A0A077Z8A6_TRITR Loading...

Neuropathy target esterase

AlphaFold DB , UniProt , Accession A0A077Z8A6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,195 aa.

						>A0A077Z8A6_TRITR|A0A077Z8A6
MSGDKNVLALSVAAGCVVVSSLLYWYRFLSSSSPYGQRQITPLNPVPSRYRFRKRDRMMYYGRKFIGKVKSAVTLEDKRQWQKLRKRERVLRFASRLFRQHKDTIAIRPPRRPPDQFVEADVASNIDEALFGHFELPFFLDVCRHIETKYFSTGQYIFQDGKIGDCIYMVQSGCLALFIKAGKVEFEVKKIEPGEPLYSSLTLLDMIKNRKRSLKNVSAKAVVDSVVLELRSTVFSAIFNKYPKSWVRTIQMILLRFQRVSLPALHNYFGFTTELMRPPGKLNCQSSLSFSPSISLNGKAKSSSLLSLSPSDFSPEDSTVEQISTSLPVGSAFFHLQDEREAKAGIFSAKLRKTVTARLAEIIELHDENALNDMITLKSYPPNHLIIQEGSMSCDLLFLHSGSLEVLKSSIDESGMAARVELVMPDELVGGLSALTNEPSFYTVRTKQQSIVAIINADNLRKFVSGIVALRTLLLVRFERFSSFVREADLALDWEICESGKALYRQGEVADSFYVVISGRLRSVFTKEPSTKTVLHEYGRGDIVSLVEVMAVQPRSTSVIAIRDTELCKLQAGLLQLVKSVYPQVLSHIIHLLGHCIGEQSESTISAVHREPFAHVANLNTIAVIAVSDEVPLTGFTVELWHSLNSIKSTHVISSNMLLEEIGPNALDRANEYQLVNWLSRLEDSYSIVLYLCDLELNRWTSVCIRRADCILIVANGESEPVVGSIEQQLEKLAVRAQKELILLWEDTIKNPKHTAEWLDLRGWVSSHYHVRFRKYLFRQRDPQKLLHLISRIAERPQKCHSDISRLARSLTSTSIGLILGGGGARGAAHVGVIKAIKELGIPIDIVGGVSIGAFVGGLYCMNNEFSNLAIKAKESFQKASSFWARIFDLTYPHSAMFTGSSLNRLLESVFDGIQIEDLWIPYFNITTDITSSEMRVHRSGKLWRYCRASMSYIGLSPPLCDPVDGHYLVDGTLWRYCRASMTLAGFAPPVCDELDGHLLLDGGYVNNLPADVMRSLGVRTVIAVDVGAVEETNFANYGDTLSGWWVLWNKINPWAKQFRVMNMAEIQSRLAYVSCVRQLEEVKKAPYCRYLRPPIDRFQTLDFKRFDEISEIGYAHGKSVLEELIVNDEYAAFFAGRSSGVSILRPQQKKRPWGLAFTSAQSFTDLAAMVAKIESRRGVTLDEGKFLFNPLAYV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.7	Very low	51	Low	238 Å²	238	118.3 Å²	118.3	100%	1.172	68%	0.676	S	S	*	*				0	19.8	0	-73.6	-158.6	161.4	0	0	114
2	S	46.9	Very low	52.2	Low	110 Å²	110	115.7 Å²	115.7	77%	0.769	66%	0.664	S	S	*	*			trans	-95.8	1.3	-176.1	47.2	0	0	0	0	115.3
3	G	47.2	Very low	53	Low	49 Å²	49	110.7 Å²	110.7	51%	0.505	65%	0.645	S	S	.	*	S	Bend	trans	-84.2	-42.3	-176.8	0	0	0	0	0	115.2	K5	G3-K5 PolarHBondContact O-N 3.01Å
4	D	49.9	Very low	53.8	Low	142 Å²	142	107 Å²	107	76%	0.759	63%	0.634	S	S	*	*	H	α-helix	trans	-77.2	-24.8	-166.2	-70.8	-30	0	0	0	114.9	N6 L8	D4-N6 VanDerWaalsContact C-N 3.33Å; D4-N6 PolarHBondContact O-N 2.91Å; D4-L8 PolarHBondContact O-N 3.22Å
5	K	46.1	Very low	54.7	Low	174 Å²	174	102.2 Å²	102.2	76%	0.757	62%	0.616	S	S	*	*	H	α-helix	trans	-69	-31.8	179	-72.8	-171.7	176.8	-177.5	0	112.7	G3 A9	G3-K5 PolarHBondContact O-N 3.01Å; K5-A9 WeakPolarHBondContact O-CB 3.39Å; K5-A9 PolarHBondContact O-N 3.37Å
6	N	49.9	Very low	55.8	Low	110 Å²	110	100.8 Å²	100.8	59%	0.588	61%	0.611	S	S	*	*	H	α-helix	trans	-73.7	-34.8	-178.6	-73.7	-6.7	0	0	0	112	D4 L10	D4-N6 VanDerWaalsContact C-N 3.33Å; D4-N6 PolarHBondContact O-N 2.91Å; N6-L10 WeakPolarHBondContact O-CB 3.19Å; N6-L10 PolarHBondContact O-N 2.86Å
7	V	56	Low	56.8	Low	100 Å²	100	100.1 Å²	100.1	61%	0.606	61%	0.606	S	S	*	*	H	α-helix	trans	-68.7	-41.7	178.3	-176.3	0	0	0	0	110.9	L10 S11	V7-L10 PolarHBondContact O-N 3.21Å; V7-S11 PolarHBondContact O-N 2.96Å
8	L	51.2	Low	57.6	Low	123 Å²	123	99.4 Å²	99.4	64%	0.644	60%	0.602	S	S	*	*	H	α-helix	trans	-64.5	-44.7	177.1	-152.2	87.5	0	0	0	111.1	D4 L10 S11 V12	D4-L8 PolarHBondContact O-N 3.22Å; L8-L10 PolarHBondContact O-N 2.8Å; L8-S11 PolarHBondContact O-N 3.34Å; L8-S11 PolarHBondContact O-OG 2.75Å; L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.48Å
9	A	55	Low	58.4	Low	62 Å²	62	98.6 Å²	98.6	51%	0.512	60%	0.598	S	S	.	*	H	α-helix	trans	-61.5	-41.1	177.5	0	0	0	0	0	112.4	K5 V12 A13	K5-A9 WeakPolarHBondContact O-CB 3.39Å; K5-A9 PolarHBondContact O-N 3.37Å; A9-V12 PolarHBondContact O-N 3.06Å; A9-A13 WeakPolarHBondContact O-CB 3.09Å; A9-A13 PolarHBondContact O-N 2.8Å
10	L	56.2	Low	58.8	Low	127 Å²	127	97 Å²	97	67%	0.665	59%	0.591	S	S	*	*	H	α-helix	trans	-64.5	-40.5	174.5	-94	153	0	0	0	112.4	N6 V7 L8 A13 A14	N6-L10 WeakPolarHBondContact O-CB 3.19Å; N6-L10 PolarHBondContact O-N 2.86Å; V7-L10 PolarHBondContact O-N 3.21Å; L8-L10 PolarHBondContact O-N 2.8Å; L10-A13 PolarHBondContact O-N 3.3Å; L10-A14 WeakPolarHBondContact O-CB 3.13Å; L10-A14 PolarHBondContact O-N 2.98Å
11	S	59.1	Low	59.2	Low	66 Å²	66	95 Å²	95	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-66	-39.1	177.8	73.8	0	0	0	0	112.4	V7 L8 G15	V7-S11 PolarHBondContact O-N 2.96Å; L8-S11 PolarHBondContact O-N 3.34Å; L8-S11 PolarHBondContact O-OG 2.75Å; S11-G15 PolarHBondContact O-N 3.33Å
12	V	64.9	Low	60.2	Low	87 Å²	87	89.2 Å²	89.2	53%	0.527	56%	0.555	S	S	.	*	H	α-helix	trans	-70.1	-41.1	176.8	175.1	0	0	0	0	110.5	L8 A9 G15 C16	L8-V12 WeakPolarHBondContact O-CG2 3.43Å; L8-V12 PolarHBondContact O-N 3.48Å; A9-V12 PolarHBondContact O-N 3.06Å; V12-G15 PolarHBondContact O-N 3.23Å; V12-C16 PolarHBondContact O-N 2.91Å; V12-C16 PolarHBondContact O-SG 3.38Å
13	A	62.5	Low	61.2	Low	51 Å²	51	88.9 Å²	88.9	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-44.9	175.2	0	0	0	0	0	111.7	A9 L10 G15 C16 V17	A9-A13 WeakPolarHBondContact O-CB 3.09Å; A9-A13 PolarHBondContact O-N 2.8Å; L10-A13 PolarHBondContact O-N 3.3Å; A13-G15 VanDerWaalsContact C-N 3.35Å; A13-G15 PolarHBondContact O-N 2.94Å; A13-C16 PolarHBondContact O-N 3.11Å; A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 3.4Å
14	A	64.5	Low	62.2	Low	59 Å²	59	94.3 Å²	94.3	49%	0.488	55%	0.55	S	S	.	.	H	α-helix	trans	-61.6	-42.4	175.6	0	0	0	0	0	111.7	L10 C16 V17 V18	L10-A14 WeakPolarHBondContact O-CB 3.13Å; L10-A14 PolarHBondContact O-N 2.98Å; A14-C16 PolarHBondContact O-N 3.22Å; A14-V17 PolarHBondContact O-N 2.8Å; A14-V18 WeakPolarHBondContact O-CG2 3.39Å; A14-V18 PolarHBondContact O-N 2.95Å; A14-V18 VanDerWaalsContact O-N 3.1Å
15	G	67.2	Low	62.5	Low	35 Å²	35	95.5 Å²	95.5	36%	0.361	54%	0.544	S	S	.	.	H	α-helix	trans	-60.1	-43.1	174.2	0	0	0	0	0	112.9	S11 V12 A13 V17 V18 V19	S11-G15 PolarHBondContact O-N 3.33Å; V12-G15 PolarHBondContact O-N 3.23Å; A13-G15 VanDerWaalsContact C-N 3.35Å; A13-G15 PolarHBondContact O-N 2.94Å; G15-V17 PolarHBondContact O-N 3.32Å; G15-V18 PolarHBondContact O-N 2.82Å; G15-V19 WeakPolarHBondContact O-CG2 3.47Å; G15-V19 PolarHBondContact O-N 2.71Å
16	C	72.5	Confident	63.2	Low	79 Å²	79	95.1 Å²	95.1	53%	0.534	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-39.1	177.6	-67.3	0	0	0	0	112.3	V12 A13 A14 V19 S20	V12-C16 PolarHBondContact O-N 2.91Å; V12-C16 PolarHBondContact O-SG 3.38Å; A13-C16 PolarHBondContact O-N 3.11Å; A14-C16 PolarHBondContact O-N 3.22Å; C16-V19 PolarHBondContact O-N 2.64Å; C16-S20 WeakPolarHBondContact O-CB 3.38Å; C16-S20 PolarHBondContact O-N 3.18Å; C16-S20 PolarHBondContact O-OG 2.64Å
17	V	72	Confident	63.5	Low	89 Å²	89	98.8 Å²	98.8	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-63.9	-42.9	176.5	173.9	0	0	0	0	111	A13 A14 G15 S20 S21	A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 3.4Å; A14-V17 PolarHBondContact O-N 2.8Å; G15-V17 PolarHBondContact O-N 3.32Å; V17-S20 PolarHBondContact O-N 3.37Å; V17-S20 PolarHBondContact O-OG 2.77Å; V17-S21 WeakPolarHBondContact O-CB 3.35Å; V17-S21 PolarHBondContact O-N 2.91Å; V17-S21 PolarHBondContact O-OG 3.18Å
18	V	72.3	Confident	63.6	Low	88 Å²	88	99.5 Å²	99.5	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-44.6	177.5	174.8	0	0	0	0	111.5	A14 G15 S21 L22	A14-V18 WeakPolarHBondContact O-CG2 3.39Å; A14-V18 PolarHBondContact O-N 2.95Å; A14-V18 VanDerWaalsContact O-N 3.1Å; G15-V18 PolarHBondContact O-N 2.82Å; V18-S21 PolarHBondContact O-N 2.86Å; V18-L22 HydrophobicContact CG1-CD1 4.11Å; V18-L22 WeakPolarHBondContact O-CG 2.82Å; V18-L22 PolarHBondContact O-N 3.14Å
19	V	72	Confident	63.4	Low	84 Å²	84	98.6 Å²	98.6	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-42.1	178.5	174.2	0	0	0	0	111.4	G15 C16 S21 L22 L23	G15-V19 WeakPolarHBondContact O-CG2 3.47Å; G15-V19 PolarHBondContact O-N 2.71Å; C16-V19 PolarHBondContact O-N 2.64Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 3.39Å; V19-L22 PolarHBondContact O-N 3.13Å; V19-L23 HydrophobicContact CG1-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.01Å; V19-L23 PolarHBondContact O-N 2.78Å
20	S	67.3	Low	63.1	Low	66 Å²	66	98.9 Å²	98.9	46%	0.462	53%	0.533	S	S	.	.	H	α-helix	trans	-63.7	-37.2	176.2	74.7	0	0	0	0	112.3	C16 V17 L23 Y24	C16-S20 WeakPolarHBondContact O-CB 3.38Å; C16-S20 PolarHBondContact O-N 3.18Å; C16-S20 PolarHBondContact O-OG 2.64Å; V17-S20 PolarHBondContact O-N 3.37Å; V17-S20 PolarHBondContact O-OG 2.77Å; S20-L23 PolarHBondContact O-N 3.09Å; S20-Y24 WeakPolarHBondContact O-CB 3.21Å; S20-Y24 PolarHBondContact O-N 3.44Å
21	S	65.9	Low	62.6	Low	56 Å²	56	97.2 Å²	97.2	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-68.1	-40.3	177.7	-58.6	0	0	0	0	111.7	V17 V18 V19 Y24 W25	V17-S21 WeakPolarHBondContact O-CB 3.35Å; V17-S21 PolarHBondContact O-N 2.91Å; V17-S21 PolarHBondContact O-OG 3.18Å; V18-S21 PolarHBondContact O-N 2.86Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 3.39Å; S21-Y24 PolarHBondContact O-N 3.05Å; S21-W25 WeakPolarHBondContact O-CB 3.3Å; S21-W25 PolarHBondContact O-N 2.87Å
22	L	65.7	Low	61.8	Low	117 Å²	117	97.4 Å²	97.4	61%	0.613	53%	0.533	S	S	*	.	H	α-helix	trans	-66.5	-41	174.8	-77	167.3	0	0	0	112.1	V18 V19 W25 Y26	V18-L22 HydrophobicContact CG1-CD1 4.11Å; V18-L22 WeakPolarHBondContact O-CG 2.82Å; V18-L22 PolarHBondContact O-N 3.14Å; V19-L22 PolarHBondContact O-N 3.13Å; L22-W25 PolarHBondContact O-N 3.38Å; L22-Y26 WeakPolarHBondContact O-CB 3.44Å; L22-Y26 PolarHBondContact O-N 2.67Å
23	L	67	Low	60.6	Low	102 Å²	102	96.1 Å²	96.1	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-38.7	174.5	-86.5	161.7	0	0	0	112.2	V19 S20 Y26 R27	V19-L23 HydrophobicContact CG1-CD1 4.05Å; V19-L23 WeakPolarHBondContact O-CB 3.01Å; V19-L23 PolarHBondContact O-N 2.78Å; S20-L23 PolarHBondContact O-N 3.09Å; L23-Y26 PolarHBondContact O-N 2.89Å; L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 PolarHBondContact O-N 3.35Å
24	Y	70.1	Confident	59.5	Low	164 Å²	164	99.5 Å²	99.5	64%	0.643	55%	0.546	S	S	*	.	H	α-helix	trans	-64.7	-44.8	174.4	-173.2	-93.8	0	0	0	111.3	S20 S21 Y26 R27 F28	S20-Y24 WeakPolarHBondContact O-CB 3.21Å; S20-Y24 PolarHBondContact O-N 3.44Å; S21-Y24 PolarHBondContact O-N 3.05Å; Y24-Y26 PolarHBondContact O-N 2.89Å; Y24-R27 PolarHBondContact O-N 3.05Å; Y24-F28 WeakPolarHBondContact O-CB 3.29Å; Y24-F28 PolarHBondContact O-N 3.19Å
25	W	55.4	Low	58.3	Low	167 Å²	167	106.9 Å²	106.9	63%	0.633	56%	0.563	S	S	*	*	H	α-helix	trans	-61.9	-42.1	174.5	-99.5	77.4	0	0	0	112.6	S21 L22 F28 L29	S21-W25 WeakPolarHBondContact O-CB 3.3Å; S21-W25 PolarHBondContact O-N 2.87Å; L22-W25 PolarHBondContact O-N 3.38Å; W25-F28 PolarHBondContact O-N 3.26Å; W25-L29 HydrophobicContact CE3-CD1 3.92Å; W25-L29 HydrophobicContact CE3-CG 4.46Å; W25-L29 HydrophobicContact CZ3-CD1 4.46Å; W25-L29 WeakPolarHBondContact O-CB 3.48Å; W25-L29 WeakPolarHBondContact O-CG 3.44Å; W25-L29 PolarHBondContact O-N 3.11Å
26	Y	61.5	Low	56.6	Low	166 Å²	166	108.1 Å²	108.1	65%	0.651	58%	0.575	S	S	*	*	H	α-helix	trans	-63.3	-44.4	175.8	-175	-96.9	0	0	0	111.4	L22 L23 Y24 L29 S30	L22-Y26 WeakPolarHBondContact O-CB 3.44Å; L22-Y26 PolarHBondContact O-N 2.67Å; L23-Y26 PolarHBondContact O-N 2.89Å; Y24-Y26 PolarHBondContact O-N 2.89Å; Y26-L29 PolarHBondContact O-N 3.45Å; Y26-S30 VanDerWaalsContact O-CB 3.28Å; Y26-S30 WeakPolarHBondContact O-CB 3.25Å; Y26-S30 PolarHBondContact O-N 2.7Å; Y26-S30 PolarHBondContact O-OG 3.03Å
27	R	55.3	Low	54.7	Low	187 Å²	187	113.5 Å²	113.5	71%	0.706	59%	0.593	S	S	*	*	H	α-helix	trans	-63.2	-44.4	174.7	-84.7	-172.9	165.7	178.3	-2.9	112.1	L23 Y24 L29 S30 S31	L23-R27 WeakPolarHBondContact O-CB 3.46Å; L23-R27 PolarHBondContact O-N 3.35Å; Y24-R27 PolarHBondContact O-N 3.05Å; R27-L29 PolarHBondContact O-N 3.08Å; R27-S30 WeakPolarHBondContact CA-OG 3.48Å; R27-S30 PolarHBondContact O-N 2.75Å; R27-S30 PolarHBondContact O-OG 2.89Å; R27-S31 WeakPolarHBondContact O-CB 3.39Å; R27-S31 PolarHBondContact O-N 3.03Å; R27-S31 PolarHBondContact O-OG 2.87Å
28	F	58.2	Low	52.7	Low	115 Å²	115	120.6 Å²	120.6	50%	0.504	61%	0.61	S	S	.	*	H	α-helix	trans	-60.2	-46.8	177.9	-172.8	-98.2	0	0	0	111.6	Y24 W25 S31 S32	Y24-F28 WeakPolarHBondContact O-CB 3.29Å; Y24-F28 PolarHBondContact O-N 3.19Å; W25-F28 PolarHBondContact O-N 3.26Å; F28-S31 PolarHBondContact O-N 2.89Å; F28-S31 PolarHBondContact O-OG 2.81Å; F28-S32 WeakPolarHBondContact O-CB 3.44Å; F28-S32 PolarHBondContact O-N 2.63Å; F28-S32 VanDerWaalsContact O-N 3.08Å; F28-S32 PolarHBondContact O-OG 3Å
29	L	48	Very low	50.7	Low	103 Å²	103	125 Å²	125	54%	0.539	62%	0.624	S	S	.	*	H	α-helix	trans	-65.7	-39.3	175.8	-76.6	164	0	0	0	112.3	W25 Y26 R27 S32 S33	W25-L29 HydrophobicContact CE3-CD1 3.92Å; W25-L29 HydrophobicContact CE3-CG 4.46Å; W25-L29 HydrophobicContact CZ3-CD1 4.46Å; W25-L29 WeakPolarHBondContact O-CB 3.48Å; W25-L29 WeakPolarHBondContact O-CG 3.44Å; W25-L29 PolarHBondContact O-N 3.11Å; Y26-L29 PolarHBondContact O-N 3.45Å; R27-L29 PolarHBondContact O-N 3.08Å; L29-S32 PolarHBondContact O-N 3.29Å; L29-S33 PolarHBondContact O-N 2.71Å
30	S	47.5	Very low	48.7	Very low	68 Å²	68	128.9 Å²	128.9	48%	0.476	64%	0.641	S	S	.	*	H	α-helix	trans	-67.2	-35.7	176.9	72.9	0	0	0	0	112.4	Y26 R27 S32	Y26-S30 VanDerWaalsContact O-CB 3.28Å; Y26-S30 WeakPolarHBondContact O-CB 3.25Å; Y26-S30 PolarHBondContact O-N 2.7Å; Y26-S30 PolarHBondContact O-OG 3.03Å; R27-S30 WeakPolarHBondContact CA-OG 3.48Å; R27-S30 PolarHBondContact O-N 2.75Å; R27-S30 PolarHBondContact O-OG 2.89Å; S30-S32 VanDerWaalsContact C-N 3.29Å; S30-S32 PolarHBondContact O-N 2.85Å
31	S	46.5	Very low	47	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	65%	0.65	S	S	*	*	H	α-helix	trans	-73.4	-22	175.5	71.1	0	0	0	0	113.1	R27 F28	R27-S31 WeakPolarHBondContact O-CB 3.39Å; R27-S31 PolarHBondContact O-N 3.03Å; R27-S31 PolarHBondContact O-OG 2.87Å; F28-S31 PolarHBondContact O-N 2.89Å; F28-S31 PolarHBondContact O-OG 2.81Å
32	S	41.9	Very low	45.4	Very low	69 Å²	69	134 Å²	134	48%	0.483	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.9	4.3	179.8	-53	0	0	0	0	113.3	F28 L29 S30 P34	F28-S32 WeakPolarHBondContact O-CB 3.44Å; F28-S32 PolarHBondContact O-N 2.63Å; F28-S32 VanDerWaalsContact O-N 3.08Å; F28-S32 PolarHBondContact O-OG 3Å; L29-S32 PolarHBondContact O-N 3.29Å; S30-S32 VanDerWaalsContact C-N 3.29Å; S30-S32 PolarHBondContact O-N 2.85Å; S32-P34 VanDerWaalsContact O-CD 3.23Å; S32-P34 WeakPolarHBondContact O-CD 3.25Å
33	S	38.8	Very low	43.9	Very low	61 Å²	61	136.2 Å²	136.2	43%	0.427	68%	0.681	S	S	.	*			trans	-79.4	110.8	175	169.7	0	0	0	0	109.7	L29 Y35	L29-S33 PolarHBondContact O-N 2.71Å; S33-Y35 PolarHBondContact O-N 3.09Å; S33-Y35 WeakPolarHBondContact OG-CD2 3.23Å
34	P	39.4	Very low	42.3	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	69%	0.691	S	S	*	*			trans	-77.6	20.8	178.2	34.1	-33.6	0	0	0	112.5	S32 G36	S32-P34 VanDerWaalsContact O-CD 3.23Å; S32-P34 WeakPolarHBondContact O-CD 3.25Å; P34-G36 PolarHBondContact O-N 3.31Å
35	Y	39.3	Very low	40.7	Very low	215 Å²	215	136.1 Å²	136.1	84%	0.843	70%	0.699	S	S	*	*			trans	-79.8	55.4	173.4	-72.7	-83.7	0	0	0	111	S33 Q37	S33-Y35 PolarHBondContact O-N 3.09Å; S33-Y35 WeakPolarHBondContact OG-CD2 3.23Å; Y35-Q37 PolarHBondContact O-N 3.19Å
36	G	32.8	Very low	39.7	Very low	61 Å²	61	133.9 Å²	133.9	63%	0.629	70%	0.703	S	S	*	*			trans	-68	109.9	158.5	0	0	0	0	0	108.6	P34 R38	P34-G36 PolarHBondContact O-N 3.31Å; G36-R38 PolarHBondContact O-N 2.78Å
37	Q	32.4	Very low	38.6	Very low	191 Å²	191	131.4 Å²	131.4	89%	0.893	71%	0.707	S	S	*	*			trans	19.8	74.6	155	-72.9	169.8	-26.8	0	0	115.5	Y35 Q39	Y35-Q37 PolarHBondContact O-N 3.19Å; Q37-Q39 PolarHBondContact O-N 2.86Å; Q37-Q39 VanDerWaalsContact O-N 3.1Å
38	R	28.9	Very low	37.7	Very low	239 Å²	239	127 Å²	127	90%	0.902	71%	0.705	S	S	*	*			trans	-74.1	100.8	156.8	-85.4	-175.2	175.7	174	-0.6	107.1	G36 I40	G36-R38 PolarHBondContact O-N 2.78Å; R38-I40 PolarHBondContact O-N 3.31Å
39	Q	30.5	Very low	36.6	Very low	179 Å²	179	133.2 Å²	133.2	84%	0.836	73%	0.725	S	S	*	*			trans	-45.3	123.7	163.7	-79.9	176.5	-18.6	0	0	108.6	Q37 T41	Q37-Q39 PolarHBondContact O-N 2.86Å; Q37-Q39 VanDerWaalsContact O-N 3.1Å; Q39-T41 VanDerWaalsContact C-N 3.27Å; Q39-T41 PolarHBondContact O-N 2.79Å
40	I	31.6	Very low	36.1	Very low	167 Å²	167	138.7 Å²	138.7	86%	0.856	74%	0.74	S	S	*	*			trans	-73.3	84.2	-177.3	-57.8	166.1	0	0	0	106.9	R38	R38-I40 PolarHBondContact O-N 3.31Å
41	T	30.6	Very low	35.7	Very low	108 Å²	108	146.8 Å²	146.8	66%	0.663	76%	0.76	S	S	*	*			trans	-77.2	132	161.2	41.7	0	0	0	0	108.4	Q39 L43	Q39-T41 VanDerWaalsContact C-N 3.27Å; Q39-T41 PolarHBondContact O-N 2.79Å; T41-L43 PolarHBondContact O-N 2.7Å; T41-L43 VanDerWaalsContact O-N 3.07Å
42	P	32.4	Very low	35.2	Very low	121 Å²	121	147.2 Å²	147.2	79%	0.786	75%	0.751	S	S	*	*			trans	-63.3	113.3	-172.8	25.2	-32.2	0	0	0	109.8	N44	P42-N44 PolarHBondContact O-N 3.03Å
43	L	34.1	Very low	35.4	Very low	164 Å²	164	150.7 Å²	150.7	86%	0.859	75%	0.753	S	S	*	*			trans	-70.2	109	177.7	-86.4	149.4	0	0	0	109.1	T41	T41-L43 PolarHBondContact O-N 2.7Å; T41-L43 VanDerWaalsContact O-N 3.07Å
44	N	33.1	Very low	36.1	Very low	141 Å²	141	157 Å²	157	75%	0.754	77%	0.773	S	S	*	*			trans	-51.6	140.6	163	-81.3	-29.4	0	0	0	110	P42 V46	P42-N44 PolarHBondContact O-N 3.03Å; N44-V46 PolarHBondContact O-N 3.17Å
45	P	36.1	Very low	36.7	Very low	123 Å²	123	155.9 Å²	155.9	80%	0.799	75%	0.753	S	S	*	*			trans	-67.4	101.2	-168.9	27.1	-33.9	0	0	0	110.4
46	V	36	Very low	37.1	Very low	120 Å²	120	147.9 Å²	147.9	73%	0.727	73%	0.725	S	S	*	*			trans	-72.5	123.6	170.8	-177	0	0	0	0	107.3	N44 S48	N44-V46 PolarHBondContact O-N 3.17Å; V46-S48 PolarHBondContact O-N 2.98Å
47	P	37.7	Very low	38.2	Very low	113 Å²	113	151.5 Å²	151.5	73%	0.734	72%	0.72	S	S	*	*			trans	-62.1	111.8	-179.3	23.4	-31.5	0	0	0	108.9	R49	P47-R49 PolarHBondContact O-N 3.33Å
48	S	37	Very low	39.4	Very low	94 Å²	94	148.7 Å²	148.7	66%	0.657	71%	0.708	S	S	*	*			trans	-58.1	107.6	176.3	57	0	0	0	0	108.4	V46 Y50	V46-S48 PolarHBondContact O-N 2.98Å; S48-Y50 VanDerWaalsContact C-N 3.34Å; S48-Y50 PolarHBondContact O-N 2.96Å
49	R	33.8	Very low	40.7	Very low	246 Å²	246	140 Å²	140	93%	0.928	68%	0.678	S	S	*	*			trans	-57.9	99.9	169.3	-79.3	179.3	173.8	174.9	-1.6	107.3	P47 R51	P47-R49 PolarHBondContact O-N 3.33Å; R49-R51 PolarHBondContact O-N 2.82Å
50	Y	38.5	Very low	42.4	Very low	219 Å²	219	137 Å²	137	86%	0.859	66%	0.66	S	S	*	*			trans	-54	99.5	178.2	-106.8	-94.1	0	0	0	109.5	S48 F52	S48-Y50 VanDerWaalsContact C-N 3.34Å; S48-Y50 PolarHBondContact O-N 2.96Å; Y50-F52 PolarHBondContact O-N 2.91Å
51	R	38.8	Very low	43.9	Very low	237 Å²	237	135.4 Å²	135.4	89%	0.894	64%	0.644	S	S	*	*			trans	-87.4	98.7	176.1	-176	175.8	166.1	172.2	-4.6	107.6	R49 R53	R49-R51 PolarHBondContact O-N 2.82Å; R51-R53 PolarHBondContact O-N 3.32Å; R51-R53 VanDerWaalsContact O-N 3.11Å
52	F	35.2	Very low	45.6	Very low	102 Å²	102	130.8 Å²	130.8	45%	0.447	62%	0.618	S	S	.	*			trans	-48.1	118	170.8	-120.5	-87.9	0	0	0	110.4	Y50 D56 R57	Y50-F52 PolarHBondContact O-N 2.91Å; F52-D56 HydrophobicContact CD1-CB 3.97Å; F52-D56 HydrophobicContact CE1-CB 3.97Å; F52-R57 HydrophobicContact CB-CG 3.9Å; F52-R57 HydrophobicContact CD1-CB 4.09Å; F52-R57 HydrophobicContact CD1-CG 3.66Å; F52-R57 HydrophobicContact CE1-CG 4.48Å; F52-R57 HydrophobicContact CG-CG 4.02Å
53	R	47.6	Very low	46.9	Very low	143 Å²	143	131.5 Å²	131.5	54%	0.54	61%	0.605	S	S	.	*			trans	-59.2	146.6	173	-85	178.2	169	162.9	0.1	109.3	R51 R55 D56 R57	R51-R53 PolarHBondContact O-N 3.32Å; R51-R53 VanDerWaalsContact O-N 3.11Å; R53-R55 PolarHBondContact O-N 3.15Å; R53-D56 HydrophobicContact CB-CB 4.5Å; R53-D56 PolarHBondContact O-N 3.46Å; R53-D56 VanDerWaalsContact O-N 3.12Å; R53-R57 WeakPolarHBondContact O-CB 3.37Å; R53-R57 PolarHBondContact O-N 3.12Å
54	K	51.9	Low	48.2	Very low	193 Å²	193	128.8 Å²	128.8	84%	0.839	59%	0.586	S	S	*	*	H	α-helix	trans	-53.6	-38.8	176.5	-90.6	-175.5	175.9	179.9	0	111.8	M58	K54-M58 WeakPolarHBondContact O-CB 3.44Å; K54-M58 PolarHBondContact O-N 3.03Å
55	R	52.3	Low	49.8	Very low	98 Å²	98	128.1 Å²	128.1	37%	0.37	58%	0.577	S	S	.	*	H	α-helix	trans	-64.4	-46.7	177.5	97.7	177.5	-178.3	178.1	0.7	112	R53 R57 M58 M59 V970 D971	R53-R55 PolarHBondContact O-N 3.15Å; R55-R57 VanDerWaalsContact C-N 3.32Å; R55-R57 PolarHBondContact O-N 3.33Å; R55-M58 CarbonylContact O-C 3.53Å; R55-M58 WeakPolarHBondContact O-CA 3.43Å; R55-M58 WeakPolarHBondContact O-CB 3.41Å; R55-M58 PolarHBondContact O-N 3.17Å; R55-M58 VanDerWaalsContact O-N 3.07Å; R55-M59 PolarHBondContact O-N 3.15Å; R55-V970 PolarHBondContact NH2-O 3.2Å; R55-D971 IonicContact CZ-OD2 3.26Å; R55-D971 IonicContact NE-OD2 3.88Å; R55-D971 PolarHBondContact NE-OD2 2.79Å; R55-D971 IonicContact NH1-OD2 3.8Å; R55-D971 PolarHBondContact NH1-OD2 2.85Å; R55-D971 IonicContact NH2-OD2 3.32Å; R55-D971 PolarHBondContact NH2-OD2 2.95Å
56	D	48.6	Very low	50.8	Low	47 Å²	47	123.8 Å²	123.8	25%	0.251	55%	0.547	S	S	.	.	H	α-helix	trans	-72.9	-33.9	-175.6	-56.3	-27.1	0	0	0	109.9	F52 R53 M58 M59 Y60	F52-D56 HydrophobicContact CD1-CB 3.97Å; F52-D56 HydrophobicContact CE1-CB 3.97Å; R53-D56 HydrophobicContact CB-CB 4.5Å; R53-D56 PolarHBondContact O-N 3.46Å; R53-D56 VanDerWaalsContact O-N 3.12Å; D56-M58 VanDerWaalsContact C-N 3.31Å; D56-M59 PolarHBondContact O-N 2.76Å; D56-Y60 WeakPolarHBondContact O-CB 3.47Å; D56-Y60 PolarHBondContact O-N 3.28Å
57	R	54.9	Low	51.8	Low	137 Å²	137	119.8 Å²	119.8	52%	0.517	53%	0.53	S	S	.	.	H	α-helix	trans	-59.2	-46.4	168.2	-110.4	176.6	-171.6	-175.4	4	109.9	F52 R53 R55 Y60 Y61	F52-R57 HydrophobicContact CB-CG 3.9Å; F52-R57 HydrophobicContact CD1-CB 4.09Å; F52-R57 HydrophobicContact CD1-CG 3.66Å; F52-R57 HydrophobicContact CE1-CG 4.48Å; F52-R57 HydrophobicContact CG-CG 4.02Å; R53-R57 WeakPolarHBondContact O-CB 3.37Å; R53-R57 PolarHBondContact O-N 3.12Å; R55-R57 VanDerWaalsContact C-N 3.32Å; R55-R57 PolarHBondContact O-N 3.33Å; R57-Y60 PolarHBondContact O-N 3.2Å; R57-Y61 HydrophobicContact CB-CD2 4.2Å; R57-Y61 HydrophobicContact CB-CE2 4.25Å; R57-Y61 HydrophobicContact CG-CD2 4.21Å; R57-Y61 HydrophobicContact CG-CE2 3.78Å; R57-Y61 VanDerWaalsContact O-CB 3.29Å; R57-Y61 WeakPolarHBondContact O-CB 3.46Å; R57-Y61 WeakPolarHBondContact O-CD2 3.36Å; R57-Y61 PolarHBondContact O-N 3.08Å
58	M	57.3	Low	52.8	Low	131 Å²	131	121.2 Å²	121.2	65%	0.645	53%	0.525	S	S	*	.	H	α-helix	trans	-64.5	-39.3	178.9	-165.1	179.7	178.8	0	0	111.9	K54 R55 D56 G62	K54-M58 WeakPolarHBondContact O-CB 3.44Å; K54-M58 PolarHBondContact O-N 3.03Å; R55-M58 CarbonylContact O-C 3.53Å; R55-M58 WeakPolarHBondContact O-CA 3.43Å; R55-M58 WeakPolarHBondContact O-CB 3.41Å; R55-M58 PolarHBondContact O-N 3.17Å; R55-M58 VanDerWaalsContact O-N 3.07Å; D56-M58 VanDerWaalsContact C-N 3.31Å; M58-G62 WeakPolarHBondContact O-CA 3.41Å; M58-G62 PolarHBondContact O-N 3.18Å
59	M	57.1	Low	53.8	Low	56 Å²	56	117.7 Å²	117.7	28%	0.276	50%	0.499	S	S	.	.	H	α-helix	trans	-66.6	-45.3	173.6	-75	-70.1	-99.1	0	0	112.1	R55 D56 G62 R63 F98	R55-M59 PolarHBondContact O-N 3.15Å; D56-M59 PolarHBondContact O-N 2.76Å; M59-G62 PolarHBondContact O-N 2.85Å; M59-R63 WeakPolarHBondContact O-CB 3.44Å; M59-R63 WeakPolarHBondContact O-CG 3.24Å; M59-R63 PolarHBondContact O-N 3.2Å; M59-F98 HydrophobicContact CE-CD1 4.48Å; M59-F98 HydrophobicContact SD-CD1 3.42Å; M59-F98 WeakPolarHBondContact SD-CD1 3.23Å; M59-F98 HydrophobicContact SD-CE1 3.51Å; M59-F98 VanDerWaalsContact SD-CE1 3.51Å
60	Y	65.6	Low	54.8	Low	118 Å²	118	112.2 Å²	112.2	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-62.4	-50.4	177	175.3	-96	0	0	0	111.3	D56 R57 G62 R63 K64	D56-Y60 WeakPolarHBondContact O-CB 3.47Å; D56-Y60 PolarHBondContact O-N 3.28Å; R57-Y60 PolarHBondContact O-N 3.2Å; Y60-G62 VanDerWaalsContact C-N 3.32Å; Y60-G62 PolarHBondContact O-N 3.11Å; Y60-R63 PolarHBondContact O-N 2.81Å; Y60-K64 HydrophobicContact CE1-CD 4.16Å; Y60-K64 VanDerWaalsContact O-CB 3.3Å; Y60-K64 WeakPolarHBondContact O-CB 3.48Å; Y60-K64 PolarHBondContact O-N 3.19Å
61	Y	63.9	Low	55.4	Low	133 Å²	133	105.2 Å²	105.2	52%	0.522	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-36.4	175.9	-73.8	-59.7	0	0	0	111.6	R57 K64 F65	R57-Y61 HydrophobicContact CB-CD2 4.2Å; R57-Y61 HydrophobicContact CB-CE2 4.25Å; R57-Y61 HydrophobicContact CG-CD2 4.21Å; R57-Y61 HydrophobicContact CG-CE2 3.78Å; R57-Y61 VanDerWaalsContact O-CB 3.29Å; R57-Y61 WeakPolarHBondContact O-CB 3.46Å; R57-Y61 WeakPolarHBondContact O-CD2 3.36Å; R57-Y61 PolarHBondContact O-N 3.08Å; Y61-K64 PolarHBondContact O-N 2.98Å; Y61-F65 WeakPolarHBondContact O-CB 3.31Å; Y61-F65 PolarHBondContact O-N 3.24Å
62	G	65.1	Low	56.2	Low	11 Å²	11	95.9 Å²	95.9	11%	0.113	44%	0.439	C	S	.	.	H	α-helix	trans	-62	-47	174.6	0	0	0	0	0	112.4	M58 M59 Y60 F65 I66	M58-G62 WeakPolarHBondContact O-CA 3.41Å; M58-G62 PolarHBondContact O-N 3.18Å; M59-G62 PolarHBondContact O-N 2.85Å; Y60-G62 VanDerWaalsContact C-N 3.32Å; Y60-G62 PolarHBondContact O-N 3.11Å; G62-F65 PolarHBondContact O-N 2.92Å; G62-I66 WeakPolarHBondContact O-CG1 3.37Å; G62-I66 PolarHBondContact O-N 2.67Å
63	R	60.8	Low	57	Low	135 Å²	135	94.2 Å²	94.2	51%	0.509	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-45.4	173.5	-76.1	-177.8	178.4	-173.7	-1.7	112.1	M59 Y60 F65 I66 G67	M59-R63 WeakPolarHBondContact O-CB 3.44Å; M59-R63 WeakPolarHBondContact O-CG 3.24Å; M59-R63 PolarHBondContact O-N 3.2Å; Y60-R63 PolarHBondContact O-N 2.81Å; R63-F65 VanDerWaalsContact C-N 3.26Å; R63-F65 PolarHBondContact O-N 2.86Å; R63-I66 PolarHBondContact O-N 2.89Å; R63-G67 PolarHBondContact O-N 3.45Å
64	K	61.7	Low	57.2	Low	107 Å²	107	92.8 Å²	92.8	47%	0.465	44%	0.444	S	S	.	.	H	α-helix	trans	-61.3	-37	176.4	-168.8	173.1	-174.9	171.4	0	111.2	Y60 Y61 K68	Y60-K64 HydrophobicContact CE1-CD 4.16Å; Y60-K64 VanDerWaalsContact O-CB 3.3Å; Y60-K64 WeakPolarHBondContact O-CB 3.48Å; Y60-K64 PolarHBondContact O-N 3.19Å; Y61-K64 PolarHBondContact O-N 2.98Å; K64-K68 WeakPolarHBondContact O-CG 3.42Å; K64-K68 PolarHBondContact O-N 2.92Å
65	F	65.3	Low	56.9	Low	128 Å²	128	90 Å²	90	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-69	-47.6	174.3	-163.2	-92.2	0	0	0	111.3	Y61 G62 R63 G67 K68 V69	Y61-F65 WeakPolarHBondContact O-CB 3.31Å; Y61-F65 PolarHBondContact O-N 3.24Å; G62-F65 PolarHBondContact O-N 2.92Å; R63-F65 VanDerWaalsContact C-N 3.26Å; R63-F65 PolarHBondContact O-N 2.86Å; F65-G67 VanDerWaalsContact C-N 3.31Å; F65-G67 PolarHBondContact O-N 2.84Å; F65-K68 PolarHBondContact O-N 2.91Å; F65-V69 HydrophobicContact CD1-CG2 3.76Å; F65-V69 HydrophobicContact CE1-CG2 3.6Å; F65-V69 HydrophobicContact CZ-CG2 4.28Å; F65-V69 VanDerWaalsContact O-CG2 3.3Å; F65-V69 WeakPolarHBondContact O-CG2 3.29Å; F65-V69 PolarHBondContact O-N 3.44Å
66	I	58	Low	56.5	Low	31 Å²	31	94.3 Å²	94.3	16%	0.159	46%	0.462	C	S	.	.	H	α-helix	trans	-57	-44.5	174.2	-72.5	163.8	0	0	0	111.2	G62 R63 K68 V69 K70 A94 F98	G62-I66 WeakPolarHBondContact O-CG1 3.37Å; G62-I66 PolarHBondContact O-N 2.67Å; R63-I66 PolarHBondContact O-N 2.89Å; I66-K68 PolarHBondContact O-N 2.76Å; I66-V69 PolarHBondContact O-N 2.77Å; I66-K70 HydrophobicContact CG2-CD 4.35Å; I66-K70 HydrophobicContact CG2-CG 4.36Å; I66-K70 WeakPolarHBondContact O-CB 3.26Å; I66-K70 PolarHBondContact O-N 2.76Å; I66-A94 HydrophobicContact CD1-CB 4.03Å; I66-A94 HydrophobicContact CG1-CB 3.98Å; I66-F98 HydrophobicContact CD1-CB 3.86Å; I66-F98 HydrophobicContact CD1-CD2 3.43Å; I66-F98 VanDerWaalsContact CD1-CD2 3.43Å; I66-F98 HydrophobicContact CD1-CE2 4.16Å; I66-F98 HydrophobicContact CD1-CG 3.8Å; I66-F98 HydrophobicContact CG1-CD2 4.5Å
67	G	56.4	Low	56.4	Low	37 Å²	37	98.2 Å²	98.2	38%	0.381	48%	0.483	S	S	.	.	H	α-helix	trans	-59.5	-45.4	177.3	0	0	0	0	0	111.9	R63 F65 S71	R63-G67 PolarHBondContact O-N 3.45Å; F65-G67 VanDerWaalsContact C-N 3.31Å; F65-G67 PolarHBondContact O-N 2.84Å; G67-S71 PolarHBondContact O-N 2.77Å; G67-S71 PolarHBondContact O-OG 3.33Å
68	K	58.5	Low	55.9	Low	142 Å²	142	100.5 Å²	100.5	62%	0.617	50%	0.496	S	S	*	.	H	α-helix	trans	-64.3	-38.3	173.8	-78.9	-172.2	174.7	-169.7	0	113.2	K64 F65 I66 S71 A72	K64-K68 WeakPolarHBondContact O-CG 3.42Å; K64-K68 PolarHBondContact O-N 2.92Å; F65-K68 PolarHBondContact O-N 2.91Å; I66-K68 PolarHBondContact O-N 2.76Å; K68-S71 WeakPolarHBondContact CA-OG 3.38Å; K68-S71 PolarHBondContact O-OG 2.95Å; K68-A72 WeakPolarHBondContact O-CB 3.31Å; K68-A72 PolarHBondContact O-N 2.87Å
69	V	58.6	Low	55.5	Low	20 Å²	20	106.1 Å²	106.1	12%	0.121	51%	0.511	C	S	.	.	H	α-helix	trans	-73	-40.7	178.7	-176.3	0	0	0	0	110.5	F65 I66 S71 A72 V73 L91	F65-V69 HydrophobicContact CD1-CG2 3.76Å; F65-V69 HydrophobicContact CE1-CG2 3.6Å; F65-V69 HydrophobicContact CZ-CG2 4.28Å; F65-V69 VanDerWaalsContact O-CG2 3.3Å; F65-V69 WeakPolarHBondContact O-CG2 3.29Å; F65-V69 PolarHBondContact O-N 3.44Å; I66-V69 PolarHBondContact O-N 2.77Å; V69-S71 PolarHBondContact O-N 3.04Å; V69-A72 PolarHBondContact O-N 3.48Å; V69-V73 HydrophobicContact CG1-CG2 4.37Å; V69-V73 VanDerWaalsContact O-CG2 3.24Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 2.99Å; V69-L91 HydrophobicContact CB-CD1 3.86Å; V69-L91 HydrophobicContact CG1-CD1 3.41Å; V69-L91 VanDerWaalsContact CG1-CD1 3.41Å
70	K	54.9	Low	55	Low	132 Å²	132	107.7 Å²	107.7	57%	0.574	52%	0.517	S	S	*	.	H	α-helix	trans	-58.8	-45.9	174.1	-83.5	-170.8	173.7	-173.6	0	111.8	I66 A72 V73 L91	I66-K70 HydrophobicContact CG2-CD 4.35Å; I66-K70 HydrophobicContact CG2-CG 4.36Å; I66-K70 WeakPolarHBondContact O-CB 3.26Å; I66-K70 PolarHBondContact O-N 2.76Å; K70-A72 VanDerWaalsContact C-N 3.31Å; K70-A72 PolarHBondContact O-N 3.42Å; K70-V73 PolarHBondContact O-N 3.25Å; K70-L91 HydrophobicContact CG-CD1 4.12Å; K70-L91 HydrophobicContact CG-CD2 4.35Å
71	S	51.7	Low	53.8	Low	71 Å²	71	110.5 Å²	110.5	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-70.2	-23	177.4	42.4	0	0	0	0	113.9	G67 K68 V69 T74	G67-S71 PolarHBondContact O-N 2.77Å; G67-S71 PolarHBondContact O-OG 3.33Å; K68-S71 WeakPolarHBondContact CA-OG 3.38Å; K68-S71 PolarHBondContact O-OG 2.95Å; V69-S71 PolarHBondContact O-N 3.04Å; S71-T74 PolarHBondContact O-OG1 2.79Å
72	A	54	Low	53.1	Low	42 Å²	42	112.9 Å²	112.9	35%	0.347	54%	0.543	S	S	.	.	H	α-helix	trans	-85.1	-17.8	173	0	0	0	0	0	113.6	K68 V69 K70	K68-A72 WeakPolarHBondContact O-CB 3.31Å; K68-A72 PolarHBondContact O-N 2.87Å; V69-A72 PolarHBondContact O-N 3.48Å; K70-A72 VanDerWaalsContact C-N 3.31Å; K70-A72 PolarHBondContact O-N 3.42Å
73	V	52.9	Low	52.3	Low	67 Å²	67	118.5 Å²	118.5	41%	0.406	56%	0.564	S	S	.	*	H	α-helix	trans	-75.1	-17.8	175.1	169.5	0	0	0	0	111.3	V69 K70 L75	V69-V73 HydrophobicContact CG1-CG2 4.37Å; V69-V73 VanDerWaalsContact O-CG2 3.24Å; V69-V73 WeakPolarHBondContact O-CG2 3.41Å; V69-V73 PolarHBondContact O-N 2.99Å; K70-V73 PolarHBondContact O-N 3.25Å; V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3.04Å
74	T	51.2	Low	51.8	Low	112 Å²	112	115 Å²	115	69%	0.687	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	12.8	178	42.4	0	0	0	0	115	S71	S71-T74 PolarHBondContact O-OG1 2.79Å
75	L	46.2	Very low	51.5	Low	135 Å²	135	117.5 Å²	117.5	71%	0.707	56%	0.562	S	S	*	*			trans	-103.6	120.9	176.7	-97.6	137.6	0	0	0	111.6	V73 D77	V73-L75 VanDerWaalsContact C-N 3.3Å; V73-L75 PolarHBondContact O-N 3.04Å; L75-D77 VanDerWaalsContact C-N 3.26Å; L75-D77 PolarHBondContact O-N 3.4Å
76	E	44.8	Very low	50.8	Low	188 Å²	188	118.8 Å²	118.8	88%	0.879	57%	0.567	S	S	*	*			trans	-71	16.9	-162.5	-68.5	-173.7	135.8	0	0	117.6	K78	E76-K78 PolarHBondContact O-N 3.04Å; E76-K78 VanDerWaalsContact O-N 3.08Å
77	D	45.7	Very low	50.7	Low	130 Å²	130	122.7 Å²	122.7	70%	0.695	58%	0.58	S	S	*	*			trans	-82.2	100.4	-173.4	-88.6	-30.6	0	0	0	114	L75 R79 Q80	L75-D77 VanDerWaalsContact C-N 3.26Å; L75-D77 PolarHBondContact O-N 3.4Å; D77-R79 PolarHBondContact O-N 2.84Å; D77-Q80 PolarHBondContact O-N 2.82Å
78	K	44.4	Very low	50.7	Low	184 Å²	184	125.5 Å²	125.5	80%	0.8	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-52.1	-20.2	179.4	-71.7	-178.6	177.3	175.5	0	115.2	E76 Q80	E76-K78 PolarHBondContact O-N 3.04Å; E76-K78 VanDerWaalsContact O-N 3.08Å; K78-Q80 VanDerWaalsContact C-N 3.27Å; K78-Q80 PolarHBondContact O-N 2.8Å
79	R	48.8	Very low	50.8	Low	250 Å²	250	126.4 Å²	126.4	94%	0.943	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-75.9	-3.5	-175.9	-75.5	-175.6	175.9	-178.9	-0.3	115	D77	D77-R79 PolarHBondContact O-N 2.84Å
80	Q	46.5	Very low	50.8	Low	88 Å²	88	129.1 Å²	129.1	41%	0.411	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-112.7	27.8	-179.9	-72.6	-164.9	14.3	0	0	115.4	D77 K78 Q82 K83 L84	D77-Q80 PolarHBondContact O-N 2.82Å; K78-Q80 VanDerWaalsContact C-N 3.27Å; K78-Q80 PolarHBondContact O-N 2.8Å; Q80-Q82 VanDerWaalsContact C-N 3.29Å; Q80-Q82 PolarHBondContact O-N 3.31Å; Q80-Q82 VanDerWaalsContact O-N 3.15Å; Q80-K83 HydrophobicContact CB-CB 4.27Å; Q80-K83 HydrophobicContact CG-CD 4.48Å; Q80-K83 PolarHBondContact O-N 3.46Å; Q80-L84 PolarHBondContact O-N 3.46Å
81	W	39.9	Very low	51.1	Low	178 Å²	178	124.8 Å²	124.8	67%	0.674	58%	0.582	S	S	*	*	H	α-helix	trans	-52.9	-37.1	-178	-114.6	60.2	0	0	0	114.9	R85	W81-R85 PolarHBondContact O-N 3.47Å
82	Q	49.5	Very low	51.4	Low	182 Å²	182	127.6 Å²	127.6	85%	0.85	58%	0.582	S	S	*	*	H	α-helix	trans	-73.8	-35.3	175.4	-77.8	-173.8	-11.5	0	0	113.7	Q80 L84	Q80-Q82 VanDerWaalsContact C-N 3.29Å; Q80-Q82 PolarHBondContact O-N 3.31Å; Q80-Q82 VanDerWaalsContact O-N 3.15Å; Q82-L84 VanDerWaalsContact C-N 3.35Å
83	K	49	Very low	51.4	Low	129 Å²	129	131.9 Å²	131.9	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-70.2	-33.7	174.5	-83.2	-178.6	177.9	174.5	0	111.2	Q80 K86 R87	Q80-K83 HydrophobicContact CB-CB 4.27Å; Q80-K83 HydrophobicContact CG-CD 4.48Å; Q80-K83 PolarHBondContact O-N 3.46Å; K83-K86 PolarHBondContact O-N 2.74Å; K83-R87 PolarHBondContact O-N 3Å
84	L	51	Low	51.4	Low	61 Å²	61	129.3 Å²	129.3	32%	0.319	58%	0.579	S	S	.	*	H	α-helix	trans	-58.7	-47.8	173.6	-86.8	155.3	0	0	0	111.6	Q80 Q82 K86 R87 E88	Q80-L84 PolarHBondContact O-N 3.46Å; Q82-L84 VanDerWaalsContact C-N 3.35Å; L84-K86 PolarHBondContact O-N 2.95Å; L84-R87 CarbonylContact O-C 3.56Å; L84-R87 PolarHBondContact O-N 3.23Å; L84-R87 VanDerWaalsContact O-N 3.1Å; L84-E88 WeakPolarHBondContact O-CB 3.31Å; L84-E88 PolarHBondContact O-N 2.89Å
85	R	53.6	Low	51.5	Low	160 Å²	160	126.6 Å²	126.6	60%	0.604	56%	0.564	S	S	*	*	H	α-helix	trans	-61.4	-38.1	179	-72.6	-156.4	-165.4	-171	7.6	114.3	W81 R89	W81-R85 PolarHBondContact O-N 3.47Å; R85-R89 WeakPolarHBondContact O-CB 3.32Å; R85-R89 PolarHBondContact O-N 3.23Å
86	K	52	Low	51.7	Low	155 Å²	155	128.7 Å²	128.7	67%	0.674	56%	0.563	S	S	*	*	H	α-helix	trans	-65.9	-44.2	174.3	-87.4	-174.6	177.7	178.9	0	110.2	K83 L84 R89 V90	K83-K86 PolarHBondContact O-N 2.74Å; L84-K86 PolarHBondContact O-N 2.95Å; K86-R89 PolarHBondContact O-N 3.08Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.44Å; K86-V90 PolarHBondContact O-N 3.46Å
87	R	56.2	Low	51.9	Low	113 Å²	113	124.7 Å²	124.7	43%	0.426	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-40.1	177	-76.4	-178.6	174.4	170.4	-1.1	112.6	K83 L84 V90 L91	K83-R87 PolarHBondContact O-N 3Å; L84-R87 CarbonylContact O-C 3.56Å; L84-R87 PolarHBondContact O-N 3.23Å; L84-R87 VanDerWaalsContact O-N 3.1Å; R87-V90 CarbonylContact O-C 3.55Å; R87-V90 PolarHBondContact O-N 3.31Å; R87-L91 WeakPolarHBondContact O-CB 3.43Å; R87-L91 PolarHBondContact O-N 3.46Å
88	E	55.1	Low	52	Low	97 Å²	97	120.7 Å²	120.7	45%	0.453	52%	0.523	S	S	.	.	H	α-helix	trans	-68.7	-36.8	179	-146	-169.3	-124.8	0	0	111.9	L84 L91 R92	L84-E88 WeakPolarHBondContact O-CB 3.31Å; L84-E88 PolarHBondContact O-N 2.89Å; E88-L91 PolarHBondContact O-N 3.36Å; E88-R92 WeakPolarHBondContact O-CB 3.41Å; E88-R92 PolarHBondContact O-N 3.28Å; E88-R92 IonicContact OE2-CZ 3.84Å; E88-R92 IonicContact OE2-NH2 2.82Å; E88-R92 PolarHBondContact OE2-NH2 3.48Å
89	R	60.1	Low	51.8	Low	161 Å²	161	121.7 Å²	121.7	61%	0.608	52%	0.522	S	S	*	.	H	α-helix	trans	-65.3	-43.5	169.6	-86.4	-169.7	-92.7	179.2	-10.4	112.1	R85 K86 L91 R92 F93	R85-R89 WeakPolarHBondContact O-CB 3.32Å; R85-R89 PolarHBondContact O-N 3.23Å; K86-R89 PolarHBondContact O-N 3.08Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.03Å; R89-R92 PolarHBondContact O-N 3.41Å; R89-F93 VanDerWaalsContact O-CB 3.28Å; R89-F93 WeakPolarHBondContact O-CB 3.43Å; R89-F93 PolarHBondContact O-N 3.19Å
90	V	59.3	Low	51.2	Low	77 Å²	77	114.1 Å²	114.1	47%	0.467	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-38.4	173.5	171.6	0	0	0	0	110.3	K86 R87 F93 A94	K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.44Å; K86-V90 PolarHBondContact O-N 3.46Å; R87-V90 CarbonylContact O-C 3.55Å; R87-V90 PolarHBondContact O-N 3.31Å; V90-F93 PolarHBondContact O-N 3.44Å; V90-A94 WeakPolarHBondContact O-CB 3.31Å; V90-A94 PolarHBondContact O-N 3.28Å
91	L	61	Low	50.6	Low	40 Å²	40	117.3 Å²	117.3	21%	0.209	51%	0.512	C	S	.	.	H	α-helix	trans	-71.3	-38.9	178.6	-150.1	124.7	0	0	0	111.6	V69 K70 R87 E88 R89 S95	V69-L91 HydrophobicContact CB-CD1 3.86Å; V69-L91 HydrophobicContact CG1-CD1 3.41Å; V69-L91 VanDerWaalsContact CG1-CD1 3.41Å; K70-L91 HydrophobicContact CG-CD1 4.12Å; K70-L91 HydrophobicContact CG-CD2 4.35Å; R87-L91 WeakPolarHBondContact O-CB 3.43Å; R87-L91 PolarHBondContact O-N 3.46Å; E88-L91 PolarHBondContact O-N 3.36Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.03Å; L91-S95 WeakPolarHBondContact O-CA 3.07Å; L91-S95 WeakPolarHBondContact O-CB 2.86Å; L91-S95 PolarHBondContact O-N 3.49Å; L91-S95 PolarHBondContact O-OG 3.29Å; L91-S95 VanDerWaalsContact O-OG 3.07Å
92	R	57.9	Low	50.2	Low	130 Å²	130	117.8 Å²	117.8	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-47	171.4	-84.3	-173.4	-103.2	172.9	-9.5	111.4	E88 R89 S95 R96	E88-R92 WeakPolarHBondContact O-CB 3.41Å; E88-R92 PolarHBondContact O-N 3.28Å; E88-R92 IonicContact OE2-CZ 3.84Å; E88-R92 IonicContact OE2-NH2 2.82Å; E88-R92 PolarHBondContact OE2-NH2 3.48Å; R89-R92 PolarHBondContact O-N 3.41Å; R92-S95 WeakPolarHBondContact CA-OG 3.27Å; R92-S95 PolarHBondContact O-N 3.26Å; R92-S95 PolarHBondContact O-OG 2.69Å; R92-R96 WeakPolarHBondContact O-CG 3.42Å; R92-R96 PolarHBondContact O-N 2.76Å
93	F	55.2	Low	49.5	Very low	132 Å²	132	114.3 Å²	114.3	58%	0.579	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-48.4	177.1	-176.3	-98.7	0	0	0	111.4	R89 V90 S95 R96 L97	R89-F93 VanDerWaalsContact O-CB 3.28Å; R89-F93 WeakPolarHBondContact O-CB 3.43Å; R89-F93 PolarHBondContact O-N 3.19Å; V90-F93 PolarHBondContact O-N 3.44Å; F93-S95 PolarHBondContact O-N 2.8Å; F93-R96 WeakPolarHBondContact O-CB 3.39Å; F93-R96 PolarHBondContact O-N 3.43Å; F93-R96 VanDerWaalsContact O-N 3.16Å; F93-L97 HydrophobicContact CE1-CD1 3.78Å; F93-L97 HydrophobicContact CZ-CD1 3.75Å; F93-L97 WeakPolarHBondContact O-CB 3.42Å; F93-L97 PolarHBondContact O-N 2.8Å
94	A	52.6	Low	48.6	Very low	14 Å²	14	113.1 Å²	113.1	12%	0.116	51%	0.51	C	S	.	.	H	α-helix	trans	-63	-41.7	175.2	0	0	0	0	0	111	I66 V90 R96 L97 F98	I66-A94 HydrophobicContact CD1-CB 4.03Å; I66-A94 HydrophobicContact CG1-CB 3.98Å; V90-A94 WeakPolarHBondContact O-CB 3.31Å; V90-A94 PolarHBondContact O-N 3.28Å; A94-R96 PolarHBondContact O-N 2.98Å; A94-L97 PolarHBondContact O-N 3.13Å; A94-F98 HydrophobicContact CB-CD2 4Å; A94-F98 HydrophobicContact CB-CE2 4.31Å; A94-F98 WeakPolarHBondContact O-CA 3.21Å; A94-F98 VanDerWaalsContact O-CB 3.26Å; A94-F98 WeakPolarHBondContact O-CB 3.4Å; A94-F98 WeakPolarHBondContact O-CD2 3.45Å; A94-F98 PolarHBondContact O-N 3.18Å
95	S	51.8	Low	47.8	Very low	55 Å²	55	114.4 Å²	114.4	39%	0.385	52%	0.516	S	S	.	.	H	α-helix	trans	-65.5	-25.8	176.2	71.2	0	0	0	0	113.1	L91 R92 F93 R99	L91-S95 WeakPolarHBondContact O-CA 3.07Å; L91-S95 WeakPolarHBondContact O-CB 2.86Å; L91-S95 PolarHBondContact O-N 3.49Å; L91-S95 PolarHBondContact O-OG 3.29Å; L91-S95 VanDerWaalsContact O-OG 3.07Å; R92-S95 WeakPolarHBondContact CA-OG 3.27Å; R92-S95 PolarHBondContact O-N 3.26Å; R92-S95 PolarHBondContact O-OG 2.69Å; F93-S95 PolarHBondContact O-N 2.8Å; S95-R99 VanDerWaalsContact O-CA 3.31Å; S95-R99 WeakPolarHBondContact O-CA 3.34Å; S95-R99 WeakPolarHBondContact O-CB 3.49Å; S95-R99 WeakPolarHBondContact O-CG 3.49Å; S95-R99 PolarHBondContact O-N 2.99Å
96	R	51.5	Low	46.9	Very low	178 Å²	178	110.3 Å²	110.3	67%	0.672	52%	0.516	S	S	*	.	H	α-helix	trans	-77.6	-43.8	170.5	-72.1	178.8	-161	161.7	0.9	111.4	R92 F93 A94 R99	R92-R96 WeakPolarHBondContact O-CG 3.42Å; R92-R96 PolarHBondContact O-N 2.76Å; F93-R96 WeakPolarHBondContact O-CB 3.39Å; F93-R96 PolarHBondContact O-N 3.43Å; F93-R96 VanDerWaalsContact O-N 3.16Å; A94-R96 PolarHBondContact O-N 2.98Å; R96-R99 PolarHBondContact O-N 3.25Å
97	L	48.2	Very low	46.2	Very low	105 Å²	105	107.9 Å²	107.9	55%	0.55	51%	0.51	S	S	.	.	H	α-helix	trans	-70.2	-34.2	-177.9	-150.2	114.1	0	0	0	112.4	F93 A94	F93-L97 HydrophobicContact CE1-CD1 3.78Å; F93-L97 HydrophobicContact CZ-CD1 3.75Å; F93-L97 WeakPolarHBondContact O-CB 3.42Å; F93-L97 PolarHBondContact O-N 2.8Å; A94-L97 PolarHBondContact O-N 3.13Å
98	F	47.5	Very low	45.7	Very low	45 Å²	45	106.7 Å²	106.7	20%	0.197	51%	0.505	C	S	.	.	S	Bend	trans	-105.3	7.9	178.6	-61.7	-75	0	0	0	112.6	M59 I66 A94 Q100	M59-F98 HydrophobicContact CE-CD1 4.48Å; M59-F98 HydrophobicContact SD-CD1 3.42Å; M59-F98 WeakPolarHBondContact SD-CD1 3.23Å; M59-F98 HydrophobicContact SD-CE1 3.51Å; M59-F98 VanDerWaalsContact SD-CE1 3.51Å; I66-F98 HydrophobicContact CD1-CB 3.86Å; I66-F98 HydrophobicContact CD1-CD2 3.43Å; I66-F98 VanDerWaalsContact CD1-CD2 3.43Å; I66-F98 HydrophobicContact CD1-CE2 4.16Å; I66-F98 HydrophobicContact CD1-CG 3.8Å; I66-F98 HydrophobicContact CG1-CD2 4.5Å; A94-F98 HydrophobicContact CB-CD2 4Å; A94-F98 HydrophobicContact CB-CE2 4.31Å; A94-F98 WeakPolarHBondContact O-CA 3.21Å; A94-F98 VanDerWaalsContact O-CB 3.26Å; A94-F98 WeakPolarHBondContact O-CB 3.4Å; A94-F98 WeakPolarHBondContact O-CD2 3.45Å; A94-F98 PolarHBondContact O-N 3.18Å; F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 3.2Å
99	R	40.6	Very low	45	Very low	206 Å²	206	107.1 Å²	107.1	78%	0.777	52%	0.516	S	S	*	.			trans	-64.7	99.3	166.4	-131.3	175.2	159.3	-177.1	-6.1	105.1	S95 R96 H101	S95-R99 VanDerWaalsContact O-CA 3.31Å; S95-R99 WeakPolarHBondContact O-CA 3.34Å; S95-R99 WeakPolarHBondContact O-CB 3.49Å; S95-R99 WeakPolarHBondContact O-CG 3.49Å; S95-R99 PolarHBondContact O-N 2.99Å; R96-R99 PolarHBondContact O-N 3.25Å; R99-H101 PolarHBondContact O-N 3.05Å; R99-H101 VanDerWaalsContact O-N 3.1Å
100	Q	36.5	Very low	44.3	Very low	91 Å²	91	104.4 Å²	104.4	43%	0.425	52%	0.519	S	S	.	.			trans	-57.6	120.1	153.7	-83.5	-178.1	-54.5	0	0	104.7	F98 K102	F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 3.2Å; Q100-K102 VanDerWaalsContact C-N 3.31Å; Q100-K102 PolarHBondContact O-N 3.09Å
101	H	34.9	Very low	43.9	Very low	155 Å²	155	105.2 Å²	105.2	72%	0.718	51%	0.514	S	S	*	.			trans	-45.6	114.3	150.4	-124.6	-82.5	0	0	0	103.8	R99 D103	R99-H101 PolarHBondContact O-N 3.05Å; R99-H101 VanDerWaalsContact O-N 3.1Å; H101-D103 IonicContact CE1-OD1 3.89Å; H101-D103 IonicContact CG-OD1 3.58Å; H101-D103 IonicContact CG-OD2 3.97Å; H101-D103 IonicContact ND1-OD1 2.9Å; H101-D103 PolarHBondContact ND1-OD1 3.44Å; H101-D103 IonicContact ND1-OD2 3.33Å; H101-D103 PolarHBondContact ND1-OD2 3.48Å; H101-D103 PolarHBondContact O-N 3.2Å
102	K	30.9	Very low	43.3	Very low	187 Å²	187	113.1 Å²	113.1	81%	0.813	54%	0.541	S	S	*	.	S	Bend	trans	-76.1	44.7	-178.9	-136.9	-173.8	-176.8	-165.4	0	107.9	Q100 T104	Q100-K102 VanDerWaalsContact C-N 3.31Å; Q100-K102 PolarHBondContact O-N 3.09Å; K102-T104 PolarHBondContact O-N 2.99Å
103	D	35.1	Very low	42.9	Very low	110 Å²	110	108.3 Å²	108.3	59%	0.588	53%	0.527	S	S	*	.			trans	-83.5	35.1	163.9	-53.8	0.1	0	0	0	107.1	H101 I105	H101-D103 IonicContact CE1-OD1 3.89Å; H101-D103 IonicContact CG-OD1 3.58Å; H101-D103 IonicContact CG-OD2 3.97Å; H101-D103 IonicContact ND1-OD1 2.9Å; H101-D103 PolarHBondContact ND1-OD1 3.44Å; H101-D103 IonicContact ND1-OD2 3.33Å; H101-D103 PolarHBondContact ND1-OD2 3.48Å; H101-D103 PolarHBondContact O-N 3.2Å; D103-I105 PolarHBondContact O-N 3.41Å
104	T	29.1	Very low	42.9	Very low	104 Å²	104	103.7 Å²	103.7	64%	0.638	51%	0.51	S	S	*	.			trans	-61.7	81	151.1	29.3	0	0	0	0	104.9	K102 A106	K102-T104 PolarHBondContact O-N 2.99Å; T104-A106 VanDerWaalsContact C-N 3.3Å; T104-A106 PolarHBondContact O-N 2.82Å
105	I	35.6	Very low	42.9	Very low	88 Å²	88	109 Å²	109	45%	0.451	54%	0.536	S	S	.	.			trans	-53.4	106.9	161.7	-63	167.7	0	0	0	102.7	D103 I107 E994	D103-I105 PolarHBondContact O-N 3.41Å; I105-I107 PolarHBondContact O-N 3.35Å; I105-E994 WeakPolarHBondContact CD1-OE2 3.24Å
106	A	34.1	Very low	43.1	Very low	73 Å²	73	110.5 Å²	110.5	60%	0.603	54%	0.537	S	S	*	.			trans	-54.6	117.9	170.9	0	0	0	0	0	105.5	T104 R108	T104-A106 VanDerWaalsContact C-N 3.3Å; T104-A106 PolarHBondContact O-N 2.82Å; A106-R108 WeakPolarHBondContact O-CG 3.42Å; A106-R108 PolarHBondContact O-N 3.32Å
107	I	37.5	Very low	43.4	Very low	105 Å²	105	103.1 Å²	103.1	54%	0.538	51%	0.51	S	S	.	.			trans	-63.2	105.6	-179.9	-65.1	164.7	0	0	0	105.7	I105 L995	I105-I107 PolarHBondContact O-N 3.35Å; I107-L995 HydrophobicContact CB-CD2 4.23Å; I107-L995 HydrophobicContact CG2-CB 4.41Å; I107-L995 HydrophobicContact CG2-CD2 3.72Å
108	R	44.7	Very low	43.7	Very low	88 Å²	88	99 Å²	99	33%	0.332	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-86.9	118.1	-177.1	-69.3	-177.7	-178.2	149.6	-2	109	A106 D760 L995	A106-R108 WeakPolarHBondContact O-CG 3.42Å; A106-R108 PolarHBondContact O-N 3.32Å; R108-D760 IonicContact CZ-OD1 2.92Å; R108-D760 IonicContact CZ-OD2 3.66Å; R108-D760 IonicContact NE-OD1 2.61Å; R108-D760 PolarHBondContact NE-OD1 3.29Å; R108-D760 VanDerWaalsContact NE-OD1 3.17Å; R108-D760 IonicContact NE-OD2 3.75Å; R108-D760 PolarHBondContact NE-OD2 3.25Å; R108-D760 IonicContact NH2-OD1 3.83Å; R108-D760 IonicContact NH2-OD2 3.44Å; R108-D760 PolarHBondContact NH2-OD2 3.19Å; R108-L995 WeakPolarHBondContact O-CD1 3.29Å; R108-L995 WeakPolarHBondContact O-CD2 3.47Å
109	P	42.1	Very low	44.1	Very low	105 Å²	105	101 Å²	101	68%	0.682	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-63.3	150.8	175.4	26.4	-32.6	0	0	0	110.4	R111	P109-R111 PolarHBondContact O-N 2.94Å
110	P	45.4	Very low	44.8	Very low	104 Å²	104	92.7 Å²	92.7	68%	0.675	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-55.4	128.1	169	23.7	-32.3	0	0	0	108.6	R112	P110-R112 PolarHBondContact O-N 3.26Å; P110-R112 VanDerWaalsContact O-N 3.12Å
111	R	50.6	Low	45.8	Very low	95 Å²	95	91.2 Å²	91.2	36%	0.358	47%	0.47	S	S	.	.			trans	-65.1	115.7	-177.9	-65.9	-173.5	-177.3	163.2	6	108.7	P109 F613 D760	P109-R111 PolarHBondContact O-N 2.94Å; R111-F613 HydrophobicContact CB-CZ 4.44Å; R111-F613 VanDerWaalsContact O-CE2 3.24Å; R111-F613 WeakPolarHBondContact O-CE2 3.48Å; R111-D760 IonicContact NH2-OD1 3.72Å
112	R	48.6	Very low	46.6	Very low	205 Å²	205	90.2 Å²	90.2	77%	0.774	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-96.7	148.8	167.7	-68	-178.6	-179.2	-178.6	-0.6	107.9	P110 F613	P110-R112 PolarHBondContact O-N 3.26Å; P110-R112 VanDerWaalsContact O-N 3.12Å; R112-F613 VanDerWaalsContact C-CZ 3.47Å
113	P	49.6	Very low	47.2	Very low	29 Å²	29	83.9 Å²	83.9	19%	0.188	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-54.7	142.5	171.8	26.2	-35.5	0	0	0	108.4	D115 F117 P612 F613	P113-D115 PolarHBondContact O-N 2.77Å; P113-F117 HydrophobicContact CB-CB 4.36Å; P113-F117 HydrophobicContact CB-CD1 4.3Å; P113-F117 HydrophobicContact CB-CG 4.5Å; P113-P612 HydrophobicContact CB-CB 4.4Å; P113-P612 HydrophobicContact CG-CB 3.74Å; P113-P612 HydrophobicContact CG-CG 4.34Å; P113-F613 HydrophobicContact CB-CE1 4.19Å; P113-F613 HydrophobicContact CB-CZ 4.22Å
114	P	54.9	Low	47.1	Very low	35 Å²	35	83.3 Å²	83.3	23%	0.227	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-58.2	141.7	178.1	23.7	-31.7	0	0	0	109.1	Q116 F117 W764	P114-Q116 PolarHBondContact O-N 3.21Å; P114-F117 HydrophobicContact CG-CB 4.23Å; P114-F117 WeakPolarHBondContact O-CB 3.49Å; P114-F117 PolarHBondContact O-N 2.84Å; P114-W764 HydrophobicContact CB-CB 4.32Å; P114-W764 HydrophobicContact CG-CB 3.95Å
115	D	52.3	Low	47.3	Very low	125 Å²	125	85.5 Å²	85.5	67%	0.668	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-54	-33.8	179.8	-66.7	-34.9	0	0	0	111.1	P113 F117 V118 E119	P113-D115 PolarHBondContact O-N 2.77Å; D115-F117 PolarHBondContact O-N 3.09Å; D115-F117 VanDerWaalsContact O-N 3.12Å; D115-V118 PolarHBondContact O-N 3.49Å; D115-E119 WeakPolarHBondContact O-CG 3.19Å; D115-E119 PolarHBondContact O-N 3.16Å
116	Q	55.5	Low	47	Very low	87 Å²	87	88.1 Å²	88.1	41%	0.407	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-48.4	-40.2	171.1	-66.2	179.7	-0.8	0	0	112.8	P114 V118 E119 R736	P114-Q116 PolarHBondContact O-N 3.21Å; Q116-V118 PolarHBondContact O-N 2.95Å; Q116-E119 PolarHBondContact O-N 2.98Å; Q116-R736 WeakPolarHBondContact O-CD 3.48Å; Q116-R736 PolarHBondContact O-NE 2.75Å
117	F	57.5	Low	46.9	Very low	24 Å²	24	91.6 Å²	91.6	11%	0.105	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-59.3	-22.2	-179.4	-166.4	-102.7	0	0	0	113.8	P113 P114 D115 V534	P113-F117 HydrophobicContact CB-CB 4.36Å; P113-F117 HydrophobicContact CB-CD1 4.3Å; P113-F117 HydrophobicContact CB-CG 4.5Å; P114-F117 HydrophobicContact CG-CB 4.23Å; P114-F117 WeakPolarHBondContact O-CB 3.49Å; P114-F117 PolarHBondContact O-N 2.84Å; D115-F117 PolarHBondContact O-N 3.09Å; D115-F117 VanDerWaalsContact O-N 3.12Å; F117-V534 HydrophobicContact CE1-CG2 4.38Å
118	V	53.8	Low	46.9	Very low	18 Å²	18	93.9 Å²	93.9	11%	0.109	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-16.5	-174.9	-163.4	0	0	0	0	112.1	D115 Q116 V524 K532 I560	D115-V118 PolarHBondContact O-N 3.49Å; Q116-V118 PolarHBondContact O-N 2.95Å; V118-V524 HydrophobicContact CG1-CB 4.32Å; V118-V524 HydrophobicContact CG1-CG1 3.32Å; V118-V524 HydrophobicContact CG1-CG2 4.01Å; V118-K532 HydrophobicContact CB-CB 4.36Å; V118-K532 HydrophobicContact CB-CD 4.48Å; V118-K532 HydrophobicContact CG1-CB 3.27Å; V118-K532 HydrophobicContact CG1-CD 3.84Å; V118-K532 HydrophobicContact CG1-CG 4.18Å; V118-I560 WeakPolarHBondContact O-CD1 3.42Å
119	E	57.5	Low	46.8	Very low	88 Å²	88	93.8 Å²	93.8	41%	0.411	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-97.1	131	-178.1	-64	-162	151.2	0	0	112.7	D115 Q116 K532 R736	D115-E119 WeakPolarHBondContact O-CG 3.19Å; D115-E119 PolarHBondContact O-N 3.16Å; Q116-E119 PolarHBondContact O-N 2.98Å; E119-K532 VanDerWaalsContact CG-NZ 3.35Å; E119-K532 IonicContact OE1-NZ 2.67Å; E119-K532 PolarHBondContact OE1-NZ 3.08Å; E119-R736 PolarHBondContact O-NE 2.7Å; E119-R736 PolarHBondContact O-NH2 2.85Å
120	A	55.8	Low	46.7	Very low	30 Å²	30	93.2 Å²	93.2	25%	0.248	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-82.1	142.4	169.7	0	0	0	0	0	110.2	G500 A502 I560	A120-G500 WeakPolarHBondContact CA-O 3.47Å; A120-A502 HydrophobicContact CB-CB 3.46Å; A120-A502 VanDerWaalsContact CB-CB 3.46Å; A120-I560 HydrophobicContact CB-CD1 4.12Å; A120-I560 HydrophobicContact CB-CG1 4.17Å; A120-I560 HydrophobicContact CB-CG2 4.31Å
121	D	57	Low	46.6	Very low	61 Å²	61	91.4 Å²	91.4	33%	0.326	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-69.4	145.9	175.3	-69.5	-15.9	0	0	0	111.3	A123 G500 A734 R736	D121-A123 PolarHBondContact O-N 3.39Å; D121-G500 PolarHBondContact N-O 3.44Å; D121-G500 VanDerWaalsContact N-O 3.1Å; D121-A734 WeakPolarHBondContact OD2-CB 3.29Å; D121-R736 IonicContact OD1-CZ 2.75Å; D121-R736 IonicContact OD1-NH2 3.67Å; D121-R736 PolarHBondContact OD1-NH2 2.84Å
122	V	51	Low	46.3	Very low	134 Å²	134	89.7 Å²	89.7	81%	0.812	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-73.3	116	168.7	-175.8	0	0	0	0	106.7	S124	V122-S124 PolarHBondContact O-N 2.89Å; V122-S124 VanDerWaalsContact O-N 3.11Å
123	A	43.2	Very low	46.4	Very low	54 Å²	54	84.9 Å²	84.9	45%	0.446	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-55.3	118.7	-179	0	0	0	0	0	110.3	D121 N125	D121-A123 PolarHBondContact O-N 3.39Å; A123-N125 PolarHBondContact O-N 3.11Å
124	S	34.3	Very low	46.6	Very low	98 Å²	98	85.9 Å²	85.9	69%	0.685	49%	0.489	S	S	*	.			trans	-77.2	108.9	159.2	52.5	0	0	0	0	107.4	V122 I126	V122-S124 PolarHBondContact O-N 2.89Å; V122-S124 VanDerWaalsContact O-N 3.11Å; S124-I126 PolarHBondContact O-N 3.11Å
125	N	32.1	Very low	46.9	Very low	149 Å²	149	88.2 Å²	88.2	80%	0.797	50%	0.497	S	S	*	.			trans	-60.6	96.7	174.1	-71.9	-13.3	0	0	0	110.3	A123	A123-N125 PolarHBondContact O-N 3.11Å
126	I	28.9	Very low	47.3	Very low	143 Å²	143	87.8 Å²	87.8	73%	0.733	49%	0.494	S	S	*	.			trans	-139.4	102.5	156.5	-56.7	-178.7	0	0	0	107.7	S124	S124-I126 PolarHBondContact O-N 3.11Å
127	D	33.4	Very low	47.9	Very low	147 Å²	147	87 Å²	87	79%	0.786	50%	0.497	S	S	*	.			trans	-75.1	111.6	171.1	-71.1	-44.6	0	0	0	110.5
128	E	36.5	Very low	48.5	Very low	153 Å²	153	86.1 Å²	86.1	72%	0.715	49%	0.493	S	S	*	.			trans	-126.8	8.9	155.1	-72.5	-171.3	164.1	0	0	111.6	L130 F131 G132	E128-L130 PolarHBondContact O-N 2.87Å; E128-L130 VanDerWaalsContact O-N 3.16Å; E128-F131 PolarHBondContact O-N 3.39Å; E128-G132 PolarHBondContact O-N 2.69Å; E128-G132 VanDerWaalsContact O-N 3.14Å
129	A	42	Very low	49.2	Very low	86 Å²	86	87.9 Å²	87.9	71%	0.711	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.7	-151	0	0	0	0	0	117.2
130	L	41.2	Very low	50	Low	92 Å²	92	87.9 Å²	87.9	48%	0.482	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-30.6	174.9	-151.6	75.2	0	0	0	113.4	E128 P196	E128-L130 PolarHBondContact O-N 2.87Å; E128-L130 VanDerWaalsContact O-N 3.16Å; L130-P196 HydrophobicContact CD2-CG 4.27Å
131	F	42.9	Very low	50.9	Low	66 Å²	66	87.2 Å²	87.2	29%	0.289	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-12.4	-171.7	-66.4	-75.9	0	0	0	114.9	E128 H133 F134 F139 M169	E128-F131 PolarHBondContact O-N 3.39Å; F131-H133 PolarHBondContact O-N 2.78Å; F131-H133 VanDerWaalsContact O-N 3.1Å; F131-F134 HydrophobicContact CB-CD2 4.22Å; F131-F134 AromaticContact CD1-CD2 3.52Å; F131-F134 HydrophobicContact CD1-CD2 3.52Å; F131-F134 AromaticContact CD1-CE2 3.47Å; F131-F134 HydrophobicContact CD1-CE2 3.47Å; F131-F134 VanDerWaalsContact CD1-CE2 3.47Å; F131-F134 HydrophobicContact CE1-CD2 4.38Å; F131-F134 AromaticContact CE1-CE2 3.96Å; F131-F134 HydrophobicContact CE1-CE2 3.96Å; F131-F134 HydrophobicContact CG-CD2 4.3Å; F131-F134 HydrophobicContact CG-CE2 4.41Å; F131-F134 PolarHBondContact O-N 3.08Å; F131-F139 HydrophobicContact CB-CD2 3.67Å; F131-F139 HydrophobicContact CB-CE2 3.37Å; F131-F139 HydrophobicContact CB-CG 4.47Å; F131-F139 HydrophobicContact CB-CZ 3.94Å; F131-F139 AromaticContact CD1-CD2 3.44Å; F131-F139 HydrophobicContact CD1-CD2 3.44Å; F131-F139 VanDerWaalsContact CD1-CD2 3.44Å; F131-F139 AromaticContact CD1-CE2 3.3Å; F131-F139 HydrophobicContact CD1-CE2 3.3Å; F131-F139 AromaticContact CD2-CE2 3.86Å; F131-F139 HydrophobicContact CD2-CE2 3.86Å; F131-F139 HydrophobicContact CD2-CZ 4.47Å; F131-F139 HydrophobicContact CE1-CD2 4.27Å; F131-F139 AromaticContact CE1-CE2 4Å; F131-F139 HydrophobicContact CE1-CE2 4Å; F131-F139 HydrophobicContact CE2-CE2 4.46Å; F131-F139 AromaticContact CG-CD2 3.73Å; F131-F139 HydrophobicContact CG-CD2 3.73Å; F131-F139 AromaticContact CG-CE2 3.22Å; F131-F139 HydrophobicContact CG-CE2 3.22Å; F131-F139 HydrophobicContact CG-CZ 4.08Å; F131-M169 HydrophobicContact CE2-CE 4.24Å; F131-M169 HydrophobicContact CE2-SD 4.05Å
132	G	45.3	Very low	51.8	Low	59 Å²	59	85 Å²	85	61%	0.608	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.2	175.5	0	0	0	0	0	114.5	E128	E128-G132 PolarHBondContact O-N 2.69Å; E128-G132 VanDerWaalsContact O-N 3.14Å
133	H	49	Very low	53.1	Low	104 Å²	104	80.9 Å²	80.9	48%	0.481	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14	176.7	-61.9	-55.9	0	0	0	114	F131	F131-H133 PolarHBondContact O-N 2.78Å; F131-H133 VanDerWaalsContact O-N 3.1Å
134	F	55.8	Low	54.9	Low	50 Å²	50	87.4 Å²	87.4	22%	0.219	47%	0.472	C	S	.	.	S	Bend	trans	-85.6	142.3	177.5	-65.8	-66.8	0	0	0	111	F131 L136 F138 F139 T249	F131-F134 HydrophobicContact CB-CD2 4.22Å; F131-F134 AromaticContact CD1-CD2 3.52Å; F131-F134 HydrophobicContact CD1-CD2 3.52Å; F131-F134 AromaticContact CD1-CE2 3.47Å; F131-F134 HydrophobicContact CD1-CE2 3.47Å; F131-F134 VanDerWaalsContact CD1-CE2 3.47Å; F131-F134 HydrophobicContact CE1-CD2 4.38Å; F131-F134 AromaticContact CE1-CE2 3.96Å; F131-F134 HydrophobicContact CE1-CE2 3.96Å; F131-F134 HydrophobicContact CG-CD2 4.3Å; F131-F134 HydrophobicContact CG-CE2 4.41Å; F131-F134 PolarHBondContact O-N 3.08Å; F134-L136 PolarHBondContact O-N 3.1Å; F134-F138 HydrophobicContact CB-CD1 3.87Å; F134-F138 HydrophobicContact CB-CE1 4.43Å; F134-F138 AromaticContact CD1-CD1 3.48Å; F134-F138 HydrophobicContact CD1-CD1 3.48Å; F134-F138 VanDerWaalsContact CD1-CD1 3.48Å; F134-F138 AromaticContact CD1-CE1 3.26Å; F134-F138 HydrophobicContact CD1-CE1 3.26Å; F134-F138 HydrophobicContact CD1-CZ 4.34Å; F134-F138 HydrophobicContact CE1-CD1 4.26Å; F134-F138 AromaticContact CE1-CE1 3.57Å; F134-F138 HydrophobicContact CE1-CE1 3.57Å; F134-F138 HydrophobicContact CE1-CZ 4.37Å; F134-F138 AromaticContact CG-CD1 3.82Å; F134-F138 HydrophobicContact CG-CD1 3.82Å; F134-F138 AromaticContact CG-CE1 3.87Å; F134-F138 HydrophobicContact CG-CE1 3.87Å; F134-F138 HydrophobicContact CZ-CE1 4.4Å; F134-F139 HydrophobicContact CB-CB 4.03Å; F134-T249 HydrophobicContact CE1-CG2 4.04Å; F134-T249 WeakPolarHBondContact CE1-OG1 3.38Å; F134-T249 HydrophobicContact CZ-CG2 4.3Å
135	E	60.7	Low	57	Low	84 Å²	84	86.2 Å²	86.2	39%	0.393	46%	0.455	S	S	.	.			trans	-59.1	129.4	167.2	-68.1	179.2	-173.9	0	0	109	P137 F138 F139 R248	E135-P137 VanDerWaalsContact C-N 3.27Å; E135-P137 VanDerWaalsContact O-N 3.09Å; E135-F138 WeakPolarHBondContact O-CA 3.48Å; E135-F138 WeakPolarHBondContact O-CB 3.48Å; E135-F138 PolarHBondContact O-N 3.47Å; E135-F139 PolarHBondContact O-N 2.93Å; E135-R248 IonicContact OE1-NH1 3.58Å; E135-R248 PolarHBondContact OE1-NH1 3.01Å
136	L	60.9	Low	59.4	Low	117 Å²	117	81.4 Å²	81.4	61%	0.613	43%	0.429	S	S	*	.	H	α-helix	trans	-47.4	-41.6	-175	-177	64.9	0	0	0	113.7	F134 F138 F139 L140	F134-L136 PolarHBondContact O-N 3.1Å; L136-F138 PolarHBondContact O-N 3.27Å; L136-F139 PolarHBondContact O-N 3.39Å; L136-L140 HydrophobicContact CD1-CD1 4.1Å; L136-L140 HydrophobicContact CD1-CD2 4.49Å; L136-L140 HydrophobicContact CD1-CG 4.05Å; L136-L140 HydrophobicContact CG-CD1 3.91Å; L136-L140 HydrophobicContact CG-CG 4.3Å; L136-L140 WeakPolarHBondContact O-CB 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 2.74Å
137	P	67.5	Low	62.2	Low	71 Å²	71	78.4 Å²	78.4	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-40.3	176.7	-22.3	34.6	0	0	0	113.9	E135 D141 Y242	E135-P137 VanDerWaalsContact C-N 3.27Å; E135-P137 VanDerWaalsContact O-N 3.09Å; P137-D141 WeakPolarHBondContact O-CB 3.29Å; P137-D141 PolarHBondContact O-N 3.28Å; P137-D141 VanDerWaalsContact O-N 3.1Å; P137-Y242 HydrophobicContact CB-CE1 4.42Å
138	F	69.7	Low	64.8	Low	4 Å²	4	74.6 Å²	74.6	2%	0.018	39%	0.394	C	S	.	.	H	α-helix	trans	-65.2	-46.9	176.2	170.3	-89.7	0	0	0	110.3	F134 E135 L136 L140 D141 V142 I238 Y242 W246	F134-F138 HydrophobicContact CB-CD1 3.87Å; F134-F138 HydrophobicContact CB-CE1 4.43Å; F134-F138 AromaticContact CD1-CD1 3.48Å; F134-F138 HydrophobicContact CD1-CD1 3.48Å; F134-F138 VanDerWaalsContact CD1-CD1 3.48Å; F134-F138 AromaticContact CD1-CE1 3.26Å; F134-F138 HydrophobicContact CD1-CE1 3.26Å; F134-F138 HydrophobicContact CD1-CZ 4.34Å; F134-F138 HydrophobicContact CE1-CD1 4.26Å; F134-F138 AromaticContact CE1-CE1 3.57Å; F134-F138 HydrophobicContact CE1-CE1 3.57Å; F134-F138 HydrophobicContact CE1-CZ 4.37Å; F134-F138 AromaticContact CG-CD1 3.82Å; F134-F138 HydrophobicContact CG-CD1 3.82Å; F134-F138 AromaticContact CG-CE1 3.87Å; F134-F138 HydrophobicContact CG-CE1 3.87Å; F134-F138 HydrophobicContact CZ-CE1 4.4Å; E135-F138 WeakPolarHBondContact O-CA 3.48Å; E135-F138 WeakPolarHBondContact O-CB 3.48Å; E135-F138 PolarHBondContact O-N 3.47Å; L136-F138 PolarHBondContact O-N 3.27Å; F138-L140 PolarHBondContact O-N 3.46Å; F138-D141 PolarHBondContact O-N 3.48Å; F138-V142 HydrophobicContact CD1-CG2 4.22Å; F138-V142 HydrophobicContact CE1-CG2 3.76Å; F138-V142 HydrophobicContact CE2-CG2 4.21Å; F138-V142 HydrophobicContact CZ-CG2 3.75Å; F138-V142 WeakPolarHBondContact O-CG2 3.45Å; F138-V142 PolarHBondContact O-N 2.77Å; F138-I238 HydrophobicContact CD2-CG2 3.87Å; F138-I238 HydrophobicContact CE2-CG2 3.47Å; F138-I238 VanDerWaalsContact CE2-CG2 3.47Å; F138-I238 HydrophobicContact CZ-CG2 4.39Å; F138-Y242 HydrophobicContact CB-CD2 4.44Å; F138-Y242 HydrophobicContact CB-CG 4.42Å; F138-Y242 HydrophobicContact CD2-CD2 4.08Å; F138-Y242 HydrophobicContact CD2-CG 4.18Å; F138-W246 AromaticContact CE2-CE3 3.98Å; F138-W246 HydrophobicContact CE2-CE3 3.98Å; F138-W246 HydrophobicContact CE2-CZ3 4.46Å; F138-W246 AromaticContact CZ-CE3 3.59Å; F138-W246 HydrophobicContact CZ-CE3 3.59Å; F138-W246 AromaticContact CZ-CZ3 3.72Å; F138-W246 HydrophobicContact CZ-CZ3 3.72Å
139	F	68.9	Low	67.3	Low	55 Å²	55	70.7 Å²	70.7	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-59.5	-46.9	178.9	175.4	-114.3	0	0	0	112	F131 F134 E135 L136 D141 V142 C143	F131-F139 HydrophobicContact CB-CD2 3.67Å; F131-F139 HydrophobicContact CB-CE2 3.37Å; F131-F139 HydrophobicContact CB-CG 4.47Å; F131-F139 HydrophobicContact CB-CZ 3.94Å; F131-F139 AromaticContact CD1-CD2 3.44Å; F131-F139 HydrophobicContact CD1-CD2 3.44Å; F131-F139 VanDerWaalsContact CD1-CD2 3.44Å; F131-F139 AromaticContact CD1-CE2 3.3Å; F131-F139 HydrophobicContact CD1-CE2 3.3Å; F131-F139 AromaticContact CD2-CE2 3.86Å; F131-F139 HydrophobicContact CD2-CE2 3.86Å; F131-F139 HydrophobicContact CD2-CZ 4.47Å; F131-F139 HydrophobicContact CE1-CD2 4.27Å; F131-F139 AromaticContact CE1-CE2 4Å; F131-F139 HydrophobicContact CE1-CE2 4Å; F131-F139 HydrophobicContact CE2-CE2 4.46Å; F131-F139 AromaticContact CG-CD2 3.73Å; F131-F139 HydrophobicContact CG-CD2 3.73Å; F131-F139 AromaticContact CG-CE2 3.22Å; F131-F139 HydrophobicContact CG-CE2 3.22Å; F131-F139 HydrophobicContact CG-CZ 4.08Å; F134-F139 HydrophobicContact CB-CB 4.03Å; E135-F139 PolarHBondContact O-N 2.93Å; L136-F139 PolarHBondContact O-N 3.39Å; F139-D141 VanDerWaalsContact C-N 3.29Å; F139-D141 PolarHBondContact O-N 3Å; F139-V142 PolarHBondContact O-N 3.43Å; F139-C143 WeakPolarHBondContact CE2-SG 2.85Å; F139-C143 WeakPolarHBondContact CZ-SG 3.34Å; F139-C143 PolarHBondContact O-N 2.97Å; F139-C143 PolarHBondContact O-SG 2.81Å
140	L	74.5	Confident	69.8	Low	89 Å²	89	75 Å²	75	47%	0.466	37%	0.374	S	S	.	.	H	α-helix	trans	-62.6	-35.7	178	-70.3	173.4	0	0	0	112.2	L136 F138 C143 R144	L136-L140 HydrophobicContact CD1-CD1 4.1Å; L136-L140 HydrophobicContact CD1-CD2 4.49Å; L136-L140 HydrophobicContact CD1-CG 4.05Å; L136-L140 HydrophobicContact CG-CD1 3.91Å; L136-L140 HydrophobicContact CG-CG 4.3Å; L136-L140 WeakPolarHBondContact O-CB 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.44Å; L136-L140 PolarHBondContact O-N 2.74Å; F138-L140 PolarHBondContact O-N 3.46Å; L140-C143 PolarHBondContact O-N 3.01Å; L140-R144 WeakPolarHBondContact O-CG 3.36Å; L140-R144 PolarHBondContact O-N 3.26Å
141	D	74.8	Confident	72.2	Confident	16 Å²	16	71.5 Å²	71.5	9%	0.086	36%	0.355	C	S	.	.	H	α-helix	trans	-72	-37.7	177.8	-147.6	36.5	0	0	0	111.8	P137 F138 F139 R144 H145 K241 Y242	P137-D141 WeakPolarHBondContact O-CB 3.29Å; P137-D141 PolarHBondContact O-N 3.28Å; P137-D141 VanDerWaalsContact O-N 3.1Å; F138-D141 PolarHBondContact O-N 3.48Å; F139-D141 VanDerWaalsContact C-N 3.29Å; F139-D141 PolarHBondContact O-N 3Å; D141-R144 PolarHBondContact O-N 3.19Å; D141-R144 IonicContact OD1-NH1 2.68Å; D141-H145 PolarHBondContact O-CE1 3.34Å; D141-H145 PolarHBondContact O-ND1 3.25Å; D141-K241 VanDerWaalsContact CG-NZ 3.3Å; D141-K241 IonicContact OD1-NZ 3.44Å; D141-K241 PolarHBondContact OD1-NZ 2.72Å; D141-K241 WeakPolarHBondContact OD2-CD 3.49Å; D141-K241 IonicContact OD2-NZ 3.75Å; D141-K241 PolarHBondContact OD2-NZ 3.35Å; D141-Y242 HydrophobicContact CB-CE2 4.28Å
142	V	75.9	Confident	74.6	Confident	14 Å²	14	71.6 Å²	71.6	9%	0.085	36%	0.363	C	S	.	.	H	α-helix	trans	-61.7	-46.4	170.9	173.4	0	0	0	0	110.3	F138 F139 R144 H145 L230 I238	F138-V142 HydrophobicContact CD1-CG2 4.22Å; F138-V142 HydrophobicContact CE1-CG2 3.76Å; F138-V142 HydrophobicContact CE2-CG2 4.21Å; F138-V142 HydrophobicContact CZ-CG2 3.75Å; F138-V142 WeakPolarHBondContact O-CG2 3.45Å; F138-V142 PolarHBondContact O-N 2.77Å; F139-V142 PolarHBondContact O-N 3.43Å; V142-R144 PolarHBondContact O-N 3.47Å; V142-H145 PolarHBondContact O-N 3.29Å; V142-L230 HydrophobicContact CG1-CD1 4.2Å; V142-L230 HydrophobicContact CG1-CD2 3.71Å; V142-I238 HydrophobicContact CB-CD1 4.37Å; V142-I238 HydrophobicContact CG2-CD1 3.72Å
143	C	77.9	Confident	76.9	Confident	47 Å²	47	72.7 Å²	72.7	32%	0.318	36%	0.358	S	S	.	.	H	α-helix	trans	-57.2	-33.8	-178.8	-71.1	0	0	0	0	113.4	F139 L140 H145 I146	F139-C143 WeakPolarHBondContact CE2-SG 2.85Å; F139-C143 WeakPolarHBondContact CZ-SG 3.34Å; F139-C143 PolarHBondContact O-N 2.97Å; F139-C143 PolarHBondContact O-SG 2.81Å; L140-C143 PolarHBondContact O-N 3.01Å; C143-H145 PolarHBondContact O-N 3.15Å; C143-I146 PolarHBondContact O-N 3.39Å
144	R	79.9	Confident	78.7	Confident	192 Å²	192	69.8 Å²	69.8	73%	0.725	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.8	177.3	-72.6	171.5	-178	-177	-3.1	114	L140 D141 V142	L140-R144 WeakPolarHBondContact O-CG 3.36Å; L140-R144 PolarHBondContact O-N 3.26Å; D141-R144 PolarHBondContact O-N 3.19Å; D141-R144 IonicContact OD1-NH1 2.68Å; V142-R144 PolarHBondContact O-N 3.47Å
145	H	79.5	Confident	80.4	Confident	73 Å²	73	71.4 Å²	71.4	34%	0.338	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	3.8	-176.7	-59.7	92.6	0	0	0	113.1	D141 V142 C143 L230 V234	D141-H145 PolarHBondContact O-CE1 3.34Å; D141-H145 PolarHBondContact O-ND1 3.25Å; V142-H145 PolarHBondContact O-N 3.29Å; C143-H145 PolarHBondContact O-N 3.15Å; H145-L230 HydrophobicContact CB-CD1 4.09Å; H145-V234 HydrophobicContact CB-CB 4.26Å; H145-V234 HydrophobicContact CB-CG1 3.54Å; H145-V234 HydrophobicContact CB-CG2 3.78Å
146	I	83.4	Confident	81.7	Confident	48 Å²	48	71.3 Å²	71.3	25%	0.246	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.8	175.1	-63.5	178.5	0	0	0	108.1	C143 L228 L230	C143-I146 PolarHBondContact O-N 3.39Å; I146-L228 HydrophobicContact CG2-CB 3.62Å; I146-L228 HydrophobicContact CG2-CD1 4.29Å; I146-L228 HydrophobicContact CG2-CD2 3.91Å; I146-L228 HydrophobicContact CG2-CG 4.13Å; I146-L230 HydrophobicContact CG1-CD1 4.28Å
147	E	86	Confident	82.8	Confident	80 Å²	80	66.9 Å²	66.9	37%	0.374	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.2	173.6	-69.8	-176.7	-178.4	0	0	110.6	L228 E229 R231	E147-L228 CarbonylContact O-C 3.54Å; E147-L228 WeakPolarHBondContact O-CA 3.32Å; E147-E229 PolarHBondContact N-O 2.93Å; E147-E229 PolarHBondContact O-N 3.26Å; E147-R231 IonicContact OE1-CZ 3.49Å; E147-R231 IonicContact OE1-NH1 3.95Å; E147-R231 IonicContact OE1-NH2 2.64Å; E147-R231 PolarHBondContact OE1-NH2 2.85Å; E147-R231 IonicContact OE2-CZ 3.05Å; E147-R231 IonicContact OE2-NH1 2.71Å; E147-R231 PolarHBondContact OE2-NH1 3.41Å; E147-R231 IonicContact OE2-NH2 2.77Å; E147-R231 PolarHBondContact OE2-NH2 2.99Å
148	T	89	Confident	83.6	Confident	66 Å²	66	63.9 Å²	63.9	41%	0.405	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.3	174.4	-51	0	0	0	0	109.9	Y150 V226 L228	T148-Y150 HydrophobicContact CG2-CE2 4.49Å; T148-V226 HydrophobicContact CG2-CG1 3.29Å; T148-L228 HydrophobicContact CG2-CD2 4.09Å; T148-L228 VanDerWaalsContact OG1-CD2 3.31Å; T148-L228 WeakPolarHBondContact OG1-CD2 3.42Å
149	K	89.7	Confident	84.1	Confident	71 Å²	71	68.4 Å²	68.4	31%	0.309	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.6	175.3	-70.7	-172.2	-178.8	171.3	0	111.3	F151 V227 E229	K149-F151 HydrophobicContact CB-CD2 4.41Å; K149-F151 HydrophobicContact CB-CE2 3.63Å; K149-F151 HydrophobicContact CB-CZ 4.04Å; K149-F151 HydrophobicContact CD-CZ 4.26Å; K149-V227 PolarHBondContact N-O 3.2Å; K149-V227 PolarHBondContact O-N 3.1Å; K149-E229 VanDerWaalsContact CD-OE2 3.25Å; K149-E229 WeakPolarHBondContact CD-OE2 3.41Å; K149-E229 WeakPolarHBondContact CE-OE2 3.26Å; K149-E229 VanDerWaalsContact NZ-CD 3.28Å; K149-E229 IonicContact NZ-OE1 3.18Å; K149-E229 PolarHBondContact NZ-OE1 3.37Å; K149-E229 IonicContact NZ-OE2 2.64Å; K149-E229 PolarHBondContact NZ-OE2 3.46Å
150	Y	92.7	Very high	84.2	Confident	176 Å²	176	71 Å²	71	69%	0.69	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.6	176.8	-63.6	-90	0	0	0	109.3	T148 V226	T148-Y150 HydrophobicContact CG2-CE2 4.49Å; Y150-V226 HydrophobicContact CD1-CB 4.49Å; Y150-V226 HydrophobicContact CD1-CG1 4.41Å; Y150-V226 HydrophobicContact CD1-CG2 3.63Å; Y150-V226 HydrophobicContact CE1-CB 4.41Å; Y150-V226 HydrophobicContact CE1-CG1 4.07Å; Y150-V226 HydrophobicContact CE1-CG2 3.51Å
151	F	91.4	Very high	83.6	Confident	19 Å²	19	66.8 Å²	66.8	8%	0.083	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126	175.9	-65.3	-83.8	0	0	0	109.2	K149 Q155 I157 A221 D224 S225 V227	K149-F151 HydrophobicContact CB-CD2 4.41Å; K149-F151 HydrophobicContact CB-CE2 3.63Å; K149-F151 HydrophobicContact CB-CZ 4.04Å; K149-F151 HydrophobicContact CD-CZ 4.26Å; F151-Q155 HydrophobicContact CD1-CG 4.19Å; F151-I157 HydrophobicContact CD1-CG1 3.89Å; F151-I157 HydrophobicContact CD2-CD1 4.46Å; F151-I157 HydrophobicContact CD2-CG1 4.01Å; F151-I157 HydrophobicContact CE1-CB 4.15Å; F151-I157 HydrophobicContact CE1-CG1 3.87Å; F151-I157 HydrophobicContact CE1-CG2 4.27Å; F151-I157 HydrophobicContact CE2-CG1 3.99Å; F151-I157 HydrophobicContact CE2-CG2 4.27Å; F151-I157 HydrophobicContact CG-CG1 3.96Å; F151-I157 HydrophobicContact CZ-CB 4.17Å; F151-I157 HydrophobicContact CZ-CG1 3.92Å; F151-I157 HydrophobicContact CZ-CG2 3.82Å; F151-A221 HydrophobicContact CB-CB 3.98Å; F151-D224 WeakPolarHBondContact O-CA 2.91Å; F151-S225 PolarHBondContact N-O 3.38Å; F151-S225 PolarHBondContact O-N 3.29Å; F151-V227 HydrophobicContact CD2-CB 4.09Å; F151-V227 HydrophobicContact CD2-CG2 3.83Å; F151-V227 HydrophobicContact CE2-CB 3.97Å; F151-V227 HydrophobicContact CE2-CG2 4.17Å
152	S	93.9	Very high	83.1	Confident	68 Å²	68	74 Å²	74	48%	0.476	37%	0.365	S	S	.	.			trans	-75.5	157.8	172.9	61.9	0	0	0	0	110.9	G154 Q155	S152-G154 PolarHBondContact O-N 3.41Å; S152-Q155 WeakPolarHBondContact O-CB 3.16Å; S152-Q155 PolarHBondContact O-N 2.96Å; S152-Q155 PolarHBondContact OG-OE1 2.78Å
153	T	93.1	Very high	82.4	Confident	82 Å²	82	73.7 Å²	73.7	50%	0.503	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	129.2	175.3	-61.5	0	0	0	0	111.5	Q155 V222 D224	T153-Q155 VanDerWaalsContact C-N 3.26Å; T153-Q155 PolarHBondContact O-N 3.4Å; T153-V222 VanDerWaalsContact CG2-O 3.29Å; T153-V222 WeakPolarHBondContact CG2-O 3.27Å; T153-D224 WeakPolarHBondContact CB-OD1 3.4Å; T153-D224 PolarHBondContact N-OD1 2.99Å; T153-D224 PolarHBondContact OG1-N 3.31Å; T153-D224 PolarHBondContact OG1-OD1 2.83Å
154	G	87.7	Confident	81.3	Confident	44 Å²	44	72.1 Å²	72.1	45%	0.454	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-9.1	-178	0	0	0	0	0	115.2	S152 A221	S152-G154 PolarHBondContact O-N 3.41Å; G154-A221 WeakPolarHBondContact CA-O 3.33Å; G154-A221 PolarHBondContact N-O 2.9Å
155	Q	92	Very high	80.6	Confident	83 Å²	83	65.1 Å²	65.1	39%	0.388	33%	0.331	S	S	.	.			trans	-72	135.6	178	-168.8	-179.9	-2.4	0	0	110.6	F151 S152 T153 K220 A221	F151-Q155 HydrophobicContact CD1-CG 4.19Å; S152-Q155 WeakPolarHBondContact O-CB 3.16Å; S152-Q155 PolarHBondContact O-N 2.96Å; S152-Q155 PolarHBondContact OG-OE1 2.78Å; T153-Q155 VanDerWaalsContact C-N 3.26Å; T153-Q155 PolarHBondContact O-N 3.4Å; Q155-K220 WeakPolarHBondContact O-CA 3.21Å; Q155-A221 PolarHBondContact O-N 3.26Å
156	Y	87	Confident	80.4	Confident	83 Å²	83	62.1 Å²	62.1	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.7	173.4	-72.8	-96.4	0	0	0	111	Q159 A219 K220	Y156-Q159 HydrophobicContact CD1-CG 3.51Å; Y156-Q159 HydrophobicContact CD2-CG 4.29Å; Y156-Q159 HydrophobicContact CE1-CG 4.18Å; Y156-Q159 VanDerWaalsContact CE2-NE2 3.26Å; Y156-Q159 HydrophobicContact CG-CG 3.56Å; Y156-A219 WeakPolarHBondContact CA-O 3.35Å; Y156-K220 HydrophobicContact CD1-CB 3.89Å; Y156-K220 HydrophobicContact CE1-CB 4.04Å; Y156-K220 HydrophobicContact CG-CB 4.18Å
157	I	85.1	Confident	80.2	Confident	23 Å²	23	61.5 Å²	61.5	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-47.2	171.6	-61.1	171.6	0	0	0	109	F151 Y168 L175 A219 V227	F151-I157 HydrophobicContact CD1-CG1 3.89Å; F151-I157 HydrophobicContact CD2-CD1 4.46Å; F151-I157 HydrophobicContact CD2-CG1 4.01Å; F151-I157 HydrophobicContact CE1-CB 4.15Å; F151-I157 HydrophobicContact CE1-CG1 3.87Å; F151-I157 HydrophobicContact CE1-CG2 4.27Å; F151-I157 HydrophobicContact CE2-CG1 3.99Å; F151-I157 HydrophobicContact CE2-CG2 4.27Å; F151-I157 HydrophobicContact CG-CG1 3.96Å; F151-I157 HydrophobicContact CZ-CB 4.17Å; F151-I157 HydrophobicContact CZ-CG1 3.92Å; F151-I157 HydrophobicContact CZ-CG2 3.82Å; I157-Y168 HydrophobicContact CG2-CD1 3.98Å; I157-Y168 HydrophobicContact CG2-CE1 3.62Å; I157-Y168 HydrophobicContact CG2-CE2 4.48Å; I157-L175 HydrophobicContact CD1-CD1 3.24Å; I157-L175 HydrophobicContact CD1-CD2 3.41Å; I157-L175 VanDerWaalsContact CD1-CD2 3.41Å; I157-L175 HydrophobicContact CD1-CG 3.85Å; I157-L175 HydrophobicContact CG1-CD2 4.45Å; I157-A219 PolarHBondContact N-O 2.75Å; I157-V227 HydrophobicContact CD1-CG2 4.21Å
158	F	84	Confident	80.1	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.035	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.5	172.3	57	-98.7	0	0	0	109.9	K162 I163 Y168 L177 L197 V217 S218 A219	F158-K162 HydrophobicContact CB-CB 4.18Å; F158-I163 HydrophobicContact CD1-CG1 4Å; F158-I163 HydrophobicContact CD2-CD1 4.16Å; F158-I163 HydrophobicContact CD2-CG1 3.46Å; F158-I163 VanDerWaalsContact CD2-CG1 3.46Å; F158-I163 HydrophobicContact CE1-CD1 4.28Å; F158-I163 HydrophobicContact CE1-CG1 3.71Å; F158-I163 HydrophobicContact CE2-CD1 3.37Å; F158-I163 HydrophobicContact CE2-CG1 3.16Å; F158-I163 HydrophobicContact CG-CG1 3.89Å; F158-I163 HydrophobicContact CZ-CD1 3.43Å; F158-I163 VanDerWaalsContact CZ-CD1 3.43Å; F158-I163 HydrophobicContact CZ-CG1 3.28Å; F158-Y168 HydrophobicContact CD1-CD2 4.37Å; F158-Y168 AromaticContact CD1-CE2 3.69Å; F158-Y168 HydrophobicContact CD1-CE2 3.69Å; F158-Y168 HydrophobicContact CE1-CD2 4.11Å; F158-Y168 AromaticContact CE1-CE2 3.84Å; F158-Y168 HydrophobicContact CE1-CE2 3.84Å; F158-L177 HydrophobicContact CZ-CD1 4.28Å; F158-L197 HydrophobicContact CE1-CD2 3.81Å; F158-L197 HydrophobicContact CZ-CD2 4Å; F158-V217 HydrophobicContact CE2-CG1 4.09Å; F158-S218 VanDerWaalsContact CE2-C 3.47Å; F158-S218 WeakPolarHBondContact O-CA 3.4Å; F158-S218 WeakPolarHBondContact O-CB 3.43Å; F158-A219 HydrophobicContact CD1-CB 4.24Å; F158-A219 HydrophobicContact CE1-CB 3.52Å; F158-A219 HydrophobicContact CE2-CB 3.87Å; F158-A219 HydrophobicContact CZ-CB 3.29Å; F158-A219 PolarHBondContact O-N 3.44Å; F158-A219 VanDerWaalsContact O-N 3.14Å
159	Q	80.2	Confident	80	Confident	100 Å²	100	57.5 Å²	57.5	47%	0.467	29%	0.292	S	S	.	.			trans	-125.4	150.7	174	-71.7	-179.5	-23.8	0	0	109.5	Y156 G161 K162	Y156-Q159 HydrophobicContact CD1-CG 3.51Å; Y156-Q159 HydrophobicContact CD2-CG 4.29Å; Y156-Q159 HydrophobicContact CE1-CG 4.18Å; Y156-Q159 VanDerWaalsContact CE2-NE2 3.26Å; Y156-Q159 HydrophobicContact CG-CG 3.56Å; Q159-G161 VanDerWaalsContact C-N 3.27Å; Q159-G161 PolarHBondContact O-N 3.49Å; Q159-K162 PolarHBondContact O-N 3.1Å
160	D	69.4	Low	79.9	Confident	109 Å²	109	54.2 Å²	54.2	58%	0.583	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	41.8	174.1	-60.2	-31.3	0	0	0	114.6	K215	D160-K215 CarbonylContact C-O 3.56Å; D160-K215 WeakPolarHBondContact CA-O 3.4Å
161	G	63.4	Low	79.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	13.1	170	0	0	0	0	0	117.6	Q159 I163 S213 L214 V217	Q159-G161 VanDerWaalsContact C-N 3.27Å; Q159-G161 PolarHBondContact O-N 3.49Å; G161-I163 PolarHBondContact O-N 3.36Å; G161-S213 WeakPolarHBondContact O-CA 3.34Å; G161-S213 WeakPolarHBondContact O-CB 3.37Å; G161-L214 WeakPolarHBondContact CA-O 3.23Å; G161-L214 PolarHBondContact N-O 2.81Å; G161-L214 PolarHBondContact O-N 3.01Å; G161-V217 PolarHBondContact N-O 3.18Å; G161-V217 VanDerWaalsContact N-O 3.09Å
162	K	63.1	Low	79.5	Confident	169 Å²	169	52.9 Å²	52.9	74%	0.735	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	21.6	167.7	-65.5	-176.6	-177.7	176.5	0	114.4	F158 Q159 G164	F158-K162 HydrophobicContact CB-CB 4.18Å; Q159-K162 PolarHBondContact O-N 3.1Å; K162-G164 PolarHBondContact O-N 2.99Å; K162-G164 VanDerWaalsContact O-N 3.13Å
163	I	62.4	Low	79.4	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.036	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.4	166.4	-70.3	178.4	0	0	0	111.6	F158 G161 D165 C166 L214 V217 L490	F158-I163 HydrophobicContact CD1-CG1 4Å; F158-I163 HydrophobicContact CD2-CD1 4.16Å; F158-I163 HydrophobicContact CD2-CG1 3.46Å; F158-I163 VanDerWaalsContact CD2-CG1 3.46Å; F158-I163 HydrophobicContact CE1-CD1 4.28Å; F158-I163 HydrophobicContact CE1-CG1 3.71Å; F158-I163 HydrophobicContact CE2-CD1 3.37Å; F158-I163 HydrophobicContact CE2-CG1 3.16Å; F158-I163 HydrophobicContact CG-CG1 3.89Å; F158-I163 HydrophobicContact CZ-CD1 3.43Å; F158-I163 VanDerWaalsContact CZ-CD1 3.43Å; F158-I163 HydrophobicContact CZ-CG1 3.28Å; G161-I163 PolarHBondContact O-N 3.36Å; I163-D165 PolarHBondContact O-N 3.32Å; I163-C166 PolarHBondContact O-N 2.67Å; I163-L214 HydrophobicContact CD1-CD1 4.34Å; I163-V217 HydrophobicContact CD1-CB 3.84Å; I163-V217 HydrophobicContact CD1-CG1 3.6Å; I163-L490 HydrophobicContact CD1-CD1 4.01Å
164	G	55.1	Low	79.3	Confident	14 Å²	14	48 Å²	48	14%	0.144	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-0.3	-154.5	0	0	0	0	0	119.6	K162	K162-G164 PolarHBondContact O-N 2.99Å; K162-G164 VanDerWaalsContact O-N 3.13Å
165	D	65	Low	79.5	Confident	45 Å²	45	46 Å²	46	24%	0.241	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.9	9.4	-179.1	-80.1	-33	0	0	0	114.2	I163 K211 R231 S232	I163-D165 PolarHBondContact O-N 3.32Å; D165-K211 IonicContact OD1-NZ 3.75Å; D165-K211 IonicContact OD2-NZ 2.78Å; D165-K211 PolarHBondContact OD2-NZ 3.48Å; D165-R231 CarbonylContact O-C 3.38Å; D165-R231 VanDerWaalsContact O-CA 3.23Å; D165-R231 WeakPolarHBondContact O-CA 3.44Å; D165-S232 VanDerWaalsContact CG-OG 3.3Å; D165-S232 PolarHBondContact O-N 2.92Å; D165-S232 PolarHBondContact OD1-OG 2.98Å
166	C	74.8	Confident	79.5	Confident	9 Å²	9	42 Å²	42	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.5	-175.1	-47.2	0	0	0	0	115	I163 Y168 E229 L230	I163-C166 PolarHBondContact O-N 2.67Å; C166-Y168 HydrophobicContact CB-CD1 4.49Å; C166-Y168 HydrophobicContact CB-CD2 4.43Å; C166-Y168 HydrophobicContact CB-CE1 3.96Å; C166-Y168 HydrophobicContact CB-CE2 3.88Å; C166-E229 HydrophobicContact CB-CG 3.57Å; C166-E229 VanDerWaalsContact SG-CG 3.54Å; C166-E229 PolarHBondContact SG-OE1 2.97Å; C166-L230 CarbonylContact C-O 3.55Å; C166-L230 VanDerWaalsContact CA-O 3.25Å; C166-L230 WeakPolarHBondContact CA-O 3.43Å
167	I	79.4	Confident	79.7	Confident	36 Å²	36	38 Å²	38	19%	0.185	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.2	157	-57.1	176.4	0	0	0	106.8	Y198 L203 L230 F235	I167-Y198 HydrophobicContact CG2-CD1 4.29Å; I167-L203 HydrophobicContact CD1-CD2 3.57Å; I167-L203 HydrophobicContact CG1-CD2 3.55Å; I167-L230 HydrophobicContact CB-CB 4.34Å; I167-L230 HydrophobicContact CD1-CD2 4.28Å; I167-L230 PolarHBondContact N-O 3.17Å; I167-L230 PolarHBondContact O-N 2.76Å; I167-F235 HydrophobicContact CD1-CE1 4.24Å; I167-F235 HydrophobicContact CD1-CZ 3.67Å; I167-F235 HydrophobicContact CG1-CZ 4.01Å
168	Y	84.4	Confident	80	Confident	12 Å²	12	37.6 Å²	37.6	5%	0.047	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.4	173.8	-57.1	-82.1	0	0	0	109.9	I157 F158 C166 L197 V227 L228 E229	I157-Y168 HydrophobicContact CG2-CD1 3.98Å; I157-Y168 HydrophobicContact CG2-CE1 3.62Å; I157-Y168 HydrophobicContact CG2-CE2 4.48Å; F158-Y168 HydrophobicContact CD1-CD2 4.37Å; F158-Y168 AromaticContact CD1-CE2 3.69Å; F158-Y168 HydrophobicContact CD1-CE2 3.69Å; F158-Y168 HydrophobicContact CE1-CD2 4.11Å; F158-Y168 AromaticContact CE1-CE2 3.84Å; F158-Y168 HydrophobicContact CE1-CE2 3.84Å; C166-Y168 HydrophobicContact CB-CD1 4.49Å; C166-Y168 HydrophobicContact CB-CD2 4.43Å; C166-Y168 HydrophobicContact CB-CE1 3.96Å; C166-Y168 HydrophobicContact CB-CE2 3.88Å; Y168-L197 HydrophobicContact CD2-CD2 4.39Å; Y168-L197 PolarHBondContact N-O 3.25Å; Y168-L197 PolarHBondContact O-N 2.94Å; Y168-V227 HydrophobicContact CD1-CG1 3.99Å; Y168-V227 HydrophobicContact CG-CG1 4.41Å; Y168-L228 CarbonylContact C-O 3.53Å; Y168-L228 WeakPolarHBondContact CA-O 3.17Å; Y168-E229 HydrophobicContact CD1-CB 4.35Å; Y168-E229 HydrophobicContact CD1-CG 4.22Å; Y168-E229 HydrophobicContact CE1-CB 4.4Å; Y168-E229 HydrophobicContact CE1-CG 3.88Å
169	M	85.1	Confident	80.2	Confident	50 Å²	50	37.3 Å²	37.3	25%	0.246	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131	172.7	-176.6	-178.8	-172.1	0	0	108.8	F131 Q171 G194 V227 L228	F131-M169 HydrophobicContact CE2-CE 4.24Å; F131-M169 HydrophobicContact CE2-SD 4.05Å; M169-Q171 PolarHBondContact O-N 3.37Å; M169-G194 VanDerWaalsContact CE-O 3.28Å; M169-G194 WeakPolarHBondContact CE-O 3.24Å; M169-V227 CarbonylContact O-C 3.6Å; M169-V227 WeakPolarHBondContact O-CA 3.47Å; M169-L228 HydrophobicContact CB-CB 4.27Å; M169-L228 PolarHBondContact N-O 3.43Å; M169-L228 PolarHBondContact O-N 3.47Å
170	V	87.6	Confident	80.5	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.2	-178.9	-175.7	0	0	0	0	108.4	L175 I191 P193 G194 E195	V170-L175 HydrophobicContact CG2-CD1 3.44Å; V170-L175 VanDerWaalsContact CG2-CD1 3.44Å; V170-L175 HydrophobicContact CG2-CG 3.68Å; V170-I191 HydrophobicContact CG2-CB 4.32Å; V170-I191 HydrophobicContact CG2-CG2 3.7Å; V170-P193 CarbonylContact O-C 3.54Å; V170-P193 WeakPolarHBondContact O-CA 3.25Å; V170-G194 PolarHBondContact O-N 3.12Å; V170-E195 PolarHBondContact N-O 2.92Å
171	Q	87.6	Confident	81	Confident	113 Å²	113	32.2 Å²	32.2	53%	0.528	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-41.6	173.5	-177.7	-177.9	-8.2	0	0	111	M169 V226 L228	M169-Q171 PolarHBondContact O-N 3.37Å; Q171-V226 HydrophobicContact CB-CB 4.46Å; Q171-V226 HydrophobicContact CB-CG1 4.36Å; Q171-V226 PolarHBondContact N-O 3.05Å; Q171-L228 HydrophobicContact CB-CD1 4.41Å; Q171-L228 HydrophobicContact CB-CG 4.18Å
172	S	89	Confident	81.7	Confident	53 Å²	53	35.2 Å²	35.2	37%	0.371	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	153.9	173.5	59.7	0	0	0	0	109.9	S225 V226	S172-S225 CarbonylContact O-C 3.46Å; S172-S225 VanDerWaalsContact O-CA 3.29Å; S172-S225 WeakPolarHBondContact O-CA 3.1Å; S172-V226 PolarHBondContact N-O 3.47Å; S172-V226 PolarHBondContact O-N 3.16Å; S172-V226 WeakPolarHBondContact OG-CB 3.41Å; S172-V226 VanDerWaalsContact OG-CG2 3.26Å; S172-V226 WeakPolarHBondContact OG-CG2 3.5Å
173	G	91	Very high	82.3	Confident	22 Å²	22	36.8 Å²	36.8	23%	0.227	21%	0.21	C	C	.	.	S	Bend	trans	92.9	-161.1	-173.9	0	0	0	0	0	113.2	P193 S225	G173-P193 VanDerWaalsContact O-CD 3.24Å; G173-P193 WeakPolarHBondContact O-CD 3.37Å; G173-P193 VanDerWaalsContact O-CG 3.25Å; G173-P193 WeakPolarHBondContact O-CG 3.1Å; G173-S225 WeakPolarHBondContact CA-OG 3.33Å
174	C	92	Very high	83.3	Confident	27 Å²	27	37.8 Å²	37.8	18%	0.182	22%	0.217	C	C	.	.			trans	-149.5	135.4	-176.3	-178.9	0	0	0	0	111	I191 V222 S225	C174-I191 WeakPolarHBondContact CA-O 3.25Å; C174-V222 PolarHBondContact O-N 3.32Å; C174-S225 PolarHBondContact N-OG 3.11Å; C174-S225 PolarHBondContact O-OG 3.08Å
175	L	92.5	Very high	84.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.5	176.9	-49.1	176.1	0	0	0	110.7	I157 V170 K190 I191 K220 A221 V227	I157-L175 HydrophobicContact CD1-CD1 3.24Å; I157-L175 HydrophobicContact CD1-CD2 3.41Å; I157-L175 VanDerWaalsContact CD1-CD2 3.41Å; I157-L175 HydrophobicContact CD1-CG 3.85Å; I157-L175 HydrophobicContact CG1-CD2 4.45Å; V170-L175 HydrophobicContact CG2-CD1 3.44Å; V170-L175 VanDerWaalsContact CG2-CD1 3.44Å; V170-L175 HydrophobicContact CG2-CG 3.68Å; L175-K190 CarbonylContact O-C 3.53Å; L175-K190 WeakPolarHBondContact O-CA 3.49Å; L175-I191 HydrophobicContact CB-CB 4.14Å; L175-I191 HydrophobicContact CB-CD1 4.26Å; L175-I191 HydrophobicContact CB-CG1 4.46Å; L175-I191 PolarHBondContact N-O 3.32Å; L175-I191 PolarHBondContact O-N 2.71Å; L175-K220 WeakPolarHBondContact CA-O 3.23Å; L175-A221 HydrophobicContact CD2-CB 4.01Å; L175-V227 HydrophobicContact CD1-CG2 3.93Å; L175-V227 HydrophobicContact CD2-CG2 4.08Å; L175-V227 HydrophobicContact CG-CG2 4.39Å
176	A	91.5	Very high	85.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.9	171.1	0	0	0	0	0	110.1	F178 E187 A219 K220 V222	A176-F178 HydrophobicContact CB-CD2 4.45Å; A176-F178 HydrophobicContact CB-CE2 3.47Å; A176-F178 VanDerWaalsContact CB-CE2 3.47Å; A176-F178 HydrophobicContact CB-CZ 3.87Å; A176-F178 WeakPolarHBondContact O-CD2 3.41Å; A176-F178 WeakPolarHBondContact O-CE2 3.38Å; A176-E187 HydrophobicContact CB-CG 4.3Å; A176-A219 WeakPolarHBondContact O-CA 3.4Å; A176-K220 PolarHBondContact N-O 3.48Å; A176-K220 PolarHBondContact O-N 3.03Å; A176-V222 HydrophobicContact CB-CG2 3.46Å; A176-V222 VanDerWaalsContact CB-CG2 3.46Å
177	L	91.7	Very high	86.5	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.2	178.1	-175.8	71.1	0	0	0	109.8	F158 V188 K189 L197 V217 A219 L490	F158-L177 HydrophobicContact CZ-CD1 4.28Å; L177-V188 PolarHBondContact O-N 3.2Å; L177-K189 HydrophobicContact CB-CB 4.22Å; L177-K189 WeakPolarHBondContact CB-O 3.37Å; L177-K189 HydrophobicContact CD2-CB 4.29Å; L177-K189 PolarHBondContact N-O 3.22Å; L177-L197 HydrophobicContact CD1-CD1 4.11Å; L177-L197 HydrophobicContact CD2-CD1 4.41Å; L177-V217 HydrophobicContact CD1-CG1 3.48Å; L177-V217 VanDerWaalsContact CD1-CG1 3.48Å; L177-V217 HydrophobicContact CG-CG1 4.29Å; L177-A219 HydrophobicContact CD1-CB 4.36Å; L177-L490 HydrophobicContact CD2-CB 3.76Å; L177-L490 HydrophobicContact CD2-CD1 4.46Å
178	F	90.3	Very high	86.9	Confident	14 Å²	14	42.4 Å²	42.4	6%	0.061	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.2	178.4	-64.9	-91.5	0	0	0	110.9	A176 E185 F186 E187 V217 S218 K220	A176-F178 HydrophobicContact CB-CD2 4.45Å; A176-F178 HydrophobicContact CB-CE2 3.47Å; A176-F178 VanDerWaalsContact CB-CE2 3.47Å; A176-F178 HydrophobicContact CB-CZ 3.87Å; A176-F178 WeakPolarHBondContact O-CD2 3.41Å; A176-F178 WeakPolarHBondContact O-CE2 3.38Å; F178-E185 HydrophobicContact CD1-CB 4.45Å; F178-F186 VanDerWaalsContact CA-O 3.23Å; F178-F186 WeakPolarHBondContact CA-O 3.19Å; F178-E187 HydrophobicContact CD1-CB 4.09Å; F178-E187 HydrophobicContact CE1-CB 3.56Å; F178-E187 HydrophobicContact CE1-CG 3.94Å; F178-E187 HydrophobicContact CZ-CB 4.05Å; F178-E187 HydrophobicContact CZ-CG 3.89Å; F178-V217 WeakPolarHBondContact O-CA 3.46Å; F178-S218 PolarHBondContact N-O 3.43Å; F178-S218 PolarHBondContact O-N 2.88Å; F178-K220 HydrophobicContact CD2-CD 4.06Å; F178-K220 HydrophobicContact CD2-CG 4.29Å; F178-K220 HydrophobicContact CE2-CD 3.41Å; F178-K220 VanDerWaalsContact CE2-CD 3.41Å; F178-K220 HydrophobicContact CE2-CG 3.67Å; F178-K220 HydrophobicContact CZ-CD 3.97Å
179	I	89.2	Confident	87.1	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.1	173	-55.3	-177.4	0	0	0	108.4	F186 V188 N216 V217 E487 L577	I179-F186 PolarHBondContact N-O 3.23Å; I179-F186 PolarHBondContact O-N 3.34Å; I179-V188 HydrophobicContact CB-CG2 3.76Å; I179-V188 HydrophobicContact CD1-CB 4.17Å; I179-V188 HydrophobicContact CD1-CG1 4.11Å; I179-V188 HydrophobicContact CD1-CG2 3.72Å; I179-V188 HydrophobicContact CG1-CB 4.25Å; I179-V188 HydrophobicContact CG1-CG2 3.56Å; I179-N216 WeakPolarHBondContact CA-O 3.45Å; I179-V217 HydrophobicContact CG1-CG1 4.49Å; I179-V217 HydrophobicContact CG1-CG2 4.41Å; I179-E487 HydrophobicContact CD1-CB 4.14Å; I179-E487 WeakPolarHBondContact CD1-O 3.09Å; I179-E487 HydrophobicContact CG2-CB 4.49Å; I179-L577 HydrophobicContact CB-CD2 4.03Å; I179-L577 HydrophobicContact CD1-CD2 4.03Å; I179-L577 HydrophobicContact CG2-CD2 3.94Å
180	K	85.7	Confident	87.4	Confident	78 Å²	78	44.9 Å²	44.9	34%	0.339	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.6	-177.6	-171.8	172.7	-177.8	168.5	0	110.7	G182 V184 E185 N216	K180-G182 WeakPolarHBondContact CE-O 3.13Å; K180-V184 WeakPolarHBondContact CA-O 3.44Å; K180-E185 HydrophobicContact CB-CG 4.07Å; K180-E185 HydrophobicContact CD-CG 4.34Å; K180-E185 HydrophobicContact CG-CG 4.02Å; K180-N216 HydrophobicContact CB-CB 4.47Å; K180-N216 PolarHBondContact N-O 3.03Å
181	A	80.2	Confident	87.4	Confident	24 Å²	24	44.8 Å²	44.8	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	98.1	170.8	0	0	0	0	0	109.7	K183 V184 F186 L577 V581	A181-K183 PolarHBondContact O-N 3.28Å; A181-V184 PolarHBondContact N-O 3.17Å; A181-V184 PolarHBondContact O-N 3.24Å; A181-F186 HydrophobicContact CB-CD2 4.24Å; A181-F186 HydrophobicContact CB-CE2 4.01Å; A181-L577 HydrophobicContact CB-CD1 3.89Å; A181-V581 HydrophobicContact CB-CG2 3.63Å
182	G	77.3	Confident	87.4	Confident	64 Å²	64	45.2 Å²	45.2	66%	0.66	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	-112.9	-176.8	0	0	0	0	0	112.1	K180	K180-G182 WeakPolarHBondContact CE-O 3.13Å
183	K	77.5	Confident	87.2	Confident	201 Å²	201	46.2 Å²	46.2	87%	0.874	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-5.5	179.2	-67	-171.3	179.2	-176.8	0	113.7	A181	A181-K183 PolarHBondContact O-N 3.28Å
184	V	82.4	Confident	86.5	Confident	28 Å²	28	47 Å²	47	17%	0.17	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.6	-174	-177.1	0	0	0	0	109.7	K180 A181 F186 R1177	K180-V184 WeakPolarHBondContact CA-O 3.44Å; A181-V184 PolarHBondContact N-O 3.17Å; A181-V184 PolarHBondContact O-N 3.24Å; V184-F186 HydrophobicContact CB-CE2 3.95Å; V184-F186 HydrophobicContact CB-CZ 4.34Å; V184-F186 HydrophobicContact CG1-CD2 4.23Å; V184-F186 HydrophobicContact CG1-CE1 4.37Å; V184-F186 HydrophobicContact CG1-CE2 3.72Å; V184-F186 HydrophobicContact CG1-CZ 3.8Å; V184-R1177 HydrophobicContact CG2-CB 3.93Å; V184-R1177 HydrophobicContact CG2-CG 3.79Å
185	E	85.1	Confident	86.1	Confident	87 Å²	87	47.6 Å²	47.6	41%	0.407	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.4	172.4	-68.3	-179.5	-178.1	0	0	108.9	F178 K180	F178-E185 HydrophobicContact CD1-CB 4.45Å; K180-E185 HydrophobicContact CB-CG 4.07Å; K180-E185 HydrophobicContact CD-CG 4.34Å; K180-E185 HydrophobicContact CG-CG 4.02Å
186	F	86.9	Confident	85.7	Confident	37 Å²	37	49.3 Å²	49.3	16%	0.162	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.9	176.8	-68.1	-89.6	0	0	0	108.9	F178 I179 A181 V184 V188 L577 S580	F178-F186 VanDerWaalsContact CA-O 3.23Å; F178-F186 WeakPolarHBondContact CA-O 3.19Å; I179-F186 PolarHBondContact N-O 3.23Å; I179-F186 PolarHBondContact O-N 3.34Å; A181-F186 HydrophobicContact CB-CD2 4.24Å; A181-F186 HydrophobicContact CB-CE2 4.01Å; V184-F186 HydrophobicContact CB-CE2 3.95Å; V184-F186 HydrophobicContact CB-CZ 4.34Å; V184-F186 HydrophobicContact CG1-CD2 4.23Å; V184-F186 HydrophobicContact CG1-CE1 4.37Å; V184-F186 HydrophobicContact CG1-CE2 3.72Å; V184-F186 HydrophobicContact CG1-CZ 3.8Å; F186-V188 HydrophobicContact CB-CG2 4.24Å; F186-V188 WeakPolarHBondContact O-CG2 3.31Å; F186-V188 PolarHBondContact O-N 3.24Å; F186-L577 HydrophobicContact CB-CB 4.34Å; F186-L577 HydrophobicContact CB-CD1 4.24Å; F186-L577 HydrophobicContact CD2-CD1 3.6Å; F186-L577 HydrophobicContact CE2-CD1 4.23Å; F186-L577 HydrophobicContact CG-CB 4.38Å; F186-L577 HydrophobicContact CG-CD1 4.03Å; F186-S580 WeakPolarHBondContact CE2-OG 3.36Å; F186-S580 VanDerWaalsContact CZ-OG 3.24Å; F186-S580 WeakPolarHBondContact CZ-OG 3.31Å
187	E	89.7	Confident	85.4	Confident	75 Å²	75	49.6 Å²	49.6	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	110.9	167.4	-171	175.6	160.8	0	0	108.1	A176 F178 K190 G573	A176-E187 HydrophobicContact CB-CG 4.3Å; F178-E187 HydrophobicContact CD1-CB 4.09Å; F178-E187 HydrophobicContact CE1-CB 3.56Å; F178-E187 HydrophobicContact CE1-CG 3.94Å; F178-E187 HydrophobicContact CZ-CB 4.05Å; F178-E187 HydrophobicContact CZ-CG 3.89Å; E187-K190 WeakPolarHBondContact OE1-CE 3.48Å; E187-K190 VanDerWaalsContact OE1-CG 3.27Å; E187-K190 WeakPolarHBondContact OE1-CG 3.38Å; E187-G573 WeakPolarHBondContact O-CA 3.33Å
188	V	88	Confident	84.9	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-41.3	-169.7	-176.2	0	0	0	0	111.8	L177 I179 F186 A491 Q571 L574 L577	L177-V188 PolarHBondContact O-N 3.2Å; I179-V188 HydrophobicContact CB-CG2 3.76Å; I179-V188 HydrophobicContact CD1-CB 4.17Å; I179-V188 HydrophobicContact CD1-CG1 4.11Å; I179-V188 HydrophobicContact CD1-CG2 3.72Å; I179-V188 HydrophobicContact CG1-CB 4.25Å; I179-V188 HydrophobicContact CG1-CG2 3.56Å; F186-V188 HydrophobicContact CB-CG2 4.24Å; F186-V188 WeakPolarHBondContact O-CG2 3.31Å; F186-V188 PolarHBondContact O-N 3.24Å; V188-A491 HydrophobicContact CG1-CB 3.3Å; V188-Q571 WeakPolarHBondContact O-CB 3.29Å; V188-L574 HydrophobicContact CG1-CB 3.87Å; V188-L574 HydrophobicContact CG1-CD1 4.17Å; V188-L577 HydrophobicContact CG2-CD2 4.15Å
189	K	89.8	Confident	84.4	Confident	3 Å²	3	51 Å²	51	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	137	-177.1	178.6	176.3	176.3	-174.8	0	110.4	L177 I191 E195 D493 Q571	L177-K189 HydrophobicContact CB-CB 4.22Å; L177-K189 WeakPolarHBondContact CB-O 3.37Å; L177-K189 HydrophobicContact CD2-CB 4.29Å; L177-K189 PolarHBondContact N-O 3.22Å; K189-I191 HydrophobicContact CD-CG1 4.38Å; K189-I191 HydrophobicContact CG-CG1 4.24Å; K189-E195 WeakPolarHBondContact CE-OE2 3.28Å; K189-E195 IonicContact NZ-OE2 3.66Å; K189-E195 PolarHBondContact NZ-OE2 2.9Å; K189-D493 WeakPolarHBondContact CE-OD2 3.42Å; K189-D493 IonicContact NZ-OD1 3.51Å; K189-D493 PolarHBondContact NZ-OD1 3.46Å; K189-D493 IonicContact NZ-OD2 3.84Å; K189-D493 PolarHBondContact NZ-OD2 3.47Å; K189-Q571 HydrophobicContact CB-CG 4.15Å; K189-Q571 HydrophobicContact CG-CG 4.09Å
190	K	89.4	Confident	84	Confident	110 Å²	110	51 Å²	51	48%	0.478	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.2	162.1	-66.8	177.8	-175.7	170.6	0	108.8	L175 E187	L175-K190 CarbonylContact O-C 3.53Å; L175-K190 WeakPolarHBondContact O-CA 3.49Å; E187-K190 WeakPolarHBondContact OE1-CE 3.48Å; E187-K190 VanDerWaalsContact OE1-CG 3.27Å; E187-K190 WeakPolarHBondContact OE1-CG 3.38Å
191	I	89.7	Confident	83.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.3	-172.6	-47	175.7	0	0	0	107.1	V170 C174 L175 K189 E195 L197	V170-I191 HydrophobicContact CG2-CB 4.32Å; V170-I191 HydrophobicContact CG2-CG2 3.7Å; C174-I191 WeakPolarHBondContact CA-O 3.25Å; L175-I191 HydrophobicContact CB-CB 4.14Å; L175-I191 HydrophobicContact CB-CD1 4.26Å; L175-I191 HydrophobicContact CB-CG1 4.46Å; L175-I191 PolarHBondContact N-O 3.32Å; L175-I191 PolarHBondContact O-N 2.71Å; K189-I191 HydrophobicContact CD-CG1 4.38Å; K189-I191 HydrophobicContact CG-CG1 4.24Å; I191-E195 HydrophobicContact CG2-CB 3.75Å; I191-L197 HydrophobicContact CD1-CB 3.88Å; I191-L197 HydrophobicContact CD1-CD1 3.67Å; I191-L197 HydrophobicContact CD1-CD2 3.69Å; I191-L197 HydrophobicContact CD1-CG 3.92Å
192	E	87.6	Confident	83.6	Confident	122 Å²	122	46.5 Å²	46.5	57%	0.57	25%	0.25	S	S	*	.			trans	-91.3	165.9	-178	-66.2	-166.4	166	0	0	111.5	G194 E195	E192-G194 PolarHBondContact O-N 3.4Å; E192-E195 PolarHBondContact N-OE2 3.39Å; E192-E195 WeakPolarHBondContact O-CB 3.32Å; E192-E195 PolarHBondContact O-N 3.04Å; E192-E195 VanDerWaalsContact O-N 3.1Å
193	P	84.8	Confident	83.5	Confident	75 Å²	75	43.9 Å²	43.9	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	134.6	174	-24	35	0	0	0	111.7	V170 G173 E195	V170-P193 CarbonylContact O-C 3.54Å; V170-P193 WeakPolarHBondContact O-CA 3.25Å; G173-P193 VanDerWaalsContact O-CD 3.24Å; G173-P193 WeakPolarHBondContact O-CD 3.37Å; G173-P193 VanDerWaalsContact O-CG 3.25Å; G173-P193 WeakPolarHBondContact O-CG 3.1Å; P193-E195 VanDerWaalsContact C-N 3.33Å
194	G	76.1	Confident	83.5	Confident	38 Å²	38	34.4 Å²	34.4	39%	0.392	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	-21.2	-176	0	0	0	0	0	114.1	M169 V170 E192	M169-G194 VanDerWaalsContact CE-O 3.28Å; M169-G194 WeakPolarHBondContact CE-O 3.24Å; V170-G194 PolarHBondContact O-N 3.12Å; E192-G194 PolarHBondContact O-N 3.4Å
195	E	82.7	Confident	83.1	Confident	39 Å²	39	33.1 Å²	33.1	18%	0.182	17%	0.172	C	C	.	.			trans	-80.2	136.6	-179	-66	-167.8	157.1	0	0	112.4	V170 K189 I191 E192 P193 K569	V170-E195 PolarHBondContact N-O 2.92Å; K189-E195 WeakPolarHBondContact CE-OE2 3.28Å; K189-E195 IonicContact NZ-OE2 3.66Å; K189-E195 PolarHBondContact NZ-OE2 2.9Å; I191-E195 HydrophobicContact CG2-CB 3.75Å; E192-E195 PolarHBondContact N-OE2 3.39Å; E192-E195 WeakPolarHBondContact O-CB 3.32Å; E192-E195 PolarHBondContact O-N 3.04Å; E192-E195 VanDerWaalsContact O-N 3.1Å; P193-E195 VanDerWaalsContact C-N 3.33Å; E195-K569 IonicContact OE1-NZ 2.68Å
196	P	84	Confident	82.4	Confident	37 Å²	37	29.5 Å²	29.5	24%	0.24	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	148.8	175.3	36.3	-35.9	0	0	0	112.1	L130 Y198	L130-P196 HydrophobicContact CD2-CG 4.27Å; P196-Y198 HydrophobicContact CB-CD1 3.86Å; P196-Y198 HydrophobicContact CB-CE1 3.79Å; P196-Y198 HydrophobicContact CG-CD1 4.32Å; P196-Y198 HydrophobicContact CG-CE1 3.81Å
197	L	85	Confident	81.6	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	101.9	173.3	177.1	59.6	0	0	0	110	F158 Y168 L177 I191 A219 L490	F158-L197 HydrophobicContact CE1-CD2 3.81Å; F158-L197 HydrophobicContact CZ-CD2 4Å; Y168-L197 HydrophobicContact CD2-CD2 4.39Å; Y168-L197 PolarHBondContact N-O 3.25Å; Y168-L197 PolarHBondContact O-N 2.94Å; L177-L197 HydrophobicContact CD1-CD1 4.11Å; L177-L197 HydrophobicContact CD2-CD1 4.41Å; I191-L197 HydrophobicContact CD1-CB 3.88Å; I191-L197 HydrophobicContact CD1-CD1 3.67Å; I191-L197 HydrophobicContact CD1-CD2 3.69Å; I191-L197 HydrophobicContact CD1-CG 3.92Å; L197-A219 HydrophobicContact CD2-CB 4.24Å; L197-L490 HydrophobicContact CD1-CD2 4.22Å
198	Y	80.5	Confident	80.5	Confident	44 Å²	44	27.2 Å²	27.2	17%	0.173	14%	0.144	C	C	.	.			trans	-158.2	153.8	172.9	66.4	-91.5	0	0	0	111.1	I167 P196 L203	I167-Y198 HydrophobicContact CG2-CD1 4.29Å; P196-Y198 HydrophobicContact CB-CD1 3.86Å; P196-Y198 HydrophobicContact CB-CE1 3.79Å; P196-Y198 HydrophobicContact CG-CD1 4.32Å; P196-Y198 HydrophobicContact CG-CE1 3.81Å; Y198-L203 HydrophobicContact CD2-CD1 3.11Å; Y198-L203 HydrophobicContact CD2-CG 3.89Å; Y198-L203 HydrophobicContact CE2-CD1 3.47Å; Y198-L203 VanDerWaalsContact CE2-CD1 3.47Å; Y198-L203 HydrophobicContact CG-CD1 3.77Å; Y198-L203 HydrophobicContact CG-CG 4.37Å
199	S	81.1	Confident	79.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.			trans	-98.2	130.7	165.2	163.8	0	0	0	0	109.5	L201 T202 L203 R486 D489 L490	S199-L201 PolarHBondContact O-N 2.98Å; S199-L201 PolarHBondContact OG-N 2.66Å; S199-T202 WeakPolarHBondContact CB-OG1 3.47Å; S199-T202 PolarHBondContact N-OG1 3.09Å; S199-T202 PolarHBondContact O-N 2.58Å; S199-T202 VanDerWaalsContact O-N 3.08Å; S199-T202 PolarHBondContact O-OG1 2.8Å; S199-L203 PolarHBondContact O-N 2.98Å; S199-R486 PolarHBondContact OG-O 2.81Å; S199-D489 VanDerWaalsContact CA-OD2 3.31Å; S199-D489 WeakPolarHBondContact CA-OD2 3.32Å; S199-D489 WeakPolarHBondContact CB-OD2 3.38Å; S199-D489 PolarHBondContact OG-OD2 3.3Å; S199-L490 VanDerWaalsContact N-CD2 3.28Å
200	S	81.4	Confident	78.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-49.9	-43.9	174.8	-49.7	0	0	0	0	111	L203 L204 R256 D489	S200-L203 PolarHBondContact O-N 2.77Å; S200-L204 VanDerWaalsContact O-CG 3.31Å; S200-L204 WeakPolarHBondContact O-CG 3.42Å; S200-L204 PolarHBondContact O-N 2.74Å; S200-R256 PolarHBondContact OG-NH1 2.88Å; S200-D489 WeakPolarHBondContact CB-OD2 3.26Å; S200-D489 PolarHBondContact N-OD2 2.85Å; S200-D489 PolarHBondContact OG-OD1 2.71Å; S200-D489 PolarHBondContact OG-OD2 3.04Å
201	L	80.1	Confident	77.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-73.5	-34.2	-179.3	-63.2	-176.4	0	0	0	113.2	S199 L204 D205 F257 F478 F481 V485 R486	S199-L201 PolarHBondContact O-N 2.98Å; S199-L201 PolarHBondContact OG-N 2.66Å; L201-L204 HydrophobicContact CD2-CD1 4.21Å; L201-L204 PolarHBondContact O-N 3.46Å; L201-D205 PolarHBondContact O-N 3.18Å; L201-F257 HydrophobicContact CD1-CD2 4.43Å; L201-F257 HydrophobicContact CD1-CE2 3.6Å; L201-F257 HydrophobicContact CD1-CZ 3.71Å; L201-F257 HydrophobicContact CD2-CD1 4.15Å; L201-F257 HydrophobicContact CD2-CD2 4.01Å; L201-F257 HydrophobicContact CD2-CE1 3.97Å; L201-F257 HydrophobicContact CD2-CE2 3.84Å; L201-F257 HydrophobicContact CD2-CG 4.17Å; L201-F257 HydrophobicContact CD2-CZ 3.82Å; L201-F257 HydrophobicContact CG-CD2 4.02Å; L201-F257 HydrophobicContact CG-CE2 3.68Å; L201-F257 HydrophobicContact CG-CZ 4.04Å; L201-F478 HydrophobicContact CD2-CB 4.15Å; L201-F478 HydrophobicContact CD2-CD1 3.44Å; L201-F478 VanDerWaalsContact CD2-CD1 3.44Å; L201-F478 HydrophobicContact CD2-CE1 4.16Å; L201-F478 HydrophobicContact CD2-CG 3.98Å; L201-F481 HydrophobicContact CD1-CB 4.02Å; L201-F481 HydrophobicContact CD1-CD2 4.24Å; L201-F481 HydrophobicContact CD1-CG 4.29Å; L201-F481 HydrophobicContact CD2-CD2 4.38Å; L201-V485 HydrophobicContact CD1-CG1 4.13Å; L201-R486 HydrophobicContact CB-CG 3.94Å; L201-R486 HydrophobicContact CD1-CB 4.49Å; L201-R486 HydrophobicContact CD1-CG 3.47Å; L201-R486 VanDerWaalsContact CD1-CG 3.47Å; L201-R486 HydrophobicContact CG-CG 4.34Å
202	T	76	Confident	76.1	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.043	21%	0.211	C	C	.	.	H	α-helix	trans	-69.8	-35.5	174.5	60.7	0	0	0	0	111.9	S199 L204 D205 M206 L214	S199-T202 WeakPolarHBondContact CB-OG1 3.47Å; S199-T202 PolarHBondContact N-OG1 3.09Å; S199-T202 PolarHBondContact O-N 2.58Å; S199-T202 VanDerWaalsContact O-N 3.08Å; S199-T202 PolarHBondContact O-OG1 2.8Å; T202-L204 VanDerWaalsContact C-N 3.31Å; T202-L204 PolarHBondContact O-N 3.33Å; T202-D205 PolarHBondContact O-N 2.85Å; T202-M206 WeakPolarHBondContact O-CG 3.25Å; T202-M206 PolarHBondContact O-N 3.14Å; T202-L214 HydrophobicContact CG2-CD1 3.78Å; T202-L214 HydrophobicContact CG2-CD2 4.28Å; T202-L214 HydrophobicContact CG2-CG 3.95Å
203	L	76.7	Confident	75.2	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-43.5	173	-75.9	176.8	0	0	0	111.7	I167 Y198 S199 S200 D205 M206 I207 I253	I167-L203 HydrophobicContact CD1-CD2 3.57Å; I167-L203 HydrophobicContact CG1-CD2 3.55Å; Y198-L203 HydrophobicContact CD2-CD1 3.11Å; Y198-L203 HydrophobicContact CD2-CG 3.89Å; Y198-L203 HydrophobicContact CE2-CD1 3.47Å; Y198-L203 VanDerWaalsContact CE2-CD1 3.47Å; Y198-L203 HydrophobicContact CG-CD1 3.77Å; Y198-L203 HydrophobicContact CG-CG 4.37Å; S199-L203 PolarHBondContact O-N 2.98Å; S200-L203 PolarHBondContact O-N 2.77Å; L203-D205 VanDerWaalsContact C-N 3.35Å; L203-D205 PolarHBondContact O-N 2.94Å; L203-M206 HydrophobicContact CB-CE 4.37Å; L203-M206 HydrophobicContact CD2-CE 3.32Å; L203-M206 HydrophobicContact CG-CE 4.04Å; L203-M206 WeakPolarHBondContact O-CB 3.26Å; L203-M206 PolarHBondContact O-N 3.22Å; L203-I207 WeakPolarHBondContact O-CD1 3.03Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 3.48Å; L203-I253 HydrophobicContact CB-CD1 4.43Å; L203-I253 HydrophobicContact CD1-CD1 3.87Å; L203-I253 HydrophobicContact CD1-CG1 4.41Å
204	L	76	Confident	74.5	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-37.3	177.9	-63.7	165.4	0	0	0	112.2	S200 L201 T202 I207 K208 I250 I253 L254 L474 F478	S200-L204 VanDerWaalsContact O-CG 3.31Å; S200-L204 WeakPolarHBondContact O-CG 3.42Å; S200-L204 PolarHBondContact O-N 2.74Å; L201-L204 HydrophobicContact CD2-CD1 4.21Å; L201-L204 PolarHBondContact O-N 3.46Å; T202-L204 VanDerWaalsContact C-N 3.31Å; T202-L204 PolarHBondContact O-N 3.33Å; L204-I207 HydrophobicContact CD2-CD1 4.4Å; L204-I207 PolarHBondContact O-N 2.96Å; L204-K208 PolarHBondContact O-N 3.42Å; L204-I250 HydrophobicContact CD2-CG2 4.09Å; L204-I253 HydrophobicContact CG-CG2 4.36Å; L204-L254 HydrophobicContact CD1-CD2 3.51Å; L204-L254 HydrophobicContact CD2-CD2 4.09Å; L204-L254 HydrophobicContact CD2-CG 4.48Å; L204-L254 HydrophobicContact CG-CD2 4.45Å; L204-L474 HydrophobicContact CB-CD2 4.03Å; L204-L474 HydrophobicContact CD2-CD2 4.27Å; L204-L474 WeakPolarHBondContact O-CD2 3.42Å; L204-F478 HydrophobicContact CB-CD2 4.38Å; L204-F478 HydrophobicContact CD1-CD1 4.27Å; L204-F478 HydrophobicContact CD1-CD2 3.79Å; L204-F478 HydrophobicContact CD1-CE1 4.16Å; L204-F478 HydrophobicContact CD1-CE2 3.65Å; L204-F478 HydrophobicContact CD1-CG 4.14Å; L204-F478 HydrophobicContact CD1-CZ 3.89Å
205	D	74.7	Confident	74.3	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-37.6	173.6	-72.9	-26.6	0	0	0	111.7	L201 T202 L203 I207 K208 R210 R212 R486	L201-D205 PolarHBondContact O-N 3.18Å; T202-D205 PolarHBondContact O-N 2.85Å; L203-D205 VanDerWaalsContact C-N 3.35Å; L203-D205 PolarHBondContact O-N 2.94Å; D205-I207 VanDerWaalsContact C-N 3.33Å; D205-I207 PolarHBondContact O-N 2.97Å; D205-K208 WeakPolarHBondContact O-CB 3.33Å; D205-K208 PolarHBondContact O-N 3.17Å; D205-K208 VanDerWaalsContact O-N 3.12Å; D205-R210 CarbonylContact C-O 3.39Å; D205-R210 PolarHBondContact O-N 3.35Å; D205-R210 VanDerWaalsContact O-O 3.12Å; D205-R212 IonicContact OD1-NH1 2.81Å; D205-R212 VanDerWaalsContact OD2-CD 3.31Å; D205-R212 WeakPolarHBondContact OD2-CD 3.14Å; D205-R212 IonicContact OD2-NH1 2.96Å; D205-R486 IonicContact OD2-CZ 3.78Å; D205-R486 IonicContact OD2-NH1 3.89Å; D205-R486 PolarHBondContact OD2-NH1 3.18Å; D205-R486 IonicContact OD2-NH2 2.85Å; D205-R486 PolarHBondContact OD2-NH2 3.25Å
206	M	69.5	Low	74.3	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-38.9	174.4	-73.3	-172.9	-71.4	0	0	111.8	T202 L203 K208 N209 F235	T202-M206 WeakPolarHBondContact O-CG 3.25Å; T202-M206 PolarHBondContact O-N 3.14Å; L203-M206 HydrophobicContact CB-CE 4.37Å; L203-M206 HydrophobicContact CD2-CE 3.32Å; L203-M206 HydrophobicContact CG-CE 4.04Å; L203-M206 WeakPolarHBondContact O-CB 3.26Å; L203-M206 PolarHBondContact O-N 3.22Å; M206-K208 VanDerWaalsContact C-N 3.25Å; M206-K208 PolarHBondContact O-N 3.34Å; M206-N209 WeakPolarHBondContact O-CA 3.2Å; M206-N209 PolarHBondContact O-N 3.24Å; M206-F235 HydrophobicContact CB-CD2 4.5Å; M206-F235 HydrophobicContact CE-CE2 4.48Å; M206-F235 HydrophobicContact SD-CE2 4.42Å
207	I	69.9	Low	74.4	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.067	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-31.8	175.2	-64.8	156	0	0	0	111.5	L203 L204 D205 N209 F239 W246 I250 L474	L203-I207 WeakPolarHBondContact O-CD1 3.03Å; L203-I207 VanDerWaalsContact O-CG1 3.29Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 3.48Å; L204-I207 HydrophobicContact CD2-CD1 4.4Å; L204-I207 PolarHBondContact O-N 2.96Å; D205-I207 VanDerWaalsContact C-N 3.33Å; D205-I207 PolarHBondContact O-N 2.97Å; I207-N209 PolarHBondContact O-N 3.04Å; I207-F239 HydrophobicContact CG2-CE2 4.43Å; I207-W246 HydrophobicContact CD1-CZ2 3.98Å; I207-W246 HydrophobicContact CG1-CZ2 3.97Å; I207-I250 HydrophobicContact CD1-CD1 3.68Å; I207-I250 HydrophobicContact CD1-CG1 3.69Å; I207-I250 HydrophobicContact CG2-CD1 4.15Å; I207-L474 HydrophobicContact CB-CD1 4.25Å; I207-L474 HydrophobicContact CG2-CD1 3.7Å
208	K	67.1	Low	74.5	Confident	51 Å²	51	42.6 Å²	42.6	22%	0.222	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	1.7	172	-71.1	174.5	167.2	170.6	0	113.5	L204 D205 M206 R210 L474	L204-K208 PolarHBondContact O-N 3.42Å; D205-K208 WeakPolarHBondContact O-CB 3.33Å; D205-K208 PolarHBondContact O-N 3.17Å; D205-K208 VanDerWaalsContact O-N 3.12Å; M206-K208 VanDerWaalsContact C-N 3.25Å; M206-K208 PolarHBondContact O-N 3.34Å; K208-R210 HydrophobicContact CB-CB 4.26Å; K208-R210 HydrophobicContact CB-CG 4Å; K208-R210 PolarHBondContact O-N 3.27Å; K208-R210 VanDerWaalsContact O-N 3.15Å; K208-L474 HydrophobicContact CD-CB 4.43Å; K208-L474 HydrophobicContact CD-CD1 4.5Å; K208-L474 HydrophobicContact CD-CD2 4.05Å; K208-L474 VanDerWaalsContact CE-CD2 3.44Å; K208-L474 WeakPolarHBondContact CE-O 3.4Å; K208-L474 HydrophobicContact CG-CB 4.22Å; K208-L474 HydrophobicContact CG-CD1 3.54Å; K208-L474 HydrophobicContact CG-CD2 3.89Å; K208-L474 HydrophobicContact CG-CG 4.05Å; K208-L474 PolarHBondContact NZ-O 2.92Å
209	N	64.5	Low	75	Confident	93 Å²	93	40.5 Å²	40.5	50%	0.497	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	26.9	-165.6	-72	-22.4	0	0	0	112.7	M206 I207 S236	M206-N209 WeakPolarHBondContact O-CA 3.2Å; M206-N209 PolarHBondContact O-N 3.24Å; I207-N209 PolarHBondContact O-N 3.04Å; N209-S236 PolarHBondContact ND2-OG 3.49Å; N209-S236 VanDerWaalsContact ND2-OG 3.17Å; N209-S236 PolarHBondContact OD1-OG 3.26Å
210	R	66.4	Low	75.4	Confident	127 Å²	127	43.5 Å²	43.5	48%	0.479	20%	0.203	S	C	.	.			trans	-99.3	118.2	176.1	-70.8	-173.4	-176.8	-164.8	-3.9	109.2	D205 K208 R212 E479	D205-R210 CarbonylContact C-O 3.39Å; D205-R210 PolarHBondContact O-N 3.35Å; D205-R210 VanDerWaalsContact O-O 3.12Å; K208-R210 HydrophobicContact CB-CB 4.26Å; K208-R210 HydrophobicContact CB-CG 4Å; K208-R210 PolarHBondContact O-N 3.27Å; K208-R210 VanDerWaalsContact O-N 3.15Å; R210-R212 PolarHBondContact O-N 3.31Å; R210-E479 IonicContact CZ-OE1 3.78Å; R210-E479 IonicContact NH1-OE1 3.22Å; R210-E479 PolarHBondContact NH1-OE1 3.33Å; R210-E479 IonicContact NH1-OE2 3.31Å
211	K	64.8	Low	75.9	Confident	151 Å²	151	43.5 Å²	43.5	66%	0.657	20%	0.203	S	C	*	.			trans	-81.9	107	176.5	-59	-166.7	178.5	-148.5	0	109.9	D165	D165-K211 IonicContact OD1-NZ 3.75Å; D165-K211 IonicContact OD2-NZ 2.78Å; D165-K211 PolarHBondContact OD2-NZ 3.48Å
212	R	68.2	Low	76.4	Confident	75 Å²	75	46.6 Å²	46.6	28%	0.283	22%	0.222	S	C	.	.			trans	-121.1	105.2	173.1	-78.1	-178.4	170.9	173.5	0.7	110.5	D205 R210 E479	D205-R212 IonicContact OD1-NH1 2.81Å; D205-R212 VanDerWaalsContact OD2-CD 3.31Å; D205-R212 WeakPolarHBondContact OD2-CD 3.14Å; D205-R212 IonicContact OD2-NH1 2.96Å; R210-R212 PolarHBondContact O-N 3.31Å; R212-E479 IonicContact CZ-OE1 3.97Å; R212-E479 IonicContact CZ-OE2 3.21Å; R212-E479 VanDerWaalsContact NH1-CB 3.29Å; R212-E479 IonicContact NH1-OE1 3.05Å; R212-E479 IonicContact NH1-OE2 3.58Å; R212-E479 IonicContact NH2-OE1 2.91Å; R212-E479 PolarHBondContact NH2-OE1 3.33Å; R212-E479 VanDerWaalsContact NH2-OE1 3.11Å; R212-E479 IonicContact NH2-OE2 3.86Å; R212-E479 PolarHBondContact NH2-OE2 3.1Å
213	S	68.6	Low	77.2	Confident	66 Å²	66	49.9 Å²	49.9	46%	0.462	24%	0.242	S	C	.	.			trans	-78.4	130.8	175.6	54.7	0	0	0	0	111.7	G161 K215	G161-S213 WeakPolarHBondContact O-CA 3.34Å; G161-S213 WeakPolarHBondContact O-CB 3.37Å; S213-K215 PolarHBondContact O-N 2.99Å
214	L	72	Confident	78.1	Confident	13 Å²	13	54.5 Å²	54.5	7%	0.068	27%	0.266	C	S	.	.			trans	-82.6	83.5	173	-66.6	176.8	0	0	0	110.7	G161 I163 T202 N216 V217 R486 L490	G161-L214 WeakPolarHBondContact CA-O 3.23Å; G161-L214 PolarHBondContact N-O 2.81Å; G161-L214 PolarHBondContact O-N 3.01Å; I163-L214 HydrophobicContact CD1-CD1 4.34Å; T202-L214 HydrophobicContact CG2-CD1 3.78Å; T202-L214 HydrophobicContact CG2-CD2 4.28Å; T202-L214 HydrophobicContact CG2-CG 3.95Å; L214-N216 PolarHBondContact O-N 2.83Å; L214-V217 HydrophobicContact CB-CB 4.32Å; L214-V217 HydrophobicContact CB-CG2 3.82Å; L214-V217 HydrophobicContact CD1-CG2 4.27Å; L214-V217 PolarHBondContact O-N 3.4Å; L214-R486 HydrophobicContact CD2-CB 3.81Å; L214-L490 HydrophobicContact CD1-CD1 3.81Å
215	K	71.6	Confident	78.8	Confident	156 Å²	156	54.5 Å²	54.5	68%	0.678	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-25.2	-167.6	-64.3	-174.1	179.4	-175.8	0	116.2	D160 S213	D160-K215 CarbonylContact C-O 3.56Å; D160-K215 WeakPolarHBondContact CA-O 3.4Å; S213-K215 PolarHBondContact O-N 2.99Å
216	N	81.7	Confident	79.7	Confident	67 Å²	67	55.4 Å²	55.4	36%	0.358	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	2.1	-174.3	-58	-27	0	0	0	114.3	I179 K180 L214 E487	I179-N216 WeakPolarHBondContact CA-O 3.45Å; K180-N216 HydrophobicContact CB-CB 4.47Å; K180-N216 PolarHBondContact N-O 3.03Å; L214-N216 PolarHBondContact O-N 2.83Å; N216-E487 PolarHBondContact ND2-OE1 2.97Å
217	V	86.5	Confident	80.6	Confident	1 Å²	1	55 Å²	55	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.4	-172.4	-168.1	0	0	0	0	110.8	F158 G161 I163 L177 F178 I179 L214 E487 L490	F158-V217 HydrophobicContact CE2-CG1 4.09Å; G161-V217 PolarHBondContact N-O 3.18Å; G161-V217 VanDerWaalsContact N-O 3.09Å; I163-V217 HydrophobicContact CD1-CB 3.84Å; I163-V217 HydrophobicContact CD1-CG1 3.6Å; L177-V217 HydrophobicContact CD1-CG1 3.48Å; L177-V217 VanDerWaalsContact CD1-CG1 3.48Å; L177-V217 HydrophobicContact CG-CG1 4.29Å; F178-V217 WeakPolarHBondContact O-CA 3.46Å; I179-V217 HydrophobicContact CG1-CG1 4.49Å; I179-V217 HydrophobicContact CG1-CG2 4.41Å; L214-V217 HydrophobicContact CB-CB 4.32Å; L214-V217 HydrophobicContact CB-CG2 3.82Å; L214-V217 HydrophobicContact CD1-CG2 4.27Å; L214-V217 PolarHBondContact O-N 3.4Å; V217-E487 HydrophobicContact CG2-CG 3.84Å; V217-L490 HydrophobicContact CB-CD1 4.44Å; V217-L490 HydrophobicContact CG1-CD1 3.76Å; V217-L490 HydrophobicContact CG2-CD1 4.07Å
218	S	87.6	Confident	81.4	Confident	7 Å²	7	56 Å²	56	5%	0.049	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.5	172.6	64.2	0	0	0	0	110.7	F158 F178	F158-S218 VanDerWaalsContact CE2-C 3.47Å; F158-S218 WeakPolarHBondContact O-CA 3.4Å; F158-S218 WeakPolarHBondContact O-CB 3.43Å; F178-S218 PolarHBondContact N-O 3.43Å; F178-S218 PolarHBondContact O-N 2.88Å
219	A	89.5	Confident	82.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137	173.6	0	0	0	0	0	109.9	Y156 I157 F158 A176 L177 L197	Y156-A219 WeakPolarHBondContact CA-O 3.35Å; I157-A219 PolarHBondContact N-O 2.75Å; F158-A219 HydrophobicContact CD1-CB 4.24Å; F158-A219 HydrophobicContact CE1-CB 3.52Å; F158-A219 HydrophobicContact CE2-CB 3.87Å; F158-A219 HydrophobicContact CZ-CB 3.29Å; F158-A219 PolarHBondContact O-N 3.44Å; F158-A219 VanDerWaalsContact O-N 3.14Å; A176-A219 WeakPolarHBondContact O-CA 3.4Å; L177-A219 HydrophobicContact CD1-CB 4.36Å; L197-A219 HydrophobicContact CD2-CB 4.24Å
220	K	90.3	Very high	83.3	Confident	63 Å²	63	50.6 Å²	50.6	27%	0.274	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.1	179.4	81.4	-165.3	-172.4	-166.9	0	111.1	Q155 Y156 L175 A176 F178	Q155-K220 WeakPolarHBondContact O-CA 3.21Å; Y156-K220 HydrophobicContact CD1-CB 3.89Å; Y156-K220 HydrophobicContact CE1-CB 4.04Å; Y156-K220 HydrophobicContact CG-CB 4.18Å; L175-K220 WeakPolarHBondContact CA-O 3.23Å; A176-K220 PolarHBondContact N-O 3.48Å; A176-K220 PolarHBondContact O-N 3.03Å; F178-K220 HydrophobicContact CD2-CD 4.06Å; F178-K220 HydrophobicContact CD2-CG 4.29Å; F178-K220 HydrophobicContact CE2-CD 3.41Å; F178-K220 VanDerWaalsContact CE2-CD 3.41Å; F178-K220 HydrophobicContact CE2-CG 3.67Å; F178-K220 HydrophobicContact CZ-CD 3.97Å
221	A	91.3	Very high	83.9	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.8	173.1	0	0	0	0	0	110	F151 G154 Q155 L175	F151-A221 HydrophobicContact CB-CB 3.98Å; G154-A221 WeakPolarHBondContact CA-O 3.33Å; G154-A221 PolarHBondContact N-O 2.9Å; Q155-A221 PolarHBondContact O-N 3.26Å; L175-A221 HydrophobicContact CD2-CB 4.01Å
222	V	90.9	Very high	84.3	Confident	64 Å²	64	41.8 Å²	41.8	39%	0.388	21%	0.213	S	C	.	.	S	Bend	trans	-82.5	-35.3	175.2	-179.4	0	0	0	0	110.4	T153 C174 A176	T153-V222 VanDerWaalsContact CG2-O 3.29Å; T153-V222 WeakPolarHBondContact CG2-O 3.27Å; C174-V222 PolarHBondContact O-N 3.32Å; A176-V222 HydrophobicContact CB-CG2 3.46Å; A176-V222 VanDerWaalsContact CB-CG2 3.46Å
223	V	93.1	Very high	84.6	Confident	77 Å²	77	43 Å²	43	47%	0.467	23%	0.229	S	C	.	.	S	Bend	trans	-127.7	160.7	175.3	-178.5	0	0	0	0	107.3	S225	V223-S225 WeakPolarHBondContact O-CB 3.03Å; V223-S225 PolarHBondContact O-N 2.86Å; V223-S225 PolarHBondContact O-OG 3.44Å
224	D	94.8	Very high	84.7	Confident	106 Å²	106	40.6 Å²	40.6	57%	0.567	21%	0.211	S	C	*	.	S	Bend	trans	-51.1	117.1	169.7	-66.7	-4.4	0	0	0	109.3	F151 T153	F151-D224 WeakPolarHBondContact O-CA 2.91Å; T153-D224 WeakPolarHBondContact CB-OD1 3.4Å; T153-D224 PolarHBondContact N-OD1 2.99Å; T153-D224 PolarHBondContact OG1-N 3.31Å; T153-D224 PolarHBondContact OG1-OD1 2.83Å
225	S	92.3	Very high	84.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.1	-166.2	-61.3	0	0	0	0	111.6	F151 S172 G173 C174 V223	F151-S225 PolarHBondContact N-O 3.38Å; F151-S225 PolarHBondContact O-N 3.29Å; S172-S225 CarbonylContact O-C 3.46Å; S172-S225 VanDerWaalsContact O-CA 3.29Å; S172-S225 WeakPolarHBondContact O-CA 3.1Å; G173-S225 WeakPolarHBondContact CA-OG 3.33Å; C174-S225 PolarHBondContact N-OG 3.11Å; C174-S225 PolarHBondContact O-OG 3.08Å; V223-S225 WeakPolarHBondContact O-CB 3.03Å; V223-S225 PolarHBondContact O-N 2.86Å; V223-S225 PolarHBondContact O-OG 3.44Å
226	V	92.5	Very high	84.5	Confident	22 Å²	22	35 Å²	35	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.8	172.5	-173.6	0	0	0	0	107.8	T148 Y150 Q171 S172	T148-V226 HydrophobicContact CG2-CG1 3.29Å; Y150-V226 HydrophobicContact CD1-CB 4.49Å; Y150-V226 HydrophobicContact CD1-CG1 4.41Å; Y150-V226 HydrophobicContact CD1-CG2 3.63Å; Y150-V226 HydrophobicContact CE1-CB 4.41Å; Y150-V226 HydrophobicContact CE1-CG1 4.07Å; Y150-V226 HydrophobicContact CE1-CG2 3.51Å; Q171-V226 HydrophobicContact CB-CB 4.46Å; Q171-V226 HydrophobicContact CB-CG1 4.36Å; Q171-V226 PolarHBondContact N-O 3.05Å; S172-V226 PolarHBondContact N-O 3.47Å; S172-V226 PolarHBondContact O-N 3.16Å; S172-V226 WeakPolarHBondContact OG-CB 3.41Å; S172-V226 VanDerWaalsContact OG-CG2 3.26Å; S172-V226 WeakPolarHBondContact OG-CG2 3.5Å
227	V	88.4	Confident	84	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.4	-173.9	-176.9	0	0	0	0	109.3	K149 F151 I157 Y168 M169 L175	K149-V227 PolarHBondContact N-O 3.2Å; K149-V227 PolarHBondContact O-N 3.1Å; F151-V227 HydrophobicContact CD2-CB 4.09Å; F151-V227 HydrophobicContact CD2-CG2 3.83Å; F151-V227 HydrophobicContact CE2-CB 3.97Å; F151-V227 HydrophobicContact CE2-CG2 4.17Å; I157-V227 HydrophobicContact CD1-CG2 4.21Å; Y168-V227 HydrophobicContact CD1-CG1 3.99Å; Y168-V227 HydrophobicContact CG-CG1 4.41Å; M169-V227 CarbonylContact O-C 3.6Å; M169-V227 WeakPolarHBondContact O-CA 3.47Å; L175-V227 HydrophobicContact CD1-CG2 3.93Å; L175-V227 HydrophobicContact CD2-CG2 4.08Å; L175-V227 HydrophobicContact CG-CG2 4.39Å
228	L	88.1	Confident	83.2	Confident	35 Å²	35	35.1 Å²	35.1	18%	0.183	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.6	173	-59.8	179.5	0	0	0	109.1	I146 E147 T148 Y168 M169 Q171	I146-L228 HydrophobicContact CG2-CB 3.62Å; I146-L228 HydrophobicContact CG2-CD1 4.29Å; I146-L228 HydrophobicContact CG2-CD2 3.91Å; I146-L228 HydrophobicContact CG2-CG 4.13Å; E147-L228 CarbonylContact O-C 3.54Å; E147-L228 WeakPolarHBondContact O-CA 3.32Å; T148-L228 HydrophobicContact CG2-CD2 4.09Å; T148-L228 VanDerWaalsContact OG1-CD2 3.31Å; T148-L228 WeakPolarHBondContact OG1-CD2 3.42Å; Y168-L228 CarbonylContact C-O 3.53Å; Y168-L228 WeakPolarHBondContact CA-O 3.17Å; M169-L228 HydrophobicContact CB-CB 4.27Å; M169-L228 PolarHBondContact N-O 3.43Å; M169-L228 PolarHBondContact O-N 3.47Å; Q171-L228 HydrophobicContact CB-CD1 4.41Å; Q171-L228 HydrophobicContact CB-CG 4.18Å
229	E	86.3	Confident	82.2	Confident	10 Å²	10	35.4 Å²	35.4	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.1	-179	-174	-177.7	124.9	0	0	109.8	E147 K149 C166 Y168 R231	E147-E229 PolarHBondContact N-O 2.93Å; E147-E229 PolarHBondContact O-N 3.26Å; K149-E229 VanDerWaalsContact CD-OE2 3.25Å; K149-E229 WeakPolarHBondContact CD-OE2 3.41Å; K149-E229 WeakPolarHBondContact CE-OE2 3.26Å; K149-E229 VanDerWaalsContact NZ-CD 3.28Å; K149-E229 IonicContact NZ-OE1 3.18Å; K149-E229 PolarHBondContact NZ-OE1 3.37Å; K149-E229 IonicContact NZ-OE2 2.64Å; K149-E229 PolarHBondContact NZ-OE2 3.46Å; C166-E229 HydrophobicContact CB-CG 3.57Å; C166-E229 VanDerWaalsContact SG-CG 3.54Å; C166-E229 PolarHBondContact SG-OE1 2.97Å; Y168-E229 HydrophobicContact CD1-CB 4.35Å; Y168-E229 HydrophobicContact CD1-CG 4.22Å; Y168-E229 HydrophobicContact CE1-CB 4.4Å; Y168-E229 HydrophobicContact CE1-CG 3.88Å; E229-R231 HydrophobicContact CG-CG 4.32Å; E229-R231 WeakPolarHBondContact OE1-CD 3.4Å; E229-R231 WeakPolarHBondContact OE1-CG 3.25Å; E229-R231 IonicContact OE1-CZ 3.81Å; E229-R231 IonicContact OE1-NH1 2.82Å; E229-R231 PolarHBondContact OE1-NH1 2.98Å
230	L	83.3	Confident	81.2	Confident	20 Å²	20	40.6 Å²	40.6	11%	0.105	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.1	170.5	180	66	0	0	0	109.9	V142 H145 I146 C166 I167 F235	V142-L230 HydrophobicContact CG1-CD1 4.2Å; V142-L230 HydrophobicContact CG1-CD2 3.71Å; H145-L230 HydrophobicContact CB-CD1 4.09Å; I146-L230 HydrophobicContact CG1-CD1 4.28Å; C166-L230 CarbonylContact C-O 3.55Å; C166-L230 VanDerWaalsContact CA-O 3.25Å; C166-L230 WeakPolarHBondContact CA-O 3.43Å; I167-L230 HydrophobicContact CB-CB 4.34Å; I167-L230 HydrophobicContact CD1-CD2 4.28Å; I167-L230 PolarHBondContact N-O 3.17Å; I167-L230 PolarHBondContact O-N 2.76Å; L230-F235 HydrophobicContact CD2-CE1 3.73Å; L230-F235 HydrophobicContact CD2-CZ 4.06Å; L230-F235 HydrophobicContact CG-CE1 4.22Å; L230-F235 HydrophobicContact CG-CZ 4.28Å
231	R	79.9	Confident	80.5	Confident	81 Å²	81	42.6 Å²	42.6	31%	0.306	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	148.5	-175.4	-68.2	-153.3	-91.7	-90.9	3.6	114.6	E147 D165 E229 T233 V234	E147-R231 IonicContact OE1-CZ 3.49Å; E147-R231 IonicContact OE1-NH1 3.95Å; E147-R231 IonicContact OE1-NH2 2.64Å; E147-R231 PolarHBondContact OE1-NH2 2.85Å; E147-R231 IonicContact OE2-CZ 3.05Å; E147-R231 IonicContact OE2-NH1 2.71Å; E147-R231 PolarHBondContact OE2-NH1 3.41Å; E147-R231 IonicContact OE2-NH2 2.77Å; E147-R231 PolarHBondContact OE2-NH2 2.99Å; D165-R231 CarbonylContact O-C 3.38Å; D165-R231 VanDerWaalsContact O-CA 3.23Å; D165-R231 WeakPolarHBondContact O-CA 3.44Å; E229-R231 HydrophobicContact CG-CG 4.32Å; E229-R231 WeakPolarHBondContact OE1-CD 3.4Å; E229-R231 WeakPolarHBondContact OE1-CG 3.25Å; E229-R231 IonicContact OE1-CZ 3.81Å; E229-R231 IonicContact OE1-NH1 2.82Å; E229-R231 PolarHBondContact OE1-NH1 2.98Å; R231-T233 VanDerWaalsContact C-N 3.29Å; R231-T233 PolarHBondContact O-N 3.3Å; R231-V234 VanDerWaalsContact O-CB 3.31Å; R231-V234 WeakPolarHBondContact O-CB 3.33Å; R231-V234 WeakPolarHBondContact O-CG2 3.24Å; R231-V234 PolarHBondContact O-N 2.88Å
232	S	73	Confident	79.7	Confident	11 Å²	11	45.3 Å²	45.3	8%	0.077	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-30.2	-177	68.8	0	0	0	0	113.8	D165 V234 F235	D165-S232 VanDerWaalsContact CG-OG 3.3Å; D165-S232 PolarHBondContact O-N 2.92Å; D165-S232 PolarHBondContact OD1-OG 2.98Å; S232-V234 PolarHBondContact O-N 3.08Å; S232-V234 VanDerWaalsContact O-N 3.09Å; S232-F235 VanDerWaalsContact CA-CD2 3.42Å; S232-F235 WeakPolarHBondContact O-CB 3.41Å; S232-F235 PolarHBondContact O-N 3.46Å
233	T	73.8	Confident	78.7	Confident	100 Å²	100	44 Å²	44	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-55.8	-28.4	176.8	51.7	0	0	0	0	112.3	R231	R231-T233 VanDerWaalsContact C-N 3.29Å; R231-T233 PolarHBondContact O-N 3.3Å
234	V	71.4	Confident	77.7	Confident	16 Å²	16	47.4 Å²	47.4	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-76.4	-33	-179.4	-176.9	0	0	0	0	111.3	H145 R231 S232 S236 A237 I238	H145-V234 HydrophobicContact CB-CB 4.26Å; H145-V234 HydrophobicContact CB-CG1 3.54Å; H145-V234 HydrophobicContact CB-CG2 3.78Å; R231-V234 VanDerWaalsContact O-CB 3.31Å; R231-V234 WeakPolarHBondContact O-CB 3.33Å; R231-V234 WeakPolarHBondContact O-CG2 3.24Å; R231-V234 PolarHBondContact O-N 2.88Å; S232-V234 PolarHBondContact O-N 3.08Å; S232-V234 VanDerWaalsContact O-N 3.09Å; V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 PolarHBondContact O-N 2.88Å; V234-A237 PolarHBondContact O-N 3.31Å; V234-I238 HydrophobicContact CG1-CD1 3.43Å; V234-I238 VanDerWaalsContact CG1-CD1 3.43Å; V234-I238 HydrophobicContact CG1-CG1 3.82Å; V234-I238 PolarHBondContact O-N 2.93Å
235	F	71.1	Confident	76.7	Confident	15 Å²	15	42.8 Å²	42.8	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-41.1	-175.8	-64.7	-47	0	0	0	111.6	I167 M206 L230 S232 A237 I238 F239 W246	I167-F235 HydrophobicContact CD1-CE1 4.24Å; I167-F235 HydrophobicContact CD1-CZ 3.67Å; I167-F235 HydrophobicContact CG1-CZ 4.01Å; M206-F235 HydrophobicContact CB-CD2 4.5Å; M206-F235 HydrophobicContact CE-CE2 4.48Å; M206-F235 HydrophobicContact SD-CE2 4.42Å; L230-F235 HydrophobicContact CD2-CE1 3.73Å; L230-F235 HydrophobicContact CD2-CZ 4.06Å; L230-F235 HydrophobicContact CG-CE1 4.22Å; L230-F235 HydrophobicContact CG-CZ 4.28Å; S232-F235 VanDerWaalsContact CA-CD2 3.42Å; S232-F235 WeakPolarHBondContact O-CB 3.41Å; S232-F235 PolarHBondContact O-N 3.46Å; F235-A237 VanDerWaalsContact C-N 3.35Å; F235-A237 PolarHBondContact O-N 3.38Å; F235-I238 PolarHBondContact O-N 3.48Å; F235-F239 WeakPolarHBondContact O-CB 3.31Å; F235-F239 PolarHBondContact O-N 3.01Å; F235-W246 AromaticContact CD1-CH2 3.85Å; F235-W246 HydrophobicContact CD1-CH2 3.85Å; F235-W246 HydrophobicContact CD1-CZ2 4Å; F235-W246 HydrophobicContact CE1-CH2 4.01Å; F235-W246 HydrophobicContact CE1-CZ2 4.5Å; F235-W246 HydrophobicContact CG-CZ2 4.45Å
236	S	68.5	Low	75.7	Confident	37 Å²	37	43.8 Å²	43.8	26%	0.259	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-39.2	177.3	-78.9	0	0	0	0	112.9	N209 V234 N240	N209-S236 PolarHBondContact ND2-OG 3.49Å; N209-S236 VanDerWaalsContact ND2-OG 3.17Å; N209-S236 PolarHBondContact OD1-OG 3.26Å; V234-S236 VanDerWaalsContact C-N 3.28Å; V234-S236 PolarHBondContact O-N 2.88Å; S236-N240 PolarHBondContact O-ND2 2.9Å
237	A	70.8	Confident	74.8	Confident	63 Å²	63	43.6 Å²	43.6	52%	0.521	23%	0.227	S	C	.	.	H	α-helix	trans	-71.2	-44.4	-179.7	0	0	0	0	0	111.8	V234 F235	V234-A237 PolarHBondContact O-N 3.31Å; F235-A237 VanDerWaalsContact C-N 3.35Å; F235-A237 PolarHBondContact O-N 3.38Å
238	I	69.9	Low	74.1	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-37.7	178.9	-62.7	-176.9	0	0	0	111.2	F138 V142 V234 F235 N240 K241 Y242	F138-I238 HydrophobicContact CD2-CG2 3.87Å; F138-I238 HydrophobicContact CE2-CG2 3.47Å; F138-I238 VanDerWaalsContact CE2-CG2 3.47Å; F138-I238 HydrophobicContact CZ-CG2 4.39Å; V142-I238 HydrophobicContact CB-CD1 4.37Å; V142-I238 HydrophobicContact CG2-CD1 3.72Å; V234-I238 HydrophobicContact CG1-CD1 3.43Å; V234-I238 VanDerWaalsContact CG1-CD1 3.43Å; V234-I238 HydrophobicContact CG1-CG1 3.82Å; V234-I238 PolarHBondContact O-N 2.93Å; F235-I238 PolarHBondContact O-N 3.48Å; I238-N240 VanDerWaalsContact C-N 3.3Å; I238-N240 PolarHBondContact O-N 3.37Å; I238-K241 PolarHBondContact O-N 3.37Å; I238-Y242 HydrophobicContact CG2-CD2 4.45Å; I238-Y242 PolarHBondContact O-N 2.83Å
239	F	66.1	Low	73.5	Confident	12 Å²	12	46.3 Å²	46.3	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-55.1	-43.9	179	-176.2	-92.9	0	0	0	112.6	I207 F235 K241 W246 I467 L470 R471	I207-F239 HydrophobicContact CG2-CE2 4.43Å; F235-F239 WeakPolarHBondContact O-CB 3.31Å; F235-F239 PolarHBondContact O-N 3.01Å; F239-K241 PolarHBondContact O-N 3.3Å; F239-W246 HydrophobicContact CD2-CB 4.4Å; F239-W246 AromaticContact CD2-CD1 3.17Å; F239-W246 AromaticContact CD2-CG 3.91Å; F239-W246 HydrophobicContact CD2-CG 3.91Å; F239-W246 AromaticContact CD2-NE1 3.62Å; F239-W246 AromaticContact CE2-CD1 3.43Å; F239-W246 VanDerWaalsContact CE2-CD1 3.43Å; F239-W246 HydrophobicContact CE2-CG 4.39Å; F239-I467 HydrophobicContact CD1-CG2 4.23Å; F239-I467 HydrophobicContact CE1-CG2 3.59Å; F239-I467 HydrophobicContact CZ-CG2 4.45Å; F239-L470 HydrophobicContact CE2-CB 4.03Å; F239-L470 HydrophobicContact CE2-CD1 3.78Å; F239-L470 HydrophobicContact CE2-CG 4.44Å; F239-L470 HydrophobicContact CZ-CB 3.7Å; F239-L470 HydrophobicContact CZ-CD1 4.11Å; F239-R471 HydrophobicContact CE1-CG 4.45Å; F239-R471 HydrophobicContact CZ-CG 4.36Å
240	N	70.1	Confident	73	Confident	109 Å²	109	46.3 Å²	46.3	58%	0.583	24%	0.237	S	C	*	.	H	α-helix	trans	-68.9	-24.2	179.5	-68.8	-21.9	0	0	0	112.6	S236 I238	S236-N240 PolarHBondContact O-ND2 2.9Å; I238-N240 VanDerWaalsContact C-N 3.3Å; I238-N240 PolarHBondContact O-N 3.37Å
241	K	75.3	Confident	72.7	Confident	106 Å²	106	47.2 Å²	47.2	46%	0.461	24%	0.241	S	C	.	.	H	α-helix	trans	-89.1	-38.9	-176.2	-167.8	177	170.9	-168.7	0	112.9	D141 I238 F239	D141-K241 VanDerWaalsContact CG-NZ 3.3Å; D141-K241 IonicContact OD1-NZ 3.44Å; D141-K241 PolarHBondContact OD1-NZ 2.72Å; D141-K241 WeakPolarHBondContact OD2-CD 3.49Å; D141-K241 IonicContact OD2-NZ 3.75Å; D141-K241 PolarHBondContact OD2-NZ 3.35Å; I238-K241 PolarHBondContact O-N 3.37Å; F239-K241 PolarHBondContact O-N 3.3Å
242	Y	74.3	Confident	72.7	Confident	58 Å²	58	46.1 Å²	46.1	23%	0.227	24%	0.24	C	C	.	.			trans	-131.4	69.7	-175.9	-61.6	-73.5	0	0	0	112.4	P137 F138 D141 I238 K244 W246	P137-Y242 HydrophobicContact CB-CE1 4.42Å; F138-Y242 HydrophobicContact CB-CD2 4.44Å; F138-Y242 HydrophobicContact CB-CG 4.42Å; F138-Y242 HydrophobicContact CD2-CD2 4.08Å; F138-Y242 HydrophobicContact CD2-CG 4.18Å; D141-Y242 HydrophobicContact CB-CE2 4.28Å; I238-Y242 HydrophobicContact CG2-CD2 4.45Å; I238-Y242 PolarHBondContact O-N 2.83Å; Y242-K244 PolarHBondContact O-N 3.15Å; Y242-W246 PolarHBondContact O-N 3.1Å
243	P	70.6	Confident	73	Confident	35 Å²	35	46.2 Å²	46.2	23%	0.227	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-40.9	-171.1	29.7	-39.1	0	0	0	113.8	S245 W246 V247 I467	P243-S245 PolarHBondContact O-N 3.43Å; P243-W246 PolarHBondContact O-N 3.04Å; P243-V247 WeakPolarHBondContact O-CG2 3.46Å; P243-V247 PolarHBondContact O-N 3.18Å; P243-I467 HydrophobicContact CB-CD1 3.83Å; P243-I467 HydrophobicContact CB-CG1 3.24Å; P243-I467 HydrophobicContact CG-CD1 3.9Å; P243-I467 HydrophobicContact CG-CG1 3.8Å
244	K	71.9	Confident	73.4	Confident	150 Å²	150	41.5 Å²	41.5	65%	0.652	21%	0.211	S	C	*	.	H	α-helix	trans	-61.7	-42.8	-179	-67.3	-176.9	179.1	179.4	0	112.4	Y242 W246 V247 R248	Y242-K244 PolarHBondContact O-N 3.15Å; K244-W246 VanDerWaalsContact C-N 3.26Å; K244-W246 PolarHBondContact O-N 3.39Å; K244-V247 WeakPolarHBondContact O-CB 3.48Å; K244-V247 PolarHBondContact O-N 3.47Å; K244-R248 PolarHBondContact O-N 3.43Å
245	S	72.6	Confident	74	Confident	8 Å²	8	41.1 Å²	41.1	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-34	178.4	-49.3	0	0	0	0	111.4	P243 R248 T249	P243-S245 PolarHBondContact O-N 3.43Å; S245-R248 PolarHBondContact O-N 3.31Å; S245-T249 PolarHBondContact O-N 2.87Å; S245-T249 VanDerWaalsContact O-N 3.1Å; S245-T249 PolarHBondContact O-OG1 2.89Å
246	W	71.9	Confident	74.7	Confident	23 Å²	23	41.3 Å²	41.3	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-74.5	-33.2	176.9	-156.1	-112.6	0	0	0	113.7	F138 I207 F235 F239 Y242 P243 K244 R248 T249 I250 L470	F138-W246 AromaticContact CE2-CE3 3.98Å; F138-W246 HydrophobicContact CE2-CE3 3.98Å; F138-W246 HydrophobicContact CE2-CZ3 4.46Å; F138-W246 AromaticContact CZ-CE3 3.59Å; F138-W246 HydrophobicContact CZ-CE3 3.59Å; F138-W246 AromaticContact CZ-CZ3 3.72Å; F138-W246 HydrophobicContact CZ-CZ3 3.72Å; I207-W246 HydrophobicContact CD1-CZ2 3.98Å; I207-W246 HydrophobicContact CG1-CZ2 3.97Å; F235-W246 AromaticContact CD1-CH2 3.85Å; F235-W246 HydrophobicContact CD1-CH2 3.85Å; F235-W246 HydrophobicContact CD1-CZ2 4Å; F235-W246 HydrophobicContact CE1-CH2 4.01Å; F235-W246 HydrophobicContact CE1-CZ2 4.5Å; F235-W246 HydrophobicContact CG-CZ2 4.45Å; F239-W246 HydrophobicContact CD2-CB 4.4Å; F239-W246 AromaticContact CD2-CD1 3.17Å; F239-W246 AromaticContact CD2-CG 3.91Å; F239-W246 HydrophobicContact CD2-CG 3.91Å; F239-W246 AromaticContact CD2-NE1 3.62Å; F239-W246 AromaticContact CE2-CD1 3.43Å; F239-W246 VanDerWaalsContact CE2-CD1 3.43Å; F239-W246 HydrophobicContact CE2-CG 4.39Å; Y242-W246 PolarHBondContact O-N 3.1Å; P243-W246 PolarHBondContact O-N 3.04Å; K244-W246 VanDerWaalsContact C-N 3.26Å; K244-W246 PolarHBondContact O-N 3.39Å; W246-R248 VanDerWaalsContact C-N 3.27Å; W246-R248 PolarHBondContact O-N 2.88Å; W246-T249 HydrophobicContact CE3-CG2 3.94Å; W246-T249 HydrophobicContact CH2-CG2 4.26Å; W246-T249 HydrophobicContact CZ3-CG2 3.67Å; W246-T249 WeakPolarHBondContact O-CB 3.15Å; W246-T249 PolarHBondContact O-N 3.14Å; W246-T249 VanDerWaalsContact O-N 3.15Å; W246-I250 HydrophobicContact CG-CD1 4.29Å; W246-I250 PolarHBondContact O-N 3.41Å; W246-L470 HydrophobicContact CB-CD1 4.41Å
247	V	73.3	Confident	75.7	Confident	18 Å²	18	39.5 Å²	39.5	11%	0.109	20%	0.196	C	C	.	.	H	α-helix	trans	-54.7	-49.7	171.4	176.6	0	0	0	0	109.2	P243 K244 T249 I250 Q251 V464 L470	P243-V247 WeakPolarHBondContact O-CG2 3.46Å; P243-V247 PolarHBondContact O-N 3.18Å; K244-V247 WeakPolarHBondContact O-CB 3.48Å; K244-V247 PolarHBondContact O-N 3.47Å; V247-T249 VanDerWaalsContact C-N 3.33Å; V247-T249 PolarHBondContact O-N 2.77Å; V247-I250 PolarHBondContact O-N 3.33Å; V247-Q251 HydrophobicContact CG1-CG 4.44Å; V247-Q251 WeakPolarHBondContact O-CG 3.41Å; V247-Q251 PolarHBondContact O-N 3.18Å; V247-V464 HydrophobicContact CG1-CG1 3.53Å; V247-V464 HydrophobicContact CG2-CG1 4.49Å; V247-L470 HydrophobicContact CB-CD1 4.01Å; V247-L470 HydrophobicContact CB-CG 4.41Å; V247-L470 HydrophobicContact CG2-CD1 3.27Å; V247-L470 HydrophobicContact CG2-CG 3.7Å
248	R	74.5	Confident	76.4	Confident	74 Å²	74	37 Å²	37	28%	0.279	17%	0.173	S	C	.	.	H	α-helix	trans	-59.8	-44.1	178.3	-64.1	176.6	-179	150.6	-2	111.3	E135 K244 S245 W246 I250 Q251 M252 Y673	E135-R248 IonicContact OE1-NH1 3.58Å; E135-R248 PolarHBondContact OE1-NH1 3.01Å; K244-R248 PolarHBondContact O-N 3.43Å; S245-R248 PolarHBondContact O-N 3.31Å; W246-R248 VanDerWaalsContact C-N 3.27Å; W246-R248 PolarHBondContact O-N 2.88Å; R248-I250 VanDerWaalsContact C-N 3.35Å; R248-I250 PolarHBondContact O-N 2.91Å; R248-Q251 PolarHBondContact O-N 3.45Å; R248-M252 WeakPolarHBondContact O-CG 3.4Å; R248-M252 PolarHBondContact O-N 3Å; R248-Y673 HydrophobicContact CG-CE1 4.37Å
249	T	75	Confident	77.1	Confident	18 Å²	18	38 Å²	38	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-45	179	-48.6	0	0	0	0	111.6	F134 S245 W246 V247 M252 I253	F134-T249 HydrophobicContact CE1-CG2 4.04Å; F134-T249 WeakPolarHBondContact CE1-OG1 3.38Å; F134-T249 HydrophobicContact CZ-CG2 4.3Å; S245-T249 PolarHBondContact O-N 2.87Å; S245-T249 VanDerWaalsContact O-N 3.1Å; S245-T249 PolarHBondContact O-OG1 2.89Å; W246-T249 HydrophobicContact CE3-CG2 3.94Å; W246-T249 HydrophobicContact CH2-CG2 4.26Å; W246-T249 HydrophobicContact CZ3-CG2 3.67Å; W246-T249 WeakPolarHBondContact O-CB 3.15Å; W246-T249 PolarHBondContact O-N 3.14Å; W246-T249 VanDerWaalsContact O-N 3.15Å; V247-T249 VanDerWaalsContact C-N 3.33Å; V247-T249 PolarHBondContact O-N 2.77Å; T249-M252 PolarHBondContact O-N 3.02Å; T249-I253 HydrophobicContact CG2-CD1 4.17Å; T249-I253 WeakPolarHBondContact O-CG1 3.4Å; T249-I253 PolarHBondContact O-N 3.29Å
250	I	76.5	Confident	78.1	Confident	10 Å²	10	37.5 Å²	37.5	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-66.2	-43.6	178.1	-73.5	168.5	0	0	0	110.7	L204 I207 W246 V247 R248 M252 I253 L254 L470	L204-I250 HydrophobicContact CD2-CG2 4.09Å; I207-I250 HydrophobicContact CD1-CD1 3.68Å; I207-I250 HydrophobicContact CD1-CG1 3.69Å; I207-I250 HydrophobicContact CG2-CD1 4.15Å; W246-I250 HydrophobicContact CG-CD1 4.29Å; W246-I250 PolarHBondContact O-N 3.41Å; V247-I250 PolarHBondContact O-N 3.33Å; R248-I250 VanDerWaalsContact C-N 3.35Å; R248-I250 PolarHBondContact O-N 2.91Å; I250-M252 VanDerWaalsContact C-N 3.27Å; I250-M252 PolarHBondContact O-N 3.49Å; I250-I253 PolarHBondContact O-N 3.26Å; I250-L254 HydrophobicContact CG2-CD1 3.98Å; I250-L254 HydrophobicContact CG2-CG 4.26Å; I250-L254 WeakPolarHBondContact O-CB 3.45Å; I250-L254 VanDerWaalsContact O-CG 3.25Å; I250-L254 WeakPolarHBondContact O-CG 3.33Å; I250-L254 PolarHBondContact O-N 2.92Å; I250-L470 HydrophobicContact CB-CD2 4.14Å; I250-L470 HydrophobicContact CD1-CD1 4.36Å; I250-L470 HydrophobicContact CD1-CD2 3.18Å; I250-L470 HydrophobicContact CD1-CG 4.37Å; I250-L470 HydrophobicContact CG1-CD2 4.23Å; I250-L470 HydrophobicContact CG2-CD2 4.16Å
251	Q	77.4	Confident	79	Confident	40 Å²	40	32.3 Å²	32.3	19%	0.187	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-42.4	173.5	-74.9	176.9	-29.8	0	0	111.5	V247 R248 L254 L255 Y673	V247-Q251 HydrophobicContact CG1-CG 4.44Å; V247-Q251 WeakPolarHBondContact O-CG 3.41Å; V247-Q251 PolarHBondContact O-N 3.18Å; R248-Q251 PolarHBondContact O-N 3.45Å; Q251-L254 PolarHBondContact O-N 3.26Å; Q251-L255 VanDerWaalsContact O-CB 3.27Å; Q251-L255 WeakPolarHBondContact O-CB 3.42Å; Q251-L255 WeakPolarHBondContact O-CD1 3.47Å; Q251-L255 WeakPolarHBondContact O-CG 3.2Å; Q251-L255 PolarHBondContact O-N 2.96Å; Q251-Y673 PolarHBondContact OE1-OH 2.9Å
252	M	78.1	Confident	79.6	Confident	57 Å²	57	27.3 Å²	27.3	28%	0.281	13%	0.125	S	C	.	.	H	α-helix	trans	-64.7	-41.4	176.2	-72.4	-57.7	-64.7	0	0	113	R248 T249 I250 L254 L255 R256 W494 Y673	R248-M252 WeakPolarHBondContact O-CG 3.4Å; R248-M252 PolarHBondContact O-N 3Å; T249-M252 PolarHBondContact O-N 3.02Å; I250-M252 VanDerWaalsContact C-N 3.27Å; I250-M252 PolarHBondContact O-N 3.49Å; M252-L254 VanDerWaalsContact C-N 3.33Å; M252-L254 PolarHBondContact O-N 3.39Å; M252-L255 PolarHBondContact O-N 3.35Å; M252-L255 HydrophobicContact SD-CD1 4.11Å; M252-R256 WeakPolarHBondContact O-CB 3.44Å; M252-R256 PolarHBondContact O-N 2.86Å; M252-W494 HydrophobicContact CE-CH2 4.23Å; M252-W494 HydrophobicContact CE-CZ3 4.08Å; M252-Y673 HydrophobicContact CG-CD2 4.38Å; M252-Y673 HydrophobicContact SD-CD2 3.34Å; M252-Y673 WeakPolarHBondContact SD-CD2 3.28Å; M252-Y673 HydrophobicContact SD-CE2 3.94Å; M252-Y673 HydrophobicContact SD-CG 3.86Å
253	I	80.7	Confident	80.2	Confident	13 Å²	13	25.7 Å²	25.7	7%	0.067	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-42	175.5	-67.1	163.7	0	0	0	110.5	L203 L204 T249 I250 F257	L203-I253 HydrophobicContact CB-CD1 4.43Å; L203-I253 HydrophobicContact CD1-CD1 3.87Å; L203-I253 HydrophobicContact CD1-CG1 4.41Å; L204-I253 HydrophobicContact CG-CG2 4.36Å; T249-I253 HydrophobicContact CG2-CD1 4.17Å; T249-I253 WeakPolarHBondContact O-CG1 3.4Å; T249-I253 PolarHBondContact O-N 3.29Å; I250-I253 PolarHBondContact O-N 3.26Å; I253-F257 PolarHBondContact O-N 3.09Å
254	L	82.2	Confident	81	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-68.3	-42.1	177.9	-68.1	-178.4	0	0	0	112.4	L204 I250 Q251 M252 F257 Q258 L432 L435 T436 F478	L204-L254 HydrophobicContact CD1-CD2 3.51Å; L204-L254 HydrophobicContact CD2-CD2 4.09Å; L204-L254 HydrophobicContact CD2-CG 4.48Å; L204-L254 HydrophobicContact CG-CD2 4.45Å; I250-L254 HydrophobicContact CG2-CD1 3.98Å; I250-L254 HydrophobicContact CG2-CG 4.26Å; I250-L254 WeakPolarHBondContact O-CB 3.45Å; I250-L254 VanDerWaalsContact O-CG 3.25Å; I250-L254 WeakPolarHBondContact O-CG 3.33Å; I250-L254 PolarHBondContact O-N 2.92Å; Q251-L254 PolarHBondContact O-N 3.26Å; M252-L254 VanDerWaalsContact C-N 3.33Å; M252-L254 PolarHBondContact O-N 3.39Å; L254-F257 PolarHBondContact O-N 2.95Å; L254-Q258 WeakPolarHBondContact O-CB 3.48Å; L254-Q258 PolarHBondContact O-N 2.95Å; L254-L432 HydrophobicContact CD2-CD2 4.18Å; L254-L435 HydrophobicContact CD1-CB 3.99Å; L254-L435 HydrophobicContact CD1-CD1 3.58Å; L254-L435 HydrophobicContact CD1-CG 4.39Å; L254-T436 HydrophobicContact CB-CG2 3.63Å; L254-F478 HydrophobicContact CD2-CE1 3.83Å; L254-F478 HydrophobicContact CD2-CE2 3.77Å; L254-F478 HydrophobicContact CD2-CZ 3.13Å; L254-F478 HydrophobicContact CG-CZ 4.46Å
255	L	82.9	Confident	81.7	Confident	8 Å²	8	17 Å²	17	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-48.5	174	-80.9	164.4	0	0	0	110.7	Q251 M252 F257 Q258 R259 T436 E438	Q251-L255 VanDerWaalsContact O-CB 3.27Å; Q251-L255 WeakPolarHBondContact O-CB 3.42Å; Q251-L255 WeakPolarHBondContact O-CD1 3.47Å; Q251-L255 WeakPolarHBondContact O-CG 3.2Å; Q251-L255 PolarHBondContact O-N 2.96Å; M252-L255 PolarHBondContact O-N 3.35Å; M252-L255 HydrophobicContact SD-CD1 4.11Å; L255-F257 VanDerWaalsContact C-N 3.33Å; L255-F257 PolarHBondContact O-N 3.28Å; L255-Q258 PolarHBondContact O-N 2.85Å; L255-R259 WeakPolarHBondContact O-CB 3.46Å; L255-R259 PolarHBondContact O-N 2.87Å; L255-T436 HydrophobicContact CD2-CG2 4.13Å; L255-T436 HydrophobicContact CG-CG2 4.02Å; L255-E438 HydrophobicContact CD2-CG 3.52Å
256	R	87.1	Confident	82.4	Confident	18 Å²	18	16.7 Å²	16.7	7%	0.068	8%	0.079	C	C	.	.	H	α-helix	trans	-54	-51	173.8	178	-173.4	172.1	-139.4	7.1	110.4	S200 M252 Q258 V260 S261 L492 W494	S200-R256 PolarHBondContact OG-NH1 2.88Å; M252-R256 WeakPolarHBondContact O-CB 3.44Å; M252-R256 PolarHBondContact O-N 2.86Å; R256-Q258 PolarHBondContact O-N 3.02Å; R256-V260 HydrophobicContact CG-CB 4.44Å; R256-V260 HydrophobicContact CG-CG2 4.19Å; R256-V260 WeakPolarHBondContact O-CA 3.49Å; R256-V260 WeakPolarHBondContact O-CB 3.34Å; R256-V260 VanDerWaalsContact O-CG2 3.32Å; R256-V260 WeakPolarHBondContact O-CG2 3.27Å; R256-V260 PolarHBondContact O-N 3.35Å; R256-S261 PolarHBondContact O-N 3.26Å; R256-L492 PolarHBondContact NH2-O 2.76Å; R256-W494 HydrophobicContact CB-CE3 3.9Å; R256-W494 HydrophobicContact CB-CZ3 4.18Å; R256-W494 HydrophobicContact CG-CB 4.42Å; R256-W494 HydrophobicContact CG-CE3 3.98Å
257	F	88	Confident	82.9	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-62.6	-41	-178.2	-176.7	-103.9	0	0	0	112.7	L201 I253 L254 L255 S261 L262 F481 V485	L201-F257 HydrophobicContact CD1-CD2 4.43Å; L201-F257 HydrophobicContact CD1-CE2 3.6Å; L201-F257 HydrophobicContact CD1-CZ 3.71Å; L201-F257 HydrophobicContact CD2-CD1 4.15Å; L201-F257 HydrophobicContact CD2-CD2 4.01Å; L201-F257 HydrophobicContact CD2-CE1 3.97Å; L201-F257 HydrophobicContact CD2-CE2 3.84Å; L201-F257 HydrophobicContact CD2-CG 4.17Å; L201-F257 HydrophobicContact CD2-CZ 3.82Å; L201-F257 HydrophobicContact CG-CD2 4.02Å; L201-F257 HydrophobicContact CG-CE2 3.68Å; L201-F257 HydrophobicContact CG-CZ 4.04Å; I253-F257 PolarHBondContact O-N 3.09Å; L254-F257 PolarHBondContact O-N 2.95Å; L255-F257 VanDerWaalsContact C-N 3.33Å; L255-F257 PolarHBondContact O-N 3.28Å; F257-S261 PolarHBondContact O-N 3.4Å; F257-L262 HydrophobicContact CD1-CD1 4.06Å; F257-L262 HydrophobicContact CD1-CG 4.04Å; F257-L262 HydrophobicContact CE1-CD1 3.63Å; F257-L262 HydrophobicContact CE1-CD2 3.74Å; F257-L262 HydrophobicContact CE1-CG 3.52Å; F257-L262 HydrophobicContact CE2-CD2 4.48Å; F257-L262 HydrophobicContact CE2-CG 4.49Å; F257-L262 HydrophobicContact CZ-CD1 4.35Å; F257-L262 HydrophobicContact CZ-CD2 3.59Å; F257-L262 HydrophobicContact CZ-CG 3.77Å; F257-L262 PolarHBondContact O-N 3.49Å; F257-F481 HydrophobicContact CE1-CD2 4.13Å; F257-F481 HydrophobicContact CE1-CE1 4.2Å; F257-F481 AromaticContact CE1-CE2 3.64Å; F257-F481 HydrophobicContact CE1-CE2 3.64Å; F257-F481 AromaticContact CE1-CZ 3.68Å; F257-F481 HydrophobicContact CE1-CZ 3.68Å; F257-F481 HydrophobicContact CZ-CD1 4.26Å; F257-F481 HydrophobicContact CZ-CD2 4.11Å; F257-F481 HydrophobicContact CZ-CE1 4.21Å; F257-F481 HydrophobicContact CZ-CE2 4.06Å; F257-F481 HydrophobicContact CZ-CG 4.23Å; F257-F481 HydrophobicContact CZ-CZ 4.11Å; F257-V485 HydrophobicContact CE2-CG1 3.89Å; F257-V485 HydrophobicContact CZ-CG1 3.89Å
258	Q	85.8	Confident	83.2	Confident	11 Å²	11	19.7 Å²	19.7	5%	0.051	9%	0.093	C	C	.	.	I	π-helix	trans	-77	-31.2	-178.2	-175.9	169.8	-8.9	0	0	113.8	L254 L255 R256 P263 L432 T436 E438 P439	L254-Q258 WeakPolarHBondContact O-CB 3.48Å; L254-Q258 PolarHBondContact O-N 2.95Å; L255-Q258 PolarHBondContact O-N 2.85Å; R256-Q258 PolarHBondContact O-N 3.02Å; Q258-P263 WeakPolarHBondContact O-CD 3.29Å; Q258-P263 WeakPolarHBondContact O-CG 3.35Å; Q258-L432 PolarHBondContact OE1-O 3.04Å; Q258-T436 PolarHBondContact OE1-OG1 3.37Å; Q258-E438 HydrophobicContact CG-CB 4.48Å; Q258-P439 PolarHBondContact NE2-O 3.41Å
259	R	84.1	Confident	83.6	Confident	29 Å²	29	16.3 Å²	16.3	11%	0.109	8%	0.08	C	C	.	.	I	π-helix	trans	-92.4	-29.9	179.4	-76.1	-166.7	163.7	178.7	6	114.2	L255 P263 E438 N677	L255-R259 WeakPolarHBondContact O-CB 3.46Å; L255-R259 PolarHBondContact O-N 2.87Å; R259-P263 WeakPolarHBondContact O-CG 3.33Å; R259-E438 IonicContact CZ-OE1 3.84Å; R259-E438 IonicContact CZ-OE2 3.36Å; R259-E438 VanDerWaalsContact CZ-OE2 3.26Å; R259-E438 VanDerWaalsContact NE-CD 3.26Å; R259-E438 IonicContact NE-OE1 3.38Å; R259-E438 IonicContact NE-OE2 3.93Å; R259-E438 PolarHBondContact NE-OE2 2.73Å; R259-E438 IonicContact NH2-OE1 3.8Å; R259-E438 PolarHBondContact NH2-OE1 2.79Å; R259-E438 IonicContact NH2-OE2 3.04Å; R259-E438 PolarHBondContact NH2-OE2 3.18Å; R259-N677 PolarHBondContact NH1-OD1 3.3Å; R259-N677 PolarHBondContact NH2-OD1 3.44Å
260	V	88.2	Confident	83.8	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.006	9%	0.087	C	C	.	.	I	π-helix	trans	-106.5	-67.1	-173.1	-170.7	0	0	0	0	109.2	R256 A264 W494 I517 C568	R256-V260 HydrophobicContact CG-CB 4.44Å; R256-V260 HydrophobicContact CG-CG2 4.19Å; R256-V260 WeakPolarHBondContact O-CA 3.49Å; R256-V260 WeakPolarHBondContact O-CB 3.34Å; R256-V260 VanDerWaalsContact O-CG2 3.32Å; R256-V260 WeakPolarHBondContact O-CG2 3.27Å; R256-V260 PolarHBondContact O-N 3.35Å; V260-A264 WeakPolarHBondContact O-CB 3.42Å; V260-A264 PolarHBondContact O-N 3.26Å; V260-W494 HydrophobicContact CG1-CB 4.43Å; V260-W494 HydrophobicContact CG2-CB 3.95Å; V260-W494 HydrophobicContact CG2-CD2 3.95Å; V260-W494 HydrophobicContact CG2-CG 3.67Å; V260-I517 HydrophobicContact CB-CD1 4.39Å; V260-I517 HydrophobicContact CG1-CD1 4.43Å; V260-I517 HydrophobicContact CG2-CD1 3.73Å; V260-C568 HydrophobicContact CG1-CB 3.89Å; V260-C568 WeakPolarHBondContact CG1-SG 3.38Å
261	S	88.3	Confident	84.2	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-68.8	-47.7	-167	-47.6	0	0	0	0	113.4	R256 F257 L265 D489	R256-S261 PolarHBondContact O-N 3.26Å; F257-S261 PolarHBondContact O-N 3.4Å; S261-L265 WeakPolarHBondContact O-CB 3.28Å; S261-L265 VanDerWaalsContact O-CG 3.25Å; S261-L265 WeakPolarHBondContact O-CG 3.4Å; S261-L265 PolarHBondContact O-N 3.19Å; S261-L265 VanDerWaalsContact O-N 3.13Å; S261-D489 WeakPolarHBondContact CB-OD1 3.01Å; S261-D489 PolarHBondContact OG-OD1 2.77Å
262	L	88.6	Confident	84.5	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.4	-50.1	179.6	-70.7	178.2	0	0	0	113.1	F257 A264 L265 H266 L432 F441 F481	F257-L262 HydrophobicContact CD1-CD1 4.06Å; F257-L262 HydrophobicContact CD1-CG 4.04Å; F257-L262 HydrophobicContact CE1-CD1 3.63Å; F257-L262 HydrophobicContact CE1-CD2 3.74Å; F257-L262 HydrophobicContact CE1-CG 3.52Å; F257-L262 HydrophobicContact CE2-CD2 4.48Å; F257-L262 HydrophobicContact CE2-CG 4.49Å; F257-L262 HydrophobicContact CZ-CD1 4.35Å; F257-L262 HydrophobicContact CZ-CD2 3.59Å; F257-L262 HydrophobicContact CZ-CG 3.77Å; F257-L262 PolarHBondContact O-N 3.49Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 2.91Å; L262-L265 PolarHBondContact O-N 3.13Å; L262-H266 WeakPolarHBondContact O-CB 3.25Å; L262-H266 PolarHBondContact O-N 3.39Å; L262-L432 HydrophobicContact CD1-CD1 4.08Å; L262-F441 HydrophobicContact CB-CE1 4.49Å; L262-F441 HydrophobicContact CB-CE2 4.26Å; L262-F441 HydrophobicContact CB-CZ 4.19Å; L262-F481 HydrophobicContact CD1-CE1 4.42Å; L262-F481 HydrophobicContact CD1-CZ 4.19Å; L262-F481 HydrophobicContact CD2-CD1 4.24Å; L262-F481 HydrophobicContact CD2-CE1 3.58Å; L262-F481 HydrophobicContact CD2-CZ 4.11Å
263	P	86.8	Confident	84.6	Confident	24 Å²	24	15.7 Å²	15.7	16%	0.156	9%	0.088	C	C	.	.	H	α-helix	trans	-66.8	-34.4	178.4	-22.1	36.9	0	0	0	112.2	Q258 R259 H266 N267 F441	Q258-P263 WeakPolarHBondContact O-CD 3.29Å; Q258-P263 WeakPolarHBondContact O-CG 3.35Å; R259-P263 WeakPolarHBondContact O-CG 3.33Å; P263-H266 PolarHBondContact O-N 3.34Å; P263-N267 VanDerWaalsContact O-CB 3.29Å; P263-N267 WeakPolarHBondContact O-CB 3.46Å; P263-N267 PolarHBondContact O-N 3.39Å; P263-F441 HydrophobicContact CB-CE2 4.46Å; P263-F441 HydrophobicContact CG-CE2 4.11Å
264	A	86.5	Confident	84.6	Confident	3 Å²	3	17.1 Å²	17.1	3%	0.025	9%	0.094	C	C	.	.	I	π-helix	trans	-57.5	-51.8	174.1	0	0	0	0	0	111.5	V260 L262 Y268 F269 L492	V260-A264 WeakPolarHBondContact O-CB 3.42Å; V260-A264 PolarHBondContact O-N 3.26Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 2.91Å; A264-Y268 WeakPolarHBondContact O-CB 3.2Å; A264-Y268 PolarHBondContact O-N 3.48Å; A264-F269 PolarHBondContact O-N 3.19Å; A264-L492 HydrophobicContact CB-CD1 3.98Å; A264-L492 HydrophobicContact CB-CD2 4.26Å
265	L	88.1	Confident	84.6	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-67.2	-37.6	-179.3	-66.5	176.1	0	0	0	112.6	S261 L262 F269 G270 F271 L275 F484 V485 A488 L492	S261-L265 WeakPolarHBondContact O-CB 3.28Å; S261-L265 VanDerWaalsContact O-CG 3.25Å; S261-L265 WeakPolarHBondContact O-CG 3.4Å; S261-L265 PolarHBondContact O-N 3.19Å; S261-L265 VanDerWaalsContact O-N 3.13Å; L262-L265 PolarHBondContact O-N 3.13Å; L265-F269 HydrophobicContact CD2-CD2 3.94Å; L265-F269 HydrophobicContact CD2-CE2 4.29Å; L265-F269 CarbonylContact O-C 3.48Å; L265-F269 WeakPolarHBondContact O-CB 3.39Å; L265-G270 PolarHBondContact O-N 3.32Å; L265-F271 HydrophobicContact CB-CD2 4.11Å; L265-F271 HydrophobicContact CD2-CD2 4.15Å; L265-F271 HydrophobicContact CD2-CE2 4.28Å; L265-F271 WeakPolarHBondContact O-CB 3.23Å; L265-F271 WeakPolarHBondContact O-CD2 3.13Å; L265-F271 PolarHBondContact O-N 3.25Å; L265-F271 VanDerWaalsContact O-N 3.09Å; L265-L275 HydrophobicContact CB-CD2 3.77Å; L265-L275 HydrophobicContact CD1-CD2 4.3Å; L265-F484 HydrophobicContact CD2-CE1 4.47Å; L265-V485 HydrophobicContact CD1-CB 4.22Å; L265-V485 HydrophobicContact CD1-CG1 3.93Å; L265-V485 HydrophobicContact CD1-CG2 3.96Å; L265-A488 HydrophobicContact CD1-CB 4.34Å; L265-A488 HydrophobicContact CD2-CB 3.91Å; L265-L492 HydrophobicContact CD2-CD1 4.47Å; L265-L492 HydrophobicContact CG-CD1 4.31Å
266	H	86.9	Confident	84.7	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.009	10%	0.097	C	C	.	.	I	π-helix	trans	-77.6	-65.3	178	-178	-87.4	0	0	0	112.1	L262 P263 Y268 G270 F271 L275 K408 S409 I411 F441	L262-H266 WeakPolarHBondContact O-CB 3.25Å; L262-H266 PolarHBondContact O-N 3.39Å; P263-H266 PolarHBondContact O-N 3.34Å; H266-Y268 VanDerWaalsContact C-N 3.32Å; H266-Y268 PolarHBondContact O-N 2.96Å; H266-G270 WeakPolarHBondContact O-CA 3.42Å; H266-G270 PolarHBondContact O-N 3.4Å; H266-F271 WeakPolarHBondContact CA-O 3.11Å; H266-F271 PolarHBondContact CD2-O 2.81Å; H266-L275 HydrophobicContact CB-CD1 4.4Å; H266-K408 VanDerWaalsContact CE1-CE 3.43Å; H266-K408 WeakPolarHBondContact CE1-CE 3.32Å; H266-K408 PolarHBondContact CE1-NZ 3.39Å; H266-K408 VanDerWaalsContact NE2-CE 3.3Å; H266-K408 WeakPolarHBondContact NE2-CE 3.41Å; H266-K408 VanDerWaalsContact NE2-CG 3.27Å; H266-K408 WeakPolarHBondContact NE2-CG 3.12Å; H266-K408 PolarHBondContact NE2-NZ 3.25Å; H266-S409 PolarHBondContact NE2-O 3.46Å; H266-I411 WeakPolarHBondContact O-CD1 3Å; H266-F441 HydrophobicContact CB-CE1 4.46Å; H266-F441 HydrophobicContact CB-CZ 3.63Å; H266-F441 AromaticContact CG-CZ 3.91Å
267	N	82.5	Confident	84.2	Confident	70 Å²	70	21.5 Å²	21.5	37%	0.374	11%	0.111	S	C	.	.	I	π-helix	trans	-69.2	-27.3	-168.4	-63.7	-12.4	0	0	0	113.3	P263 H588	P263-N267 VanDerWaalsContact O-CB 3.29Å; P263-N267 WeakPolarHBondContact O-CB 3.46Å; P263-N267 PolarHBondContact O-N 3.39Å; N267-H588 PolarHBondContact O-CE1 3.03Å; N267-H588 PolarHBondContact O-NE2 3.2Å
268	Y	79.1	Confident	83.1	Confident	33 Å²	33	25.7 Å²	25.7	13%	0.129	14%	0.139	C	C	.	.	I	π-helix	trans	-109.1	-29.2	-173.6	-55.8	-85.2	0	0	0	113.8	A264 H266 V515 G541 I543 H588 L592	A264-Y268 WeakPolarHBondContact O-CB 3.2Å; A264-Y268 PolarHBondContact O-N 3.48Å; H266-Y268 VanDerWaalsContact C-N 3.32Å; H266-Y268 PolarHBondContact O-N 2.96Å; Y268-V515 HydrophobicContact CD1-CG2 3.76Å; Y268-V515 HydrophobicContact CD2-CG2 4.21Å; Y268-V515 HydrophobicContact CE1-CB 4.38Å; Y268-V515 HydrophobicContact CE1-CG1 3.96Å; Y268-V515 HydrophobicContact CE1-CG2 3.52Å; Y268-V515 HydrophobicContact CE2-CB 4.36Å; Y268-V515 HydrophobicContact CE2-CG1 3.62Å; Y268-V515 HydrophobicContact CE2-CG2 3.95Å; Y268-V515 HydrophobicContact CG-CG2 4.1Å; Y268-V515 WeakPolarHBondContact OH-CG1 3.42Å; Y268-G541 PolarHBondContact OH-O 2.88Å; Y268-I543 HydrophobicContact CD1-CD1 3.63Å; Y268-I543 HydrophobicContact CD1-CG1 3.91Å; Y268-I543 HydrophobicContact CE1-CD1 3.79Å; Y268-I543 HydrophobicContact CE1-CG1 3.61Å; Y268-H588 PolarHBondContact O-CD2 3.24Å; Y268-L592 HydrophobicContact CD1-CD1 4.4Å
269	F	83	Confident	81.6	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.013	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-5.5	172.1	-65.1	-72.9	0	0	0	113.3	A264 L265 F271 L570 L574 L575 V578 V585	A264-F269 PolarHBondContact O-N 3.19Å; L265-F269 HydrophobicContact CD2-CD2 3.94Å; L265-F269 HydrophobicContact CD2-CE2 4.29Å; L265-F269 CarbonylContact O-C 3.48Å; L265-F269 WeakPolarHBondContact O-CB 3.39Å; F269-F271 HydrophobicContact CB-CD2 3.47Å; F269-F271 VanDerWaalsContact CB-CD2 3.47Å; F269-F271 HydrophobicContact CB-CE2 3.42Å; F269-F271 VanDerWaalsContact CB-CE2 3.42Å; F269-F271 HydrophobicContact CB-CG 4.41Å; F269-F271 HydrophobicContact CB-CZ 4.34Å; F269-F271 HydrophobicContact CD2-CE2 4.47Å; F269-F271 HydrophobicContact CG-CD2 4.37Å; F269-F271 AromaticContact CG-CE2 3.99Å; F269-F271 HydrophobicContact CG-CE2 3.99Å; F269-F271 PolarHBondContact O-N 3.2Å; F269-L570 HydrophobicContact CD2-CD2 4.43Å; F269-L570 HydrophobicContact CE2-CD2 3.51Å; F269-L570 HydrophobicContact CZ-CD2 3.86Å; F269-L574 HydrophobicContact CE2-CD2 4.1Å; F269-L574 HydrophobicContact CZ-CD2 4.12Å; F269-L574 HydrophobicContact CZ-CG 4.16Å; F269-L575 HydrophobicContact CE1-CD1 3.82Å; F269-V578 HydrophobicContact CD1-CB 4.12Å; F269-V578 HydrophobicContact CD1-CG1 3.74Å; F269-V578 HydrophobicContact CD1-CG2 4.05Å; F269-V578 HydrophobicContact CE1-CB 4.03Å; F269-V578 HydrophobicContact CE1-CG1 4.16Å; F269-V578 HydrophobicContact CE1-CG2 3.87Å; F269-V578 HydrophobicContact CG-CG1 4.48Å; F269-V578 HydrophobicContact CZ-CG2 4.26Å; F269-V585 HydrophobicContact CB-CG1 3.88Å; F269-V585 HydrophobicContact CD1-CG1 3.96Å; F269-V585 HydrophobicContact CG-CG1 4.44Å; F269-V585 WeakPolarHBondContact O-CB 3.26Å; F269-V585 WeakPolarHBondContact O-CG1 3.44Å; F269-V585 WeakPolarHBondContact O-CG2 3.36Å
270	G	78.9	Confident	79.9	Confident	24 Å²	24	33.2 Å²	33.2	25%	0.247	20%	0.204	C	C	.	.			trans	71	15.7	177.5	0	0	0	0	0	114.7	L265 H266 T272 H588	L265-G270 PolarHBondContact O-N 3.32Å; H266-G270 WeakPolarHBondContact O-CA 3.42Å; H266-G270 PolarHBondContact O-N 3.4Å; G270-T272 PolarHBondContact O-N 3.47Å; G270-H588 PolarHBondContact N-CD2 3.27Å
271	F	85.4	Confident	77.6	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	24%	0.241	C	C	.	.			trans	-73	126.5	178.4	-67.3	-58.9	0	0	0	111.1	L265 H266 F269 E274 L275 F484 V578 Y582 V585	L265-F271 HydrophobicContact CB-CD2 4.11Å; L265-F271 HydrophobicContact CD2-CD2 4.15Å; L265-F271 HydrophobicContact CD2-CE2 4.28Å; L265-F271 WeakPolarHBondContact O-CB 3.23Å; L265-F271 WeakPolarHBondContact O-CD2 3.13Å; L265-F271 PolarHBondContact O-N 3.25Å; L265-F271 VanDerWaalsContact O-N 3.09Å; H266-F271 WeakPolarHBondContact CA-O 3.11Å; H266-F271 PolarHBondContact CD2-O 2.81Å; F269-F271 HydrophobicContact CB-CD2 3.47Å; F269-F271 VanDerWaalsContact CB-CD2 3.47Å; F269-F271 HydrophobicContact CB-CE2 3.42Å; F269-F271 VanDerWaalsContact CB-CE2 3.42Å; F269-F271 HydrophobicContact CB-CG 4.41Å; F269-F271 HydrophobicContact CB-CZ 4.34Å; F269-F271 HydrophobicContact CD2-CE2 4.47Å; F269-F271 HydrophobicContact CG-CD2 4.37Å; F269-F271 AromaticContact CG-CE2 3.99Å; F269-F271 HydrophobicContact CG-CE2 3.99Å; F269-F271 PolarHBondContact O-N 3.2Å; F271-E274 HydrophobicContact CB-CB 4.48Å; F271-E274 HydrophobicContact CD1-CB 3.77Å; F271-E274 HydrophobicContact CD1-CG 4.07Å; F271-E274 HydrophobicContact CE1-CB 4.46Å; F271-E274 HydrophobicContact CG-CB 4.47Å; F271-L275 HydrophobicContact CB-CD2 3.76Å; F271-L275 HydrophobicContact CB-CG 4.05Å; F271-L275 WeakPolarHBondContact O-CD1 2.96Å; F271-F484 HydrophobicContact CD2-CE1 4.12Å; F271-F484 HydrophobicContact CE1-CE1 4.31Å; F271-F484 AromaticContact CE2-CE1 3.47Å; F271-F484 HydrophobicContact CE2-CE1 3.47Å; F271-F484 VanDerWaalsContact CE2-CE1 3.47Å; F271-F484 AromaticContact CE2-CZ 3.93Å; F271-F484 HydrophobicContact CE2-CZ 3.93Å; F271-F484 HydrophobicContact CZ-CD1 4.49Å; F271-F484 AromaticContact CZ-CE1 3.57Å; F271-F484 HydrophobicContact CZ-CE1 3.57Å; F271-F484 AromaticContact CZ-CZ 3.92Å; F271-F484 HydrophobicContact CZ-CZ 3.92Å; F271-V578 HydrophobicContact CE2-CG1 4.18Å; F271-V578 HydrophobicContact CE2-CG2 4.27Å; F271-V578 HydrophobicContact CZ-CG1 3.76Å; F271-V578 HydrophobicContact CZ-CG2 4.29Å; F271-Y582 HydrophobicContact CE1-CD1 4.2Å; F271-Y582 AromaticContact CE1-CD2 3.52Å; F271-Y582 HydrophobicContact CE1-CD2 3.52Å; F271-Y582 HydrophobicContact CE1-CE2 4.12Å; F271-Y582 AromaticContact CE1-CG 3.55Å; F271-Y582 HydrophobicContact CE1-CG 3.55Å; F271-Y582 AromaticContact CZ-CD2 3.54Å; F271-Y582 HydrophobicContact CZ-CD2 3.54Å; F271-Y582 HydrophobicContact CZ-CE2 4.21Å; F271-Y582 AromaticContact CZ-CG 3.97Å; F271-Y582 HydrophobicContact CZ-CG 3.97Å; F271-V585 HydrophobicContact CD1-CG2 4.09Å; F271-V585 HydrophobicContact CE1-CG2 3.52Å; F271-V585 HydrophobicContact CE2-CG2 4.45Å; F271-V585 HydrophobicContact CZ-CG2 3.74Å
272	T	82.8	Confident	75	Confident	18 Å²	18	47.5 Å²	47.5	11%	0.11	27%	0.271	C	S	.	.	S	Bend	trans	-121.9	-76	178.2	53	0	0	0	0	110	G270 E274 L275	G270-T272 PolarHBondContact O-N 3.47Å; T272-E274 VanDerWaalsContact C-N 3.3Å; T272-E274 PolarHBondContact N-OE2 2.77Å; T272-E274 PolarHBondContact O-N 2.83Å; T272-L275 WeakPolarHBondContact O-CB 2.84Å; T272-L275 PolarHBondContact O-N 2.94Å
273	T	80.3	Confident	72	Confident	69 Å²	69	54.3 Å²	54.3	42%	0.423	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-71.5	-27.3	179.5	63.7	0	0	0	0	112.2	L275 M276 A418	T273-L275 PolarHBondContact O-N 3.38Å; T273-M276 PolarHBondContact O-N 3.41Å; T273-A418 HydrophobicContact CG2-CB 4.35Å
274	E	80.6	Confident	69.1	Low	43 Å²	43	58.5 Å²	58.5	20%	0.201	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-71.3	-16.8	-179	-57	92.1	153.2	0	0	113.3	F271 T272 M276 S482 Y582 Q584	F271-E274 HydrophobicContact CB-CB 4.48Å; F271-E274 HydrophobicContact CD1-CB 3.77Å; F271-E274 HydrophobicContact CD1-CG 4.07Å; F271-E274 HydrophobicContact CE1-CB 4.46Å; F271-E274 HydrophobicContact CG-CB 4.47Å; T272-E274 VanDerWaalsContact C-N 3.3Å; T272-E274 PolarHBondContact N-OE2 2.77Å; T272-E274 PolarHBondContact O-N 2.83Å; E274-M276 PolarHBondContact O-N 3.48Å; E274-S482 VanDerWaalsContact O-CB 3.29Å; E274-S482 WeakPolarHBondContact O-CB 3.24Å; E274-S482 PolarHBondContact O-OG 3.28Å; E274-Y582 HydrophobicContact CG-CE1 4.38Å; E274-Q584 PolarHBondContact OE1-NE2 3.42Å
275	L	83.1	Confident	66.1	Low	1 Å²	1	67.6 Å²	67.6	1%	0.005	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-64.3	-31.6	174.9	-62.8	177.8	0	0	0	111.2	L265 H266 F271 T272 T273 F441 F481 S482 V485	L265-L275 HydrophobicContact CB-CD2 3.77Å; L265-L275 HydrophobicContact CD1-CD2 4.3Å; H266-L275 HydrophobicContact CB-CD1 4.4Å; F271-L275 HydrophobicContact CB-CD2 3.76Å; F271-L275 HydrophobicContact CB-CG 4.05Å; F271-L275 WeakPolarHBondContact O-CD1 2.96Å; T272-L275 WeakPolarHBondContact O-CB 2.84Å; T272-L275 PolarHBondContact O-N 2.94Å; T273-L275 PolarHBondContact O-N 3.38Å; L275-F441 HydrophobicContact CD1-CE1 4.31Å; L275-F481 WeakPolarHBondContact O-CA 3.33Å; L275-S482 PolarHBondContact O-N 2.91Å; L275-V485 HydrophobicContact CB-CG2 4.39Å; L275-V485 HydrophobicContact CD2-CG2 3.85Å
276	M	84.2	Confident	63	Low	19 Å²	19	72.3 Å²	72.3	9%	0.094	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-108.2	158.4	-177.6	-63	-61.9	-91.7	0	0	111.6	T273 E274 V420 E421 R480 F481	T273-M276 PolarHBondContact O-N 3.41Å; E274-M276 PolarHBondContact O-N 3.48Å; M276-V420 HydrophobicContact CB-CG1 3.92Å; M276-V420 HydrophobicContact CG-CG1 3.33Å; M276-E421 WeakPolarHBondContact CE-OE2 3.48Å; M276-R480 CarbonylContact C-O 3.3Å; M276-R480 WeakPolarHBondContact CA-O 3.35Å; M276-R480 HydrophobicContact CE-CB 3.46Å; M276-R480 VanDerWaalsContact CE-CB 3.46Å; M276-R480 HydrophobicContact SD-CB 4.28Å; M276-F481 HydrophobicContact SD-CD1 3.67Å; M276-F481 HydrophobicContact SD-CE1 3.78Å; M276-F481 HydrophobicContact SD-CG 4.27Å; M276-F481 HydrophobicContact SD-CZ 4.48Å
277	R	77	Confident	59.9	Low	101 Å²	101	77.6 Å²	77.6	38%	0.381	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-74.3	143	172.6	-70.2	177.9	-172.5	-174.4	-0.8	109.8	E479 R480 F481	R277-E479 WeakPolarHBondContact CD-O 3.41Å; R277-E479 PolarHBondContact NE-O 3.41Å; R277-E479 VanDerWaalsContact NE-O 3.08Å; R277-E479 PolarHBondContact NH1-O 3.02Å; R277-R480 WeakPolarHBondContact CG-O 3.23Å; R277-R480 PolarHBondContact N-O 2.77Å; R277-F481 PolarHBondContact NE-O 3.29Å
278	P	64.4	Low	57.1	Low	88 Å²	88	80.9 Å²	80.9	57%	0.571	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-62.9	140	174	25.3	-33.1	0	0	0	110.5	G280	P278-G280 PolarHBondContact O-N 3.05Å
279	P	54.9	Low	54.2	Low	132 Å²	132	84.6 Å²	84.6	86%	0.857	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	119.3	174.8	25	-32	0	0	0	109.2
280	G	49	Very low	51.4	Low	66 Å²	66	93 Å²	93	68%	0.68	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.3	-9	178	0	0	0	0	0	116.8	P278	P278-G280 PolarHBondContact O-N 3.05Å
281	K	38.7	Very low	48.5	Very low	180 Å²	180	97 Å²	97	78%	0.783	56%	0.557	S	S	*	*			trans	-102.7	4.7	177.6	-77	-172.5	178.5	178.3	0	115.7	N283	K281-N283 PolarHBondContact O-N 3.27Å; K281-N283 VanDerWaalsContact O-N 3.11Å
282	L	34.7	Very low	45.6	Very low	120 Å²	120	102.1 Å²	102.1	63%	0.628	59%	0.59	S	S	*	*			trans	-85	61.4	168.7	-76.5	162.4	0	0	0	109.8	C284	L282-C284 PolarHBondContact O-N 3.4Å
283	N	25.8	Very low	42.7	Very low	143 Å²	143	106.9 Å²	106.9	77%	0.765	63%	0.625	S	S	*	*			trans	-77.6	119.2	164.4	-87.2	-7	0	0	0	108.5	K281 Q285	K281-N283 PolarHBondContact O-N 3.27Å; K281-N283 VanDerWaalsContact O-N 3.11Å; N283-Q285 PolarHBondContact O-N 2.77Å
284	C	25.4	Very low	40	Very low	113 Å²	113	109.8 Å²	109.8	76%	0.764	64%	0.636	S	S	*	*			trans	-19.3	106.7	168.8	-53.8	0	0	0	0	115	L282	L282-C284 PolarHBondContact O-N 3.4Å
285	Q	24.2	Very low	37.1	Very low	194 Å²	194	113.4 Å²	113.4	91%	0.907	67%	0.666	S	S	*	*			trans	-124.6	20.9	152.2	-74.7	-161.2	-15.8	0	0	111.9	N283 S287	N283-Q285 PolarHBondContact O-N 2.77Å; Q285-S287 PolarHBondContact O-N 3.41Å
286	S	22.4	Very low	34.3	Very low	98 Å²	98	120.6 Å²	120.6	69%	0.685	70%	0.704	S	S	*	*			trans	-85	94.3	156.7	54	0	0	0	0	107.7	L288	S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.3Å
287	S	21.2	Very low	31.4	Very low	113 Å²	113	128.1 Å²	128.1	79%	0.79	74%	0.744	S	S	*	*			trans	-51.9	90.6	162.7	51.3	0	0	0	0	111	Q285	Q285-S287 PolarHBondContact O-N 3.41Å
288	L	23.3	Very low	28.9	Very low	139 Å²	139	126 Å²	126	73%	0.728	75%	0.754	S	S	*	*			trans	-133.3	88.8	156.8	-81.1	169.1	0	0	0	106.6	S286 F290	S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.3Å; L288-F290 VanDerWaalsContact C-N 3.28Å; L288-F290 PolarHBondContact O-N 3.11Å
289	S	19.5	Very low	26.9	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	77%	0.774	S	S	*	*			trans	-56.7	91.2	163.3	50.8	0	0	0	0	109.4
290	F	22.7	Very low	25.4	Very low	180 Å²	180	130.8 Å²	130.8	79%	0.789	77%	0.77	S	S	*	*			trans	-121.9	79.5	153	-79	-77.4	0	0	0	106.4	L288 P292	L288-F290 VanDerWaalsContact C-N 3.28Å; L288-F290 PolarHBondContact O-N 3.11Å; F290-P292 WeakPolarHBondContact O-CD 2.97Å
291	S	19.8	Very low	24.2	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	78%	0.779	S	S	*	*			trans	-61.3	111.4	159.2	39.6	0	0	0	0	107.5	S293	S291-S293 PolarHBondContact O-N 3.09Å
292	P	24.2	Very low	23.3	Very low	108 Å²	108	134.4 Å²	134.4	70%	0.701	78%	0.783	S	S	*	*			trans	-76.2	108.9	166.1	21.7	-7.5	0	0	0	105.5	F290 I294	F290-P292 WeakPolarHBondContact O-CD 2.97Å; P292-I294 PolarHBondContact O-N 3.46Å
293	S	20.5	Very low	22.8	Very low	119 Å²	119	133.6 Å²	133.6	83%	0.832	79%	0.787	S	S	*	*			trans	-63.7	82.7	168.3	53	0	0	0	0	109	S291	S291-S293 PolarHBondContact O-N 3.09Å
294	I	23.7	Very low	22.8	Very low	130 Å²	130	131.6 Å²	131.6	67%	0.667	79%	0.785	S	S	*	*			trans	-114.2	94.3	163.9	-58.7	179	0	0	0	106	P292 L296	P292-I294 PolarHBondContact O-N 3.46Å; I294-L296 HydrophobicContact CG2-CD1 3.87Å; I294-L296 HydrophobicContact CG2-CG 4.35Å; I294-L296 PolarHBondContact O-N 2.86Å
295	S	20.7	Very low	22.7	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	79%	0.793	S	S	*	*			trans	-62	93.2	169.9	59.8	0	0	0	0	109.4
296	L	23.7	Very low	22.8	Very low	153 Å²	153	132.5 Å²	132.5	80%	0.801	79%	0.786	S	S	*	*			trans	-101.5	85.9	164	-92.8	148	0	0	0	108.1	I294 G298	I294-L296 HydrophobicContact CG2-CD1 3.87Å; I294-L296 HydrophobicContact CG2-CG 4.35Å; I294-L296 PolarHBondContact O-N 2.86Å; L296-G298 PolarHBondContact O-N 2.85Å
297	N	22.7	Very low	22.7	Very low	176 Å²	176	133.3 Å²	133.3	94%	0.941	79%	0.792	S	S	*	*			trans	-62.9	86	164.3	-136.6	8.6	0	0	0	107.4
298	G	24.9	Very low	22.9	Very low	58 Å²	58	136 Å²	136	60%	0.598	80%	0.797	S	S	*	*			trans	-144.5	89.8	-176.2	0	0	0	0	0	110.2	L296 A300	L296-G298 PolarHBondContact O-N 2.85Å; G298-A300 PolarHBondContact O-N 3.46Å
299	K	21.9	Very low	22.8	Very low	224 Å²	224	133.6 Å²	133.6	97%	0.974	79%	0.791	S	S	*	*			trans	-54.5	105.1	169.5	-68.7	174.4	177.3	175	0	109.3
300	A	23.7	Very low	23.1	Very low	95 Å²	95	134.1 Å²	134.1	79%	0.785	79%	0.792	S	S	*	*			trans	-131.3	120.9	163.9	0	0	0	0	0	108.9	G298	G298-A300 PolarHBondContact O-N 3.46Å
301	K	23.8	Very low	23.2	Very low	199 Å²	199	129.8 Å²	129.8	87%	0.865	78%	0.784	S	S	*	*			trans	-63.6	143.3	-170.8	-67.4	169.7	176.2	176.6	0	111.3	S303	K301-S303 PolarHBondContact O-N 3.09Å
302	S	21	Very low	23.6	Very low	123 Å²	123	132 Å²	132	86%	0.86	79%	0.787	S	S	*	*			trans	-43.6	114.3	159	52.1	0	0	0	0	112
303	S	24.2	Very low	23.7	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	80%	0.796	S	S	*	*			trans	-123.5	96.8	161.1	57.7	0	0	0	0	108.3	K301 L305	K301-S303 PolarHBondContact O-N 3.09Å; S303-L305 PolarHBondContact O-N 3.27Å
304	S	24.2	Very low	23.9	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	79%	0.791	S	S	*	*			trans	13.4	105.9	145.3	51.7	0	0	0	0	116.3	L306	S304-L306 PolarHBondContact O-N 3.25Å
305	L	24	Very low	23.9	Very low	179 Å²	179	135.6 Å²	135.6	94%	0.937	80%	0.799	S	S	*	*			trans	-51.1	107.6	157.7	-99	154	0	0	0	109	S303 S307	S303-L305 PolarHBondContact O-N 3.27Å; L305-S307 PolarHBondContact O-N 3.27Å
306	L	25.7	Very low	24	Very low	147 Å²	147	138 Å²	138	77%	0.77	80%	0.797	S	S	*	*			trans	-66.3	118.3	173.7	-77.7	158	0	0	0	109.2	S304 L308	S304-L306 PolarHBondContact O-N 3.25Å; L306-L308 PolarHBondContact O-N 2.86Å; L306-L308 VanDerWaalsContact O-N 3.11Å
307	S	21.9	Very low	24.1	Very low	115 Å²	115	138.3 Å²	138.3	80%	0.804	80%	0.799	S	S	*	*			trans	-59.7	101	165.4	52.1	0	0	0	0	109.8	L305 S309	L305-S307 PolarHBondContact O-N 3.27Å; S307-S309 PolarHBondContact O-N 2.9Å
308	L	24.1	Very low	24.1	Very low	169 Å²	169	135.3 Å²	135.3	89%	0.885	79%	0.792	S	S	*	*			trans	-81.7	105.3	168.8	-80.5	150.2	0	0	0	108.1	L306	L306-L308 PolarHBondContact O-N 2.86Å; L306-L308 VanDerWaalsContact O-N 3.11Å
309	S	22.2	Very low	24	Very low	88 Å²	88	138.5 Å²	138.5	62%	0.615	80%	0.8	S	S	*	*			trans	-67	141.1	171.1	46.1	0	0	0	0	110.6	S307 S311	S307-S309 PolarHBondContact O-N 2.9Å; S309-S311 PolarHBondContact O-N 2.79Å; S309-S311 VanDerWaalsContact O-N 3.08Å
310	P	25.9	Very low	24.1	Very low	122 Å²	122	134.2 Å²	134.2	79%	0.792	79%	0.793	S	S	*	*	S	Bend	trans	-82.4	89	-177.2	32.6	-31	0	0	0	109.7
311	S	24.5	Very low	24	Very low	89 Å²	89	137.9 Å²	137.9	62%	0.622	79%	0.794	S	S	*	*			trans	-145.8	50.8	175.5	64.4	0	0	0	0	112	S309	S309-S311 PolarHBondContact O-N 2.79Å; S309-S311 VanDerWaalsContact O-N 3.08Å
312	D	27.6	Very low	23.9	Very low	154 Å²	154	136.4 Å²	136.4	82%	0.824	79%	0.79	S	S	*	*			trans	-132.8	30.3	170.1	-75.4	-34.5	0	0	0	111.7
313	F	26.1	Very low	24	Very low	203 Å²	203	138 Å²	138	89%	0.89	79%	0.787	S	S	*	*			trans	-98.9	77.6	170.2	-75.3	-77.4	0	0	0	109.7
314	S	24.5	Very low	23.8	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	79%	0.785	S	S	*	*			trans	-87.8	115.4	161.1	49.7	0	0	0	0	108.7	E316	S314-E316 PolarHBondContact O-N 2.79Å
315	P	25.3	Very low	23.8	Very low	128 Å²	128	139.6 Å²	139.6	83%	0.831	79%	0.792	S	S	*	*			trans	-92.6	80.5	-178.2	35.4	-27.9	0	0	0	109.3
316	E	22.4	Very low	23.7	Very low	169 Å²	169	135.8 Å²	135.8	79%	0.79	78%	0.781	S	S	*	*			trans	-129.7	134.4	171.9	-68.1	-172.9	169.8	0	0	109.5	S314	S314-E316 PolarHBondContact O-N 2.79Å
317	D	24.5	Very low	23.6	Very low	158 Å²	158	137 Å²	137	85%	0.845	79%	0.787	S	S	*	*			trans	70.2	76	169.6	-59	-19.4	0	0	0	119.2
318	S	24.5	Very low	23.6	Very low	114 Å²	114	137 Å²	137	80%	0.797	78%	0.784	S	S	*	*			trans	-132.5	87.3	141	68.1	0	0	0	0	109.5	V320	S318-V320 PolarHBondContact O-N 3.36Å
319	T	23	Very low	23.6	Very low	124 Å²	124	136.3 Å²	136.3	76%	0.761	79%	0.787	S	S	*	*			trans	-46.7	131	163.5	41.8	0	0	0	0	110.2	E321	T319-E321 VanDerWaalsContact C-N 3.31Å; T319-E321 PolarHBondContact O-N 3.44Å
320	V	22.6	Very low	23.5	Very low	135 Å²	135	135 Å²	135	82%	0.818	79%	0.788	S	S	*	*			trans	-60.3	85.1	179.1	-176.9	0	0	0	0	109.7	S318 Q322	S318-V320 PolarHBondContact O-N 3.36Å; V320-Q322 PolarHBondContact O-N 2.76Å; V320-Q322 VanDerWaalsContact O-N 3.14Å
321	E	22.7	Very low	23.3	Very low	172 Å²	172	135.4 Å²	135.4	80%	0.804	79%	0.793	S	S	*	*			trans	-73.6	102.7	164.3	-81.2	-169.1	159.6	0	0	108	T319 I323	T319-E321 VanDerWaalsContact C-N 3.31Å; T319-E321 PolarHBondContact O-N 3.44Å; E321-I323 PolarHBondContact O-N 3.32Å
322	Q	21.1	Very low	23.2	Very low	168 Å²	168	135 Å²	135	79%	0.785	80%	0.795	S	S	*	*			trans	-55.7	105.8	169.5	-75.7	175.5	-29.7	0	0	109.3	V320 S324	V320-Q322 PolarHBondContact O-N 2.76Å; V320-Q322 VanDerWaalsContact O-N 3.14Å; Q322-S324 VanDerWaalsContact C-N 3.34Å; Q322-S324 PolarHBondContact O-N 2.8Å; Q322-S324 PolarHBondContact O-OG 2.99Å
323	I	23.3	Very low	22.9	Very low	157 Å²	157	138 Å²	138	81%	0.805	80%	0.801	S	S	*	*			trans	-64.6	94.9	176.2	-59	172.4	0	0	0	108	E321 T325	E321-I323 PolarHBondContact O-N 3.32Å; I323-T325 PolarHBondContact O-N 2.94Å
324	S	20.1	Very low	22.8	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	80%	0.8	S	S	*	*			trans	-77.3	105.8	172.7	-58.7	0	0	0	0	108	Q322 S326	Q322-S324 VanDerWaalsContact C-N 3.34Å; Q322-S324 PolarHBondContact O-N 2.8Å; Q322-S324 PolarHBondContact O-OG 2.99Å; S324-S326 VanDerWaalsContact C-N 3.3Å; S324-S326 PolarHBondContact O-N 2.81Å
325	T	23.1	Very low	22.8	Very low	138 Å²	138	141.3 Å²	141.3	85%	0.847	81%	0.805	S	S	*	*			trans	-70.8	81.5	175.8	49.4	0	0	0	0	110.6	I323	I323-T325 PolarHBondContact O-N 2.94Å
326	S	21.7	Very low	22.7	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	81%	0.807	S	S	*	*			trans	-149.9	76.7	164.9	63	0	0	0	0	109.8	S324	S324-S326 VanDerWaalsContact C-N 3.3Å; S324-S326 PolarHBondContact O-N 2.81Å
327	L	23.8	Very low	22.9	Very low	172 Å²	172	141 Å²	141	90%	0.901	80%	0.797	S	S	*	*			trans	-87.7	119.2	164	-99.1	138.6	0	0	0	108.2
328	P	23.5	Very low	23.4	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	79%	0.794	S	S	*	*			trans	-71.8	133.9	-176.7	26.6	-30.3	0	0	0	110.5	G330	P328-G330 PolarHBondContact O-N 2.95Å
329	V	22.7	Very low	23.8	Very low	156 Å²	156	143.6 Å²	143.6	95%	0.945	80%	0.796	S	S	*	*			trans	-68.4	78.9	166.9	-178	0	0	0	0	107.4
330	G	20.7	Very low	24.4	Very low	61 Å²	61	146 Å²	146	63%	0.629	79%	0.791	S	S	*	*			trans	-117.4	95.7	-177.3	0	0	0	0	0	110.5	P328 A332	P328-G330 PolarHBondContact O-N 2.95Å; G330-A332 PolarHBondContact O-N 3.43Å
331	S	22.2	Very low	25.1	Very low	129 Å²	129	146 Å²	146	90%	0.902	78%	0.782	S	S	*	*			trans	-61.4	95.1	165.2	51	0	0	0	0	110.3
332	A	21.5	Very low	25.7	Very low	82 Å²	82	141.2 Å²	141.2	68%	0.678	77%	0.772	S	S	*	*			trans	-152.3	87.2	170.1	0	0	0	0	0	110.5	G330	G330-A332 PolarHBondContact O-N 3.43Å
333	F	22.3	Very low	26.4	Very low	215 Å²	215	141.4 Å²	141.4	94%	0.943	77%	0.77	S	S	*	*			trans	-163	89.1	146.7	-102.7	-73.7	0	0	0	107.9
334	F	23.7	Very low	27.5	Very low	200 Å²	200	136.4 Å²	136.4	88%	0.877	75%	0.753	S	S	*	*			trans	-114.9	146.2	163.9	-91.8	-85.3	0	0	0	108.1
335	H	23.3	Very low	29	Very low	176 Å²	176	133.3 Å²	133.3	82%	0.815	74%	0.736	S	S	*	*			trans	76.3	97.1	176.6	-70.5	-58	0	0	0	117.7
336	L	23.2	Very low	30.2	Very low	168 Å²	168	133.1 Å²	133.1	88%	0.88	73%	0.728	S	S	*	*				163.2	101.2	128.7	-84.6	163	0	0	0	109.3
337	Q	26.9	Very low	31.7	Very low	124 Å²	124	135.8 Å²	135.8	58%	0.579	73%	0.727	S	S	*	*			trans	159.7	65.7	146.7	-88.1	168	11.6	0	0	113.5	E339	Q337-E339 VanDerWaalsContact C-N 3.27Å; Q337-E339 PolarHBondContact O-N 2.83Å
338	D	35.9	Very low	33.6	Very low	144 Å²	144	130.5 Å²	130.5	77%	0.77	71%	0.705	S	S	*	*	H	α-helix	trans	-65.8	-21.4	174	-83.5	-39.8	0	0	0	114.1
339	E	32.7	Very low	35.8	Very low	181 Å²	181	127.5 Å²	127.5	85%	0.846	69%	0.69	S	S	*	*	H	α-helix	trans	-82.2	-20.2	-178	-72.5	-145.8	154	0	0	114.9	Q337	Q337-E339 VanDerWaalsContact C-N 3.27Å; Q337-E339 PolarHBondContact O-N 2.83Å
340	R	34.7	Very low	38.3	Very low	174 Å²	174	127.7 Å²	127.7	66%	0.657	68%	0.678	S	S	*	*	H	α-helix	trans	-78.7	-23.5	175.7	-78.4	-175.7	176	176.1	-6	112.1	A344	R340-A344 WeakPolarHBondContact O-CB 3.27Å; R340-A344 PolarHBondContact O-N 2.93Å
341	E	37.5	Very low	41.1	Very low	136 Å²	136	126.5 Å²	126.5	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-70.4	-32.1	-178	-69.2	-164.2	167.3	0	0	113.6	A344 G345	E341-A344 CarbonylContact O-C 3.6Å; E341-A344 PolarHBondContact O-N 3.31Å; E341-G345 PolarHBondContact O-N 2.67Å
342	A	35.4	Very low	43.7	Very low	71 Å²	71	125 Å²	125	59%	0.587	63%	0.632	S	S	*	*	H	α-helix	trans	-66.6	-43.8	178.1	0	0	0	0	0	112.4	G345 I346	A342-G345 PolarHBondContact O-N 3.19Å; A342-I346 PolarHBondContact O-N 2.79Å
343	K	36.8	Very low	46.4	Very low	173 Å²	173	128.3 Å²	128.3	75%	0.752	63%	0.631	S	S	*	*	H	α-helix	trans	-72	-35.2	172.8	-76.3	-176.1	178.9	175.1	0	111.9	G345 F347	K343-G345 VanDerWaalsContact C-N 3.31Å; K343-G345 PolarHBondContact O-N 2.65Å; K343-F347 WeakPolarHBondContact O-CB 3.44Å; K343-F347 PolarHBondContact O-N 2.92Å; K343-F347 VanDerWaalsContact O-N 3.09Å
344	A	46.2	Very low	49.1	Very low	52 Å²	52	121.1 Å²	121.1	43%	0.43	61%	0.605	S	S	.	*	H	α-helix	trans	-66.1	-33	173.9	0	0	0	0	0	112	R340 E341 F347 S348	R340-A344 WeakPolarHBondContact O-CB 3.27Å; R340-A344 PolarHBondContact O-N 2.93Å; E341-A344 CarbonylContact O-C 3.6Å; E341-A344 PolarHBondContact O-N 3.31Å; A344-F347 PolarHBondContact O-N 2.71Å; A344-S348 WeakPolarHBondContact O-CA 3.48Å; A344-S348 WeakPolarHBondContact O-CB 3.37Å; A344-S348 PolarHBondContact O-N 2.62Å; A344-S348 PolarHBondContact O-OG 2.86Å
345	G	51	Low	51.8	Low	33 Å²	33	111.6 Å²	111.6	34%	0.34	56%	0.563	S	S	.	*	H	α-helix	trans	-61.2	-52.4	174.5	0	0	0	0	0	111.6	E341 A342 K343 F347 S348 A349	E341-G345 PolarHBondContact O-N 2.67Å; A342-G345 PolarHBondContact O-N 3.19Å; K343-G345 VanDerWaalsContact C-N 3.31Å; K343-G345 PolarHBondContact O-N 2.65Å; G345-F347 VanDerWaalsContact C-N 3.33Å; G345-F347 PolarHBondContact O-N 3.04Å; G345-S348 WeakPolarHBondContact CA-OG 3.48Å; G345-S348 PolarHBondContact O-N 3.36Å; G345-S348 PolarHBondContact O-OG 3.26Å; G345-A349 PolarHBondContact O-N 2.86Å
346	I	49.2	Very low	54.4	Low	134 Å²	134	103.4 Å²	103.4	69%	0.687	53%	0.525	S	S	*	.	H	α-helix	trans	-60	-42.8	176.7	-62	171.9	0	0	0	111.2	A342 K350	A342-I346 PolarHBondContact O-N 2.79Å; I346-K350 PolarHBondContact O-N 2.99Å
347	F	51.7	Low	57.1	Low	156 Å²	156	96.5 Å²	96.5	68%	0.684	49%	0.492	S	S	*	.	H	α-helix	trans	-66.9	-39.7	177	-159.2	-95.7	0	0	0	112.1	K343 A344 G345 L351	K343-F347 WeakPolarHBondContact O-CB 3.44Å; K343-F347 PolarHBondContact O-N 2.92Å; K343-F347 VanDerWaalsContact O-N 3.09Å; A344-F347 PolarHBondContact O-N 2.71Å; G345-F347 VanDerWaalsContact C-N 3.33Å; G345-F347 PolarHBondContact O-N 3.04Å; F347-L351 VanDerWaalsContact O-CB 3.29Å; F347-L351 WeakPolarHBondContact O-CB 3.39Å; F347-L351 PolarHBondContact O-N 3.2Å
348	S	65.2	Low	59.6	Low	62 Å²	62	96.3 Å²	96.3	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-67.2	-36.9	179	75.5	0	0	0	0	112.4	A344 G345 R352	A344-S348 WeakPolarHBondContact O-CA 3.48Å; A344-S348 WeakPolarHBondContact O-CB 3.37Å; A344-S348 PolarHBondContact O-N 2.62Å; A344-S348 PolarHBondContact O-OG 2.86Å; G345-S348 WeakPolarHBondContact CA-OG 3.48Å; G345-S348 PolarHBondContact O-N 3.36Å; G345-S348 PolarHBondContact O-OG 3.26Å; S348-R352 WeakPolarHBondContact O-CB 3.41Å; S348-R352 PolarHBondContact O-N 2.74Å
349	A	68.7	Low	61.6	Low	51 Å²	51	89.5 Å²	89.5	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-69.6	-42.3	178.6	0	0	0	0	0	112.1	G345 R352 K353	G345-A349 PolarHBondContact O-N 2.86Å; A349-R352 PolarHBondContact O-N 3.4Å; A349-K353 PolarHBondContact O-N 3.41Å
350	K	76.8	Confident	63.5	Low	159 Å²	159	81 Å²	81	69%	0.691	41%	0.411	S	S	*	.	H	α-helix	trans	-66.8	-42	175.7	-171.1	176.9	-178.9	179.8	0	111.5	I346 K353 T354	I346-K350 PolarHBondContact O-N 2.99Å; K350-K353 PolarHBondContact O-N 3.09Å; K350-T354 PolarHBondContact O-N 3.14Å; K350-T354 VanDerWaalsContact O-N 3.08Å; K350-T354 PolarHBondContact O-OG1 3.28Å
351	L	77.6	Confident	65.4	Low	37 Å²	37	78.1 Å²	78.1	19%	0.194	40%	0.404	C	S	.	.	H	α-helix	trans	-61.5	-46	174.3	-176.2	65.2	0	0	0	110.7	F347 K353 T354 V355 L377 I451	F347-L351 VanDerWaalsContact O-CB 3.29Å; F347-L351 WeakPolarHBondContact O-CB 3.39Å; F347-L351 PolarHBondContact O-N 3.2Å; L351-K353 PolarHBondContact O-N 3.36Å; L351-T354 WeakPolarHBondContact O-CB 3.43Å; L351-T354 PolarHBondContact O-N 3.43Å; L351-T354 VanDerWaalsContact O-N 3.11Å; L351-V355 HydrophobicContact CD1-CG2 4.27Å; L351-V355 HydrophobicContact CG-CG2 4.31Å; L351-V355 VanDerWaalsContact O-CG2 3.31Å; L351-V355 WeakPolarHBondContact O-CG2 3.23Å; L351-V355 PolarHBondContact O-N 3.05Å; L351-L377 HydrophobicContact CG-CD1 4.36Å; L351-I451 HydrophobicContact CD2-CD1 4.14Å; L351-I451 HydrophobicContact CD2-CG2 4.33Å
352	R	76.8	Confident	66.9	Low	97 Å²	97	74.7 Å²	74.7	37%	0.366	39%	0.39	S	S	.	.	H	α-helix	trans	-56.9	-48.4	177.1	-169.5	175.2	-176.6	172.2	1.7	112	S348 A349 T354 V355 T356 N372 L377	S348-R352 WeakPolarHBondContact O-CB 3.41Å; S348-R352 PolarHBondContact O-N 2.74Å; A349-R352 PolarHBondContact O-N 3.4Å; R352-T354 VanDerWaalsContact C-N 3.31Å; R352-T354 PolarHBondContact O-N 3.16Å; R352-V355 PolarHBondContact O-N 3.1Å; R352-T356 HydrophobicContact CG-CG2 4.27Å; R352-T356 WeakPolarHBondContact O-CB 3.25Å; R352-T356 VanDerWaalsContact O-CG2 3.25Å; R352-T356 WeakPolarHBondContact O-CG2 3.08Å; R352-T356 PolarHBondContact O-N 3.17Å; R352-T356 PolarHBondContact O-OG1 2.9Å; R352-N372 PolarHBondContact NE-O 3.01Å; R352-N372 PolarHBondContact NH2-O 2.9Å; R352-L377 HydrophobicContact CB-CD1 3.91Å; R352-L377 HydrophobicContact CG-CD1 4.28Å
353	K	79.1	Confident	68.3	Low	151 Å²	151	71.6 Å²	71.6	66%	0.657	36%	0.364	S	S	*	.	H	α-helix	trans	-59.6	-39.1	175.2	-72.6	-174.8	178.8	-172.3	0	113.1	A349 K350 L351 T356 A357	A349-K353 PolarHBondContact O-N 3.41Å; K350-K353 PolarHBondContact O-N 3.09Å; L351-K353 PolarHBondContact O-N 3.36Å; K353-T356 WeakPolarHBondContact CA-OG1 3.45Å; K353-T356 PolarHBondContact O-OG1 2.99Å; K353-A357 VanDerWaalsContact O-CB 3.26Å; K353-A357 WeakPolarHBondContact O-CB 3.21Å; K353-A357 PolarHBondContact O-N 3.06Å
354	T	79.5	Confident	69.7	Low	65 Å²	65	70.2 Å²	70.2	40%	0.399	36%	0.36	S	S	.	.	H	α-helix	trans	-68	-44.2	178.7	-51.8	0	0	0	0	110.9	K350 L351 R352 R358	K350-T354 PolarHBondContact O-N 3.14Å; K350-T354 VanDerWaalsContact O-N 3.08Å; K350-T354 PolarHBondContact O-OG1 3.28Å; L351-T354 WeakPolarHBondContact O-CB 3.43Å; L351-T354 PolarHBondContact O-N 3.43Å; L351-T354 VanDerWaalsContact O-N 3.11Å; R352-T354 VanDerWaalsContact C-N 3.31Å; R352-T354 PolarHBondContact O-N 3.16Å; T354-R358 WeakPolarHBondContact O-CB 3.48Å; T354-R358 WeakPolarHBondContact O-CG 3.25Å; T354-R358 PolarHBondContact O-N 2.89Å
355	V	80.3	Confident	70.5	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-42.6	178.3	176.3	0	0	0	0	111	L351 R352 R358 L359 L377 F398 H400 A453	L351-V355 HydrophobicContact CD1-CG2 4.27Å; L351-V355 HydrophobicContact CG-CG2 4.31Å; L351-V355 VanDerWaalsContact O-CG2 3.31Å; L351-V355 WeakPolarHBondContact O-CG2 3.23Å; L351-V355 PolarHBondContact O-N 3.05Å; R352-V355 PolarHBondContact O-N 3.1Å; V355-R358 PolarHBondContact O-N 2.91Å; V355-L359 WeakPolarHBondContact O-CB 3.28Å; V355-L359 PolarHBondContact O-N 3.29Å; V355-L377 HydrophobicContact CB-CD2 4.18Å; V355-L377 HydrophobicContact CG1-CD2 3.82Å; V355-L377 HydrophobicContact CG2-CD2 4.11Å; V355-F398 HydrophobicContact CG1-CD1 3.93Å; V355-F398 HydrophobicContact CG1-CE1 4Å; V355-H400 HydrophobicContact CG2-CB 3.97Å; V355-A453 HydrophobicContact CG1-CB 3.76Å
356	T	77.9	Confident	71	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.018	37%	0.372	C	S	.	.	H	α-helix	trans	-68.1	-42	179.3	56.5	0	0	0	0	112.1	R352 K353 L359 A360 N372 I375	R352-T356 HydrophobicContact CG-CG2 4.27Å; R352-T356 WeakPolarHBondContact O-CB 3.25Å; R352-T356 VanDerWaalsContact O-CG2 3.25Å; R352-T356 WeakPolarHBondContact O-CG2 3.08Å; R352-T356 PolarHBondContact O-N 3.17Å; R352-T356 PolarHBondContact O-OG1 2.9Å; K353-T356 WeakPolarHBondContact CA-OG1 3.45Å; K353-T356 PolarHBondContact O-OG1 2.99Å; T356-L359 PolarHBondContact O-N 3.44Å; T356-A360 VanDerWaalsContact O-CB 3.23Å; T356-A360 WeakPolarHBondContact O-CB 3.47Å; T356-A360 PolarHBondContact O-N 3.36Å; T356-N372 WeakPolarHBondContact CB-OD1 3.39Å; T356-N372 VanDerWaalsContact CG2-OD1 3.28Å; T356-N372 WeakPolarHBondContact CG2-OD1 3.43Å; T356-N372 PolarHBondContact OG1-OD1 2.84Å; T356-I375 HydrophobicContact CG2-CD1 3.61Å
357	A	79.3	Confident	71.8	Confident	23 Å²	23	74 Å²	74	19%	0.19	36%	0.36	C	S	.	.	H	α-helix	trans	-60.4	-47.2	173.4	0	0	0	0	0	111.5	K353 L359 A360 E361	K353-A357 VanDerWaalsContact O-CB 3.26Å; K353-A357 WeakPolarHBondContact O-CB 3.21Å; K353-A357 PolarHBondContact O-N 3.06Å; A357-L359 PolarHBondContact O-N 3.05Å; A357-A360 PolarHBondContact O-N 3.49Å; A357-E361 WeakPolarHBondContact O-CG 3.39Å; A357-E361 PolarHBondContact O-N 3.19Å
358	R	79.6	Confident	72.2	Confident	120 Å²	120	71.2 Å²	71.2	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-42.5	176.7	-77.1	-57	-162.8	-174.1	3.6	113.2	T354 V355 A360 E361 I362	T354-R358 WeakPolarHBondContact O-CB 3.48Å; T354-R358 WeakPolarHBondContact O-CG 3.25Å; T354-R358 PolarHBondContact O-N 2.89Å; V355-R358 PolarHBondContact O-N 2.91Å; R358-A360 VanDerWaalsContact C-N 3.35Å; R358-E361 WeakPolarHBondContact CD-OE2 3.3Å; R358-E361 IonicContact CZ-OE2 2.89Å; R358-E361 IonicContact NE-OE2 3.88Å; R358-E361 IonicContact NH1-OE1 2.66Å; R358-E361 IonicContact NH1-OE2 3.37Å; R358-E361 PolarHBondContact NH1-OE2 3.48Å; R358-E361 PolarHBondContact O-N 2.92Å; R358-I362 WeakPolarHBondContact O-CG1 3.27Å; R358-I362 PolarHBondContact O-N 3.09Å; R358-I362 VanDerWaalsContact O-N 3.1Å
359	L	76.9	Confident	72.2	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-42.1	177.2	-174.1	148.7	0	0	0	110.1	V355 T356 A357 E361 I362 I363 L371 I375 F398 I455	V355-L359 WeakPolarHBondContact O-CB 3.28Å; V355-L359 PolarHBondContact O-N 3.29Å; T356-L359 PolarHBondContact O-N 3.44Å; A357-L359 PolarHBondContact O-N 3.05Å; L359-E361 PolarHBondContact O-N 2.85Å; L359-I362 PolarHBondContact O-N 2.61Å; L359-I363 HydrophobicContact CD2-CD1 3.33Å; L359-I363 HydrophobicContact CD2-CG1 3.86Å; L359-I363 HydrophobicContact CG-CD1 4.26Å; L359-I363 HydrophobicContact CG-CG1 4.4Å; L359-I363 WeakPolarHBondContact O-CB 3.34Å; L359-I363 WeakPolarHBondContact O-CG1 3.46Å; L359-I363 PolarHBondContact O-N 3Å; L359-L371 HydrophobicContact CD2-CD1 3.79Å; L359-L371 HydrophobicContact CD2-CD2 3.67Å; L359-L371 HydrophobicContact CD2-CG 4.3Å; L359-I375 HydrophobicContact CD1-CD1 4.14Å; L359-I375 HydrophobicContact CD2-CD1 4.1Å; L359-F398 HydrophobicContact CB-CD1 4.43Å; L359-F398 HydrophobicContact CB-CE1 4.46Å; L359-F398 HydrophobicContact CD1-CB 3.77Å; L359-F398 HydrophobicContact CD1-CD1 3.99Å; L359-F398 HydrophobicContact CD1-CG 3.84Å; L359-I455 HydrophobicContact CD1-CD1 3.99Å; L359-I455 HydrophobicContact CD2-CD1 4.26Å
360	A	74	Confident	72	Confident	2 Å²	2	73.3 Å²	73.3	2%	0.017	35%	0.354	C	S	.	.	H	α-helix	trans	-61	-40.2	175.4	0	0	0	0	0	112.6	T356 A357 R358 I363 E364 L365 E368 L371	T356-A360 VanDerWaalsContact O-CB 3.23Å; T356-A360 WeakPolarHBondContact O-CB 3.47Å; T356-A360 PolarHBondContact O-N 3.36Å; A357-A360 PolarHBondContact O-N 3.49Å; R358-A360 VanDerWaalsContact C-N 3.35Å; A360-I363 PolarHBondContact O-N 2.86Å; A360-E364 PolarHBondContact O-N 2.86Å; A360-L365 HydrophobicContact CB-CB 4.49Å; A360-L365 PolarHBondContact O-N 3.43Å; A360-E368 HydrophobicContact CB-CG 3.98Å; A360-L371 HydrophobicContact CB-CD1 3.79Å
361	E	74.5	Confident	71.5	Confident	113 Å²	113	65.8 Å²	65.8	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-48.2	173.3	-74.9	175.7	177	0	0	111.8	A357 R358 L359 I363 E364	A357-E361 WeakPolarHBondContact O-CG 3.39Å; A357-E361 PolarHBondContact O-N 3.19Å; R358-E361 WeakPolarHBondContact CD-OE2 3.3Å; R358-E361 IonicContact CZ-OE2 2.89Å; R358-E361 IonicContact NE-OE2 3.88Å; R358-E361 IonicContact NH1-OE1 2.66Å; R358-E361 IonicContact NH1-OE2 3.37Å; R358-E361 PolarHBondContact NH1-OE2 3.48Å; R358-E361 PolarHBondContact O-N 2.92Å; L359-E361 PolarHBondContact O-N 2.85Å; E361-I363 VanDerWaalsContact C-N 3.29Å; E361-I363 PolarHBondContact O-N 2.87Å; E361-E364 PolarHBondContact O-N 2.9Å; E361-E364 VanDerWaalsContact O-N 3.16Å
362	I	69.2	Low	71.1	Confident	65 Å²	65	66 Å²	66	33%	0.333	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-35.2	179.8	-65.7	166.6	0	0	0	111.3	R358 L359 E364 F398 D426 L428 L475	R358-I362 WeakPolarHBondContact O-CG1 3.27Å; R358-I362 PolarHBondContact O-N 3.09Å; R358-I362 VanDerWaalsContact O-N 3.1Å; L359-I362 PolarHBondContact O-N 2.61Å; I362-E364 PolarHBondContact O-N 2.73Å; I362-F398 HydrophobicContact CD1-CD2 4.49Å; I362-F398 HydrophobicContact CD1-CE2 3.41Å; I362-F398 VanDerWaalsContact CD1-CE2 3.41Å; I362-F398 HydrophobicContact CD1-CZ 3.79Å; I362-D426 HydrophobicContact CD1-CB 4.11Å; I362-L428 HydrophobicContact CG2-CD1 4.2Å; I362-L475 HydrophobicContact CG2-CD2 3.92Å
363	I	65.1	Low	70.7	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-71.2	-19.3	176.4	-81.2	-156.2	0	0	0	112.8	L359 A360 E361 L365 L371 F463 T472 L475	L359-I363 HydrophobicContact CD2-CD1 3.33Å; L359-I363 HydrophobicContact CD2-CG1 3.86Å; L359-I363 HydrophobicContact CG-CD1 4.26Å; L359-I363 HydrophobicContact CG-CG1 4.4Å; L359-I363 WeakPolarHBondContact O-CB 3.34Å; L359-I363 WeakPolarHBondContact O-CG1 3.46Å; L359-I363 PolarHBondContact O-N 3Å; A360-I363 PolarHBondContact O-N 2.86Å; E361-I363 VanDerWaalsContact C-N 3.29Å; E361-I363 PolarHBondContact O-N 2.87Å; I363-L365 VanDerWaalsContact C-N 3.28Å; I363-L365 HydrophobicContact CG2-CB 3.59Å; I363-L365 HydrophobicContact CG2-CD1 3.31Å; I363-L365 HydrophobicContact CG2-CG 4.09Å; I363-L371 HydrophobicContact CD1-CD2 4.22Å; I363-F463 HydrophobicContact CD1-CE1 4.36Å; I363-F463 HydrophobicContact CD1-CZ 3.92Å; I363-F463 HydrophobicContact CG2-CZ 3.84Å; I363-T472 HydrophobicContact CB-CG2 3.84Å; I363-T472 HydrophobicContact CD1-CG2 3.79Å; I363-T472 HydrophobicContact CG1-CG2 3.63Å; I363-T472 HydrophobicContact CG2-CG2 3.57Å; I363-T472 WeakPolarHBondContact CG2-OG1 3.41Å; I363-T472 PolarHBondContact O-OG1 3.11Å; I363-L475 HydrophobicContact CD1-CD1 3.92Å; I363-L475 HydrophobicContact CG1-CD1 3.75Å; I363-L475 HydrophobicContact CG1-CD2 4Å; I363-L475 HydrophobicContact CG1-CG 4.33Å
364	E	64.7	Low	70.4	Confident	143 Å²	143	63.1 Å²	63.1	67%	0.668	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	39.3	-165.9	-59.5	179.8	177.5	0	0	112.4	A360 E361 I362	A360-E364 PolarHBondContact O-N 2.86Å; E361-E364 PolarHBondContact O-N 2.9Å; E361-E364 VanDerWaalsContact O-N 3.16Å; I362-E364 PolarHBondContact O-N 2.73Å
365	L	63.6	Low	70.4	Confident	31 Å²	31	60.2 Å²	60.2	16%	0.162	30%	0.303	C	S	.	.			trans	-81.1	138	176.3	-134.2	96.6	0	0	0	110.8	A360 I363 D367 A370 L371 F463 V468	A360-L365 HydrophobicContact CB-CB 4.49Å; A360-L365 PolarHBondContact O-N 3.43Å; I363-L365 VanDerWaalsContact C-N 3.28Å; I363-L365 HydrophobicContact CG2-CB 3.59Å; I363-L365 HydrophobicContact CG2-CD1 3.31Å; I363-L365 HydrophobicContact CG2-CG 4.09Å; L365-D367 HydrophobicContact CD2-CB 4.26Å; L365-D367 WeakPolarHBondContact CD2-O 3.22Å; L365-A370 HydrophobicContact CD2-CB 4.25Å; L365-L371 HydrophobicContact CB-CD1 4.48Å; L365-L371 HydrophobicContact CD2-CD1 4.41Å; L365-F463 HydrophobicContact CD1-CE1 4.32Å; L365-F463 HydrophobicContact CD1-CE2 3.29Å; L365-F463 HydrophobicContact CD1-CZ 3.13Å; L365-F463 HydrophobicContact CD2-CE2 4.26Å; L365-F463 HydrophobicContact CG-CE2 4.43Å; L365-V468 HydrophobicContact CD1-CG1 4.14Å; L365-V468 HydrophobicContact CG-CG1 4.48Å
366	H	61.2	Low	70.5	Confident	186 Å²	186	62.9 Å²	62.9	86%	0.861	32%	0.319	S	S	*	.	S	Bend	trans	-78	-21.9	171.5	-65	-59.7	0	0	0	113.6
367	D	65.2	Low	70.8	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.444	33%	0.332	S	S	.	.			trans	-119.9	93.3	-175.1	-171	7.7	0	0	0	112.7	L365 N369 A370	L365-D367 HydrophobicContact CD2-CB 4.26Å; L365-D367 WeakPolarHBondContact CD2-O 3.22Å; D367-N369 PolarHBondContact O-N 2.79Å; D367-N369 VanDerWaalsContact O-N 3.14Å; D367-N369 WeakPolarHBondContact OD1-CB 3.22Å; D367-N369 PolarHBondContact OD1-N 2.82Å; D367-N369 PolarHBondContact OD1-ND2 3.42Å; D367-A370 PolarHBondContact O-N 3.43Å
368	E	61	Low	71.1	Confident	96 Å²	96	69.2 Å²	69.2	45%	0.449	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.8	178.4	-62.3	-175.5	171.2	0	0	113.1	A360 A370 L371	A360-E368 HydrophobicContact CB-CG 3.98Å; E368-A370 VanDerWaalsContact C-N 3.32Å; E368-A370 PolarHBondContact O-N 3.46Å; E368-L371 PolarHBondContact O-N 3.03Å
369	N	65.2	Low	71.5	Confident	117 Å²	117	67 Å²	67	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-69.5	-31.3	-173.7	-63.1	-46.7	0	0	0	112.3	D367 L371 N372	D367-N369 PolarHBondContact O-N 2.79Å; D367-N369 VanDerWaalsContact O-N 3.14Å; D367-N369 WeakPolarHBondContact OD1-CB 3.22Å; D367-N369 PolarHBondContact OD1-N 2.82Å; D367-N369 PolarHBondContact OD1-ND2 3.42Å; N369-L371 PolarHBondContact O-N 3.15Å; N369-N372 PolarHBondContact O-N 3.01Å
370	A	64.1	Low	72.1	Confident	40 Å²	40	68.4 Å²	68.4	33%	0.331	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-28	179.4	0	0	0	0	0	112.7	L365 D367 E368 M374	L365-A370 HydrophobicContact CD2-CB 4.25Å; D367-A370 PolarHBondContact O-N 3.43Å; E368-A370 VanDerWaalsContact C-N 3.32Å; E368-A370 PolarHBondContact O-N 3.46Å; A370-M374 WeakPolarHBondContact O-CE 3.45Å
371	L	67.4	Low	73	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-85.8	-24.4	-177.7	-76.6	159	0	0	0	113.3	L359 A360 I363 L365 E368 N369 D373 M374 I375 F463	L359-L371 HydrophobicContact CD2-CD1 3.79Å; L359-L371 HydrophobicContact CD2-CD2 3.67Å; L359-L371 HydrophobicContact CD2-CG 4.3Å; A360-L371 HydrophobicContact CB-CD1 3.79Å; I363-L371 HydrophobicContact CD1-CD2 4.22Å; L365-L371 HydrophobicContact CB-CD1 4.48Å; L365-L371 HydrophobicContact CD2-CD1 4.41Å; E368-L371 PolarHBondContact O-N 3.03Å; N369-L371 PolarHBondContact O-N 3.15Å; L371-D373 VanDerWaalsContact C-N 3.31Å; L371-D373 PolarHBondContact O-N 3.22Å; L371-M374 PolarHBondContact O-N 2.83Å; L371-M374 VanDerWaalsContact O-N 3.09Å; L371-I375 HydrophobicContact CB-CD1 3.96Å; L371-I375 HydrophobicContact CD2-CD1 4.27Å; L371-I375 WeakPolarHBondContact O-CG1 3.33Å; L371-I375 PolarHBondContact O-N 2.84Å; L371-F463 HydrophobicContact CD2-CD2 4.46Å; L371-F463 HydrophobicContact CD2-CE2 3.99Å; L371-F463 HydrophobicContact CG-CE2 4.39Å
372	N	68.6	Low	73.7	Confident	41 Å²	41	69.9 Å²	69.9	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-57.6	-42.3	-171.6	-82.3	-31.4	0	0	0	112.2	R352 T356 N369	R352-N372 PolarHBondContact NE-O 3.01Å; R352-N372 PolarHBondContact NH2-O 2.9Å; T356-N372 WeakPolarHBondContact CB-OD1 3.39Å; T356-N372 VanDerWaalsContact CG2-OD1 3.28Å; T356-N372 WeakPolarHBondContact CG2-OD1 3.43Å; T356-N372 PolarHBondContact OG1-OD1 2.84Å; N369-N372 PolarHBondContact O-N 3.01Å
373	D	69	Low	74.5	Confident	147 Å²	147	71.7 Å²	71.7	79%	0.786	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.3	-177.8	-68.2	-19.9	0	0	0	114.1	L371	L371-D373 VanDerWaalsContact C-N 3.31Å; L371-D373 PolarHBondContact O-N 3.22Å
374	M	72.9	Confident	75.7	Confident	41 Å²	41	75 Å²	75	20%	0.202	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-17.7	-172.5	-64.3	-167.6	-163.1	0	0	114.4	A370 L371 N459	A370-M374 WeakPolarHBondContact O-CE 3.45Å; L371-M374 PolarHBondContact O-N 2.83Å; L371-M374 VanDerWaalsContact O-N 3.09Å; M374-N459 HydrophobicContact CB-CB 4.04Å; M374-N459 HydrophobicContact CG-CB 4.2Å; M374-N459 PolarHBondContact O-ND2 3.37Å; M374-N459 HydrophobicContact SD-CB 4.22Å
375	I	77.7	Confident	76.7	Confident	3 Å²	3	72 Å²	72	2%	0.015	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.8	-171.5	-64.9	164.6	0	0	0	111	T356 L359 L371 L377 A453 I455	T356-I375 HydrophobicContact CG2-CD1 3.61Å; L359-I375 HydrophobicContact CD1-CD1 4.14Å; L359-I375 HydrophobicContact CD2-CD1 4.1Å; L371-I375 HydrophobicContact CB-CD1 3.96Å; L371-I375 HydrophobicContact CD2-CD1 4.27Å; L371-I375 WeakPolarHBondContact O-CG1 3.33Å; L371-I375 PolarHBondContact O-N 2.84Å; I375-L377 HydrophobicContact CG2-CD2 4.37Å; I375-A453 HydrophobicContact CG2-CB 3.69Å; I375-I455 HydrophobicContact CG1-CD1 4.26Å; I375-I455 HydrophobicContact CG1-CG1 3.89Å
376	T	83.1	Confident	77.7	Confident	57 Å²	57	71.8 Å²	71.8	35%	0.35	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128	169.5	62.8	0	0	0	0	110.3	A453 I454	T376-A453 CarbonylContact O-C 3.55Å; T376-A453 WeakPolarHBondContact O-CA 3.4Å; T376-I454 PolarHBondContact N-O 3.23Å; T376-I454 PolarHBondContact O-N 2.94Å; T376-I454 PolarHBondContact OG1-O 3.45Å
377	L	84.9	Confident	78.8	Confident	55 Å²	55	63.2 Å²	63.2	29%	0.288	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.6	177.6	-68.8	178.6	0	0	0	110.1	L351 R352 V355 I375 A453	L351-L377 HydrophobicContact CG-CD1 4.36Å; R352-L377 HydrophobicContact CB-CD1 3.91Å; R352-L377 HydrophobicContact CG-CD1 4.28Å; V355-L377 HydrophobicContact CB-CD2 4.18Å; V355-L377 HydrophobicContact CG1-CD2 3.82Å; V355-L377 HydrophobicContact CG2-CD2 4.11Å; I375-L377 HydrophobicContact CG2-CD2 4.37Å; L377-A453 HydrophobicContact CD2-CB 3.62Å
378	K	85.3	Confident	79.8	Confident	104 Å²	104	64.9 Å²	64.9	45%	0.452	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.4	174.1	-65.6	-172.8	-173.9	170.8	0	110.3	Y380 V452 I454	K378-Y380 HydrophobicContact CB-CD2 4.31Å; K378-Y380 HydrophobicContact CB-CE2 3.68Å; K378-Y380 WeakPolarHBondContact CD-OH 3.29Å; K378-V452 PolarHBondContact N-O 2.83Å; K378-V452 PolarHBondContact O-N 2.81Å; K378-I454 HydrophobicContact CB-CD1 4.45Å; K378-I454 HydrophobicContact CD-CD1 3.76Å; K378-I454 HydrophobicContact CG-CD1 4.24Å
379	S	87.8	Confident	80.8	Confident	73 Å²	73	63.1 Å²	63.1	51%	0.51	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.9	170.6	172.8	0	0	0	0	108.4
380	Y	90.1	Very high	81.3	Confident	31 Å²	31	59.8 Å²	59.8	12%	0.122	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.6	179.3	-69.9	-74.5	0	0	0	110.7	K378 H384 I386 T446 Q449 S450 V452 I454	K378-Y380 HydrophobicContact CB-CD2 4.31Å; K378-Y380 HydrophobicContact CB-CE2 3.68Å; K378-Y380 WeakPolarHBondContact CD-OH 3.29Å; Y380-H384 AromaticContact CD1-CD2 3.14Å; Y380-H384 WeakPolarHBondContact CD1-CD2 3.21Å; Y380-H384 AromaticContact CD1-CG 3.91Å; Y380-H384 AromaticContact CD1-NE2 3.51Å; Y380-H384 AromaticContact CE1-CD2 3.49Å; Y380-H384 VanDerWaalsContact CE1-CD2 3.49Å; Y380-H384 WeakPolarHBondContact CE1-CD2 3.36Å; Y380-H384 AromaticContact CE1-NE2 3.46Å; Y380-H384 WeakPolarHBondContact CE1-NE2 3.39Å; Y380-I386 HydrophobicContact CD2-CD1 3.93Å; Y380-I386 HydrophobicContact CD2-CG1 4.26Å; Y380-I386 HydrophobicContact CE2-CD1 4.09Å; Y380-I386 HydrophobicContact CE2-CG1 4.26Å; Y380-I386 HydrophobicContact CE2-CG2 4.4Å; Y380-I386 HydrophobicContact CG-CD1 4.44Å; Y380-I386 HydrophobicContact CG-CG1 4.42Å; Y380-T446 HydrophobicContact CG-CG2 4.43Å; Y380-Q449 WeakPolarHBondContact O-CA 3.45Å; Y380-S450 PolarHBondContact N-O 3.47Å; Y380-S450 PolarHBondContact O-N 3.42Å; Y380-V452 HydrophobicContact CD2-CB 4.27Å; Y380-V452 HydrophobicContact CD2-CG2 4.15Å; Y380-V452 HydrophobicContact CE2-CB 4.28Å; Y380-I454 HydrophobicContact CE2-CD1 4.38Å
381	P	92.4	Very high	82.1	Confident	73 Å²	73	59.5 Å²	59.5	47%	0.474	33%	0.33	S	S	.	.			trans	-67.3	166.8	170.4	30.4	-33.4	0	0	0	110.6	H384 T446	P381-H384 HydrophobicContact CG-CB 4.24Å; P381-H384 WeakPolarHBondContact O-CB 3.49Å; P381-T446 WeakPolarHBondContact O-CB 3.19Å; P381-T446 PolarHBondContact O-OG1 2.83Å
382	P	89.4	Confident	82.2	Confident	74 Å²	74	63.8 Å²	63.8	48%	0.481	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	154.1	172.8	28	-35.5	0	0	0	111.9	H384 K447	P382-H384 PolarHBondContact O-N 3.48Å; P382-K447 WeakPolarHBondContact CB-O 3.17Å
383	N	86.6	Confident	82.1	Confident	103 Å²	103	63.6 Å²	63.6	55%	0.551	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	22.7	-178.1	-66.8	-17.1	0	0	0	115.6	R445 T446	N383-R445 PolarHBondContact OD1-NH2 3.47Å; N383-T446 WeakPolarHBondContact CA-O 3.25Å; N383-T446 PolarHBondContact N-O 3.41Å; N383-T446 PolarHBondContact N-OG1 3.38Å
384	H	89.8	Confident	81.9	Confident	76 Å²	76	56.9 Å²	56.9	35%	0.352	32%	0.318	S	S	.	.			trans	-87.9	131.6	175.5	-169.9	80.7	0	0	0	111.2	Y380 P381 P382 R445 T446	Y380-H384 AromaticContact CD1-CD2 3.14Å; Y380-H384 WeakPolarHBondContact CD1-CD2 3.21Å; Y380-H384 AromaticContact CD1-CG 3.91Å; Y380-H384 AromaticContact CD1-NE2 3.51Å; Y380-H384 AromaticContact CE1-CD2 3.49Å; Y380-H384 VanDerWaalsContact CE1-CD2 3.49Å; Y380-H384 WeakPolarHBondContact CE1-CD2 3.36Å; Y380-H384 AromaticContact CE1-NE2 3.46Å; Y380-H384 WeakPolarHBondContact CE1-NE2 3.39Å; P381-H384 HydrophobicContact CG-CB 4.24Å; P381-H384 WeakPolarHBondContact O-CB 3.49Å; P382-H384 PolarHBondContact O-N 3.48Å; H384-R445 CarbonylContact O-C 3.59Å; H384-R445 WeakPolarHBondContact O-CA 3.21Å; H384-R445 WeakPolarHBondContact O-CG 3.43Å; H384-T446 PolarHBondContact N-OG1 3.11Å; H384-T446 PolarHBondContact O-N 2.88Å; H384-T446 PolarHBondContact O-OG1 2.96Å
385	L	85.8	Confident	82.3	Confident	78 Å²	78	57.1 Å²	57.1	41%	0.408	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.9	175.7	-177.3	138.4	0	0	0	109.4	Q388 T443	L385-Q388 HydrophobicContact CD1-CB 4.49Å; L385-Q388 HydrophobicContact CD1-CG 4.44Å; L385-Q388 HydrophobicContact CD2-CB 3.9Å; L385-T443 HydrophobicContact CD1-CG2 3.57Å; L385-T443 HydrophobicContact CG-CG2 4.32Å
386	I	85	Confident	82.5	Confident	28 Å²	28	57.2 Å²	57.2	14%	0.144	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-48.8	178.9	-53.2	178	0	0	0	109.9	Y380 L397 L404 V444 T446 V452	Y380-I386 HydrophobicContact CD2-CD1 3.93Å; Y380-I386 HydrophobicContact CD2-CG1 4.26Å; Y380-I386 HydrophobicContact CE2-CD1 4.09Å; Y380-I386 HydrophobicContact CE2-CG1 4.26Å; Y380-I386 HydrophobicContact CE2-CG2 4.4Å; Y380-I386 HydrophobicContact CG-CD1 4.44Å; Y380-I386 HydrophobicContact CG-CG1 4.42Å; I386-L397 HydrophobicContact CB-CD1 4.44Å; I386-L397 HydrophobicContact CG2-CD1 3.73Å; I386-L397 HydrophobicContact CG2-CD2 4.2Å; I386-L404 HydrophobicContact CD1-CD1 4.42Å; I386-L404 HydrophobicContact CD1-CD2 3.75Å; I386-V444 PolarHBondContact N-O 3.03Å; I386-T446 HydrophobicContact CD1-CG2 3.85Å; I386-T446 HydrophobicContact CG1-CG2 4.24Å; I386-V452 HydrophobicContact CD1-CG2 4.13Å
387	I	84.6	Confident	82.6	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.4	-179.3	-61.9	179.1	0	0	0	107.6	L397 S440 T443 V444	I387-L397 HydrophobicContact CD1-CD1 3.48Å; I387-L397 VanDerWaalsContact CD1-CD1 3.48Å; I387-L397 HydrophobicContact CD1-CG 4.09Å; I387-L397 HydrophobicContact CG1-CD1 3.99Å; I387-S440 WeakPolarHBondContact CG2-OG 3.24Å; I387-T443 CarbonylContact O-C 3.52Å; I387-T443 WeakPolarHBondContact O-CA 3.39Å; I387-T443 WeakPolarHBondContact O-CG2 3.15Å; I387-V444 HydrophobicContact CB-CB 4.09Å; I387-V444 HydrophobicContact CB-CG2 4.11Å; I387-V444 HydrophobicContact CD1-CG2 4.38Å; I387-V444 PolarHBondContact N-O 3.28Å; I387-V444 PolarHBondContact O-N 3.11Å
388	Q	84.4	Confident	82.6	Confident	119 Å²	119	52.1 Å²	52.1	56%	0.556	29%	0.291	S	S	*	.			trans	-93.8	142.5	170.5	-163.2	170.8	-30.6	0	0	109.5	L385 G390 S391	L385-Q388 HydrophobicContact CD1-CB 4.49Å; L385-Q388 HydrophobicContact CD1-CG 4.44Å; L385-Q388 HydrophobicContact CD2-CB 3.9Å; Q388-G390 PolarHBondContact O-N 3.42Å; Q388-S391 PolarHBondContact N-OG 3.08Å; Q388-S391 VanDerWaalsContact O-CB 3.23Å; Q388-S391 WeakPolarHBondContact O-CB 3.5Å; Q388-S391 PolarHBondContact O-N 3.39Å; Q388-S391 PolarHBondContact O-OG 2.75Å
389	E	81.8	Confident	82.7	Confident	59 Å²	59	47.2 Å²	47.2	28%	0.276	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	134	166.6	179.9	179.4	168	0	0	110.4	S391 K408 S409 S440 T443	E389-S391 PolarHBondContact O-N 3.41Å; E389-K408 VanDerWaalsContact CD-NZ 3.33Å; E389-K408 WeakPolarHBondContact OE1-CE 3.36Å; E389-K408 IonicContact OE1-NZ 2.69Å; E389-K408 PolarHBondContact OE1-NZ 2.9Å; E389-K408 IonicContact OE2-NZ 3.08Å; E389-K408 PolarHBondContact OE2-NZ 3.16Å; E389-S409 PolarHBondContact OE1-OG 2.91Å; E389-S409 PolarHBondContact OE2-N 3.08Å; E389-S409 PolarHBondContact OE2-OG 3.28Å; E389-S440 WeakPolarHBondContact CA-O 3.41Å; E389-T443 VanDerWaalsContact CB-OG1 3.3Å; E389-T443 WeakPolarHBondContact CB-OG1 3.38Å; E389-T443 PolarHBondContact N-OG1 3.09Å
390	G	76.8	Confident	82.6	Confident	47 Å²	47	45.7 Å²	45.7	49%	0.485	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-6.3	-176.5	0	0	0	0	0	114.8	Q388 M392 S440	Q388-G390 PolarHBondContact O-N 3.42Å; G390-M392 WeakPolarHBondContact O-CE 3.49Å; G390-S440 PolarHBondContact N-O 3.39Å
391	S	80.1	Confident	82.5	Confident	33 Å²	33	46.2 Å²	46.2	23%	0.231	26%	0.263	C	S	.	.			trans	-72.3	147.6	175.5	68.2	0	0	0	0	112.2	Q388 E389 S393 S440	Q388-S391 PolarHBondContact N-OG 3.08Å; Q388-S391 VanDerWaalsContact O-CB 3.23Å; Q388-S391 WeakPolarHBondContact O-CB 3.5Å; Q388-S391 PolarHBondContact O-N 3.39Å; Q388-S391 PolarHBondContact O-OG 2.75Å; E389-S391 PolarHBondContact O-N 3.41Å; S391-S393 PolarHBondContact O-N 3.36Å; S391-S393 PolarHBondContact OG-OG 3.26Å; S391-S393 VanDerWaalsContact OG-OG 3.13Å; S391-S440 PolarHBondContact O-N 2.92Å; S391-S440 VanDerWaalsContact O-N 3.11Å
392	M	71	Confident	82.3	Confident	93 Å²	93	43.6 Å²	43.6	46%	0.458	25%	0.249	S	C	.	.			trans	-82.2	10.7	178.5	-65.1	-61.6	101.3	0	0	113.7	G390 C394 P439	G390-M392 WeakPolarHBondContact O-CE 3.49Å; M392-C394 VanDerWaalsContact C-N 3.33Å; M392-C394 PolarHBondContact O-N 3.48Å; M392-C394 PolarHBondContact O-SG 3.29Å; M392-P439 VanDerWaalsContact CE-CA 3.47Å; M392-P439 HydrophobicContact CE-CB 3.3Å; M392-P439 HydrophobicContact CE-CG 3.71Å
393	S	65.8	Low	82.3	Confident	36 Å²	36	40.4 Å²	40.4	25%	0.252	23%	0.228	S	C	.	.			trans	-70.3	93.3	175.4	48.5	0	0	0	0	109.8	S391 D395 S440	S391-S393 PolarHBondContact O-N 3.36Å; S391-S393 PolarHBondContact OG-OG 3.26Å; S391-S393 VanDerWaalsContact OG-OG 3.13Å; S393-D395 PolarHBondContact O-N 2.77Å; S393-S440 PolarHBondContact O-OG 2.91Å
394	C	65.4	Low	82.4	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.041	20%	0.202	C	C	.	.			trans	-86.9	37	179.5	-61.2	0	0	0	0	111.1	M392 A434 N437 A457	M392-C394 VanDerWaalsContact C-N 3.33Å; M392-C394 PolarHBondContact O-N 3.48Å; M392-C394 PolarHBondContact O-SG 3.29Å; C394-A434 VanDerWaalsContact O-CA 3.26Å; C394-A434 WeakPolarHBondContact O-CA 3.46Å; C394-A434 WeakPolarHBondContact O-CB 3.46Å; C394-N437 PolarHBondContact SG-OD1 3.37Å; C394-N437 VanDerWaalsContact SG-OD1 3.38Å; C394-A457 HydrophobicContact CB-CB 3.98Å; C394-A457 WeakPolarHBondContact O-CB 3.49Å
395	D	81.4	Confident	82.3	Confident	46 Å²	46	32.6 Å²	32.6	25%	0.246	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-93.3	136.6	-176	-62	-24.5	0	0	0	110.3	S393 I454 N456 A457	S393-D395 PolarHBondContact O-N 2.77Å; D395-I454 HydrophobicContact CB-CG2 3.59Å; D395-N456 WeakPolarHBondContact OD1-CA 3.33Å; D395-A457 PolarHBondContact OD1-N 3.09Å
396	L	80.9	Confident	82.4	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.1	173.8	179.7	70.4	0	0	0	108.9	L428 A434 I455 L460 L475	L396-L428 HydrophobicContact CD1-CB 4.45Å; L396-L428 HydrophobicContact CD1-CD2 4.2Å; L396-L428 HydrophobicContact CD2-CD2 4.25Å; L396-L428 HydrophobicContact CG-CD2 4.09Å; L396-A434 HydrophobicContact CB-CB 4.26Å; L396-I455 HydrophobicContact CB-CB 4.27Å; L396-I455 HydrophobicContact CD2-CD1 4.27Å; L396-I455 PolarHBondContact N-O 3.31Å; L396-I455 PolarHBondContact O-N 2.73Å; L396-L460 HydrophobicContact CD2-CD1 4.14Å; L396-L475 HydrophobicContact CD2-CD1 4.06Å
397	L	84.8	Confident	82.6	Confident	3 Å²	3	29 Å²	29	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.7	-178.5	-56.7	-180	0	0	0	110.4	I386 I387 L428 V429 V444 V452 I454	I386-L397 HydrophobicContact CB-CD1 4.44Å; I386-L397 HydrophobicContact CG2-CD1 3.73Å; I386-L397 HydrophobicContact CG2-CD2 4.2Å; I387-L397 HydrophobicContact CD1-CD1 3.48Å; I387-L397 VanDerWaalsContact CD1-CD1 3.48Å; I387-L397 HydrophobicContact CD1-CG 4.09Å; I387-L397 HydrophobicContact CG1-CD1 3.99Å; L397-L428 CarbonylContact O-C 3.51Å; L397-L428 VanDerWaalsContact O-CA 3.32Å; L397-L428 WeakPolarHBondContact O-CA 3.34Å; L397-V429 HydrophobicContact CB-CB 4.3Å; L397-V429 PolarHBondContact N-O 3.19Å; L397-V429 PolarHBondContact O-N 3.4Å; L397-V444 HydrophobicContact CD1-CG1 4.44Å; L397-V452 HydrophobicContact CB-CG1 3.87Å; L397-V452 HydrophobicContact CD2-CG1 3.97Å; L397-V452 HydrophobicContact CG-CG1 4.41Å; L397-I454 HydrophobicContact CD2-CB 4.31Å; L397-I454 HydrophobicContact CD2-CD1 4.17Å; L397-I454 HydrophobicContact CD2-CG1 3.73Å; L397-I454 HydrophobicContact CD2-CG2 4.07Å
398	F	85.6	Confident	82.7	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121	170.4	175.9	-112	0	0	0	110.2	V355 L359 I362 H400 L428 V452 A453	V355-F398 HydrophobicContact CG1-CD1 3.93Å; V355-F398 HydrophobicContact CG1-CE1 4Å; L359-F398 HydrophobicContact CB-CD1 4.43Å; L359-F398 HydrophobicContact CB-CE1 4.46Å; L359-F398 HydrophobicContact CD1-CB 3.77Å; L359-F398 HydrophobicContact CD1-CD1 3.99Å; L359-F398 HydrophobicContact CD1-CG 3.84Å; I362-F398 HydrophobicContact CD1-CD2 4.49Å; I362-F398 HydrophobicContact CD1-CE2 3.41Å; I362-F398 VanDerWaalsContact CD1-CE2 3.41Å; I362-F398 HydrophobicContact CD1-CZ 3.79Å; F398-H400 HydrophobicContact CE1-CB 4.21Å; F398-L428 HydrophobicContact CB-CD2 3.64Å; F398-L428 HydrophobicContact CD2-CD2 3.79Å; F398-L428 HydrophobicContact CD2-CG 4.04Å; F398-L428 HydrophobicContact CG-CD2 4.18Å; F398-V452 CarbonylContact O-C 3.54Å; F398-V452 WeakPolarHBondContact O-CA 3.5Å; F398-A453 HydrophobicContact CB-CB 4.02Å; F398-A453 HydrophobicContact CD1-CB 4.04Å; F398-A453 PolarHBondContact N-O 3.36Å; F398-A453 PolarHBondContact O-N 2.8Å
399	L	87.2	Confident	82.6	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.9	178.5	-177.5	64.7	0	0	0	110.4	S401 L404 V423 D426 E427 V452	L399-S401 VanDerWaalsContact CD1-O 3.24Å; L399-S401 WeakPolarHBondContact CD1-O 3.3Å; L399-L404 HydrophobicContact CB-CD1 4.37Å; L399-L404 HydrophobicContact CD1-CD1 4.19Å; L399-L404 HydrophobicContact CD1-CD2 4.26Å; L399-L404 HydrophobicContact CD1-CG 3.93Å; L399-L404 HydrophobicContact CD2-CD1 4.46Å; L399-L404 HydrophobicContact CD2-CG 4.02Å; L399-L404 HydrophobicContact CG-CG 4.46Å; L399-V423 HydrophobicContact CB-CG1 4.34Å; L399-V423 HydrophobicContact CD2-CB 4.42Å; L399-V423 HydrophobicContact CD2-CG1 3.94Å; L399-V423 WeakPolarHBondContact CD2-O 3.33Å; L399-D426 PolarHBondContact O-N 2.93Å; L399-E427 PolarHBondContact N-O 2.79Å; L399-V452 HydrophobicContact CD1-CG2 3.92Å
400	H	86.7	Confident	82.2	Confident	42 Å²	42	23.9 Å²	23.9	19%	0.194	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-43.1	176.8	177	61	0	0	0	112.6	V355 F398 I451	V355-H400 HydrophobicContact CG2-CB 3.97Å; F398-H400 HydrophobicContact CE1-CB 4.21Å; H400-I451 PolarHBondContact N-O 3.45Å
401	S	86.3	Confident	81.6	Confident	41 Å²	41	24.7 Å²	24.7	29%	0.287	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.2	177.4	68.5	0	0	0	0	110.9	L399 S450 I451	L399-S401 VanDerWaalsContact CD1-O 3.24Å; L399-S401 WeakPolarHBondContact CD1-O 3.3Å; S401-S450 CarbonylContact O-C 3.45Å; S401-S450 WeakPolarHBondContact O-CA 3.38Å; S401-S450 WeakPolarHBondContact O-CB 3.43Å; S401-I451 PolarHBondContact N-O 2.99Å; S401-I451 PolarHBondContact O-N 2.83Å; S401-I451 WeakPolarHBondContact OG-CB 3.26Å; S401-I451 WeakPolarHBondContact OG-CD1 3.33Å; S401-I451 WeakPolarHBondContact OG-CG1 3.34Å
402	G	88.7	Confident	80.7	Confident	18 Å²	18	28.5 Å²	28.5	19%	0.186	17%	0.165	C	C	.	.	S	Bend	trans	95.3	-155.9	-175.4	0	0	0	0	0	112.9	P425 S450	G402-P425 WeakPolarHBondContact O-CD 3.47Å; G402-P425 WeakPolarHBondContact O-CG 3.27Å; G402-S450 WeakPolarHBondContact CA-OG 3.42Å
403	S	89.8	Confident	79.9	Confident	7 Å²	7	33.2 Å²	33.2	5%	0.049	19%	0.186	C	C	.	.			trans	-149.2	136.4	-179.9	49.8	0	0	0	0	110.8	K447 Q448 S450	S403-K447 PolarHBondContact O-N 3.35Å; S403-Q448 WeakPolarHBondContact OG-CG 3.33Å; S403-Q448 PolarHBondContact OG-OE1 2.8Å; S403-S450 PolarHBondContact N-OG 2.64Å; S403-S450 VanDerWaalsContact N-OG 3.08Å; S403-S450 PolarHBondContact O-OG 3.38Å
404	L	89.2	Confident	79.4	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.9	173.9	-47.5	171.3	0	0	0	109.5	I386 L399 L422 V423 V444 R445 T446 V452	I386-L404 HydrophobicContact CD1-CD1 4.42Å; I386-L404 HydrophobicContact CD1-CD2 3.75Å; L399-L404 HydrophobicContact CB-CD1 4.37Å; L399-L404 HydrophobicContact CD1-CD1 4.19Å; L399-L404 HydrophobicContact CD1-CD2 4.26Å; L399-L404 HydrophobicContact CD1-CG 3.93Å; L399-L404 HydrophobicContact CD2-CD1 4.46Å; L399-L404 HydrophobicContact CD2-CG 4.02Å; L399-L404 HydrophobicContact CG-CG 4.46Å; L404-L422 WeakPolarHBondContact O-CD1 3.46Å; L404-V423 HydrophobicContact CB-CB 3.94Å; L404-V423 HydrophobicContact CB-CG2 4.28Å; L404-V423 PolarHBondContact N-O 3.13Å; L404-V423 PolarHBondContact O-N 3.02Å; L404-V444 HydrophobicContact CB-CG1 4.14Å; L404-V444 HydrophobicContact CD1-CG1 4.07Å; L404-R445 CarbonylContact C-O 3.51Å; L404-R445 WeakPolarHBondContact CA-O 3.37Å; L404-T446 HydrophobicContact CD2-CG2 3.53Å; L404-V452 HydrophobicContact CD1-CG2 4.33Å; L404-V452 HydrophobicContact CD2-CG2 4.29Å
405	E	88	Confident	79.1	Confident	16 Å²	16	37.8 Å²	37.8	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.9	168.9	62.3	-170.1	167.7	0	0	110	L407 R445	E405-L407 HydrophobicContact CB-CD2 4.34Å; E405-L407 HydrophobicContact CG-CD1 4.35Å; E405-L407 HydrophobicContact CG-CD2 4.03Å; E405-L407 HydrophobicContact CG-CG 4.1Å; E405-R445 HydrophobicContact CG-CB 3.98Å; E405-R445 PolarHBondContact N-O 3.5Å; E405-R445 PolarHBondContact O-N 2.71Å; E405-R445 IonicContact OE1-CZ 3.37Å; E405-R445 IonicContact OE1-NE 3.14Å; E405-R445 PolarHBondContact OE1-NE 3.36Å; E405-R445 IonicContact OE1-NH2 3.36Å; E405-R445 PolarHBondContact OE1-NH2 3.34Å
406	V	87.3	Confident	78.5	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.2	174.8	-176.5	0	0	0	0	106.6	V420 E421 V423 V429 Y442 T443	V406-V420 PolarHBondContact O-N 3.45Å; V406-E421 HydrophobicContact CB-CB 3.88Å; V406-E421 HydrophobicContact CG2-CB 4.18Å; V406-E421 PolarHBondContact O-N 2.92Å; V406-V423 HydrophobicContact CG2-CG2 3.67Å; V406-V429 HydrophobicContact CG2-CG1 4.43Å; V406-Y442 HydrophobicContact CG1-CD1 3.85Å; V406-Y442 HydrophobicContact CG1-CD2 4.16Å; V406-Y442 HydrophobicContact CG1-CG 3.54Å; V406-T443 WeakPolarHBondContact CA-O 3.29Å
407	L	88.2	Confident	78.2	Confident	24 Å²	24	44.4 Å²	44.4	13%	0.126	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.6	-176.2	-54.3	176.8	0	0	0	109	E405 A417 A418 R419 T443 R445	E405-L407 HydrophobicContact CB-CD2 4.34Å; E405-L407 HydrophobicContact CG-CD1 4.35Å; E405-L407 HydrophobicContact CG-CD2 4.03Å; E405-L407 HydrophobicContact CG-CG 4.1Å; L407-A417 HydrophobicContact CB-CB 4.01Å; L407-A418 WeakPolarHBondContact CA-O 3.33Å; L407-R419 HydrophobicContact CD2-CB 3.83Å; L407-R419 HydrophobicContact CD2-CG 4.14Å; L407-T443 PolarHBondContact N-O 3.18Å; L407-T443 PolarHBondContact O-N 3.39Å; L407-R445 HydrophobicContact CD1-CB 4.43Å
408	K	87.1	Confident	78	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.1	170.2	-174.6	67.3	-176.2	77.7	0	108.7	H266 E389 S410 A417 A418 V420 F441 Y442	H266-K408 VanDerWaalsContact CE1-CE 3.43Å; H266-K408 WeakPolarHBondContact CE1-CE 3.32Å; H266-K408 PolarHBondContact CE1-NZ 3.39Å; H266-K408 VanDerWaalsContact NE2-CE 3.3Å; H266-K408 WeakPolarHBondContact NE2-CE 3.41Å; H266-K408 VanDerWaalsContact NE2-CG 3.27Å; H266-K408 WeakPolarHBondContact NE2-CG 3.12Å; H266-K408 PolarHBondContact NE2-NZ 3.25Å; E389-K408 VanDerWaalsContact CD-NZ 3.33Å; E389-K408 WeakPolarHBondContact OE1-CE 3.36Å; E389-K408 IonicContact OE1-NZ 2.69Å; E389-K408 PolarHBondContact OE1-NZ 2.9Å; E389-K408 IonicContact OE2-NZ 3.08Å; E389-K408 PolarHBondContact OE2-NZ 3.16Å; K408-S410 PolarHBondContact O-N 3.36Å; K408-A417 CarbonylContact O-C 3.56Å; K408-A417 WeakPolarHBondContact O-CA 3.19Å; K408-A418 PolarHBondContact N-O 3.15Å; K408-A418 PolarHBondContact O-N 3.39Å; K408-V420 HydrophobicContact CB-CG2 3.49Å; K408-V420 VanDerWaalsContact CB-CG2 3.49Å; K408-F441 HydrophobicContact CD-CD1 4.17Å; K408-F441 HydrophobicContact CD-CE1 3.9Å; K408-F441 HydrophobicContact CD-CZ 4.47Å; K408-F441 VanDerWaalsContact CD-O 3.28Å; K408-F441 WeakPolarHBondContact CD-O 3.35Å; K408-Y442 HydrophobicContact CB-CD1 4.15Å; K408-Y442 HydrophobicContact CB-CE1 4.49Å; K408-Y442 HydrophobicContact CD-CD1 4.07Å; K408-Y442 HydrophobicContact CD-CE1 4.39Å
409	S	81.9	Confident	77.7	Confident	41 Å²	41	50.9 Å²	50.9	29%	0.287	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	127.9	171.2	47.3	0	0	0	0	110.5	H266 E389	H266-S409 PolarHBondContact NE2-O 3.46Å; E389-S409 PolarHBondContact OE1-OG 2.91Å; E389-S409 PolarHBondContact OE2-N 3.08Å; E389-S409 PolarHBondContact OE2-OG 3.28Å
410	S	73.3	Confident	77.4	Confident	32 Å²	32	51.6 Å²	51.6	22%	0.224	30%	0.302	C	S	.	.			trans	-67.9	149.2	165.2	-171.8	0	0	0	0	109	K408 D412 M416	K408-S410 PolarHBondContact O-N 3.36Å; S410-D412 VanDerWaalsContact C-N 3.28Å; S410-D412 PolarHBondContact OG-N 2.94Å; S410-D412 PolarHBondContact OG-OD2 3.18Å; S410-M416 WeakPolarHBondContact CB-O 3.49Å; S410-M416 PolarHBondContact N-O 2.97Å
411	I	65.3	Low	77.1	Confident	65 Å²	65	51.5 Å²	51.5	33%	0.333	30%	0.302	S	S	.	.	S	Bend	trans	-74.8	-25.8	174.5	-56.4	177.4	0	0	0	110.5	H266 E413	H266-I411 WeakPolarHBondContact O-CD1 3Å; I411-E413 PolarHBondContact O-N 2.9Å
412	D	61.1	Low	77.1	Confident	113 Å²	113	51.9 Å²	51.9	60%	0.604	30%	0.3	S	S	*	.	S	Bend	trans	-59	131.9	177.2	-60.4	-36.3	0	0	0	110.5	S410 S414 G415	S410-D412 VanDerWaalsContact C-N 3.28Å; S410-D412 PolarHBondContact OG-N 2.94Å; S410-D412 PolarHBondContact OG-OD2 3.18Å; D412-S414 PolarHBondContact O-N 3.33Å; D412-S414 PolarHBondContact O-OG 3.46Å; D412-G415 PolarHBondContact O-N 3.44Å
413	E	54.6	Low	76.9	Confident	191 Å²	191	51 Å²	51	89%	0.893	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-11.4	-175.5	-66	-167.1	170	0	0	115.7	I411 G415	I411-E413 PolarHBondContact O-N 2.9Å; E413-G415 PolarHBondContact O-N 3.16Å
414	S	54	Low	76.8	Confident	75 Å²	75	55.2 Å²	55.2	52%	0.524	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-29.3	164.1	70.3	0	0	0	0	115.3	D412 M416	D412-S414 PolarHBondContact O-N 3.33Å; D412-S414 PolarHBondContact O-OG 3.46Å; S414-M416 PolarHBondContact O-N 3.18Å; S414-M416 VanDerWaalsContact O-N 3.11Å; S414-M416 PolarHBondContact OG-N 3.15Å
415	G	59.2	Low	76.5	Confident	64 Å²	64	57.7 Å²	57.7	66%	0.66	33%	0.328	S	S	*	.			trans	65	6.2	-171.3	0	0	0	0	0	114.1	D412 E413	D412-G415 PolarHBondContact O-N 3.44Å; E413-G415 PolarHBondContact O-N 3.16Å
416	M	69.7	Low	76.2	Confident	136 Å²	136	60.5 Å²	60.5	67%	0.67	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-72.5	132.1	-175.6	-69.2	-70.7	-89.6	0	0	110.1	S410 S414	S410-M416 WeakPolarHBondContact CB-O 3.49Å; S410-M416 PolarHBondContact N-O 2.97Å; S414-M416 PolarHBondContact O-N 3.18Å; S414-M416 VanDerWaalsContact O-N 3.11Å; S414-M416 PolarHBondContact OG-N 3.15Å
417	A	74.6	Confident	75.8	Confident	54 Å²	54	61.5 Å²	61.5	45%	0.446	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.6	174.5	0	0	0	0	0	110.1	L407 K408	L407-A417 HydrophobicContact CB-CB 4.01Å; K408-A417 CarbonylContact O-C 3.56Å; K408-A417 WeakPolarHBondContact O-CA 3.19Å
418	A	80.1	Confident	75.5	Confident	26 Å²	26	62 Å²	62	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	134.2	173.4	0	0	0	0	0	109.9	T273 L407 K408 V420	T273-A418 HydrophobicContact CG2-CB 4.35Å; L407-A418 WeakPolarHBondContact CA-O 3.33Å; K408-A418 PolarHBondContact N-O 3.15Å; K408-A418 PolarHBondContact O-N 3.39Å; A418-V420 PolarHBondContact O-N 3.37Å
419	R	79.4	Confident	75.1	Confident	115 Å²	115	62.8 Å²	62.8	43%	0.434	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	111.3	174.5	-179.7	171.5	163.9	-146.9	-5.3	109.7	L407 E421 L422	L407-R419 HydrophobicContact CD2-CB 3.83Å; L407-R419 HydrophobicContact CD2-CG 4.14Å; R419-E421 VanDerWaalsContact CG-O 3.25Å; R419-E421 WeakPolarHBondContact CG-O 3.3Å; R419-E421 PolarHBondContact NE-O 3.03Å; R419-L422 VanDerWaalsContact NH2-CD1 3.3Å
420	V	81	Confident	74.8	Confident	15 Å²	15	61.6 Å²	61.6	9%	0.091	35%	0.349	C	S	.	.			trans	-83.5	-35.7	-180	-174	0	0	0	0	110.3	M276 V406 K408 A418 Y442	M276-V420 HydrophobicContact CB-CG1 3.92Å; M276-V420 HydrophobicContact CG-CG1 3.33Å; V406-V420 PolarHBondContact O-N 3.45Å; K408-V420 HydrophobicContact CB-CG2 3.49Å; K408-V420 VanDerWaalsContact CB-CG2 3.49Å; A418-V420 PolarHBondContact O-N 3.37Å; V420-Y442 HydrophobicContact CG1-CE1 4.42Å; V420-Y442 HydrophobicContact CG2-CE1 4.39Å
421	E	80.8	Confident	74.9	Confident	41 Å²	41	60.5 Å²	60.5	19%	0.192	34%	0.343	C	S	.	.			trans	-143.7	173.7	-170.3	-152.3	169	-171.1	0	0	114.3	M276 V406 R419 R480	M276-E421 WeakPolarHBondContact CE-OE2 3.48Å; V406-E421 HydrophobicContact CB-CB 3.88Å; V406-E421 HydrophobicContact CG2-CB 4.18Å; V406-E421 PolarHBondContact O-N 2.92Å; R419-E421 VanDerWaalsContact CG-O 3.25Å; R419-E421 WeakPolarHBondContact CG-O 3.3Å; R419-E421 PolarHBondContact NE-O 3.03Å; E421-R480 WeakPolarHBondContact OE1-CD 3.44Å; E421-R480 IonicContact OE1-CZ 3.95Å; E421-R480 IonicContact OE1-NE 3.57Å; E421-R480 IonicContact OE1-NH1 3.39Å; E421-R480 PolarHBondContact OE1-NH1 2.97Å
422	L	85.5	Confident	75.5	Confident	48 Å²	48	58.4 Å²	58.4	25%	0.251	33%	0.332	S	S	.	.			trans	-130.8	126.5	153.9	-164.6	61	0	0	0	108.6	L404 R419 M424 K447	L404-L422 WeakPolarHBondContact O-CD1 3.46Å; R419-L422 VanDerWaalsContact NH2-CD1 3.3Å; L422-M424 HydrophobicContact CD2-SD 3.64Å; L422-M424 HydrophobicContact CG-SD 3.99Å; L422-K447 HydrophobicContact CD1-CD 4.2Å
423	V	84.5	Confident	76.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-92.2	120.4	176	-176.3	0	0	0	0	107.5	L399 L404 V406 E427 V429	L399-V423 HydrophobicContact CB-CG1 4.34Å; L399-V423 HydrophobicContact CD2-CB 4.42Å; L399-V423 HydrophobicContact CD2-CG1 3.94Å; L399-V423 WeakPolarHBondContact CD2-O 3.33Å; L404-V423 HydrophobicContact CB-CB 3.94Å; L404-V423 HydrophobicContact CB-CG2 4.28Å; L404-V423 PolarHBondContact N-O 3.13Å; L404-V423 PolarHBondContact O-N 3.02Å; V406-V423 HydrophobicContact CG2-CG2 3.67Å; V423-E427 WeakPolarHBondContact CA-OE2 3.22Å; V423-E427 HydrophobicContact CG1-CB 3.7Å; V423-V429 HydrophobicContact CB-CG2 4.13Å; V423-V429 HydrophobicContact CG1-CG2 3.56Å; V423-V429 HydrophobicContact CG2-CG2 3.51Å
424	M	87.2	Confident	77.4	Confident	94 Å²	94	44.6 Å²	44.6	46%	0.463	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-94.5	161.4	177.9	-60.9	-55.4	-63.4	0	0	110.6	L422 E427	L422-M424 HydrophobicContact CD2-SD 3.64Å; L422-M424 HydrophobicContact CG-SD 3.99Å; M424-E427 PolarHBondContact N-OE2 3.49Å; M424-E427 WeakPolarHBondContact O-CB 3.47Å; M424-E427 WeakPolarHBondContact O-CG 3.34Å; M424-E427 PolarHBondContact O-N 3.39Å
425	P	84.8	Confident	78.5	Confident	53 Å²	53	41.8 Å²	41.8	34%	0.344	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	147.8	173.1	-26.8	35.5	0	0	0	112.4	G402	G402-P425 WeakPolarHBondContact O-CD 3.47Å; G402-P425 WeakPolarHBondContact O-CG 3.27Å
426	D	80.4	Confident	79.3	Confident	74 Å²	74	39 Å²	39	40%	0.396	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	27.4	-174.7	-56.1	-37.6	0	0	0	114.8	I362 L399	I362-D426 HydrophobicContact CD1-CB 4.11Å; L399-D426 PolarHBondContact O-N 2.93Å
427	E	80.2	Confident	79.5	Confident	28 Å²	28	35 Å²	35	13%	0.131	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	154.3	176.6	-58.8	-171.9	146.8	0	0	112.9	L399 V423 M424 R480	L399-E427 PolarHBondContact N-O 2.79Å; V423-E427 WeakPolarHBondContact CA-OE2 3.22Å; V423-E427 HydrophobicContact CG1-CB 3.7Å; M424-E427 PolarHBondContact N-OE2 3.49Å; M424-E427 WeakPolarHBondContact O-CB 3.47Å; M424-E427 WeakPolarHBondContact O-CG 3.34Å; M424-E427 PolarHBondContact O-N 3.39Å; E427-R480 IonicContact OE1-CZ 3.11Å; E427-R480 IonicContact OE1-NH1 2.69Å; E427-R480 PolarHBondContact OE1-NH1 2.89Å; E427-R480 IonicContact OE1-NH2 3.96Å; E427-R480 PolarHBondContact OE1-NH2 3.42Å; E427-R480 IonicContact OE2-CZ 3.56Å; E427-R480 IonicContact OE2-NH1 3.29Å; E427-R480 PolarHBondContact OE2-NH1 3.14Å; E427-R480 IonicContact OE2-NH2 2.67Å; E427-R480 PolarHBondContact OE2-NH2 3.38Å; E427-R480 VanDerWaalsContact OE2-NH2 3.08Å
428	L	79.9	Confident	79.7	Confident	34 Å²	34	32.6 Å²	32.6	18%	0.178	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.2	-177.8	-71.2	157.9	0	0	0	111.4	I362 L396 L397 F398 L475	I362-L428 HydrophobicContact CG2-CD1 4.2Å; L396-L428 HydrophobicContact CD1-CB 4.45Å; L396-L428 HydrophobicContact CD1-CD2 4.2Å; L396-L428 HydrophobicContact CD2-CD2 4.25Å; L396-L428 HydrophobicContact CG-CD2 4.09Å; L397-L428 CarbonylContact O-C 3.51Å; L397-L428 VanDerWaalsContact O-CA 3.32Å; L397-L428 WeakPolarHBondContact O-CA 3.34Å; F398-L428 HydrophobicContact CB-CD2 3.64Å; F398-L428 HydrophobicContact CD2-CD2 3.79Å; F398-L428 HydrophobicContact CD2-CG 4.04Å; F398-L428 HydrophobicContact CG-CD2 4.18Å; L428-L475 HydrophobicContact CD1-CB 3.76Å; L428-L475 HydrophobicContact CD1-CD1 3.78Å; L428-L475 HydrophobicContact CD1-CD2 3.27Å; L428-L475 HydrophobicContact CD1-CG 3.74Å
429	V	79.4	Confident	79.7	Confident	19 Å²	19	33.1 Å²	33.1	12%	0.115	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.1	-179.4	-173.6	0	0	0	0	109	L397 V406 V423 G431 V444	L397-V429 HydrophobicContact CB-CB 4.3Å; L397-V429 PolarHBondContact N-O 3.19Å; L397-V429 PolarHBondContact O-N 3.4Å; V406-V429 HydrophobicContact CG2-CG1 4.43Å; V423-V429 HydrophobicContact CB-CG2 4.13Å; V423-V429 HydrophobicContact CG1-CG2 3.56Å; V423-V429 HydrophobicContact CG2-CG2 3.51Å; V429-G431 VanDerWaalsContact C-N 3.33Å; V429-G431 PolarHBondContact O-N 2.87Å; V429-V444 HydrophobicContact CG1-CG1 4.38Å; V429-V444 HydrophobicContact CG1-CG2 3.71Å
430	G	77	Confident	79.8	Confident	16 Å²	16	27.9 Å²	27.9	17%	0.165	16%	0.158	C	C	.	.	S	Bend	trans	83.3	2.2	177.3	0	0	0	0	0	114.8	L432 S433 A434	G430-L432 VanDerWaalsContact C-N 3.25Å; G430-L432 PolarHBondContact O-N 3.47Å; G430-S433 PolarHBondContact O-N 2.92Å; G430-S433 PolarHBondContact O-OG 2.98Å; G430-A434 VanDerWaalsContact O-CB 3.25Å; G430-A434 WeakPolarHBondContact O-CB 3.36Å; G430-A434 PolarHBondContact O-N 3.02Å
431	G	75	Confident	79.9	Confident	8 Å²	8	28.6 Å²	28.6	8%	0.082	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-23	-178.3	0	0	0	0	0	114.7	V429 L435	V429-G431 VanDerWaalsContact C-N 3.33Å; V429-G431 PolarHBondContact O-N 2.87Å; G431-L435 VanDerWaalsContact O-CB 3.25Å; G431-L435 WeakPolarHBondContact O-CB 3.49Å; G431-L435 WeakPolarHBondContact O-CD1 2.89Å; G431-L435 VanDerWaalsContact O-CG 3.23Å; G431-L435 WeakPolarHBondContact O-CG 3.25Å; G431-L435 PolarHBondContact O-N 3.21Å
432	L	77.7	Confident	80.2	Confident	22 Å²	22	28.3 Å²	28.3	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-60	171.2	-88.1	175.6	0	0	0	110.9	L254 Q258 L262 G430 A434 L435 T436 V476 F478 F481	L254-L432 HydrophobicContact CD2-CD2 4.18Å; Q258-L432 PolarHBondContact OE1-O 3.04Å; L262-L432 HydrophobicContact CD1-CD1 4.08Å; G430-L432 VanDerWaalsContact C-N 3.25Å; G430-L432 PolarHBondContact O-N 3.47Å; L432-A434 VanDerWaalsContact C-N 3.29Å; L432-A434 PolarHBondContact O-N 3.17Å; L432-L435 PolarHBondContact O-N 2.95Å; L432-L435 VanDerWaalsContact O-N 3.15Å; L432-T436 WeakPolarHBondContact O-CG2 3.49Å; L432-T436 PolarHBondContact O-N 2.67Å; L432-T436 PolarHBondContact O-OG1 3.01Å; L432-V476 HydrophobicContact CG-CG1 4.06Å; L432-F478 HydrophobicContact CD1-CE1 4.47Å; L432-F478 HydrophobicContact CD2-CE1 3.62Å; L432-F478 HydrophobicContact CD2-CZ 3.76Å; L432-F478 HydrophobicContact CG-CE1 4.18Å; L432-F478 HydrophobicContact CG-CZ 4.44Å; L432-F481 HydrophobicContact CD1-CE2 4.43Å; L432-F481 HydrophobicContact CD1-CZ 4.13Å
433	S	78.9	Confident	80.3	Confident	4 Å²	4	27.1 Å²	27.1	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-38.1	178.9	45.7	0	0	0	0	112.2	G430 L435 N437 E438 S440	G430-S433 PolarHBondContact O-N 2.92Å; G430-S433 PolarHBondContact O-OG 2.98Å; S433-L435 VanDerWaalsContact C-N 3.31Å; S433-L435 PolarHBondContact O-N 3.23Å; S433-N437 WeakPolarHBondContact O-CA 3.48Å; S433-N437 PolarHBondContact O-N 3.24Å; S433-E438 WeakPolarHBondContact CB-O 3.42Å; S433-S440 PolarHBondContact OG-OG 2.83Å
434	A	77	Confident	80.5	Confident	10 Å²	10	27.2 Å²	27.2	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-31.7	177.6	0	0	0	0	0	113.8	C394 L396 G430 L432 L460	C394-A434 VanDerWaalsContact O-CA 3.26Å; C394-A434 WeakPolarHBondContact O-CA 3.46Å; C394-A434 WeakPolarHBondContact O-CB 3.46Å; L396-A434 HydrophobicContact CB-CB 4.26Å; G430-A434 VanDerWaalsContact O-CB 3.25Å; G430-A434 WeakPolarHBondContact O-CB 3.36Å; G430-A434 PolarHBondContact O-N 3.02Å; L432-A434 VanDerWaalsContact C-N 3.29Å; L432-A434 PolarHBondContact O-N 3.17Å; A434-L460 HydrophobicContact CB-CD2 3.53Å
435	L	75.9	Confident	80.6	Confident	15 Å²	15	26.7 Å²	26.7	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-87.3	-39.7	-178.5	-82.1	174.8	0	0	0	114	L254 G431 L432 S433 V464 L473 V476	L254-L435 HydrophobicContact CD1-CB 3.99Å; L254-L435 HydrophobicContact CD1-CD1 3.58Å; L254-L435 HydrophobicContact CD1-CG 4.39Å; G431-L435 VanDerWaalsContact O-CB 3.25Å; G431-L435 WeakPolarHBondContact O-CB 3.49Å; G431-L435 WeakPolarHBondContact O-CD1 2.89Å; G431-L435 VanDerWaalsContact O-CG 3.23Å; G431-L435 WeakPolarHBondContact O-CG 3.25Å; G431-L435 PolarHBondContact O-N 3.21Å; L432-L435 PolarHBondContact O-N 2.95Å; L432-L435 VanDerWaalsContact O-N 3.15Å; S433-L435 VanDerWaalsContact C-N 3.31Å; S433-L435 PolarHBondContact O-N 3.23Å; L435-V464 HydrophobicContact CD2-CG2 4.4Å; L435-L473 HydrophobicContact CD1-CB 4.13Å; L435-L473 HydrophobicContact CD1-CD2 4.25Å; L435-L473 HydrophobicContact CD2-CB 4.05Å; L435-L473 HydrophobicContact CD2-CD1 3.76Å; L435-L473 HydrophobicContact CD2-CD2 3.32Å; L435-L473 HydrophobicContact CD2-CG 3.86Å; L435-L473 HydrophobicContact CG-CD2 3.97Å; L435-V476 HydrophobicContact CD1-CG2 4.08Å
436	T	75.8	Confident	80.9	Confident	6 Å²	6	24.2 Å²	24.2	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-85.6	-20.3	-179.1	59.3	0	0	0	0	111.9	L254 L255 Q258 L432 E438	L254-T436 HydrophobicContact CB-CG2 3.63Å; L255-T436 HydrophobicContact CD2-CG2 4.13Å; L255-T436 HydrophobicContact CG-CG2 4.02Å; Q258-T436 PolarHBondContact OE1-OG1 3.37Å; L432-T436 WeakPolarHBondContact O-CG2 3.49Å; L432-T436 PolarHBondContact O-N 2.67Å; L432-T436 PolarHBondContact O-OG1 3.01Å; T436-E438 PolarHBondContact O-N 3.3Å; T436-E438 WeakPolarHBondContact OG1-CB 3.28Å; T436-E438 PolarHBondContact OG1-N 2.71Å
437	N	74.3	Confident	81.3	Confident	51 Å²	51	25.2 Å²	25.2	27%	0.273	13%	0.131	S	C	.	.			trans	59.9	30.1	-171.3	-157.7	33.8	0	0	0	112.8	C394 S433 R681	C394-N437 PolarHBondContact SG-OD1 3.37Å; C394-N437 VanDerWaalsContact SG-OD1 3.38Å; S433-N437 WeakPolarHBondContact O-CA 3.48Å; S433-N437 PolarHBondContact O-N 3.24Å; N437-R681 PolarHBondContact ND2-NH1 3.38Å; N437-R681 VanDerWaalsContact ND2-NH1 3.14Å; N437-R681 WeakPolarHBondContact O-CD 3.13Å
438	E	78.4	Confident	81.8	Confident	5 Å²	5	29 Å²	29	2%	0.023	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-101.4	157.2	177.7	-68.4	-61.6	125.7	0	0	111	L255 Q258 R259 S433 T436 S440 N677	L255-E438 HydrophobicContact CD2-CG 3.52Å; Q258-E438 HydrophobicContact CG-CB 4.48Å; R259-E438 IonicContact CZ-OE1 3.84Å; R259-E438 IonicContact CZ-OE2 3.36Å; R259-E438 VanDerWaalsContact CZ-OE2 3.26Å; R259-E438 VanDerWaalsContact NE-CD 3.26Å; R259-E438 IonicContact NE-OE1 3.38Å; R259-E438 IonicContact NE-OE2 3.93Å; R259-E438 PolarHBondContact NE-OE2 2.73Å; R259-E438 IonicContact NH2-OE1 3.8Å; R259-E438 PolarHBondContact NH2-OE1 2.79Å; R259-E438 IonicContact NH2-OE2 3.04Å; R259-E438 PolarHBondContact NH2-OE2 3.18Å; S433-E438 WeakPolarHBondContact CB-O 3.42Å; T436-E438 PolarHBondContact O-N 3.3Å; T436-E438 WeakPolarHBondContact OG1-CB 3.28Å; T436-E438 PolarHBondContact OG1-N 2.71Å; E438-S440 PolarHBondContact O-N 2.65Å; E438-N677 PolarHBondContact OE1-ND2 2.9Å; E438-N677 PolarHBondContact OE1-OD1 2.79Å; E438-N677 VanDerWaalsContact OE1-OD1 3.11Å
439	P	80.3	Confident	82.2	Confident	36 Å²	36	33.9 Å²	33.9	23%	0.234	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-46.7	141.3	174.6	6	-18.7	0	0	0	112.9	Q258 M392 F441	Q258-P439 PolarHBondContact NE2-O 3.41Å; M392-P439 VanDerWaalsContact CE-CA 3.47Å; M392-P439 HydrophobicContact CE-CB 3.3Å; M392-P439 HydrophobicContact CE-CG 3.71Å; P439-F441 PolarHBondContact O-N 2.75Å
440	S	82.1	Confident	82.8	Confident	6 Å²	6	33 Å²	33	4%	0.042	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-63	120	172.3	-72.1	0	0	0	0	110.1	I387 E389 G390 S391 S393 S433 E438 Y442	I387-S440 WeakPolarHBondContact CG2-OG 3.24Å; E389-S440 WeakPolarHBondContact CA-O 3.41Å; G390-S440 PolarHBondContact N-O 3.39Å; S391-S440 PolarHBondContact O-N 2.92Å; S391-S440 VanDerWaalsContact O-N 3.11Å; S393-S440 PolarHBondContact O-OG 2.91Å; S433-S440 PolarHBondContact OG-OG 2.83Å; E438-S440 PolarHBondContact O-N 2.65Å; S440-Y442 PolarHBondContact O-N 3.25Å
441	F	82.3	Confident	83.3	Confident	30 Å²	30	34.1 Å²	34.1	13%	0.132	17%	0.167	C	C	.	.	S	Bend	trans	-73.1	-17.2	-179.5	-173.2	-95.7	0	0	0	113.3	L262 P263 H266 L275 K408 P439	L262-F441 HydrophobicContact CB-CE1 4.49Å; L262-F441 HydrophobicContact CB-CE2 4.26Å; L262-F441 HydrophobicContact CB-CZ 4.19Å; P263-F441 HydrophobicContact CB-CE2 4.46Å; P263-F441 HydrophobicContact CG-CE2 4.11Å; H266-F441 HydrophobicContact CB-CE1 4.46Å; H266-F441 HydrophobicContact CB-CZ 3.63Å; H266-F441 AromaticContact CG-CZ 3.91Å; L275-F441 HydrophobicContact CD1-CE1 4.31Å; K408-F441 HydrophobicContact CD-CD1 4.17Å; K408-F441 HydrophobicContact CD-CE1 3.9Å; K408-F441 HydrophobicContact CD-CZ 4.47Å; K408-F441 VanDerWaalsContact CD-O 3.28Å; K408-F441 WeakPolarHBondContact CD-O 3.35Å; P439-F441 PolarHBondContact O-N 2.75Å
442	Y	87	Confident	83.8	Confident	34 Å²	34	33.7 Å²	33.7	13%	0.133	16%	0.163	C	C	.	.	S	Bend	trans	-125.2	153.9	-177.3	-55.7	-77.4	0	0	0	111.4	V406 K408 V420 S440	V406-Y442 HydrophobicContact CG1-CD1 3.85Å; V406-Y442 HydrophobicContact CG1-CD2 4.16Å; V406-Y442 HydrophobicContact CG1-CG 3.54Å; K408-Y442 HydrophobicContact CB-CD1 4.15Å; K408-Y442 HydrophobicContact CB-CE1 4.49Å; K408-Y442 HydrophobicContact CD-CD1 4.07Å; K408-Y442 HydrophobicContact CD-CE1 4.39Å; V420-Y442 HydrophobicContact CG1-CE1 4.42Å; V420-Y442 HydrophobicContact CG2-CE1 4.39Å; S440-Y442 PolarHBondContact O-N 3.25Å
443	T	87.5	Confident	84.2	Confident	23 Å²	23	32.7 Å²	32.7	14%	0.141	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.6	167.9	-63.3	0	0	0	0	109.4	L385 I387 E389 V406 L407	L385-T443 HydrophobicContact CD1-CG2 3.57Å; L385-T443 HydrophobicContact CG-CG2 4.32Å; I387-T443 CarbonylContact O-C 3.52Å; I387-T443 WeakPolarHBondContact O-CA 3.39Å; I387-T443 WeakPolarHBondContact O-CG2 3.15Å; E389-T443 VanDerWaalsContact CB-OG1 3.3Å; E389-T443 WeakPolarHBondContact CB-OG1 3.38Å; E389-T443 PolarHBondContact N-OG1 3.09Å; V406-T443 WeakPolarHBondContact CA-O 3.29Å; L407-T443 PolarHBondContact N-O 3.18Å; L407-T443 PolarHBondContact O-N 3.39Å
444	V	88.9	Confident	84.5	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.024	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.3	179.8	-175.5	0	0	0	0	109.4	I386 I387 L397 L404 V429	I386-V444 PolarHBondContact N-O 3.03Å; I387-V444 HydrophobicContact CB-CB 4.09Å; I387-V444 HydrophobicContact CB-CG2 4.11Å; I387-V444 HydrophobicContact CD1-CG2 4.38Å; I387-V444 PolarHBondContact N-O 3.28Å; I387-V444 PolarHBondContact O-N 3.11Å; L397-V444 HydrophobicContact CD1-CG1 4.44Å; L404-V444 HydrophobicContact CB-CG1 4.14Å; L404-V444 HydrophobicContact CD1-CG1 4.07Å; V429-V444 HydrophobicContact CG1-CG1 4.38Å; V429-V444 HydrophobicContact CG1-CG2 3.71Å
445	R	90.6	Very high	84.7	Confident	83 Å²	83	32.6 Å²	32.6	31%	0.313	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.3	178.6	-166.2	178.9	79.7	160.9	-1.4	110.9	N383 H384 L404 E405 L407	N383-R445 PolarHBondContact OD1-NH2 3.47Å; H384-R445 CarbonylContact O-C 3.59Å; H384-R445 WeakPolarHBondContact O-CA 3.21Å; H384-R445 WeakPolarHBondContact O-CG 3.43Å; L404-R445 CarbonylContact C-O 3.51Å; L404-R445 WeakPolarHBondContact CA-O 3.37Å; E405-R445 HydrophobicContact CG-CB 3.98Å; E405-R445 PolarHBondContact N-O 3.5Å; E405-R445 PolarHBondContact O-N 2.71Å; E405-R445 IonicContact OE1-CZ 3.37Å; E405-R445 IonicContact OE1-NE 3.14Å; E405-R445 PolarHBondContact OE1-NE 3.36Å; E405-R445 IonicContact OE1-NH2 3.36Å; E405-R445 PolarHBondContact OE1-NH2 3.34Å; L407-R445 HydrophobicContact CD1-CB 4.43Å
446	T	91.4	Very high	84.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.4	168.4	55.8	0	0	0	0	110.6	Y380 P381 N383 H384 I386 L404	Y380-T446 HydrophobicContact CG-CG2 4.43Å; P381-T446 WeakPolarHBondContact O-CB 3.19Å; P381-T446 PolarHBondContact O-OG1 2.83Å; N383-T446 WeakPolarHBondContact CA-O 3.25Å; N383-T446 PolarHBondContact N-O 3.41Å; N383-T446 PolarHBondContact N-OG1 3.38Å; H384-T446 PolarHBondContact N-OG1 3.11Å; H384-T446 PolarHBondContact O-N 2.88Å; H384-T446 PolarHBondContact O-OG1 2.96Å; I386-T446 HydrophobicContact CD1-CG2 3.85Å; I386-T446 HydrophobicContact CG1-CG2 4.24Å; L404-T446 HydrophobicContact CD2-CG2 3.53Å
447	K	87.7	Confident	84.8	Confident	95 Å²	95	35.3 Å²	35.3	41%	0.413	17%	0.171	S	C	.	.	S	Bend	trans	-90.9	-39.6	170.6	-178.6	179.2	179.3	-179.7	0	111.2	P382 S403 L422	P382-K447 WeakPolarHBondContact CB-O 3.17Å; S403-K447 PolarHBondContact O-N 3.35Å; L422-K447 HydrophobicContact CD1-CD 4.2Å
448	Q	90.2	Very high	84.7	Confident	109 Å²	109	37.3 Å²	37.3	51%	0.509	18%	0.182	S	C	.	.	S	Bend	trans	-119.6	166.7	177.6	-69.6	172.8	-28.8	0	0	109.6	S403 S450	S403-Q448 WeakPolarHBondContact OG-CG 3.33Å; S403-Q448 PolarHBondContact OG-OE1 2.8Å; Q448-S450 PolarHBondContact O-N 2.64Å; Q448-S450 PolarHBondContact O-OG 3.12Å
449	Q	89.4	Confident	84.6	Confident	136 Å²	136	38.7 Å²	38.7	64%	0.636	19%	0.19	S	C	*	.			trans	-55.1	118.6	166.9	-174.9	176.6	3	0	0	108.5	Y380	Y380-Q449 WeakPolarHBondContact O-CA 3.45Å
450	S	90.5	Very high	84.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.8	-167.3	-59.6	0	0	0	0	110.8	Y380 S401 G402 S403 Q448	Y380-S450 PolarHBondContact N-O 3.47Å; Y380-S450 PolarHBondContact O-N 3.42Å; S401-S450 CarbonylContact O-C 3.45Å; S401-S450 WeakPolarHBondContact O-CA 3.38Å; S401-S450 WeakPolarHBondContact O-CB 3.43Å; G402-S450 WeakPolarHBondContact CA-OG 3.42Å; S403-S450 PolarHBondContact N-OG 2.64Å; S403-S450 VanDerWaalsContact N-OG 3.08Å; S403-S450 PolarHBondContact O-OG 3.38Å; Q448-S450 PolarHBondContact O-N 2.64Å; Q448-S450 PolarHBondContact O-OG 3.12Å
451	I	88.8	Confident	83.5	Confident	39 Å²	39	43.6 Å²	43.6	20%	0.2	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.6	173.4	-57.5	177.4	0	0	0	107.4	L351 H400 S401	L351-I451 HydrophobicContact CD2-CD1 4.14Å; L351-I451 HydrophobicContact CD2-CG2 4.33Å; H400-I451 PolarHBondContact N-O 3.45Å; S401-I451 PolarHBondContact N-O 2.99Å; S401-I451 PolarHBondContact O-N 2.83Å; S401-I451 WeakPolarHBondContact OG-CB 3.26Å; S401-I451 WeakPolarHBondContact OG-CD1 3.33Å; S401-I451 WeakPolarHBondContact OG-CG1 3.34Å
452	V	86.1	Confident	82.9	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.9	-176.2	-176.5	0	0	0	0	109.3	K378 Y380 I386 L397 F398 L399 L404 I454	K378-V452 PolarHBondContact N-O 2.83Å; K378-V452 PolarHBondContact O-N 2.81Å; Y380-V452 HydrophobicContact CD2-CB 4.27Å; Y380-V452 HydrophobicContact CD2-CG2 4.15Å; Y380-V452 HydrophobicContact CE2-CB 4.28Å; I386-V452 HydrophobicContact CD1-CG2 4.13Å; L397-V452 HydrophobicContact CB-CG1 3.87Å; L397-V452 HydrophobicContact CD2-CG1 3.97Å; L397-V452 HydrophobicContact CG-CG1 4.41Å; F398-V452 CarbonylContact O-C 3.54Å; F398-V452 WeakPolarHBondContact O-CA 3.5Å; L399-V452 HydrophobicContact CD1-CG2 3.92Å; L404-V452 HydrophobicContact CD1-CG2 4.33Å; L404-V452 HydrophobicContact CD2-CG2 4.29Å; V452-I454 HydrophobicContact CG1-CG1 4.29Å
453	A	85	Confident	81.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.1	169.2	0	0	0	0	0	109.1	V355 I375 T376 L377 F398	V355-A453 HydrophobicContact CG1-CB 3.76Å; I375-A453 HydrophobicContact CG2-CB 3.69Å; T376-A453 CarbonylContact O-C 3.55Å; T376-A453 WeakPolarHBondContact O-CA 3.4Å; L377-A453 HydrophobicContact CD2-CB 3.62Å; F398-A453 HydrophobicContact CB-CB 4.02Å; F398-A453 HydrophobicContact CD1-CB 4.04Å; F398-A453 PolarHBondContact N-O 3.36Å; F398-A453 PolarHBondContact O-N 2.8Å
454	I	85.1	Confident	80.4	Confident	5 Å²	5	48 Å²	48	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.9	-175.7	-50	-177.3	0	0	0	108.2	T376 K378 Y380 D395 L397 V452	T376-I454 PolarHBondContact N-O 3.23Å; T376-I454 PolarHBondContact O-N 2.94Å; T376-I454 PolarHBondContact OG1-O 3.45Å; K378-I454 HydrophobicContact CB-CD1 4.45Å; K378-I454 HydrophobicContact CD-CD1 3.76Å; K378-I454 HydrophobicContact CG-CD1 4.24Å; Y380-I454 HydrophobicContact CE2-CD1 4.38Å; D395-I454 HydrophobicContact CB-CG2 3.59Å; L397-I454 HydrophobicContact CD2-CB 4.31Å; L397-I454 HydrophobicContact CD2-CD1 4.17Å; L397-I454 HydrophobicContact CD2-CG1 3.73Å; L397-I454 HydrophobicContact CD2-CG2 4.07Å; V452-I454 HydrophobicContact CG1-CG1 4.29Å
455	I	80.9	Confident	78.9	Confident	8 Å²	8	52 Å²	52	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.1	170	-62.1	168.9	0	0	0	107.4	L359 I375 L396 N459 L460	L359-I455 HydrophobicContact CD1-CD1 3.99Å; L359-I455 HydrophobicContact CD2-CD1 4.26Å; I375-I455 HydrophobicContact CG1-CD1 4.26Å; I375-I455 HydrophobicContact CG1-CG1 3.89Å; L396-I455 HydrophobicContact CB-CB 4.27Å; L396-I455 HydrophobicContact CD2-CD1 4.27Å; L396-I455 PolarHBondContact N-O 3.31Å; L396-I455 PolarHBondContact O-N 2.73Å; I455-N459 HydrophobicContact CG2-CB 4.26Å; I455-L460 HydrophobicContact CG2-CB 4.22Å; I455-L460 HydrophobicContact CG2-CD1 4.25Å
456	N	80.5	Confident	77.2	Confident	64 Å²	64	49.5 Å²	49.5	34%	0.342	25%	0.25	S	S	.	.			trans	-65.2	150.3	179.6	-62.9	0.7	0	0	0	111.2	D395 D458 N459 L460	D395-N456 WeakPolarHBondContact OD1-CA 3.33Å; N456-D458 PolarHBondContact O-N 2.88Å; N456-D458 VanDerWaalsContact O-N 3.16Å; N456-N459 PolarHBondContact O-N 2.74Å; N456-N459 VanDerWaalsContact O-N 3.08Å; N456-L460 PolarHBondContact O-N 2.91Å
457	A	73.6	Confident	75.3	Confident	14 Å²	14	52.6 Å²	52.6	12%	0.116	27%	0.266	C	S	.	.	H	α-helix	trans	-50.9	-40.4	178.2	0	0	0	0	0	113.7	C394 D395 L460 R461	C394-A457 HydrophobicContact CB-CB 3.98Å; C394-A457 WeakPolarHBondContact O-CB 3.49Å; D395-A457 PolarHBondContact OD1-N 3.09Å; A457-L460 WeakPolarHBondContact O-CB 3.41Å; A457-L460 PolarHBondContact O-N 3.32Å; A457-R461 WeakPolarHBondContact O-CG 3.37Å; A457-R461 PolarHBondContact O-N 2.77Å
458	D	73	Confident	73.4	Confident	92 Å²	92	51 Å²	51	49%	0.492	26%	0.264	S	S	.	.	H	α-helix	trans	-66.6	-41.2	-179.7	-62.9	-20.5	0	0	0	112.7	N456 L460 R461 K462	N456-D458 PolarHBondContact O-N 2.88Å; N456-D458 VanDerWaalsContact O-N 3.16Å; D458-L460 VanDerWaalsContact C-N 3.31Å; D458-R461 PolarHBondContact O-N 3Å; D458-R461 IonicContact OD1-CZ 2.74Å; D458-R461 VanDerWaalsContact OD1-CZ 3.26Å; D458-R461 IonicContact OD1-NH1 2.72Å; D458-R461 PolarHBondContact OD1-NH1 2.8Å; D458-R461 IonicContact OD1-NH2 2.92Å; D458-R461 PolarHBondContact OD1-NH2 2.79Å; D458-K462 PolarHBondContact O-N 3.2Å
459	N	75.2	Confident	71.4	Confident	35 Å²	35	46 Å²	46	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-38.7	175	-71.6	-13.9	0	0	0	110.1	M374 I455 N456 R461 K462 F463	M374-N459 HydrophobicContact CB-CB 4.04Å; M374-N459 HydrophobicContact CG-CB 4.2Å; M374-N459 PolarHBondContact O-ND2 3.37Å; M374-N459 HydrophobicContact SD-CB 4.22Å; I455-N459 HydrophobicContact CG2-CB 4.26Å; N456-N459 PolarHBondContact O-N 2.74Å; N456-N459 VanDerWaalsContact O-N 3.08Å; N459-R461 PolarHBondContact O-N 2.88Å; N459-K462 PolarHBondContact O-N 2.85Å; N459-F463 WeakPolarHBondContact O-CB 3.43Å; N459-F463 PolarHBondContact O-N 3.43Å; N459-F463 VanDerWaalsContact O-N 3.08Å
460	L	71.1	Confident	69.5	Low	7 Å²	7	39.7 Å²	39.7	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-60.2	-44.6	174.2	-165.1	68.5	0	0	0	110.9	L396 A434 I455 N456 A457 D458 K462 F463 V464 L473	L396-L460 HydrophobicContact CD2-CD1 4.14Å; A434-L460 HydrophobicContact CB-CD2 3.53Å; I455-L460 HydrophobicContact CG2-CB 4.22Å; I455-L460 HydrophobicContact CG2-CD1 4.25Å; N456-L460 PolarHBondContact O-N 2.91Å; A457-L460 WeakPolarHBondContact O-CB 3.41Å; A457-L460 PolarHBondContact O-N 3.32Å; D458-L460 VanDerWaalsContact C-N 3.31Å; L460-K462 PolarHBondContact O-N 3.21Å; L460-F463 CarbonylContact O-C 3.17Å; L460-F463 WeakPolarHBondContact O-CA 3.28Å; L460-F463 VanDerWaalsContact O-CB 3.28Å; L460-F463 WeakPolarHBondContact O-CB 3.49Å; L460-F463 PolarHBondContact O-N 2.8Å; L460-F463 VanDerWaalsContact O-N 3.09Å; L460-V464 HydrophobicContact CG-CG2 3.96Å; L460-V464 WeakPolarHBondContact O-CB 3.48Å; L460-V464 WeakPolarHBondContact O-CG2 3.36Å; L460-V464 PolarHBondContact O-N 3.11Å; L460-L473 HydrophobicContact CD1-CD2 3.7Å; L460-L473 HydrophobicContact CD2-CD2 4.08Å; L460-L473 HydrophobicContact CG-CD2 4.01Å
461	R	69	Low	67.5	Low	137 Å²	137	46.4 Å²	46.4	52%	0.517	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-41	178.3	-71.7	-165.5	-57.7	-100.2	3.4	113.5	A457 D458 N459 F463 V464 S465	A457-R461 WeakPolarHBondContact O-CG 3.37Å; A457-R461 PolarHBondContact O-N 2.77Å; D458-R461 PolarHBondContact O-N 3Å; D458-R461 IonicContact OD1-CZ 2.74Å; D458-R461 VanDerWaalsContact OD1-CZ 3.26Å; D458-R461 IonicContact OD1-NH1 2.72Å; D458-R461 PolarHBondContact OD1-NH1 2.8Å; D458-R461 IonicContact OD1-NH2 2.92Å; D458-R461 PolarHBondContact OD1-NH2 2.79Å; N459-R461 PolarHBondContact O-N 2.88Å; R461-F463 PolarHBondContact O-N 3.14Å; R461-V464 PolarHBondContact O-N 3.39Å; R461-S465 PolarHBondContact O-N 3.13Å
462	K	68.5	Low	65.5	Low	143 Å²	143	45 Å²	45	62%	0.622	23%	0.23	S	C	*	.	H	α-helix	trans	-58.7	-43.1	174.1	-69.6	175.5	-177.1	172.1	0	110.2	D458 N459 L460 S465	D458-K462 PolarHBondContact O-N 3.2Å; N459-K462 PolarHBondContact O-N 2.85Å; L460-K462 PolarHBondContact O-N 3.21Å; K462-S465 PolarHBondContact O-OG 3.31Å
463	F	62.4	Low	63.6	Low	27 Å²	27	45.4 Å²	45.4	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-49.3	177.7	-173	-91.6	0	0	0	112.2	I363 L365 L371 N459 L460 R461 S465 G466 A469 T472	I363-F463 HydrophobicContact CD1-CE1 4.36Å; I363-F463 HydrophobicContact CD1-CZ 3.92Å; I363-F463 HydrophobicContact CG2-CZ 3.84Å; L365-F463 HydrophobicContact CD1-CE1 4.32Å; L365-F463 HydrophobicContact CD1-CE2 3.29Å; L365-F463 HydrophobicContact CD1-CZ 3.13Å; L365-F463 HydrophobicContact CD2-CE2 4.26Å; L365-F463 HydrophobicContact CG-CE2 4.43Å; L371-F463 HydrophobicContact CD2-CD2 4.46Å; L371-F463 HydrophobicContact CD2-CE2 3.99Å; L371-F463 HydrophobicContact CG-CE2 4.39Å; N459-F463 WeakPolarHBondContact O-CB 3.43Å; N459-F463 PolarHBondContact O-N 3.43Å; N459-F463 VanDerWaalsContact O-N 3.08Å; L460-F463 CarbonylContact O-C 3.17Å; L460-F463 WeakPolarHBondContact O-CA 3.28Å; L460-F463 VanDerWaalsContact O-CB 3.28Å; L460-F463 WeakPolarHBondContact O-CB 3.49Å; L460-F463 PolarHBondContact O-N 2.8Å; L460-F463 VanDerWaalsContact O-N 3.09Å; R461-F463 PolarHBondContact O-N 3.14Å; F463-S465 PolarHBondContact O-N 3.24Å; F463-G466 PolarHBondContact O-N 3.02Å; F463-A469 VanDerWaalsContact C-CB 3.44Å; F463-A469 HydrophobicContact CD1-CB 3.48Å; F463-A469 VanDerWaalsContact CD1-CB 3.48Å; F463-A469 HydrophobicContact CE1-CB 3.57Å; F463-A469 HydrophobicContact CG-CB 4.26Å; F463-A469 HydrophobicContact CZ-CB 4.44Å; F463-A469 WeakPolarHBondContact O-CB 3.44Å; F463-T472 HydrophobicContact CE1-CG2 3.77Å; F463-T472 HydrophobicContact CZ-CG2 4.14Å
464	V	60.3	Low	62	Low	11 Å²	11	45.9 Å²	45.9	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-53.2	-27.4	-178.7	176.9	0	0	0	0	113.6	V247 L435 L460 R461 G466 L473	V247-V464 HydrophobicContact CG1-CG1 3.53Å; V247-V464 HydrophobicContact CG2-CG1 4.49Å; L435-V464 HydrophobicContact CD2-CG2 4.4Å; L460-V464 HydrophobicContact CG-CG2 3.96Å; L460-V464 WeakPolarHBondContact O-CB 3.48Å; L460-V464 WeakPolarHBondContact O-CG2 3.36Å; L460-V464 PolarHBondContact O-N 3.11Å; R461-V464 PolarHBondContact O-N 3.39Å; V464-G466 PolarHBondContact O-N 3.29Å; V464-G466 VanDerWaalsContact O-N 3.09Å; V464-L473 HydrophobicContact CB-CD1 3.59Å; V464-L473 HydrophobicContact CG1-CD1 3.42Å; V464-L473 VanDerWaalsContact CG1-CD1 3.42Å; V464-L473 HydrophobicContact CG2-CD1 3.2Å; V464-L473 HydrophobicContact CG2-CD2 3.96Å; V464-L473 HydrophobicContact CG2-CG 4.11Å
465	S	56.9	Low	60.3	Low	86 Å²	86	46.7 Å²	46.7	60%	0.601	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.5	-177.7	71.5	0	0	0	0	114.5	R461 K462 F463	R461-S465 PolarHBondContact O-N 3.13Å; K462-S465 PolarHBondContact O-OG 3.31Å; F463-S465 PolarHBondContact O-N 3.24Å
466	G	54.7	Low	59.1	Low	32 Å²	32	47.2 Å²	47.2	33%	0.33	24%	0.243	S	C	.	.	S	Bend	trans	-88.7	144.9	177.4	0	0	0	0	0	114.5	F463 V464 V468 A469 L470	F463-G466 PolarHBondContact O-N 3.02Å; V464-G466 PolarHBondContact O-N 3.29Å; V464-G466 VanDerWaalsContact O-N 3.09Å; G466-V468 PolarHBondContact O-N 3.3Å; G466-A469 WeakPolarHBondContact O-CA 3.3Å; G466-A469 VanDerWaalsContact O-CB 3.29Å; G466-A469 WeakPolarHBondContact O-CB 3.47Å; G466-A469 PolarHBondContact O-N 3.48Å; G466-L470 PolarHBondContact O-N 3.49Å
467	I	51.5	Low	58.4	Low	64 Å²	64	50.3 Å²	50.3	33%	0.328	25%	0.25	S	C	.	.	H	α-helix	trans	-48.6	-44.2	171.6	-73.9	169.8	0	0	0	112.1	F239 P243 A469 L470 R471	F239-I467 HydrophobicContact CD1-CG2 4.23Å; F239-I467 HydrophobicContact CE1-CG2 3.59Å; F239-I467 HydrophobicContact CZ-CG2 4.45Å; P243-I467 HydrophobicContact CB-CD1 3.83Å; P243-I467 HydrophobicContact CB-CG1 3.24Å; P243-I467 HydrophobicContact CG-CD1 3.9Å; P243-I467 HydrophobicContact CG-CG1 3.8Å; I467-A469 VanDerWaalsContact C-N 3.29Å; I467-A469 PolarHBondContact O-N 3.38Å; I467-L470 PolarHBondContact O-N 2.88Å; I467-R471 PolarHBondContact O-N 3.07Å
468	V	49.7	Very low	58.1	Low	62 Å²	62	49.7 Å²	49.7	38%	0.376	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-44.1	178.3	-179.1	0	0	0	0	109.6	L365 G466 L470 R471 T472	L365-V468 HydrophobicContact CD1-CG1 4.14Å; L365-V468 HydrophobicContact CG-CG1 4.48Å; G466-V468 PolarHBondContact O-N 3.3Å; V468-L470 PolarHBondContact O-N 2.93Å; V468-R471 PolarHBondContact O-N 3.11Å; V468-T472 WeakPolarHBondContact O-CB 3.46Å; V468-T472 PolarHBondContact O-N 3.14Å; V468-T472 PolarHBondContact O-OG1 3.37Å
469	A	47.9	Very low	57.9	Low	3 Å²	3	46.1 Å²	46.1	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-26.4	179.5	0	0	0	0	0	113.3	F463 G466 I467 T472 L473	F463-A469 VanDerWaalsContact C-CB 3.44Å; F463-A469 HydrophobicContact CD1-CB 3.48Å; F463-A469 VanDerWaalsContact CD1-CB 3.48Å; F463-A469 HydrophobicContact CE1-CB 3.57Å; F463-A469 HydrophobicContact CG-CB 4.26Å; F463-A469 HydrophobicContact CZ-CB 4.44Å; F463-A469 WeakPolarHBondContact O-CB 3.44Å; G466-A469 WeakPolarHBondContact O-CA 3.3Å; G466-A469 VanDerWaalsContact O-CB 3.29Å; G466-A469 WeakPolarHBondContact O-CB 3.47Å; G466-A469 PolarHBondContact O-N 3.48Å; I467-A469 VanDerWaalsContact C-N 3.29Å; I467-A469 PolarHBondContact O-N 3.38Å; A469-T472 CarbonylContact O-C 3.5Å; A469-T472 WeakPolarHBondContact O-CB 3.49Å; A469-L473 HydrophobicContact CB-CD1 4.47Å; A469-L473 WeakPolarHBondContact O-CB 3.14Å; A469-L473 WeakPolarHBondContact O-CD1 3.15Å; A469-L473 WeakPolarHBondContact O-CG 3.48Å; A469-L473 PolarHBondContact O-N 2.86Å
470	L	48.8	Very low	58	Low	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-72.9	-42.5	173.6	-116.1	176	0	0	0	113.1	F239 W246 V247 I250 G466 I467 V468 T472	F239-L470 HydrophobicContact CE2-CB 4.03Å; F239-L470 HydrophobicContact CE2-CD1 3.78Å; F239-L470 HydrophobicContact CE2-CG 4.44Å; F239-L470 HydrophobicContact CZ-CB 3.7Å; F239-L470 HydrophobicContact CZ-CD1 4.11Å; W246-L470 HydrophobicContact CB-CD1 4.41Å; V247-L470 HydrophobicContact CB-CD1 4.01Å; V247-L470 HydrophobicContact CB-CG 4.41Å; V247-L470 HydrophobicContact CG2-CD1 3.27Å; V247-L470 HydrophobicContact CG2-CG 3.7Å; I250-L470 HydrophobicContact CB-CD2 4.14Å; I250-L470 HydrophobicContact CD1-CD1 4.36Å; I250-L470 HydrophobicContact CD1-CD2 3.18Å; I250-L470 HydrophobicContact CD1-CG 4.37Å; I250-L470 HydrophobicContact CG1-CD2 4.23Å; I250-L470 HydrophobicContact CG2-CD2 4.16Å; G466-L470 PolarHBondContact O-N 3.49Å; I467-L470 PolarHBondContact O-N 2.88Å; V468-L470 PolarHBondContact O-N 2.93Å; L470-T472 VanDerWaalsContact C-N 3.27Å
471	R	48.6	Very low	58.6	Low	142 Å²	142	46 Å²	46	54%	0.536	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-39.6	171.6	-97	-172.9	172.6	-174.4	-0.4	111.1	F239 I467 V468 L474	F239-R471 HydrophobicContact CE1-CG 4.45Å; F239-R471 HydrophobicContact CZ-CG 4.36Å; I467-R471 PolarHBondContact O-N 3.07Å; V468-R471 PolarHBondContact O-N 3.11Å; R471-L474 WeakPolarHBondContact O-CB 3.35Å
472	T	46	Very low	59.3	Low	8 Å²	8	40.1 Å²	40.1	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-71.6	168.2	-61.4	0	0	0	0	109.8	I363 F463 V468 A469 L470 L474 L475	I363-T472 HydrophobicContact CB-CG2 3.84Å; I363-T472 HydrophobicContact CD1-CG2 3.79Å; I363-T472 HydrophobicContact CG1-CG2 3.63Å; I363-T472 HydrophobicContact CG2-CG2 3.57Å; I363-T472 WeakPolarHBondContact CG2-OG1 3.41Å; I363-T472 PolarHBondContact O-OG1 3.11Å; F463-T472 HydrophobicContact CE1-CG2 3.77Å; F463-T472 HydrophobicContact CZ-CG2 4.14Å; V468-T472 WeakPolarHBondContact O-CB 3.46Å; V468-T472 PolarHBondContact O-N 3.14Å; V468-T472 PolarHBondContact O-OG1 3.37Å; A469-T472 CarbonylContact O-C 3.5Å; A469-T472 WeakPolarHBondContact O-CB 3.49Å; L470-T472 VanDerWaalsContact C-N 3.27Å; T472-L474 CarbonylContact O-C 3.59Å; T472-L474 WeakPolarHBondContact O-CA 3.43Å; T472-L474 PolarHBondContact O-N 3.36Å; T472-L475 HydrophobicContact CG2-CD1 3.49Å; T472-L475 VanDerWaalsContact CG2-CD1 3.49Å; T472-L475 HydrophobicContact CG2-CD2 4.27Å; T472-L475 HydrophobicContact CG2-CG 3.62Å; T472-L475 WeakPolarHBondContact O-CA 3.45Å; T472-L475 VanDerWaalsContact O-CG 3.28Å; T472-L475 WeakPolarHBondContact O-CG 3.13Å; T472-L475 PolarHBondContact O-N 3.03Å
473	L	47.5	Very low	60	Low	9 Å²	9	36.2 Å²	36.2	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-49.1	-20.2	-167	-80.9	160.2	0	0	0	116.2	L435 L460 V464 A469 L475 V476	L435-L473 HydrophobicContact CD1-CB 4.13Å; L435-L473 HydrophobicContact CD1-CD2 4.25Å; L435-L473 HydrophobicContact CD2-CB 4.05Å; L435-L473 HydrophobicContact CD2-CD1 3.76Å; L435-L473 HydrophobicContact CD2-CD2 3.32Å; L435-L473 HydrophobicContact CD2-CG 3.86Å; L435-L473 HydrophobicContact CG-CD2 3.97Å; L460-L473 HydrophobicContact CD1-CD2 3.7Å; L460-L473 HydrophobicContact CD2-CD2 4.08Å; L460-L473 HydrophobicContact CG-CD2 4.01Å; V464-L473 HydrophobicContact CB-CD1 3.59Å; V464-L473 HydrophobicContact CG1-CD1 3.42Å; V464-L473 VanDerWaalsContact CG1-CD1 3.42Å; V464-L473 HydrophobicContact CG2-CD1 3.2Å; V464-L473 HydrophobicContact CG2-CD2 3.96Å; V464-L473 HydrophobicContact CG2-CG 4.11Å; A469-L473 HydrophobicContact CB-CD1 4.47Å; A469-L473 WeakPolarHBondContact O-CB 3.14Å; A469-L473 WeakPolarHBondContact O-CD1 3.15Å; A469-L473 WeakPolarHBondContact O-CG 3.48Å; A469-L473 PolarHBondContact O-N 2.86Å; L473-L475 PolarHBondContact O-N 3.33Å; L473-V476 PolarHBondContact O-N 2.98Å
474	L	50.2	Low	61.1	Low	10 Å²	10	35.4 Å²	35.4	5%	0.052	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	1.6	150.9	-87.9	165.6	0	0	0	114.9	L204 I207 K208 R471 T472 V476	L204-L474 HydrophobicContact CB-CD2 4.03Å; L204-L474 HydrophobicContact CD2-CD2 4.27Å; L204-L474 WeakPolarHBondContact O-CD2 3.42Å; I207-L474 HydrophobicContact CB-CD1 4.25Å; I207-L474 HydrophobicContact CG2-CD1 3.7Å; K208-L474 HydrophobicContact CD-CB 4.43Å; K208-L474 HydrophobicContact CD-CD1 4.5Å; K208-L474 HydrophobicContact CD-CD2 4.05Å; K208-L474 VanDerWaalsContact CE-CD2 3.44Å; K208-L474 WeakPolarHBondContact CE-O 3.4Å; K208-L474 HydrophobicContact CG-CB 4.22Å; K208-L474 HydrophobicContact CG-CD1 3.54Å; K208-L474 HydrophobicContact CG-CD2 3.89Å; K208-L474 HydrophobicContact CG-CG 4.05Å; K208-L474 PolarHBondContact NZ-O 2.92Å; R471-L474 WeakPolarHBondContact O-CB 3.35Å; T472-L474 CarbonylContact O-C 3.59Å; T472-L474 WeakPolarHBondContact O-CA 3.43Å; T472-L474 PolarHBondContact O-N 3.36Å; L474-V476 CarbonylContact O-C 3.58Å; L474-V476 PolarHBondContact O-N 2.98Å; L474-V476 VanDerWaalsContact O-N 3.17Å
475	L	50.6	Low	62.3	Low	23 Å²	23	34.9 Å²	34.9	12%	0.12	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-24.4	162.9	-83.1	-179.5	0	0	0	111.8	I362 I363 L396 L428 T472 L473 R477	I362-L475 HydrophobicContact CG2-CD2 3.92Å; I363-L475 HydrophobicContact CD1-CD1 3.92Å; I363-L475 HydrophobicContact CG1-CD1 3.75Å; I363-L475 HydrophobicContact CG1-CD2 4Å; I363-L475 HydrophobicContact CG1-CG 4.33Å; L396-L475 HydrophobicContact CD2-CD1 4.06Å; L428-L475 HydrophobicContact CD1-CB 3.76Å; L428-L475 HydrophobicContact CD1-CD1 3.78Å; L428-L475 HydrophobicContact CD1-CD2 3.27Å; L428-L475 HydrophobicContact CD1-CG 3.74Å; T472-L475 HydrophobicContact CG2-CD1 3.49Å; T472-L475 VanDerWaalsContact CG2-CD1 3.49Å; T472-L475 HydrophobicContact CG2-CD2 4.27Å; T472-L475 HydrophobicContact CG2-CG 3.62Å; T472-L475 WeakPolarHBondContact O-CA 3.45Å; T472-L475 VanDerWaalsContact O-CG 3.28Å; T472-L475 WeakPolarHBondContact O-CG 3.13Å; T472-L475 PolarHBondContact O-N 3.03Å; L473-L475 PolarHBondContact O-N 3.33Å; L475-R477 PolarHBondContact O-N 2.61Å
476	V	56.1	Low	63.7	Low	19 Å²	19	31 Å²	31	12%	0.115	16%	0.157	C	C	.	.	S	Bend	trans	-65.1	104.5	162.8	-174.6	0	0	0	0	107.8	L432 L435 L473 L474 F478	L432-V476 HydrophobicContact CG-CG1 4.06Å; L435-V476 HydrophobicContact CD1-CG2 4.08Å; L473-V476 PolarHBondContact O-N 2.98Å; L474-V476 CarbonylContact O-C 3.58Å; L474-V476 PolarHBondContact O-N 2.98Å; L474-V476 VanDerWaalsContact O-N 3.17Å; V476-F478 HydrophobicContact CB-CD2 3.98Å; V476-F478 HydrophobicContact CB-CE1 4.27Å; V476-F478 HydrophobicContact CB-CE2 3.39Å; V476-F478 HydrophobicContact CB-CZ 3.51Å; V476-F478 HydrophobicContact CG1-CD1 3.9Å; V476-F478 HydrophobicContact CG1-CD2 3.94Å; V476-F478 HydrophobicContact CG1-CE1 3.48Å; V476-F478 VanDerWaalsContact CG1-CE1 3.48Å; V476-F478 HydrophobicContact CG1-CE2 3.53Å; V476-F478 HydrophobicContact CG1-CG 4.08Å; V476-F478 HydrophobicContact CG1-CZ 3.22Å; V476-F478 HydrophobicContact CG2-CE2 4.32Å; V476-F478 HydrophobicContact CG2-CZ 4.17Å; V476-F478 WeakPolarHBondContact O-CD2 3.36Å; V476-F478 PolarHBondContact O-N 3.13Å
477	R	64.8	Low	65.2	Low	129 Å²	129	30.2 Å²	30.2	49%	0.487	15%	0.145	S	C	.	.			trans	-73	67.2	178.1	-141.5	178	-146.7	163.4	7.7	109.7	L475 E479 R480	L475-R477 PolarHBondContact O-N 2.61Å; R477-E479 HydrophobicContact CG-CB 4.46Å; R477-E479 HydrophobicContact CG-CG 4.06Å; R477-E479 PolarHBondContact O-N 2.99Å; R477-R480 WeakPolarHBondContact O-CG 3.33Å; R477-R480 PolarHBondContact O-N 3.34Å; R477-R480 VanDerWaalsContact O-N 3.09Å
478	F	67.3	Low	66.8	Low	1 Å²	1	27.2 Å²	27.2	0%	0.004	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-52.2	-13.2	174.1	-67.8	-71.7	0	0	0	114	L201 L204 L254 L432 V476 R480 F481 R486	L201-F478 HydrophobicContact CD2-CB 4.15Å; L201-F478 HydrophobicContact CD2-CD1 3.44Å; L201-F478 VanDerWaalsContact CD2-CD1 3.44Å; L201-F478 HydrophobicContact CD2-CE1 4.16Å; L201-F478 HydrophobicContact CD2-CG 3.98Å; L204-F478 HydrophobicContact CB-CD2 4.38Å; L204-F478 HydrophobicContact CD1-CD1 4.27Å; L204-F478 HydrophobicContact CD1-CD2 3.79Å; L204-F478 HydrophobicContact CD1-CE1 4.16Å; L204-F478 HydrophobicContact CD1-CE2 3.65Å; L204-F478 HydrophobicContact CD1-CG 4.14Å; L204-F478 HydrophobicContact CD1-CZ 3.89Å; L254-F478 HydrophobicContact CD2-CE1 3.83Å; L254-F478 HydrophobicContact CD2-CE2 3.77Å; L254-F478 HydrophobicContact CD2-CZ 3.13Å; L254-F478 HydrophobicContact CG-CZ 4.46Å; L432-F478 HydrophobicContact CD1-CE1 4.47Å; L432-F478 HydrophobicContact CD2-CE1 3.62Å; L432-F478 HydrophobicContact CD2-CZ 3.76Å; L432-F478 HydrophobicContact CG-CE1 4.18Å; L432-F478 HydrophobicContact CG-CZ 4.44Å; V476-F478 HydrophobicContact CB-CD2 3.98Å; V476-F478 HydrophobicContact CB-CE1 4.27Å; V476-F478 HydrophobicContact CB-CE2 3.39Å; V476-F478 HydrophobicContact CB-CZ 3.51Å; V476-F478 HydrophobicContact CG1-CD1 3.9Å; V476-F478 HydrophobicContact CG1-CD2 3.94Å; V476-F478 HydrophobicContact CG1-CE1 3.48Å; V476-F478 VanDerWaalsContact CG1-CE1 3.48Å; V476-F478 HydrophobicContact CG1-CE2 3.53Å; V476-F478 HydrophobicContact CG1-CG 4.08Å; V476-F478 HydrophobicContact CG1-CZ 3.22Å; V476-F478 HydrophobicContact CG2-CE2 4.32Å; V476-F478 HydrophobicContact CG2-CZ 4.17Å; V476-F478 WeakPolarHBondContact O-CD2 3.36Å; V476-F478 PolarHBondContact O-N 3.13Å; F478-R480 PolarHBondContact O-N 3.14Å; F478-F481 HydrophobicContact CB-CD2 4.37Å; F478-F481 AromaticContact CD1-CD2 3.92Å; F478-F481 HydrophobicContact CD1-CD2 3.92Å; F478-F481 AromaticContact CD1-CE2 3.68Å; F478-F481 HydrophobicContact CD1-CE2 3.68Å; F478-F481 HydrophobicContact CE1-CE2 4.23Å; F478-F481 PolarHBondContact O-N 2.86Å; F478-R486 VanDerWaalsContact C-NH2 3.32Å; F478-R486 PolarHBondContact O-NH2 2.84Å
479	E	68.7	Low	68.6	Low	17 Å²	17	24.2 Å²	24.2	8%	0.079	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-57.6	-24.1	173.4	-39	-157.5	151.6	0	0	113.7	R210 R212 R277 R477	R210-E479 IonicContact CZ-OE1 3.78Å; R210-E479 IonicContact NH1-OE1 3.22Å; R210-E479 PolarHBondContact NH1-OE1 3.33Å; R210-E479 IonicContact NH1-OE2 3.31Å; R212-E479 IonicContact CZ-OE1 3.97Å; R212-E479 IonicContact CZ-OE2 3.21Å; R212-E479 VanDerWaalsContact NH1-CB 3.29Å; R212-E479 IonicContact NH1-OE1 3.05Å; R212-E479 IonicContact NH1-OE2 3.58Å; R212-E479 IonicContact NH2-OE1 2.91Å; R212-E479 PolarHBondContact NH2-OE1 3.33Å; R212-E479 VanDerWaalsContact NH2-OE1 3.11Å; R212-E479 IonicContact NH2-OE2 3.86Å; R212-E479 PolarHBondContact NH2-OE2 3.1Å; R277-E479 WeakPolarHBondContact CD-O 3.41Å; R277-E479 PolarHBondContact NE-O 3.41Å; R277-E479 VanDerWaalsContact NE-O 3.08Å; R277-E479 PolarHBondContact NH1-O 3.02Å; R477-E479 HydrophobicContact CG-CB 4.46Å; R477-E479 HydrophobicContact CG-CG 4.06Å; R477-E479 PolarHBondContact O-N 2.99Å
480	R	77	Confident	70.5	Confident	30 Å²	30	24.3 Å²	24.3	11%	0.113	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-79.4	-20.9	-178.8	-56.9	-170.5	-165.6	-163.8	-2.1	113.3	M276 R277 E421 E427 R477 F478	M276-R480 CarbonylContact C-O 3.3Å; M276-R480 WeakPolarHBondContact CA-O 3.35Å; M276-R480 HydrophobicContact CE-CB 3.46Å; M276-R480 VanDerWaalsContact CE-CB 3.46Å; M276-R480 HydrophobicContact SD-CB 4.28Å; R277-R480 WeakPolarHBondContact CG-O 3.23Å; R277-R480 PolarHBondContact N-O 2.77Å; E421-R480 WeakPolarHBondContact OE1-CD 3.44Å; E421-R480 IonicContact OE1-CZ 3.95Å; E421-R480 IonicContact OE1-NE 3.57Å; E421-R480 IonicContact OE1-NH1 3.39Å; E421-R480 PolarHBondContact OE1-NH1 2.97Å; E427-R480 IonicContact OE1-CZ 3.11Å; E427-R480 IonicContact OE1-NH1 2.69Å; E427-R480 PolarHBondContact OE1-NH1 2.89Å; E427-R480 IonicContact OE1-NH2 3.96Å; E427-R480 PolarHBondContact OE1-NH2 3.42Å; E427-R480 IonicContact OE2-CZ 3.56Å; E427-R480 IonicContact OE2-NH1 3.29Å; E427-R480 PolarHBondContact OE2-NH1 3.14Å; E427-R480 IonicContact OE2-NH2 2.67Å; E427-R480 PolarHBondContact OE2-NH2 3.38Å; E427-R480 VanDerWaalsContact OE2-NH2 3.08Å; R477-R480 WeakPolarHBondContact O-CG 3.33Å; R477-R480 PolarHBondContact O-N 3.34Å; R477-R480 VanDerWaalsContact O-N 3.09Å; F478-R480 PolarHBondContact O-N 3.14Å
481	F	84.1	Confident	72.3	Confident	10 Å²	10	24.1 Å²	24.1	4%	0.044	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-60.8	140.4	169.8	-70	-67.4	0	0	0	110.4	L201 F257 L262 L275 M276 R277 L432 F478 V485	L201-F481 HydrophobicContact CD1-CB 4.02Å; L201-F481 HydrophobicContact CD1-CD2 4.24Å; L201-F481 HydrophobicContact CD1-CG 4.29Å; L201-F481 HydrophobicContact CD2-CD2 4.38Å; F257-F481 HydrophobicContact CE1-CD2 4.13Å; F257-F481 HydrophobicContact CE1-CE1 4.2Å; F257-F481 AromaticContact CE1-CE2 3.64Å; F257-F481 HydrophobicContact CE1-CE2 3.64Å; F257-F481 AromaticContact CE1-CZ 3.68Å; F257-F481 HydrophobicContact CE1-CZ 3.68Å; F257-F481 HydrophobicContact CZ-CD1 4.26Å; F257-F481 HydrophobicContact CZ-CD2 4.11Å; F257-F481 HydrophobicContact CZ-CE1 4.21Å; F257-F481 HydrophobicContact CZ-CE2 4.06Å; F257-F481 HydrophobicContact CZ-CG 4.23Å; F257-F481 HydrophobicContact CZ-CZ 4.11Å; L262-F481 HydrophobicContact CD1-CE1 4.42Å; L262-F481 HydrophobicContact CD1-CZ 4.19Å; L262-F481 HydrophobicContact CD2-CD1 4.24Å; L262-F481 HydrophobicContact CD2-CE1 3.58Å; L262-F481 HydrophobicContact CD2-CZ 4.11Å; L275-F481 WeakPolarHBondContact O-CA 3.33Å; M276-F481 HydrophobicContact SD-CD1 3.67Å; M276-F481 HydrophobicContact SD-CE1 3.78Å; M276-F481 HydrophobicContact SD-CG 4.27Å; M276-F481 HydrophobicContact SD-CZ 4.48Å; R277-F481 PolarHBondContact NE-O 3.29Å; L432-F481 HydrophobicContact CD1-CE2 4.43Å; L432-F481 HydrophobicContact CD1-CZ 4.13Å; F478-F481 HydrophobicContact CB-CD2 4.37Å; F478-F481 AromaticContact CD1-CD2 3.92Å; F478-F481 HydrophobicContact CD1-CD2 3.92Å; F478-F481 AromaticContact CD1-CE2 3.68Å; F478-F481 HydrophobicContact CD1-CE2 3.68Å; F478-F481 HydrophobicContact CE1-CE2 4.23Å; F478-F481 PolarHBondContact O-N 2.86Å; F481-V485 HydrophobicContact CB-CB 4.45Å; F481-V485 HydrophobicContact CB-CG1 4.37Å; F481-V485 HydrophobicContact CD1-CG1 4.4Å
482	S	84.9	Confident	74.3	Confident	12 Å²	12	17.4 Å²	17.4	8%	0.084	9%	0.085	C	C	.	.			trans	-62.1	156.5	-179.6	71.3	0	0	0	0	111.2	E274 L275 F484 V485 R486	E274-S482 VanDerWaalsContact O-CB 3.29Å; E274-S482 WeakPolarHBondContact O-CB 3.24Å; E274-S482 PolarHBondContact O-OG 3.28Å; L275-S482 PolarHBondContact O-N 2.91Å; S482-F484 PolarHBondContact O-N 2.79Å; S482-V485 PolarHBondContact O-N 3.31Å; S482-V485 WeakPolarHBondContact OG-CG2 3.11Å; S482-V485 PolarHBondContact OG-N 3.25Å; S482-R486 PolarHBondContact O-N 3.44Å
483	S	81.4	Confident	76.3	Confident	62 Å²	62	18 Å²	18	43%	0.434	9%	0.088	S	C	.	.	H	α-helix	trans	-60.6	-34.2	174.2	53.1	0	0	0	0	111	R486 E487	S483-R486 WeakPolarHBondContact O-CB 3.32Å; S483-R486 PolarHBondContact O-N 2.97Å; S483-E487 VanDerWaalsContact O-CG 3.31Å; S483-E487 WeakPolarHBondContact O-CG 3.45Å; S483-E487 PolarHBondContact O-N 3.38Å
484	F	85.8	Confident	78.2	Confident	9 Å²	9	20.8 Å²	20.8	4%	0.039	10%	0.098	C	C	.	.	H	α-helix	trans	-60.9	-44.4	176.7	174.8	-102.2	0	0	0	112.6	L265 F271 S482 R486 E487 A488 L577 V578 Y582	L265-F484 HydrophobicContact CD2-CE1 4.47Å; F271-F484 HydrophobicContact CD2-CE1 4.12Å; F271-F484 HydrophobicContact CE1-CE1 4.31Å; F271-F484 AromaticContact CE2-CE1 3.47Å; F271-F484 HydrophobicContact CE2-CE1 3.47Å; F271-F484 VanDerWaalsContact CE2-CE1 3.47Å; F271-F484 AromaticContact CE2-CZ 3.93Å; F271-F484 HydrophobicContact CE2-CZ 3.93Å; F271-F484 HydrophobicContact CZ-CD1 4.49Å; F271-F484 AromaticContact CZ-CE1 3.57Å; F271-F484 HydrophobicContact CZ-CE1 3.57Å; F271-F484 AromaticContact CZ-CZ 3.92Å; F271-F484 HydrophobicContact CZ-CZ 3.92Å; S482-F484 PolarHBondContact O-N 2.79Å; F484-R486 PolarHBondContact O-N 3.13Å; F484-E487 WeakPolarHBondContact O-CB 3.45Å; F484-E487 PolarHBondContact O-N 3.34Å; F484-E487 VanDerWaalsContact O-N 3.13Å; F484-A488 HydrophobicContact CE1-CB 4.35Å; F484-A488 HydrophobicContact CZ-CB 4.14Å; F484-A488 WeakPolarHBondContact O-CB 3.23Å; F484-A488 PolarHBondContact O-N 2.79Å; F484-L577 HydrophobicContact CE2-CD2 4.42Å; F484-V578 HydrophobicContact CE2-CG2 4.44Å; F484-V578 HydrophobicContact CZ-CG2 3.79Å; F484-Y582 HydrophobicContact CB-CE2 4.4Å; F484-Y582 AromaticContact CD1-CE2 3.74Å; F484-Y582 HydrophobicContact CD1-CE2 3.74Å; F484-Y582 AromaticContact CD2-CE2 3.74Å; F484-Y582 HydrophobicContact CD2-CE2 3.74Å; F484-Y582 HydrophobicContact CE1-CD2 4.33Å; F484-Y582 AromaticContact CE1-CE2 3.94Å; F484-Y582 HydrophobicContact CE1-CE2 3.94Å; F484-Y582 HydrophobicContact CE2-CD2 4.34Å; F484-Y582 AromaticContact CE2-CE2 3.92Å; F484-Y582 HydrophobicContact CE2-CE2 3.92Å; F484-Y582 AromaticContact CG-CE2 3.65Å; F484-Y582 HydrophobicContact CG-CE2 3.65Å; F484-Y582 HydrophobicContact CZ-CD2 4.24Å; F484-Y582 HydrophobicContact CZ-CE2 4.04Å
485	V	86.7	Confident	79.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-38.4	175.7	170.8	0	0	0	0	111.6	L201 F257 L265 L275 F481 S482 D489	L201-V485 HydrophobicContact CD1-CG1 4.13Å; F257-V485 HydrophobicContact CE2-CG1 3.89Å; F257-V485 HydrophobicContact CZ-CG1 3.89Å; L265-V485 HydrophobicContact CD1-CB 4.22Å; L265-V485 HydrophobicContact CD1-CG1 3.93Å; L265-V485 HydrophobicContact CD1-CG2 3.96Å; L275-V485 HydrophobicContact CB-CG2 4.39Å; L275-V485 HydrophobicContact CD2-CG2 3.85Å; F481-V485 HydrophobicContact CB-CB 4.45Å; F481-V485 HydrophobicContact CB-CG1 4.37Å; F481-V485 HydrophobicContact CD1-CG1 4.4Å; S482-V485 PolarHBondContact O-N 3.31Å; S482-V485 WeakPolarHBondContact OG-CG2 3.11Å; S482-V485 PolarHBondContact OG-N 3.25Å; V485-D489 VanDerWaalsContact O-CB 3.25Å; V485-D489 WeakPolarHBondContact O-CB 3.24Å; V485-D489 PolarHBondContact O-N 2.84Å
486	R	85.2	Confident	81.6	Confident	6 Å²	6	27.4 Å²	27.4	2%	0.023	13%	0.131	C	C	.	.	H	α-helix	trans	-70.4	-36	178.6	-64.1	165	170.2	-93.7	1.7	112.6	S199 L201 D205 L214 F478 S482 S483 F484	S199-R486 PolarHBondContact OG-O 2.81Å; L201-R486 HydrophobicContact CB-CG 3.94Å; L201-R486 HydrophobicContact CD1-CB 4.49Å; L201-R486 HydrophobicContact CD1-CG 3.47Å; L201-R486 VanDerWaalsContact CD1-CG 3.47Å; L201-R486 HydrophobicContact CG-CG 4.34Å; D205-R486 IonicContact OD2-CZ 3.78Å; D205-R486 IonicContact OD2-NH1 3.89Å; D205-R486 PolarHBondContact OD2-NH1 3.18Å; D205-R486 IonicContact OD2-NH2 2.85Å; D205-R486 PolarHBondContact OD2-NH2 3.25Å; L214-R486 HydrophobicContact CD2-CB 3.81Å; F478-R486 VanDerWaalsContact C-NH2 3.32Å; F478-R486 PolarHBondContact O-NH2 2.84Å; S482-R486 PolarHBondContact O-N 3.44Å; S483-R486 WeakPolarHBondContact O-CB 3.32Å; S483-R486 PolarHBondContact O-N 2.97Å; F484-R486 PolarHBondContact O-N 3.13Å
487	E	86.6	Confident	83.2	Confident	15 Å²	15	26.9 Å²	26.9	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-69.9	-44.5	175.4	-73.6	169.2	-168.3	0	0	110.8	I179 N216 V217 S483 F484 L490	I179-E487 HydrophobicContact CD1-CB 4.14Å; I179-E487 WeakPolarHBondContact CD1-O 3.09Å; I179-E487 HydrophobicContact CG2-CB 4.49Å; N216-E487 PolarHBondContact ND2-OE1 2.97Å; V217-E487 HydrophobicContact CG2-CG 3.84Å; S483-E487 VanDerWaalsContact O-CG 3.31Å; S483-E487 WeakPolarHBondContact O-CG 3.45Å; S483-E487 PolarHBondContact O-N 3.38Å; F484-E487 WeakPolarHBondContact O-CB 3.45Å; F484-E487 PolarHBondContact O-N 3.34Å; F484-E487 VanDerWaalsContact O-N 3.13Å; E487-L490 WeakPolarHBondContact O-CB 3.46Å; E487-L490 PolarHBondContact O-N 3.18Å
488	A	85.4	Confident	84.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.1	-35.4	178.6	0	0	0	0	0	112.9	L265 F484 L490 A491 L492 L574	L265-A488 HydrophobicContact CD1-CB 4.34Å; L265-A488 HydrophobicContact CD2-CB 3.91Å; F484-A488 HydrophobicContact CE1-CB 4.35Å; F484-A488 HydrophobicContact CZ-CB 4.14Å; F484-A488 WeakPolarHBondContact O-CB 3.23Å; F484-A488 PolarHBondContact O-N 2.79Å; A488-L490 PolarHBondContact O-N 2.82Å; A488-L490 VanDerWaalsContact O-N 3.16Å; A488-A491 PolarHBondContact O-N 3.29Å; A488-L492 PolarHBondContact O-N 3.05Å; A488-L574 HydrophobicContact CB-CD1 4.01Å
489	D	87.8	Confident	85.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.1	175.6	177	70	0	0	0	113.4	S199 S200 S261 V485 A491	S199-D489 VanDerWaalsContact CA-OD2 3.31Å; S199-D489 WeakPolarHBondContact CA-OD2 3.32Å; S199-D489 WeakPolarHBondContact CB-OD2 3.38Å; S199-D489 PolarHBondContact OG-OD2 3.3Å; S200-D489 WeakPolarHBondContact CB-OD2 3.26Å; S200-D489 PolarHBondContact N-OD2 2.85Å; S200-D489 PolarHBondContact OG-OD1 2.71Å; S200-D489 PolarHBondContact OG-OD2 3.04Å; S261-D489 WeakPolarHBondContact CB-OD1 3.01Å; S261-D489 PolarHBondContact OG-OD1 2.77Å; V485-D489 VanDerWaalsContact O-CB 3.25Å; V485-D489 WeakPolarHBondContact O-CB 3.24Å; V485-D489 PolarHBondContact O-N 2.84Å; D489-A491 VanDerWaalsContact C-N 3.26Å; D489-A491 PolarHBondContact O-N 2.86Å
490	L	86.7	Confident	85.8	Confident	5 Å²	5	23.9 Å²	23.9	3%	0.026	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.8	172.1	-68.3	170.5	0	0	0	113.7	I163 L177 L197 S199 L214 V217 E487 A488	I163-L490 HydrophobicContact CD1-CD1 4.01Å; L177-L490 HydrophobicContact CD2-CB 3.76Å; L177-L490 HydrophobicContact CD2-CD1 4.46Å; L197-L490 HydrophobicContact CD1-CD2 4.22Å; S199-L490 VanDerWaalsContact N-CD2 3.28Å; L214-L490 HydrophobicContact CD1-CD1 3.81Å; V217-L490 HydrophobicContact CB-CD1 4.44Å; V217-L490 HydrophobicContact CG1-CD1 3.76Å; V217-L490 HydrophobicContact CG2-CD1 4.07Å; E487-L490 WeakPolarHBondContact O-CB 3.46Å; E487-L490 PolarHBondContact O-N 3.18Å; A488-L490 PolarHBondContact O-N 2.82Å; A488-L490 VanDerWaalsContact O-N 3.16Å
491	A	87.5	Confident	86.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-105.3	-3.9	-174.7	0	0	0	0	0	113.4	V188 A488 D489 Q571 L574	V188-A491 HydrophobicContact CG1-CB 3.3Å; A488-A491 PolarHBondContact O-N 3.29Å; D489-A491 VanDerWaalsContact C-N 3.26Å; D489-A491 PolarHBondContact O-N 2.86Å; A491-Q571 WeakPolarHBondContact O-CG 3.39Å; A491-L574 HydrophobicContact CB-CB 4.18Å; A491-L574 HydrophobicContact CB-CD1 4.27Å; A491-L574 HydrophobicContact CB-CD2 4.11Å; A491-L574 HydrophobicContact CB-CG 4.41Å
492	L	90	Very high	86.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.7	177.8	-66.9	175.7	0	0	0	109.6	R256 A264 L265 A488 L570 L574	R256-L492 PolarHBondContact NH2-O 2.76Å; A264-L492 HydrophobicContact CB-CD1 3.98Å; A264-L492 HydrophobicContact CB-CD2 4.26Å; L265-L492 HydrophobicContact CD2-CD1 4.47Å; L265-L492 HydrophobicContact CG-CD1 4.31Å; A488-L492 PolarHBondContact O-N 3.05Å; L492-L570 HydrophobicContact CD2-CD2 3.94Å; L492-L570 HydrophobicContact CD2-CG 3.67Å; L492-L574 HydrophobicContact CD2-CD2 3.78Å; L492-L574 HydrophobicContact CG-CD2 4.14Å
493	D	87.9	Confident	86.7	Confident	21 Å²	21	26.7 Å²	26.7	11%	0.112	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.7	179.8	-63.2	-45.8	0	0	0	110.5	K189 C568 K569 Q571	K189-D493 WeakPolarHBondContact CE-OD2 3.42Å; K189-D493 IonicContact NZ-OD1 3.51Å; K189-D493 PolarHBondContact NZ-OD1 3.46Å; K189-D493 IonicContact NZ-OD2 3.84Å; K189-D493 PolarHBondContact NZ-OD2 3.47Å; D493-C568 WeakPolarHBondContact O-CA 3.27Å; D493-K569 HydrophobicContact CB-CB 4.03Å; D493-K569 HydrophobicContact CB-CD 4.21Å; D493-K569 HydrophobicContact CB-CG 4.5Å; D493-K569 PolarHBondContact N-O 3.03Å; D493-K569 VanDerWaalsContact N-O 3.14Å; D493-K569 PolarHBondContact O-N 2.95Å; D493-Q571 PolarHBondContact OD2-NE2 3.14Å
494	W	87.6	Confident	87.2	Confident	68 Å²	68	24 Å²	24	26%	0.258	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.8	171.7	-173.2	18.1	0	0	0	107.8	M252 R256 V260	M252-W494 HydrophobicContact CE-CH2 4.23Å; M252-W494 HydrophobicContact CE-CZ3 4.08Å; R256-W494 HydrophobicContact CB-CE3 3.9Å; R256-W494 HydrophobicContact CB-CZ3 4.18Å; R256-W494 HydrophobicContact CG-CB 4.42Å; R256-W494 HydrophobicContact CG-CE3 3.98Å; V260-W494 HydrophobicContact CG1-CB 4.43Å; V260-W494 HydrophobicContact CG2-CB 3.95Å; V260-W494 HydrophobicContact CG2-CD2 3.95Å; V260-W494 HydrophobicContact CG2-CG 3.67Å
495	E	86.2	Confident	87.4	Confident	63 Å²	63	29.1 Å²	29.1	29%	0.294	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137	-175.4	-166.2	173.3	160.6	0	0	109.8	Y514 L567	E495-Y514 WeakPolarHBondContact OE2-CE1 3.35Å; E495-L567 PolarHBondContact N-O 2.78Å; E495-L567 PolarHBondContact O-N 2.9Å
496	I	86.8	Confident	87.4	Confident	109 Å²	109	32 Å²	32	56%	0.559	15%	0.15	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111	115.6	175.9	-56.9	172.7	0	0	0	106.9	T565	I496-T565 CarbonylContact C-O 3.59Å; I496-T565 WeakPolarHBondContact CA-O 3.09Å
497	C	89.2	Confident	87.5	Confident	8 Å²	8	34.2 Å²	34.2	5%	0.054	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.1	176.6	-178.6	0	0	0	0	109.6	T565 L567	C497-T565 WeakPolarHBondContact CB-OG1 3.48Å; C497-T565 PolarHBondContact N-O 3.5Å; C497-T565 PolarHBondContact O-N 3.06Å; C497-T565 PolarHBondContact O-OG1 3.35Å; C497-L567 HydrophobicContact CB-CD1 4.3Å
498	E	86.1	Confident	87.7	Confident	74 Å²	74	37.2 Å²	37.2	35%	0.346	19%	0.188	S	C	.	.			trans	-71	151.8	-179.5	-56.5	-169.2	115	0	0	112.4	G500 K501 A561 D564 R706	E498-G500 PolarHBondContact O-N 3.04Å; E498-K501 HydrophobicContact CB-CD 3.98Å; E498-K501 HydrophobicContact CB-CG 4.31Å; E498-K501 HydrophobicContact CG-CD 4.4Å; E498-K501 WeakPolarHBondContact O-CB 3.18Å; E498-K501 PolarHBondContact O-N 3.46Å; E498-K501 VanDerWaalsContact O-N 3.14Å; E498-K501 WeakPolarHBondContact OE2-CE 3.48Å; E498-K501 IonicContact OE2-NZ 3.72Å; E498-K501 PolarHBondContact OE2-NZ 3.45Å; E498-A561 WeakPolarHBondContact O-CB 3.37Å; E498-D564 WeakPolarHBondContact CA-OD1 3.34Å; E498-R706 IonicContact OE1-CZ 3.19Å; E498-R706 IonicContact OE1-NH1 2.75Å; E498-R706 IonicContact OE1-NH2 3.43Å; E498-R706 PolarHBondContact OE1-NH2 3.21Å
499	S	85.8	Confident	87.8	Confident	9 Å²	9	42 Å²	42	6%	0.063	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	132.2	173	-176.2	0	0	0	0	111.6	K501 I562 D564	S499-K501 VanDerWaalsContact C-N 3.31Å; S499-K501 PolarHBondContact O-N 3.33Å; S499-I562 PolarHBondContact OG-O 3.14Å; S499-D564 PolarHBondContact N-OD1 3.42Å
500	G	83.3	Confident	87.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-14.8	179.4	0	0	0	0	0	115.6	A120 D121 E498 A561 A734	A120-G500 WeakPolarHBondContact CA-O 3.47Å; D121-G500 PolarHBondContact N-O 3.44Å; D121-G500 VanDerWaalsContact N-O 3.1Å; E498-G500 PolarHBondContact O-N 3.04Å; G500-A561 PolarHBondContact N-O 3.44Å; G500-A734 WeakPolarHBondContact CA-O 3.31Å
501	K	86	Confident	87.9	Confident	69 Å²	69	46.6 Å²	46.6	30%	0.3	24%	0.244	S	C	.	.			trans	-78.6	145.6	175.7	-67.4	-172.7	174.3	171	0	111.4	E498 S499 A561	E498-K501 HydrophobicContact CB-CD 3.98Å; E498-K501 HydrophobicContact CB-CG 4.31Å; E498-K501 HydrophobicContact CG-CD 4.4Å; E498-K501 WeakPolarHBondContact O-CB 3.18Å; E498-K501 PolarHBondContact O-N 3.46Å; E498-K501 VanDerWaalsContact O-N 3.14Å; E498-K501 WeakPolarHBondContact OE2-CE 3.48Å; E498-K501 IonicContact OE2-NZ 3.72Å; E498-K501 PolarHBondContact OE2-NZ 3.45Å; S499-K501 VanDerWaalsContact C-N 3.31Å; S499-K501 PolarHBondContact O-N 3.33Å; K501-A561 PolarHBondContact O-N 2.92Å
502	A	89	Confident	88	Confident	24 Å²	24	46.8 Å²	46.8	20%	0.198	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.4	167.7	0	0	0	0	0	109.6	A120 V559	A120-A502 HydrophobicContact CB-CB 3.46Å; A120-A502 VanDerWaalsContact CB-CB 3.46Å; A502-V559 CarbonylContact C-O 3.55Å; A502-V559 VanDerWaalsContact CA-O 3.31Å; A502-V559 WeakPolarHBondContact CA-O 3.43Å
503	L	90.1	Very high	88.1	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-42.9	167.5	-178.3	60.8	0	0	0	110.5	Y514 L521 V559 L567	L503-Y514 HydrophobicContact CD1-CD1 4.12Å; L503-Y514 HydrophobicContact CD1-CE1 3.81Å; L503-Y514 HydrophobicContact CD1-CE2 4.39Å; L503-Y514 HydrophobicContact CD2-CD1 4.24Å; L503-Y514 HydrophobicContact CD2-CD2 3.76Å; L503-Y514 HydrophobicContact CD2-CE2 4.13Å; L503-Y514 HydrophobicContact CD2-CG 3.81Å; L503-Y514 HydrophobicContact CG-CD2 4.32Å; L503-Y514 HydrophobicContact CG-CE1 4.46Å; L503-Y514 HydrophobicContact CG-CE2 4.19Å; L503-L521 HydrophobicContact CD2-CD1 4.06Å; L503-V559 HydrophobicContact CB-CB 4.46Å; L503-V559 HydrophobicContact CB-CG1 4.34Å; L503-V559 HydrophobicContact CD2-CG1 4.38Å; L503-V559 PolarHBondContact N-O 3.25Å; L503-L567 HydrophobicContact CD1-CD1 3.38Å; L503-L567 HydrophobicContact CD2-CD1 3.71Å; L503-L567 HydrophobicContact CG-CD1 4.14Å
504	Y	91.6	Very high	88.3	Confident	6 Å²	6	46.8 Å²	46.8	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	165.9	172.7	53.7	-108.3	0	0	0	109.8	E508 Y514 V544 S545 R555 T557 V559	Y504-E508 WeakPolarHBondContact CA-OE2 3.45Å; Y504-E508 VanDerWaalsContact CB-OE2 3.3Å; Y504-E508 WeakPolarHBondContact CB-OE2 3.36Å; Y504-Y514 HydrophobicContact CD1-CD2 4.48Å; Y504-Y514 HydrophobicContact CD1-CE2 4.07Å; Y504-Y514 HydrophobicContact CE1-CD2 4.22Å; Y504-Y514 HydrophobicContact CE1-CE2 4.25Å; Y504-V544 HydrophobicContact CE1-CG1 3.95Å; Y504-V544 WeakPolarHBondContact OH-CG1 3.38Å; Y504-S545 VanDerWaalsContact CE1-OG 3.3Å; Y504-S545 WeakPolarHBondContact CE1-OG 3.46Å; Y504-S545 PolarHBondContact OH-OG 3.3Å; Y504-R555 HydrophobicContact CD2-CB 3.92Å; Y504-R555 HydrophobicContact CD2-CG 3.56Å; Y504-R555 HydrophobicContact CE2-CB 4.1Å; Y504-R555 HydrophobicContact CE2-CG 4.03Å; Y504-R555 HydrophobicContact CG-CG 4.03Å; Y504-T557 WeakPolarHBondContact CE2-O 3.47Å; Y504-V559 HydrophobicContact CD2-CB 4.46Å; Y504-V559 HydrophobicContact CE1-CB 4.27Å; Y504-V559 HydrophobicContact CE1-CG2 4.34Å; Y504-V559 HydrophobicContact CE2-CB 3.88Å; Y504-V559 HydrophobicContact CE2-CG2 3.58Å; Y504-V559 VanDerWaalsContact CZ-CG2 3.44Å; Y504-V559 PolarHBondContact O-N 2.85Å; Y504-V559 VanDerWaalsContact O-N 3.12Å; Y504-V559 VanDerWaalsContact OH-CG2 3.24Å; Y504-V559 WeakPolarHBondContact OH-CG2 3.35Å
505	R	90.3	Very high	88.4	Confident	116 Å²	116	43.7 Å²	43.7	44%	0.438	23%	0.233	S	C	.	.			trans	-109.5	152.5	177.7	-59.8	-178.8	-179.1	76.4	4	112	G507 E508 R555	R505-G507 PolarHBondContact O-N 2.88Å; R505-E508 HydrophobicContact CB-CG 4.23Å; R505-E508 WeakPolarHBondContact CB-OE1 3.43Å; R505-E508 VanDerWaalsContact N-CD 3.29Å; R505-E508 PolarHBondContact N-OE2 2.75Å; R505-E508 IonicContact NH1-OE1 3.97Å; R505-E508 WeakPolarHBondContact O-CB 3.23Å; R505-E508 WeakPolarHBondContact O-CG 3.31Å; R505-E508 PolarHBondContact O-N 3.5Å; R505-E508 VanDerWaalsContact O-N 3.17Å; R505-R555 WeakPolarHBondContact O-CB 2.96Å
506	Q	86.3	Confident	88.6	Confident	61 Å²	61	40.7 Å²	40.7	29%	0.285	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	133.7	173	-179.7	176.1	-10.1	0	0	110.5	T526 S556 T557 S558	Q506-T526 PolarHBondContact NE2-O 3.36Å; Q506-T526 PolarHBondContact OE1-O 2.82Å; Q506-T526 PolarHBondContact OE1-OG1 2.92Å; Q506-S556 WeakPolarHBondContact CG-O 3.38Å; Q506-T557 PolarHBondContact N-O 3.24Å; Q506-S558 PolarHBondContact N-OG 3.21Å
507	G	86.9	Confident	88.5	Confident	52 Å²	52	36.8 Å²	36.8	54%	0.536	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-11.8	-178.6	0	0	0	0	0	115.2	R505 R555	R505-G507 PolarHBondContact O-N 2.88Å; G507-R555 PolarHBondContact N-O 2.98Å
508	E	90.5	Very high	88.3	Confident	77 Å²	77	36.5 Å²	36.5	36%	0.36	20%	0.197	S	C	.	.	S	Bend	trans	-66.9	164.5	174.9	-69.7	175.5	179.3	0	0	111.5	Y504 R505 P554 R555	Y504-E508 WeakPolarHBondContact CA-OE2 3.45Å; Y504-E508 VanDerWaalsContact CB-OE2 3.3Å; Y504-E508 WeakPolarHBondContact CB-OE2 3.36Å; R505-E508 HydrophobicContact CB-CG 4.23Å; R505-E508 WeakPolarHBondContact CB-OE1 3.43Å; R505-E508 VanDerWaalsContact N-CD 3.29Å; R505-E508 PolarHBondContact N-OE2 2.75Å; R505-E508 IonicContact NH1-OE1 3.97Å; R505-E508 WeakPolarHBondContact O-CB 3.23Å; R505-E508 WeakPolarHBondContact O-CG 3.31Å; R505-E508 PolarHBondContact O-N 3.5Å; R505-E508 VanDerWaalsContact O-N 3.17Å; E508-P554 CarbonylContact O-C 3.58Å; E508-P554 WeakPolarHBondContact O-CA 3.32Å; E508-R555 HydrophobicContact CB-CG 3.92Å; E508-R555 WeakPolarHBondContact O-CG 3.14Å; E508-R555 PolarHBondContact O-N 2.93Å
509	V	89.6	Confident	88.4	Confident	102 Å²	102	33.1 Å²	33.1	62%	0.618	18%	0.182	S	C	*	.			trans	-74.6	139.1	178.7	-67.5	0	0	0	0	111.3	D511 R555	V509-D511 PolarHBondContact O-N 3.34Å; V509-R555 PolarHBondContact O-NE 2.99Å; V509-R555 PolarHBondContact O-NH2 3.04Å
510	A	87.1	Confident	88.6	Confident	15 Å²	15	33.3 Å²	33.3	12%	0.124	18%	0.181	C	C	.	.			trans	-95.2	72.9	179.9	0	0	0	0	0	111.7	E548 V549 Q553	A510-E548 HydrophobicContact CB-CB 3.76Å; A510-V549 HydrophobicContact CB-CG2 4.06Å; A510-Q553 WeakPolarHBondContact CB-O 3.44Å
511	D	88.3	Confident	88.9	Confident	86 Å²	86	33.3 Å²	33.3	46%	0.46	18%	0.181	S	C	.	.			trans	-84.8	-22.8	179.9	-67	-17.2	0	0	0	113.2	V509 A572	V509-D511 PolarHBondContact O-N 3.34Å; D511-A572 WeakPolarHBondContact O-CB 3.15Å; D511-A572 PolarHBondContact O-N 3.09Å
512	S	90.9	Very high	88.9	Confident	4 Å²	4	30.3 Å²	30.3	3%	0.028	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.8	-177.4	59.5	0	0	0	0	111.6	Y514 R555 L570	S512-Y514 PolarHBondContact OG-OH 3.3Å; S512-R555 PolarHBondContact O-NH1 3.45Å; S512-R555 PolarHBondContact O-NH2 3.31Å; S512-L570 VanDerWaalsContact CA-O 3.27Å; S512-L570 WeakPolarHBondContact CA-O 3.46Å; S512-L570 WeakPolarHBondContact CB-O 3.38Å
513	F	91.4	Very high	88.8	Confident	8 Å²	8	29.3 Å²	29.3	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	157.9	168.4	69.6	-88.7	0	0	0	109.5	I543 V544 L546 V549 L570 L575	F513-I543 HydrophobicContact CD2-CG2 3.85Å; F513-I543 HydrophobicContact CE2-CG2 4.38Å; F513-V544 WeakPolarHBondContact CA-O 3.41Å; F513-V544 WeakPolarHBondContact CB-O 3.43Å; F513-L546 HydrophobicContact CD1-CD1 4.23Å; F513-L546 HydrophobicContact CD2-CD1 4.21Å; F513-L546 HydrophobicContact CE1-CD1 4.35Å; F513-L546 HydrophobicContact CE2-CD1 4.32Å; F513-L546 HydrophobicContact CG-CD1 4.15Å; F513-L546 HydrophobicContact CZ-CD1 4.37Å; F513-V549 HydrophobicContact CB-CG2 3.97Å; F513-V549 HydrophobicContact CD1-CG1 4.47Å; F513-L570 HydrophobicContact CD1-CB 4.03Å; F513-L570 HydrophobicContact CD2-CB 4.11Å; F513-L570 HydrophobicContact CD2-CD1 4.34Å; F513-L570 HydrophobicContact CE1-CB 3.6Å; F513-L570 HydrophobicContact CE1-CD2 4.44Å; F513-L570 HydrophobicContact CE2-CB 3.7Å; F513-L570 HydrophobicContact CE2-CD1 3.87Å; F513-L570 HydrophobicContact CE2-CD2 3.79Å; F513-L570 HydrophobicContact CE2-CG 3.98Å; F513-L570 HydrophobicContact CG-CB 4.28Å; F513-L570 HydrophobicContact CZ-CB 3.43Å; F513-L570 VanDerWaalsContact CZ-CB 3.43Å; F513-L570 HydrophobicContact CZ-CD1 4.35Å; F513-L570 HydrophobicContact CZ-CD2 3.54Å; F513-L570 HydrophobicContact CZ-CG 3.94Å; F513-L570 PolarHBondContact N-O 3.4Å; F513-L570 PolarHBondContact O-N 3.22Å; F513-L575 HydrophobicContact CE1-CD2 4.33Å
514	Y	92.4	Very high	88.6	Confident	12 Å²	12	28.5 Å²	28.5	5%	0.047	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.7	-171.8	-60.6	-94.5	0	0	0	110.7	E495 L503 Y504 S512 I543 V544 L567 C568 K569	E495-Y514 WeakPolarHBondContact OE2-CE1 3.35Å; L503-Y514 HydrophobicContact CD1-CD1 4.12Å; L503-Y514 HydrophobicContact CD1-CE1 3.81Å; L503-Y514 HydrophobicContact CD1-CE2 4.39Å; L503-Y514 HydrophobicContact CD2-CD1 4.24Å; L503-Y514 HydrophobicContact CD2-CD2 3.76Å; L503-Y514 HydrophobicContact CD2-CE2 4.13Å; L503-Y514 HydrophobicContact CD2-CG 3.81Å; L503-Y514 HydrophobicContact CG-CD2 4.32Å; L503-Y514 HydrophobicContact CG-CE1 4.46Å; L503-Y514 HydrophobicContact CG-CE2 4.19Å; Y504-Y514 HydrophobicContact CD1-CD2 4.48Å; Y504-Y514 HydrophobicContact CD1-CE2 4.07Å; Y504-Y514 HydrophobicContact CE1-CD2 4.22Å; Y504-Y514 HydrophobicContact CE1-CE2 4.25Å; S512-Y514 PolarHBondContact OG-OH 3.3Å; Y514-I543 WeakPolarHBondContact O-CA 3.42Å; Y514-V544 PolarHBondContact N-O 3.18Å; Y514-V544 PolarHBondContact O-N 3.33Å; Y514-L567 HydrophobicContact CD1-CB 4.27Å; Y514-L567 HydrophobicContact CD1-CD1 4.2Å; Y514-C568 CarbonylContact C-O 3.6Å; Y514-C568 WeakPolarHBondContact CA-O 2.96Å; Y514-K569 HydrophobicContact CD1-CB 3.76Å; Y514-K569 HydrophobicContact CD1-CG 4.15Å; Y514-K569 HydrophobicContact CE1-CB 3.58Å; Y514-K569 HydrophobicContact CE1-CD 3.98Å; Y514-K569 HydrophobicContact CE1-CG 3.58Å
515	V	90.1	Very high	88.2	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.8	171.5	164.1	0	0	0	0	108.1	Y268 I517 I543 L567 C568 L570	Y268-V515 HydrophobicContact CD1-CG2 3.76Å; Y268-V515 HydrophobicContact CD2-CG2 4.21Å; Y268-V515 HydrophobicContact CE1-CB 4.38Å; Y268-V515 HydrophobicContact CE1-CG1 3.96Å; Y268-V515 HydrophobicContact CE1-CG2 3.52Å; Y268-V515 HydrophobicContact CE2-CB 4.36Å; Y268-V515 HydrophobicContact CE2-CG1 3.62Å; Y268-V515 HydrophobicContact CE2-CG2 3.95Å; Y268-V515 HydrophobicContact CG-CG2 4.1Å; Y268-V515 WeakPolarHBondContact OH-CG1 3.42Å; V515-I517 PolarHBondContact O-N 2.9Å; V515-I543 HydrophobicContact CG2-CG1 4.42Å; V515-L567 CarbonylContact O-C 3.17Å; V515-L567 VanDerWaalsContact O-CA 3.32Å; V515-L567 WeakPolarHBondContact O-CA 3.33Å; V515-C568 HydrophobicContact CB-CB 4.13Å; V515-C568 PolarHBondContact N-O 3.05Å; V515-C568 PolarHBondContact O-N 2.91Å; V515-L570 HydrophobicContact CB-CD1 4.39Å; V515-L570 HydrophobicContact CG2-CD1 3.89Å
516	V	89	Confident	87.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	108	177.7	-173.6	0	0	0	0	109.6	L521 G539 G541 D542 V544 L567	V516-L521 HydrophobicContact CG2-CD1 3.84Å; V516-L521 HydrophobicContact CG2-CG 4.31Å; V516-G539 VanDerWaalsContact CB-O 3.24Å; V516-G539 WeakPolarHBondContact CB-O 3.4Å; V516-G539 WeakPolarHBondContact CG1-O 3.17Å; V516-G541 PolarHBondContact O-N 3.41Å; V516-D542 PolarHBondContact N-O 3.46Å; V516-D542 VanDerWaalsContact N-O 3.09Å; V516-V544 HydrophobicContact CG2-CG2 4.23Å; V516-L567 HydrophobicContact CB-CD2 4.16Å; V516-L567 HydrophobicContact CG1-CD2 4.28Å; V516-L567 HydrophobicContact CG2-CD2 3.83Å
517	I	85.2	Confident	87.1	Confident	26 Å²	26	32.7 Å²	32.7	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-48.5	178	-54.5	176.5	0	0	0	109.9	V260 V515 R540 E566 C568	V260-I517 HydrophobicContact CB-CD1 4.39Å; V260-I517 HydrophobicContact CG1-CD1 4.43Å; V260-I517 HydrophobicContact CG2-CD1 3.73Å; V515-I517 PolarHBondContact O-N 2.9Å; I517-R540 VanDerWaalsContact O-CD 3.32Å; I517-R540 WeakPolarHBondContact O-CD 3.11Å; I517-R540 VanDerWaalsContact O-CG 3.26Å; I517-R540 WeakPolarHBondContact O-CG 3.32Å; I517-R540 PolarHBondContact O-NE 2.61Å; I517-E566 HydrophobicContact CB-CB 4.46Å; I517-E566 WeakPolarHBondContact CB-O 3.45Å; I517-E566 PolarHBondContact N-O 3.33Å; I517-C568 HydrophobicContact CD1-CB 4Å; I517-C568 HydrophobicContact CG1-CB 4.19Å
518	S	85.6	Confident	86.2	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	139.6	173.2	175.8	0	0	0	0	107.7	T565 E566 E683	S518-T565 CarbonylContact O-C 3.49Å; S518-T565 WeakPolarHBondContact O-CA 3.47Å; S518-E566 PolarHBondContact N-O 2.8Å; S518-E566 PolarHBondContact O-N 3.42Å; S518-E683 PolarHBondContact OG-OE2 2.98Å
519	G	88.1	Confident	85	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.021	20%	0.201	C	C	.	.			trans	130.5	-178.1	-176.8	0	0	0	0	0	113.8	T565	G519-T565 VanDerWaalsContact CA-CG2 3.49Å
520	R	88.8	Confident	83.8	Confident	14 Å²	14	37.7 Å²	37.7	5%	0.053	20%	0.204	C	C	.	.			trans	-144	126.1	174.8	-157.8	-169.8	-174.5	85	12	110.2	E537 Y538 I562 R563 T565 V616 A617 N618 D709	R520-E537 IonicContact CZ-OE2 3.59Å; R520-E537 VanDerWaalsContact CZ-OE2 3.31Å; R520-E537 IonicContact NE-OE2 2.88Å; R520-E537 PolarHBondContact NE-OE2 3.24Å; R520-E537 IonicContact NH2-OE2 3.93Å; R520-E537 PolarHBondContact NH2-OE2 2.73Å; R520-Y538 CarbonylContact C-O 3.46Å; R520-Y538 WeakPolarHBondContact CA-O 3.34Å; R520-Y538 WeakPolarHBondContact CG-O 3.43Å; R520-I562 HydrophobicContact CB-CB 4.35Å; R520-I562 HydrophobicContact CB-CD1 4.4Å; R520-I562 HydrophobicContact CG-CD1 3.88Å; R520-I562 WeakPolarHBondContact O-CB 3.44Å; R520-I562 PolarHBondContact O-N 2.96Å; R520-R563 HydrophobicContact CB-CG 4.11Å; R520-T565 WeakPolarHBondContact O-CG2 3.29Å; R520-V616 VanDerWaalsContact CZ-CG1 3.44Å; R520-A617 PolarHBondContact NH2-O 2.89Å; R520-N618 PolarHBondContact NH1-O 2.97Å; R520-D709 WeakPolarHBondContact CB-OD1 3.44Å; R520-D709 IonicContact NH1-OD2 3.26Å
521	L	89.6	Confident	82.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	157.7	179	-57.3	175.8	0	0	0	110.6	L503 V516 E537 Y538 V544 V559 I560 A561 T565 L567	L503-L521 HydrophobicContact CD2-CD1 4.06Å; V516-L521 HydrophobicContact CG2-CD1 3.84Å; V516-L521 HydrophobicContact CG2-CG 4.31Å; L521-E537 CarbonylContact O-C 3.56Å; L521-E537 VanDerWaalsContact O-CA 3.29Å; L521-E537 WeakPolarHBondContact O-CA 3.45Å; L521-Y538 HydrophobicContact CB-CD2 4.18Å; L521-Y538 PolarHBondContact N-O 3.04Å; L521-Y538 PolarHBondContact O-N 3.27Å; L521-V544 HydrophobicContact CD1-CG2 4.16Å; L521-V559 HydrophobicContact CB-CG1 3.78Å; L521-V559 HydrophobicContact CD1-CG1 3.89Å; L521-V559 HydrophobicContact CG-CG1 4.3Å; L521-I560 CarbonylContact C-O 3.6Å; L521-I560 WeakPolarHBondContact CA-O 3.35Å; L521-A561 HydrophobicContact CD2-CB 3.79Å; L521-T565 HydrophobicContact CD2-CG2 3.7Å; L521-T565 HydrophobicContact CG-CG2 4.33Å; L521-L567 HydrophobicContact CD1-CD1 4.41Å; L521-L567 HydrophobicContact CD1-CD2 3.94Å
522	R	87.2	Confident	82.2	Confident	6 Å²	6	39.2 Å²	39.2	2%	0.023	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.1	177.3	-173.3	172.1	-73.8	148.4	-2.3	111.2	V524 V534 E537 V559 I560 I562	R522-V524 HydrophobicContact CG-CG2 4.36Å; R522-V534 HydrophobicContact CG-CG1 3.6Å; R522-V534 HydrophobicContact CG-CG2 4.46Å; R522-E537 HydrophobicContact CG-CG 4.22Å; R522-E537 IonicContact CZ-OE1 2.85Å; R522-E537 VanDerWaalsContact CZ-OE1 3.22Å; R522-E537 IonicContact NE-OE1 2.91Å; R522-E537 PolarHBondContact NE-OE1 2.85Å; R522-E537 IonicContact NH2-OE1 3.15Å; R522-E537 PolarHBondContact NH2-OE1 2.98Å; R522-V559 CarbonylContact O-C 3.44Å; R522-V559 WeakPolarHBondContact O-CA 3.2Å; R522-I560 PolarHBondContact N-O 3.29Å; R522-I560 PolarHBondContact O-N 2.8Å; R522-I562 HydrophobicContact CB-CD1 4.03Å; R522-I562 HydrophobicContact CB-CG1 3.99Å
523	S	86.6	Confident	81.3	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.9	174.9	-172.3	0	0	0	0	110.3	L535 H536 T557	S523-L535 PolarHBondContact O-N 2.91Å; S523-H536 PolarHBondContact N-O 3.44Å; S523-T557 VanDerWaalsContact OG-CB 3.24Å; S523-T557 WeakPolarHBondContact OG-CB 3.28Å; S523-T557 WeakPolarHBondContact OG-CG2 3.46Å; S523-T557 PolarHBondContact OG-OG1 2.88Å
524	V	84.6	Confident	80.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.2	179.4	176.3	0	0	0	0	109.1	V118 R522 T526 K532 V534 S558 I560	V118-V524 HydrophobicContact CG1-CB 4.32Å; V118-V524 HydrophobicContact CG1-CG1 3.32Å; V118-V524 HydrophobicContact CG1-CG2 4.01Å; R522-V524 HydrophobicContact CG-CG2 4.36Å; V524-T526 HydrophobicContact CG1-CG2 4.32Å; V524-K532 HydrophobicContact CG1-CB 4.03Å; V524-V534 HydrophobicContact CG2-CG2 4.5Å; V524-S558 PolarHBondContact N-O 2.8Å; V524-S558 PolarHBondContact O-N 2.81Å; V524-I560 HydrophobicContact CG2-CD1 3.92Å
525	F	83.7	Confident	79.5	Confident	69 Å²	69	46.8 Å²	46.8	30%	0.303	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.6	172.3	-177.5	-109.2	0	0	0	110.5	K527 K532 T533 L535 T557	F525-K527 HydrophobicContact CD1-CB 4.32Å; F525-K527 HydrophobicContact CE1-CB 3.83Å; F525-K527 HydrophobicContact CE1-CG 4.3Å; F525-K532 WeakPolarHBondContact O-CA 3.24Å; F525-T533 PolarHBondContact N-O 2.9Å; F525-T533 PolarHBondContact O-N 3.49Å; F525-T533 PolarHBondContact O-OG1 3.3Å; F525-L535 HydrophobicContact CB-CD1 3.57Å; F525-L535 HydrophobicContact CB-CD2 4.27Å; F525-L535 HydrophobicContact CB-CG 3.68Å; F525-L535 HydrophobicContact CG-CD1 4.21Å; F525-T557 HydrophobicContact CB-CG2 4.33Å; F525-T557 HydrophobicContact CD2-CG2 4.33Å
526	T	80.3	Confident	78.7	Confident	44 Å²	44	48.4 Å²	48.4	27%	0.27	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	107.7	177	63	0	0	0	0	108.5	Q506 V524 K532	Q506-T526 PolarHBondContact NE2-O 3.36Å; Q506-T526 PolarHBondContact OE1-O 2.82Å; Q506-T526 PolarHBondContact OE1-OG1 2.92Å; V524-T526 HydrophobicContact CG1-CG2 4.32Å; T526-K532 HydrophobicContact CG2-CB 4.24Å; T526-K532 HydrophobicContact CG2-CD 4.1Å; T526-K532 HydrophobicContact CG2-CG 3.74Å
527	K	73.1	Confident	78.3	Confident	158 Å²	158	50.2 Å²	50.2	69%	0.687	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	-46.2	-180	-172.3	-177.4	177.1	-174.6	0	111.1	F525 T531	F525-K527 HydrophobicContact CD1-CB 4.32Å; F525-K527 HydrophobicContact CE1-CB 3.83Å; F525-K527 HydrophobicContact CE1-CG 4.3Å; K527-T531 PolarHBondContact N-O 3.05Å
528	E	67.7	Low	78.3	Confident	107 Å²	107	49.9 Å²	49.9	50%	0.5	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.5	175.7	-68.6	172.5	-160.3	0	0	107.2	S530 T531	E528-S530 PolarHBondContact O-N 2.61Å; E528-T531 PolarHBondContact N-OG1 3.41Å; E528-T531 PolarHBondContact O-N 2.81Å
529	P	66.4	Low	78.1	Confident	129 Å²	129	50.2 Å²	50.2	84%	0.838	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28	-175	18.5	-31.8	0	0	0	113.9
530	S	63.3	Low	77.8	Confident	99 Å²	99	55.5 Å²	55.5	69%	0.692	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-19.6	177.7	53.3	0	0	0	0	115	E528	E528-S530 PolarHBondContact O-N 2.61Å
531	T	68.2	Low	77.3	Confident	60 Å²	60	56.5 Å²	56.5	37%	0.368	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103.8	-174.1	65.5	0	0	0	0	110.6	K527 E528	K527-T531 PolarHBondContact N-O 3.05Å; E528-T531 PolarHBondContact N-OG1 3.41Å; E528-T531 PolarHBondContact O-N 2.81Å
532	K	73.6	Confident	77	Confident	73 Å²	73	58.6 Å²	58.6	32%	0.317	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.6	176.6	-52.2	-175.8	178.6	165.6	0	108.9	V118 E119 V524 F525 T526	V118-K532 HydrophobicContact CB-CB 4.36Å; V118-K532 HydrophobicContact CB-CD 4.48Å; V118-K532 HydrophobicContact CG1-CB 3.27Å; V118-K532 HydrophobicContact CG1-CD 3.84Å; V118-K532 HydrophobicContact CG1-CG 4.18Å; E119-K532 VanDerWaalsContact CG-NZ 3.35Å; E119-K532 IonicContact OE1-NZ 2.67Å; E119-K532 PolarHBondContact OE1-NZ 3.08Å; V524-K532 HydrophobicContact CG1-CB 4.03Å; F525-K532 WeakPolarHBondContact O-CA 3.24Å; T526-K532 HydrophobicContact CG2-CB 4.24Å; T526-K532 HydrophobicContact CG2-CD 4.1Å; T526-K532 HydrophobicContact CG2-CG 3.74Å
533	T	73.6	Confident	77.1	Confident	71 Å²	71	59.3 Å²	59.3	44%	0.436	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134	-178.3	53.6	0	0	0	0	110.3	F525 L535	F525-T533 PolarHBondContact N-O 2.9Å; F525-T533 PolarHBondContact O-N 3.49Å; F525-T533 PolarHBondContact O-OG1 3.3Å; T533-L535 PolarHBondContact O-N 3.22Å
534	V	74.3	Confident	77.1	Confident	49 Å²	49	59.2 Å²	59.2	30%	0.297	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.6	173.8	-180	0	0	0	0	108.6	F117 R522 V524	F117-V534 HydrophobicContact CE1-CG2 4.38Å; R522-V534 HydrophobicContact CG-CG1 3.6Å; R522-V534 HydrophobicContact CG-CG2 4.46Å; V524-V534 HydrophobicContact CG2-CG2 4.5Å
535	L	71.1	Confident	77.1	Confident	63 Å²	63	59.5 Å²	59.5	33%	0.33	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-46.4	177.4	-69.5	-172.5	0	0	0	112.1	S523 F525 T533 T557	S523-L535 PolarHBondContact O-N 2.91Å; F525-L535 HydrophobicContact CB-CD1 3.57Å; F525-L535 HydrophobicContact CB-CD2 4.27Å; F525-L535 HydrophobicContact CB-CG 3.68Å; F525-L535 HydrophobicContact CG-CD1 4.21Å; T533-L535 PolarHBondContact O-N 3.22Å; L535-T557 HydrophobicContact CD1-CG2 3.72Å
536	H	73.9	Confident	77.2	Confident	39 Å²	39	56.7 Å²	56.7	18%	0.181	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.5	-168.8	-166.9	77.2	0	0	0	112.1	S523 Y538 S603	S523-H536 PolarHBondContact N-O 3.44Å; H536-Y538 AromaticContact CD2-CD1 3.67Å; H536-Y538 AromaticContact CD2-CE1 3.53Å; H536-Y538 AromaticContact CD2-CZ 3.86Å; H536-Y538 AromaticContact NE2-CD1 3.98Å; H536-S603 PolarHBondContact ND1-OG 3.41Å
537	E	80.6	Confident	77.3	Confident	38 Å²	38	56.1 Å²	56.1	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.8	171	-65.2	-171.1	169.9	0	0	109.9	R520 L521 R522 I562 V616	R520-E537 IonicContact CZ-OE2 3.59Å; R520-E537 VanDerWaalsContact CZ-OE2 3.31Å; R520-E537 IonicContact NE-OE2 2.88Å; R520-E537 PolarHBondContact NE-OE2 3.24Å; R520-E537 IonicContact NH2-OE2 3.93Å; R520-E537 PolarHBondContact NH2-OE2 2.73Å; L521-E537 CarbonylContact O-C 3.56Å; L521-E537 VanDerWaalsContact O-CA 3.29Å; L521-E537 WeakPolarHBondContact O-CA 3.45Å; R522-E537 HydrophobicContact CG-CG 4.22Å; R522-E537 IonicContact CZ-OE1 2.85Å; R522-E537 VanDerWaalsContact CZ-OE1 3.22Å; R522-E537 IonicContact NE-OE1 2.91Å; R522-E537 PolarHBondContact NE-OE1 2.85Å; R522-E537 IonicContact NH2-OE1 3.15Å; R522-E537 PolarHBondContact NH2-OE1 2.98Å; E537-I562 HydrophobicContact CG-CD1 4.41Å; E537-V616 VanDerWaalsContact OE2-CG1 3.3Å; E537-V616 WeakPolarHBondContact OE2-CG1 3.43Å
538	Y	83.8	Confident	77.9	Confident	18 Å²	18	49.4 Å²	49.4	7%	0.071	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.4	177.2	-55.2	-78.5	0	0	0	109.5	R520 L521 H536 D542 V544 V559	R520-Y538 CarbonylContact C-O 3.46Å; R520-Y538 WeakPolarHBondContact CA-O 3.34Å; R520-Y538 WeakPolarHBondContact CG-O 3.43Å; L521-Y538 HydrophobicContact CB-CD2 4.18Å; L521-Y538 PolarHBondContact N-O 3.04Å; L521-Y538 PolarHBondContact O-N 3.27Å; H536-Y538 AromaticContact CD2-CD1 3.67Å; H536-Y538 AromaticContact CD2-CE1 3.53Å; H536-Y538 AromaticContact CD2-CZ 3.86Å; H536-Y538 AromaticContact NE2-CD1 3.98Å; Y538-D542 WeakPolarHBondContact CA-OD2 3.4Å; Y538-D542 HydrophobicContact CD1-CB 4.11Å; Y538-V544 HydrophobicContact CD1-CG2 3.85Å; Y538-V544 HydrophobicContact CD2-CG2 3.75Å; Y538-V544 HydrophobicContact CE1-CG2 4.17Å; Y538-V544 HydrophobicContact CE2-CG1 4.23Å; Y538-V544 HydrophobicContact CE2-CG2 4.07Å; Y538-V544 HydrophobicContact CG-CG2 3.62Å; Y538-V559 HydrophobicContact CE2-CG2 4.22Å
539	G	81.8	Confident	78.7	Confident	10 Å²	10	44.8 Å²	44.8	10%	0.103	26%	0.257	C	S	.	.			trans	-97	-168	170.1	0	0	0	0	0	111.8	V516 D542	V516-G539 VanDerWaalsContact CB-O 3.24Å; V516-G539 WeakPolarHBondContact CB-O 3.4Å; V516-G539 WeakPolarHBondContact CG1-O 3.17Å; G539-D542 PolarHBondContact N-OD2 2.89Å; G539-D542 WeakPolarHBondContact O-CB 3.32Å; G539-D542 PolarHBondContact O-N 2.74Å
540	R	81.5	Confident	79.3	Confident	114 Å²	114	39.2 Å²	39.2	43%	0.43	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	137.1	174.4	170.1	174.1	-177.3	-162.3	11.8	111.7	I517 D542 D684	I517-R540 VanDerWaalsContact O-CD 3.32Å; I517-R540 WeakPolarHBondContact O-CD 3.11Å; I517-R540 VanDerWaalsContact O-CG 3.26Å; I517-R540 WeakPolarHBondContact O-CG 3.32Å; I517-R540 PolarHBondContact O-NE 2.61Å; R540-D542 VanDerWaalsContact C-N 3.26Å; R540-D684 VanDerWaalsContact CZ-CG 3.5Å; R540-D684 IonicContact CZ-OD1 2.73Å; R540-D684 IonicContact CZ-OD2 3.57Å; R540-D684 IonicContact NE-OD1 2.71Å; R540-D684 IonicContact NH1-OD1 3.47Å; R540-D684 PolarHBondContact NH1-OD1 3.42Å; R540-D684 IonicContact NH1-OD2 3.16Å; R540-D684 IonicContact NH2-OD1 3.71Å; R540-D684 PolarHBondContact NH2-OD1 2.83Å; R540-D684 IonicContact NH2-OD2 2.71Å; R540-D684 PolarHBondContact NH2-OD2 3.43Å
541	G	78.4	Confident	80.1	Confident	34 Å²	34	35.2 Å²	35.2	35%	0.351	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-21.2	179.2	0	0	0	0	0	113.1	Y268 V516	Y268-G541 PolarHBondContact OH-O 2.88Å; V516-G541 PolarHBondContact O-N 3.41Å
542	D	84.5	Confident	80.8	Confident	45 Å²	45	38.9 Å²	38.9	24%	0.241	21%	0.214	C	C	.	.			trans	-69.6	151.5	-175.7	-61.9	-8.8	0	0	0	112.2	V516 Y538 G539 R540	V516-D542 PolarHBondContact N-O 3.46Å; V516-D542 VanDerWaalsContact N-O 3.09Å; Y538-D542 WeakPolarHBondContact CA-OD2 3.4Å; Y538-D542 HydrophobicContact CD1-CB 4.11Å; G539-D542 PolarHBondContact N-OD2 2.89Å; G539-D542 WeakPolarHBondContact O-CB 3.32Å; G539-D542 PolarHBondContact O-N 2.74Å; R540-D542 VanDerWaalsContact C-N 3.26Å
543	I	87.9	Confident	81.3	Confident	21 Å²	21	40.2 Å²	40.2	11%	0.108	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.9	-178.9	-47.6	172.8	0	0	0	109.8	Y268 F513 Y514 V515 L546 L592	Y268-I543 HydrophobicContact CD1-CD1 3.63Å; Y268-I543 HydrophobicContact CD1-CG1 3.91Å; Y268-I543 HydrophobicContact CE1-CD1 3.79Å; Y268-I543 HydrophobicContact CE1-CG1 3.61Å; F513-I543 HydrophobicContact CD2-CG2 3.85Å; F513-I543 HydrophobicContact CE2-CG2 4.38Å; Y514-I543 WeakPolarHBondContact O-CA 3.42Å; V515-I543 HydrophobicContact CG2-CG1 4.42Å; I543-L546 HydrophobicContact CD1-CD2 4.34Å; I543-L546 HydrophobicContact CG2-CB 3.75Å; I543-L546 HydrophobicContact CG2-CD2 4.28Å; I543-L546 HydrophobicContact CG2-CG 4.46Å; I543-L592 HydrophobicContact CD1-CB 4.38Å; I543-L592 HydrophobicContact CD1-CD1 4.1Å; I543-L592 HydrophobicContact CD1-CD2 4.34Å
544	V	88	Confident	82	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.1	-174.6	-179	0	0	0	0	110.4	Y504 F513 Y514 V516 L521 Y538 L546 V559	Y504-V544 HydrophobicContact CE1-CG1 3.95Å; Y504-V544 WeakPolarHBondContact OH-CG1 3.38Å; F513-V544 WeakPolarHBondContact CA-O 3.41Å; F513-V544 WeakPolarHBondContact CB-O 3.43Å; Y514-V544 PolarHBondContact N-O 3.18Å; Y514-V544 PolarHBondContact O-N 3.33Å; V516-V544 HydrophobicContact CG2-CG2 4.23Å; L521-V544 HydrophobicContact CD1-CG2 4.16Å; Y538-V544 HydrophobicContact CD1-CG2 3.85Å; Y538-V544 HydrophobicContact CD2-CG2 3.75Å; Y538-V544 HydrophobicContact CE1-CG2 4.17Å; Y538-V544 HydrophobicContact CE2-CG1 4.23Å; Y538-V544 HydrophobicContact CE2-CG2 4.07Å; Y538-V544 HydrophobicContact CG-CG2 3.62Å; V544-L546 VanDerWaalsContact C-N 3.26Å; V544-L546 PolarHBondContact O-N 2.95Å; V544-V559 HydrophobicContact CG1-CG1 4.34Å; V544-V559 HydrophobicContact CG1-CG2 4.13Å
545	S	84.7	Confident	82.7	Confident	9 Å²	9	39 Å²	39	6%	0.063	21%	0.214	C	C	.	.	S	Bend	trans	61.3	3.4	-173.8	-77.4	0	0	0	0	118.4	Y504 V547 E548 V549 R555	Y504-S545 VanDerWaalsContact CE1-OG 3.3Å; Y504-S545 WeakPolarHBondContact CE1-OG 3.46Å; Y504-S545 PolarHBondContact OH-OG 3.3Å; S545-V547 VanDerWaalsContact C-N 3.28Å; S545-V547 PolarHBondContact O-N 2.97Å; S545-V547 VanDerWaalsContact O-N 3.15Å; S545-E548 WeakPolarHBondContact CB-OE2 3.45Å; S545-E548 PolarHBondContact O-N 3.31Å; S545-E548 PolarHBondContact OG-OE2 3.44Å; S545-V549 PolarHBondContact O-N 2.84Å; S545-V549 VanDerWaalsContact O-N 3.09Å; S545-R555 VanDerWaalsContact CB-NH1 3.28Å; S545-R555 PolarHBondContact OG-NH1 3.49Å
546	L	84.9	Confident	83.3	Confident	10 Å²	10	38.9 Å²	38.9	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-52.2	-44.9	-175.4	-177.8	63.9	0	0	0	113.3	F513 I543 V544 E548 V549 M550	F513-L546 HydrophobicContact CD1-CD1 4.23Å; F513-L546 HydrophobicContact CD2-CD1 4.21Å; F513-L546 HydrophobicContact CE1-CD1 4.35Å; F513-L546 HydrophobicContact CE2-CD1 4.32Å; F513-L546 HydrophobicContact CG-CD1 4.15Å; F513-L546 HydrophobicContact CZ-CD1 4.37Å; I543-L546 HydrophobicContact CD1-CD2 4.34Å; I543-L546 HydrophobicContact CG2-CB 3.75Å; I543-L546 HydrophobicContact CG2-CD2 4.28Å; I543-L546 HydrophobicContact CG2-CG 4.46Å; V544-L546 VanDerWaalsContact C-N 3.26Å; V544-L546 PolarHBondContact O-N 2.95Å; L546-E548 PolarHBondContact O-N 3.21Å; L546-V549 PolarHBondContact O-N 2.73Å; L546-M550 HydrophobicContact CD1-CG 4.02Å; L546-M550 HydrophobicContact CD1-SD 3.79Å; L546-M550 HydrophobicContact CG-CG 4.48Å; L546-M550 HydrophobicContact CG-SD 4.24Å; L546-M550 WeakPolarHBondContact O-CB 3.45Å; L546-M550 VanDerWaalsContact O-CG 3.28Å; L546-M550 WeakPolarHBondContact O-CG 3.36Å; L546-M550 PolarHBondContact O-N 2.92Å
547	V	82.9	Confident	83.9	Confident	32 Å²	32	37.6 Å²	37.6	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-42.1	-179.9	179.3	0	0	0	0	111.7	S545 M550 A551 I597 L1167	S545-V547 VanDerWaalsContact C-N 3.28Å; S545-V547 PolarHBondContact O-N 2.97Å; S545-V547 VanDerWaalsContact O-N 3.15Å; V547-M550 PolarHBondContact O-N 3.15Å; V547-A551 WeakPolarHBondContact O-CB 3.33Å; V547-A551 PolarHBondContact O-N 3.47Å; V547-I597 HydrophobicContact CG2-CG1 4.41Å; V547-L1167 HydrophobicContact CG1-CD1 4Å; V547-L1167 HydrophobicContact CG1-CD2 4.28Å
548	E	84.8	Confident	84.3	Confident	16 Å²	16	36.7 Å²	36.7	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-43.2	-177.5	-60.9	163.8	171.3	0	0	111.1	A510 S545 L546 V552 Q553 R555 S556	A510-E548 HydrophobicContact CB-CB 3.76Å; S545-E548 WeakPolarHBondContact CB-OE2 3.45Å; S545-E548 PolarHBondContact O-N 3.31Å; S545-E548 PolarHBondContact OG-OE2 3.44Å; L546-E548 PolarHBondContact O-N 3.21Å; E548-V552 WeakPolarHBondContact O-CA 3.48Å; E548-V552 PolarHBondContact O-N 2.68Å; E548-Q553 PolarHBondContact O-N 2.84Å; E548-R555 WeakPolarHBondContact OE2-CD 3.15Å; E548-S556 WeakPolarHBondContact OE1-CB 3.49Å; E548-S556 PolarHBondContact OE1-N 3.46Å; E548-S556 PolarHBondContact OE1-OG 3.22Å
549	V	84.9	Confident	84.7	Confident	11 Å²	11	35.9 Å²	35.9	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-42.9	176	178.3	0	0	0	0	110.7	A510 F513 S545 L546 V552 A572	A510-V549 HydrophobicContact CB-CG2 4.06Å; F513-V549 HydrophobicContact CB-CG2 3.97Å; F513-V549 HydrophobicContact CD1-CG1 4.47Å; S545-V549 PolarHBondContact O-N 2.84Å; S545-V549 VanDerWaalsContact O-N 3.09Å; L546-V549 PolarHBondContact O-N 2.73Å; V549-V552 PolarHBondContact O-N 3.47Å; V549-A572 HydrophobicContact CG1-CB 3.64Å
550	M	79.4	Confident	85	Confident	12 Å²	12	35.9 Å²	35.9	6%	0.059	21%	0.206	C	C	.	.	H	α-helix	trans	-80.7	-17.3	-176.6	-64.5	-157.8	78.9	0	0	114.5	L546 V547 L575 K579 I589 L593 V1171	L546-M550 HydrophobicContact CD1-CG 4.02Å; L546-M550 HydrophobicContact CD1-SD 3.79Å; L546-M550 HydrophobicContact CG-CG 4.48Å; L546-M550 HydrophobicContact CG-SD 4.24Å; L546-M550 WeakPolarHBondContact O-CB 3.45Å; L546-M550 VanDerWaalsContact O-CG 3.28Å; L546-M550 WeakPolarHBondContact O-CG 3.36Å; L546-M550 PolarHBondContact O-N 2.92Å; V547-M550 PolarHBondContact O-N 3.15Å; M550-L575 HydrophobicContact CE-CD2 3.86Å; M550-L575 HydrophobicContact CG-CD2 3.83Å; M550-L575 HydrophobicContact SD-CD2 3.97Å; M550-K579 VanDerWaalsContact CE-CE 3.44Å; M550-K579 VanDerWaalsContact CE-NZ 3.27Å; M550-I589 HydrophobicContact CE-CG2 3.72Å; M550-I589 HydrophobicContact SD-CG2 3.56Å; M550-I589 VanDerWaalsContact SD-CG2 3.56Å; M550-L593 HydrophobicContact CB-CD1 4.47Å; M550-L593 HydrophobicContact SD-CD1 4.24Å; M550-V1171 HydrophobicContact CB-CG2 4.49Å; M550-V1171 HydrophobicContact CE-CB 3.92Å; M550-V1171 HydrophobicContact CE-CG1 3.81Å; M550-V1171 HydrophobicContact CE-CG2 3.43Å; M550-V1171 VanDerWaalsContact CE-CG2 3.43Å; M550-V1171 HydrophobicContact SD-CG2 4.01Å
551	A	80	Confident	85.5	Confident	15 Å²	15	30.5 Å²	30.5	12%	0.124	19%	0.186	C	C	.	.	H	α-helix	trans	-95	-5.8	170	0	0	0	0	0	113.2	V547 Q553 L1167	V547-A551 WeakPolarHBondContact O-CB 3.33Å; V547-A551 PolarHBondContact O-N 3.47Å; A551-Q553 VanDerWaalsContact C-N 3.3Å; A551-Q553 HydrophobicContact CB-CB 4.36Å; A551-Q553 HydrophobicContact CB-CG 3.82Å; A551-Q553 PolarHBondContact O-N 3.48Å; A551-L1167 HydrophobicContact CB-CD2 3.82Å
552	V	81.8	Confident	85.9	Confident	136 Å²	136	29.1 Å²	29.1	82%	0.824	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	51.2	-172.3	-165.7	0	0	0	0	110.5	E548 V549	E548-V552 WeakPolarHBondContact O-CA 3.48Å; E548-V552 PolarHBondContact O-N 2.68Å; V549-V552 PolarHBondContact O-N 3.47Å
553	Q	84.5	Confident	86.1	Confident	102 Å²	102	27.2 Å²	27.2	48%	0.477	16%	0.16	S	C	.	.			trans	-114.3	154	180	-72.9	-176.3	-11.8	0	0	111	A510 E548 A551	A510-Q553 WeakPolarHBondContact CB-O 3.44Å; E548-Q553 PolarHBondContact O-N 2.84Å; A551-Q553 VanDerWaalsContact C-N 3.3Å; A551-Q553 HydrophobicContact CB-CB 4.36Å; A551-Q553 HydrophobicContact CB-CG 3.82Å; A551-Q553 PolarHBondContact O-N 3.48Å
554	P	88.1	Confident	86.2	Confident	79 Å²	79	27.4 Å²	27.4	51%	0.513	16%	0.161	S	C	.	.			trans	-65.6	161.1	172.3	29.5	-35.4	0	0	0	111.6	E508 S556	E508-P554 CarbonylContact O-C 3.58Å; E508-P554 WeakPolarHBondContact O-CA 3.32Å; P554-S556 PolarHBondContact O-N 2.88Å
555	R	89.2	Confident	86.3	Confident	14 Å²	14	27.5 Å²	27.5	5%	0.053	16%	0.161	C	C	.	.			trans	-54.8	121.9	177.2	-53.2	-61	174.5	163.5	-1.7	110	Y504 R505 G507 E508 V509 S512 S545 E548	Y504-R555 HydrophobicContact CD2-CB 3.92Å; Y504-R555 HydrophobicContact CD2-CG 3.56Å; Y504-R555 HydrophobicContact CE2-CB 4.1Å; Y504-R555 HydrophobicContact CE2-CG 4.03Å; Y504-R555 HydrophobicContact CG-CG 4.03Å; R505-R555 WeakPolarHBondContact O-CB 2.96Å; G507-R555 PolarHBondContact N-O 2.98Å; E508-R555 HydrophobicContact CB-CG 3.92Å; E508-R555 WeakPolarHBondContact O-CG 3.14Å; E508-R555 PolarHBondContact O-N 2.93Å; V509-R555 PolarHBondContact O-NE 2.99Å; V509-R555 PolarHBondContact O-NH2 3.04Å; S512-R555 PolarHBondContact O-NH1 3.45Å; S512-R555 PolarHBondContact O-NH2 3.31Å; S545-R555 VanDerWaalsContact CB-NH1 3.28Å; S545-R555 PolarHBondContact OG-NH1 3.49Å; E548-R555 WeakPolarHBondContact OE2-CD 3.15Å
556	S	84.2	Confident	86.5	Confident	61 Å²	61	27.7 Å²	27.7	43%	0.427	16%	0.161	S	C	.	.	S	Bend	trans	-76	-29.9	-178.6	-62.8	0	0	0	0	111.8	Q506 E548 P554	Q506-S556 WeakPolarHBondContact CG-O 3.38Å; E548-S556 WeakPolarHBondContact OE1-CB 3.49Å; E548-S556 PolarHBondContact OE1-N 3.46Å; E548-S556 PolarHBondContact OE1-OG 3.22Å; P554-S556 PolarHBondContact O-N 2.88Å
557	T	86.4	Confident	86.8	Confident	13 Å²	13	27.2 Å²	27.2	8%	0.08	16%	0.159	C	C	.	.	S	Bend	trans	-135.3	164.7	-177.6	63.9	0	0	0	0	111	Y504 Q506 S523 F525 L535	Y504-T557 WeakPolarHBondContact CE2-O 3.47Å; Q506-T557 PolarHBondContact N-O 3.24Å; S523-T557 VanDerWaalsContact OG-CB 3.24Å; S523-T557 WeakPolarHBondContact OG-CB 3.28Å; S523-T557 WeakPolarHBondContact OG-CG2 3.46Å; S523-T557 PolarHBondContact OG-OG1 2.88Å; F525-T557 HydrophobicContact CB-CG2 4.33Å; F525-T557 HydrophobicContact CD2-CG2 4.33Å; L535-T557 HydrophobicContact CD1-CG2 3.72Å
558	S	89.6	Confident	87.2	Confident	19 Å²	19	25.8 Å²	25.8	13%	0.133	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.6	168.4	-55.2	0	0	0	0	108.7	Q506 V524	Q506-S558 PolarHBondContact N-OG 3.21Å; V524-S558 PolarHBondContact N-O 2.8Å; V524-S558 PolarHBondContact O-N 2.81Å
559	V	90.7	Very high	87.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.1	179.3	175.1	0	0	0	0	110.2	A502 L503 Y504 L521 R522 Y538 V544	A502-V559 CarbonylContact C-O 3.55Å; A502-V559 VanDerWaalsContact CA-O 3.31Å; A502-V559 WeakPolarHBondContact CA-O 3.43Å; L503-V559 HydrophobicContact CB-CB 4.46Å; L503-V559 HydrophobicContact CB-CG1 4.34Å; L503-V559 HydrophobicContact CD2-CG1 4.38Å; L503-V559 PolarHBondContact N-O 3.25Å; Y504-V559 HydrophobicContact CD2-CB 4.46Å; Y504-V559 HydrophobicContact CE1-CB 4.27Å; Y504-V559 HydrophobicContact CE1-CG2 4.34Å; Y504-V559 HydrophobicContact CE2-CB 3.88Å; Y504-V559 HydrophobicContact CE2-CG2 3.58Å; Y504-V559 VanDerWaalsContact CZ-CG2 3.44Å; Y504-V559 PolarHBondContact O-N 2.85Å; Y504-V559 VanDerWaalsContact O-N 3.12Å; Y504-V559 VanDerWaalsContact OH-CG2 3.24Å; Y504-V559 WeakPolarHBondContact OH-CG2 3.35Å; L521-V559 HydrophobicContact CB-CG1 3.78Å; L521-V559 HydrophobicContact CD1-CG1 3.89Å; L521-V559 HydrophobicContact CG-CG1 4.3Å; R522-V559 CarbonylContact O-C 3.44Å; R522-V559 WeakPolarHBondContact O-CA 3.2Å; Y538-V559 HydrophobicContact CE2-CG2 4.22Å; V544-V559 HydrophobicContact CG1-CG1 4.34Å; V544-V559 HydrophobicContact CG1-CG2 4.13Å
560	I	89.8	Confident	87.9	Confident	11 Å²	11	26 Å²	26	6%	0.056	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.6	-173.1	-47.4	176.7	0	0	0	109.5	V118 A120 L521 R522 V524	V118-I560 WeakPolarHBondContact O-CD1 3.42Å; A120-I560 HydrophobicContact CB-CD1 4.12Å; A120-I560 HydrophobicContact CB-CG1 4.17Å; A120-I560 HydrophobicContact CB-CG2 4.31Å; L521-I560 CarbonylContact C-O 3.6Å; L521-I560 WeakPolarHBondContact CA-O 3.35Å; R522-I560 PolarHBondContact N-O 3.29Å; R522-I560 PolarHBondContact O-N 2.8Å; V524-I560 HydrophobicContact CG2-CD1 3.92Å
561	A	90.8	Very high	88.5	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.3	174.8	0	0	0	0	0	111.5	E498 G500 K501 L521 T565	E498-A561 WeakPolarHBondContact O-CB 3.37Å; G500-A561 PolarHBondContact N-O 3.44Å; K501-A561 PolarHBondContact O-N 2.92Å; L521-A561 HydrophobicContact CD2-CB 3.79Å; A561-T565 HydrophobicContact CB-CG2 4.23Å
562	I	87.4	Confident	88.8	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-74.3	-43.3	175.6	-64.9	172.3	0	0	0	109.6	S499 R520 R522 E537 A737	S499-I562 PolarHBondContact OG-O 3.14Å; R520-I562 HydrophobicContact CB-CB 4.35Å; R520-I562 HydrophobicContact CB-CD1 4.4Å; R520-I562 HydrophobicContact CG-CD1 3.88Å; R520-I562 WeakPolarHBondContact O-CB 3.44Å; R520-I562 PolarHBondContact O-N 2.96Å; R522-I562 HydrophobicContact CB-CD1 4.03Å; R522-I562 HydrophobicContact CB-CG1 3.99Å; E537-I562 HydrophobicContact CG-CD1 4.41Å; I562-A737 HydrophobicContact CG2-CB 4.34Å
563	R	89.2	Confident	89.2	Confident	6 Å²	6	20.6 Å²	20.6	2%	0.023	12%	0.12	C	C	.	.	S	Bend	trans	-131.3	173.3	179.7	60.8	169.3	176.1	116.7	-19	109.8	R520 T565 E683 R706 R707 D709	R520-R563 HydrophobicContact CB-CG 4.11Å; R563-T565 HydrophobicContact CG-CG2 4.47Å; R563-T565 WeakPolarHBondContact O-CG2 3.47Å; R563-T565 PolarHBondContact O-N 3.07Å; R563-E683 IonicContact CZ-OE2 3.37Å; R563-E683 IonicContact NH1-OE1 3.77Å; R563-E683 IonicContact NH1-OE2 2.65Å; R563-E683 PolarHBondContact NH1-OE2 3.45Å; R563-E683 IonicContact NH2-OE2 2.8Å; R563-E683 PolarHBondContact NH2-OE2 3.38Å; R563-R706 WeakPolarHBondContact CA-O 3.23Å; R563-R706 WeakPolarHBondContact CB-O 3.49Å; R563-R707 WeakPolarHBondContact CD-O 3.3Å; R563-D709 VanDerWaalsContact CD-OD1 3.27Å; R563-D709 WeakPolarHBondContact CD-OD1 3.41Å; R563-D709 IonicContact CZ-OD1 3.54Å; R563-D709 IonicContact NE-OD1 3.01Å; R563-D709 PolarHBondContact NE-OD1 2.87Å; R563-D709 IonicContact NH2-OD1 2.7Å
564	D	88.7	Confident	89.4	Confident	25 Å²	25	15.8 Å²	15.8	13%	0.134	10%	0.097	C	C	.	.			trans	-57.6	124.8	171.5	-65.3	-18.4	0	0	0	109.5	E498 S499 R706	E498-D564 WeakPolarHBondContact CA-OD1 3.34Å; S499-D564 PolarHBondContact N-OD1 3.42Å; D564-R706 PolarHBondContact N-O 3.36Å; D564-R706 IonicContact OD1-CZ 2.67Å; D564-R706 VanDerWaalsContact OD1-CZ 3.32Å; D564-R706 IonicContact OD1-NE 2.99Å; D564-R706 PolarHBondContact OD1-NE 2.94Å; D564-R706 VanDerWaalsContact OD1-NE 3.15Å; D564-R706 IonicContact OD1-NH2 3.78Å; D564-R706 PolarHBondContact OD1-NH2 2.78Å; D564-R706 WeakPolarHBondContact OD2-CB 3.47Å; D564-R706 IonicContact OD2-CZ 3.03Å; D564-R706 IonicContact OD2-NE 2.65Å; D564-R706 PolarHBondContact OD2-NE 3.44Å; D564-R706 IonicContact OD2-NH1 3.49Å; D564-R706 IonicContact OD2-NH2 3.34Å; D564-R706 PolarHBondContact OD2-NH2 3.22Å
565	T	90	Very high	89.3	Confident	1 Å²	1	12.4 Å²	12.4	1%	0.006	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.6	-171.2	57.5	0	0	0	0	110.9	I496 C497 S518 G519 R520 L521 A561 R563	I496-T565 CarbonylContact C-O 3.59Å; I496-T565 WeakPolarHBondContact CA-O 3.09Å; C497-T565 WeakPolarHBondContact CB-OG1 3.48Å; C497-T565 PolarHBondContact N-O 3.5Å; C497-T565 PolarHBondContact O-N 3.06Å; C497-T565 PolarHBondContact O-OG1 3.35Å; S518-T565 CarbonylContact O-C 3.49Å; S518-T565 WeakPolarHBondContact O-CA 3.47Å; G519-T565 VanDerWaalsContact CA-CG2 3.49Å; R520-T565 WeakPolarHBondContact O-CG2 3.29Å; L521-T565 HydrophobicContact CD2-CG2 3.7Å; L521-T565 HydrophobicContact CG-CG2 4.33Å; A561-T565 HydrophobicContact CB-CG2 4.23Å; R563-T565 HydrophobicContact CG-CG2 4.47Å; R563-T565 WeakPolarHBondContact O-CG2 3.47Å; R563-T565 PolarHBondContact O-N 3.07Å
566	E	88.8	Confident	89.1	Confident	13 Å²	13	16.2 Å²	16.2	6%	0.061	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.6	175.1	-67.4	171.9	-151.7	0	0	108.5	I517 S518 V676 R707	I517-E566 HydrophobicContact CB-CB 4.46Å; I517-E566 WeakPolarHBondContact CB-O 3.45Å; I517-E566 PolarHBondContact N-O 3.33Å; S518-E566 PolarHBondContact N-O 2.8Å; S518-E566 PolarHBondContact O-N 3.42Å; E566-V676 WeakPolarHBondContact OE1-CG1 3.47Å; E566-R707 IonicContact OE1-NH2 2.79Å
567	L	92	Very high	89.2	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.2	-172.5	-55.5	176	0	0	0	110.8	E495 C497 L503 Y514 V515 V516 L521	E495-L567 PolarHBondContact N-O 2.78Å; E495-L567 PolarHBondContact O-N 2.9Å; C497-L567 HydrophobicContact CB-CD1 4.3Å; L503-L567 HydrophobicContact CD1-CD1 3.38Å; L503-L567 HydrophobicContact CD2-CD1 3.71Å; L503-L567 HydrophobicContact CG-CD1 4.14Å; Y514-L567 HydrophobicContact CD1-CB 4.27Å; Y514-L567 HydrophobicContact CD1-CD1 4.2Å; V515-L567 CarbonylContact O-C 3.17Å; V515-L567 VanDerWaalsContact O-CA 3.32Å; V515-L567 WeakPolarHBondContact O-CA 3.33Å; V516-L567 HydrophobicContact CB-CD2 4.16Å; V516-L567 HydrophobicContact CG1-CD2 4.28Å; V516-L567 HydrophobicContact CG2-CD2 3.83Å; L521-L567 HydrophobicContact CD1-CD1 4.41Å; L521-L567 HydrophobicContact CD1-CD2 3.94Å
568	C	91.5	Very high	89.2	Confident	3 Å²	3	12.8 Å²	12.8	2%	0.02	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118	160.9	-178.1	0	0	0	0	107.9	V260 D493 Y514 V515 I517 L570	V260-C568 HydrophobicContact CG1-CB 3.89Å; V260-C568 WeakPolarHBondContact CG1-SG 3.38Å; D493-C568 WeakPolarHBondContact O-CA 3.27Å; Y514-C568 CarbonylContact C-O 3.6Å; Y514-C568 WeakPolarHBondContact CA-O 2.96Å; V515-C568 HydrophobicContact CB-CB 4.13Å; V515-C568 PolarHBondContact N-O 3.05Å; V515-C568 PolarHBondContact O-N 2.91Å; I517-C568 HydrophobicContact CD1-CB 4Å; I517-C568 HydrophobicContact CG1-CB 4.19Å; C568-L570 HydrophobicContact CB-CD1 4.18Å; C568-L570 VanDerWaalsContact SG-CD1 3.51Å
569	K	92	Very high	88.9	Confident	31 Å²	31	13.2 Å²	13.2	14%	0.135	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.3	175.1	174.1	-172.2	-169.8	-178.5	0	108.5	E195 D493 Y514	E195-K569 IonicContact OE1-NZ 2.68Å; D493-K569 HydrophobicContact CB-CB 4.03Å; D493-K569 HydrophobicContact CB-CD 4.21Å; D493-K569 HydrophobicContact CB-CG 4.5Å; D493-K569 PolarHBondContact N-O 3.03Å; D493-K569 VanDerWaalsContact N-O 3.14Å; D493-K569 PolarHBondContact O-N 2.95Å; Y514-K569 HydrophobicContact CD1-CB 3.76Å; Y514-K569 HydrophobicContact CD1-CG 4.15Å; Y514-K569 HydrophobicContact CE1-CB 3.58Å; Y514-K569 HydrophobicContact CE1-CD 3.98Å; Y514-K569 HydrophobicContact CE1-CG 3.58Å
570	L	91.8	Very high	88.5	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.8	178	-70.4	92.3	0	0	0	109.8	F269 L492 S512 F513 V515 C568	F269-L570 HydrophobicContact CD2-CD2 4.43Å; F269-L570 HydrophobicContact CE2-CD2 3.51Å; F269-L570 HydrophobicContact CZ-CD2 3.86Å; L492-L570 HydrophobicContact CD2-CD2 3.94Å; L492-L570 HydrophobicContact CD2-CG 3.67Å; S512-L570 VanDerWaalsContact CA-O 3.27Å; S512-L570 WeakPolarHBondContact CA-O 3.46Å; S512-L570 WeakPolarHBondContact CB-O 3.38Å; F513-L570 HydrophobicContact CD1-CB 4.03Å; F513-L570 HydrophobicContact CD2-CB 4.11Å; F513-L570 HydrophobicContact CD2-CD1 4.34Å; F513-L570 HydrophobicContact CE1-CB 3.6Å; F513-L570 HydrophobicContact CE1-CD2 4.44Å; F513-L570 HydrophobicContact CE2-CB 3.7Å; F513-L570 HydrophobicContact CE2-CD1 3.87Å; F513-L570 HydrophobicContact CE2-CD2 3.79Å; F513-L570 HydrophobicContact CE2-CG 3.98Å; F513-L570 HydrophobicContact CG-CB 4.28Å; F513-L570 HydrophobicContact CZ-CB 3.43Å; F513-L570 VanDerWaalsContact CZ-CB 3.43Å; F513-L570 HydrophobicContact CZ-CD1 4.35Å; F513-L570 HydrophobicContact CZ-CD2 3.54Å; F513-L570 HydrophobicContact CZ-CG 3.94Å; F513-L570 PolarHBondContact N-O 3.4Å; F513-L570 PolarHBondContact O-N 3.22Å; V515-L570 HydrophobicContact CB-CD1 4.39Å; V515-L570 HydrophobicContact CG2-CD1 3.89Å; C568-L570 HydrophobicContact CB-CD1 4.18Å; C568-L570 VanDerWaalsContact SG-CD1 3.51Å
571	Q	91.3	Very high	88.1	Confident	17 Å²	17	17.3 Å²	17.3	8%	0.079	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.5	-178.6	-58.5	-68.8	-18.2	0	0	111.2	V188 K189 A491 D493 G573 L574 L575	V188-Q571 WeakPolarHBondContact O-CB 3.29Å; K189-Q571 HydrophobicContact CB-CG 4.15Å; K189-Q571 HydrophobicContact CG-CG 4.09Å; A491-Q571 WeakPolarHBondContact O-CG 3.39Å; D493-Q571 PolarHBondContact OD2-NE2 3.14Å; Q571-G573 PolarHBondContact O-N 3.22Å; Q571-L574 WeakPolarHBondContact O-CB 3.5Å; Q571-L574 PolarHBondContact O-N 2.83Å; Q571-L574 VanDerWaalsContact O-N 3.09Å; Q571-L575 PolarHBondContact O-N 3.26Å
572	A	88	Confident	87.7	Confident	23 Å²	23	19.9 Å²	19.9	19%	0.19	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-33.5	176.6	0	0	0	0	0	112.6	D511 V549 L574 L575 Q576	D511-A572 WeakPolarHBondContact O-CB 3.15Å; D511-A572 PolarHBondContact O-N 3.09Å; V549-A572 HydrophobicContact CG1-CB 3.64Å; A572-L574 VanDerWaalsContact C-N 3.3Å; A572-L574 PolarHBondContact O-N 3.33Å; A572-L575 WeakPolarHBondContact O-CB 3.44Å; A572-L575 PolarHBondContact O-N 3.24Å; A572-L575 VanDerWaalsContact O-N 3.12Å; A572-Q576 PolarHBondContact O-N 2.84Å
573	G	88.6	Confident	87.3	Confident	10 Å²	10	22.9 Å²	22.9	10%	0.103	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-36	176.2	0	0	0	0	0	113.3	E187 Q571 Q576 L577	E187-G573 WeakPolarHBondContact O-CA 3.33Å; Q571-G573 PolarHBondContact O-N 3.22Å; G573-Q576 PolarHBondContact O-N 3.15Å; G573-L577 PolarHBondContact O-N 2.8Å
574	L	89.4	Confident	86.7	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-40.8	173.4	-178.3	62.3	0	0	0	111.2	V188 F269 A488 A491 L492 Q571 A572 Q576 L577 V578	V188-L574 HydrophobicContact CG1-CB 3.87Å; V188-L574 HydrophobicContact CG1-CD1 4.17Å; F269-L574 HydrophobicContact CE2-CD2 4.1Å; F269-L574 HydrophobicContact CZ-CD2 4.12Å; F269-L574 HydrophobicContact CZ-CG 4.16Å; A488-L574 HydrophobicContact CB-CD1 4.01Å; A491-L574 HydrophobicContact CB-CB 4.18Å; A491-L574 HydrophobicContact CB-CD1 4.27Å; A491-L574 HydrophobicContact CB-CD2 4.11Å; A491-L574 HydrophobicContact CB-CG 4.41Å; L492-L574 HydrophobicContact CD2-CD2 3.78Å; L492-L574 HydrophobicContact CG-CD2 4.14Å; Q571-L574 WeakPolarHBondContact O-CB 3.5Å; Q571-L574 PolarHBondContact O-N 2.83Å; Q571-L574 VanDerWaalsContact O-N 3.09Å; A572-L574 VanDerWaalsContact C-N 3.3Å; A572-L574 PolarHBondContact O-N 3.33Å; L574-Q576 VanDerWaalsContact C-N 3.34Å; L574-Q576 PolarHBondContact O-N 3.03Å; L574-L577 HydrophobicContact CD1-CD2 4.31Å; L574-L577 WeakPolarHBondContact O-CB 3.48Å; L574-L577 PolarHBondContact O-N 3.16Å; L574-V578 HydrophobicContact CD1-CG2 4.42Å; L574-V578 WeakPolarHBondContact O-CG2 3.05Å; L574-V578 PolarHBondContact O-N 3.01Å
575	L	86.7	Confident	86.1	Confident	8 Å²	8	26.3 Å²	26.3	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-42	177	-175.1	63.5	0	0	0	111.7	F269 F513 M550 Q571 A572 V578 K579 I589	F269-L575 HydrophobicContact CE1-CD1 3.82Å; F513-L575 HydrophobicContact CE1-CD2 4.33Å; M550-L575 HydrophobicContact CE-CD2 3.86Å; M550-L575 HydrophobicContact CG-CD2 3.83Å; M550-L575 HydrophobicContact SD-CD2 3.97Å; Q571-L575 PolarHBondContact O-N 3.26Å; A572-L575 WeakPolarHBondContact O-CB 3.44Å; A572-L575 PolarHBondContact O-N 3.24Å; A572-L575 VanDerWaalsContact O-N 3.12Å; L575-V578 PolarHBondContact O-N 3.04Å; L575-K579 VanDerWaalsContact O-CG 3.26Å; L575-K579 WeakPolarHBondContact O-CG 3.23Å; L575-K579 PolarHBondContact O-N 3.04Å; L575-I589 HydrophobicContact CD1-CD1 3.57Å; L575-I589 HydrophobicContact CD1-CG1 4.43Å
576	Q	84.2	Confident	85.4	Confident	94 Å²	94	27.6 Å²	27.6	44%	0.439	15%	0.148	S	C	.	.	H	α-helix	trans	-63.6	-43.1	175.1	-68.6	177.8	-7.5	0	0	112.1	A572 G573 L574 K579 S580	A572-Q576 PolarHBondContact O-N 2.84Å; G573-Q576 PolarHBondContact O-N 3.15Å; L574-Q576 VanDerWaalsContact C-N 3.34Å; L574-Q576 PolarHBondContact O-N 3.03Å; Q576-K579 PolarHBondContact O-N 3.12Å; Q576-S580 PolarHBondContact O-N 3.07Å
577	L	86.7	Confident	84.8	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-51.2	174.2	176.4	67.5	0	0	0	110.8	I179 A181 F186 V188 F484 G573 L574 K579 S580 V581	I179-L577 HydrophobicContact CB-CD2 4.03Å; I179-L577 HydrophobicContact CD1-CD2 4.03Å; I179-L577 HydrophobicContact CG2-CD2 3.94Å; A181-L577 HydrophobicContact CB-CD1 3.89Å; F186-L577 HydrophobicContact CB-CB 4.34Å; F186-L577 HydrophobicContact CB-CD1 4.24Å; F186-L577 HydrophobicContact CD2-CD1 3.6Å; F186-L577 HydrophobicContact CE2-CD1 4.23Å; F186-L577 HydrophobicContact CG-CB 4.38Å; F186-L577 HydrophobicContact CG-CD1 4.03Å; V188-L577 HydrophobicContact CG2-CD2 4.15Å; F484-L577 HydrophobicContact CE2-CD2 4.42Å; G573-L577 PolarHBondContact O-N 2.8Å; L574-L577 HydrophobicContact CD1-CD2 4.31Å; L574-L577 WeakPolarHBondContact O-CB 3.48Å; L574-L577 PolarHBondContact O-N 3.16Å; L577-K579 PolarHBondContact O-N 2.79Å; L577-S580 PolarHBondContact O-N 2.91Å; L577-S580 VanDerWaalsContact O-N 3.09Å; L577-S580 PolarHBondContact O-OG 2.93Å; L577-V581 HydrophobicContact CD1-CG2 3.9Å; L577-V581 HydrophobicContact CG-CG2 4.43Å; L577-V581 WeakPolarHBondContact O-CG2 3.33Å; L577-V581 PolarHBondContact O-N 3.1Å
578	V	85.5	Confident	84.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-45.8	-179	172.6	0	0	0	0	111.7	F269 F271 F484 L574 L575 S580 V581 Y582 V585	F269-V578 HydrophobicContact CD1-CB 4.12Å; F269-V578 HydrophobicContact CD1-CG1 3.74Å; F269-V578 HydrophobicContact CD1-CG2 4.05Å; F269-V578 HydrophobicContact CE1-CB 4.03Å; F269-V578 HydrophobicContact CE1-CG1 4.16Å; F269-V578 HydrophobicContact CE1-CG2 3.87Å; F269-V578 HydrophobicContact CG-CG1 4.48Å; F269-V578 HydrophobicContact CZ-CG2 4.26Å; F271-V578 HydrophobicContact CE2-CG1 4.18Å; F271-V578 HydrophobicContact CE2-CG2 4.27Å; F271-V578 HydrophobicContact CZ-CG1 3.76Å; F271-V578 HydrophobicContact CZ-CG2 4.29Å; F484-V578 HydrophobicContact CE2-CG2 4.44Å; F484-V578 HydrophobicContact CZ-CG2 3.79Å; L574-V578 HydrophobicContact CD1-CG2 4.42Å; L574-V578 WeakPolarHBondContact O-CG2 3.05Å; L574-V578 PolarHBondContact O-N 3.01Å; L575-V578 PolarHBondContact O-N 3.04Å; V578-S580 PolarHBondContact O-N 3.05Å; V578-V581 PolarHBondContact O-N 2.7Å; V578-Y582 CarbonylContact O-C 3.57Å; V578-Y582 WeakPolarHBondContact O-CA 3.42Å; V578-Y582 PolarHBondContact O-N 2.95Å; V578-V585 HydrophobicContact CG1-CB 3.96Å; V578-V585 HydrophobicContact CG1-CG1 3.72Å; V578-V585 HydrophobicContact CG1-CG2 4.08Å
579	K	83	Confident	83.6	Confident	27 Å²	27	32.5 Å²	32.5	12%	0.117	18%	0.181	C	C	.	.	H	α-helix	trans	-55.1	-36.9	176.1	-74.6	177.2	178.4	-165.2	0	112.5	M550 L575 Q576 L577 L586 V1171	M550-K579 VanDerWaalsContact CE-CE 3.44Å; M550-K579 VanDerWaalsContact CE-NZ 3.27Å; L575-K579 VanDerWaalsContact O-CG 3.26Å; L575-K579 WeakPolarHBondContact O-CG 3.23Å; L575-K579 PolarHBondContact O-N 3.04Å; Q576-K579 PolarHBondContact O-N 3.12Å; L577-K579 PolarHBondContact O-N 2.79Å; K579-L586 HydrophobicContact CG-CD1 4.36Å; K579-V1171 WeakPolarHBondContact CE-O 3.46Å; K579-V1171 PolarHBondContact NZ-O 2.99Å
580	S	82.5	Confident	83	Confident	42 Å²	42	33.2 Å²	33.2	29%	0.294	19%	0.186	S	C	.	.	H	α-helix	trans	-79.7	-33	-177.6	79.2	0	0	0	0	114	F186 Q576 L577 V578	F186-S580 WeakPolarHBondContact CE2-OG 3.36Å; F186-S580 VanDerWaalsContact CZ-OG 3.24Å; F186-S580 WeakPolarHBondContact CZ-OG 3.31Å; Q576-S580 PolarHBondContact O-N 3.07Å; L577-S580 PolarHBondContact O-N 2.91Å; L577-S580 VanDerWaalsContact O-N 3.09Å; L577-S580 PolarHBondContact O-OG 2.93Å; V578-S580 PolarHBondContact O-N 3.05Å
581	V	81.8	Confident	82.4	Confident	56 Å²	56	38.8 Å²	38.8	34%	0.339	21%	0.212	S	C	.	.	H	α-helix	trans	-93.3	-39.5	-174.9	-178.2	0	0	0	0	111.6	A181 L577 V578	A181-V581 HydrophobicContact CB-CG2 3.63Å; L577-V581 HydrophobicContact CD1-CG2 3.9Å; L577-V581 HydrophobicContact CG-CG2 4.43Å; L577-V581 WeakPolarHBondContact O-CG2 3.33Å; L577-V581 PolarHBondContact O-N 3.1Å; V578-V581 PolarHBondContact O-N 2.7Å
582	Y	83.1	Confident	81.7	Confident	54 Å²	54	39.5 Å²	39.5	21%	0.212	22%	0.216	C	C	.	.			trans	-129.8	72.4	-174	-60.8	-69.8	0	0	0	110.5	F271 E274 F484 V578 Q584 V585	F271-Y582 HydrophobicContact CE1-CD1 4.2Å; F271-Y582 AromaticContact CE1-CD2 3.52Å; F271-Y582 HydrophobicContact CE1-CD2 3.52Å; F271-Y582 HydrophobicContact CE1-CE2 4.12Å; F271-Y582 AromaticContact CE1-CG 3.55Å; F271-Y582 HydrophobicContact CE1-CG 3.55Å; F271-Y582 AromaticContact CZ-CD2 3.54Å; F271-Y582 HydrophobicContact CZ-CD2 3.54Å; F271-Y582 HydrophobicContact CZ-CE2 4.21Å; F271-Y582 AromaticContact CZ-CG 3.97Å; F271-Y582 HydrophobicContact CZ-CG 3.97Å; E274-Y582 HydrophobicContact CG-CE1 4.38Å; F484-Y582 HydrophobicContact CB-CE2 4.4Å; F484-Y582 AromaticContact CD1-CE2 3.74Å; F484-Y582 HydrophobicContact CD1-CE2 3.74Å; F484-Y582 AromaticContact CD2-CE2 3.74Å; F484-Y582 HydrophobicContact CD2-CE2 3.74Å; F484-Y582 HydrophobicContact CE1-CD2 4.33Å; F484-Y582 AromaticContact CE1-CE2 3.94Å; F484-Y582 HydrophobicContact CE1-CE2 3.94Å; F484-Y582 HydrophobicContact CE2-CD2 4.34Å; F484-Y582 AromaticContact CE2-CE2 3.92Å; F484-Y582 HydrophobicContact CE2-CE2 3.92Å; F484-Y582 AromaticContact CG-CE2 3.65Å; F484-Y582 HydrophobicContact CG-CE2 3.65Å; F484-Y582 HydrophobicContact CZ-CD2 4.24Å; F484-Y582 HydrophobicContact CZ-CE2 4.04Å; V578-Y582 CarbonylContact O-C 3.57Å; V578-Y582 WeakPolarHBondContact O-CA 3.42Å; V578-Y582 PolarHBondContact O-N 2.95Å; Y582-Q584 PolarHBondContact O-N 3.23Å; Y582-Q584 VanDerWaalsContact O-N 3.11Å; Y582-V585 VanDerWaalsContact O-CB 3.3Å; Y582-V585 WeakPolarHBondContact O-CB 3.24Å; Y582-V585 WeakPolarHBondContact O-CG2 3.35Å; Y582-V585 PolarHBondContact O-N 2.96Å; Y582-V585 VanDerWaalsContact O-N 3.11Å
583	P	77.9	Confident	81.2	Confident	68 Å²	68	38.4 Å²	38.4	44%	0.442	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.3	-177.7	27.1	-35.6	0	0	0	113.2	V585 L586	P583-V585 PolarHBondContact O-N 2.96Å; P583-L586 WeakPolarHBondContact O-CB 3.41Å; P583-L586 PolarHBondContact O-N 2.83Å
584	Q	77	Confident	80.5	Confident	98 Å²	98	39.2 Å²	39.2	46%	0.458	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.9	174.7	72	-83.5	18.9	0	0	112.8	E274 Y582 L586 S587	E274-Q584 PolarHBondContact OE1-NE2 3.42Å; Y582-Q584 PolarHBondContact O-N 3.23Å; Y582-Q584 VanDerWaalsContact O-N 3.11Å; Q584-L586 PolarHBondContact O-N 3.39Å; Q584-S587 PolarHBondContact O-N 3.32Å
585	V	75.8	Confident	79.6	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-23.7	176.9	171.7	0	0	0	0	111.9	F269 F271 V578 Y582 P583 S587 H588 I589	F269-V585 HydrophobicContact CB-CG1 3.88Å; F269-V585 HydrophobicContact CD1-CG1 3.96Å; F269-V585 HydrophobicContact CG-CG1 4.44Å; F269-V585 WeakPolarHBondContact O-CB 3.26Å; F269-V585 WeakPolarHBondContact O-CG1 3.44Å; F269-V585 WeakPolarHBondContact O-CG2 3.36Å; F271-V585 HydrophobicContact CD1-CG2 4.09Å; F271-V585 HydrophobicContact CE1-CG2 3.52Å; F271-V585 HydrophobicContact CE2-CG2 4.45Å; F271-V585 HydrophobicContact CZ-CG2 3.74Å; V578-V585 HydrophobicContact CG1-CB 3.96Å; V578-V585 HydrophobicContact CG1-CG1 3.72Å; V578-V585 HydrophobicContact CG1-CG2 4.08Å; Y582-V585 VanDerWaalsContact O-CB 3.3Å; Y582-V585 WeakPolarHBondContact O-CB 3.24Å; Y582-V585 WeakPolarHBondContact O-CG2 3.35Å; Y582-V585 PolarHBondContact O-N 2.96Å; Y582-V585 VanDerWaalsContact O-N 3.11Å; P583-V585 PolarHBondContact O-N 2.96Å; V585-S587 VanDerWaalsContact C-N 3.25Å; V585-S587 PolarHBondContact O-N 3.47Å; V585-H588 WeakPolarHBondContact O-CB 3.45Å; V585-H588 PolarHBondContact O-N 3.31Å; V585-I589 HydrophobicContact CG1-CD1 3.73Å; V585-I589 HydrophobicContact CG1-CG1 4.04Å; V585-I589 PolarHBondContact O-N 2.91Å
586	L	75.4	Confident	78.7	Confident	28 Å²	28	44.5 Å²	44.5	15%	0.147	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-38.4	-178.4	-172.3	67.5	0	0	0	112.2	K579 P583 Q584 H588 I589 I590 V1171 A1172	K579-L586 HydrophobicContact CG-CD1 4.36Å; P583-L586 WeakPolarHBondContact O-CB 3.41Å; P583-L586 PolarHBondContact O-N 2.83Å; Q584-L586 PolarHBondContact O-N 3.39Å; L586-H588 VanDerWaalsContact C-N 3.28Å; L586-H588 PolarHBondContact O-N 3.43Å; L586-I589 PolarHBondContact O-N 2.83Å; L586-I590 HydrophobicContact CG-CD1 4.06Å; L586-I590 VanDerWaalsContact O-CG1 3.25Å; L586-I590 WeakPolarHBondContact O-CG1 3.44Å; L586-I590 PolarHBondContact O-N 3.17Å; L586-V1171 HydrophobicContact CD1-CG1 3.39Å; L586-V1171 WeakPolarHBondContact CD1-O 3.32Å; L586-V1171 HydrophobicContact CG-CG1 4.29Å; L586-A1172 HydrophobicContact CD2-CB 3.89Å
587	S	77.1	Confident	78.1	Confident	90 Å²	90	41.6 Å²	41.6	63%	0.629	23%	0.228	S	C	*	.	H	α-helix	trans	-60.3	-41.5	176.9	-172.5	0	0	0	0	111.3	Q584 V585 I590 H591	Q584-S587 PolarHBondContact O-N 3.32Å; V585-S587 VanDerWaalsContact C-N 3.25Å; V585-S587 PolarHBondContact O-N 3.47Å; S587-I590 PolarHBondContact O-N 3.38Å; S587-H591 PolarHBondContact O-N 2.96Å
588	H	77.6	Confident	77	Confident	24 Å²	24	42.5 Å²	42.5	11%	0.111	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-43.6	177.4	-176.9	53.6	0	0	0	112	N267 Y268 G270 V585 L586 I590 H591 L592	N267-H588 PolarHBondContact O-CE1 3.03Å; N267-H588 PolarHBondContact O-NE2 3.2Å; Y268-H588 PolarHBondContact O-CD2 3.24Å; G270-H588 PolarHBondContact N-CD2 3.27Å; V585-H588 WeakPolarHBondContact O-CB 3.45Å; V585-H588 PolarHBondContact O-N 3.31Å; L586-H588 VanDerWaalsContact C-N 3.28Å; L586-H588 PolarHBondContact O-N 3.43Å; H588-I590 VanDerWaalsContact C-N 3.31Å; H588-I590 PolarHBondContact O-N 2.66Å; H588-H591 WeakPolarHBondContact O-CB 3.43Å; H588-H591 PolarHBondContact O-N 3.31Å; H588-H591 VanDerWaalsContact O-N 3.13Å; H588-L592 WeakPolarHBondContact O-CG 3.43Å; H588-L592 PolarHBondContact O-N 2.97Å
589	I	80.6	Confident	75.7	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-40.6	176	-63.6	161.5	0	0	0	111.1	M550 L575 V585 L586 H591 L592 L593 V1171	M550-I589 HydrophobicContact CE-CG2 3.72Å; M550-I589 HydrophobicContact SD-CG2 3.56Å; M550-I589 VanDerWaalsContact SD-CG2 3.56Å; L575-I589 HydrophobicContact CD1-CD1 3.57Å; L575-I589 HydrophobicContact CD1-CG1 4.43Å; V585-I589 HydrophobicContact CG1-CD1 3.73Å; V585-I589 HydrophobicContact CG1-CG1 4.04Å; V585-I589 PolarHBondContact O-N 2.91Å; L586-I589 PolarHBondContact O-N 2.83Å; I589-H591 VanDerWaalsContact C-N 3.33Å; I589-L592 PolarHBondContact O-N 2.89Å; I589-L593 WeakPolarHBondContact O-CB 3.3Å; I589-L593 PolarHBondContact O-N 2.91Å; I589-V1171 HydrophobicContact CG2-CG1 4.23Å
590	I	79.9	Confident	74.5	Confident	45 Å²	45	48.2 Å²	48.2	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-41.1	176.1	-68.1	166	0	0	0	110.6	L586 S587 H588 L593 G594 F1164 A1168 V1171	L586-I590 HydrophobicContact CG-CD1 4.06Å; L586-I590 VanDerWaalsContact O-CG1 3.25Å; L586-I590 WeakPolarHBondContact O-CG1 3.44Å; L586-I590 PolarHBondContact O-N 3.17Å; S587-I590 PolarHBondContact O-N 3.38Å; H588-I590 VanDerWaalsContact C-N 3.31Å; H588-I590 PolarHBondContact O-N 2.66Å; I590-L593 PolarHBondContact O-N 3.22Å; I590-G594 PolarHBondContact O-N 3.15Å; I590-F1164 HydrophobicContact CG2-CZ 3.91Å; I590-A1168 HydrophobicContact CG2-CB 4.4Å; I590-V1171 HydrophobicContact CD1-CG1 4.22Å; I590-V1171 HydrophobicContact CG1-CB 4.34Å; I590-V1171 HydrophobicContact CG1-CG1 3.5Å
591	H	79	Confident	73	Confident	118 Å²	118	47.2 Å²	47.2	55%	0.546	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-47.2	176.2	-177.2	78.3	0	0	0	111.7	S587 H588 I589 L593 G594 H595	S587-H591 PolarHBondContact O-N 2.96Å; H588-H591 WeakPolarHBondContact O-CB 3.43Å; H588-H591 PolarHBondContact O-N 3.31Å; H588-H591 VanDerWaalsContact O-N 3.13Å; I589-H591 VanDerWaalsContact C-N 3.33Å; H591-L593 VanDerWaalsContact C-N 3.35Å; H591-L593 PolarHBondContact O-N 3.07Å; H591-G594 PolarHBondContact O-N 3.36Å; H591-H595 PolarHBondContact O-N 3.02Å
592	L	75.9	Confident	71.2	Confident	32 Å²	32	50.9 Å²	50.9	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-42.5	175.2	-69.6	177.6	0	0	0	112.3	Y268 I543 H588 I589 G594 H595 C596	Y268-L592 HydrophobicContact CD1-CD1 4.4Å; I543-L592 HydrophobicContact CD1-CB 4.38Å; I543-L592 HydrophobicContact CD1-CD1 4.1Å; I543-L592 HydrophobicContact CD1-CD2 4.34Å; H588-L592 WeakPolarHBondContact O-CG 3.43Å; H588-L592 PolarHBondContact O-N 2.97Å; I589-L592 PolarHBondContact O-N 2.89Å; L592-G594 VanDerWaalsContact C-N 3.27Å; L592-G594 PolarHBondContact O-N 3.35Å; L592-H595 WeakPolarHBondContact O-CB 3.3Å; L592-H595 PolarHBondContact O-N 3.44Å; L592-H595 VanDerWaalsContact O-N 3.14Å; L592-C596 PolarHBondContact O-N 2.79Å; L592-C596 PolarHBondContact O-SG 3.11Å
593	L	78.6	Confident	69.3	Low	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-37.1	177.4	-170.6	133	0	0	0	111.5	M550 I589 I590 H591 I597 F1164 L1167 V1171	M550-L593 HydrophobicContact CB-CD1 4.47Å; M550-L593 HydrophobicContact SD-CD1 4.24Å; I589-L593 WeakPolarHBondContact O-CB 3.3Å; I589-L593 PolarHBondContact O-N 2.91Å; I590-L593 PolarHBondContact O-N 3.22Å; H591-L593 VanDerWaalsContact C-N 3.35Å; H591-L593 PolarHBondContact O-N 3.07Å; L593-I597 HydrophobicContact CD2-CD1 3.52Å; L593-I597 HydrophobicContact CG-CD1 4.09Å; L593-I597 WeakPolarHBondContact O-CD1 3.23Å; L593-I597 WeakPolarHBondContact O-CG1 3.45Å; L593-I597 PolarHBondContact O-N 2.81Å; L593-I597 VanDerWaalsContact O-N 3.13Å; L593-F1164 HydrophobicContact CD2-CD2 3.78Å; L593-F1164 HydrophobicContact CD2-CE2 3.69Å; L593-L1167 HydrophobicContact CD1-CB 4.49Å; L593-L1167 HydrophobicContact CD2-CB 3.81Å; L593-L1167 HydrophobicContact CD2-CD1 4.25Å; L593-V1171 HydrophobicContact CD1-CG2 3.91Å
594	G	73.3	Confident	67.3	Low	27 Å²	27	48.2 Å²	48.2	28%	0.278	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-43.1	172.4	0	0	0	0	0	112.4	I590 H591 L592 G598 F1164	I590-G594 PolarHBondContact O-N 3.15Å; H591-G594 PolarHBondContact O-N 3.36Å; L592-G594 VanDerWaalsContact C-N 3.27Å; L592-G594 PolarHBondContact O-N 3.35Å; G594-G598 PolarHBondContact O-N 3.07Å; G594-F1164 VanDerWaalsContact CA-CE2 3.45Å
595	H	70.6	Confident	65.3	Low	105 Å²	105	48 Å²	48	49%	0.486	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-50.1	176.6	-167.9	-86.5	0	0	0	112	H591 L592 I597 G598 E599	H591-H595 PolarHBondContact O-N 3.02Å; L592-H595 WeakPolarHBondContact O-CB 3.3Å; L592-H595 PolarHBondContact O-N 3.44Å; L592-H595 VanDerWaalsContact O-N 3.14Å; H595-I597 VanDerWaalsContact C-N 3.28Å; H595-I597 PolarHBondContact O-N 3.17Å; H595-G598 PolarHBondContact O-N 3.19Å; H595-G598 VanDerWaalsContact O-N 3.11Å; H595-E599 IonicContact CE1-OE1 3.48Å; H595-E599 PolarHBondContact CE1-OE1 3.16Å; H595-E599 IonicContact CE1-OE2 3.69Å; H595-E599 IonicContact ND1-OE1 2.77Å; H595-E599 IonicContact ND1-OE2 3.33Å; H595-E599 PolarHBondContact ND1-OE2 2.91Å; H595-E599 PolarHBondContact O-N 2.73Å; H595-E599 VanDerWaalsContact O-N 3.07Å
596	C	68.4	Low	63.3	Low	14 Å²	14	49.8 Å²	49.8	10%	0.095	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-39.1	179.7	-65.8	0	0	0	0	112.5	L592 Q600	L592-C596 PolarHBondContact O-N 2.79Å; L592-C596 PolarHBondContact O-SG 3.11Å; C596-Q600 WeakPolarHBondContact O-CG 3.48Å; C596-Q600 PolarHBondContact O-N 3.07Å
597	I	70.7	Confident	61.3	Low	33 Å²	33	50 Å²	50	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-72.1	-37.4	178	-69.5	165.9	0	0	0	111.2	V547 L593 H595 Q600 S601 F1164 L1167	V547-I597 HydrophobicContact CG2-CG1 4.41Å; L593-I597 HydrophobicContact CD2-CD1 3.52Å; L593-I597 HydrophobicContact CG-CD1 4.09Å; L593-I597 WeakPolarHBondContact O-CD1 3.23Å; L593-I597 WeakPolarHBondContact O-CG1 3.45Å; L593-I597 PolarHBondContact O-N 2.81Å; L593-I597 VanDerWaalsContact O-N 3.13Å; H595-I597 VanDerWaalsContact C-N 3.28Å; H595-I597 PolarHBondContact O-N 3.17Å; I597-Q600 PolarHBondContact O-N 2.76Å; I597-S601 WeakPolarHBondContact O-CB 3.22Å; I597-S601 PolarHBondContact O-N 3.11Å; I597-F1164 HydrophobicContact CD1-CD2 3.91Å; I597-L1167 HydrophobicContact CD1-CD1 3.71Å
598	G	63.4	Low	59.1	Low	21 Å²	21	51.3 Å²	51.3	22%	0.216	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-48.5	174.9	0	0	0	0	0	112.5	G594 H595 S601 E602	G594-G598 PolarHBondContact O-N 3.07Å; H595-G598 PolarHBondContact O-N 3.19Å; H595-G598 VanDerWaalsContact O-N 3.11Å; G598-S601 PolarHBondContact O-N 3.11Å; G598-E602 PolarHBondContact O-N 3.09Å; G598-E602 VanDerWaalsContact O-N 3.15Å
599	E	58.8	Low	57.1	Low	76 Å²	76	56 Å²	56	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-66.1	-38.2	179.7	-69.5	-179.6	138.3	0	0	113.1	H595 S601 S603	H595-E599 IonicContact CE1-OE1 3.48Å; H595-E599 PolarHBondContact CE1-OE1 3.16Å; H595-E599 IonicContact CE1-OE2 3.69Å; H595-E599 IonicContact ND1-OE1 2.77Å; H595-E599 IonicContact ND1-OE2 3.33Å; H595-E599 PolarHBondContact ND1-OE2 2.91Å; H595-E599 PolarHBondContact O-N 2.73Å; H595-E599 VanDerWaalsContact O-N 3.07Å; E599-S601 VanDerWaalsContact C-N 3.33Å; E599-S603 PolarHBondContact O-N 2.93Å; E599-S603 PolarHBondContact O-OG 2.92Å
600	Q	57.5	Low	55.1	Low	71 Å²	71	61.9 Å²	61.9	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-35.2	174.5	-73	-173.5	1.8	0	0	112.1	C596 I597 S603 T604	C596-Q600 WeakPolarHBondContact O-CG 3.48Å; C596-Q600 PolarHBondContact O-N 3.07Å; I597-Q600 PolarHBondContact O-N 2.76Å; Q600-S603 PolarHBondContact O-OG 2.82Å; Q600-T604 WeakPolarHBondContact O-CG2 3.49Å; Q600-T604 PolarHBondContact O-N 3.07Å; Q600-T604 PolarHBondContact O-OG1 3.06Å
601	S	51.3	Low	53.3	Low	21 Å²	21	61.9 Å²	61.9	15%	0.147	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-38.4	177.1	-172.5	0	0	0	0	112.7	I597 G598 E599 T604	I597-S601 WeakPolarHBondContact O-CB 3.22Å; I597-S601 PolarHBondContact O-N 3.11Å; G598-S601 PolarHBondContact O-N 3.11Å; E599-S601 VanDerWaalsContact C-N 3.33Å; S601-T604 PolarHBondContact O-OG1 2.79Å; S601-T604 VanDerWaalsContact O-OG1 3.14Å
602	E	44.4	Very low	51.5	Low	134 Å²	134	60 Å²	60	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-69.2	-36	177	-72.9	-163.5	163.2	0	0	112.2	G598	G598-E602 PolarHBondContact O-N 3.09Å; G598-E602 VanDerWaalsContact O-N 3.15Å
603	S	42.5	Very low	49.9	Very low	16 Å²	16	59.8 Å²	59.8	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-79.7	-34.3	-176.3	51.8	0	0	0	0	113.4	H536 E599 Q600 I605 S606 A607	H536-S603 PolarHBondContact ND1-OG 3.41Å; E599-S603 PolarHBondContact O-N 2.93Å; E599-S603 PolarHBondContact O-OG 2.92Å; Q600-S603 PolarHBondContact O-OG 2.82Å; S603-I605 VanDerWaalsContact C-N 3.33Å; S603-I605 PolarHBondContact O-N 3.3Å; S603-S606 CarbonylContact O-C 3.56Å; S603-S606 PolarHBondContact O-N 3.34Å; S603-S606 VanDerWaalsContact O-N 3.09Å; S603-A607 VanDerWaalsContact O-CB 3.3Å; S603-A607 WeakPolarHBondContact O-CB 3.36Å; S603-A607 PolarHBondContact O-N 3.5Å
604	T	36.3	Very low	48.5	Very low	49 Å²	49	60.5 Å²	60.5	30%	0.301	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-39.9	175.2	43.2	0	0	0	0	112.8	Q600 S601 S606 A607 V608	Q600-T604 WeakPolarHBondContact O-CG2 3.49Å; Q600-T604 PolarHBondContact O-N 3.07Å; Q600-T604 PolarHBondContact O-OG1 3.06Å; S601-T604 PolarHBondContact O-OG1 2.79Å; S601-T604 VanDerWaalsContact O-OG1 3.14Å; T604-S606 VanDerWaalsContact C-N 3.29Å; T604-S606 PolarHBondContact O-N 3.39Å; T604-A607 PolarHBondContact O-N 3.19Å; T604-V608 PolarHBondContact O-N 3.17Å
605	I	34.7	Very low	47.4	Very low	94 Å²	94	60.8 Å²	60.8	48%	0.482	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-38	175	-58.6	171.8	0	0	0	110.7	S603 A1157	S603-I605 VanDerWaalsContact C-N 3.33Å; S603-I605 PolarHBondContact O-N 3.3Å; I605-A1157 HydrophobicContact CD1-CB 3.69Å; I605-A1157 HydrophobicContact CG1-CB 3.48Å; I605-A1157 VanDerWaalsContact CG1-CB 3.48Å
606	S	34.3	Very low	46.6	Very low	42 Å²	42	56.3 Å²	56.3	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-77.8	-32.9	177	-68.2	0	0	0	0	113.3	S603 T604 V608 H609 R610	S603-S606 CarbonylContact O-C 3.56Å; S603-S606 PolarHBondContact O-N 3.34Å; S603-S606 VanDerWaalsContact O-N 3.09Å; T604-S606 VanDerWaalsContact C-N 3.29Å; T604-S606 PolarHBondContact O-N 3.39Å; S606-V608 PolarHBondContact O-N 2.83Å; S606-H609 CarbonylContact O-C 3.53Å; S606-H609 PolarHBondContact O-N 3.31Å; S606-H609 VanDerWaalsContact O-N 3.07Å; S606-R610 WeakPolarHBondContact O-CG 3.47Å; S606-R610 PolarHBondContact O-N 3.09Å
607	A	32	Very low	46.1	Very low	31 Å²	31	57.8 Å²	57.8	26%	0.256	32%	0.315	S	S	.	.	H	α-helix	trans	-68	-32.9	-173.1	0	0	0	0	0	112.6	S603 T604 H609	S603-A607 VanDerWaalsContact O-CB 3.3Å; S603-A607 WeakPolarHBondContact O-CB 3.36Å; S603-A607 PolarHBondContact O-N 3.5Å; T604-A607 PolarHBondContact O-N 3.19Å; A607-H609 PolarHBondContact O-N 3.46Å
608	V	32.3	Very low	45.9	Very low	118 Å²	118	60.7 Å²	60.7	72%	0.715	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25	173.7	-179.6	0	0	0	0	111.5	T604 S606	T604-V608 PolarHBondContact O-N 3.17Å; S606-V608 PolarHBondContact O-N 2.83Å
609	H	35.1	Very low	46.6	Very low	124 Å²	124	60 Å²	60	57%	0.574	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-16.1	-178.1	-67.7	-47.9	0	0	0	115	S606 A607 E611 S1016	S606-H609 CarbonylContact O-C 3.53Å; S606-H609 PolarHBondContact O-N 3.31Å; S606-H609 VanDerWaalsContact O-N 3.07Å; A607-H609 PolarHBondContact O-N 3.46Å; H609-E611 PolarHBondContact O-N 3.38Å; H609-S1016 WeakPolarHBondContact O-CB 3.35Å
610	R	39.1	Very low	47.9	Very low	128 Å²	128	58.2 Å²	58.2	48%	0.483	32%	0.315	S	S	.	.			trans	-67.6	117.7	176.8	-84.4	-177.6	-174.8	173.5	3.9	109.3	S606 A614	S606-R610 WeakPolarHBondContact O-CG 3.47Å; S606-R610 PolarHBondContact O-N 3.09Å; R610-A614 HydrophobicContact CB-CB 4.19Å; R610-A614 HydrophobicContact CG-CB 4.14Å
611	E	41.6	Very low	49.5	Very low	46 Å²	46	54.8 Å²	54.8	22%	0.215	30%	0.299	C	S	.	.			trans	-54.4	145.9	163.9	-72.6	-174.1	165.1	0	0	109.4	H609 F613 A614 R939 L1017	H609-E611 PolarHBondContact O-N 3.38Å; E611-F613 PolarHBondContact O-N 2.79Å; E611-A614 VanDerWaalsContact O-CB 3.29Å; E611-A614 WeakPolarHBondContact O-CB 3.39Å; E611-A614 PolarHBondContact O-N 2.79Å; E611-R939 IonicContact OE1-NE 2.71Å; E611-R939 IonicContact OE2-CZ 3.04Å; E611-R939 IonicContact OE2-NE 2.8Å; E611-R939 PolarHBondContact OE2-NE 3.09Å; E611-R939 IonicContact OE2-NH1 2.79Å; E611-R939 PolarHBondContact OE2-NH1 3.18Å; E611-L1017 HydrophobicContact CG-CD2 4.33Å; E611-L1017 WeakPolarHBondContact OE2-CD2 3.41Å
612	P	40.9	Very low	51.6	Low	78 Å²	78	53.8 Å²	53.8	51%	0.506	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.1	177.9	-21.5	29.6	0	0	0	114.2	P113	P113-P612 HydrophobicContact CB-CB 4.4Å; P113-P612 HydrophobicContact CG-CB 3.74Å; P113-P612 HydrophobicContact CG-CG 4.34Å
613	F	43	Very low	53.9	Low	28 Å²	28	47.4 Å²	47.4	12%	0.123	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	8.4	179.6	-57.3	-75.6	0	0	0	113.9	R111 R112 P113 E611 H615	R111-F613 HydrophobicContact CB-CZ 4.44Å; R111-F613 VanDerWaalsContact O-CE2 3.24Å; R111-F613 WeakPolarHBondContact O-CE2 3.48Å; R112-F613 VanDerWaalsContact C-CZ 3.47Å; P113-F613 HydrophobicContact CB-CE1 4.19Å; P113-F613 HydrophobicContact CB-CZ 4.22Å; E611-F613 PolarHBondContact O-N 2.79Å; F613-H615 PolarHBondContact O-N 2.68Å
614	A	47.6	Very low	56.4	Low	14 Å²	14	46.7 Å²	46.7	12%	0.116	26%	0.257	C	S	.	.	S	Bend	trans	-54.3	133.3	174.5	0	0	0	0	0	109.6	R610 E611 V616 S1016	R610-A614 HydrophobicContact CB-CB 4.19Å; R610-A614 HydrophobicContact CG-CB 4.14Å; E611-A614 VanDerWaalsContact O-CB 3.29Å; E611-A614 WeakPolarHBondContact O-CB 3.39Å; E611-A614 PolarHBondContact O-N 2.79Å; A614-V616 PolarHBondContact O-N 2.84Å; A614-V616 VanDerWaalsContact O-N 3.15Å; A614-S1016 WeakPolarHBondContact CB-O 3.08Å
615	H	50.6	Low	59.2	Low	33 Å²	33	44.6 Å²	44.6	15%	0.153	24%	0.244	C	C	.	.			trans	-54.4	125	-178.5	-72.2	-70	0	0	0	110.6	F613 A617 Q738 E740 Y769 L1017	F613-H615 PolarHBondContact O-N 2.68Å; H615-A617 PolarHBondContact O-N 3.29Å; H615-A617 VanDerWaalsContact O-N 3.11Å; H615-Q738 PolarHBondContact ND1-NE2 2.77Å; H615-E740 IonicContact CE1-OE1 3.59Å; H615-E740 PolarHBondContact CE1-OE1 2.89Å; H615-E740 IonicContact ND1-OE1 3.67Å; H615-E740 PolarHBondContact ND1-OE1 3Å; H615-Y769 AromaticContact CE1-CZ 3.88Å; H615-Y769 PolarHBondContact CE1-OH 3.36Å; H615-Y769 PolarHBondContact NE2-OH 3.24Å; H615-L1017 PolarHBondContact CD2-O 2.81Å; H615-L1017 VanDerWaalsContact CD2-O 3.29Å; H615-L1017 PolarHBondContact N-O 3.16Å; H615-L1017 VanDerWaalsContact N-O 3.16Å
616	V	54.3	Low	61.9	Low	12 Å²	12	40.5 Å²	40.5	7%	0.073	22%	0.224	C	C	.	.			trans	-56.5	114.7	175.2	164.6	0	0	0	0	109.3	R520 E537 A614 L619	R520-V616 VanDerWaalsContact CZ-CG1 3.44Å; E537-V616 VanDerWaalsContact OE2-CG1 3.3Å; E537-V616 WeakPolarHBondContact OE2-CG1 3.43Å; A614-V616 PolarHBondContact O-N 2.84Å; A614-V616 VanDerWaalsContact O-N 3.15Å; V616-L619 HydrophobicContact CB-CD2 4Å; V616-L619 HydrophobicContact CG1-CD2 3.52Å; V616-L619 HydrophobicContact CG1-CG 4.38Å
617	A	57.2	Low	64.6	Low	45 Å²	45	39.4 Å²	39.4	37%	0.372	22%	0.216	S	C	.	.	S	Bend	trans	-71.7	149	175.8	0	0	0	0	0	110.7	R520 H615 S813	R520-A617 PolarHBondContact NH2-O 2.89Å; H615-A617 PolarHBondContact O-N 3.29Å; H615-A617 VanDerWaalsContact O-N 3.11Å; A617-S813 WeakPolarHBondContact CA-OG 3.26Å
618	N	67.4	Low	67.2	Low	94 Å²	94	39.6 Å²	39.6	50%	0.503	22%	0.215	S	C	.	.	S	Bend	trans	62.7	50.9	175.1	-156	31.3	0	0	0	113.9	R520 N620	R520-N618 PolarHBondContact NH1-O 2.97Å; N618-N620 PolarHBondContact O-OD1 2.9Å
619	L	78.5	Confident	69.7	Low	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.207	C	C	.	.			trans	-65.3	129.5	167.4	-62.4	177.4	0	0	0	109.9	V616 I622 D709 C710 L811	V616-L619 HydrophobicContact CB-CD2 4Å; V616-L619 HydrophobicContact CG1-CD2 3.52Å; V616-L619 HydrophobicContact CG1-CG 4.38Å; L619-I622 HydrophobicContact CB-CG1 4.46Å; L619-I622 HydrophobicContact CD1-CD1 4.38Å; L619-D709 HydrophobicContact CD2-CB 3.72Å; L619-C710 HydrophobicContact CD1-CB 3.74Å; L619-C710 HydrophobicContact CD2-CB 3.83Å; L619-C710 HydrophobicContact CG-CB 4.42Å; L619-L811 HydrophobicContact CD1-CD2 4.16Å; L619-L811 WeakPolarHBondContact CD1-O 3.31Å
620	N	85.9	Confident	71.9	Confident	39 Å²	39	38.8 Å²	38.8	21%	0.209	21%	0.207	C	C	.	.			trans	-105.1	-37.1	174.4	-72.5	76.5	0	0	0	111	N618 I688 V689 D709	N618-N620 PolarHBondContact O-OD1 2.9Å; N620-I688 CarbonylContact O-C 3.48Å; N620-I688 WeakPolarHBondContact O-CA 3.29Å; N620-V689 PolarHBondContact O-N 3.48Å; N620-D709 PolarHBondContact N-OD2 2.91Å
621	T	91.4	Very high	74.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.5	-177	57.7	0	0	0	0	111.7	E683 V689 Y691 R707 A708 D709 C710	T621-E683 HydrophobicContact CG2-CG 3.67Å; T621-V689 WeakPolarHBondContact CA-O 3.35Å; T621-V689 HydrophobicContact CG2-CB 4.47Å; T621-Y691 HydrophobicContact CG2-CE2 4Å; T621-R707 PolarHBondContact OG1-O 3.35Å; T621-A708 WeakPolarHBondContact OG1-CA 3.35Å; T621-D709 PolarHBondContact N-OD2 3.5Å; T621-D709 VanDerWaalsContact N-OD2 3.16Å; T621-D709 WeakPolarHBondContact O-CB 3.28Å; T621-D709 PolarHBondContact O-N 3.22Å; T621-D709 PolarHBondContact OG1-N 3.43Å; T621-C710 PolarHBondContact O-N 3.18Å
622	I	93.9	Very high	76.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.3	-177.2	-58.2	174.9	0	0	0	109.1	L619 I688 V689 L690 Y691 C710 L712 L811	L619-I622 HydrophobicContact CB-CG1 4.46Å; L619-I622 HydrophobicContact CD1-CD1 4.38Å; I622-I688 HydrophobicContact CD1-CG2 3.97Å; I622-I688 HydrophobicContact CG1-CG2 4.36Å; I622-V689 PolarHBondContact N-O 2.75Å; I622-L690 HydrophobicContact CB-CD2 3.91Å; I622-L690 HydrophobicContact CD1-CD2 4.43Å; I622-L690 HydrophobicContact CG2-CD2 4.06Å; I622-L690 CarbonylContact O-C 3.54Å; I622-L690 WeakPolarHBondContact O-CA 3.32Å; I622-Y691 PolarHBondContact O-N 3.47Å; I622-C710 CarbonylContact C-O 3.59Å; I622-C710 WeakPolarHBondContact CA-O 3.44Å; I622-L712 HydrophobicContact CG2-CD1 3.59Å; I622-L712 HydrophobicContact CG2-CD2 4.38Å; I622-L712 HydrophobicContact CG2-CG 3.6Å; I622-L811 HydrophobicContact CD1-CB 4.31Å; I622-L811 HydrophobicContact CD1-CD1 4.26Å
623	A	94.4	Very high	78.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.4	173.7	0	0	0	0	0	111	A708 C710 I711 L712	A623-A708 HydrophobicContact CB-CB 3.58Å; A623-C710 PolarHBondContact N-O 2.94Å; A623-I711 WeakPolarHBondContact O-CA 3.31Å; A623-L712 PolarHBondContact O-N 2.94Å
624	V	94.7	Very high	80.8	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.9	178.2	-161.6	0	0	0	0	109.4	L633 F636 T637 L690 Y691 C693 L712 V714	V624-L633 HydrophobicContact CB-CD1 4.27Å; V624-L633 HydrophobicContact CG1-CD1 3.52Å; V624-F636 HydrophobicContact CG1-CD1 4.1Å; V624-F636 HydrophobicContact CG1-CE1 4.01Å; V624-T637 HydrophobicContact CG2-CG2 4.37Å; V624-L690 HydrophobicContact CG2-CD2 4.47Å; V624-Y691 PolarHBondContact N-O 2.88Å; V624-C693 VanDerWaalsContact O-CB 3.26Å; V624-C693 WeakPolarHBondContact O-CB 3.42Å; V624-C693 PolarHBondContact O-N 2.86Å; V624-C693 VanDerWaalsContact O-N 3.16Å; V624-L712 HydrophobicContact CG1-CB 4.35Å; V624-L712 HydrophobicContact CG2-CD1 4.4Å; V624-V714 HydrophobicContact CG1-CG2 3.61Å
625	I	93.8	Very high	82.6	Confident	6 Å²	6	26.4 Å²	26.4	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.6	-176.3	-57.4	176.5	0	0	0	109	C693 I705 I711 L712 V714 I726 L730	I625-C693 HydrophobicContact CG1-CB 4.11Å; I625-I705 HydrophobicContact CD1-CD1 3.83Å; I625-I705 HydrophobicContact CD1-CG1 3.8Å; I625-I711 HydrophobicContact CD1-CG2 3.45Å; I625-I711 VanDerWaalsContact CD1-CG2 3.45Å; I625-I711 HydrophobicContact CG1-CG2 4.11Å; I625-L712 PolarHBondContact N-O 3.47Å; I625-V714 PolarHBondContact O-N 2.78Å; I625-I726 HydrophobicContact CD1-CG2 4.2Å; I625-I726 HydrophobicContact CG2-CB 4.25Å; I625-I726 HydrophobicContact CG2-CD1 4.15Å; I625-I726 HydrophobicContact CG2-CG2 3.96Å; I625-L730 HydrophobicContact CD1-CD1 4.13Å
626	A	91.9	Very high	84.5	Confident	8 Å²	8	24.8 Å²	24.8	7%	0.066	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141.3	171.3	0	0	0	0	0	111.3	V631 L633 L695	A626-V631 HydrophobicContact CB-CB 4.11Å; A626-V631 HydrophobicContact CB-CG1 4.34Å; A626-L633 HydrophobicContact CB-CB 4.26Å; A626-L633 HydrophobicContact CB-CD1 4.1Å; A626-L633 HydrophobicContact CB-CD2 4.08Å; A626-L633 HydrophobicContact CB-CG 4.37Å; A626-L695 HydrophobicContact CB-CD2 3.8Å
627	V	90.4	Very high	86.3	Confident	19 Å²	19	24.2 Å²	24.2	12%	0.115	14%	0.137	C	C	.	.	S	Bend	trans	-74.2	-38	172.8	173.9	0	0	0	0	111.8	I713 V714 A715 V722 G724 W758	V627-I713 HydrophobicContact CG2-CG2 3.37Å; V627-V714 PolarHBondContact N-O 2.82Å; V627-A715 HydrophobicContact CB-CB 4.03Å; V627-A715 HydrophobicContact CG2-CB 3.77Å; V627-V722 WeakPolarHBondContact CG1-O 3.26Å; V627-G724 WeakPolarHBondContact O-CA 3.39Å; V627-W758 HydrophobicContact CG1-CZ3 4.38Å
628	S	87.1	Confident	87.8	Confident	35 Å²	35	22.1 Å²	22.1	25%	0.245	12%	0.12	C	C	.	.	S	Bend	trans	-139.8	166.1	179.2	62.1	0	0	0	0	111.5	E630 V631	S628-E630 VanDerWaalsContact C-N 3.28Å; S628-E630 PolarHBondContact O-N 2.86Å; S628-V631 WeakPolarHBondContact O-CB 3.39Å; S628-V631 PolarHBondContact O-N 3.35Å
629	D	85	Confident	88.7	Confident	100 Å²	100	19 Å²	19	54%	0.535	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.9	176.4	60.1	-17.2	0	0	0	113.5	V631 L695 Q780	D629-V631 PolarHBondContact O-N 3.22Å; D629-L695 HydrophobicContact CB-CD1 3.99Å; D629-Q780 PolarHBondContact O-NE2 3.28Å
630	E	82.6	Confident	89.3	Confident	125 Å²	125	18.8 Å²	18.8	58%	0.584	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.7	175.6	-60.2	-175.5	173	0	0	113.4	S628	S628-E630 VanDerWaalsContact C-N 3.28Å; S628-E630 PolarHBondContact O-N 2.86Å
631	V	87.4	Confident	89.6	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.096	C	C	.	.	S	Bend	trans	-76.1	126.2	-177.6	179.3	0	0	0	0	110.2	A626 S628 D629 L633 V714 L744	A626-V631 HydrophobicContact CB-CB 4.11Å; A626-V631 HydrophobicContact CB-CG1 4.34Å; S628-V631 WeakPolarHBondContact O-CB 3.39Å; S628-V631 PolarHBondContact O-N 3.35Å; D629-V631 PolarHBondContact O-N 3.22Å; V631-L633 PolarHBondContact O-N 3.15Å; V631-V714 HydrophobicContact CG1-CB 4.04Å; V631-V714 HydrophobicContact CG1-CG1 3.56Å; V631-L744 HydrophobicContact CG1-CD1 4.16Å
632	P	86.7	Confident	89.5	Confident	2 Å²	2	19 Å²	19	1%	0.013	10%	0.099	C	C	.	.			trans	-76.6	63.6	178.8	34.6	-39.7	0	0	0	112.1	T634 G635 F636 L744 F773 F778	P632-T634 PolarHBondContact O-N 3.16Å; P632-G635 PolarHBondContact O-N 2.93Å; P632-G635 VanDerWaalsContact O-N 3.13Å; P632-F636 WeakPolarHBondContact O-CB 3.05Å; P632-F636 PolarHBondContact O-N 3.19Å; P632-L744 HydrophobicContact CG-CD1 4.04Å; P632-F773 HydrophobicContact CB-CE1 4.36Å; P632-F773 HydrophobicContact CG-CD1 4.14Å; P632-F773 HydrophobicContact CG-CE1 3.85Å; P632-F778 HydrophobicContact CG-CD1 3.9Å; P632-F778 HydrophobicContact CG-CE1 4.44Å
633	L	88.2	Confident	89.2	Confident	15 Å²	15	19.4 Å²	19.4	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-56.1	-48.7	-171.5	-170.8	67.8	0	0	0	113.1	V624 A626 V631 G635 F636 T637 L692 C693 V714	V624-L633 HydrophobicContact CB-CD1 4.27Å; V624-L633 HydrophobicContact CG1-CD1 3.52Å; A626-L633 HydrophobicContact CB-CB 4.26Å; A626-L633 HydrophobicContact CB-CD1 4.1Å; A626-L633 HydrophobicContact CB-CD2 4.08Å; A626-L633 HydrophobicContact CB-CG 4.37Å; V631-L633 PolarHBondContact O-N 3.15Å; L633-G635 VanDerWaalsContact C-N 3.35Å; L633-G635 PolarHBondContact O-N 2.8Å; L633-F636 PolarHBondContact O-N 3.35Å; L633-T637 WeakPolarHBondContact O-CB 3.34Å; L633-T637 PolarHBondContact O-N 3.06Å; L633-T637 PolarHBondContact O-OG1 3.33Å; L633-L692 HydrophobicContact CD2-CD1 3.71Å; L633-L692 HydrophobicContact CG-CD1 3.62Å; L633-C693 VanDerWaalsContact CD2-O 3.3Å; L633-C693 WeakPolarHBondContact CD2-O 3.34Å; L633-V714 HydrophobicContact CD1-CB 4.38Å; L633-V714 HydrophobicContact CD1-CG2 4.22Å
634	T	87.9	Confident	88.9	Confident	13 Å²	13	19.4 Å²	19.4	8%	0.08	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-44.5	177.7	-46.1	0	0	0	0	111.4	P632 T637 V638 R781 L786 L789	P632-T634 PolarHBondContact O-N 3.16Å; T634-T637 PolarHBondContact O-N 3.38Å; T634-V638 WeakPolarHBondContact O-CG2 3.47Å; T634-V638 PolarHBondContact O-N 3.18Å; T634-R781 PolarHBondContact OG1-O 3.13Å; T634-L786 HydrophobicContact CG2-CD1 3.9Å; T634-L789 HydrophobicContact CG2-CD1 4.26Å
635	G	86	Confident	88.6	Confident	2 Å²	2	22.6 Å²	22.6	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-45.2	179.7	0	0	0	0	0	111.8	P632 L633 E639	P632-G635 PolarHBondContact O-N 2.93Å; P632-G635 VanDerWaalsContact O-N 3.13Å; L633-G635 VanDerWaalsContact C-N 3.35Å; L633-G635 PolarHBondContact O-N 2.8Å; G635-E639 WeakPolarHBondContact O-CG 3.36Å; G635-E639 PolarHBondContact O-N 3.38Å
636	F	90.4	Very high	88.1	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-47.7	176.3	170.5	-101.2	0	0	0	111.9	V624 P632 L633 V638 E639 L640 V714 I742 L744 F773 L807	V624-F636 HydrophobicContact CG1-CD1 4.1Å; V624-F636 HydrophobicContact CG1-CE1 4.01Å; P632-F636 WeakPolarHBondContact O-CB 3.05Å; P632-F636 PolarHBondContact O-N 3.19Å; L633-F636 PolarHBondContact O-N 3.35Å; F636-V638 VanDerWaalsContact C-N 3.33Å; F636-V638 PolarHBondContact O-N 3.45Å; F636-E639 PolarHBondContact O-N 3.28Å; F636-L640 HydrophobicContact CE1-CD2 4.01Å; F636-L640 HydrophobicContact CZ-CB 4.45Å; F636-L640 HydrophobicContact CZ-CD2 4.12Å; F636-L640 WeakPolarHBondContact O-CB 3.46Å; F636-L640 PolarHBondContact O-N 2.89Å; F636-V714 HydrophobicContact CD1-CG1 4.26Å; F636-V714 HydrophobicContact CD1-CG2 3.82Å; F636-V714 HydrophobicContact CE1-CG2 3.67Å; F636-V714 HydrophobicContact CG-CG1 4.39Å; F636-V714 HydrophobicContact CZ-CG2 4.46Å; F636-I742 HydrophobicContact CE1-CD1 4.09Å; F636-I742 HydrophobicContact CE2-CG2 4.13Å; F636-I742 HydrophobicContact CZ-CD1 3.66Å; F636-I742 HydrophobicContact CZ-CG2 4.07Å; F636-L744 HydrophobicContact CB-CD1 4.43Å; F636-L744 HydrophobicContact CD2-CD2 3.65Å; F636-L744 HydrophobicContact CE2-CD2 3.96Å; F636-L744 HydrophobicContact CG-CD2 4.42Å; F636-F773 HydrophobicContact CB-CE2 4.49Å; F636-F773 HydrophobicContact CB-CZ 4.35Å; F636-L807 HydrophobicContact CE2-CD2 4.31Å; F636-L807 HydrophobicContact CZ-CD2 3.81Å
637	T	91	Very high	87.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-37.9	-176.3	-56	0	0	0	0	112.1	V624 L633 T634 L640 W641 V652 L692	V624-T637 HydrophobicContact CG2-CG2 4.37Å; L633-T637 WeakPolarHBondContact O-CB 3.34Å; L633-T637 PolarHBondContact O-N 3.06Å; L633-T637 PolarHBondContact O-OG1 3.33Å; T634-T637 PolarHBondContact O-N 3.38Å; T637-L640 PolarHBondContact O-N 3.03Å; T637-W641 WeakPolarHBondContact O-CB 3.34Å; T637-W641 PolarHBondContact O-N 2.7Å; T637-V652 HydrophobicContact CG2-CG1 3.91Å; T637-V652 HydrophobicContact CG2-CG2 4.28Å; T637-L692 HydrophobicContact CG2-CD1 4.27Å; T637-L692 WeakPolarHBondContact OG1-CD1 3.32Å
638	V	88.6	Confident	87.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.9	-38.8	177.6	-178.4	0	0	0	0	112.1	T634 F636 L640 W641 H642 L786 L789 I790 I793	T634-V638 WeakPolarHBondContact O-CG2 3.47Å; T634-V638 PolarHBondContact O-N 3.18Å; F636-V638 VanDerWaalsContact C-N 3.33Å; F636-V638 PolarHBondContact O-N 3.45Å; V638-L640 VanDerWaalsContact C-N 3.34Å; V638-W641 HydrophobicContact CG1-CE3 4.4Å; V638-W641 PolarHBondContact O-N 2.86Å; V638-H642 WeakPolarHBondContact O-CB 3.04Å; V638-H642 PolarHBondContact O-N 2.99Å; V638-L786 HydrophobicContact CG2-CD1 3.25Å; V638-L789 HydrophobicContact CG2-CB 4.41Å; V638-I790 HydrophobicContact CG1-CG1 4.02Å; V638-I790 HydrophobicContact CG2-CG1 4.16Å; V638-I793 HydrophobicContact CB-CD1 4.1Å; V638-I793 HydrophobicContact CG1-CB 4.11Å; V638-I793 HydrophobicContact CG1-CD1 3.42Å; V638-I793 VanDerWaalsContact CG1-CD1 3.42Å; V638-I793 HydrophobicContact CG1-CG1 4.28Å; V638-I793 HydrophobicContact CG1-CG2 4.35Å
639	E	87.1	Confident	87.2	Confident	29 Å²	29	27.7 Å²	27.7	14%	0.136	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-35.8	175.7	-66.3	-75.2	167.9	0	0	111.2	G635 F636 S643 F773 I793 R796 I804	G635-E639 WeakPolarHBondContact O-CG 3.36Å; G635-E639 PolarHBondContact O-N 3.38Å; F636-E639 PolarHBondContact O-N 3.28Å; E639-S643 PolarHBondContact O-N 3.21Å; E639-S643 VanDerWaalsContact O-N 3.14Å; E639-S643 PolarHBondContact O-OG 3.25Å; E639-F773 HydrophobicContact CB-CE2 4.5Å; E639-F773 HydrophobicContact CG-CE2 4.27Å; E639-I793 HydrophobicContact CG-CD1 4.5Å; E639-R796 IonicContact OE1-NH1 2.62Å; E639-R796 PolarHBondContact OE1-NH1 2.86Å; E639-I804 HydrophobicContact CB-CD1 3.64Å
640	L	91.7	Very high	87.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-46.2	172	179.7	60.6	0	0	0	111.3	F636 T637 V638 H642 S643 L644 L690 L712 I804 L807 A808 L811	F636-L640 HydrophobicContact CE1-CD2 4.01Å; F636-L640 HydrophobicContact CZ-CB 4.45Å; F636-L640 HydrophobicContact CZ-CD2 4.12Å; F636-L640 WeakPolarHBondContact O-CB 3.46Å; F636-L640 PolarHBondContact O-N 2.89Å; T637-L640 PolarHBondContact O-N 3.03Å; V638-L640 VanDerWaalsContact C-N 3.34Å; L640-H642 PolarHBondContact O-N 3.27Å; L640-S643 PolarHBondContact O-N 3.22Å; L640-L644 HydrophobicContact CD1-CD1 3.94Å; L640-L644 HydrophobicContact CD1-CG 4.09Å; L640-L644 HydrophobicContact CD2-CD1 4.38Å; L640-L644 HydrophobicContact CG-CD1 3.78Å; L640-L644 HydrophobicContact CG-CG 4.37Å; L640-L644 WeakPolarHBondContact O-CB 3.42Å; L640-L644 WeakPolarHBondContact O-CG 3.35Å; L640-L644 PolarHBondContact O-N 2.79Å; L640-L690 HydrophobicContact CD2-CD2 4.23Å; L640-L712 HydrophobicContact CD2-CD1 3.73Å; L640-I804 HydrophobicContact CB-CG2 4.26Å; L640-I804 HydrophobicContact CD1-CG2 4.15Å; L640-L807 HydrophobicContact CD1-CD2 4.01Å; L640-L807 HydrophobicContact CD1-CG 4.29Å; L640-A808 HydrophobicContact CD1-CB 4.42Å; L640-L811 HydrophobicContact CD1-CD1 4.33Å
641	W	91.2	Very high	87.9	Confident	27 Å²	27	19.9 Å²	19.9	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-56.6	-49.3	174.3	168.9	74.5	0	0	0	111.8	T637 V638 S643 L644 N645 T650 V652 L690 I790 A794	T637-W641 WeakPolarHBondContact O-CB 3.34Å; T637-W641 PolarHBondContact O-N 2.7Å; V638-W641 HydrophobicContact CG1-CE3 4.4Å; V638-W641 PolarHBondContact O-N 2.86Å; W641-S643 PolarHBondContact O-N 3.45Å; W641-L644 PolarHBondContact O-N 3.4Å; W641-N645 VanDerWaalsContact O-CB 3.23Å; W641-N645 WeakPolarHBondContact O-CB 3.47Å; W641-N645 PolarHBondContact O-N 3.16Å; W641-T650 PolarHBondContact NE1-O 2.68Å; W641-T650 PolarHBondContact NE1-OG1 3.47Å; W641-V652 HydrophobicContact CB-CG2 3.41Å; W641-V652 VanDerWaalsContact CB-CG2 3.41Å; W641-V652 HydrophobicContact CG-CG2 3.51Å; W641-L690 HydrophobicContact CB-CD1 3.85Å; W641-I790 HydrophobicContact CE3-CG1 4.43Å; W641-I790 HydrophobicContact CE3-CG2 4.11Å; W641-I790 HydrophobicContact CH2-CG2 3.4Å; W641-I790 HydrophobicContact CZ2-CG2 3.89Å; W641-I790 HydrophobicContact CZ3-CB 4.3Å; W641-I790 HydrophobicContact CZ3-CG2 3.52Å; W641-A794 HydrophobicContact CH2-CB 4.28Å; W641-A794 HydrophobicContact CZ3-CB 4.43Å
642	H	89.1	Confident	88.2	Confident	16 Å²	16	19.9 Å²	19.9	7%	0.074	11%	0.11	C	C	.	.	H	α-helix	trans	-58.7	-35.9	179.4	-179.5	71.4	0	0	0	112.4	V638 L640 I793 R796 Q798	V638-H642 WeakPolarHBondContact O-CB 3.04Å; V638-H642 PolarHBondContact O-N 2.99Å; L640-H642 PolarHBondContact O-N 3.27Å; H642-I793 HydrophobicContact CB-CG2 3.64Å; H642-I793 PolarHBondContact CE1-O 3.09Å; H642-I793 VanDerWaalsContact CE1-O 3.28Å; H642-I793 PolarHBondContact ND1-O 2.91Å; H642-R796 PolarHBondContact CE1-O 3.08Å; H642-R796 VanDerWaalsContact CE1-O 3.3Å; H642-R796 PolarHBondContact NE2-O 3.12Å; H642-Q798 WeakPolarHBondContact NE2-CG 3.4Å; H642-Q798 PolarHBondContact O-NE2 2.71Å
643	S	88.4	Confident	88.4	Confident	9 Å²	9	19.9 Å²	19.9	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-74.7	-43.5	177.2	-55.3	0	0	0	0	112.2	E639 L640 W641 S646 I804	E639-S643 PolarHBondContact O-N 3.21Å; E639-S643 VanDerWaalsContact O-N 3.14Å; E639-S643 PolarHBondContact O-OG 3.25Å; L640-S643 PolarHBondContact O-N 3.22Å; W641-S643 PolarHBondContact O-N 3.45Å; S643-S646 WeakPolarHBondContact O-CB 3.42Å; S643-S646 PolarHBondContact O-N 3.3Å; S643-S646 PolarHBondContact O-OG 3.12Å; S643-I804 WeakPolarHBondContact OG-CG2 3.4Å
644	L	88.7	Confident	88.5	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.2	-39.1	178.1	-76.5	169	0	0	0	111.9	L640 W641 S646 I647 K648 T650 I688 L690 A808 T812	L640-L644 HydrophobicContact CD1-CD1 3.94Å; L640-L644 HydrophobicContact CD1-CG 4.09Å; L640-L644 HydrophobicContact CD2-CD1 4.38Å; L640-L644 HydrophobicContact CG-CD1 3.78Å; L640-L644 HydrophobicContact CG-CG 4.37Å; L640-L644 WeakPolarHBondContact O-CB 3.42Å; L640-L644 WeakPolarHBondContact O-CG 3.35Å; L640-L644 PolarHBondContact O-N 2.79Å; W641-L644 PolarHBondContact O-N 3.4Å; L644-S646 PolarHBondContact O-N 3.04Å; L644-S646 VanDerWaalsContact O-N 3.09Å; L644-I647 PolarHBondContact O-N 3.43Å; L644-K648 PolarHBondContact O-N 2.98Å; L644-T650 HydrophobicContact CB-CG2 3.54Å; L644-I688 HydrophobicContact CD2-CD1 4.35Å; L644-L690 HydrophobicContact CD1-CD1 3.94Å; L644-L690 HydrophobicContact CD1-CD2 3.93Å; L644-L690 HydrophobicContact CD1-CG 4.29Å; L644-A808 HydrophobicContact CD2-CB 3.67Å; L644-A808 HydrophobicContact CG-CB 3.82Å; L644-T812 HydrophobicContact CD2-CG2 3.55Å
645	N	87	Confident	88.5	Confident	68 Å²	68	19.1 Å²	19.1	36%	0.364	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.4	179.5	-154.9	47.5	0	0	0	113	W641 I647 K648 T650	W641-N645 VanDerWaalsContact O-CB 3.23Å; W641-N645 WeakPolarHBondContact O-CB 3.47Å; W641-N645 PolarHBondContact O-N 3.16Å; N645-I647 VanDerWaalsContact C-N 3.34Å; N645-K648 VanDerWaalsContact CA-O 3.27Å; N645-K648 WeakPolarHBondContact CA-O 3.17Å; N645-T650 WeakPolarHBondContact CA-OG1 3.22Å; N645-T650 VanDerWaalsContact CB-OG1 3.31Å; N645-T650 WeakPolarHBondContact CB-OG1 3.43Å; N645-T650 PolarHBondContact N-OG1 3.44Å; N645-T650 PolarHBondContact OD1-N 3.44Å; N645-T650 VanDerWaalsContact OD1-N 3.08Å; N645-T650 PolarHBondContact OD1-OG1 2.7Å
646	S	82.8	Confident	88.5	Confident	59 Å²	59	20.9 Å²	20.9	41%	0.413	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.5	172.4	78	0	0	0	0	113.4	S643 L644 Q798	S643-S646 WeakPolarHBondContact O-CB 3.42Å; S643-S646 PolarHBondContact O-N 3.3Å; S643-S646 PolarHBondContact O-OG 3.12Å; L644-S646 PolarHBondContact O-N 3.04Å; L644-S646 VanDerWaalsContact O-N 3.09Å; S646-Q798 VanDerWaalsContact CB-CD 3.45Å; S646-Q798 VanDerWaalsContact CB-NE2 3.34Å
647	I	81.6	Confident	88.2	Confident	30 Å²	30	22 Å²	22	15%	0.154	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-53.6	-173.5	-49.1	176.1	0	0	0	109.5	L644 N645 A808 R809 T812 T814	L644-I647 PolarHBondContact O-N 3.43Å; N645-I647 VanDerWaalsContact C-N 3.34Å; I647-A808 HydrophobicContact CD1-CB 4.24Å; I647-R809 HydrophobicContact CD1-CB 4.44Å; I647-R809 HydrophobicContact CD1-CG 3.73Å; I647-T812 HydrophobicContact CB-CG2 4.46Å; I647-T812 HydrophobicContact CD1-CG2 4.39Å; I647-T812 HydrophobicContact CG2-CG2 4.33Å; I647-T814 HydrophobicContact CG2-CG2 3.9Å
648	K	82.3	Confident	87.9	Confident	28 Å²	28	22 Å²	22	12%	0.122	12%	0.121	C	C	.	.	S	Bend	trans	-133.7	152.7	-177.3	-69.1	-170.3	179	-178.1	0	110.1	L644 N645 T650 I688 T812	L644-K648 PolarHBondContact O-N 2.98Å; N645-K648 VanDerWaalsContact CA-O 3.27Å; N645-K648 WeakPolarHBondContact CA-O 3.17Å; K648-T650 WeakPolarHBondContact O-CG2 3.36Å; K648-T650 PolarHBondContact O-N 2.93Å; K648-T650 VanDerWaalsContact O-N 3.16Å; K648-I688 HydrophobicContact CB-CD1 4.32Å; K648-I688 HydrophobicContact CD-CD1 4.09Å; K648-I688 HydrophobicContact CD-CG1 4.41Å; K648-T812 HydrophobicContact CD-CG2 4.34Å
649	S	88.3	Confident	87.7	Confident	57 Å²	57	24.8 Å²	24.8	40%	0.399	14%	0.136	S	C	.	.			trans	-60.2	118	175	-177	0	0	0	0	109.9	S687 I688	S649-S687 WeakPolarHBondContact O-CB 3.31Å; S649-S687 PolarHBondContact O-N 3.2Å; S649-S687 VanDerWaalsContact O-N 3.11Å; S649-I688 PolarHBondContact O-N 3.14Å
650	T	90.5	Very high	87.5	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.031	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.3	-174.8	64.6	0	0	0	0	113.2	W641 L644 N645 K648 I688	W641-T650 PolarHBondContact NE1-O 2.68Å; W641-T650 PolarHBondContact NE1-OG1 3.47Å; L644-T650 HydrophobicContact CB-CG2 3.54Å; N645-T650 WeakPolarHBondContact CA-OG1 3.22Å; N645-T650 VanDerWaalsContact CB-OG1 3.31Å; N645-T650 WeakPolarHBondContact CB-OG1 3.43Å; N645-T650 PolarHBondContact N-OG1 3.44Å; N645-T650 PolarHBondContact OD1-N 3.44Å; N645-T650 VanDerWaalsContact OD1-N 3.08Å; N645-T650 PolarHBondContact OD1-OG1 2.7Å; K648-T650 WeakPolarHBondContact O-CG2 3.36Å; K648-T650 PolarHBondContact O-N 2.93Å; K648-T650 VanDerWaalsContact O-N 3.16Å; T650-I688 VanDerWaalsContact CA-O 3.23Å; T650-I688 WeakPolarHBondContact CA-O 3.4Å; T650-I688 HydrophobicContact CG2-CB 3.66Å; T650-I688 HydrophobicContact CG2-CD1 4.35Å; T650-I688 HydrophobicContact CG2-CG1 4.37Å; T650-I688 HydrophobicContact CG2-CG2 4.25Å
651	H	91.7	Very high	86.9	Confident	56 Å²	56	36.5 Å²	36.5	26%	0.259	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.5	177.7	-169	66.7	0	0	0	111.1	Y686 I688 L690	H651-Y686 HydrophobicContact CB-CD1 3.79Å; H651-Y686 HydrophobicContact CB-CD2 3.63Å; H651-Y686 HydrophobicContact CB-CE1 3.94Å; H651-Y686 HydrophobicContact CB-CE2 3.77Å; H651-Y686 HydrophobicContact CB-CG 3.64Å; H651-Y686 AromaticContact CG-CE2 3.77Å; H651-Y686 AromaticContact CG-CZ 3.9Å; H651-Y686 AromaticContact ND1-CZ 3.91Å; H651-I688 PolarHBondContact N-O 3.21Å; H651-L690 PolarHBondContact O-N 2.94Å
652	V	92.1	Very high	86.3	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.3	176.9	177.6	0	0	0	0	108.8	T637 W641 L690 L786 I790	T637-V652 HydrophobicContact CG2-CG1 3.91Å; T637-V652 HydrophobicContact CG2-CG2 4.28Å; W641-V652 HydrophobicContact CB-CG2 3.41Å; W641-V652 VanDerWaalsContact CB-CG2 3.41Å; W641-V652 HydrophobicContact CG-CG2 3.51Å; V652-L690 WeakPolarHBondContact CA-O 3.46Å; V652-L690 HydrophobicContact CG2-CB 3.99Å; V652-L690 HydrophobicContact CG2-CD1 3.73Å; V652-L786 HydrophobicContact CG1-CD2 4.11Å; V652-I790 HydrophobicContact CB-CD1 4.48Å
653	I	91.7	Very high	85.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138	178	-52.7	161.8	0	0	0	108.9	W678 L679 L682 V689 L690 Y691 L692 W700	I653-W678 HydrophobicContact CD1-CH2 4.46Å; I653-W678 HydrophobicContact CD1-CZ3 4.38Å; I653-W678 HydrophobicContact CG2-CH2 3.8Å; I653-W678 HydrophobicContact CG2-CZ3 4.01Å; I653-L679 HydrophobicContact CD1-CD2 4.3Å; I653-L682 HydrophobicContact CD1-CB 4.38Å; I653-L682 HydrophobicContact CD1-CD1 3.29Å; I653-L682 HydrophobicContact CD1-CG 4.41Å; I653-L682 HydrophobicContact CG1-CD1 4.13Å; I653-V689 HydrophobicContact CD1-CG1 3.43Å; I653-V689 VanDerWaalsContact CD1-CG1 3.43Å; I653-V689 HydrophobicContact CG1-CG1 4.27Å; I653-L690 PolarHBondContact N-O 2.8Å; I653-Y691 HydrophobicContact CD1-CD1 4.33Å; I653-Y691 HydrophobicContact CD1-CE1 4.06Å; I653-L692 WeakPolarHBondContact O-CB 3.37Å; I653-L692 PolarHBondContact O-N 3.27Å; I653-W700 HydrophobicContact CB-CH2 4.32Å; I653-W700 HydrophobicContact CB-CZ2 4.44Å; I653-W700 HydrophobicContact CG2-CH2 3.58Å; I653-W700 HydrophobicContact CG2-CZ2 3.93Å
654	S	90.7	Very high	85.3	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.014	23%	0.234	C	C	.	.			trans	-122.9	163.5	172.7	64.4	0	0	0	0	110.8	N656 M657 L658	S654-N656 PolarHBondContact O-N 2.81Å; S654-M657 PolarHBondContact O-N 2.89Å; S654-M657 WeakPolarHBondContact OG-CG 3.27Å; S654-M657 PolarHBondContact OG-N 2.9Å; S654-L658 PolarHBondContact O-N 2.98Å; S654-L658 VanDerWaalsContact O-N 3.07Å
655	S	87.9	Confident	84.8	Confident	10 Å²	10	47.1 Å²	47.1	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-52.8	-41	173	50.7	0	0	0	0	112.3	L658 L659 D694	S655-L658 WeakPolarHBondContact O-CB 3.42Å; S655-L658 PolarHBondContact O-N 2.82Å; S655-L659 WeakPolarHBondContact O-CG 3.48Å; S655-L659 PolarHBondContact O-N 2.85Å; S655-D694 VanDerWaalsContact CB-OD2 3.31Å; S655-D694 WeakPolarHBondContact CB-OD2 3.36Å; S655-D694 PolarHBondContact OG-OD1 3.45Å; S655-D694 PolarHBondContact OG-OD2 3.04Å
656	N	84.8	Confident	84.3	Confident	40 Å²	40	44 Å²	44	21%	0.214	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-44.9	178.7	-64.6	-29.2	0	0	0	112.7	S654 L658 L659 E660	S654-N656 PolarHBondContact O-N 2.81Å; N656-L658 VanDerWaalsContact C-N 3.25Å; N656-L658 PolarHBondContact O-N 3.36Å; N656-L659 PolarHBondContact O-N 2.76Å; N656-L659 VanDerWaalsContact O-N 3.15Å; N656-E660 PolarHBondContact O-N 2.68Å; N656-E660 VanDerWaalsContact O-N 3.07Å
657	M	84.2	Confident	84.2	Confident	23 Å²	23	43.2 Å²	43.2	11%	0.113	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-37.3	176.9	-72.2	166.1	160.2	0	0	111.7	S654 E660 E661 L786 L787 I790	S654-M657 PolarHBondContact O-N 2.89Å; S654-M657 WeakPolarHBondContact OG-CG 3.27Å; S654-M657 PolarHBondContact OG-N 2.9Å; M657-E660 PolarHBondContact O-N 2.79Å; M657-E661 WeakPolarHBondContact O-CG 3.37Å; M657-E661 PolarHBondContact O-N 3.32Å; M657-L786 HydrophobicContact CE-CB 3.97Å; M657-L786 HydrophobicContact CE-CD2 3.41Å; M657-L786 VanDerWaalsContact CE-CD2 3.41Å; M657-L786 HydrophobicContact CE-CG 3.52Å; M657-L786 HydrophobicContact SD-CD2 3.65Å; M657-L786 HydrophobicContact SD-CG 4.42Å; M657-L787 HydrophobicContact CE-CD2 3.51Å; M657-L787 HydrophobicContact CE-CG 3.65Å; M657-I790 HydrophobicContact CE-CD1 4.18Å
658	L	85.2	Confident	84.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-45.1	175	175.7	71.7	0	0	0	111.8	S654 S655 N656 E660 E661 I662 A666 L667 L675 W678 W700	S654-L658 PolarHBondContact O-N 2.98Å; S654-L658 VanDerWaalsContact O-N 3.07Å; S655-L658 WeakPolarHBondContact O-CB 3.42Å; S655-L658 PolarHBondContact O-N 2.82Å; N656-L658 VanDerWaalsContact C-N 3.25Å; N656-L658 PolarHBondContact O-N 3.36Å; L658-E660 VanDerWaalsContact C-N 3.29Å; L658-E660 PolarHBondContact O-N 3.36Å; L658-E661 PolarHBondContact O-N 3.04Å; L658-I662 HydrophobicContact CD1-CD1 3.52Å; L658-I662 HydrophobicContact CD1-CG1 4.02Å; L658-I662 PolarHBondContact O-N 3.18Å; L658-A666 HydrophobicContact CD2-CB 4.34Å; L658-A666 HydrophobicContact CG-CB 4.17Å; L658-L667 HydrophobicContact CD2-CD2 3.72Å; L658-L667 HydrophobicContact CD2-CG 4.44Å; L658-L675 HydrophobicContact CD1-CD1 3.42Å; L658-L675 VanDerWaalsContact CD1-CD1 3.42Å; L658-L675 HydrophobicContact CD2-CD1 3.63Å; L658-L675 HydrophobicContact CG-CD1 4.16Å; L658-W678 HydrophobicContact CD1-CD2 4.44Å; L658-W678 HydrophobicContact CD1-CE3 3.75Å; L658-W678 HydrophobicContact CD1-CH2 4.04Å; L658-W678 HydrophobicContact CD1-CZ3 3.52Å; L658-W700 HydrophobicContact CD2-CE3 3.63Å; L658-W700 HydrophobicContact CD2-CZ3 3.81Å
659	L	85.1	Confident	83.7	Confident	59 Å²	59	52.7 Å²	52.7	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-67.9	-29.4	-179.6	-64.6	172.3	0	0	0	112.2	S655 N656 G663 A666	S655-L659 WeakPolarHBondContact O-CG 3.48Å; S655-L659 PolarHBondContact O-N 2.85Å; N656-L659 PolarHBondContact O-N 2.76Å; N656-L659 VanDerWaalsContact O-N 3.15Å; L659-G663 WeakPolarHBondContact CD2-O 3.39Å; L659-G663 CarbonylContact O-C 3.44Å; L659-G663 VanDerWaalsContact O-C 3.3Å; L659-G663 WeakPolarHBondContact O-CA 3.4Å; L659-G663 PolarHBondContact O-N 3.24Å; L659-A666 HydrophobicContact CD2-CB 4.36Å
660	E	82.6	Confident	82.8	Confident	134 Å²	134	52.5 Å²	52.5	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-71.5	-41.9	173.7	-71.4	176.2	179	0	0	112.4	N656 M657 L658	N656-E660 PolarHBondContact O-N 2.68Å; N656-E660 VanDerWaalsContact O-N 3.07Å; M657-E660 PolarHBondContact O-N 2.79Å; L658-E660 VanDerWaalsContact C-N 3.29Å; L658-E660 PolarHBondContact O-N 3.36Å
661	E	78.6	Confident	81.9	Confident	141 Å²	141	53.5 Å²	53.5	66%	0.659	28%	0.279	S	S	*	.	H	α-helix	trans	-78.7	-44.2	-176.5	-74	-73.4	160.3	0	0	113.6	M657 L658 W678	M657-E661 WeakPolarHBondContact O-CG 3.37Å; M657-E661 PolarHBondContact O-N 3.32Å; L658-E661 PolarHBondContact O-N 3.04Å; E661-W678 HydrophobicContact CB-CZ2 4.08Å; E661-W678 HydrophobicContact CG-CZ2 4.18Å
662	I	79.4	Confident	81.1	Confident	50 Å²	50	54.9 Å²	54.9	26%	0.256	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-37.1	-176.5	-57.2	-171.2	0	0	0	111.6	L658 A666 W678	L658-I662 HydrophobicContact CD1-CD1 3.52Å; L658-I662 HydrophobicContact CD1-CG1 4.02Å; L658-I662 PolarHBondContact O-N 3.18Å; I662-A666 HydrophobicContact CB-CB 3.83Å; I662-A666 HydrophobicContact CG2-CB 3.74Å; I662-W678 HydrophobicContact CD1-CB 3.9Å; I662-W678 HydrophobicContact CD1-CD2 4.01Å; I662-W678 HydrophobicContact CD1-CE3 4.32Å; I662-W678 HydrophobicContact CD1-CG 3.8Å; I662-W678 HydrophobicContact CG1-CD2 4.48Å; I662-W678 HydrophobicContact CG1-CG 4.34Å
663	G	79.8	Confident	80.2	Confident	17 Å²	17	56.3 Å²	56.3	18%	0.175	29%	0.291	C	S	.	.			trans	121.2	176.1	-177.4	0	0	0	0	0	114.2	L659 N665 A666	L659-G663 WeakPolarHBondContact CD2-O 3.39Å; L659-G663 CarbonylContact O-C 3.44Å; L659-G663 VanDerWaalsContact O-C 3.3Å; L659-G663 WeakPolarHBondContact O-CA 3.4Å; L659-G663 PolarHBondContact O-N 3.24Å; G663-N665 VanDerWaalsContact C-N 3.29Å; G663-N665 PolarHBondContact O-N 3.19Å; G663-A666 VanDerWaalsContact O-CB 3.3Å; G663-A666 WeakPolarHBondContact O-CB 3.36Å; G663-A666 PolarHBondContact O-N 3.31Å
664	P	76.2	Confident	79.5	Confident	112 Å²	112	59.5 Å²	59.5	73%	0.727	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.7	-170.9	25.5	-34.7	0	0	0	114	A666	P664-A666 VanDerWaalsContact C-N 3.31Å; P664-A666 PolarHBondContact O-N 3Å
665	N	77.5	Confident	79.2	Confident	95 Å²	95	59.8 Å²	59.8	51%	0.508	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	14.8	-177.8	-64.1	15.1	0	0	0	112.4	G663 L667 D668 N671	G663-N665 VanDerWaalsContact C-N 3.29Å; G663-N665 PolarHBondContact O-N 3.19Å; N665-L667 PolarHBondContact O-N 3.44Å; N665-D668 WeakPolarHBondContact CB-OD2 3.22Å; N665-D668 WeakPolarHBondContact O-CB 3.4Å; N665-D668 PolarHBondContact O-N 2.58Å; N665-N671 PolarHBondContact O-ND2 3.27Å
666	A	77.6	Confident	78.9	Confident	2 Å²	2	60.8 Å²	60.8	2%	0.017	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.8	-176.7	0	0	0	0	0	113.3	L658 L659 I662 G663 P664 D668	L658-A666 HydrophobicContact CD2-CB 4.34Å; L658-A666 HydrophobicContact CG-CB 4.17Å; L659-A666 HydrophobicContact CD2-CB 4.36Å; I662-A666 HydrophobicContact CB-CB 3.83Å; I662-A666 HydrophobicContact CG2-CB 3.74Å; G663-A666 VanDerWaalsContact O-CB 3.3Å; G663-A666 WeakPolarHBondContact O-CB 3.36Å; G663-A666 PolarHBondContact O-N 3.31Å; P664-A666 VanDerWaalsContact C-N 3.31Å; P664-A666 PolarHBondContact O-N 3Å; A666-D668 VanDerWaalsContact C-N 3.35Å
667	L	80.5	Confident	78.6	Confident	43 Å²	43	59.9 Å²	59.9	23%	0.225	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.7	-179.3	-61.6	176.4	0	0	0	113.7	L658 N665 R699 W700	L658-L667 HydrophobicContact CD2-CD2 3.72Å; L658-L667 HydrophobicContact CD2-CG 4.44Å; N665-L667 PolarHBondContact O-N 3.44Å; L667-R699 VanDerWaalsContact O-CD 3.28Å; L667-R699 WeakPolarHBondContact O-CD 3.43Å; L667-R699 PolarHBondContact O-NH1 3.45Å; L667-W700 HydrophobicContact CD1-CB 4.46Å; L667-W700 HydrophobicContact CD2-CB 3.88Å
668	D	80.2	Confident	78.6	Confident	75 Å²	75	60.1 Å²	60.1	40%	0.401	31%	0.307	S	S	.	.	S	Bend	trans	-74.1	145.4	175.9	-71.2	-23.4	0	0	0	111.7	N665 A666 A670 N671 E672	N665-D668 WeakPolarHBondContact CB-OD2 3.22Å; N665-D668 WeakPolarHBondContact O-CB 3.4Å; N665-D668 PolarHBondContact O-N 2.58Å; A666-D668 VanDerWaalsContact C-N 3.35Å; D668-A670 PolarHBondContact O-N 3.19Å; D668-A670 VanDerWaalsContact O-N 3.13Å; D668-N671 PolarHBondContact O-N 3.29Å; D668-E672 PolarHBondContact O-N 2.94Å
669	R	73.1	Confident	78.7	Confident	183 Å²	183	60.1 Å²	60.1	69%	0.691	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-56.3	-33.1	178.9	-74.7	-177.8	-179.5	171.6	-1.2	112.6	N671 E672	R669-N671 PolarHBondContact O-N 2.75Å; R669-E672 WeakPolarHBondContact O-CB 3.32Å; R669-E672 PolarHBondContact O-N 2.7Å
670	A	70	Confident	78.6	Confident	53 Å²	53	57.4 Å²	57.4	44%	0.438	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-63.9	-24.9	178.9	0	0	0	0	0	113.4	D668	D668-A670 PolarHBondContact O-N 3.19Å; D668-A670 VanDerWaalsContact O-N 3.13Å
671	N	72.2	Confident	78.5	Confident	25 Å²	25	53.3 Å²	53.3	13%	0.134	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-107	8.8	-178	-64.2	-33.5	0	0	0	112.9	N665 D668 R669 Y673 Q674 L675	N665-N671 PolarHBondContact O-ND2 3.27Å; D668-N671 PolarHBondContact O-N 3.29Å; R669-N671 PolarHBondContact O-N 2.75Å; N671-Y673 PolarHBondContact O-N 2.83Å; N671-Q674 WeakPolarHBondContact O-CB 3.24Å; N671-Q674 PolarHBondContact O-N 2.92Å; N671-L675 PolarHBondContact O-N 3.36Å
672	E	74.3	Confident	78.8	Confident	86 Å²	86	47.7 Å²	47.7	40%	0.402	25%	0.246	S	C	.	.	H	α-helix	trans	-56.5	-39.2	-178.7	-176	170.8	-174.3	0	0	112.1	D668 R669 Q674 L675 V676	D668-E672 PolarHBondContact O-N 2.94Å; R669-E672 WeakPolarHBondContact O-CB 3.32Å; R669-E672 PolarHBondContact O-N 2.7Å; E672-Q674 VanDerWaalsContact C-N 3.3Å; E672-Q674 PolarHBondContact O-N 3.03Å; E672-L675 PolarHBondContact O-N 3.19Å; E672-V676 HydrophobicContact CG-CG2 4.35Å; E672-V676 WeakPolarHBondContact O-CB 3.16Å; E672-V676 WeakPolarHBondContact O-CG2 3.3Å; E672-V676 PolarHBondContact O-N 3.42Å
673	Y	72.9	Confident	79.1	Confident	32 Å²	32	45.9 Å²	45.9	13%	0.125	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-38.2	175.8	94.1	-93.4	0	0	0	112.3	R248 Q251 M252 N671 N677	R248-Y673 HydrophobicContact CG-CE1 4.37Å; Q251-Y673 PolarHBondContact OE1-OH 2.9Å; M252-Y673 HydrophobicContact CG-CD2 4.38Å; M252-Y673 HydrophobicContact SD-CD2 3.34Å; M252-Y673 WeakPolarHBondContact SD-CD2 3.28Å; M252-Y673 HydrophobicContact SD-CE2 3.94Å; M252-Y673 HydrophobicContact SD-CG 3.86Å; N671-Y673 PolarHBondContact O-N 2.83Å; Y673-N677 VanDerWaalsContact O-CB 3.23Å; Y673-N677 WeakPolarHBondContact O-CB 3.2Å; Y673-N677 PolarHBondContact O-N 3.36Å
674	Q	76.7	Confident	79.1	Confident	67 Å²	67	47.7 Å²	47.7	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-70.1	-42.3	179.6	-63.5	-172.6	-2.4	0	0	110.4	N671 E672 N677 W678	N671-Q674 WeakPolarHBondContact O-CB 3.24Å; N671-Q674 PolarHBondContact O-N 2.92Å; E672-Q674 VanDerWaalsContact C-N 3.3Å; E672-Q674 PolarHBondContact O-N 3.03Å; Q674-N677 PolarHBondContact O-N 3.32Å; Q674-W678 WeakPolarHBondContact O-CB 3.23Å; Q674-W678 PolarHBondContact O-N 3.02Å
675	L	83.6	Confident	79.3	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-52.5	175.1	174.5	61.7	0	0	0	110.9	L658 N671 E672 N677 W678 L679 W700 V703	L658-L675 HydrophobicContact CD1-CD1 3.42Å; L658-L675 VanDerWaalsContact CD1-CD1 3.42Å; L658-L675 HydrophobicContact CD2-CD1 3.63Å; L658-L675 HydrophobicContact CG-CD1 4.16Å; N671-L675 PolarHBondContact O-N 3.36Å; E672-L675 PolarHBondContact O-N 3.19Å; L675-N677 VanDerWaalsContact C-N 3.34Å; L675-N677 PolarHBondContact O-N 2.67Å; L675-W678 PolarHBondContact O-N 2.83Å; L675-L679 HydrophobicContact CD1-CD1 4.01Å; L675-L679 HydrophobicContact CD1-CG 4.15Å; L675-L679 HydrophobicContact CG-CD1 4.1Å; L675-L679 VanDerWaalsContact O-CG 3.32Å; L675-L679 WeakPolarHBondContact O-CG 3.24Å; L675-L679 PolarHBondContact O-N 3.39Å; L675-W700 HydrophobicContact CD1-CZ3 4.37Å; L675-V703 HydrophobicContact CD2-CG2 4.45Å
676	V	81.8	Confident	79.8	Confident	31 Å²	31	44.6 Å²	44.6	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-45.9	179.1	167.5	0	0	0	0	110.7	E566 E672 W678 L679 S680	E566-V676 WeakPolarHBondContact OE1-CG1 3.47Å; E672-V676 HydrophobicContact CG-CG2 4.35Å; E672-V676 WeakPolarHBondContact O-CB 3.16Å; E672-V676 WeakPolarHBondContact O-CG2 3.3Å; E672-V676 PolarHBondContact O-N 3.42Å; V676-W678 VanDerWaalsContact C-N 3.35Å; V676-W678 PolarHBondContact O-N 3.01Å; V676-L679 PolarHBondContact O-N 3.15Å; V676-S680 PolarHBondContact O-N 3.24Å; V676-S680 PolarHBondContact O-OG 3.23Å
677	N	79	Confident	80.2	Confident	21 Å²	21	47.2 Å²	47.2	11%	0.112	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-42.4	178.6	-165.9	43.6	0	0	0	112.1	R259 E438 Y673 Q674 L675 S680 R681	R259-N677 PolarHBondContact NH1-OD1 3.3Å; R259-N677 PolarHBondContact NH2-OD1 3.44Å; E438-N677 PolarHBondContact OE1-ND2 2.9Å; E438-N677 PolarHBondContact OE1-OD1 2.79Å; E438-N677 VanDerWaalsContact OE1-OD1 3.11Å; Y673-N677 VanDerWaalsContact O-CB 3.23Å; Y673-N677 WeakPolarHBondContact O-CB 3.2Å; Y673-N677 PolarHBondContact O-N 3.36Å; Q674-N677 PolarHBondContact O-N 3.32Å; L675-N677 VanDerWaalsContact C-N 3.34Å; L675-N677 PolarHBondContact O-N 2.67Å; N677-S680 PolarHBondContact O-N 3.46Å; N677-R681 WeakPolarHBondContact O-CG 3.33Å; N677-R681 PolarHBondContact O-N 2.94Å
678	W	83.6	Confident	80.7	Confident	28 Å²	28	45.2 Å²	45.2	11%	0.106	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-44	177.1	-178.9	97.8	0	0	0	111.7	I653 L658 E661 I662 Q674 L675 V676 R681 L682	I653-W678 HydrophobicContact CD1-CH2 4.46Å; I653-W678 HydrophobicContact CD1-CZ3 4.38Å; I653-W678 HydrophobicContact CG2-CH2 3.8Å; I653-W678 HydrophobicContact CG2-CZ3 4.01Å; L658-W678 HydrophobicContact CD1-CD2 4.44Å; L658-W678 HydrophobicContact CD1-CE3 3.75Å; L658-W678 HydrophobicContact CD1-CH2 4.04Å; L658-W678 HydrophobicContact CD1-CZ3 3.52Å; E661-W678 HydrophobicContact CB-CZ2 4.08Å; E661-W678 HydrophobicContact CG-CZ2 4.18Å; I662-W678 HydrophobicContact CD1-CB 3.9Å; I662-W678 HydrophobicContact CD1-CD2 4.01Å; I662-W678 HydrophobicContact CD1-CE3 4.32Å; I662-W678 HydrophobicContact CD1-CG 3.8Å; I662-W678 HydrophobicContact CG1-CD2 4.48Å; I662-W678 HydrophobicContact CG1-CG 4.34Å; Q674-W678 WeakPolarHBondContact O-CB 3.23Å; Q674-W678 PolarHBondContact O-N 3.02Å; L675-W678 PolarHBondContact O-N 2.83Å; V676-W678 VanDerWaalsContact C-N 3.35Å; V676-W678 PolarHBondContact O-N 3.01Å; W678-R681 PolarHBondContact O-N 3.49Å; W678-L682 HydrophobicContact CD2-CD1 3.91Å; W678-L682 HydrophobicContact CE3-CD1 3.74Å; W678-L682 HydrophobicContact CH2-CD1 3.46Å; W678-L682 VanDerWaalsContact CH2-CD1 3.46Å; W678-L682 HydrophobicContact CZ2-CD1 3.63Å; W678-L682 HydrophobicContact CZ3-CD1 3.51Å; W678-L682 PolarHBondContact O-N 2.82Å
679	L	87.4	Confident	81.3	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-44.9	175.6	-70.1	174	0	0	0	112	I653 L675 V676 R681 L682 E683 Y691 W700 V703	I653-L679 HydrophobicContact CD1-CD2 4.3Å; L675-L679 HydrophobicContact CD1-CD1 4.01Å; L675-L679 HydrophobicContact CD1-CG 4.15Å; L675-L679 HydrophobicContact CG-CD1 4.1Å; L675-L679 VanDerWaalsContact O-CG 3.32Å; L675-L679 WeakPolarHBondContact O-CG 3.24Å; L675-L679 PolarHBondContact O-N 3.39Å; V676-L679 PolarHBondContact O-N 3.15Å; L679-R681 VanDerWaalsContact C-N 3.28Å; L679-R681 PolarHBondContact O-N 2.92Å; L679-L682 WeakPolarHBondContact O-CB 3.47Å; L679-L682 PolarHBondContact O-N 3.42Å; L679-E683 PolarHBondContact O-N 2.92Å; L679-Y691 HydrophobicContact CD2-CE1 3.9Å; L679-W700 HydrophobicContact CD2-CH2 4.28Å; L679-W700 HydrophobicContact CD2-CZ3 4.25Å; L679-V703 HydrophobicContact CD1-CG1 3.87Å
680	S	83.3	Confident	82.3	Confident	1 Å²	1	33 Å²	33	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-39.1	175.8	-61.9	0	0	0	0	111.5	V676 N677 L682 E683 D684 R707	V676-S680 PolarHBondContact O-N 3.24Å; V676-S680 PolarHBondContact O-OG 3.23Å; N677-S680 PolarHBondContact O-N 3.46Å; S680-L682 VanDerWaalsContact C-N 3.28Å; S680-L682 PolarHBondContact O-N 3.04Å; S680-E683 CarbonylContact O-C 3.44Å; S680-E683 WeakPolarHBondContact O-CB 3.45Å; S680-E683 PolarHBondContact O-N 3.33Å; S680-D684 PolarHBondContact O-N 3.32Å; S680-R707 PolarHBondContact OG-NH2 3.38Å
681	R	81.2	Confident	83.5	Confident	49 Å²	49	30.5 Å²	30.5	19%	0.185	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-32.3	174.7	-69.1	-177.8	-48.7	128.7	15.6	113.3	N437 N677 W678 L679 D684 S685	N437-R681 PolarHBondContact ND2-NH1 3.38Å; N437-R681 VanDerWaalsContact ND2-NH1 3.14Å; N437-R681 WeakPolarHBondContact O-CD 3.13Å; N677-R681 WeakPolarHBondContact O-CG 3.33Å; N677-R681 PolarHBondContact O-N 2.94Å; W678-R681 PolarHBondContact O-N 3.49Å; L679-R681 VanDerWaalsContact C-N 3.28Å; L679-R681 PolarHBondContact O-N 2.92Å; R681-D684 PolarHBondContact O-N 2.9Å; R681-S685 WeakPolarHBondContact O-CB 3.45Å; R681-S685 PolarHBondContact O-N 3.09Å; R681-S685 PolarHBondContact O-OG 3.25Å
682	L	85	Confident	84.5	Confident	22 Å²	22	29.6 Å²	29.6	12%	0.115	15%	0.15	C	C	.	.	H	α-helix	trans	-72.8	-39.8	174.2	-65	172.4	0	0	0	111.2	I653 W678 L679 S680 D684 S685 Y686 V689	I653-L682 HydrophobicContact CD1-CB 4.38Å; I653-L682 HydrophobicContact CD1-CD1 3.29Å; I653-L682 HydrophobicContact CD1-CG 4.41Å; I653-L682 HydrophobicContact CG1-CD1 4.13Å; W678-L682 HydrophobicContact CD2-CD1 3.91Å; W678-L682 HydrophobicContact CE3-CD1 3.74Å; W678-L682 HydrophobicContact CH2-CD1 3.46Å; W678-L682 VanDerWaalsContact CH2-CD1 3.46Å; W678-L682 HydrophobicContact CZ2-CD1 3.63Å; W678-L682 HydrophobicContact CZ3-CD1 3.51Å; W678-L682 PolarHBondContact O-N 2.82Å; L679-L682 WeakPolarHBondContact O-CB 3.47Å; L679-L682 PolarHBondContact O-N 3.42Å; S680-L682 VanDerWaalsContact C-N 3.28Å; S680-L682 PolarHBondContact O-N 3.04Å; L682-D684 PolarHBondContact O-N 3.23Å; L682-S685 PolarHBondContact O-N 2.84Å; L682-Y686 HydrophobicContact CD2-CD2 4.28Å; L682-Y686 HydrophobicContact CD2-CE2 3.88Å; L682-Y686 WeakPolarHBondContact O-CD2 3.44Å; L682-Y686 PolarHBondContact O-N 3.2Å; L682-V689 HydrophobicContact CB-CG2 4.48Å
683	E	85.1	Confident	85.3	Confident	12 Å²	12	25.6 Å²	25.6	6%	0.056	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-30.4	170.7	-67.5	178.5	-141.4	0	0	112.1	S518 R563 T621 L679 S680 Y686 V689 Y691 R707	S518-E683 PolarHBondContact OG-OE2 2.98Å; R563-E683 IonicContact CZ-OE2 3.37Å; R563-E683 IonicContact NH1-OE1 3.77Å; R563-E683 IonicContact NH1-OE2 2.65Å; R563-E683 PolarHBondContact NH1-OE2 3.45Å; R563-E683 IonicContact NH2-OE2 2.8Å; R563-E683 PolarHBondContact NH2-OE2 3.38Å; T621-E683 HydrophobicContact CG2-CG 3.67Å; L679-E683 PolarHBondContact O-N 2.92Å; S680-E683 CarbonylContact O-C 3.44Å; S680-E683 WeakPolarHBondContact O-CB 3.45Å; S680-E683 PolarHBondContact O-N 3.33Å; E683-Y686 VanDerWaalsContact O-O 3.11Å; E683-V689 HydrophobicContact CG-CG2 4.47Å; E683-Y691 PolarHBondContact OE1-OH 3.41Å; E683-R707 IonicContact OE1-NE 2.64Å
684	D	79	Confident	86.1	Confident	55 Å²	55	26 Å²	26	29%	0.294	14%	0.136	S	C	.	.	H	α-helix	trans	-75.9	-37.4	176.3	-69.4	13.9	0	0	0	112.9	R540 S680 R681 L682	R540-D684 VanDerWaalsContact CZ-CG 3.5Å; R540-D684 IonicContact CZ-OD1 2.73Å; R540-D684 IonicContact CZ-OD2 3.57Å; R540-D684 IonicContact NE-OD1 2.71Å; R540-D684 IonicContact NH1-OD1 3.47Å; R540-D684 PolarHBondContact NH1-OD1 3.42Å; R540-D684 IonicContact NH1-OD2 3.16Å; R540-D684 IonicContact NH2-OD1 3.71Å; R540-D684 PolarHBondContact NH2-OD1 2.83Å; R540-D684 IonicContact NH2-OD2 2.71Å; R540-D684 PolarHBondContact NH2-OD2 3.43Å; S680-D684 PolarHBondContact O-N 3.32Å; R681-D684 PolarHBondContact O-N 2.9Å; L682-D684 PolarHBondContact O-N 3.23Å
685	S	82	Confident	86.5	Confident	66 Å²	66	26.2 Å²	26.2	46%	0.462	14%	0.139	S	C	.	.	H	α-helix	trans	-83.8	-28.6	-173.8	-57.4	0	0	0	0	112.8	R681 L682	R681-S685 WeakPolarHBondContact O-CB 3.45Å; R681-S685 PolarHBondContact O-N 3.09Å; R681-S685 PolarHBondContact O-OG 3.25Å; L682-S685 PolarHBondContact O-N 2.84Å
686	Y	86.9	Confident	86.7	Confident	76 Å²	76	33.1 Å²	33.1	30%	0.298	17%	0.171	S	C	.	.			trans	-118.7	144.3	-174.9	-62.1	-77.5	0	0	0	111.5	H651 L682 E683	H651-Y686 HydrophobicContact CB-CD1 3.79Å; H651-Y686 HydrophobicContact CB-CD2 3.63Å; H651-Y686 HydrophobicContact CB-CE1 3.94Å; H651-Y686 HydrophobicContact CB-CE2 3.77Å; H651-Y686 HydrophobicContact CB-CG 3.64Å; H651-Y686 AromaticContact CG-CE2 3.77Å; H651-Y686 AromaticContact CG-CZ 3.9Å; H651-Y686 AromaticContact ND1-CZ 3.91Å; L682-Y686 HydrophobicContact CD2-CD2 4.28Å; L682-Y686 HydrophobicContact CD2-CE2 3.88Å; L682-Y686 WeakPolarHBondContact O-CD2 3.44Å; L682-Y686 PolarHBondContact O-N 3.2Å; E683-Y686 VanDerWaalsContact O-O 3.11Å
687	S	86.1	Confident	86.8	Confident	58 Å²	58	34.4 Å²	34.4	41%	0.406	18%	0.177	S	C	.	.	S	Bend	trans	-70.8	-35.3	176.9	-54.8	0	0	0	0	112.2	S649	S649-S687 WeakPolarHBondContact O-CB 3.31Å; S649-S687 PolarHBondContact O-N 3.2Å; S649-S687 VanDerWaalsContact O-N 3.11Å
688	I	90.6	Very high	87.2	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.4	174.8	-59.2	177.7	0	0	0	110.4	N620 I622 L644 K648 S649 T650 H651 T812	N620-I688 CarbonylContact O-C 3.48Å; N620-I688 WeakPolarHBondContact O-CA 3.29Å; I622-I688 HydrophobicContact CD1-CG2 3.97Å; I622-I688 HydrophobicContact CG1-CG2 4.36Å; L644-I688 HydrophobicContact CD2-CD1 4.35Å; K648-I688 HydrophobicContact CB-CD1 4.32Å; K648-I688 HydrophobicContact CD-CD1 4.09Å; K648-I688 HydrophobicContact CD-CG1 4.41Å; S649-I688 PolarHBondContact O-N 3.14Å; T650-I688 VanDerWaalsContact CA-O 3.23Å; T650-I688 WeakPolarHBondContact CA-O 3.4Å; T650-I688 HydrophobicContact CG2-CB 3.66Å; T650-I688 HydrophobicContact CG2-CD1 4.35Å; T650-I688 HydrophobicContact CG2-CG1 4.37Å; T650-I688 HydrophobicContact CG2-CG2 4.25Å; H651-I688 PolarHBondContact N-O 3.21Å; I688-T812 HydrophobicContact CD1-CG2 3.59Å
689	V	93.1	Very high	87.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	172.8	-175.9	0	0	0	0	109.6	N620 T621 I622 I653 L682 E683 Y691	N620-V689 PolarHBondContact O-N 3.48Å; T621-V689 WeakPolarHBondContact CA-O 3.35Å; T621-V689 HydrophobicContact CG2-CB 4.47Å; I622-V689 PolarHBondContact N-O 2.75Å; I653-V689 HydrophobicContact CD1-CG1 3.43Å; I653-V689 VanDerWaalsContact CD1-CG1 3.43Å; I653-V689 HydrophobicContact CG1-CG1 4.27Å; L682-V689 HydrophobicContact CB-CG2 4.48Å; E683-V689 HydrophobicContact CG-CG2 4.47Å; V689-Y691 HydrophobicContact CB-CE1 4.44Å; V689-Y691 HydrophobicContact CG1-CD1 4Å; V689-Y691 HydrophobicContact CG1-CE1 3.46Å; V689-Y691 VanDerWaalsContact CG1-CE1 3.46Å
690	L	94.2	Very high	87.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.3	176.1	-69.4	166.2	0	0	0	109.8	I622 V624 L640 W641 L644 H651 V652 I653	I622-L690 HydrophobicContact CB-CD2 3.91Å; I622-L690 HydrophobicContact CD1-CD2 4.43Å; I622-L690 HydrophobicContact CG2-CD2 4.06Å; I622-L690 CarbonylContact O-C 3.54Å; I622-L690 WeakPolarHBondContact O-CA 3.32Å; V624-L690 HydrophobicContact CG2-CD2 4.47Å; L640-L690 HydrophobicContact CD2-CD2 4.23Å; W641-L690 HydrophobicContact CB-CD1 3.85Å; L644-L690 HydrophobicContact CD1-CD1 3.94Å; L644-L690 HydrophobicContact CD1-CD2 3.93Å; L644-L690 HydrophobicContact CD1-CG 4.29Å; H651-L690 PolarHBondContact O-N 2.94Å; V652-L690 WeakPolarHBondContact CA-O 3.46Å; V652-L690 HydrophobicContact CG2-CB 3.99Å; V652-L690 HydrophobicContact CG2-CD1 3.73Å; I653-L690 PolarHBondContact N-O 2.8Å
691	Y	94.7	Very high	87.8	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.7	173.8	-56.6	-51.5	0	0	0	110.4	T621 I622 V624 I653 L679 E683 V689 C693 W700 C704 R707	T621-Y691 HydrophobicContact CG2-CE2 4Å; I622-Y691 PolarHBondContact O-N 3.47Å; V624-Y691 PolarHBondContact N-O 2.88Å; I653-Y691 HydrophobicContact CD1-CD1 4.33Å; I653-Y691 HydrophobicContact CD1-CE1 4.06Å; L679-Y691 HydrophobicContact CD2-CE1 3.9Å; E683-Y691 PolarHBondContact OE1-OH 3.41Å; V689-Y691 HydrophobicContact CB-CE1 4.44Å; V689-Y691 HydrophobicContact CG1-CD1 4Å; V689-Y691 HydrophobicContact CG1-CE1 3.46Å; V689-Y691 VanDerWaalsContact CG1-CE1 3.46Å; Y691-C693 PolarHBondContact O-N 3.44Å; Y691-W700 HydrophobicContact CD1-CH2 4.34Å; Y691-C704 HydrophobicContact CD2-CB 4.28Å; Y691-C704 HydrophobicContact CG-CB 4.16Å; Y691-R707 HydrophobicContact CE2-CB 4.45Å
692	L	93.5	Very high	88.2	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	107.8	169.3	-175.7	67.5	0	0	0	108.5	L633 T637 I653 W700 L786	L633-L692 HydrophobicContact CD2-CD1 3.71Å; L633-L692 HydrophobicContact CG-CD1 3.62Å; T637-L692 HydrophobicContact CG2-CD1 4.27Å; T637-L692 WeakPolarHBondContact OG1-CD1 3.32Å; I653-L692 WeakPolarHBondContact O-CB 3.37Å; I653-L692 PolarHBondContact O-N 3.27Å; L692-W700 PolarHBondContact O-NE1 3.39Å; L692-L786 HydrophobicContact CD2-CD2 4.23Å
693	C	92.3	Very high	88.3	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.02	21%	0.205	C	C	.	.			trans	-80.5	153.9	176.8	-61.2	0	0	0	0	111	V624 I625 L633 Y691 T701	V624-C693 VanDerWaalsContact O-CB 3.26Å; V624-C693 WeakPolarHBondContact O-CB 3.42Å; V624-C693 PolarHBondContact O-N 2.86Å; V624-C693 VanDerWaalsContact O-N 3.16Å; I625-C693 HydrophobicContact CG1-CB 4.11Å; L633-C693 VanDerWaalsContact CD2-O 3.3Å; L633-C693 WeakPolarHBondContact CD2-O 3.34Å; Y691-C693 PolarHBondContact O-N 3.44Å; C693-T701 HydrophobicContact CB-CG2 3.85Å
694	D	89.8	Confident	88.6	Confident	40 Å²	40	38.9 Å²	38.9	21%	0.214	20%	0.203	C	C	.	.			trans	-81.9	168.3	173.2	-60.6	-47.7	0	0	0	110.3	S655 E696 N698 T701 I726	S655-D694 VanDerWaalsContact CB-OD2 3.31Å; S655-D694 WeakPolarHBondContact CB-OD2 3.36Å; S655-D694 PolarHBondContact OG-OD1 3.45Å; S655-D694 PolarHBondContact OG-OD2 3.04Å; D694-E696 VanDerWaalsContact C-N 3.27Å; D694-E696 PolarHBondContact O-N 3.04Å; D694-N698 PolarHBondContact OD2-ND2 3.39Å; D694-T701 PolarHBondContact N-OG1 2.97Å; D694-T701 VanDerWaalsContact N-OG1 3.09Å; D694-I726 VanDerWaalsContact O-CD1 3.24Å; D694-I726 WeakPolarHBondContact O-CD1 3.16Å
695	L	85.1	Confident	89.2	Confident	72 Å²	72	36.3 Å²	36.3	38%	0.377	19%	0.189	S	C	.	.	S	Bend	trans	-71.8	-22.9	178.9	-66.3	174.7	0	0	0	113.2	A626 D629 I726	A626-L695 HydrophobicContact CB-CD2 3.8Å; D629-L695 HydrophobicContact CB-CD1 3.99Å; L695-I726 WeakPolarHBondContact O-CD1 2.9Å
696	E	86.5	Confident	89.5	Confident	153 Å²	153	36.8 Å²	36.8	72%	0.715	18%	0.18	S	C	*	.	S	Bend	trans	-104.7	147.8	177.3	-62.5	-175.9	172	0	0	110.4	D694 N698 T701	D694-E696 VanDerWaalsContact C-N 3.27Å; D694-E696 PolarHBondContact O-N 3.04Å; E696-N698 PolarHBondContact O-N 3.32Å; E696-T701 PolarHBondContact O-OG1 3.4Å
697	L	84.9	Confident	89.6	Confident	58 Å²	58	33.7 Å²	33.7	30%	0.304	17%	0.168	S	C	.	.			trans	-73.7	74.9	172.2	-173.2	68.3	0	0	0	110.5	T701 I705 I726 Q729	L697-T701 HydrophobicContact CD1-CG2 4.06Å; L697-I705 HydrophobicContact CD1-CD1 4.13Å; L697-I726 HydrophobicContact CB-CG1 4.44Å; L697-Q729 HydrophobicContact CD2-CB 3.89Å; L697-Q729 VanDerWaalsContact CD2-CD 3.44Å; L697-Q729 HydrophobicContact CD2-CG 4.23Å
698	N	87	Confident	89.9	Confident	53 Å²	53	31 Å²	31	28%	0.283	15%	0.149	S	C	.	.			trans	-85.1	177	168.1	66.8	5.7	0	0	0	110.8	D694 E696 W700 T701 S702	D694-N698 PolarHBondContact OD2-ND2 3.39Å; E696-N698 PolarHBondContact O-N 3.32Å; N698-W700 VanDerWaalsContact C-N 3.32Å; N698-W700 PolarHBondContact O-N 3.4Å; N698-W700 PolarHBondContact OD1-N 3.23Å; N698-T701 PolarHBondContact O-N 3.43Å; N698-T701 VanDerWaalsContact OD1-CB 3.24Å; N698-T701 WeakPolarHBondContact OD1-CB 3.46Å; N698-T701 PolarHBondContact OD1-N 2.89Å; N698-T701 PolarHBondContact OD1-OG1 3.33Å; N698-S702 PolarHBondContact O-N 3.14Å
699	R	85.6	Confident	89.8	Confident	110 Å²	110	31 Å²	31	42%	0.415	15%	0.15	S	C	.	.	H	α-helix	trans	-59.6	-42.3	179.3	-76.5	-166.4	-175.4	152.6	6.1	112.7	L667 T701 S702 V703	L667-R699 VanDerWaalsContact O-CD 3.28Å; L667-R699 WeakPolarHBondContact O-CD 3.43Å; L667-R699 PolarHBondContact O-NH1 3.45Å; R699-T701 PolarHBondContact O-N 3.31Å; R699-S702 WeakPolarHBondContact CA-OG 3.33Å; R699-S702 PolarHBondContact O-N 3.19Å; R699-S702 PolarHBondContact O-OG 3.3Å; R699-V703 WeakPolarHBondContact O-CG2 3.42Å; R699-V703 PolarHBondContact O-N 3.16Å
700	W	90.4	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-53.8	-55.2	175.8	170.4	-112.1	0	0	0	111.2	I653 L658 L667 L675 L679 Y691 L692 N698 S702 V703 C704	I653-W700 HydrophobicContact CB-CH2 4.32Å; I653-W700 HydrophobicContact CB-CZ2 4.44Å; I653-W700 HydrophobicContact CG2-CH2 3.58Å; I653-W700 HydrophobicContact CG2-CZ2 3.93Å; L658-W700 HydrophobicContact CD2-CE3 3.63Å; L658-W700 HydrophobicContact CD2-CZ3 3.81Å; L667-W700 HydrophobicContact CD1-CB 4.46Å; L667-W700 HydrophobicContact CD2-CB 3.88Å; L675-W700 HydrophobicContact CD1-CZ3 4.37Å; L679-W700 HydrophobicContact CD2-CH2 4.28Å; L679-W700 HydrophobicContact CD2-CZ3 4.25Å; Y691-W700 HydrophobicContact CD1-CH2 4.34Å; L692-W700 PolarHBondContact O-NE1 3.39Å; N698-W700 VanDerWaalsContact C-N 3.32Å; N698-W700 PolarHBondContact O-N 3.4Å; N698-W700 PolarHBondContact OD1-N 3.23Å; W700-S702 VanDerWaalsContact C-N 3.3Å; W700-S702 PolarHBondContact O-N 2.96Å; W700-V703 PolarHBondContact O-N 2.62Å; W700-V703 VanDerWaalsContact O-N 3.1Å; W700-C704 VanDerWaalsContact CD2-SG 3.6Å; W700-C704 WeakPolarHBondContact CZ2-SG 3.44Å; W700-C704 PolarHBondContact O-N 3.24Å; W700-C704 PolarHBondContact O-SG 3Å
701	T	90.7	Very high	89.5	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-39.7	179.8	-59.3	0	0	0	0	111.6	C693 D694 E696 L697 N698 R699 C704 I705 I726	C693-T701 HydrophobicContact CB-CG2 3.85Å; D694-T701 PolarHBondContact N-OG1 2.97Å; D694-T701 VanDerWaalsContact N-OG1 3.09Å; E696-T701 PolarHBondContact O-OG1 3.4Å; L697-T701 HydrophobicContact CD1-CG2 4.06Å; N698-T701 PolarHBondContact O-N 3.43Å; N698-T701 VanDerWaalsContact OD1-CB 3.24Å; N698-T701 WeakPolarHBondContact OD1-CB 3.46Å; N698-T701 PolarHBondContact OD1-N 2.89Å; N698-T701 PolarHBondContact OD1-OG1 3.33Å; R699-T701 PolarHBondContact O-N 3.31Å; T701-C704 PolarHBondContact O-N 3.29Å; T701-I705 HydrophobicContact CG2-CD1 3.8Å; T701-I705 HydrophobicContact CG2-CG1 4.45Å; T701-I705 WeakPolarHBondContact O-CB 3.47Å; T701-I705 VanDerWaalsContact O-CG1 3.23Å; T701-I705 WeakPolarHBondContact O-CG1 3.27Å; T701-I705 PolarHBondContact O-N 3.48Å; T701-I726 HydrophobicContact CG2-CD1 4.2Å
702	S	89.4	Confident	89.5	Confident	39 Å²	39	31 Å²	31	27%	0.273	15%	0.149	S	C	.	.	H	α-helix	trans	-63.8	-40.5	175.1	74.5	0	0	0	0	113.3	N698 R699 W700 R706	N698-S702 PolarHBondContact O-N 3.14Å; R699-S702 WeakPolarHBondContact CA-OG 3.33Å; R699-S702 PolarHBondContact O-N 3.19Å; R699-S702 PolarHBondContact O-OG 3.3Å; W700-S702 VanDerWaalsContact C-N 3.3Å; W700-S702 PolarHBondContact O-N 2.96Å; S702-R706 WeakPolarHBondContact O-CB 3.3Å; S702-R706 WeakPolarHBondContact O-CG 3.31Å; S702-R706 PolarHBondContact O-N 2.84Å
703	V	88.4	Confident	89.5	Confident	24 Å²	24	30.9 Å²	30.9	15%	0.145	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-44.5	176.7	171.4	0	0	0	0	110.3	L675 L679 R699 W700 I705 R706 R707	L675-V703 HydrophobicContact CD2-CG2 4.45Å; L679-V703 HydrophobicContact CD1-CG1 3.87Å; R699-V703 WeakPolarHBondContact O-CG2 3.42Å; R699-V703 PolarHBondContact O-N 3.16Å; W700-V703 PolarHBondContact O-N 2.62Å; W700-V703 VanDerWaalsContact O-N 3.1Å; V703-I705 PolarHBondContact O-N 3.37Å; V703-R706 PolarHBondContact O-N 3.31Å; V703-R707 HydrophobicContact CG1-CG 4.5Å; V703-R707 WeakPolarHBondContact O-CB 3.45Å; V703-R707 PolarHBondContact O-N 3.01Å
704	C	91	Very high	89.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-45.2	177.2	-66.6	0	0	0	0	112	Y691 W700 T701 R707 A708	Y691-C704 HydrophobicContact CD2-CB 4.28Å; Y691-C704 HydrophobicContact CG-CB 4.16Å; W700-C704 VanDerWaalsContact CD2-SG 3.6Å; W700-C704 WeakPolarHBondContact CZ2-SG 3.44Å; W700-C704 PolarHBondContact O-N 3.24Å; W700-C704 PolarHBondContact O-SG 3Å; T701-C704 PolarHBondContact O-N 3.29Å; C704-R707 PolarHBondContact O-N 2.82Å; C704-A708 VanDerWaalsContact O-CB 3.26Å; C704-A708 WeakPolarHBondContact O-CB 3.44Å; C704-A708 PolarHBondContact O-N 3.48Å
705	I	90.9	Very high	89.6	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-44	177.8	-72	168.5	0	0	0	111	I625 L697 T701 V703 R707 I711 I726 L730 L733 V735	I625-I705 HydrophobicContact CD1-CD1 3.83Å; I625-I705 HydrophobicContact CD1-CG1 3.8Å; L697-I705 HydrophobicContact CD1-CD1 4.13Å; T701-I705 HydrophobicContact CG2-CD1 3.8Å; T701-I705 HydrophobicContact CG2-CG1 4.45Å; T701-I705 WeakPolarHBondContact O-CB 3.47Å; T701-I705 VanDerWaalsContact O-CG1 3.23Å; T701-I705 WeakPolarHBondContact O-CG1 3.27Å; T701-I705 PolarHBondContact O-N 3.48Å; V703-I705 PolarHBondContact O-N 3.37Å; I705-R707 VanDerWaalsContact C-N 3.35Å; I705-R707 PolarHBondContact O-N 2.82Å; I705-I711 HydrophobicContact CG2-CD1 3.99Å; I705-I726 HydrophobicContact CD1-CG2 3.92Å; I705-L730 HydrophobicContact CG2-CD1 4.35Å; I705-L733 HydrophobicContact CG2-CD1 4.39Å; I705-V735 HydrophobicContact CG2-CB 4.42Å; I705-V735 HydrophobicContact CG2-CG1 4.18Å; I705-V735 HydrophobicContact CG2-CG2 3.71Å
706	R	88.4	Confident	89.8	Confident	76 Å²	76	26.5 Å²	26.5	29%	0.287	13%	0.126	S	C	.	.	H	α-helix	trans	-72.2	-23.6	-178.7	-73.9	-175	68.1	179.7	6.4	114.1	E498 R563 D564 S702 V703	E498-R706 IonicContact OE1-CZ 3.19Å; E498-R706 IonicContact OE1-NH1 2.75Å; E498-R706 IonicContact OE1-NH2 3.43Å; E498-R706 PolarHBondContact OE1-NH2 3.21Å; R563-R706 WeakPolarHBondContact CA-O 3.23Å; R563-R706 WeakPolarHBondContact CB-O 3.49Å; D564-R706 PolarHBondContact N-O 3.36Å; D564-R706 IonicContact OD1-CZ 2.67Å; D564-R706 VanDerWaalsContact OD1-CZ 3.32Å; D564-R706 IonicContact OD1-NE 2.99Å; D564-R706 PolarHBondContact OD1-NE 2.94Å; D564-R706 VanDerWaalsContact OD1-NE 3.15Å; D564-R706 IonicContact OD1-NH2 3.78Å; D564-R706 PolarHBondContact OD1-NH2 2.78Å; D564-R706 WeakPolarHBondContact OD2-CB 3.47Å; D564-R706 IonicContact OD2-CZ 3.03Å; D564-R706 IonicContact OD2-NE 2.65Å; D564-R706 PolarHBondContact OD2-NE 3.44Å; D564-R706 IonicContact OD2-NH1 3.49Å; D564-R706 IonicContact OD2-NH2 3.34Å; D564-R706 PolarHBondContact OD2-NH2 3.22Å; S702-R706 WeakPolarHBondContact O-CB 3.3Å; S702-R706 WeakPolarHBondContact O-CG 3.31Å; S702-R706 PolarHBondContact O-N 2.84Å; V703-R706 PolarHBondContact O-N 3.31Å
707	R	90.2	Very high	89.8	Confident	12 Å²	12	19.4 Å²	19.4	5%	0.045	9%	0.094	C	C	.	.	H	α-helix	trans	-100.2	-6.2	178.2	-67.7	-174.1	92.2	85.6	-7	114.5	R563 E566 T621 S680 E683 Y691 V703 C704 I705	R563-R707 WeakPolarHBondContact CD-O 3.3Å; E566-R707 IonicContact OE1-NH2 2.79Å; T621-R707 PolarHBondContact OG1-O 3.35Å; S680-R707 PolarHBondContact OG-NH2 3.38Å; E683-R707 IonicContact OE1-NE 2.64Å; Y691-R707 HydrophobicContact CE2-CB 4.45Å; V703-R707 HydrophobicContact CG1-CG 4.5Å; V703-R707 WeakPolarHBondContact O-CB 3.45Å; V703-R707 PolarHBondContact O-N 3.01Å; C704-R707 PolarHBondContact O-N 2.82Å; I705-R707 VanDerWaalsContact C-N 3.35Å; I705-R707 PolarHBondContact O-N 2.82Å
708	A	90.8	Very high	89.8	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.			trans	-77.9	136.6	-180	0	0	0	0	0	112.1	T621 A623 C704 I711 A737	T621-A708 WeakPolarHBondContact OG1-CA 3.35Å; A623-A708 HydrophobicContact CB-CB 3.58Å; C704-A708 VanDerWaalsContact O-CB 3.26Å; C704-A708 WeakPolarHBondContact O-CB 3.44Å; C704-A708 PolarHBondContact O-N 3.48Å; A708-I711 HydrophobicContact CB-CG1 4.2Å; A708-A737 WeakPolarHBondContact O-CB 3.48Å
709	D	88.8	Confident	89.7	Confident	3 Å²	3	20.9 Å²	20.9	2%	0.016	10%	0.101	C	C	.	.	S	Bend	trans	-74	-35.8	167.9	-61.4	-37.6	0	0	0	110.8	R520 R563 L619 N620 T621 Q738	R520-D709 WeakPolarHBondContact CB-OD1 3.44Å; R520-D709 IonicContact NH1-OD2 3.26Å; R563-D709 VanDerWaalsContact CD-OD1 3.27Å; R563-D709 WeakPolarHBondContact CD-OD1 3.41Å; R563-D709 IonicContact CZ-OD1 3.54Å; R563-D709 IonicContact NE-OD1 3.01Å; R563-D709 PolarHBondContact NE-OD1 2.87Å; R563-D709 IonicContact NH2-OD1 2.7Å; L619-D709 HydrophobicContact CD2-CB 3.72Å; N620-D709 PolarHBondContact N-OD2 2.91Å; T621-D709 PolarHBondContact N-OD2 3.5Å; T621-D709 VanDerWaalsContact N-OD2 3.16Å; T621-D709 WeakPolarHBondContact O-CB 3.28Å; T621-D709 PolarHBondContact O-N 3.22Å; T621-D709 PolarHBondContact OG1-N 3.43Å; D709-Q738 PolarHBondContact O-N 3.15Å
710	C	89.8	Confident	89.7	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.3	179	-175.9	0	0	0	0	111.6	L619 T621 I622 A623 Q738	L619-C710 HydrophobicContact CD1-CB 3.74Å; L619-C710 HydrophobicContact CD2-CB 3.83Å; L619-C710 HydrophobicContact CG-CB 4.42Å; T621-C710 PolarHBondContact O-N 3.18Å; I622-C710 CarbonylContact C-O 3.59Å; I622-C710 WeakPolarHBondContact CA-O 3.44Å; A623-C710 PolarHBondContact N-O 2.94Å; C710-Q738 CarbonylContact C-O 3.59Å; C710-Q738 WeakPolarHBondContact CA-O 3.49Å
711	I	92.4	Very high	89.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.1	179.9	-57.2	177.6	0	0	0	108.6	A623 I625 I705 A708 I713 L730 V735 A737 Q738 K739 E740	A623-I711 WeakPolarHBondContact O-CA 3.31Å; I625-I711 HydrophobicContact CD1-CG2 3.45Å; I625-I711 VanDerWaalsContact CD1-CG2 3.45Å; I625-I711 HydrophobicContact CG1-CG2 4.11Å; I705-I711 HydrophobicContact CG2-CD1 3.99Å; A708-I711 HydrophobicContact CB-CG1 4.2Å; I711-I713 HydrophobicContact CG2-CG1 4.36Å; I711-L730 HydrophobicContact CD1-CD1 3.87Å; I711-L730 HydrophobicContact CG2-CD1 4.27Å; I711-V735 HydrophobicContact CD1-CG1 3.83Å; I711-A737 HydrophobicContact CD1-CB 4.08Å; I711-A737 HydrophobicContact CG1-CB 4.12Å; I711-Q738 PolarHBondContact N-O 2.88Å; I711-K739 HydrophobicContact CB-CG 4.36Å; I711-K739 WeakPolarHBondContact O-CA 3.3Å; I711-E740 PolarHBondContact O-N 2.93Å
712	L	93.7	Very high	89.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.7	175.9	-56.5	-175.1	0	0	0	109.4	I622 A623 V624 I625 L640 E740 I742 L811	I622-L712 HydrophobicContact CG2-CD1 3.59Å; I622-L712 HydrophobicContact CG2-CD2 4.38Å; I622-L712 HydrophobicContact CG2-CG 3.6Å; A623-L712 PolarHBondContact O-N 2.94Å; V624-L712 HydrophobicContact CG1-CB 4.35Å; V624-L712 HydrophobicContact CG2-CD1 4.4Å; I625-L712 PolarHBondContact N-O 3.47Å; L640-L712 HydrophobicContact CD2-CD1 3.73Å; L712-E740 HydrophobicContact CD2-CB 3.9Å; L712-E740 HydrophobicContact CD2-CG 4.45Å; L712-I742 HydrophobicContact CB-CD1 3.83Å; L712-I742 HydrophobicContact CD1-CD1 3.9Å; L712-I742 HydrophobicContact CD2-CD1 4.12Å; L712-I742 HydrophobicContact CG-CD1 4.15Å; L712-L811 HydrophobicContact CD1-CD1 3.92Å; L712-L811 HydrophobicContact CD2-CD1 4.42Å; L712-L811 HydrophobicContact CD2-CD2 3.92Å
713	I	93	Very high	89	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	110.2	177.8	-61.4	169.4	0	0	0	107.3	V627 I711 E740 L741 I742 W764 V765	V627-I713 HydrophobicContact CG2-CG2 3.37Å; I711-I713 HydrophobicContact CG2-CG1 4.36Å; I713-E740 PolarHBondContact N-O 2.84Å; I713-L741 HydrophobicContact CB-CD1 4.28Å; I713-L741 HydrophobicContact CG2-CD1 3.94Å; I713-I742 PolarHBondContact O-N 3.3Å; I713-W764 HydrophobicContact CD1-CH2 3.33Å; I713-W764 HydrophobicContact CD1-CZ3 3.41Å; I713-W764 VanDerWaalsContact CD1-CZ3 3.41Å; I713-V765 HydrophobicContact CD1-CG2 4.42Å
714	V	93.4	Very high	88.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.4	-175.2	-169.3	0	0	0	0	109.3	V624 I625 V627 V631 L633 F636 I742 L744	V624-V714 HydrophobicContact CG1-CG2 3.61Å; I625-V714 PolarHBondContact O-N 2.78Å; V627-V714 PolarHBondContact N-O 2.82Å; V631-V714 HydrophobicContact CG1-CB 4.04Å; V631-V714 HydrophobicContact CG1-CG1 3.56Å; L633-V714 HydrophobicContact CD1-CB 4.38Å; L633-V714 HydrophobicContact CD1-CG2 4.22Å; F636-V714 HydrophobicContact CD1-CG1 4.26Å; F636-V714 HydrophobicContact CD1-CG2 3.82Å; F636-V714 HydrophobicContact CE1-CG2 3.67Å; F636-V714 HydrophobicContact CG-CG1 4.39Å; F636-V714 HydrophobicContact CZ-CG2 4.46Å; V714-I742 WeakPolarHBondContact CA-O 3.26Å; V714-I742 HydrophobicContact CG2-CB 4.41Å; V714-I742 HydrophobicContact CG2-CD1 4.36Å; V714-L744 HydrophobicContact CG1-CD1 3.59Å; V714-L744 HydrophobicContact CG1-CD2 4.19Å; V714-L744 HydrophobicContact CG1-CG 3.71Å
715	A	91.7	Very high	88.7	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.6	177	0	0	0	0	0	111.2	V627 I742 L743 L744 W758	V627-A715 HydrophobicContact CB-CB 4.03Å; V627-A715 HydrophobicContact CG2-CB 3.77Å; A715-I742 PolarHBondContact N-O 3.38Å; A715-L743 HydrophobicContact CB-CD2 3.88Å; A715-L743 WeakPolarHBondContact O-CA 3.4Å; A715-L744 PolarHBondContact O-N 3.26Å; A715-W758 HydrophobicContact CB-CE3 4.17Å; A715-W758 HydrophobicContact CB-CH2 3.71Å; A715-W758 HydrophobicContact CB-CZ2 4.48Å; A715-W758 HydrophobicContact CB-CZ3 3.52Å
716	N	89.1	Confident	88.4	Confident	21 Å²	21	32 Å²	32	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.2	169.4	-175.4	-0.3	0	0	0	109.2	E718 S719 L744 W758	N716-E718 PolarHBondContact O-N 2.96Å; N716-E718 PolarHBondContact OD1-N 3.18Å; N716-S719 PolarHBondContact O-N 3.07Å; N716-S719 VanDerWaalsContact O-N 3.15Å; N716-S719 PolarHBondContact O-OG 2.89Å; N716-L744 PolarHBondContact OD1-O 3.48Å; N716-W758 WeakPolarHBondContact O-CZ2 3.18Å
717	G	86.3	Confident	88.3	Confident	5 Å²	5	28.7 Å²	28.7	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.8	-178.5	0	0	0	0	0	114	S719 L744 W745	G717-S719 VanDerWaalsContact C-N 3.34Å; G717-L744 PolarHBondContact N-O 2.93Å; G717-W745 WeakPolarHBondContact O-CH2 3.08Å; G717-W745 VanDerWaalsContact O-CZ3 3.24Å; G717-W745 WeakPolarHBondContact O-CZ3 3.38Å
718	E	84.8	Confident	88	Confident	110 Å²	110	33.2 Å²	33.2	51%	0.514	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.3	175.7	-67	-174.5	-176.3	0	0	113.4	N716 W745 E746 I749	N716-E718 PolarHBondContact O-N 2.96Å; N716-E718 PolarHBondContact OD1-N 3.18Å; E718-W745 HydrophobicContact CG-CE3 4.19Å; E718-W745 HydrophobicContact CG-CZ3 4.38Å; E718-E746 WeakPolarHBondContact OE1-CB 3.37Å; E718-I749 HydrophobicContact CG-CD1 3.7Å; E718-I749 WeakPolarHBondContact OE1-CD1 3.47Å
719	S	85.9	Confident	87.5	Confident	31 Å²	31	36.8 Å²	36.8	22%	0.217	20%	0.199	C	C	.	.	S	Bend	trans	-75.6	160.5	-179.8	69	0	0	0	0	111.8	N716 G717 W758	N716-S719 PolarHBondContact O-N 3.07Å; N716-S719 VanDerWaalsContact O-N 3.15Å; N716-S719 PolarHBondContact O-OG 2.89Å; G717-S719 VanDerWaalsContact C-N 3.34Å; S719-W758 WeakPolarHBondContact O-CZ2 3.45Å
720	E	85.2	Confident	87.1	Confident	166 Å²	166	37 Å²	37	78%	0.776	20%	0.2	S	C	*	.			trans	-64.8	141.4	173.8	-67.4	-172.2	168	0	0	110.5	V722	E720-V722 PolarHBondContact O-N 3.21Å
721	P	84.9	Confident	86.4	Confident	33 Å²	33	42.2 Å²	42.2	21%	0.214	22%	0.224	C	C	.	.			trans	-66.3	105.3	-178.4	27.4	-34.1	0	0	0	110.9	E757 W758 L761	P721-E757 HydrophobicContact CB-CB 4.41Å; P721-E757 HydrophobicContact CG-CB 3.95Å; P721-W758 HydrophobicContact CB-CD2 3.8Å; P721-W758 HydrophobicContact CB-CE3 4.35Å; P721-W758 HydrophobicContact CB-CG 3.94Å; P721-W758 HydrophobicContact CB-CZ2 4.28Å; P721-L761 HydrophobicContact CB-CD1 4.01Å; P721-L761 WeakPolarHBondContact O-CD1 3.47Å
722	V	86.3	Confident	85.6	Confident	87 Å²	87	50.6 Å²	50.6	53%	0.527	26%	0.261	S	S	.	.			trans	-122.7	146.2	177.9	178.5	0	0	0	0	109.4	V627 E720 R762	V627-V722 WeakPolarHBondContact CG1-O 3.26Å; E720-V722 PolarHBondContact O-N 3.21Å; V722-R762 PolarHBondContact O-NH2 3.1Å
723	V	84.9	Confident	84.6	Confident	36 Å²	36	53.4 Å²	53.4	22%	0.218	28%	0.275	C	S	.	.			trans	-88.5	123.7	172.1	-176.3	0	0	0	0	108.7	E727 Q728 L761	V723-E727 HydrophobicContact CG1-CB 3.99Å; V723-E727 HydrophobicContact CG1-CG 3.66Å; V723-Q728 HydrophobicContact CB-CG 4.48Å; V723-Q728 HydrophobicContact CG1-CG 3.77Å; V723-Q728 PolarHBondContact O-NE2 2.71Å; V723-L761 HydrophobicContact CG2-CB 3.98Å; V723-L761 HydrophobicContact CG2-CD1 4.27Å
724	G	85.1	Confident	83.5	Confident	6 Å²	6	54.7 Å²	54.7	6%	0.062	29%	0.286	C	S	.	.			trans	-67.6	163.2	-175.8	0	0	0	0	0	113.6	V627 E727 Q728	V627-G724 WeakPolarHBondContact O-CA 3.39Å; G724-E727 PolarHBondContact N-OE2 3.4Å; G724-E727 WeakPolarHBondContact O-CB 3.28Å; G724-E727 PolarHBondContact O-N 3.34Å; G724-Q728 WeakPolarHBondContact O-CG 3.39Å; G724-Q728 PolarHBondContact O-N 3.38Å
725	S	86.1	Confident	82.7	Confident	76 Å²	76	55 Å²	55	53%	0.531	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-47.9	178.2	53.9	0	0	0	0	112.6	E727 Q728 Q729	S725-E727 VanDerWaalsContact C-N 3.26Å; S725-E727 PolarHBondContact O-N 3.49Å; S725-Q728 PolarHBondContact O-N 3.19Å; S725-Q729 PolarHBondContact O-N 2.73Å
726	I	86	Confident	82.1	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-39.5	175	-66.1	169.7	0	0	0	110.2	I625 D694 L695 L697 T701 I705 Q728 Q729 L730	I625-I726 HydrophobicContact CD1-CG2 4.2Å; I625-I726 HydrophobicContact CG2-CB 4.25Å; I625-I726 HydrophobicContact CG2-CD1 4.15Å; I625-I726 HydrophobicContact CG2-CG2 3.96Å; D694-I726 VanDerWaalsContact O-CD1 3.24Å; D694-I726 WeakPolarHBondContact O-CD1 3.16Å; L695-I726 WeakPolarHBondContact O-CD1 2.9Å; L697-I726 HydrophobicContact CB-CG1 4.44Å; T701-I726 HydrophobicContact CG2-CD1 4.2Å; I705-I726 HydrophobicContact CD1-CG2 3.92Å; I726-Q728 PolarHBondContact O-N 3.25Å; I726-Q729 CarbonylContact O-C 3.11Å; I726-Q729 WeakPolarHBondContact O-CB 3.45Å; I726-Q729 PolarHBondContact O-N 3.24Å; I726-Q729 VanDerWaalsContact O-N 3.09Å; I726-L730 WeakPolarHBondContact O-CB 3.4Å; I726-L730 PolarHBondContact O-N 3.4Å
727	E	85.4	Confident	81.9	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-43.9	-179.1	-175	176.2	-169	0	0	112.1	V723 G724 S725 Q729 L730 E731 R762 W764	V723-E727 HydrophobicContact CG1-CB 3.99Å; V723-E727 HydrophobicContact CG1-CG 3.66Å; G724-E727 PolarHBondContact N-OE2 3.4Å; G724-E727 WeakPolarHBondContact O-CB 3.28Å; G724-E727 PolarHBondContact O-N 3.34Å; S725-E727 VanDerWaalsContact C-N 3.26Å; S725-E727 PolarHBondContact O-N 3.49Å; E727-Q729 PolarHBondContact O-N 2.86Å; E727-L730 WeakPolarHBondContact O-CB 3.47Å; E727-L730 PolarHBondContact O-N 2.94Å; E727-E731 PolarHBondContact O-N 3.08Å; E727-R762 WeakPolarHBondContact OE1-CD 3.4Å; E727-R762 WeakPolarHBondContact OE1-CG 3.45Å; E727-R762 IonicContact OE1-CZ 2.96Å; E727-R762 IonicContact OE1-NE 3.37Å; E727-R762 PolarHBondContact OE1-NE 2.73Å; E727-R762 IonicContact OE1-NH2 3.28Å; E727-R762 PolarHBondContact OE1-NH2 3.05Å; E727-R762 IonicContact OE2-CZ 3.95Å; E727-R762 IonicContact OE2-NE 2.61Å; E727-R762 PolarHBondContact OE2-NE 3.44Å; E727-R762 IonicContact OE2-NH2 3.77Å; E727-R762 PolarHBondContact OE2-NH2 3.4Å; E727-W764 HydrophobicContact CG-CH2 3.71Å; E727-W764 HydrophobicContact CG-CZ2 3.48Å; E727-W764 VanDerWaalsContact CG-CZ2 3.48Å; E727-W764 WeakPolarHBondContact OE1-CZ2 3.45Å
728	Q	84.1	Confident	81.7	Confident	107 Å²	107	54.6 Å²	54.6	50%	0.5	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-28.1	173.8	-68.4	173	16.4	0	0	113	V723 G724 S725 I726	V723-Q728 HydrophobicContact CB-CG 4.48Å; V723-Q728 HydrophobicContact CG1-CG 3.77Å; V723-Q728 PolarHBondContact O-NE2 2.71Å; G724-Q728 WeakPolarHBondContact O-CG 3.39Å; G724-Q728 PolarHBondContact O-N 3.38Å; S725-Q728 PolarHBondContact O-N 3.19Å; I726-Q728 PolarHBondContact O-N 3.25Å
729	Q	81.1	Confident	81.8	Confident	75 Å²	75	50.2 Å²	50.2	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-81.8	-34.5	175.1	-67.6	174.9	-50.7	0	0	111.6	L697 S725 I726 E727 E731 K732 L733	L697-Q729 HydrophobicContact CD2-CB 3.89Å; L697-Q729 VanDerWaalsContact CD2-CD 3.44Å; L697-Q729 HydrophobicContact CD2-CG 4.23Å; S725-Q729 PolarHBondContact O-N 2.73Å; I726-Q729 CarbonylContact O-C 3.11Å; I726-Q729 WeakPolarHBondContact O-CB 3.45Å; I726-Q729 PolarHBondContact O-N 3.24Å; I726-Q729 VanDerWaalsContact O-N 3.09Å; E727-Q729 PolarHBondContact O-N 2.86Å; Q729-E731 VanDerWaalsContact C-N 3.27Å; Q729-E731 PolarHBondContact O-N 2.71Å; Q729-K732 CarbonylContact O-C 3.37Å; Q729-K732 WeakPolarHBondContact O-CA 3.36Å; Q729-K732 VanDerWaalsContact O-CB 3.29Å; Q729-K732 WeakPolarHBondContact O-CB 3.41Å; Q729-K732 PolarHBondContact O-N 3.48Å; Q729-L733 WeakPolarHBondContact O-CG 3.37Å; Q729-L733 PolarHBondContact O-N 3.46Å
730	L	80.6	Confident	82	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-34.5	178.1	-176.1	153	0	0	0	111.7	I625 I705 I711 I726 E727 K732 L733 K739 W764	I625-L730 HydrophobicContact CD1-CD1 4.13Å; I705-L730 HydrophobicContact CG2-CD1 4.35Å; I711-L730 HydrophobicContact CD1-CD1 3.87Å; I711-L730 HydrophobicContact CG2-CD1 4.27Å; I726-L730 WeakPolarHBondContact O-CB 3.4Å; I726-L730 PolarHBondContact O-N 3.4Å; E727-L730 WeakPolarHBondContact O-CB 3.47Å; E727-L730 PolarHBondContact O-N 2.94Å; L730-K732 PolarHBondContact O-N 2.93Å; L730-L733 PolarHBondContact O-N 3.32Å; L730-L733 VanDerWaalsContact O-N 3.16Å; L730-L733 VanDerWaalsContact O-O 3.12Å; L730-K739 HydrophobicContact CD2-CD 3.73Å; L730-W764 HydrophobicContact CD2-CH2 4.15Å; L730-W764 HydrophobicContact CD2-CZ3 4.38Å
731	E	73.9	Confident	82.3	Confident	111 Å²	111	40.9 Å²	40.9	52%	0.519	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.1	170.7	-171	173.5	-167.1	0	0	113.1	E727 Q729	E727-E731 PolarHBondContact O-N 3.08Å; Q729-E731 VanDerWaalsContact C-N 3.27Å; Q729-E731 PolarHBondContact O-N 2.71Å
732	K	76	Confident	82.7	Confident	176 Å²	176	39.3 Å²	39.3	77%	0.765	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-22.8	174.7	-56.6	174.5	-174.8	175	0	112.5	Q729 L730	Q729-K732 CarbonylContact O-C 3.37Å; Q729-K732 WeakPolarHBondContact O-CA 3.36Å; Q729-K732 VanDerWaalsContact O-CB 3.29Å; Q729-K732 WeakPolarHBondContact O-CB 3.41Å; Q729-K732 PolarHBondContact O-N 3.48Å; L730-K732 PolarHBondContact O-N 2.93Å
733	L	72.7	Confident	83.1	Confident	59 Å²	59	35.3 Å²	35.3	31%	0.309	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	142.7	177.3	-66.3	174.4	0	0	0	109.6	I705 Q729 L730 V735	I705-L733 HydrophobicContact CG2-CD1 4.39Å; Q729-L733 WeakPolarHBondContact O-CG 3.37Å; Q729-L733 PolarHBondContact O-N 3.46Å; L730-L733 PolarHBondContact O-N 3.32Å; L730-L733 VanDerWaalsContact O-N 3.16Å; L730-L733 VanDerWaalsContact O-O 3.12Å; L733-V735 HydrophobicContact CB-CG2 3.77Å; L733-V735 PolarHBondContact O-N 3.26Å
734	A	70.9	Confident	83.4	Confident	30 Å²	30	33.6 Å²	33.6	25%	0.248	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	36	179.2	0	0	0	0	0	114.4	D121 G500 R736	D121-A734 WeakPolarHBondContact OD2-CB 3.29Å; G500-A734 WeakPolarHBondContact CA-O 3.31Å; A734-R736 PolarHBondContact O-N 2.75Å
735	V	74.8	Confident	83.6	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.036	17%	0.17	C	C	.	.			trans	-89.9	114.3	-167.6	179.6	0	0	0	0	111	I705 I711 L733 A737 K739	I705-V735 HydrophobicContact CG2-CB 4.42Å; I705-V735 HydrophobicContact CG2-CG1 4.18Å; I705-V735 HydrophobicContact CG2-CG2 3.71Å; I711-V735 HydrophobicContact CD1-CG1 3.83Å; L733-V735 HydrophobicContact CB-CG2 3.77Å; L733-V735 PolarHBondContact O-N 3.26Å; V735-A737 HydrophobicContact CG1-CB 3.79Å; V735-K739 PolarHBondContact O-NZ 3.11Å
736	R	80.7	Confident	83.6	Confident	13 Å²	13	31.6 Å²	31.6	5%	0.049	15%	0.151	C	C	.	.			trans	-93.1	0.4	-177.6	-54.6	-52.7	-167.5	-119.5	4.3	114.2	Q116 E119 D121 A734	Q116-R736 WeakPolarHBondContact O-CD 3.48Å; Q116-R736 PolarHBondContact O-NE 2.75Å; E119-R736 PolarHBondContact O-NE 2.7Å; E119-R736 PolarHBondContact O-NH2 2.85Å; D121-R736 IonicContact OD1-CZ 2.75Å; D121-R736 IonicContact OD1-NH2 3.67Å; D121-R736 PolarHBondContact OD1-NH2 2.84Å; A734-R736 PolarHBondContact O-N 2.75Å
737	A	84.3	Confident	83.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.008	17%	0.173	C	C	.	.	S	Bend	trans	-54	149.7	174.5	0	0	0	0	0	112.3	I562 A708 I711 V735 K739	I562-A737 HydrophobicContact CG2-CB 4.34Å; A708-A737 WeakPolarHBondContact O-CB 3.48Å; I711-A737 HydrophobicContact CD1-CB 4.08Å; I711-A737 HydrophobicContact CG1-CB 4.12Å; V735-A737 HydrophobicContact CG1-CB 3.79Å; A737-K739 PolarHBondContact O-NZ 3.02Å
738	Q	82	Confident	83.1	Confident	5 Å²	5	39.8 Å²	39.8	2%	0.023	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	142.6	174.6	175.3	166.1	-33.5	0	0	109.8	H615 D709 C710 I711 E740	H615-Q738 PolarHBondContact ND1-NE2 2.77Å; D709-Q738 PolarHBondContact O-N 3.15Å; C710-Q738 CarbonylContact C-O 3.59Å; C710-Q738 WeakPolarHBondContact CA-O 3.49Å; I711-Q738 PolarHBondContact N-O 2.88Å; Q738-E740 HydrophobicContact CG-CG 4.27Å; Q738-E740 PolarHBondContact NE2-OE1 2.79Å
739	K	87.4	Confident	83.1	Confident	18 Å²	18	36.6 Å²	36.6	8%	0.078	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.4	-175.7	-57.6	166.5	-168.5	72.7	0	108.9	I711 L730 V735 A737 W764 S766	I711-K739 HydrophobicContact CB-CG 4.36Å; I711-K739 WeakPolarHBondContact O-CA 3.3Å; L730-K739 HydrophobicContact CD2-CD 3.73Å; V735-K739 PolarHBondContact O-NZ 3.11Å; A737-K739 PolarHBondContact O-NZ 3.02Å; K739-W764 HydrophobicContact CB-CE3 3.92Å; K739-W764 HydrophobicContact CB-CZ3 3.67Å; K739-W764 HydrophobicContact CD-CD2 4.24Å; K739-W764 HydrophobicContact CD-CE3 3.21Å; K739-W764 HydrophobicContact CD-CH2 4.23Å; K739-W764 HydrophobicContact CD-CZ3 3.23Å; K739-W764 HydrophobicContact CG-CE3 4.15Å; K739-W764 HydrophobicContact CG-CZ3 3.93Å; K739-S766 PolarHBondContact O-N 2.91Å
740	E	89.1	Confident	83	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133	-178	-59.7	-170.2	166.6	0	0	110.5	H615 I711 L712 I713 Q738 S767 Y769 L811	H615-E740 IonicContact CE1-OE1 3.59Å; H615-E740 PolarHBondContact CE1-OE1 2.89Å; H615-E740 IonicContact ND1-OE1 3.67Å; H615-E740 PolarHBondContact ND1-OE1 3Å; I711-E740 PolarHBondContact O-N 2.93Å; L712-E740 HydrophobicContact CD2-CB 3.9Å; L712-E740 HydrophobicContact CD2-CG 4.45Å; I713-E740 PolarHBondContact N-O 2.84Å; Q738-E740 HydrophobicContact CG-CG 4.27Å; Q738-E740 PolarHBondContact NE2-OE1 2.79Å; E740-S767 WeakPolarHBondContact CA-O 3.42Å; E740-Y769 WeakPolarHBondContact OE2-CE2 3.21Å; E740-L811 VanDerWaalsContact OE2-CD2 3.23Å; E740-L811 WeakPolarHBondContact OE2-CD2 3.35Å
741	L	92.3	Very high	83.1	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.2	178.7	179.5	68	0	0	0	110.5	I713 L743 W758 L759 V765 S767 H768 Y769	I713-L741 HydrophobicContact CB-CD1 4.28Å; I713-L741 HydrophobicContact CG2-CD1 3.94Å; L741-L743 HydrophobicContact CD1-CD2 4.11Å; L741-L743 HydrophobicContact CD2-CD2 4.07Å; L741-L743 HydrophobicContact CD2-CG 4.45Å; L741-L743 HydrophobicContact CG-CD2 3.99Å; L741-L743 HydrophobicContact CG-CG 4.39Å; L741-W758 HydrophobicContact CD2-CB 4.07Å; L741-L759 HydrophobicContact CD2-CD2 3.81Å; L741-L759 HydrophobicContact CD2-CG 4.48Å; L741-V765 HydrophobicContact CB-CG1 3.84Å; L741-S767 PolarHBondContact N-O 2.84Å; L741-H768 HydrophobicContact CB-CB 4.23Å; L741-H768 CarbonylContact O-C 3.26Å; L741-H768 WeakPolarHBondContact O-CA 3.44Å; L741-Y769 PolarHBondContact O-N 2.97Å
742	I	93.5	Very high	83.8	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.6	178.4	-57	176	0	0	0	108	F636 L712 I713 V714 A715 L744 V771 L807	F636-I742 HydrophobicContact CE1-CD1 4.09Å; F636-I742 HydrophobicContact CE2-CG2 4.13Å; F636-I742 HydrophobicContact CZ-CD1 3.66Å; F636-I742 HydrophobicContact CZ-CG2 4.07Å; L712-I742 HydrophobicContact CB-CD1 3.83Å; L712-I742 HydrophobicContact CD1-CD1 3.9Å; L712-I742 HydrophobicContact CD2-CD1 4.12Å; L712-I742 HydrophobicContact CG-CD1 4.15Å; I713-I742 PolarHBondContact O-N 3.3Å; V714-I742 WeakPolarHBondContact CA-O 3.26Å; V714-I742 HydrophobicContact CG2-CB 4.41Å; V714-I742 HydrophobicContact CG2-CD1 4.36Å; A715-I742 PolarHBondContact N-O 3.38Å; I742-L744 HydrophobicContact CG2-CD2 4.03Å; I742-V771 HydrophobicContact CG2-CG2 3.93Å; I742-L807 HydrophobicContact CD1-CD1 4.33Å; I742-L807 HydrophobicContact CD1-CD2 3.57Å; I742-L807 HydrophobicContact CG1-CD2 4.36Å
743	L	93.4	Very high	84.2	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.7	173.3	-56.2	-174.8	0	0	0	109.6	A715 L741 W745 T755 W758 Y769 V771	A715-L743 HydrophobicContact CB-CD2 3.88Å; A715-L743 WeakPolarHBondContact O-CA 3.4Å; L741-L743 HydrophobicContact CD1-CD2 4.11Å; L741-L743 HydrophobicContact CD2-CD2 4.07Å; L741-L743 HydrophobicContact CD2-CG 4.45Å; L741-L743 HydrophobicContact CG-CD2 3.99Å; L741-L743 HydrophobicContact CG-CG 4.39Å; L743-W745 HydrophobicContact CD1-CZ2 4.29Å; L743-W745 VanDerWaalsContact O-CD1 3.3Å; L743-T755 HydrophobicContact CD1-CG2 3.89Å; L743-W758 HydrophobicContact CD1-CG 4.22Å; L743-W758 HydrophobicContact CD2-CD2 3.96Å; L743-W758 HydrophobicContact CD2-CE3 4.13Å; L743-W758 HydrophobicContact CD2-CG 4.21Å; L743-Y769 PolarHBondContact N-O 3.39Å; L743-V771 PolarHBondContact O-N 2.9Å
744	L	91.6	Very high	84.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.5	173.5	-56.9	-175.8	0	0	0	109.3	V631 P632 F636 V714 A715 N716 G717 I742 V771 F778	V631-L744 HydrophobicContact CG1-CD1 4.16Å; P632-L744 HydrophobicContact CG-CD1 4.04Å; F636-L744 HydrophobicContact CB-CD1 4.43Å; F636-L744 HydrophobicContact CD2-CD2 3.65Å; F636-L744 HydrophobicContact CE2-CD2 3.96Å; F636-L744 HydrophobicContact CG-CD2 4.42Å; V714-L744 HydrophobicContact CG1-CD1 3.59Å; V714-L744 HydrophobicContact CG1-CD2 4.19Å; V714-L744 HydrophobicContact CG1-CG 3.71Å; A715-L744 PolarHBondContact O-N 3.26Å; N716-L744 PolarHBondContact OD1-O 3.48Å; G717-L744 PolarHBondContact N-O 2.93Å; I742-L744 HydrophobicContact CG2-CD2 4.03Å; L744-V771 HydrophobicContact CD2-CB 4.01Å; L744-V771 HydrophobicContact CD2-CG1 4.15Å; L744-F778 HydrophobicContact CB-CE1 4.31Å
745	W	90.4	Very high	85.4	Confident	11 Å²	11	37.1 Å²	37.1	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.3	179.2	-64.7	98.2	0	0	0	110	G717 E718 L743 I749 P752 K753 T755 H770 V771 R772 F773 W920	G717-W745 WeakPolarHBondContact O-CH2 3.08Å; G717-W745 VanDerWaalsContact O-CZ3 3.24Å; G717-W745 WeakPolarHBondContact O-CZ3 3.38Å; E718-W745 HydrophobicContact CG-CE3 4.19Å; E718-W745 HydrophobicContact CG-CZ3 4.38Å; L743-W745 HydrophobicContact CD1-CZ2 4.29Å; L743-W745 VanDerWaalsContact O-CD1 3.3Å; W745-I749 HydrophobicContact CB-CD1 4.13Å; W745-I749 HydrophobicContact CD2-CD1 4.37Å; W745-I749 HydrophobicContact CE3-CD1 3.5Å; W745-I749 HydrophobicContact CZ3-CD1 4.29Å; W745-P752 HydrophobicContact CD2-CB 4.48Å; W745-P752 HydrophobicContact CH2-CB 4.21Å; W745-P752 HydrophobicContact CZ2-CB 3.5Å; W745-P752 VanDerWaalsContact CZ2-CB 3.5Å; W745-P752 HydrophobicContact CZ2-CG 4.41Å; W745-K753 WeakPolarHBondContact CH2-O 3.38Å; W745-T755 HydrophobicContact CZ2-CG2 4.26Å; W745-H770 AromaticContact NE1-CG 3.57Å; W745-H770 AromaticContact NE1-ND1 3.21Å; W745-H770 PolarHBondContact NE1-ND1 3.24Å; W745-V771 PolarHBondContact N-O 2.88Å; W745-R772 CarbonylContact O-C 3.51Å; W745-R772 WeakPolarHBondContact O-CA 3.47Å; W745-F773 PolarHBondContact O-N 3.45Å; W745-W920 HydrophobicContact CB-CH2 3.56Å; W745-W920 HydrophobicContact CB-CZ3 3.91Å; W745-W920 AromaticContact CD1-CH2 3.98Å; W745-W920 AromaticContact CD1-CZ3 3.64Å; W745-W920 AromaticContact CG-CH2 3.78Å; W745-W920 HydrophobicContact CG-CH2 3.78Å; W745-W920 AromaticContact CG-CZ3 3.91Å; W745-W920 HydrophobicContact CG-CZ3 3.91Å
746	E	84.9	Confident	85.7	Confident	29 Å²	29	37.3 Å²	37.3	14%	0.136	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	139.6	171.2	-149.7	-153.1	-107	0	0	111.8	E718 T748 I749 K775 F778	E718-E746 WeakPolarHBondContact OE1-CB 3.37Å; E746-T748 PolarHBondContact O-N 3.13Å; E746-T748 WeakPolarHBondContact OE2-CB 3.49Å; E746-T748 WeakPolarHBondContact OE2-CG2 3.36Å; E746-T748 PolarHBondContact OE2-OG1 3.37Å; E746-I749 HydrophobicContact CB-CD1 4.28Å; E746-I749 HydrophobicContact CB-CG1 4.5Å; E746-I749 WeakPolarHBondContact O-CB 3.44Å; E746-I749 WeakPolarHBondContact O-CG1 3.43Å; E746-I749 PolarHBondContact O-N 3.14Å; E746-K775 VanDerWaalsContact CD-CG 3.47Å; E746-K775 HydrophobicContact CG-CG 4.01Å; E746-K775 WeakPolarHBondContact OE1-CG 3.19Å; E746-K775 IonicContact OE1-NZ 3.15Å; E746-K775 PolarHBondContact OE1-NZ 2.85Å; E746-K775 WeakPolarHBondContact OE2-CE 3.45Å; E746-K775 IonicContact OE2-NZ 2.92Å; E746-K775 PolarHBondContact OE2-NZ 2.85Å; E746-F778 HydrophobicContact CB-CE2 4.26Å; E746-F778 HydrophobicContact CG-CE2 4Å
747	D	79.2	Confident	86	Confident	88 Å²	88	41 Å²	41	47%	0.471	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-15.8	-176.7	-157.2	21.8	0	0	0	114.6	F773	D747-F773 PolarHBondContact N-O 3.26Å
748	T	81.1	Confident	86.1	Confident	96 Å²	96	41.2 Å²	41.2	59%	0.589	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.7	177.9	60.7	0	0	0	0	114	E746	E746-T748 PolarHBondContact O-N 3.13Å; E746-T748 WeakPolarHBondContact OE2-CB 3.49Å; E746-T748 WeakPolarHBondContact OE2-CG2 3.36Å; E746-T748 PolarHBondContact OE2-OG1 3.37Å
749	I	84	Confident	86.2	Confident	40 Å²	40	41 Å²	41	21%	0.205	20%	0.199	C	C	.	.			trans	-75.3	134.3	-176.1	-61.3	166.6	0	0	0	110.2	E718 W745 E746 N751	E718-I749 HydrophobicContact CG-CD1 3.7Å; E718-I749 WeakPolarHBondContact OE1-CD1 3.47Å; W745-I749 HydrophobicContact CB-CD1 4.13Å; W745-I749 HydrophobicContact CD2-CD1 4.37Å; W745-I749 HydrophobicContact CE3-CD1 3.5Å; W745-I749 HydrophobicContact CZ3-CD1 4.29Å; E746-I749 HydrophobicContact CB-CD1 4.28Å; E746-I749 HydrophobicContact CB-CG1 4.5Å; E746-I749 WeakPolarHBondContact O-CB 3.44Å; E746-I749 WeakPolarHBondContact O-CG1 3.43Å; E746-I749 PolarHBondContact O-N 3.14Å; I749-N751 WeakPolarHBondContact CG2-O 3.45Å
750	K	79.5	Confident	85.9	Confident	181 Å²	181	43.8 Å²	43.8	79%	0.787	21%	0.214	S	C	*	.	S	Bend	trans	-68.6	-56.8	177.6	-66.1	-174.6	178.3	-178.4	0	111.8	W920	K750-W920 PolarHBondContact O-NE1 3.45Å
751	N	83.3	Confident	85.5	Confident	33 Å²	33	48 Å²	48	18%	0.176	24%	0.236	C	C	.	.	S	Bend	trans	-139.9	141.2	-176.6	-62.8	38.4	0	0	0	110.2	I749 M862 I914	I749-N751 WeakPolarHBondContact CG2-O 3.45Å; N751-M862 WeakPolarHBondContact ND2-CG 3.42Å; N751-I914 WeakPolarHBondContact ND2-CD1 3.37Å
752	P	87.6	Confident	84.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.013	24%	0.236	C	C	.	.			trans	-52.1	152.1	164.8	-26.2	35.5	0	0	0	111.8	W745 T755 H770 D918 W920	W745-P752 HydrophobicContact CD2-CB 4.48Å; W745-P752 HydrophobicContact CH2-CB 4.21Å; W745-P752 HydrophobicContact CZ2-CB 3.5Å; W745-P752 VanDerWaalsContact CZ2-CB 3.5Å; W745-P752 HydrophobicContact CZ2-CG 4.41Å; P752-T755 HydrophobicContact CB-CG2 4.08Å; P752-H770 HydrophobicContact CG-CB 4.27Å; P752-D918 HydrophobicContact CB-CB 4.4Å; P752-D918 WeakPolarHBondContact CB-O 3.21Å; P752-D918 VanDerWaalsContact CD-O 3.24Å; P752-D918 WeakPolarHBondContact CD-O 3.03Å; P752-D918 VanDerWaalsContact CG-O 3.32Å; P752-D918 WeakPolarHBondContact CG-O 3.47Å; P752-W920 VanDerWaalsContact CD-CE2 3.49Å; P752-W920 HydrophobicContact CG-CD2 3.97Å; P752-W920 HydrophobicContact CG-CE3 3.97Å; P752-W920 HydrophobicContact CG-CH2 4.11Å; P752-W920 HydrophobicContact CG-CZ2 4.13Å; P752-W920 HydrophobicContact CG-CZ3 4.03Å
753	K	84.5	Confident	83.8	Confident	138 Å²	138	50.1 Å²	50.1	60%	0.6	26%	0.259	S	S	*	.			trans	-142.6	156.6	177.5	-63.3	-176.4	-178.3	178.7	0	110.4	W745 T755	W745-K753 WeakPolarHBondContact CH2-O 3.38Å; K753-T755 PolarHBondContact O-N 3.34Å; K753-T755 VanDerWaalsContact O-N 3.11Å
754	H	84.1	Confident	82.9	Confident	114 Å²	114	51.5 Å²	51.5	53%	0.528	26%	0.264	S	S	.	.			trans	58.9	20.1	174.3	-55.7	-179.1	0	0	0	114.2	A756 E757 W758	H754-A756 PolarHBondContact O-N 2.9Å; H754-E757 HydrophobicContact CB-CG 4.45Å; H754-E757 WeakPolarHBondContact O-CB 3.43Å; H754-E757 PolarHBondContact O-N 3.35Å; H754-W758 PolarHBondContact O-N 3.41Å
755	T	86.2	Confident	82.4	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-31.5	179.5	58	0	0	0	0	112	L743 W745 P752 K753 E757 W758 L759 H770 E917 D918	L743-T755 HydrophobicContact CD1-CG2 3.89Å; W745-T755 HydrophobicContact CZ2-CG2 4.26Å; P752-T755 HydrophobicContact CB-CG2 4.08Å; K753-T755 PolarHBondContact O-N 3.34Å; K753-T755 VanDerWaalsContact O-N 3.11Å; T755-E757 VanDerWaalsContact C-N 3.31Å; T755-E757 PolarHBondContact O-N 3.48Å; T755-W758 WeakPolarHBondContact O-CB 3.3Å; T755-W758 PolarHBondContact O-N 3Å; T755-L759 VanDerWaalsContact O-CG 3.26Å; T755-L759 WeakPolarHBondContact O-CG 3.48Å; T755-L759 PolarHBondContact O-N 3.17Å; T755-L759 VanDerWaalsContact O-N 3.09Å; T755-H770 WeakPolarHBondContact CG2-CE1 3.4Å; T755-H770 WeakPolarHBondContact CG2-NE2 3.46Å; T755-E917 WeakPolarHBondContact OG1-CB 3.42Å; T755-D918 VanDerWaalsContact CB-OD1 3.26Å; T755-D918 WeakPolarHBondContact CB-OD1 3.49Å; T755-D918 WeakPolarHBondContact CG2-OD1 3.4Å; T755-D918 PolarHBondContact N-OD1 3.28Å; T755-D918 PolarHBondContact OG1-OD1 2.94Å
756	A	81.3	Confident	81.7	Confident	9 Å²	9	52 Å²	52	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-37.7	174.3	0	0	0	0	0	113.1	H754 L759 D760	H754-A756 PolarHBondContact O-N 2.9Å; A756-L759 PolarHBondContact O-N 3.23Å; A756-D760 WeakPolarHBondContact O-CB 3.44Å; A756-D760 PolarHBondContact O-N 3.22Å
757	E	85.2	Confident	81.5	Confident	92 Å²	92	51.5 Å²	51.5	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-40.8	177.9	-61.2	178.7	-173.2	0	0	111	P721 H754 T755 L759 D760 L761	P721-E757 HydrophobicContact CB-CB 4.41Å; P721-E757 HydrophobicContact CG-CB 3.95Å; H754-E757 HydrophobicContact CB-CG 4.45Å; H754-E757 WeakPolarHBondContact O-CB 3.43Å; H754-E757 PolarHBondContact O-N 3.35Å; T755-E757 VanDerWaalsContact C-N 3.31Å; T755-E757 PolarHBondContact O-N 3.48Å; E757-L759 VanDerWaalsContact C-N 3.26Å; E757-L759 PolarHBondContact O-N 3.21Å; E757-D760 PolarHBondContact O-N 2.92Å; E757-L761 PolarHBondContact O-N 3.2Å
758	W	87.1	Confident	81.9	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-56.4	-42.2	173.1	-80	94.6	0	0	0	112.4	V627 A715 N716 S719 P721 L741 L743 H754 T755 R762	V627-W758 HydrophobicContact CG1-CZ3 4.38Å; A715-W758 HydrophobicContact CB-CE3 4.17Å; A715-W758 HydrophobicContact CB-CH2 3.71Å; A715-W758 HydrophobicContact CB-CZ2 4.48Å; A715-W758 HydrophobicContact CB-CZ3 3.52Å; N716-W758 WeakPolarHBondContact O-CZ2 3.18Å; S719-W758 WeakPolarHBondContact O-CZ2 3.45Å; P721-W758 HydrophobicContact CB-CD2 3.8Å; P721-W758 HydrophobicContact CB-CE3 4.35Å; P721-W758 HydrophobicContact CB-CG 3.94Å; P721-W758 HydrophobicContact CB-CZ2 4.28Å; L741-W758 HydrophobicContact CD2-CB 4.07Å; L743-W758 HydrophobicContact CD1-CG 4.22Å; L743-W758 HydrophobicContact CD2-CD2 3.96Å; L743-W758 HydrophobicContact CD2-CE3 4.13Å; L743-W758 HydrophobicContact CD2-CG 4.21Å; H754-W758 PolarHBondContact O-N 3.41Å; T755-W758 WeakPolarHBondContact O-CB 3.3Å; T755-W758 PolarHBondContact O-N 3Å; W758-R762 VanDerWaalsContact O-CD 3.29Å; W758-R762 WeakPolarHBondContact O-CD 3.36Å; W758-R762 VanDerWaalsContact O-CG 3.31Å; W758-R762 WeakPolarHBondContact O-CG 3.32Å; W758-R762 PolarHBondContact O-NH1 3.22Å; W758-R762 VanDerWaalsContact O-NH1 3.08Å
759	L	83.9	Confident	82.4	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-81.5	-30.3	-176.9	-63.4	167.5	0	0	0	113.4	L741 T755 A756 E757 L761 R762 H768 E917	L741-L759 HydrophobicContact CD2-CD2 3.81Å; L741-L759 HydrophobicContact CD2-CG 4.48Å; T755-L759 VanDerWaalsContact O-CG 3.26Å; T755-L759 WeakPolarHBondContact O-CG 3.48Å; T755-L759 PolarHBondContact O-N 3.17Å; T755-L759 VanDerWaalsContact O-N 3.09Å; A756-L759 PolarHBondContact O-N 3.23Å; E757-L759 VanDerWaalsContact C-N 3.26Å; E757-L759 PolarHBondContact O-N 3.21Å; L759-L761 VanDerWaalsContact C-N 3.3Å; L759-L761 PolarHBondContact O-N 3Å; L759-R762 CarbonylContact O-C 3.54Å; L759-R762 WeakPolarHBondContact O-CA 3.43Å; L759-R762 PolarHBondContact O-N 3.02Å; L759-H768 HydrophobicContact CD2-CB 3.85Å; L759-E917 HydrophobicContact CD1-CB 4.31Å; L759-E917 HydrophobicContact CD1-CG 4.22Å
760	D	81.2	Confident	82.8	Confident	75 Å²	75	43.2 Å²	43.2	40%	0.401	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-34	177.1	-76.1	-9.4	0	0	0	111.5	R108 R111 A756 E757 R762	R108-D760 IonicContact CZ-OD1 2.92Å; R108-D760 IonicContact CZ-OD2 3.66Å; R108-D760 IonicContact NE-OD1 2.61Å; R108-D760 PolarHBondContact NE-OD1 3.29Å; R108-D760 VanDerWaalsContact NE-OD1 3.17Å; R108-D760 IonicContact NE-OD2 3.75Å; R108-D760 PolarHBondContact NE-OD2 3.25Å; R108-D760 IonicContact NH2-OD1 3.83Å; R108-D760 IonicContact NH2-OD2 3.44Å; R108-D760 PolarHBondContact NH2-OD2 3.19Å; R111-D760 IonicContact NH2-OD1 3.72Å; A756-D760 WeakPolarHBondContact O-CB 3.44Å; A756-D760 PolarHBondContact O-N 3.22Å; E757-D760 PolarHBondContact O-N 2.92Å; D760-R762 PolarHBondContact O-N 3.17Å
761	L	80.9	Confident	83.4	Confident	89 Å²	89	34.6 Å²	34.6	47%	0.466	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.4	169	-65.2	176.8	0	0	0	113.5	P721 V723 E757 L759	P721-L761 HydrophobicContact CB-CD1 4.01Å; P721-L761 WeakPolarHBondContact O-CD1 3.47Å; V723-L761 HydrophobicContact CG2-CB 3.98Å; V723-L761 HydrophobicContact CG2-CD1 4.27Å; E757-L761 PolarHBondContact O-N 3.2Å; L759-L761 VanDerWaalsContact C-N 3.3Å; L759-L761 PolarHBondContact O-N 3Å
762	R	81	Confident	83.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	50.3	-164.2	-68.5	-178.4	172	77.8	3.2	112	V722 E727 W758 L759 D760 W764 V765	V722-R762 PolarHBondContact O-NH2 3.1Å; E727-R762 WeakPolarHBondContact OE1-CD 3.4Å; E727-R762 WeakPolarHBondContact OE1-CG 3.45Å; E727-R762 IonicContact OE1-CZ 2.96Å; E727-R762 IonicContact OE1-NE 3.37Å; E727-R762 PolarHBondContact OE1-NE 2.73Å; E727-R762 IonicContact OE1-NH2 3.28Å; E727-R762 PolarHBondContact OE1-NH2 3.05Å; E727-R762 IonicContact OE2-CZ 3.95Å; E727-R762 IonicContact OE2-NE 2.61Å; E727-R762 PolarHBondContact OE2-NE 3.44Å; E727-R762 IonicContact OE2-NH2 3.77Å; E727-R762 PolarHBondContact OE2-NH2 3.4Å; W758-R762 VanDerWaalsContact O-CD 3.29Å; W758-R762 WeakPolarHBondContact O-CD 3.36Å; W758-R762 VanDerWaalsContact O-CG 3.31Å; W758-R762 WeakPolarHBondContact O-CG 3.32Å; W758-R762 PolarHBondContact O-NH1 3.22Å; W758-R762 VanDerWaalsContact O-NH1 3.08Å; L759-R762 CarbonylContact O-C 3.54Å; L759-R762 WeakPolarHBondContact O-CA 3.43Å; L759-R762 PolarHBondContact O-N 3.02Å; D760-R762 PolarHBondContact O-N 3.17Å; R762-W764 PolarHBondContact O-N 3.04Å; R762-V765 HydrophobicContact CB-CB 4.28Å; R762-V765 HydrophobicContact CB-CG2 3.8Å; R762-V765 HydrophobicContact CG-CG2 4.42Å; R762-V765 PolarHBondContact O-N 3.06Å
763	G	69.9	Low	83.3	Confident	46 Å²	46	36.5 Å²	36.5	47%	0.474	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.1	-177.8	0	0	0	0	0	115
764	W	74.9	Confident	82.9	Confident	31 Å²	31	34.8 Å²	34.8	12%	0.117	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.2	178.8	50.4	-104.5	0	0	0	115	P114 I713 E727 L730 K739 R762	P114-W764 HydrophobicContact CB-CB 4.32Å; P114-W764 HydrophobicContact CG-CB 3.95Å; I713-W764 HydrophobicContact CD1-CH2 3.33Å; I713-W764 HydrophobicContact CD1-CZ3 3.41Å; I713-W764 VanDerWaalsContact CD1-CZ3 3.41Å; E727-W764 HydrophobicContact CG-CH2 3.71Å; E727-W764 HydrophobicContact CG-CZ2 3.48Å; E727-W764 VanDerWaalsContact CG-CZ2 3.48Å; E727-W764 WeakPolarHBondContact OE1-CZ2 3.45Å; L730-W764 HydrophobicContact CD2-CH2 4.15Å; L730-W764 HydrophobicContact CD2-CZ3 4.38Å; K739-W764 HydrophobicContact CB-CE3 3.92Å; K739-W764 HydrophobicContact CB-CZ3 3.67Å; K739-W764 HydrophobicContact CD-CD2 4.24Å; K739-W764 HydrophobicContact CD-CE3 3.21Å; K739-W764 HydrophobicContact CD-CH2 4.23Å; K739-W764 HydrophobicContact CD-CZ3 3.23Å; K739-W764 HydrophobicContact CG-CE3 4.15Å; K739-W764 HydrophobicContact CG-CZ3 3.93Å; R762-W764 PolarHBondContact O-N 3.04Å
765	V	80.3	Confident	81.8	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.03	18%	0.177	C	C	.	.			trans	-75	133.8	176	166.8	0	0	0	0	110.3	I713 L741 R762 S767	I713-V765 HydrophobicContact CD1-CG2 4.42Å; L741-V765 HydrophobicContact CB-CG1 3.84Å; R762-V765 HydrophobicContact CB-CB 4.28Å; R762-V765 HydrophobicContact CB-CG2 3.8Å; R762-V765 HydrophobicContact CG-CG2 4.42Å; R762-V765 PolarHBondContact O-N 3.06Å; V765-S767 WeakPolarHBondContact CG1-O 3.46Å
766	S	75.6	Confident	80.7	Confident	17 Å²	17	40.9 Å²	40.9	12%	0.119	20%	0.199	C	C	.	.			trans	-80.6	-40.9	-175.3	-51.2	0	0	0	0	113.2	K739	K739-S766 PolarHBondContact O-N 2.91Å
767	S	80.3	Confident	79.6	Confident	19 Å²	19	40.7 Å²	40.7	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	165	-176.9	-167.3	0	0	0	0	111.3	E740 L741 V765	E740-S767 WeakPolarHBondContact CA-O 3.42Å; L741-S767 PolarHBondContact N-O 2.84Å; V765-S767 WeakPolarHBondContact CG1-O 3.46Å
768	H	88.9	Confident	78.2	Confident	37 Å²	37	38.3 Å²	38.3	17%	0.171	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.1	179.2	73	-84.7	0	0	0	113.4	L741 L759 H770 E917	L741-H768 HydrophobicContact CB-CB 4.23Å; L741-H768 CarbonylContact O-C 3.26Å; L741-H768 WeakPolarHBondContact O-CA 3.44Å; L759-H768 HydrophobicContact CD2-CB 3.85Å; H768-H770 AromaticContact CD2-CE1 3.85Å; H768-H770 AromaticContact CD2-NE2 3.8Å; H768-H770 AromaticContact NE2-NE2 3.99Å; H768-E917 PolarHBondContact NE2-O 2.91Å
769	Y	91.3	Very high	77.2	Confident	8 Å²	8	48 Å²	48	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.6	-180	-63.4	-82.6	0	0	0	111.9	H615 E740 L741 L743 L807 S810 P922	H615-Y769 AromaticContact CE1-CZ 3.88Å; H615-Y769 PolarHBondContact CE1-OH 3.36Å; H615-Y769 PolarHBondContact NE2-OH 3.24Å; E740-Y769 WeakPolarHBondContact OE2-CE2 3.21Å; L741-Y769 PolarHBondContact O-N 2.97Å; L743-Y769 PolarHBondContact N-O 3.39Å; Y769-L807 HydrophobicContact CD1-CD1 4.33Å; Y769-L807 HydrophobicContact CD2-CD1 3.63Å; Y769-L807 HydrophobicContact CE2-CD1 3.97Å; Y769-L807 HydrophobicContact CG-CD1 3.83Å; Y769-S810 PolarHBondContact OH-OG 3.29Å; Y769-P922 HydrophobicContact CD1-CG 4.33Å; Y769-P922 HydrophobicContact CE1-CG 4.22Å
770	H	92.6	Very high	76.4	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.8	168.4	-61	-37.6	0	0	0	110.1	W745 P752 T755 H768 R806 E917 L919 W920	W745-H770 AromaticContact NE1-CG 3.57Å; W745-H770 AromaticContact NE1-ND1 3.21Å; W745-H770 PolarHBondContact NE1-ND1 3.24Å; P752-H770 HydrophobicContact CG-CB 4.27Å; T755-H770 WeakPolarHBondContact CG2-CE1 3.4Å; T755-H770 WeakPolarHBondContact CG2-NE2 3.46Å; H768-H770 AromaticContact CD2-CE1 3.85Å; H768-H770 AromaticContact CD2-NE2 3.8Å; H768-H770 AromaticContact NE2-NE2 3.99Å; H770-R806 PolarHBondContact O-NH2 3.43Å; H770-E917 PolarHBondContact NE2-O 3.49Å; H770-L919 PolarHBondContact CD2-O 3.45Å; H770-W920 HydrophobicContact CB-CE3 3.72Å; H770-W920 HydrophobicContact CB-CZ3 3.95Å
771	V	90.8	Very high	75.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	119.3	-178.6	175.4	0	0	0	0	108.9	I742 L743 L744 W745 F773 D803 I804	I742-V771 HydrophobicContact CG2-CG2 3.93Å; L743-V771 PolarHBondContact O-N 2.9Å; L744-V771 HydrophobicContact CD2-CB 4.01Å; L744-V771 HydrophobicContact CD2-CG1 4.15Å; W745-V771 PolarHBondContact N-O 2.88Å; V771-F773 PolarHBondContact O-N 3.1Å; V771-D803 HydrophobicContact CG1-CB 4.37Å; V771-I804 HydrophobicContact CG1-CD1 4.2Å; V771-I804 HydrophobicContact CG1-CG1 3.46Å; V771-I804 VanDerWaalsContact CG1-CG1 3.46Å
772	R	87.8	Confident	75.5	Confident	71 Å²	71	51.3 Å²	51.3	27%	0.268	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	125.8	168.8	-69.5	170.5	-71.5	169.1	2.7	109.8	W745 D803 N864 W920	W745-R772 CarbonylContact O-C 3.51Å; W745-R772 WeakPolarHBondContact O-CA 3.47Å; R772-D803 VanDerWaalsContact CB-OD2 3.29Å; R772-D803 WeakPolarHBondContact CB-OD2 3.45Å; R772-D803 WeakPolarHBondContact CG-OD2 3.44Å; R772-D803 IonicContact CZ-OD1 3.27Å; R772-D803 IonicContact CZ-OD2 3.93Å; R772-D803 PolarHBondContact N-OD2 3.13Å; R772-D803 IonicContact NE-OD1 2.74Å; R772-D803 IonicContact NE-OD2 2.88Å; R772-D803 PolarHBondContact NE-OD2 3.17Å; R772-D803 IonicContact NH2-OD1 3.83Å; R772-D803 PolarHBondContact NH2-OD1 3.34Å; R772-D803 IonicContact NH2-OD2 2.93Å; R772-D803 PolarHBondContact NH2-OD2 3.17Å; R772-N864 PolarHBondContact NH2-ND2 2.82Å; R772-N864 VanDerWaalsContact NH2-ND2 3.11Å; R772-W920 HydrophobicContact CG-CE3 4Å; R772-W920 HydrophobicContact CG-CH2 3.44Å; R772-W920 VanDerWaalsContact CG-CH2 3.44Å; R772-W920 HydrophobicContact CG-CZ2 4.06Å; R772-W920 HydrophobicContact CG-CZ3 3.41Å; R772-W920 VanDerWaalsContact CG-CZ3 3.41Å
773	F	81.7	Confident	74.9	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.7	-177.9	-150	-113.9	0	0	0	109.4	P632 F636 E639 W745 D747 V771 L777 F778 I804	P632-F773 HydrophobicContact CB-CE1 4.36Å; P632-F773 HydrophobicContact CG-CD1 4.14Å; P632-F773 HydrophobicContact CG-CE1 3.85Å; F636-F773 HydrophobicContact CB-CE2 4.49Å; F636-F773 HydrophobicContact CB-CZ 4.35Å; E639-F773 HydrophobicContact CB-CE2 4.5Å; E639-F773 HydrophobicContact CG-CE2 4.27Å; W745-F773 PolarHBondContact O-N 3.45Å; D747-F773 PolarHBondContact N-O 3.26Å; V771-F773 PolarHBondContact O-N 3.1Å; F773-L777 HydrophobicContact CD1-CB 3.92Å; F773-L777 HydrophobicContact CE1-CB 3.37Å; F773-L777 HydrophobicContact CE1-CD1 4.36Å; F773-L777 HydrophobicContact CE1-CG 4.48Å; F773-L777 HydrophobicContact CE2-CD1 4.31Å; F773-L777 HydrophobicContact CZ-CB 3.83Å; F773-L777 HydrophobicContact CZ-CD1 4.07Å; F773-F778 HydrophobicContact CB-CE2 3.81Å; F773-F778 HydrophobicContact CB-CZ 3.74Å; F773-F778 HydrophobicContact CD1-CD2 4.2Å; F773-F778 HydrophobicContact CD1-CE1 4.42Å; F773-F778 HydrophobicContact CD1-CE2 4.12Å; F773-F778 HydrophobicContact CD1-CG 4.41Å; F773-F778 HydrophobicContact CD1-CZ 4.23Å; F773-F778 HydrophobicContact CG-CE2 4.48Å; F773-F778 HydrophobicContact CG-CZ 4.49Å; F773-F778 WeakPolarHBondContact O-CE2 3.41Å; F773-I804 HydrophobicContact CD2-CD1 4.13Å; F773-I804 HydrophobicContact CE2-CD1 4.02Å
774	R	75.2	Confident	74.8	Confident	103 Å²	103	57.9 Å²	57.9	39%	0.389	25%	0.254	S	S	.	.			trans	-85.8	140.4	-169.6	-70	172.1	164.2	-168.5	-15.4	111.9	Y776 L777 F778	R774-Y776 VanDerWaalsContact C-N 3.33Å; R774-Y776 HydrophobicContact CB-CD1 4.15Å; R774-Y776 HydrophobicContact CB-CE1 3.84Å; R774-Y776 HydrophobicContact CG-CE1 4.45Å; R774-Y776 PolarHBondContact NH1-OH 2.8Å; R774-Y776 PolarHBondContact O-N 2.96Å; R774-Y776 VanDerWaalsContact O-N 3.09Å; R774-L777 HydrophobicContact CB-CD1 4.08Å; R774-L777 HydrophobicContact CB-CG 4.26Å; R774-L777 WeakPolarHBondContact O-CA 3.4Å; R774-L777 WeakPolarHBondContact O-CB 3.42Å; R774-L777 PolarHBondContact O-N 2.9Å; R774-F778 WeakPolarHBondContact O-CD2 3.4Å
775	K	60.8	Low	74.7	Confident	127 Å²	127	62.8 Å²	62.8	55%	0.552	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-34.3	-56.4	176.8	-69.6	-160.8	176.8	-81.8	0	114.8	E746 L777 F778	E746-K775 VanDerWaalsContact CD-CG 3.47Å; E746-K775 HydrophobicContact CG-CG 4.01Å; E746-K775 WeakPolarHBondContact OE1-CG 3.19Å; E746-K775 IonicContact OE1-NZ 3.15Å; E746-K775 PolarHBondContact OE1-NZ 2.85Å; E746-K775 WeakPolarHBondContact OE2-CE 3.45Å; E746-K775 IonicContact OE2-NZ 2.92Å; E746-K775 PolarHBondContact OE2-NZ 2.85Å; K775-L777 PolarHBondContact O-N 2.82Å; K775-F778 PolarHBondContact O-N 2.91Å
776	Y	63.7	Low	74.4	Confident	116 Å²	116	62.7 Å²	62.7	46%	0.455	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-73.1	-15.3	-173.3	69.2	-93.7	0	0	0	114	R774	R774-Y776 VanDerWaalsContact C-N 3.33Å; R774-Y776 HydrophobicContact CB-CD1 4.15Å; R774-Y776 HydrophobicContact CB-CE1 3.84Å; R774-Y776 HydrophobicContact CG-CE1 4.45Å; R774-Y776 PolarHBondContact NH1-OH 2.8Å; R774-Y776 PolarHBondContact O-N 2.96Å; R774-Y776 VanDerWaalsContact O-N 3.09Å
777	L	57.9	Low	74.3	Confident	5 Å²	5	67 Å²	67	3%	0.026	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-86.6	-16.6	176.8	-62.3	177.3	0	0	0	112.5	F773 R774 K775 R779	F773-L777 HydrophobicContact CD1-CB 3.92Å; F773-L777 HydrophobicContact CE1-CB 3.37Å; F773-L777 HydrophobicContact CE1-CD1 4.36Å; F773-L777 HydrophobicContact CE1-CG 4.48Å; F773-L777 HydrophobicContact CE2-CD1 4.31Å; F773-L777 HydrophobicContact CZ-CB 3.83Å; F773-L777 HydrophobicContact CZ-CD1 4.07Å; R774-L777 HydrophobicContact CB-CD1 4.08Å; R774-L777 HydrophobicContact CB-CG 4.26Å; R774-L777 WeakPolarHBondContact O-CA 3.4Å; R774-L777 WeakPolarHBondContact O-CB 3.42Å; R774-L777 PolarHBondContact O-N 2.9Å; K775-L777 PolarHBondContact O-N 2.82Å; L777-R779 PolarHBondContact O-N 2.89Å
778	F	57	Low	74.1	Confident	42 Å²	42	70.9 Å²	70.9	18%	0.184	31%	0.313	C	S	.	.			trans	-69.2	-13.3	176.5	-81.2	-83.7	0	0	0	113.9	P632 L744 E746 F773 R774 K775 Q780	P632-F778 HydrophobicContact CG-CD1 3.9Å; P632-F778 HydrophobicContact CG-CE1 4.44Å; L744-F778 HydrophobicContact CB-CE1 4.31Å; E746-F778 HydrophobicContact CB-CE2 4.26Å; E746-F778 HydrophobicContact CG-CE2 4Å; F773-F778 HydrophobicContact CB-CE2 3.81Å; F773-F778 HydrophobicContact CB-CZ 3.74Å; F773-F778 HydrophobicContact CD1-CD2 4.2Å; F773-F778 HydrophobicContact CD1-CE1 4.42Å; F773-F778 HydrophobicContact CD1-CE2 4.12Å; F773-F778 HydrophobicContact CD1-CG 4.41Å; F773-F778 HydrophobicContact CD1-CZ 4.23Å; F773-F778 HydrophobicContact CG-CE2 4.48Å; F773-F778 HydrophobicContact CG-CZ 4.49Å; F773-F778 WeakPolarHBondContact O-CE2 3.41Å; R774-F778 WeakPolarHBondContact O-CD2 3.4Å; K775-F778 PolarHBondContact O-N 2.91Å; F778-Q780 PolarHBondContact O-N 2.77Å; F778-Q780 VanDerWaalsContact O-N 3.15Å
779	R	65.4	Low	73.5	Confident	207 Å²	207	69.7 Å²	69.7	78%	0.781	31%	0.307	S	S	*	.	S	Bend	trans	-66	118	170.9	-69.8	-174.5	-178.1	171.5	0.7	108.9	L777 R781	L777-R779 PolarHBondContact O-N 2.89Å; R779-R781 WeakPolarHBondContact O-CG 3.41Å; R779-R781 PolarHBondContact O-N 2.96Å; R779-R781 VanDerWaalsContact O-N 3.14Å
780	Q	66.5	Low	73	Confident	121 Å²	121	70.6 Å²	70.6	57%	0.565	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-49.9	121.3	174.6	-162.1	178.5	21.7	0	0	109.1	D629 F778	D629-Q780 PolarHBondContact O-NE2 3.28Å; F778-Q780 PolarHBondContact O-N 2.77Å; F778-Q780 VanDerWaalsContact O-N 3.15Å
781	R	71.4	Confident	72.4	Confident	49 Å²	49	73.4 Å²	73.4	19%	0.185	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-97.6	136.5	-178.6	-67.3	-171.8	173.7	171.8	-5.2	109.2	T634 R779 L789	T634-R781 PolarHBondContact OG1-O 3.13Å; R779-R781 WeakPolarHBondContact O-CG 3.41Å; R779-R781 PolarHBondContact O-N 2.96Å; R779-R781 VanDerWaalsContact O-N 3.14Å; R781-L789 HydrophobicContact CB-CD1 3.96Å; R781-L789 HydrophobicContact CG-CD1 4.38Å
782	D	71.9	Confident	71.9	Confident	66 Å²	66	79.1 Å²	79.1	35%	0.353	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-57.4	120.3	175.8	-178.1	2.8	0	0	0	110.5	Q784 K785	D782-Q784 PolarHBondContact O-N 2.87Å; D782-Q784 WeakPolarHBondContact OD1-CB 3.31Å; D782-Q784 WeakPolarHBondContact OD1-CG 3.5Å; D782-Q784 PolarHBondContact OD1-N 2.69Å; D782-K785 PolarHBondContact O-N 3.3Å
783	P	68	Low	71.5	Confident	45 Å²	45	75.8 Å²	75.8	29%	0.292	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.1	178.1	26.7	-35.5	0	0	0	112.8	K785 L786	P783-K785 PolarHBondContact O-N 3.28Å; P783-L786 WeakPolarHBondContact O-CB 3.49Å; P783-L786 PolarHBondContact O-N 3.19Å
784	Q	69.2	Low	71.3	Confident	139 Å²	139	78.2 Å²	78.2	65%	0.65	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-66.1	-26.7	177	-62.5	-177.4	-6.6	0	0	112.5	D782 L786	D782-Q784 PolarHBondContact O-N 2.87Å; D782-Q784 WeakPolarHBondContact OD1-CB 3.31Å; D782-Q784 WeakPolarHBondContact OD1-CG 3.5Å; D782-Q784 PolarHBondContact OD1-N 2.69Å; Q784-L786 VanDerWaalsContact C-N 3.27Å; Q784-L786 PolarHBondContact O-N 3.39Å
785	K	71.9	Confident	71.4	Confident	134 Å²	134	81.1 Å²	81.1	58%	0.583	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-90.6	14	178.5	-64.2	178	-175.4	171.1	0	112.6	D782 P783 L787 H788 L789	D782-K785 PolarHBondContact O-N 3.3Å; P783-K785 PolarHBondContact O-N 3.28Å; K785-L787 PolarHBondContact O-N 3.35Å; K785-H788 WeakPolarHBondContact O-CB 3.43Å; K785-H788 PolarHBondContact O-N 3.45Å; K785-H788 VanDerWaalsContact O-N 3.15Å; K785-L789 WeakPolarHBondContact O-CG 3.43Å; K785-L789 PolarHBondContact O-N 2.96Å
786	L	74.6	Confident	72.3	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-56.6	-45.4	-174.8	178.6	60	0	0	0	112.8	T634 V638 V652 M657 L692 P783 Q784 H788 L789 I790	T634-L786 HydrophobicContact CG2-CD1 3.9Å; V638-L786 HydrophobicContact CG2-CD1 3.25Å; V652-L786 HydrophobicContact CG1-CD2 4.11Å; M657-L786 HydrophobicContact CE-CB 3.97Å; M657-L786 HydrophobicContact CE-CD2 3.41Å; M657-L786 VanDerWaalsContact CE-CD2 3.41Å; M657-L786 HydrophobicContact CE-CG 3.52Å; M657-L786 HydrophobicContact SD-CD2 3.65Å; M657-L786 HydrophobicContact SD-CG 4.42Å; L692-L786 HydrophobicContact CD2-CD2 4.23Å; P783-L786 WeakPolarHBondContact O-CB 3.49Å; P783-L786 PolarHBondContact O-N 3.19Å; Q784-L786 VanDerWaalsContact C-N 3.27Å; Q784-L786 PolarHBondContact O-N 3.39Å; L786-H788 VanDerWaalsContact C-N 3.34Å; L786-H788 PolarHBondContact O-N 3.42Å; L786-L789 WeakPolarHBondContact O-CB 3.46Å; L786-L789 PolarHBondContact O-N 3.2Å; L786-I790 HydrophobicContact CD1-CD1 4.13Å; L786-I790 HydrophobicContact CD1-CG1 4.25Å; L786-I790 HydrophobicContact CG-CD1 3.98Å; L786-I790 WeakPolarHBondContact O-CG1 3.44Å; L786-I790 PolarHBondContact O-N 3.5Å
787	L	73.4	Confident	72.9	Confident	107 Å²	107	79.2 Å²	79.2	56%	0.56	38%	0.384	S	S	*	.	H	α-helix	trans	-58.7	-43.9	177	-72.6	173.3	0	0	0	112.4	M657 K785 L789 I790 S791	M657-L787 HydrophobicContact CE-CD2 3.51Å; M657-L787 HydrophobicContact CE-CG 3.65Å; K785-L787 PolarHBondContact O-N 3.35Å; L787-L789 VanDerWaalsContact C-N 3.28Å; L787-L789 PolarHBondContact O-N 3.37Å; L787-I790 PolarHBondContact O-N 3.48Å; L787-S791 PolarHBondContact O-N 2.97Å; L787-S791 PolarHBondContact O-OG 3.37Å
788	H	77.1	Confident	73.4	Confident	102 Å²	102	84 Å²	84	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-33.5	175.5	-178.8	-54.8	0	0	0	111.7	K785 L786 S791 R792	K785-H788 WeakPolarHBondContact O-CB 3.43Å; K785-H788 PolarHBondContact O-N 3.45Å; K785-H788 VanDerWaalsContact O-N 3.15Å; L786-H788 VanDerWaalsContact C-N 3.34Å; L786-H788 PolarHBondContact O-N 3.42Å; H788-S791 PolarHBondContact O-OG 3.26Å; H788-R792 VanDerWaalsContact CE1-CZ 3.49Å; H788-R792 PolarHBondContact CE1-NH2 3.42Å; H788-R792 WeakPolarHBondContact O-CB 3.46Å; H788-R792 PolarHBondContact O-N 3.38Å
789	L	75.3	Confident	74.1	Confident	11 Å²	11	87.9 Å²	87.9	6%	0.058	42%	0.423	C	S	.	.	H	α-helix	trans	-71.5	-40.8	177.2	-65.6	174.2	0	0	0	111.7	T634 V638 R781 K785 L786 L787 R792 I793	T634-L789 HydrophobicContact CG2-CD1 4.26Å; V638-L789 HydrophobicContact CG2-CB 4.41Å; R781-L789 HydrophobicContact CB-CD1 3.96Å; R781-L789 HydrophobicContact CG-CD1 4.38Å; K785-L789 WeakPolarHBondContact O-CG 3.43Å; K785-L789 PolarHBondContact O-N 2.96Å; L786-L789 WeakPolarHBondContact O-CB 3.46Å; L786-L789 PolarHBondContact O-N 3.2Å; L787-L789 VanDerWaalsContact C-N 3.28Å; L787-L789 PolarHBondContact O-N 3.37Å; L789-R792 PolarHBondContact O-N 2.89Å; L789-I793 WeakPolarHBondContact O-CB 3.23Å; L789-I793 WeakPolarHBondContact O-CG1 3.28Å; L789-I793 PolarHBondContact O-N 2.93Å
790	I	81	Confident	74.5	Confident	27 Å²	27	80.9 Å²	80.9	14%	0.138	41%	0.406	C	S	.	.	H	α-helix	trans	-60	-50.1	176.7	-72.1	172.5	0	0	0	109.9	V638 W641 V652 M657 L786 L787 R792 I793 A794	V638-I790 HydrophobicContact CG1-CG1 4.02Å; V638-I790 HydrophobicContact CG2-CG1 4.16Å; W641-I790 HydrophobicContact CE3-CG1 4.43Å; W641-I790 HydrophobicContact CE3-CG2 4.11Å; W641-I790 HydrophobicContact CH2-CG2 3.4Å; W641-I790 HydrophobicContact CZ2-CG2 3.89Å; W641-I790 HydrophobicContact CZ3-CB 4.3Å; W641-I790 HydrophobicContact CZ3-CG2 3.52Å; V652-I790 HydrophobicContact CB-CD1 4.48Å; M657-I790 HydrophobicContact CE-CD1 4.18Å; L786-I790 HydrophobicContact CD1-CD1 4.13Å; L786-I790 HydrophobicContact CD1-CG1 4.25Å; L786-I790 HydrophobicContact CG-CD1 3.98Å; L786-I790 WeakPolarHBondContact O-CG1 3.44Å; L786-I790 PolarHBondContact O-N 3.5Å; L787-I790 PolarHBondContact O-N 3.48Å; I790-R792 PolarHBondContact O-N 3.07Å; I790-I793 PolarHBondContact O-N 3.42Å; I790-A794 VanDerWaalsContact O-CB 3.31Å; I790-A794 WeakPolarHBondContact O-CB 3.49Å; I790-A794 PolarHBondContact O-N 3.49Å
791	S	80.5	Confident	75.1	Confident	64 Å²	64	79.8 Å²	79.8	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-60.7	-45	178.7	61.9	0	0	0	0	112.3	L787 H788 I793 A794 E795	L787-S791 PolarHBondContact O-N 2.97Å; L787-S791 PolarHBondContact O-OG 3.37Å; H788-S791 PolarHBondContact O-OG 3.26Å; S791-I793 VanDerWaalsContact C-N 3.33Å; S791-I793 PolarHBondContact O-N 2.92Å; S791-A794 PolarHBondContact O-N 2.99Å; S791-E795 PolarHBondContact O-N 3Å
792	R	80.5	Confident	75.8	Confident	120 Å²	120	79.1 Å²	79.1	45%	0.453	40%	0.403	S	S	.	.	H	α-helix	trans	-63.8	-35.4	178.1	-174.1	-172.8	-74.7	166.1	-6.6	113.3	H788 L789 I790	H788-R792 VanDerWaalsContact CE1-CZ 3.49Å; H788-R792 PolarHBondContact CE1-NH2 3.42Å; H788-R792 WeakPolarHBondContact O-CB 3.46Å; H788-R792 PolarHBondContact O-N 3.38Å; L789-R792 PolarHBondContact O-N 2.89Å; I790-R792 PolarHBondContact O-N 3.07Å
793	I	78.7	Confident	76.6	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-82.2	-31.5	-179.6	-71.9	170.4	0	0	0	110.7	V638 E639 H642 L789 I790 S791 E795 R796	V638-I793 HydrophobicContact CB-CD1 4.1Å; V638-I793 HydrophobicContact CG1-CB 4.11Å; V638-I793 HydrophobicContact CG1-CD1 3.42Å; V638-I793 VanDerWaalsContact CG1-CD1 3.42Å; V638-I793 HydrophobicContact CG1-CG1 4.28Å; V638-I793 HydrophobicContact CG1-CG2 4.35Å; E639-I793 HydrophobicContact CG-CD1 4.5Å; H642-I793 HydrophobicContact CB-CG2 3.64Å; H642-I793 PolarHBondContact CE1-O 3.09Å; H642-I793 VanDerWaalsContact CE1-O 3.28Å; H642-I793 PolarHBondContact ND1-O 2.91Å; L789-I793 WeakPolarHBondContact O-CB 3.23Å; L789-I793 WeakPolarHBondContact O-CG1 3.28Å; L789-I793 PolarHBondContact O-N 2.93Å; I790-I793 PolarHBondContact O-N 3.42Å; S791-I793 VanDerWaalsContact C-N 3.33Å; S791-I793 PolarHBondContact O-N 2.92Å; I793-E795 PolarHBondContact O-N 2.75Å; I793-R796 WeakPolarHBondContact O-CB 3.36Å; I793-R796 PolarHBondContact O-N 3.25Å
794	A	76.8	Confident	77.7	Confident	55 Å²	55	74.5 Å²	74.5	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-57.2	-31.2	174.8	0	0	0	0	0	112.9	W641 I790 S791 R796	W641-A794 HydrophobicContact CH2-CB 4.28Å; W641-A794 HydrophobicContact CZ3-CB 4.43Å; I790-A794 VanDerWaalsContact O-CB 3.31Å; I790-A794 WeakPolarHBondContact O-CB 3.49Å; I790-A794 PolarHBondContact O-N 3.49Å; S791-A794 PolarHBondContact O-N 2.99Å; A794-R796 VanDerWaalsContact C-N 3.28Å; A794-R796 PolarHBondContact O-N 2.97Å
795	E	77.5	Confident	78.6	Confident	164 Å²	164	68.4 Å²	68.4	77%	0.766	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.5	175.9	-66.9	172.4	-174.2	0	0	114.1	S791 I793	S791-E795 PolarHBondContact O-N 3Å; I793-E795 PolarHBondContact O-N 2.75Å
796	R	80	Confident	79.5	Confident	85 Å²	85	62.5 Å²	62.5	32%	0.321	32%	0.323	S	S	.	.	S	Bend	trans	-79.5	143.6	-176	-66	178.6	173	-177.9	-6.3	111.4	E639 H642 I793 A794 Q798	E639-R796 IonicContact OE1-NH1 2.62Å; E639-R796 PolarHBondContact OE1-NH1 2.86Å; H642-R796 PolarHBondContact CE1-O 3.08Å; H642-R796 VanDerWaalsContact CE1-O 3.3Å; H642-R796 PolarHBondContact NE2-O 3.12Å; I793-R796 WeakPolarHBondContact O-CB 3.36Å; I793-R796 PolarHBondContact O-N 3.25Å; A794-R796 VanDerWaalsContact C-N 3.28Å; A794-R796 PolarHBondContact O-N 2.97Å; R796-Q798 PolarHBondContact O-N 3.02Å
797	P	75.4	Confident	80.2	Confident	117 Å²	117	62.4 Å²	62.4	76%	0.76	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-68.3	134.5	171.6	28.4	-33.6	0	0	0	110.6
798	Q	69.2	Low	81	Confident	106 Å²	106	57.3 Å²	57.3	50%	0.495	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-69.8	140.4	-179.6	-72.9	169.5	-9.3	0	0	111.6	H642 S646 R796	H642-Q798 WeakPolarHBondContact NE2-CG 3.4Å; H642-Q798 PolarHBondContact O-NE2 2.71Å; S646-Q798 VanDerWaalsContact CB-CD 3.45Å; S646-Q798 VanDerWaalsContact CB-NE2 3.34Å; R796-Q798 PolarHBondContact O-N 3.02Å
799	K	72.8	Confident	81.4	Confident	123 Å²	123	53.6 Å²	53.6	54%	0.535	28%	0.277	S	S	.	.			trans	-103.6	105.5	176.3	-67.1	-175	177.4	-166.7	0	110.1	H801 S802 S805	K799-H801 PolarHBondContact O-N 2.8Å; K799-S802 PolarHBondContact O-N 2.99Å; K799-S805 WeakPolarHBondContact O-CB 3.47Å; K799-S805 PolarHBondContact O-OG 3.31Å
800	C	72.4	Confident	81.9	Confident	61 Å²	61	53.6 Å²	53.6	41%	0.412	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-38.1	178.4	-174.3	0	0	0	0	112.9	S802 S805 R809 P843	C800-S802 PolarHBondContact O-N 3Å; C800-S805 WeakPolarHBondContact O-CB 3.43Å; C800-R809 PolarHBondContact O-NH1 2.85Å; C800-R809 PolarHBondContact O-NH2 3.15Å; C800-P843 VanDerWaalsContact SG-CG 3.6Å
801	H	80.4	Confident	82.2	Confident	97 Å²	97	52.4 Å²	52.4	45%	0.449	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	13.7	-176.3	-58.7	-76.1	0	0	0	114.9	K799 G841	K799-H801 PolarHBondContact O-N 2.8Å; H801-G841 PolarHBondContact CE1-O 3.2Å; H801-G841 WeakPolarHBondContact NE2-CA 3.4Å; H801-G841 PolarHBondContact NE2-O 3.19Å
802	S	85.7	Confident	82.1	Confident	36 Å²	36	49.7 Å²	49.7	25%	0.252	25%	0.253	S	S	.	.			trans	-71.6	146.5	173.9	-174.2	0	0	0	0	110.9	K799 C800 I804 S805 R806	K799-S802 PolarHBondContact O-N 2.99Å; C800-S802 PolarHBondContact O-N 3Å; S802-I804 PolarHBondContact O-N 3.03Å; S802-S805 WeakPolarHBondContact O-CB 3.36Å; S802-S805 PolarHBondContact O-N 3.39Å; S802-R806 PolarHBondContact O-N 3.23Å
803	D	88.9	Confident	81.9	Confident	7 Å²	7	45 Å²	45	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-30.9	175.7	-57.6	-21.3	0	0	0	111.4	V771 R772 R806 L807	V771-D803 HydrophobicContact CG1-CB 4.37Å; R772-D803 VanDerWaalsContact CB-OD2 3.29Å; R772-D803 WeakPolarHBondContact CB-OD2 3.45Å; R772-D803 WeakPolarHBondContact CG-OD2 3.44Å; R772-D803 IonicContact CZ-OD1 3.27Å; R772-D803 IonicContact CZ-OD2 3.93Å; R772-D803 PolarHBondContact N-OD2 3.13Å; R772-D803 IonicContact NE-OD1 2.74Å; R772-D803 IonicContact NE-OD2 2.88Å; R772-D803 PolarHBondContact NE-OD2 3.17Å; R772-D803 IonicContact NH2-OD1 3.83Å; R772-D803 PolarHBondContact NH2-OD1 3.34Å; R772-D803 IonicContact NH2-OD2 2.93Å; R772-D803 PolarHBondContact NH2-OD2 3.17Å; D803-R806 WeakPolarHBondContact O-CB 3.32Å; D803-R806 PolarHBondContact O-N 3.35Å; D803-R806 IonicContact OD1-NH2 3.98Å; D803-L807 PolarHBondContact O-N 3.28Å
804	I	90.1	Very high	82	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-68	-39.8	173.6	-58.9	178.2	0	0	0	110.7	E639 L640 S643 V771 F773 S802 R806 L807 A808	E639-I804 HydrophobicContact CB-CD1 3.64Å; L640-I804 HydrophobicContact CB-CG2 4.26Å; L640-I804 HydrophobicContact CD1-CG2 4.15Å; S643-I804 WeakPolarHBondContact OG-CG2 3.4Å; V771-I804 HydrophobicContact CG1-CD1 4.2Å; V771-I804 HydrophobicContact CG1-CG1 3.46Å; V771-I804 VanDerWaalsContact CG1-CG1 3.46Å; F773-I804 HydrophobicContact CD2-CD1 4.13Å; F773-I804 HydrophobicContact CE2-CD1 4.02Å; S802-I804 PolarHBondContact O-N 3.03Å; I804-R806 VanDerWaalsContact C-N 3.28Å; I804-R806 PolarHBondContact O-N 3.09Å; I804-L807 WeakPolarHBondContact O-CB 3.29Å; I804-L807 PolarHBondContact O-N 2.66Å; I804-A808 WeakPolarHBondContact O-CB 3.37Å; I804-A808 PolarHBondContact O-N 3.34Å
805	S	88.6	Confident	82.5	Confident	11 Å²	11	43.3 Å²	43.3	8%	0.077	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-35.1	176.1	-56.1	0	0	0	0	111.7	K799 C800 S802 A808 R809	K799-S805 WeakPolarHBondContact O-CB 3.47Å; K799-S805 PolarHBondContact O-OG 3.31Å; C800-S805 WeakPolarHBondContact O-CB 3.43Å; S802-S805 WeakPolarHBondContact O-CB 3.36Å; S802-S805 PolarHBondContact O-N 3.39Å; S805-A808 PolarHBondContact O-N 3.2Å; S805-R809 WeakPolarHBondContact O-CG 3.5Å; S805-R809 PolarHBondContact O-N 2.88Å
806	R	89.9	Confident	83.1	Confident	9 Å²	9	35.7 Å²	35.7	3%	0.034	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-47	170.4	169.6	-177	66.9	-169.6	6.7	111.7	H770 S802 D803 I804 A808 R809 S810 D845 W920 I921	H770-R806 PolarHBondContact O-NH2 3.43Å; S802-R806 PolarHBondContact O-N 3.23Å; D803-R806 WeakPolarHBondContact O-CB 3.32Å; D803-R806 PolarHBondContact O-N 3.35Å; D803-R806 IonicContact OD1-NH2 3.98Å; I804-R806 VanDerWaalsContact C-N 3.28Å; I804-R806 PolarHBondContact O-N 3.09Å; R806-A808 VanDerWaalsContact C-N 3.29Å; R806-A808 PolarHBondContact O-N 2.88Å; R806-R809 PolarHBondContact O-N 2.76Å; R806-S810 PolarHBondContact O-N 2.7Å; R806-D845 WeakPolarHBondContact CA-OD1 3.38Å; R806-D845 WeakPolarHBondContact CB-OD1 3.25Å; R806-D845 WeakPolarHBondContact CD-O 3.43Å; R806-D845 HydrophobicContact CG-CB 3.83Å; R806-D845 VanDerWaalsContact CG-OD1 3.32Å; R806-D845 WeakPolarHBondContact CG-OD1 3.4Å; R806-W920 PolarHBondContact NH1-O 3.34Å; R806-W920 PolarHBondContact NH2-O 3.33Å; R806-I921 VanDerWaalsContact NH1-CG1 3.35Å
807	L	90.2	Very high	83.6	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-46.1	174.4	175	66.2	0	0	0	110.6	F636 L640 I742 Y769 D803 I804 R809 S810 L811	F636-L807 HydrophobicContact CE2-CD2 4.31Å; F636-L807 HydrophobicContact CZ-CD2 3.81Å; L640-L807 HydrophobicContact CD1-CD2 4.01Å; L640-L807 HydrophobicContact CD1-CG 4.29Å; I742-L807 HydrophobicContact CD1-CD1 4.33Å; I742-L807 HydrophobicContact CD1-CD2 3.57Å; I742-L807 HydrophobicContact CG1-CD2 4.36Å; Y769-L807 HydrophobicContact CD1-CD1 4.33Å; Y769-L807 HydrophobicContact CD2-CD1 3.63Å; Y769-L807 HydrophobicContact CE2-CD1 3.97Å; Y769-L807 HydrophobicContact CG-CD1 3.83Å; D803-L807 PolarHBondContact O-N 3.28Å; I804-L807 WeakPolarHBondContact O-CB 3.29Å; I804-L807 PolarHBondContact O-N 2.66Å; L807-R809 PolarHBondContact O-N 2.86Å; L807-S810 WeakPolarHBondContact O-CB 3.46Å; L807-S810 PolarHBondContact O-N 2.74Å; L807-S810 VanDerWaalsContact O-N 3.09Å; L807-L811 HydrophobicContact CD1-CD1 4.07Å; L807-L811 HydrophobicContact CD1-CG 4.15Å; L807-L811 HydrophobicContact CG-CD1 3.93Å; L807-L811 HydrophobicContact CG-CG 4.41Å; L807-L811 WeakPolarHBondContact O-CG 3.47Å; L807-L811 PolarHBondContact O-N 2.85Å
808	A	89	Confident	84.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-43.4	176.7	0	0	0	0	0	112.6	L640 L644 I647 I804 S805 R806 S810 L811 T812	L640-A808 HydrophobicContact CD1-CB 4.42Å; L644-A808 HydrophobicContact CD2-CB 3.67Å; L644-A808 HydrophobicContact CG-CB 3.82Å; I647-A808 HydrophobicContact CD1-CB 4.24Å; I804-A808 WeakPolarHBondContact O-CB 3.37Å; I804-A808 PolarHBondContact O-N 3.34Å; S805-A808 PolarHBondContact O-N 3.2Å; R806-A808 VanDerWaalsContact C-N 3.29Å; R806-A808 PolarHBondContact O-N 2.88Å; A808-S810 VanDerWaalsContact C-N 3.33Å; A808-L811 PolarHBondContact O-N 2.94Å; A808-T812 WeakPolarHBondContact O-CB 3.23Å; A808-T812 WeakPolarHBondContact O-CG2 3.48Å; A808-T812 PolarHBondContact O-N 3.42Å; A808-T812 PolarHBondContact O-OG1 3.35Å
809	R	87	Confident	85.7	Confident	24 Å²	24	21.1 Å²	21.1	9%	0.091	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-35.4	173.9	-76.2	-170.6	-66.9	-87.9	-7.9	112.6	I647 C800 S805 R806 L807 T812 S813 T814 S815 P843 D845	I647-R809 HydrophobicContact CD1-CB 4.44Å; I647-R809 HydrophobicContact CD1-CG 3.73Å; C800-R809 PolarHBondContact O-NH1 2.85Å; C800-R809 PolarHBondContact O-NH2 3.15Å; S805-R809 WeakPolarHBondContact O-CG 3.5Å; S805-R809 PolarHBondContact O-N 2.88Å; R806-R809 PolarHBondContact O-N 2.76Å; L807-R809 PolarHBondContact O-N 2.86Å; R809-T812 WeakPolarHBondContact CA-OG1 3.39Å; R809-T812 PolarHBondContact O-OG1 2.88Å; R809-S813 PolarHBondContact O-N 3.28Å; R809-T814 CarbonylContact O-C 3.42Å; R809-T814 PolarHBondContact O-N 3.28Å; R809-S815 PolarHBondContact O-N 3.27Å; R809-P843 VanDerWaalsContact CZ-CB 3.48Å; R809-D845 WeakPolarHBondContact CD-OD2 3.43Å; R809-D845 IonicContact CZ-OD1 2.76Å; R809-D845 VanDerWaalsContact CZ-OD1 3.28Å; R809-D845 IonicContact CZ-OD2 3.32Å; R809-D845 VanDerWaalsContact NE-CG 3.33Å; R809-D845 IonicContact NE-OD1 3.81Å; R809-D845 PolarHBondContact NE-OD1 3.09Å; R809-D845 IonicContact NE-OD2 2.83Å; R809-D845 PolarHBondContact NE-OD2 3.3Å; R809-D845 IonicContact NH2-OD1 2.9Å; R809-D845 PolarHBondContact NH2-OD1 2.86Å
810	S	85.8	Confident	86.7	Confident	11 Å²	11	15.3 Å²	15.3	8%	0.077	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-47.3	176.4	-155.9	0	0	0	0	111.7	Y769 R806 L807 A808 T812 S813	Y769-S810 PolarHBondContact OH-OG 3.29Å; R806-S810 PolarHBondContact O-N 2.7Å; L807-S810 WeakPolarHBondContact O-CB 3.46Å; L807-S810 PolarHBondContact O-N 2.74Å; L807-S810 VanDerWaalsContact O-N 3.09Å; A808-S810 VanDerWaalsContact C-N 3.33Å; S810-T812 VanDerWaalsContact C-N 3.3Å; S810-T812 PolarHBondContact O-N 2.92Å; S810-S813 PolarHBondContact O-N 3.4Å; S810-S813 VanDerWaalsContact O-N 3.13Å
811	L	86	Confident	87.4	Confident	2 Å²	2	12.4 Å²	12.4	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-64.9	-32.3	178.5	-67.2	171.7	0	0	0	113	L619 I622 L640 L712 E740 L807 A808 S813	L619-L811 HydrophobicContact CD1-CD2 4.16Å; L619-L811 WeakPolarHBondContact CD1-O 3.31Å; I622-L811 HydrophobicContact CD1-CB 4.31Å; I622-L811 HydrophobicContact CD1-CD1 4.26Å; L640-L811 HydrophobicContact CD1-CD1 4.33Å; L712-L811 HydrophobicContact CD1-CD1 3.92Å; L712-L811 HydrophobicContact CD2-CD1 4.42Å; L712-L811 HydrophobicContact CD2-CD2 3.92Å; E740-L811 VanDerWaalsContact OE2-CD2 3.23Å; E740-L811 WeakPolarHBondContact OE2-CD2 3.35Å; L807-L811 HydrophobicContact CD1-CD1 4.07Å; L807-L811 HydrophobicContact CD1-CG 4.15Å; L807-L811 HydrophobicContact CG-CD1 3.93Å; L807-L811 HydrophobicContact CG-CG 4.41Å; L807-L811 WeakPolarHBondContact O-CG 3.47Å; L807-L811 PolarHBondContact O-N 2.85Å; A808-L811 PolarHBondContact O-N 2.94Å; L811-S813 VanDerWaalsContact C-N 3.31Å
812	T	80.1	Confident	87.5	Confident	7 Å²	7	8 Å²	8	4%	0.043	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.1	177.6	52.4	0	0	0	0	113.5	L644 I647 K648 I688 A808 R809 S810 T814	L644-T812 HydrophobicContact CD2-CG2 3.55Å; I647-T812 HydrophobicContact CB-CG2 4.46Å; I647-T812 HydrophobicContact CD1-CG2 4.39Å; I647-T812 HydrophobicContact CG2-CG2 4.33Å; K648-T812 HydrophobicContact CD-CG2 4.34Å; I688-T812 HydrophobicContact CD1-CG2 3.59Å; A808-T812 WeakPolarHBondContact O-CB 3.23Å; A808-T812 WeakPolarHBondContact O-CG2 3.48Å; A808-T812 PolarHBondContact O-N 3.42Å; A808-T812 PolarHBondContact O-OG1 3.35Å; R809-T812 WeakPolarHBondContact CA-OG1 3.39Å; R809-T812 PolarHBondContact O-OG1 2.88Å; S810-T812 VanDerWaalsContact C-N 3.3Å; S810-T812 PolarHBondContact O-N 2.92Å; T812-T814 PolarHBondContact O-N 3.21Å; T812-T814 PolarHBondContact OG1-OG1 2.98Å
813	S	76.2	Confident	87.2	Confident	21 Å²	21	7 Å²	7	15%	0.147	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	36.5	-173.1	-43.4	0	0	0	0	113.2	A617 R809 S810 L811 R1020	A617-S813 WeakPolarHBondContact CA-OG 3.26Å; R809-S813 PolarHBondContact O-N 3.28Å; S810-S813 PolarHBondContact O-N 3.4Å; S810-S813 VanDerWaalsContact O-N 3.13Å; L811-S813 VanDerWaalsContact C-N 3.31Å; S813-R1020 WeakPolarHBondContact O-CB 3.5Å
814	T	80.7	Confident	86.7	Confident	15 Å²	15	7.6 Å²	7.6	9%	0.092	5%	0.052	C	C	.	.			trans	-111.7	28.3	172	71.1	0	0	0	0	111.1	I647 R809 T812	I647-T814 HydrophobicContact CG2-CG2 3.9Å; R809-T814 CarbonylContact O-C 3.42Å; R809-T814 PolarHBondContact O-N 3.28Å; T812-T814 PolarHBondContact O-N 3.21Å; T812-T814 PolarHBondContact OG1-OG1 2.98Å
815	S	86.3	Confident	86.2	Confident	5 Å²	5	7.3 Å²	7.3	4%	0.035	5%	0.051	C	C	.	.			trans	-72	145.4	-178.9	55	0	0	0	0	112	R809 D845 V1019 R1020 T1021	R809-S815 PolarHBondContact O-N 3.27Å; S815-D845 VanDerWaalsContact CA-OD2 3.31Å; S815-D845 WeakPolarHBondContact CA-OD2 3.23Å; S815-V1019 WeakPolarHBondContact O-CG1 3.3Å; S815-V1019 WeakPolarHBondContact OG-CA 3.35Å; S815-R1020 PolarHBondContact O-N 3.24Å; S815-R1020 VanDerWaalsContact O-N 3.16Å; S815-T1021 PolarHBondContact O-N 3.21Å
816	I	89.7	Confident	86.1	Confident	5 Å²	5	7.8 Å²	7.8	3%	0.026	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.3	177.6	-64.3	154.6	0	0	0	108.9	I842 P843 D845 T1021 I1023 F1135	I816-I842 HydrophobicContact CG2-CG2 4.39Å; I816-P843 WeakPolarHBondContact CB-O 3.29Å; I816-P843 HydrophobicContact CD1-CG 3.82Å; I816-P843 WeakPolarHBondContact CG2-O 3.08Å; I816-D845 PolarHBondContact N-OD2 2.7Å; I816-D845 WeakPolarHBondContact O-CB 3.3Å; I816-D845 PolarHBondContact O-N 3.25Å; I816-T1021 CarbonylContact C-O 3.6Å; I816-T1021 WeakPolarHBondContact CA-O 3.01Å; I816-I1023 HydrophobicContact CG2-CD1 4.48Å; I816-F1135 HydrophobicContact CD1-CD1 3.63Å; I816-F1135 HydrophobicContact CD1-CE1 4.28Å; I816-F1135 HydrophobicContact CG1-CD1 4.06Å; I816-F1135 HydrophobicContact CG1-CE1 4.47Å; I816-F1135 HydrophobicContact CG2-CE1 4.2Å
817	G	91.3	Very high	85.9	Confident	1 Å²	1	7.4 Å²	7.4	1%	0.01	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.1	179.1	0	0	0	0	0	112.3	I846 V1019 T1021 V1022 I1023	G817-I846 WeakPolarHBondContact CA-O 3.37Å; G817-V1019 VanDerWaalsContact N-CG1 3.34Å; G817-T1021 PolarHBondContact N-O 2.93Å; G817-V1022 WeakPolarHBondContact O-CA 3.34Å; G817-I1023 PolarHBondContact O-N 3.3Å
818	L	94.8	Very high	85.8	Confident	1 Å²	1	7.3 Å²	7.3	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.7	171.3	176.2	64.2	0	0	0	110.3	L820 I834 I837 I844 I846 V847 G848 M1014 I1023 V1025	L818-L820 HydrophobicContact CD1-CD2 4.07Å; L818-L820 HydrophobicContact CD2-CD2 4.12Å; L818-L820 HydrophobicContact CG-CD2 3.98Å; L818-L820 HydrophobicContact CG-CG 4.38Å; L818-I834 HydrophobicContact CD2-CD1 4.39Å; L818-I834 HydrophobicContact CD2-CG1 3.84Å; L818-I837 HydrophobicContact CD1-CD1 3.81Å; L818-I837 HydrophobicContact CD2-CD1 4.45Å; L818-I844 HydrophobicContact CB-CG1 4.47Å; L818-I844 HydrophobicContact CB-CG2 3.79Å; L818-I844 HydrophobicContact CD2-CD1 3.78Å; L818-I844 HydrophobicContact CD2-CG1 4.49Å; L818-I846 PolarHBondContact N-O 3.25Å; L818-V847 HydrophobicContact CB-CG2 4.45Å; L818-V847 CarbonylContact O-C 3.18Å; L818-V847 VanDerWaalsContact O-CA 3.29Å; L818-V847 WeakPolarHBondContact O-CA 3.49Å; L818-G848 PolarHBondContact O-N 3.18Å; L818-M1014 WeakPolarHBondContact O-CE 3.41Å; L818-I1023 WeakPolarHBondContact CA-O 3.4Å; L818-I1023 HydrophobicContact CD1-CB 4.19Å; L818-I1023 HydrophobicContact CD1-CG2 4.13Å; L818-V1025 HydrophobicContact CD1-CG2 4.1Å
819	I	93.8	Very high	86	Confident	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.8	178.2	-60.7	178.3	0	0	0	110.3	G848 L1009 P1010 A1011 M1014 V1022 I1023 A1024 V1025	I819-G848 WeakPolarHBondContact CA-O 3.32Å; I819-L1009 HydrophobicContact CG2-CD1 3.81Å; I819-L1009 HydrophobicContact CG2-CG 4.28Å; I819-P1010 VanDerWaalsContact CD1-C 3.46Å; I819-P1010 VanDerWaalsContact CD1-O 3.3Å; I819-P1010 WeakPolarHBondContact CD1-O 3.43Å; I819-P1010 HydrophobicContact CG2-CG 4.06Å; I819-A1011 HydrophobicContact CD1-CB 3.78Å; I819-M1014 HydrophobicContact CD1-CB 3.53Å; I819-M1014 HydrophobicContact CD1-CE 4.35Å; I819-M1014 HydrophobicContact CD1-CG 4.05Å; I819-M1014 HydrophobicContact CG1-CB 4.21Å; I819-M1014 HydrophobicContact CG1-CE 3.64Å; I819-M1014 HydrophobicContact CG1-CG 4.31Å; I819-V1022 HydrophobicContact CD1-CG1 3.37Å; I819-V1022 HydrophobicContact CG1-CG1 3.88Å; I819-I1023 PolarHBondContact N-O 3.12Å; I819-A1024 HydrophobicContact CB-CB 4.34Å; I819-V1025 PolarHBondContact O-N 2.88Å
820	L	92.7	Very high	86.3	Confident	1 Å²	1	6.2 Å²	6.2	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.7	-178.7	-54.2	178.9	0	0	0	109.3	L818 H830 I834 V847 G848 G849 V850 G853 V856 V1025	L818-L820 HydrophobicContact CD1-CD2 4.07Å; L818-L820 HydrophobicContact CD2-CD2 4.12Å; L818-L820 HydrophobicContact CG-CD2 3.98Å; L818-L820 HydrophobicContact CG-CG 4.38Å; L820-H830 HydrophobicContact CD1-CB 4.41Å; L820-H830 HydrophobicContact CD2-CB 4.01Å; L820-I834 HydrophobicContact CD1-CD1 4.18Å; L820-V847 HydrophobicContact CD1-CG1 4.5Å; L820-G848 PolarHBondContact N-O 3.38Å; L820-G849 WeakPolarHBondContact O-CA 3.46Å; L820-V850 PolarHBondContact O-N 3.43Å; L820-G853 VanDerWaalsContact CB-CA 3.49Å; L820-G853 WeakPolarHBondContact O-CA 3.29Å; L820-V856 HydrophobicContact CD1-CB 4.25Å; L820-V856 HydrophobicContact CD1-CG1 4.14Å; L820-V1025 HydrophobicContact CD2-CB 4.24Å; L820-V1025 HydrophobicContact CD2-CG2 4.17Å
821	G	87.4	Confident	86.6	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.042	C	C	.	.			trans	-76.4	168.5	-179.7	0	0	0	0	0	114.5	H830 V850 N1008 V1025 V1027	G821-H830 PolarHBondContact O-NE2 3.11Å; G821-V850 CarbonylContact C-O 3.56Å; G821-N1008 VanDerWaalsContact CA-O 3.23Å; G821-N1008 WeakPolarHBondContact CA-O 3.33Å; G821-V1025 PolarHBondContact N-O 3.43Å; G821-V1027 WeakPolarHBondContact O-CG2 3.45Å
822	G	82.6	Confident	86.9	Confident	5 Å²	5	6 Å²	6	5%	0.052	4%	0.043	C	C	.	.			trans	-80.3	149.6	175.4	0	0	0	0	0	113.8	V850 N1008 G1028	G822-V850 WeakPolarHBondContact CA-O 3.45Å; G822-V850 PolarHBondContact N-O 3.37Å; G822-N1008 WeakPolarHBondContact CA-OD1 3.29Å; G822-N1008 PolarHBondContact N-OD1 2.79Å; G822-N1008 PolarHBondContact O-ND2 3.36Å; G822-G1028 WeakPolarHBondContact O-CA 3.01Å; G822-G1028 PolarHBondContact O-N 3.07Å
823	G	79.2	Confident	87.6	Confident	13 Å²	13	5.6 Å²	5.6	13%	0.134	4%	0.041	C	C	.	.			trans	175.1	10.8	-179.7	0	0	0	0	0	117.4	A825 R826	G823-A825 PolarHBondContact O-N 2.76Å; G823-R826 WeakPolarHBondContact O-CB 3.5Å; G823-R826 PolarHBondContact O-N 3.27Å
824	G	78.1	Confident	88.4	Confident	20 Å²	20	4.6 Å²	4.6	21%	0.206	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	62.8	-131.8	-179.3	0	0	0	0	0	113.2	R826 G827 I852	G824-R826 PolarHBondContact O-N 2.99Å; G824-R826 VanDerWaalsContact O-N 3.11Å; G824-G827 PolarHBondContact O-N 2.99Å; G824-I852 WeakPolarHBondContact O-CG1 3.43Å; G824-I852 WeakPolarHBondContact O-CG2 3.33Å
825	A	80.7	Confident	89	Confident	2 Å²	2	7.4 Å²	7.4	2%	0.017	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-56.3	-28.4	-179.4	0	0	0	0	0	113.8	G823 G827 A828 T1101 F1104	G823-A825 PolarHBondContact O-N 2.76Å; A825-G827 PolarHBondContact O-N 3.49Å; A825-A828 WeakPolarHBondContact O-CB 3.36Å; A825-A828 PolarHBondContact O-N 2.8Å; A825-A828 VanDerWaalsContact O-N 3.16Å; A825-T1101 WeakPolarHBondContact CB-O 3.45Å; A825-T1101 PolarHBondContact N-O 2.8Å; A825-F1104 HydrophobicContact CB-CB 4.5Å; A825-F1104 HydrophobicContact CB-CD1 3.76Å; A825-F1104 HydrophobicContact CB-CD2 4.34Å; A825-F1104 HydrophobicContact CB-CE1 3.98Å; A825-F1104 HydrophobicContact CB-CG 3.94Å; A825-F1104 HydrophobicContact CB-CZ 4.36Å
826	R	86.8	Confident	89.2	Confident	21 Å²	21	7.2 Å²	7.2	8%	0.079	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.8	174.6	-64.7	178.3	179.2	-152.8	-1.5	112.9	G823 G824 A828 A829 V1027 G1028 I1096 D1097 F1099	G823-R826 WeakPolarHBondContact O-CB 3.5Å; G823-R826 PolarHBondContact O-N 3.27Å; G824-R826 PolarHBondContact O-N 2.99Å; G824-R826 VanDerWaalsContact O-N 3.11Å; R826-A828 PolarHBondContact O-N 3.48Å; R826-A829 WeakPolarHBondContact O-CB 3.38Å; R826-A829 PolarHBondContact O-N 2.93Å; R826-V1027 HydrophobicContact CB-CB 4.14Å; R826-V1027 WeakPolarHBondContact CD-O 3.35Å; R826-G1028 PolarHBondContact NH1-O 3.49Å; R826-I1096 HydrophobicContact CB-CD1 3.62Å; R826-I1096 HydrophobicContact CB-CG1 4.28Å; R826-I1096 HydrophobicContact CG-CD1 4.24Å; R826-I1096 HydrophobicContact CG-CG1 4.37Å; R826-I1096 WeakPolarHBondContact O-CD1 3.08Å; R826-D1097 IonicContact NH1-OD1 3.73Å; R826-D1097 PolarHBondContact NH1-OD1 3.44Å; R826-D1097 PolarHBondContact NH2-O 3.38Å; R826-F1099 PolarHBondContact NE-O 3.16Å; R826-F1099 PolarHBondContact NH2-O 3.07Å
827	G	85.3	Confident	89.3	Confident	0 Å²	0	7 Å²	7	0%	0	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-60.7	-11.6	174.8	0	0	0	0	0	114.8	G824 A825 A829 H830	G824-G827 PolarHBondContact O-N 2.99Å; A825-G827 PolarHBondContact O-N 3.49Å; G827-A829 PolarHBondContact O-N 3.49Å; G827-H830 VanDerWaalsContact O-CB 3.24Å; G827-H830 WeakPolarHBondContact O-CB 3.28Å; G827-H830 PolarHBondContact O-CD2 2.91Å; G827-H830 PolarHBondContact O-N 3.42Å; G827-H830 VanDerWaalsContact O-N 3.07Å
828	A	88.5	Confident	89.2	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.8	-25.7	168.5	0	0	0	0	0	112.4	A825 R826 H830 V831 F877 F1107 I1110 S1111	A825-A828 WeakPolarHBondContact O-CB 3.36Å; A825-A828 PolarHBondContact O-N 2.8Å; A825-A828 VanDerWaalsContact O-N 3.16Å; R826-A828 PolarHBondContact O-N 3.48Å; A828-H830 VanDerWaalsContact C-N 3.25Å; A828-H830 PolarHBondContact O-N 2.96Å; A828-V831 WeakPolarHBondContact O-CB 3.41Å; A828-V831 PolarHBondContact O-N 3.16Å; A828-F877 HydrophobicContact CB-CD1 4.38Å; A828-F877 HydrophobicContact CB-CE1 3.92Å; A828-F877 HydrophobicContact CB-CZ 4.43Å; A828-F1107 HydrophobicContact CB-CD2 3.53Å; A828-F1107 HydrophobicContact CB-CE2 3.88Å; A828-F1107 HydrophobicContact CB-CG 4.28Å; A828-I1110 HydrophobicContact CB-CB 3.92Å; A828-I1110 HydrophobicContact CB-CG2 3.79Å; A828-S1111 WeakPolarHBondContact O-CA 3.26Å
829	A	92.1	Very high	88.9	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.2	-30	175.3	0	0	0	0	0	112.3	R826 G827 V831 G832 V833 V1027 P1094 I1096 I1110	R826-A829 WeakPolarHBondContact O-CB 3.38Å; R826-A829 PolarHBondContact O-N 2.93Å; G827-A829 PolarHBondContact O-N 3.49Å; A829-V831 VanDerWaalsContact C-N 3.27Å; A829-V831 PolarHBondContact O-N 2.79Å; A829-G832 WeakPolarHBondContact O-CA 3.49Å; A829-G832 PolarHBondContact O-N 3.04Å; A829-G832 VanDerWaalsContact O-N 3.08Å; A829-V833 WeakPolarHBondContact O-CG2 3.36Å; A829-V833 PolarHBondContact O-N 3.32Å; A829-V1027 HydrophobicContact CB-CG1 4.1Å; A829-P1094 HydrophobicContact CB-CB 4.19Å; A829-P1094 HydrophobicContact CB-CG 4.13Å; A829-I1096 HydrophobicContact CB-CD1 3.82Å; A829-I1096 HydrophobicContact CB-CG2 4.32Å; A829-I1110 HydrophobicContact CB-CG2 3.96Å
830	H	93.2	Very high	88.5	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-40.5	175.5	-65.5	-38.9	0	0	0	111.9	L820 G821 G827 A828 G832 V833 I834 V856 V1025 V1027	L820-H830 HydrophobicContact CD1-CB 4.41Å; L820-H830 HydrophobicContact CD2-CB 4.01Å; G821-H830 PolarHBondContact O-NE2 3.11Å; G827-H830 VanDerWaalsContact O-CB 3.24Å; G827-H830 WeakPolarHBondContact O-CB 3.28Å; G827-H830 PolarHBondContact O-CD2 2.91Å; G827-H830 PolarHBondContact O-N 3.42Å; G827-H830 VanDerWaalsContact O-N 3.07Å; A828-H830 VanDerWaalsContact C-N 3.25Å; A828-H830 PolarHBondContact O-N 2.96Å; H830-G832 VanDerWaalsContact C-N 3.3Å; H830-G832 PolarHBondContact O-N 2.87Å; H830-V833 PolarHBondContact O-N 3.2Å; H830-I834 VanDerWaalsContact O-CG1 3.26Å; H830-I834 WeakPolarHBondContact O-CG1 3.44Å; H830-I834 PolarHBondContact O-N 3.36Å; H830-V856 HydrophobicContact CB-CB 4.42Å; H830-V856 HydrophobicContact CB-CG1 3.94Å; H830-V1025 PolarHBondContact CE1-O 3.31Å; H830-V1025 VanDerWaalsContact ND1-CG1 3.3Å; H830-V1025 WeakPolarHBondContact ND1-CG1 3.33Å; H830-V1027 VanDerWaalsContact CE1-CG1 3.43Å; H830-V1027 WeakPolarHBondContact CE1-CG1 3.47Å; H830-V1027 VanDerWaalsContact NE2-CG2 3.27Å; H830-V1027 WeakPolarHBondContact NE2-CG2 3.35Å
831	V	93.3	Very high	88.1	Confident	5 Å²	5	17.4 Å²	17.4	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-42.2	177.1	-177.6	0	0	0	0	110.2	A828 A829 I834 K835 V856 F866 A870 A873 F1107	A828-V831 WeakPolarHBondContact O-CB 3.41Å; A828-V831 PolarHBondContact O-N 3.16Å; A829-V831 VanDerWaalsContact C-N 3.27Å; A829-V831 PolarHBondContact O-N 2.79Å; V831-I834 PolarHBondContact O-N 2.91Å; V831-K835 PolarHBondContact O-N 2.83Å; V831-V856 HydrophobicContact CG2-CG1 3.94Å; V831-V856 HydrophobicContact CG2-CG2 4.43Å; V831-F866 HydrophobicContact CG1-CE2 4.06Å; V831-F866 HydrophobicContact CG1-CZ 4.19Å; V831-F866 WeakPolarHBondContact O-CE2 3.38Å; V831-A870 HydrophobicContact CG1-CB 4.43Å; V831-A873 HydrophobicContact CG2-CB 3.98Å; V831-F1107 HydrophobicContact CB-CZ 4.49Å; V831-F1107 HydrophobicContact CG1-CZ 4.44Å; V831-F1107 HydrophobicContact CG2-CE2 4.3Å; V831-F1107 HydrophobicContact CG2-CZ 4.24Å
832	G	93	Very high	88.1	Confident	3 Å²	3	17.5 Å²	17.5	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-45.2	174.9	0	0	0	0	0	113.2	A829 H830 K835 A836 S1111 Y1115	A829-G832 WeakPolarHBondContact O-CA 3.49Å; A829-G832 PolarHBondContact O-N 3.04Å; A829-G832 VanDerWaalsContact O-N 3.08Å; H830-G832 VanDerWaalsContact C-N 3.3Å; H830-G832 PolarHBondContact O-N 2.87Å; G832-K835 VanDerWaalsContact O-CB 3.24Å; G832-K835 WeakPolarHBondContact O-CB 3.34Å; G832-K835 PolarHBondContact O-N 3.5Å; G832-A836 PolarHBondContact O-N 3.27Å; G832-A836 VanDerWaalsContact O-N 3.12Å; G832-S1111 VanDerWaalsContact CA-O 3.26Å; G832-S1111 WeakPolarHBondContact CA-O 3.47Å; G832-Y1115 WeakPolarHBondContact O-CA 3.42Å
833	V	93.6	Very high	88.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-43	178.2	176.8	0	0	0	0	111.2	A829 H830 K835 A836 I837 V1025 L1092 P1094 G1114	A829-V833 WeakPolarHBondContact O-CG2 3.36Å; A829-V833 PolarHBondContact O-N 3.32Å; H830-V833 PolarHBondContact O-N 3.2Å; V833-K835 PolarHBondContact O-N 2.94Å; V833-A836 WeakPolarHBondContact O-CB 3.32Å; V833-A836 PolarHBondContact O-N 2.96Å; V833-A836 VanDerWaalsContact O-N 3.1Å; V833-I837 HydrophobicContact CG1-CD1 3.84Å; V833-I837 HydrophobicContact CG1-CG1 4.26Å; V833-I837 WeakPolarHBondContact O-CG1 3.13Å; V833-I837 PolarHBondContact O-N 2.97Å; V833-V1025 HydrophobicContact CB-CG2 4.34Å; V833-V1025 HydrophobicContact CG1-CG2 3.73Å; V833-V1025 HydrophobicContact CG2-CG1 4.04Å; V833-L1092 HydrophobicContact CG1-CD2 3.97Å; V833-P1094 HydrophobicContact CG2-CG 4.18Å; V833-G1114 WeakPolarHBondContact CG2-O 3.47Å
834	I	93	Very high	88.9	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.8	-39.1	175.2	-68.3	164.5	0	0	0	110.8	L818 L820 H830 V831 I837 K838 V856 Y860 F866 L869	L818-I834 HydrophobicContact CD2-CD1 4.39Å; L818-I834 HydrophobicContact CD2-CG1 3.84Å; L820-I834 HydrophobicContact CD1-CD1 4.18Å; H830-I834 VanDerWaalsContact O-CG1 3.26Å; H830-I834 WeakPolarHBondContact O-CG1 3.44Å; H830-I834 PolarHBondContact O-N 3.36Å; V831-I834 PolarHBondContact O-N 2.91Å; I834-I837 PolarHBondContact O-N 2.84Å; I834-K838 HydrophobicContact CG2-CD 4.15Å; I834-K838 WeakPolarHBondContact O-CG 3.45Å; I834-K838 PolarHBondContact O-N 2.9Å; I834-K838 VanDerWaalsContact O-N 3.09Å; I834-V856 HydrophobicContact CD1-CG1 3.93Å; I834-Y860 HydrophobicContact CG2-CD2 4.12Å; I834-Y860 HydrophobicContact CG2-CE2 4.21Å; I834-Y860 HydrophobicContact CG2-CG 4.49Å; I834-F866 HydrophobicContact CG2-CD2 4.24Å; I834-L869 HydrophobicContact CB-CD2 4.46Å; I834-L869 HydrophobicContact CD1-CD2 3.99Å; I834-L869 HydrophobicContact CG2-CD2 3.93Å
835	K	93.2	Very high	89.5	Confident	74 Å²	74	17 Å²	17	32%	0.322	9%	0.087	S	C	.	.	H	α-helix	trans	-57.7	-49.6	174	-168.8	-178	169.3	-170.1	0	111.3	V831 G832 V833 K838 E839 F866 Y1115	V831-K835 PolarHBondContact O-N 2.83Å; G832-K835 VanDerWaalsContact O-CB 3.24Å; G832-K835 WeakPolarHBondContact O-CB 3.34Å; G832-K835 PolarHBondContact O-N 3.5Å; V833-K835 PolarHBondContact O-N 2.94Å; K835-K838 PolarHBondContact O-N 2.55Å; K835-E839 WeakPolarHBondContact CE-OE1 3.48Å; K835-E839 WeakPolarHBondContact O-CG 3.45Å; K835-E839 PolarHBondContact O-N 3.25Å; K835-F866 HydrophobicContact CB-CD2 4.28Å; K835-F866 HydrophobicContact CB-CE1 4.04Å; K835-F866 HydrophobicContact CB-CE2 3.51Å; K835-F866 HydrophobicContact CB-CZ 3.39Å; K835-F866 HydrophobicContact CD-CE1 3.8Å; K835-F866 HydrophobicContact CD-CZ 3.76Å; K835-F866 HydrophobicContact CG-CD1 4.3Å; K835-F866 HydrophobicContact CG-CE1 3.66Å; K835-F866 HydrophobicContact CG-CE2 4.07Å; K835-F866 HydrophobicContact CG-CZ 3.55Å; K835-Y1115 HydrophobicContact CB-CD2 3.89Å; K835-Y1115 HydrophobicContact CB-CE2 4.4Å; K835-Y1115 HydrophobicContact CD-CD2 3.72Å; K835-Y1115 HydrophobicContact CD-CE2 3.92Å; K835-Y1115 HydrophobicContact CD-CG 4.28Å; K835-Y1115 HydrophobicContact CG-CD2 3.88Å; K835-Y1115 HydrophobicContact CG-CE2 3.97Å
836	A	91.9	Very high	90	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-45	179.7	0	0	0	0	0	112.3	G832 V833 K838 E839 L840 Y1115 K1119	G832-A836 PolarHBondContact O-N 3.27Å; G832-A836 VanDerWaalsContact O-N 3.12Å; V833-A836 WeakPolarHBondContact O-CB 3.32Å; V833-A836 PolarHBondContact O-N 2.96Å; V833-A836 VanDerWaalsContact O-N 3.1Å; A836-K838 VanDerWaalsContact C-N 3.29Å; A836-K838 PolarHBondContact O-N 2.84Å; A836-E839 PolarHBondContact O-N 3.39Å; A836-L840 WeakPolarHBondContact O-CG 3.31Å; A836-L840 PolarHBondContact O-N 2.67Å; A836-Y1115 HydrophobicContact CB-CD2 3.99Å; A836-Y1115 HydrophobicContact CB-CE2 4.26Å; A836-K1119 HydrophobicContact CB-CB 4.11Å
837	I	91.2	Very high	90.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.8	-43.1	178	-67	170.6	0	0	0	110.9	L818 V833 I834 L840 G841 I842 I844 I1023 L1122	L818-I837 HydrophobicContact CD1-CD1 3.81Å; L818-I837 HydrophobicContact CD2-CD1 4.45Å; V833-I837 HydrophobicContact CG1-CD1 3.84Å; V833-I837 HydrophobicContact CG1-CG1 4.26Å; V833-I837 WeakPolarHBondContact O-CG1 3.13Å; V833-I837 PolarHBondContact O-N 2.97Å; I834-I837 PolarHBondContact O-N 2.84Å; I837-L840 PolarHBondContact O-N 3.22Å; I837-G841 PolarHBondContact O-N 3.21Å; I837-I842 HydrophobicContact CG2-CB 3.78Å; I837-I842 HydrophobicContact CG2-CG2 4.08Å; I837-I842 PolarHBondContact O-N 3.48Å; I837-I842 VanDerWaalsContact O-N 3.14Å; I837-I844 HydrophobicContact CG2-CD1 3.9Å; I837-I844 HydrophobicContact CG2-CG1 3.97Å; I837-I1023 HydrophobicContact CD1-CD1 4.33Å; I837-I1023 HydrophobicContact CD1-CG2 4.29Å; I837-L1122 HydrophobicContact CG1-CD1 3.66Å
838	K	88	Confident	90.6	Very high	57 Å²	57	16.9 Å²	16.9	25%	0.248	9%	0.088	C	C	.	.	H	α-helix	trans	-72.7	-37.4	-179.4	-69	-175.1	80.4	178.5	0	113.1	I834 K835 A836 L840 G841 Y860 N864 F866	I834-K838 HydrophobicContact CG2-CD 4.15Å; I834-K838 WeakPolarHBondContact O-CG 3.45Å; I834-K838 PolarHBondContact O-N 2.9Å; I834-K838 VanDerWaalsContact O-N 3.09Å; K835-K838 PolarHBondContact O-N 2.55Å; A836-K838 VanDerWaalsContact C-N 3.29Å; A836-K838 PolarHBondContact O-N 2.84Å; K838-L840 VanDerWaalsContact C-N 3.27Å; K838-L840 PolarHBondContact O-N 2.87Å; K838-G841 PolarHBondContact O-N 2.83Å; K838-Y860 HydrophobicContact CD-CE2 4Å; K838-N864 PolarHBondContact NZ-O 3.11Å; K838-F866 HydrophobicContact CD-CB 4.16Å
839	E	89.2	Confident	90.5	Very high	101 Å²	101	16.9 Å²	16.9	47%	0.472	9%	0.088	S	C	.	.	H	α-helix	trans	-64	-34.6	174.8	-76.6	179.7	-169.3	0	0	112.1	K835 A836 G841 Y1115	K835-E839 WeakPolarHBondContact CE-OE1 3.48Å; K835-E839 WeakPolarHBondContact O-CG 3.45Å; K835-E839 PolarHBondContact O-N 3.25Å; A836-E839 PolarHBondContact O-N 3.39Å; E839-G841 PolarHBondContact O-N 3.33Å; E839-Y1115 WeakPolarHBondContact OE2-CE2 3.38Å; E839-Y1115 VanDerWaalsContact OE2-CZ 3.29Å; E839-Y1115 PolarHBondContact OE2-OH 3.14Å
840	L	86.1	Confident	90.1	Very high	38 Å²	38	16.9 Å²	16.9	20%	0.199	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	0.3	176	-67.6	172.3	0	0	0	113.9	A836 I837 K838 I842 L1122 E1123 I1126	A836-L840 WeakPolarHBondContact O-CG 3.31Å; A836-L840 PolarHBondContact O-N 2.67Å; I837-L840 PolarHBondContact O-N 3.22Å; K838-L840 VanDerWaalsContact C-N 3.27Å; K838-L840 PolarHBondContact O-N 2.87Å; L840-I842 VanDerWaalsContact C-N 3.28Å; L840-I842 HydrophobicContact CB-CD1 4.27Å; L840-I842 HydrophobicContact CB-CG1 4.31Å; L840-I842 PolarHBondContact O-N 3.38Å; L840-L1122 HydrophobicContact CD1-CB 3.21Å; L840-L1122 HydrophobicContact CD1-CD1 3.82Å; L840-L1122 HydrophobicContact CD1-CG 4.15Å; L840-E1123 HydrophobicContact CD2-CG 4.02Å; L840-I1126 HydrophobicContact CD2-CD1 3.94Å
841	G	84.2	Confident	89.5	Confident	26 Å²	26	17.5 Å²	17.5	27%	0.268	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	21.2	177.8	0	0	0	0	0	114.7	H801 I837 K838 E839	H801-G841 PolarHBondContact CE1-O 3.2Å; H801-G841 WeakPolarHBondContact NE2-CA 3.4Å; H801-G841 PolarHBondContact NE2-O 3.19Å; I837-G841 PolarHBondContact O-N 3.21Å; K838-G841 PolarHBondContact O-N 2.83Å; E839-G841 PolarHBondContact O-N 3.33Å
842	I	87.6	Confident	89	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.093	C	C	.	.			trans	-79	123.3	176.2	-60.4	165.5	0	0	0	108.6	I816 I837 L840 I1023 L1122 Y1131 F1135	I816-I842 HydrophobicContact CG2-CG2 4.39Å; I837-I842 HydrophobicContact CG2-CB 3.78Å; I837-I842 HydrophobicContact CG2-CG2 4.08Å; I837-I842 PolarHBondContact O-N 3.48Å; I837-I842 VanDerWaalsContact O-N 3.14Å; L840-I842 VanDerWaalsContact C-N 3.28Å; L840-I842 HydrophobicContact CB-CD1 4.27Å; L840-I842 HydrophobicContact CB-CG1 4.31Å; L840-I842 PolarHBondContact O-N 3.38Å; I842-I1023 HydrophobicContact CG2-CD1 4.3Å; I842-L1122 HydrophobicContact CD1-CD1 4.04Å; I842-L1122 HydrophobicContact CD1-CD2 3.98Å; I842-L1122 HydrophobicContact CD1-CG 4.44Å; I842-Y1131 HydrophobicContact CD1-CE2 3.98Å; I842-Y1131 HydrophobicContact CG1-CE2 3.8Å; I842-Y1131 WeakPolarHBondContact CG1-OH 3.29Å; I842-F1135 HydrophobicContact CD1-CE2 4.05Å; I842-F1135 HydrophobicContact CD1-CZ 3.88Å; I842-F1135 HydrophobicContact CG1-CE2 4.44Å; I842-F1135 HydrophobicContact CG1-CZ 4.35Å; I842-F1135 HydrophobicContact CG2-CD1 4.24Å; I842-F1135 HydrophobicContact CG2-CE1 3.72Å; I842-F1135 HydrophobicContact CG2-CZ 4.05Å
843	P	88.3	Confident	88.6	Confident	9 Å²	9	17.5 Å²	17.5	6%	0.058	9%	0.091	C	C	.	.			trans	-75.9	142.7	177.8	31.4	-34.1	0	0	0	111.4	C800 R809 I816	C800-P843 VanDerWaalsContact SG-CG 3.6Å; R809-P843 VanDerWaalsContact CZ-CB 3.48Å; I816-P843 WeakPolarHBondContact CB-O 3.29Å; I816-P843 HydrophobicContact CD1-CG 3.82Å; I816-P843 WeakPolarHBondContact CG2-O 3.08Å
844	I	90.7	Very high	88.1	Confident	14 Å²	14	17.5 Å²	17.5	7%	0.072	9%	0.091	C	C	.	.			trans	-111.1	116.6	173.8	-60.2	162.3	0	0	0	107.5	L818 I837 V847 Y860	L818-I844 HydrophobicContact CB-CG1 4.47Å; L818-I844 HydrophobicContact CB-CG2 3.79Å; L818-I844 HydrophobicContact CD2-CD1 3.78Å; L818-I844 HydrophobicContact CD2-CG1 4.49Å; I837-I844 HydrophobicContact CG2-CD1 3.9Å; I837-I844 HydrophobicContact CG2-CG1 3.97Å; I844-V847 HydrophobicContact CG2-CG2 3.61Å; I844-Y860 HydrophobicContact CB-CE1 4.16Å; I844-Y860 HydrophobicContact CD1-CE1 3.56Å; I844-Y860 HydrophobicContact CG1-CE1 4.48Å; I844-Y860 HydrophobicContact CG2-CE1 4.09Å
845	D	90.4	Very high	87.8	Confident	5 Å²	5	17.8 Å²	17.8	3%	0.027	9%	0.092	C	C	.	.			trans	-98.1	-28.8	-174	-62.1	-42.2	0	0	0	112.7	R806 R809 S815 I816 I921 P922	R806-D845 WeakPolarHBondContact CA-OD1 3.38Å; R806-D845 WeakPolarHBondContact CB-OD1 3.25Å; R806-D845 WeakPolarHBondContact CD-O 3.43Å; R806-D845 HydrophobicContact CG-CB 3.83Å; R806-D845 VanDerWaalsContact CG-OD1 3.32Å; R806-D845 WeakPolarHBondContact CG-OD1 3.4Å; R809-D845 WeakPolarHBondContact CD-OD2 3.43Å; R809-D845 IonicContact CZ-OD1 2.76Å; R809-D845 VanDerWaalsContact CZ-OD1 3.28Å; R809-D845 IonicContact CZ-OD2 3.32Å; R809-D845 VanDerWaalsContact NE-CG 3.33Å; R809-D845 IonicContact NE-OD1 3.81Å; R809-D845 PolarHBondContact NE-OD1 3.09Å; R809-D845 IonicContact NE-OD2 2.83Å; R809-D845 PolarHBondContact NE-OD2 3.3Å; R809-D845 IonicContact NH2-OD1 2.9Å; R809-D845 PolarHBondContact NH2-OD1 2.86Å; S815-D845 VanDerWaalsContact CA-OD2 3.31Å; S815-D845 WeakPolarHBondContact CA-OD2 3.23Å; I816-D845 PolarHBondContact N-OD2 2.7Å; I816-D845 WeakPolarHBondContact O-CB 3.3Å; I816-D845 PolarHBondContact O-N 3.25Å; D845-I921 WeakPolarHBondContact O-CG2 3.49Å; D845-P922 WeakPolarHBondContact O-CD 2.9Å
846	I	91.2	Very high	87.6	Confident	21 Å²	21	14.2 Å²	14.2	11%	0.108	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146.2	178.7	178.3	163.6	0	0	0	110	G817 L818 P922 F924 M1014 L1017 V1019	G817-I846 WeakPolarHBondContact CA-O 3.37Å; L818-I846 PolarHBondContact N-O 3.25Å; I846-P922 WeakPolarHBondContact CA-O 3.18Å; I846-P922 HydrophobicContact CB-CB 4.26Å; I846-P922 HydrophobicContact CD1-CB 4.15Å; I846-P922 HydrophobicContact CG1-CB 4.04Å; I846-P922 WeakPolarHBondContact CG1-O 3.11Å; I846-F924 HydrophobicContact CD1-CD1 4.41Å; I846-M1014 HydrophobicContact CB-SD 4.21Å; I846-M1014 HydrophobicContact CD1-SD 4.08Å; I846-M1014 HydrophobicContact CG1-CE 4.24Å; I846-M1014 HydrophobicContact CG1-SD 3.82Å; I846-M1014 HydrophobicContact CG2-CE 4.02Å; I846-M1014 HydrophobicContact CG2-SD 3.43Å; I846-M1014 WeakPolarHBondContact CG2-SD 3.26Å; I846-M1014 WeakPolarHBondContact O-CE 3.24Å; I846-L1017 HydrophobicContact CD1-CD1 3.58Å; I846-V1019 HydrophobicContact CG2-CG2 3.44Å; I846-V1019 VanDerWaalsContact CG2-CG2 3.44Å
847	V	93.2	Very high	87.4	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.2	-179.1	-176.8	0	0	0	0	110.9	L818 L820 I844 Y860 C861 I921 P922 Y923 F924	L818-V847 HydrophobicContact CB-CG2 4.45Å; L818-V847 CarbonylContact O-C 3.18Å; L818-V847 VanDerWaalsContact O-CA 3.29Å; L818-V847 WeakPolarHBondContact O-CA 3.49Å; L820-V847 HydrophobicContact CD1-CG1 4.5Å; I844-V847 HydrophobicContact CG2-CG2 3.61Å; V847-Y860 HydrophobicContact CG2-CD1 4.06Å; V847-Y860 HydrophobicContact CG2-CE1 4.31Å; V847-C861 VanDerWaalsContact CB-SG 3.5Å; V847-C861 VanDerWaalsContact CG2-SG 3.51Å; V847-I921 HydrophobicContact CG2-CG2 4.26Å; V847-P922 PolarHBondContact N-O 3.47Å; V847-Y923 HydrophobicContact CB-CD2 4.32Å; V847-Y923 HydrophobicContact CG1-CD2 4.36Å; V847-Y923 VanDerWaalsContact O-CA 3.3Å; V847-Y923 WeakPolarHBondContact O-CA 3.18Å; V847-F924 PolarHBondContact O-N 3.43Å
848	G	90.2	Very high	87.2	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142.1	170.6	0	0	0	0	0	110.4	L818 I819 L820 F924	L818-G848 PolarHBondContact O-N 3.18Å; I819-G848 WeakPolarHBondContact CA-O 3.32Å; L820-G848 PolarHBondContact N-O 3.38Å; G848-F924 WeakPolarHBondContact CA-O 3.25Å
849	G	86.8	Confident	87.2	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.1	177.8	0	0	0	0	0	114.9	L820 F924 N925 I926	L820-G849 WeakPolarHBondContact O-CA 3.46Å; G849-F924 PolarHBondContact N-O 3.5Å; G849-F924 VanDerWaalsContact N-O 3.11Å; G849-N925 VanDerWaalsContact O-CA 3.31Å; G849-N925 WeakPolarHBondContact O-CA 3.36Å; G849-N925 WeakPolarHBondContact O-CB 3.29Å; G849-I926 PolarHBondContact O-N 2.62Å
850	V	84.2	Confident	87.2	Confident	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.044	C	C	.	.			trans	-125.2	133.7	173.2	-176.3	0	0	0	0	109	L820 G821 G822 I852 G853 A854 I926 N1007 P1010	L820-V850 PolarHBondContact O-N 3.43Å; G821-V850 CarbonylContact C-O 3.56Å; G822-V850 WeakPolarHBondContact CA-O 3.45Å; G822-V850 PolarHBondContact N-O 3.37Å; V850-I852 PolarHBondContact O-N 2.92Å; V850-G853 WeakPolarHBondContact O-CA 3.24Å; V850-G853 PolarHBondContact O-N 3.39Å; V850-A854 PolarHBondContact O-N 3.31Å; V850-I926 HydrophobicContact CG2-CB 4.33Å; V850-N1007 WeakPolarHBondContact CG2-O 3.23Å; V850-P1010 HydrophobicContact CG2-CG 3.83Å
851	S	80.1	Confident	87.4	Confident	13 Å²	13	5.3 Å²	5.3	9%	0.091	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-127.6	175.8	-165.1	0	0	0	0	111.9	G853 A854 F855 S950 M951 D1002	S851-G853 PolarHBondContact O-N 2.85Å; S851-G853 VanDerWaalsContact O-N 3.14Å; S851-A854 WeakPolarHBondContact O-CA 3.22Å; S851-A854 VanDerWaalsContact O-CB 3.25Å; S851-A854 WeakPolarHBondContact O-CB 3.36Å; S851-A854 PolarHBondContact O-N 3.05Å; S851-F855 PolarHBondContact O-N 3.4Å; S851-S950 WeakPolarHBondContact CA-O 3.21Å; S851-S950 WeakPolarHBondContact CB-O 3.23Å; S851-S950 PolarHBondContact N-O 3.12Å; S851-S950 VanDerWaalsContact N-O 3.1Å; S851-S950 PolarHBondContact N-OG 3.02Å; S851-S950 PolarHBondContact OG-O 3.32Å; S851-M951 WeakPolarHBondContact O-CG 3.46Å; S851-M951 WeakPolarHBondContact OG-CA 3.25Å; S851-D1002 WeakPolarHBondContact CB-OD2 3.38Å; S851-D1002 PolarHBondContact OG-OD2 2.55Å; S851-D1002 VanDerWaalsContact OG-OD2 3.12Å
852	I	83.1	Confident	87.4	Confident	7 Å²	7	4.4 Å²	4.4	4%	0.036	2%	0.024	C	C	.	.	H	α-helix	trans	-57.4	-28.2	176.7	-165.9	64.2	0	0	0	112.8	G824 V850 F855 V856 F877 M951	G824-I852 WeakPolarHBondContact O-CG1 3.43Å; G824-I852 WeakPolarHBondContact O-CG2 3.33Å; V850-I852 PolarHBondContact O-N 2.92Å; I852-F855 HydrophobicContact CD1-CB 4.33Å; I852-F855 HydrophobicContact CD1-CD1 3.94Å; I852-F855 HydrophobicContact CD1-CG 4.47Å; I852-F855 WeakPolarHBondContact O-CB 3.41Å; I852-F855 PolarHBondContact O-N 2.83Å; I852-V856 WeakPolarHBondContact O-CG2 3.37Å; I852-V856 PolarHBondContact O-N 2.9Å; I852-F877 HydrophobicContact CD1-CE1 4.4Å; I852-F877 HydrophobicContact CD1-CE2 3.94Å; I852-F877 HydrophobicContact CD1-CZ 3.62Å; I852-F877 HydrophobicContact CG1-CE1 4.46Å; I852-F877 HydrophobicContact CG1-CE2 4.43Å; I852-F877 HydrophobicContact CG1-CZ 3.72Å; I852-M951 HydrophobicContact CD1-CE 3.99Å
853	G	85	Confident	86.9	Confident	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67	-35.3	173.5	0	0	0	0	0	112.6	L820 V850 S851 F855 G857	L820-G853 VanDerWaalsContact CB-CA 3.49Å; L820-G853 WeakPolarHBondContact O-CA 3.29Å; V850-G853 WeakPolarHBondContact O-CA 3.24Å; V850-G853 PolarHBondContact O-N 3.39Å; S851-G853 PolarHBondContact O-N 2.85Å; S851-G853 VanDerWaalsContact O-N 3.14Å; G853-F855 VanDerWaalsContact C-N 3.35Å; G853-G857 PolarHBondContact O-N 3.12Å
854	A	83.5	Confident	86.1	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62	-44.4	171.4	0	0	0	0	0	110.8	V850 S851 G858 Y923 N925 S950	V850-A854 PolarHBondContact O-N 3.31Å; S851-A854 WeakPolarHBondContact O-CA 3.22Å; S851-A854 VanDerWaalsContact O-CB 3.25Å; S851-A854 WeakPolarHBondContact O-CB 3.36Å; S851-A854 PolarHBondContact O-N 3.05Å; A854-G858 PolarHBondContact O-N 3.29Å; A854-Y923 WeakPolarHBondContact CA-OH 3.29Å; A854-Y923 VanDerWaalsContact CB-OH 3.29Å; A854-Y923 WeakPolarHBondContact CB-OH 3.18Å; A854-Y923 PolarHBondContact O-OH 2.93Å; A854-N925 HydrophobicContact CB-CB 3.97Å; A854-S950 WeakPolarHBondContact CB-OG 3.49Å
855	F	85.5	Confident	85.8	Confident	6 Å²	6	12.5 Å²	12.5	3%	0.026	6%	0.063	C	C	.	.	H	α-helix	trans	-61.7	-52.1	177	174.6	-105.6	0	0	0	113	S851 I852 G853 G858 L859 F877 L907 V910 F911 M951	S851-F855 PolarHBondContact O-N 3.4Å; I852-F855 HydrophobicContact CD1-CB 4.33Å; I852-F855 HydrophobicContact CD1-CD1 3.94Å; I852-F855 HydrophobicContact CD1-CG 4.47Å; I852-F855 WeakPolarHBondContact O-CB 3.41Å; I852-F855 PolarHBondContact O-N 2.83Å; G853-F855 VanDerWaalsContact C-N 3.35Å; F855-G858 PolarHBondContact O-N 2.75Å; F855-L859 HydrophobicContact CD1-CD1 4.22Å; F855-L859 HydrophobicContact CE1-CD1 3.58Å; F855-L859 HydrophobicContact CE2-CD1 4.11Å; F855-L859 HydrophobicContact CE2-CG 4.35Å; F855-L859 HydrophobicContact CZ-CD1 3.51Å; F855-L859 HydrophobicContact CZ-CG 4.23Å; F855-L859 PolarHBondContact O-N 2.82Å; F855-F877 HydrophobicContact CD1-CE2 4.32Å; F855-F877 HydrophobicContact CE1-CD2 4.47Å; F855-F877 HydrophobicContact CE1-CE2 4.15Å; F855-L907 HydrophobicContact CD2-CD2 3.39Å; F855-L907 HydrophobicContact CE2-CD2 3.56Å; F855-L907 HydrophobicContact CG-CD2 4.45Å; F855-V910 HydrophobicContact CE2-CG1 4.02Å; F855-V910 HydrophobicContact CZ-CG1 4.34Å; F855-F911 AromaticContact CD2-CE2 3.56Å; F855-F911 HydrophobicContact CD2-CE2 3.56Å; F855-F911 AromaticContact CD2-CZ 3.63Å; F855-F911 HydrophobicContact CD2-CZ 3.63Å; F855-F911 AromaticContact CE2-CE2 3.86Å; F855-F911 HydrophobicContact CE2-CE2 3.86Å; F855-F911 AromaticContact CE2-CZ 3.89Å; F855-F911 HydrophobicContact CE2-CZ 3.89Å; F855-M951 HydrophobicContact CB-CE 4.29Å; F855-M951 HydrophobicContact CB-SD 3.77Å; F855-M951 HydrophobicContact CG-SD 4.48Å
856	V	88.4	Confident	85.5	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.4	-41.2	-179.8	176.2	0	0	0	0	111	L820 H830 V831 I834 I852 L859 Y860 L869 F877	L820-V856 HydrophobicContact CD1-CB 4.25Å; L820-V856 HydrophobicContact CD1-CG1 4.14Å; H830-V856 HydrophobicContact CB-CB 4.42Å; H830-V856 HydrophobicContact CB-CG1 3.94Å; V831-V856 HydrophobicContact CG2-CG1 3.94Å; V831-V856 HydrophobicContact CG2-CG2 4.43Å; I834-V856 HydrophobicContact CD1-CG1 3.93Å; I852-V856 WeakPolarHBondContact O-CG2 3.37Å; I852-V856 PolarHBondContact O-N 2.9Å; V856-L859 PolarHBondContact O-N 3.14Å; V856-Y860 PolarHBondContact O-N 2.73Å; V856-Y860 VanDerWaalsContact O-N 3.09Å; V856-L869 HydrophobicContact CG1-CD1 4.44Å; V856-F877 HydrophobicContact CG2-CE2 4.42Å
857	G	88.3	Confident	85.3	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-44.6	176.6	0	0	0	0	0	112.3	G853 L859 Y860 C861	G853-G857 PolarHBondContact O-N 3.12Å; G857-L859 VanDerWaalsContact C-N 3.34Å; G857-L859 PolarHBondContact O-N 3.43Å; G857-Y860 PolarHBondContact O-N 2.94Å; G857-Y860 VanDerWaalsContact O-N 3.13Å; G857-C861 PolarHBondContact O-N 3Å; G857-C861 PolarHBondContact O-SG 3.16Å; G857-C861 VanDerWaalsContact O-SG 3.32Å
858	G	87.5	Confident	85	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-40.4	177	0	0	0	0	0	112.3	A854 F855 Y860 C861 M862 Y923	A854-G858 PolarHBondContact O-N 3.29Å; F855-G858 PolarHBondContact O-N 2.75Å; G858-Y860 VanDerWaalsContact C-N 3.32Å; G858-Y860 PolarHBondContact O-N 3.15Å; G858-C861 PolarHBondContact O-N 3.44Å; G858-M862 WeakPolarHBondContact O-CB 3.39Å; G858-M862 PolarHBondContact O-N 3.1Å; G858-Y923 VanDerWaalsContact N-CE2 3.33Å
859	L	87.7	Confident	84.8	Confident	2 Å²	2	20 Å²	20	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-40.1	173.2	-81.4	177.8	0	0	0	112.5	F855 V856 G857 N863 L869 K872 A873 V910 F911	F855-L859 HydrophobicContact CD1-CD1 4.22Å; F855-L859 HydrophobicContact CE1-CD1 3.58Å; F855-L859 HydrophobicContact CE2-CD1 4.11Å; F855-L859 HydrophobicContact CE2-CG 4.35Å; F855-L859 HydrophobicContact CZ-CD1 3.51Å; F855-L859 HydrophobicContact CZ-CG 4.23Å; F855-L859 PolarHBondContact O-N 2.82Å; V856-L859 PolarHBondContact O-N 3.14Å; G857-L859 VanDerWaalsContact C-N 3.34Å; G857-L859 PolarHBondContact O-N 3.43Å; L859-N863 PolarHBondContact O-N 2.55Å; L859-L869 HydrophobicContact CB-CD1 3.47Å; L859-L869 VanDerWaalsContact CB-CD1 3.47Å; L859-L869 HydrophobicContact CD1-CD1 4.36Å; L859-K872 HydrophobicContact CD2-CB 4.28Å; L859-K872 HydrophobicContact CD2-CD 4.32Å; L859-A873 HydrophobicContact CD1-CB 4.33Å; L859-V910 HydrophobicContact CD2-CG1 3.47Å; L859-V910 VanDerWaalsContact CD2-CG1 3.47Å; L859-V910 HydrophobicContact CG-CG1 4.36Å; L859-F911 HydrophobicContact CD2-CD1 4.48Å; L859-F911 HydrophobicContact CD2-CE1 3.8Å; L859-F911 HydrophobicContact CD2-CZ 4.39Å; L859-F911 HydrophobicContact CG-CE1 3.89Å; L859-F911 HydrophobicContact CG-CZ 4.08Å
860	Y	90.1	Very high	84.9	Confident	8 Å²	8	21.2 Å²	21.2	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-71.3	-41.9	179	176.9	-116.8	0	0	0	112.2	I834 K838 I844 V847 V856 G857 G858 M862 N863 L869 I921	I834-Y860 HydrophobicContact CG2-CD2 4.12Å; I834-Y860 HydrophobicContact CG2-CE2 4.21Å; I834-Y860 HydrophobicContact CG2-CG 4.49Å; K838-Y860 HydrophobicContact CD-CE2 4Å; I844-Y860 HydrophobicContact CB-CE1 4.16Å; I844-Y860 HydrophobicContact CD1-CE1 3.56Å; I844-Y860 HydrophobicContact CG1-CE1 4.48Å; I844-Y860 HydrophobicContact CG2-CE1 4.09Å; V847-Y860 HydrophobicContact CG2-CD1 4.06Å; V847-Y860 HydrophobicContact CG2-CE1 4.31Å; V856-Y860 PolarHBondContact O-N 2.73Å; V856-Y860 VanDerWaalsContact O-N 3.09Å; G857-Y860 PolarHBondContact O-N 2.94Å; G857-Y860 VanDerWaalsContact O-N 3.13Å; G858-Y860 VanDerWaalsContact C-N 3.32Å; G858-Y860 PolarHBondContact O-N 3.15Å; Y860-M862 VanDerWaalsContact C-N 3.26Å; Y860-M862 PolarHBondContact O-N 2.81Å; Y860-N863 CarbonylContact O-C 3.52Å; Y860-N863 PolarHBondContact O-N 3.3Å; Y860-L869 HydrophobicContact CD2-CD2 4.03Å; Y860-L869 HydrophobicContact CG-CD2 4.36Å; Y860-I921 HydrophobicContact CD1-CD1 4.19Å; Y860-I921 HydrophobicContact CE1-CD1 3.63Å
861	C	90.1	Very high	85.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.7	-28	177.6	-65.3	0	0	0	0	113	V847 G857 G858 L919 W920 I921 Y923	V847-C861 VanDerWaalsContact CB-SG 3.5Å; V847-C861 VanDerWaalsContact CG2-SG 3.51Å; G857-C861 PolarHBondContact O-N 3Å; G857-C861 PolarHBondContact O-SG 3.16Å; G857-C861 VanDerWaalsContact O-SG 3.32Å; G858-C861 PolarHBondContact O-N 3.44Å; C861-L919 HydrophobicContact CB-CB 4.16Å; C861-L919 HydrophobicContact CB-CD1 4.04Å; C861-L919 HydrophobicContact CB-CD2 4.3Å; C861-L919 HydrophobicContact CB-CG 4.42Å; C861-W920 PolarHBondContact O-N 3.14Å; C861-I921 HydrophobicContact CB-CB 4.11Å; C861-Y923 HydrophobicContact CB-CD2 4.49Å
862	M	83.9	Confident	85.4	Confident	7 Å²	7	28.4 Å²	28.4	3%	0.034	15%	0.15	C	C	.	.	H	α-helix	trans	-69.1	-42.3	177	-171.6	-176.3	81	0	0	111.5	N751 G858 Y860 K872 F911 I914 L919	N751-M862 WeakPolarHBondContact ND2-CG 3.42Å; G858-M862 WeakPolarHBondContact O-CB 3.39Å; G858-M862 PolarHBondContact O-N 3.1Å; Y860-M862 VanDerWaalsContact C-N 3.26Å; Y860-M862 PolarHBondContact O-N 2.81Å; M862-K872 HydrophobicContact CE-CD 4.44Å; M862-K872 VanDerWaalsContact CE-NZ 3.27Å; M862-F911 HydrophobicContact SD-CD1 4.44Å; M862-I914 HydrophobicContact CG-CD1 3.9Å; M862-I914 HydrophobicContact SD-CD1 3.28Å; M862-I914 WeakPolarHBondContact SD-CD1 3.37Å; M862-L919 HydrophobicContact CB-CD2 3.82Å; M862-L919 HydrophobicContact CG-CD2 4.38Å
863	N	77	Confident	85.5	Confident	32 Å²	32	28 Å²	28	17%	0.171	15%	0.148	C	C	.	.			trans	-131.2	111.9	-179.7	-73.7	-7.8	0	0	0	109.6	L859 Y860 E865	L859-N863 PolarHBondContact O-N 2.55Å; Y860-N863 CarbonylContact O-C 3.52Å; Y860-N863 PolarHBondContact O-N 3.3Å; N863-E865 PolarHBondContact O-N 3.19Å
864	N	72.2	Confident	85.6	Confident	40 Å²	40	31.3 Å²	31.3	21%	0.214	16%	0.162	C	C	.	.			trans	-63.6	-8.5	178.2	-164.5	-0.5	0	0	0	112.9	R772 K838	R772-N864 PolarHBondContact NH2-ND2 2.82Å; R772-N864 VanDerWaalsContact NH2-ND2 3.11Å; K838-N864 PolarHBondContact NZ-O 3.11Å
865	E	83.2	Confident	85.8	Confident	122 Å²	122	35.6 Å²	35.6	57%	0.57	18%	0.182	S	C	*	.			trans	-84.4	130.8	177.5	-71.3	-178.2	176.4	0	0	113.6	N863 N868 L869	N863-E865 PolarHBondContact O-N 3.19Å; E865-N868 PolarHBondContact OE2-ND2 2.88Å; E865-L869 PolarHBondContact O-N 3.19Å
866	F	85	Confident	85.5	Confident	47 Å²	47	35.5 Å²	35.5	21%	0.206	18%	0.182	C	C	.	.	H	α-helix	trans	-70.1	-39.6	-177	176.9	-100.8	0	0	0	113	V831 I834 K835 K838 N868 L869 A870	V831-F866 HydrophobicContact CG1-CE2 4.06Å; V831-F866 HydrophobicContact CG1-CZ 4.19Å; V831-F866 WeakPolarHBondContact O-CE2 3.38Å; I834-F866 HydrophobicContact CG2-CD2 4.24Å; K835-F866 HydrophobicContact CB-CD2 4.28Å; K835-F866 HydrophobicContact CB-CE1 4.04Å; K835-F866 HydrophobicContact CB-CE2 3.51Å; K835-F866 HydrophobicContact CB-CZ 3.39Å; K835-F866 HydrophobicContact CD-CE1 3.8Å; K835-F866 HydrophobicContact CD-CZ 3.76Å; K835-F866 HydrophobicContact CG-CD1 4.3Å; K835-F866 HydrophobicContact CG-CE1 3.66Å; K835-F866 HydrophobicContact CG-CE2 4.07Å; K835-F866 HydrophobicContact CG-CZ 3.55Å; K838-F866 HydrophobicContact CD-CB 4.16Å; F866-N868 VanDerWaalsContact C-N 3.27Å; F866-N868 PolarHBondContact O-N 3.35Å; F866-L869 HydrophobicContact CD2-CD2 4.27Å; F866-L869 HydrophobicContact CE2-CD2 4.48Å; F866-L869 WeakPolarHBondContact O-CB 3.21Å; F866-L869 PolarHBondContact O-N 3.21Å; F866-L869 VanDerWaalsContact O-N 3.12Å; F866-A870 HydrophobicContact CE1-CB 4.13Å; F866-A870 HydrophobicContact CZ-CB 4.11Å; F866-A870 PolarHBondContact O-N 2.98Å
867	S	86.6	Confident	85.1	Confident	78 Å²	78	35.7 Å²	35.7	55%	0.545	18%	0.184	S	C	.	.	H	α-helix	trans	-58.1	-41.4	-178.3	-50	0	0	0	0	111.9	A870 I871	S867-A870 PolarHBondContact O-N 3.1Å; S867-I871 WeakPolarHBondContact O-CD1 3.43Å; S867-I871 VanDerWaalsContact O-CG1 3.28Å; S867-I871 WeakPolarHBondContact O-CG1 3.48Å; S867-I871 PolarHBondContact O-N 2.89Å; S867-I871 VanDerWaalsContact O-N 3.1Å
868	N	86	Confident	84.8	Confident	57 Å²	57	40.8 Å²	40.8	31%	0.305	21%	0.207	S	C	.	.	H	α-helix	trans	-68.3	-39.2	177.6	-69.5	-32	0	0	0	112.3	E865 F866 K872	E865-N868 PolarHBondContact OE2-ND2 2.88Å; F866-N868 VanDerWaalsContact C-N 3.27Å; F866-N868 PolarHBondContact O-N 3.35Å; N868-K872 WeakPolarHBondContact O-CB 3.23Å; N868-K872 WeakPolarHBondContact O-CG 3.46Å; N868-K872 PolarHBondContact O-N 3.23Å; N868-K872 VanDerWaalsContact O-N 3.08Å
869	L	87.4	Confident	84.2	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-50.3	173.4	172.1	66.8	0	0	0	110.7	I834 V856 L859 Y860 E865 F866 I871 A873	I834-L869 HydrophobicContact CB-CD2 4.46Å; I834-L869 HydrophobicContact CD1-CD2 3.99Å; I834-L869 HydrophobicContact CG2-CD2 3.93Å; V856-L869 HydrophobicContact CG1-CD1 4.44Å; L859-L869 HydrophobicContact CB-CD1 3.47Å; L859-L869 VanDerWaalsContact CB-CD1 3.47Å; L859-L869 HydrophobicContact CD1-CD1 4.36Å; Y860-L869 HydrophobicContact CD2-CD2 4.03Å; Y860-L869 HydrophobicContact CG-CD2 4.36Å; E865-L869 PolarHBondContact O-N 3.19Å; F866-L869 HydrophobicContact CD2-CD2 4.27Å; F866-L869 HydrophobicContact CE2-CD2 4.48Å; F866-L869 WeakPolarHBondContact O-CB 3.21Å; F866-L869 PolarHBondContact O-N 3.21Å; F866-L869 VanDerWaalsContact O-N 3.12Å; L869-I871 PolarHBondContact O-N 3.32Å; L869-A873 WeakPolarHBondContact O-CB 3.48Å; L869-A873 PolarHBondContact O-N 3.3Å
870	A	88.3	Confident	83.2	Confident	26 Å²	26	47.2 Å²	47.2	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-44.8	-176.6	0	0	0	0	0	112.4	V831 F866 S867 K874	V831-A870 HydrophobicContact CG1-CB 4.43Å; F866-A870 HydrophobicContact CE1-CB 4.13Å; F866-A870 HydrophobicContact CZ-CB 4.11Å; F866-A870 PolarHBondContact O-N 2.98Å; S867-A870 PolarHBondContact O-N 3.1Å; A870-K874 VanDerWaalsContact O-CB 3.28Å; A870-K874 WeakPolarHBondContact O-CB 3.43Å; A870-K874 PolarHBondContact O-N 3.23Å
871	I	89.4	Confident	82.1	Confident	91 Å²	91	47.8 Å²	47.8	47%	0.467	25%	0.246	S	C	.	.	H	α-helix	trans	-65	-52.4	179.2	-64.8	164.9	0	0	0	110.6	S867 L869 A873 K874 E875	S867-I871 WeakPolarHBondContact O-CD1 3.43Å; S867-I871 VanDerWaalsContact O-CG1 3.28Å; S867-I871 WeakPolarHBondContact O-CG1 3.48Å; S867-I871 PolarHBondContact O-N 2.89Å; S867-I871 VanDerWaalsContact O-N 3.1Å; L869-I871 PolarHBondContact O-N 3.32Å; I871-A873 VanDerWaalsContact C-N 3.35Å; I871-A873 PolarHBondContact O-N 3.08Å; I871-K874 PolarHBondContact O-N 3.3Å; I871-E875 WeakPolarHBondContact O-CG 3.43Å; I871-E875 PolarHBondContact O-N 3.2Å
872	K	85.9	Confident	80.8	Confident	72 Å²	72	50.5 Å²	50.5	31%	0.313	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-38.3	-178.6	-72.7	-173.6	175	-171.5	0	112.5	L859 M862 N868 S876	L859-K872 HydrophobicContact CD2-CB 4.28Å; L859-K872 HydrophobicContact CD2-CD 4.32Å; M862-K872 HydrophobicContact CE-CD 4.44Å; M862-K872 VanDerWaalsContact CE-NZ 3.27Å; N868-K872 WeakPolarHBondContact O-CB 3.23Å; N868-K872 WeakPolarHBondContact O-CG 3.46Å; N868-K872 PolarHBondContact O-N 3.23Å; N868-K872 VanDerWaalsContact O-N 3.08Å; K872-S876 VanDerWaalsContact O-CB 3.3Å; K872-S876 WeakPolarHBondContact O-CB 3.34Å; K872-S876 PolarHBondContact O-N 3.34Å; K872-S876 PolarHBondContact O-OG 3.28Å
873	A	85.4	Confident	79.1	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-50.3	174.9	0	0	0	0	0	110.4	V831 L859 L869 I871 E875 S876 F877 F1107	V831-A873 HydrophobicContact CG2-CB 3.98Å; L859-A873 HydrophobicContact CD1-CB 4.33Å; L869-A873 WeakPolarHBondContact O-CB 3.48Å; L869-A873 PolarHBondContact O-N 3.3Å; I871-A873 VanDerWaalsContact C-N 3.35Å; I871-A873 PolarHBondContact O-N 3.08Å; A873-E875 PolarHBondContact O-N 3.31Å; A873-S876 PolarHBondContact O-N 2.77Å; A873-S876 VanDerWaalsContact O-N 3.15Å; A873-F877 WeakPolarHBondContact O-CD2 3.35Å; A873-F877 PolarHBondContact O-N 2.96Å; A873-F1107 HydrophobicContact CB-CE2 4.11Å; A873-F1107 HydrophobicContact CB-CZ 4.05Å
874	K	87.6	Confident	77.2	Confident	68 Å²	68	62.8 Å²	62.8	30%	0.296	31%	0.313	S	S	.	.	H	α-helix	trans	-57	-49	178.9	-176.3	168.2	-177.9	154.2	0	112.3	A870 I871 S876 F877 Q878 F1107 D1108	A870-K874 VanDerWaalsContact O-CB 3.28Å; A870-K874 WeakPolarHBondContact O-CB 3.43Å; A870-K874 PolarHBondContact O-N 3.23Å; I871-K874 PolarHBondContact O-N 3.3Å; K874-S876 VanDerWaalsContact C-N 3.3Å; K874-S876 PolarHBondContact O-N 2.91Å; K874-F877 PolarHBondContact O-N 3.29Å; K874-Q878 WeakPolarHBondContact O-CB 3.14Å; K874-Q878 VanDerWaalsContact O-CG 3.29Å; K874-Q878 WeakPolarHBondContact O-CG 3.3Å; K874-Q878 PolarHBondContact O-N 3.02Å; K874-F1107 HydrophobicContact CB-CD1 3.94Å; K874-F1107 HydrophobicContact CB-CE1 3.66Å; K874-F1107 HydrophobicContact CB-CZ 4.12Å; K874-F1107 HydrophobicContact CD-CD1 4.25Å; K874-F1107 HydrophobicContact CD-CE1 4.37Å; K874-F1107 HydrophobicContact CG-CD1 3.88Å; K874-F1107 HydrophobicContact CG-CE1 4.08Å; K874-D1108 WeakPolarHBondContact CE-OD1 3.32Å; K874-D1108 IonicContact NZ-OD1 2.73Å; K874-D1108 PolarHBondContact NZ-OD1 2.96Å; K874-D1108 IonicContact NZ-OD2 2.76Å; K874-D1108 PolarHBondContact NZ-OD2 3.35Å
875	E	86.3	Confident	76.3	Confident	90 Å²	90	62.5 Å²	62.5	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-40.7	177.4	-72.9	179.4	-172.4	0	0	112.3	I871 A873 Q878 K879	I871-E875 WeakPolarHBondContact O-CG 3.43Å; I871-E875 PolarHBondContact O-N 3.2Å; A873-E875 PolarHBondContact O-N 3.31Å; E875-Q878 PolarHBondContact O-N 3.37Å; E875-K879 WeakPolarHBondContact O-CB 3.37Å; E875-K879 VanDerWaalsContact O-CG 3.3Å; E875-K879 WeakPolarHBondContact O-CG 3.47Å; E875-K879 PolarHBondContact O-N 3.48Å
876	S	80.1	Confident	74.9	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-69.6	-42.2	-178.9	-58	0	0	0	0	112.1	K872 A873 K874 K879 A880 V910	K872-S876 VanDerWaalsContact O-CB 3.3Å; K872-S876 WeakPolarHBondContact O-CB 3.34Å; K872-S876 PolarHBondContact O-N 3.34Å; K872-S876 PolarHBondContact O-OG 3.28Å; A873-S876 PolarHBondContact O-N 2.77Å; A873-S876 VanDerWaalsContact O-N 3.15Å; K874-S876 VanDerWaalsContact C-N 3.3Å; K874-S876 PolarHBondContact O-N 2.91Å; S876-K879 PolarHBondContact O-N 3.26Å; S876-A880 WeakPolarHBondContact O-CB 3.42Å; S876-A880 PolarHBondContact O-N 3.41Å; S876-V910 WeakPolarHBondContact OG-CG2 2.91Å
877	F	80.4	Confident	73.1	Confident	5 Å²	5	62.5 Å²	62.5	2%	0.022	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-39.4	175.6	-84.3	-116.3	0	0	0	111.4	A828 I852 F855 V856 A873 K874 A880 S881 F1104 F1107	A828-F877 HydrophobicContact CB-CD1 4.38Å; A828-F877 HydrophobicContact CB-CE1 3.92Å; A828-F877 HydrophobicContact CB-CZ 4.43Å; I852-F877 HydrophobicContact CD1-CE1 4.4Å; I852-F877 HydrophobicContact CD1-CE2 3.94Å; I852-F877 HydrophobicContact CD1-CZ 3.62Å; I852-F877 HydrophobicContact CG1-CE1 4.46Å; I852-F877 HydrophobicContact CG1-CE2 4.43Å; I852-F877 HydrophobicContact CG1-CZ 3.72Å; F855-F877 HydrophobicContact CD1-CE2 4.32Å; F855-F877 HydrophobicContact CE1-CD2 4.47Å; F855-F877 HydrophobicContact CE1-CE2 4.15Å; V856-F877 HydrophobicContact CG2-CE2 4.42Å; A873-F877 WeakPolarHBondContact O-CD2 3.35Å; A873-F877 PolarHBondContact O-N 2.96Å; K874-F877 PolarHBondContact O-N 3.29Å; F877-A880 PolarHBondContact O-N 2.88Å; F877-S881 PolarHBondContact O-N 3.1Å; F877-S881 VanDerWaalsContact O-N 3.1Å; F877-F1104 AromaticContact CD1-CD1 3.69Å; F877-F1104 HydrophobicContact CD1-CD1 3.69Å; F877-F1104 HydrophobicContact CD1-CE1 4.34Å; F877-F1104 HydrophobicContact CE1-CD1 4.16Å; F877-F1104 HydrophobicContact CE1-CE1 4.4Å; F877-F1104 HydrophobicContact CG-CD1 4.36Å; F877-F1107 HydrophobicContact CB-CB 4.48Å; F877-F1107 HydrophobicContact CB-CD2 3.84Å; F877-F1107 HydrophobicContact CB-CG 4.44Å; F877-F1107 AromaticContact CD1-CD2 3.73Å; F877-F1107 HydrophobicContact CD1-CD2 3.73Å; F877-F1107 HydrophobicContact CD1-CE2 4.41Å; F877-F1107 HydrophobicContact CD2-CD2 4.1Å; F877-F1107 HydrophobicContact CD2-CE2 4.1Å; F877-F1107 HydrophobicContact CE1-CD2 4.27Å; F877-F1107 HydrophobicContact CE2-CE2 4.34Å; F877-F1107 AromaticContact CG-CD2 3.63Å; F877-F1107 HydrophobicContact CG-CD2 3.63Å; F877-F1107 HydrophobicContact CG-CE2 4.12Å
878	Q	80.9	Confident	71.3	Confident	106 Å²	106	66.8 Å²	66.8	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-42.3	174.7	-73.4	177.4	-8.6	0	0	112.4	K874 E875 A880 S881	K874-Q878 WeakPolarHBondContact O-CB 3.14Å; K874-Q878 VanDerWaalsContact O-CG 3.29Å; K874-Q878 WeakPolarHBondContact O-CG 3.3Å; K874-Q878 PolarHBondContact O-N 3.02Å; E875-Q878 PolarHBondContact O-N 3.37Å; Q878-A880 VanDerWaalsContact C-N 3.35Å; Q878-A880 PolarHBondContact O-N 2.76Å; Q878-S881 VanDerWaalsContact O-CB 3.25Å; Q878-S881 WeakPolarHBondContact O-CB 3.38Å; Q878-S881 PolarHBondContact O-N 3.5Å
879	K	74.1	Confident	69.8	Low	105 Å²	105	64.3 Å²	64.3	46%	0.457	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-41.3	174.5	-74.8	170.1	-178	169.8	0	111.8	E875 S876 S881 S882 L906	E875-K879 WeakPolarHBondContact O-CB 3.37Å; E875-K879 VanDerWaalsContact O-CG 3.3Å; E875-K879 WeakPolarHBondContact O-CG 3.47Å; E875-K879 PolarHBondContact O-N 3.48Å; S876-K879 PolarHBondContact O-N 3.26Å; K879-S881 PolarHBondContact O-N 3.36Å; K879-S882 WeakPolarHBondContact O-CB 3.29Å; K879-S882 PolarHBondContact O-N 3.24Å; K879-S882 PolarHBondContact O-OG 3.32Å; K879-L906 HydrophobicContact CB-CD1 3.72Å; K879-L906 HydrophobicContact CD-CD1 3.6Å; K879-L906 HydrophobicContact CG-CD1 4.31Å
880	A	68.3	Low	67.8	Low	33 Å²	33	69.1 Å²	69.1	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-26.4	176.4	0	0	0	0	0	113.3	S876 F877 Q878 S882 L906 F1104	S876-A880 WeakPolarHBondContact O-CB 3.42Å; S876-A880 PolarHBondContact O-N 3.41Å; F877-A880 PolarHBondContact O-N 2.88Å; Q878-A880 VanDerWaalsContact C-N 3.35Å; Q878-A880 PolarHBondContact O-N 2.76Å; A880-S882 PolarHBondContact O-N 3.24Å; A880-L906 HydrophobicContact CB-CD2 4.22Å; A880-F1104 HydrophobicContact CB-CD1 4.46Å; A880-F1104 HydrophobicContact CB-CG 4.49Å
881	S	65.5	Low	66.1	Low	20 Å²	20	70.8 Å²	70.8	14%	0.14	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21	175.8	-174	0	0	0	0	114	F877 Q878 K879 F883 R886 K1105	F877-S881 PolarHBondContact O-N 3.1Å; F877-S881 VanDerWaalsContact O-N 3.1Å; Q878-S881 VanDerWaalsContact O-CB 3.25Å; Q878-S881 WeakPolarHBondContact O-CB 3.38Å; Q878-S881 PolarHBondContact O-N 3.5Å; K879-S881 PolarHBondContact O-N 3.36Å; S881-F883 PolarHBondContact O-N 3.22Å; S881-F883 VanDerWaalsContact O-N 3.14Å; S881-R886 PolarHBondContact O-NH2 2.76Å; S881-K1105 VanDerWaalsContact OG-CE 3.3Å; S881-K1105 WeakPolarHBondContact OG-CE 3.35Å; S881-K1105 WeakPolarHBondContact OG-CG 3.17Å
882	S	63.3	Low	64.2	Low	56 Å²	56	75.2 Å²	75.2	39%	0.392	35%	0.354	S	S	.	.			trans	-60.3	116.8	-173.3	66.9	0	0	0	0	112.7	K879 A880 A885	K879-S882 WeakPolarHBondContact O-CB 3.29Å; K879-S882 PolarHBondContact O-N 3.24Å; K879-S882 PolarHBondContact O-OG 3.32Å; A880-S882 PolarHBondContact O-N 3.24Å; S882-A885 WeakPolarHBondContact OG-CB 3.43Å
883	F	48.3	Very low	62.6	Low	123 Å²	123	76.1 Å²	76.1	54%	0.539	37%	0.368	S	S	.	.	H	α-helix	trans	-67.3	-35.5	-178.4	177.8	-105.7	0	0	0	112.8	S881 A885 R886 I887	S881-F883 PolarHBondContact O-N 3.22Å; S881-F883 VanDerWaalsContact O-N 3.14Å; F883-A885 PolarHBondContact O-N 2.68Å; F883-R886 WeakPolarHBondContact O-CB 3.4Å; F883-R886 PolarHBondContact O-N 3.27Å; F883-R886 VanDerWaalsContact O-N 3.09Å; F883-I887 HydrophobicContact CD1-CD1 3.87Å; F883-I887 HydrophobicContact CE1-CD1 3.29Å; F883-I887 HydrophobicContact CE1-CG1 4.21Å; F883-I887 HydrophobicContact CZ-CD1 3.75Å; F883-I887 HydrophobicContact CZ-CG1 4.33Å; F883-I887 PolarHBondContact O-N 2.98Å
884	W	38.1	Very low	61	Low	175 Å²	175	83.2 Å²	83.2	66%	0.663	40%	0.4	S	S	*	.	H	α-helix	trans	-65.7	-37.5	-178.4	-73	106.2	0	0	0	113.5	R886 I887 F888	W884-R886 PolarHBondContact O-N 3.27Å; W884-I887 HydrophobicContact CE3-CD1 4.48Å; W884-I887 PolarHBondContact O-N 3.44Å; W884-F888 AromaticContact CE3-CE2 3.94Å; W884-F888 HydrophobicContact CE3-CE2 3.94Å; W884-F888 WeakPolarHBondContact O-CD2 3.4Å; W884-F888 PolarHBondContact O-N 3.3Å
885	A	53	Low	59.2	Low	34 Å²	34	82.2 Å²	82.2	28%	0.281	40%	0.402	S	S	.	.	H	α-helix	trans	-59.6	-29.6	173.8	0	0	0	0	0	111.8	S882 F883 D889	S882-A885 WeakPolarHBondContact OG-CB 3.43Å; F883-A885 PolarHBondContact O-N 2.68Å; A885-D889 WeakPolarHBondContact O-CB 3.24Å; A885-D889 PolarHBondContact O-N 2.86Å
886	R	54.1	Low	57.6	Low	99 Å²	99	78.2 Å²	78.2	37%	0.374	38%	0.384	S	S	.	.	H	α-helix	trans	-72.5	-42.7	179.7	-129.6	175.9	-72.1	153.1	-2.7	112.6	S881 F883 W884 D889 F898	S881-R886 PolarHBondContact O-NH2 2.76Å; F883-R886 WeakPolarHBondContact O-CB 3.4Å; F883-R886 PolarHBondContact O-N 3.27Å; F883-R886 VanDerWaalsContact O-N 3.09Å; W884-R886 PolarHBondContact O-N 3.27Å; R886-D889 PolarHBondContact O-N 3.09Å; R886-F898 HydrophobicContact CG-CD1 4.47Å; R886-F898 HydrophobicContact CG-CE1 3.83Å; R886-F898 HydrophobicContact CG-CZ 4.2Å; R886-F898 WeakPolarHBondContact O-CD1 3.26Å; R886-F898 WeakPolarHBondContact O-CE1 3.4Å
887	I	46.1	Very low	56.3	Low	70 Å²	70	81.4 Å²	81.4	36%	0.359	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-45.7	-179.7	-69.9	170.9	0	0	0	111.2	F883 W884 D889 L890	F883-I887 HydrophobicContact CD1-CD1 3.87Å; F883-I887 HydrophobicContact CE1-CD1 3.29Å; F883-I887 HydrophobicContact CE1-CG1 4.21Å; F883-I887 HydrophobicContact CZ-CD1 3.75Å; F883-I887 HydrophobicContact CZ-CG1 4.33Å; F883-I887 PolarHBondContact O-N 2.98Å; W884-I887 HydrophobicContact CE3-CD1 4.48Å; W884-I887 PolarHBondContact O-N 3.44Å; I887-D889 PolarHBondContact O-N 3.2Å; I887-L890 PolarHBondContact O-N 3.14Å
888	F	48.3	Very low	55.3	Low	168 Å²	168	82.5 Å²	82.5	74%	0.737	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.2	-178.6	-71.5	-65.5	0	0	0	113.9	W884	W884-F888 AromaticContact CE3-CE2 3.94Å; W884-F888 HydrophobicContact CE3-CE2 3.94Å; W884-F888 WeakPolarHBondContact O-CD2 3.4Å; W884-F888 PolarHBondContact O-N 3.3Å
889	D	54.4	Low	54.2	Low	4 Å²	4	79.2 Å²	79.2	2%	0.021	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	10	-178	-146.9	12.2	0	0	0	111.3	A885 R886 I887 F898 T899 G900 S901 S902	A885-D889 WeakPolarHBondContact O-CB 3.24Å; A885-D889 PolarHBondContact O-N 2.86Å; R886-D889 PolarHBondContact O-N 3.09Å; I887-D889 PolarHBondContact O-N 3.2Å; D889-F898 CarbonylContact O-C 3.37Å; D889-F898 WeakPolarHBondContact O-CA 3.25Å; D889-F898 WeakPolarHBondContact O-CB 3.42Å; D889-T899 VanDerWaalsContact O-CG2 3.31Å; D889-T899 WeakPolarHBondContact O-CG2 3.48Å; D889-T899 PolarHBondContact O-N 3.45Å; D889-T899 WeakPolarHBondContact OD1-CB 3.39Å; D889-T899 WeakPolarHBondContact OD1-CG2 3.06Å; D889-T899 PolarHBondContact OD1-OG1 3.31Å; D889-G900 PolarHBondContact OD1-N 2.86Å; D889-G900 VanDerWaalsContact OD2-C 3.29Å; D889-G900 WeakPolarHBondContact OD2-CA 3.19Å; D889-G900 PolarHBondContact OD2-N 3.42Å; D889-S901 WeakPolarHBondContact OD1-CB 3.33Å; D889-S901 PolarHBondContact OD1-N 3.01Å; D889-S901 PolarHBondContact OD1-OG 3.46Å; D889-S901 PolarHBondContact OD2-N 2.9Å; D889-S902 WeakPolarHBondContact OD2-CB 3.32Å; D889-S902 PolarHBondContact OD2-N 3.38Å; D889-S902 PolarHBondContact OD2-OG 3.12Å
890	L	47	Very low	53.4	Low	103 Å²	103	74.2 Å²	74.2	54%	0.539	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-69.6	132.5	172.4	-83.9	155	0	0	0	111.1	I887 M897 F898	I887-L890 PolarHBondContact O-N 3.14Å; L890-M897 WeakPolarHBondContact CA-O 3.35Å; L890-F898 HydrophobicContact CD2-CD1 4.35Å; L890-F898 HydrophobicContact CD2-CE1 3.9Å; L890-F898 HydrophobicContact CD2-CZ 4.31Å; L890-F898 HydrophobicContact CG-CD1 4.23Å; L890-F898 HydrophobicContact CG-CE1 3.9Å
891	T	52.6	Low	53.1	Low	60 Å²	60	74.7 Å²	74.7	37%	0.368	37%	0.372	S	S	.	.			trans	-119.3	170	175.4	-174.3	0	0	0	0	111.2	P893 A896 M897	T891-P893 WeakPolarHBondContact O-CD 3.47Å; T891-A896 HydrophobicContact CG2-CB 4.27Å; T891-A896 WeakPolarHBondContact CG2-O 3.07Å; T891-M897 PolarHBondContact N-O 2.86Å
892	Y	48.1	Very low	52.9	Low	185 Å²	185	76 Å²	76	73%	0.725	38%	0.38	S	S	*	.			trans	-60.4	121.3	170.7	-177.9	-105.6	0	0	0	110	H894	Y892-H894 HydrophobicContact CD1-CB 3.86Å; Y892-H894 HydrophobicContact CE1-CB 3.94Å; Y892-H894 PolarHBondContact O-N 3.28Å
893	P	52.5	Low	53	Low	91 Å²	91	75 Å²	75	59%	0.591	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	60.8	-169.4	33.4	-36.9	0	0	0	112.5	T891 A896	T891-P893 WeakPolarHBondContact O-CD 3.47Å; P893-A896 WeakPolarHBondContact CA-O 3.34Å
894	H	51.9	Low	53.9	Low	148 Å²	148	69.6 Å²	69.6	69%	0.685	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-40.8	172	-166.7	50.6	0	0	0	111.7	Y892	Y892-H894 HydrophobicContact CD1-CB 3.86Å; Y892-H894 HydrophobicContact CE1-CB 3.94Å; Y892-H894 PolarHBondContact O-N 3.28Å
895	S	50.5	Low	55.5	Low	48 Å²	48	70 Å²	70	34%	0.336	35%	0.349	S	S	.	.	S	Bend	trans	-142.7	3.5	175.1	75.5	0	0	0	0	114	G986	S895-G986 WeakPolarHBondContact O-CA 3.05Å
896	A	52.8	Low	56.4	Low	6 Å²	6	69.3 Å²	69.3	5%	0.05	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-161.2	133.2	-173.3	0	0	0	0	0	109.8	T891 P893 G986 P989	T891-A896 HydrophobicContact CG2-CB 4.27Å; T891-A896 WeakPolarHBondContact CG2-O 3.07Å; P893-A896 WeakPolarHBondContact CA-O 3.34Å; A896-G986 CarbonylContact C-O 3.43Å; A896-G986 VanDerWaalsContact CA-O 3.28Å; A896-G986 WeakPolarHBondContact CA-O 3.07Å; A896-P989 HydrophobicContact CB-CG 4.3Å
897	M	52.9	Low	57.3	Low	71 Å²	71	64.7 Å²	64.7	35%	0.35	32%	0.323	S	S	.	.	S	Bend	trans	-77.1	-29.1	171.2	-68	-168.4	-178.5	0	0	112.8	L890 T891 L956 G986 F987	L890-M897 WeakPolarHBondContact CA-O 3.35Å; T891-M897 PolarHBondContact N-O 2.86Å; M897-L956 HydrophobicContact CE-CD1 4.39Å; M897-G986 PolarHBondContact N-O 2.9Å; M897-F987 PolarHBondContact N-O 3.25Å; M897-F987 VanDerWaalsContact N-O 3.13Å
898	F	57.7	Low	58.6	Low	27 Å²	27	64.6 Å²	64.6	12%	0.118	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-125.8	155.4	-176.7	-56.6	-85.2	0	0	0	113.2	R886 D889 L890 F987	R886-F898 HydrophobicContact CG-CD1 4.47Å; R886-F898 HydrophobicContact CG-CE1 3.83Å; R886-F898 HydrophobicContact CG-CZ 4.2Å; R886-F898 WeakPolarHBondContact O-CD1 3.26Å; R886-F898 WeakPolarHBondContact O-CE1 3.4Å; D889-F898 CarbonylContact O-C 3.37Å; D889-F898 WeakPolarHBondContact O-CA 3.25Å; D889-F898 WeakPolarHBondContact O-CB 3.42Å; L890-F898 HydrophobicContact CD2-CD1 4.35Å; L890-F898 HydrophobicContact CD2-CE1 3.9Å; L890-F898 HydrophobicContact CD2-CZ 4.31Å; L890-F898 HydrophobicContact CG-CD1 4.23Å; L890-F898 HydrophobicContact CG-CE1 3.9Å; F898-F987 AromaticContact CD2-CD1 3.55Å; F898-F987 HydrophobicContact CD2-CD1 3.55Å; F898-F987 AromaticContact CD2-CE1 3.35Å; F898-F987 HydrophobicContact CD2-CE1 3.35Å; F898-F987 HydrophobicContact CD2-CE2 4.47Å; F898-F987 HydrophobicContact CD2-CG 4.22Å; F898-F987 AromaticContact CD2-CZ 3.87Å; F898-F987 HydrophobicContact CD2-CZ 3.87Å; F898-F987 AromaticContact CE2-CD1 3.91Å; F898-F987 HydrophobicContact CE2-CD1 3.91Å; F898-F987 HydrophobicContact CE2-CD2 4.41Å; F898-F987 AromaticContact CE2-CE1 3.31Å; F898-F987 HydrophobicContact CE2-CE1 3.31Å; F898-F987 AromaticContact CE2-CE2 3.88Å; F898-F987 HydrophobicContact CE2-CE2 3.88Å; F898-F987 HydrophobicContact CE2-CG 4.43Å; F898-F987 AromaticContact CE2-CZ 3.3Å; F898-F987 HydrophobicContact CE2-CZ 3.3Å; F898-F987 HydrophobicContact CG-CE1 4.48Å; F898-F987 HydrophobicContact CZ-CE1 4.39Å; F898-F987 HydrophobicContact CZ-CZ 4.25Å; F898-F987 PolarHBondContact N-O 2.94Å
899	T	58.9	Low	60.1	Low	37 Å²	37	60.4 Å²	60.4	23%	0.227	31%	0.312	C	S	.	.			trans	-81.6	-24.7	174.5	109.4	0	0	0	0	113	D889 S901	D889-T899 VanDerWaalsContact O-CG2 3.31Å; D889-T899 WeakPolarHBondContact O-CG2 3.48Å; D889-T899 PolarHBondContact O-N 3.45Å; D889-T899 WeakPolarHBondContact OD1-CB 3.39Å; D889-T899 WeakPolarHBondContact OD1-CG2 3.06Å; D889-T899 PolarHBondContact OD1-OG1 3.31Å; T899-S901 VanDerWaalsContact C-N 3.3Å; T899-S901 PolarHBondContact O-N 3.41Å; T899-S901 WeakPolarHBondContact OG1-CB 3.38Å; T899-S901 PolarHBondContact OG1-N 2.84Å
900	G	56.6	Low	61.4	Low	1 Å²	1	61.1 Å²	61.1	1%	0.01	32%	0.317	C	S	.	.			trans	75.4	12.1	-179.4	0	0	0	0	0	114.9	D889 S902 L903 N904 M982	D889-G900 PolarHBondContact OD1-N 2.86Å; D889-G900 VanDerWaalsContact OD2-C 3.29Å; D889-G900 WeakPolarHBondContact OD2-CA 3.19Å; D889-G900 PolarHBondContact OD2-N 3.42Å; G900-S902 VanDerWaalsContact C-N 3.27Å; G900-S902 PolarHBondContact O-N 3.13Å; G900-L903 PolarHBondContact O-N 3.44Å; G900-N904 PolarHBondContact O-N 3.32Å; G900-M982 WeakPolarHBondContact CA-SD 3.4Å
901	S	61.7	Low	63	Low	43 Å²	43	56.2 Å²	56.2	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-33.8	-178.9	67.8	0	0	0	0	112.8	D889 T899 R905	D889-S901 WeakPolarHBondContact OD1-CB 3.33Å; D889-S901 PolarHBondContact OD1-N 3.01Å; D889-S901 PolarHBondContact OD1-OG 3.46Å; D889-S901 PolarHBondContact OD2-N 2.9Å; T899-S901 VanDerWaalsContact C-N 3.3Å; T899-S901 PolarHBondContact O-N 3.41Å; T899-S901 WeakPolarHBondContact OG1-CB 3.38Å; T899-S901 PolarHBondContact OG1-N 2.84Å; S901-R905 WeakPolarHBondContact O-CG 3.33Å; S901-R905 PolarHBondContact O-N 2.8Å; S901-R905 VanDerWaalsContact O-N 3.17Å
902	S	63	Low	64.2	Low	46 Å²	46	59.4 Å²	59.4	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-65.1	-43.3	177.6	56.3	0	0	0	0	112.1	D889 G900 R905 L906	D889-S902 WeakPolarHBondContact OD2-CB 3.32Å; D889-S902 PolarHBondContact OD2-N 3.38Å; D889-S902 PolarHBondContact OD2-OG 3.12Å; G900-S902 VanDerWaalsContact C-N 3.27Å; G900-S902 PolarHBondContact O-N 3.13Å; S902-R905 PolarHBondContact O-N 3.44Å; S902-L906 PolarHBondContact O-N 3.37Å; S902-L906 VanDerWaalsContact O-N 3.09Å
903	L	64.6	Low	65.5	Low	35 Å²	35	52.6 Å²	52.6	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-70.7	-36.7	179.7	-169.8	65.7	0	0	0	112.1	G900 L906 L907 R948 M982	G900-L903 PolarHBondContact O-N 3.44Å; L903-L906 HydrophobicContact CD1-CD2 4.19Å; L903-L906 WeakPolarHBondContact O-CB 3.24Å; L903-L906 PolarHBondContact O-N 3.11Å; L903-L907 HydrophobicContact CG-CD1 4.24Å; L903-L907 WeakPolarHBondContact O-CG 3.13Å; L903-L907 PolarHBondContact O-N 3.49Å; L903-R948 HydrophobicContact CD2-CG 4.06Å; L903-M982 HydrophobicContact CB-SD 3.81Å; L903-M982 HydrophobicContact CD2-CE 4.44Å; L903-M982 HydrophobicContact CD2-CG 3.7Å; L903-M982 HydrophobicContact CD2-SD 3.47Å; L903-M982 WeakPolarHBondContact CD2-SD 3.47Å; L903-M982 HydrophobicContact CG-SD 4.25Å
904	N	67.4	Low	67	Low	10 Å²	10	49.7 Å²	49.7	5%	0.053	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-52.4	171.9	-78.3	-25.8	0	0	0	111.8	G900 L906 L907 E908 R948 C978	G900-N904 PolarHBondContact O-N 3.32Å; N904-L906 PolarHBondContact O-N 3.11Å; N904-L907 PolarHBondContact O-N 3.36Å; N904-L907 VanDerWaalsContact O-N 3.14Å; N904-E908 VanDerWaalsContact O-CB 3.3Å; N904-E908 WeakPolarHBondContact O-CB 3.32Å; N904-E908 WeakPolarHBondContact O-CG 2.96Å; N904-E908 PolarHBondContact O-N 3.12Å; N904-R948 PolarHBondContact ND2-NH1 3.05Å; N904-R948 WeakPolarHBondContact OD1-CD 3.04Å; N904-R948 PolarHBondContact OD1-NE 3.22Å; N904-R948 PolarHBondContact OD1-NH1 2.84Å; N904-R948 PolarHBondContact OD1-NH2 2.9Å; N904-C978 VanDerWaalsContact ND2-C 3.28Å; N904-C978 PolarHBondContact ND2-O 2.96Å; N904-C978 PolarHBondContact OD1-O 3.42Å
905	R	72	Confident	68.6	Low	184 Å²	184	44.9 Å²	44.9	69%	0.694	25%	0.249	S	C	*	.	H	α-helix	trans	-58.8	-36.4	178.9	-71.3	175.2	-178.2	178.1	2.7	111.3	S901 S902 S909	S901-R905 WeakPolarHBondContact O-CG 3.33Å; S901-R905 PolarHBondContact O-N 2.8Å; S901-R905 VanDerWaalsContact O-N 3.17Å; S902-R905 PolarHBondContact O-N 3.44Å; R905-S909 WeakPolarHBondContact O-CB 3.45Å; R905-S909 PolarHBondContact O-N 3.12Å; R905-S909 PolarHBondContact O-OG 2.8Å
906	L	70.6	Confident	70.1	Confident	20 Å²	20	42.9 Å²	42.9	11%	0.105	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-54	174.4	-177.3	64.6	0	0	0	111.3	K879 A880 S902 L903 N904 S909 V910	K879-L906 HydrophobicContact CB-CD1 3.72Å; K879-L906 HydrophobicContact CD-CD1 3.6Å; K879-L906 HydrophobicContact CG-CD1 4.31Å; A880-L906 HydrophobicContact CB-CD2 4.22Å; S902-L906 PolarHBondContact O-N 3.37Å; S902-L906 VanDerWaalsContact O-N 3.09Å; L903-L906 HydrophobicContact CD1-CD2 4.19Å; L903-L906 WeakPolarHBondContact O-CB 3.24Å; L903-L906 PolarHBondContact O-N 3.11Å; N904-L906 PolarHBondContact O-N 3.11Å; L906-S909 PolarHBondContact O-N 3.07Å; L906-S909 PolarHBondContact O-OG 2.98Å; L906-V910 HydrophobicContact CD1-CG2 4.47Å; L906-V910 VanDerWaalsContact O-CG2 3.24Å; L906-V910 WeakPolarHBondContact O-CG2 3.49Å; L906-V910 PolarHBondContact O-N 2.83Å; L906-V910 VanDerWaalsContact O-N 3.08Å
907	L	73.7	Confident	71.7	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-40.9	-176.8	-67.1	175.2	0	0	0	112.6	F855 L903 N904 S909 V910 F911 W944 R948 M951	F855-L907 HydrophobicContact CD2-CD2 3.39Å; F855-L907 HydrophobicContact CE2-CD2 3.56Å; F855-L907 HydrophobicContact CG-CD2 4.45Å; L903-L907 HydrophobicContact CG-CD1 4.24Å; L903-L907 WeakPolarHBondContact O-CG 3.13Å; L903-L907 PolarHBondContact O-N 3.49Å; N904-L907 PolarHBondContact O-N 3.36Å; N904-L907 VanDerWaalsContact O-N 3.14Å; L907-S909 VanDerWaalsContact C-N 3.32Å; L907-S909 PolarHBondContact O-N 3.46Å; L907-V910 PolarHBondContact O-N 3.45Å; L907-V910 VanDerWaalsContact O-N 3.17Å; L907-F911 HydrophobicContact CD2-CD2 4.37Å; L907-F911 HydrophobicContact CD2-CE2 4.03Å; L907-F911 PolarHBondContact O-N 3.31Å; L907-W944 HydrophobicContact CB-CB 4.2Å; L907-R948 HydrophobicContact CD1-CB 3.4Å; L907-R948 VanDerWaalsContact CD1-CB 3.4Å; L907-R948 HydrophobicContact CD1-CG 3.49Å; L907-R948 VanDerWaalsContact CD1-CG 3.49Å; L907-M951 HydrophobicContact CD1-SD 4.4Å; L907-M951 HydrophobicContact CD2-SD 4.48Å
908	E	74	Confident	73.4	Confident	68 Å²	68	40.4 Å²	40.4	32%	0.318	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-39.4	171.2	-72.3	175.8	-179	0	0	110.8	N904 V910 D912 W944	N904-E908 VanDerWaalsContact O-CB 3.3Å; N904-E908 WeakPolarHBondContact O-CB 3.32Å; N904-E908 WeakPolarHBondContact O-CG 2.96Å; N904-E908 PolarHBondContact O-N 3.12Å; E908-V910 PolarHBondContact O-N 3.44Å; E908-D912 WeakPolarHBondContact O-CA 3.49Å; E908-D912 PolarHBondContact O-N 3.39Å; E908-W944 HydrophobicContact CG-CD2 3.72Å; E908-W944 HydrophobicContact CG-CE3 3.91Å; E908-W944 HydrophobicContact CG-CG 4.25Å; E908-W944 HydrophobicContact CG-CH2 4.37Å; E908-W944 HydrophobicContact CG-CZ2 4.14Å; E908-W944 HydrophobicContact CG-CZ3 4.24Å; E908-W944 WeakPolarHBondContact OE1-CH2 3.48Å; E908-W944 WeakPolarHBondContact OE1-CZ2 3.35Å
909	S	80.3	Confident	74.9	Confident	80 Å²	80	39.5 Å²	39.5	56%	0.559	22%	0.218	S	C	*	.	H	α-helix	trans	-67.7	-23.6	176.2	75.2	0	0	0	0	113.8	R905 L906 L907	R905-S909 WeakPolarHBondContact O-CB 3.45Å; R905-S909 PolarHBondContact O-N 3.12Å; R905-S909 PolarHBondContact O-OG 2.8Å; L906-S909 PolarHBondContact O-N 3.07Å; L906-S909 PolarHBondContact O-OG 2.98Å; L907-S909 VanDerWaalsContact C-N 3.32Å; L907-S909 PolarHBondContact O-N 3.46Å
910	V	80.3	Confident	76.4	Confident	19 Å²	19	38.1 Å²	38.1	12%	0.115	21%	0.209	C	C	.	.	H	α-helix	trans	-92.4	-46.2	-175.6	170.6	0	0	0	0	111.7	F855 L859 S876 L906 L907 E908	F855-V910 HydrophobicContact CE2-CG1 4.02Å; F855-V910 HydrophobicContact CZ-CG1 4.34Å; L859-V910 HydrophobicContact CD2-CG1 3.47Å; L859-V910 VanDerWaalsContact CD2-CG1 3.47Å; L859-V910 HydrophobicContact CG-CG1 4.36Å; S876-V910 WeakPolarHBondContact OG-CG2 2.91Å; L906-V910 HydrophobicContact CD1-CG2 4.47Å; L906-V910 VanDerWaalsContact O-CG2 3.24Å; L906-V910 WeakPolarHBondContact O-CG2 3.49Å; L906-V910 PolarHBondContact O-N 2.83Å; L906-V910 VanDerWaalsContact O-N 3.08Å; L907-V910 PolarHBondContact O-N 3.45Å; L907-V910 VanDerWaalsContact O-N 3.17Å; E908-V910 PolarHBondContact O-N 3.44Å
911	F	81	Confident	78	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-103.8	-11.3	-174.9	-64.8	-53.2	0	0	0	113.8	F855 L859 M862 L907 G913 I914 L943 W944 C947	F855-F911 AromaticContact CD2-CE2 3.56Å; F855-F911 HydrophobicContact CD2-CE2 3.56Å; F855-F911 AromaticContact CD2-CZ 3.63Å; F855-F911 HydrophobicContact CD2-CZ 3.63Å; F855-F911 AromaticContact CE2-CE2 3.86Å; F855-F911 HydrophobicContact CE2-CE2 3.86Å; F855-F911 AromaticContact CE2-CZ 3.89Å; F855-F911 HydrophobicContact CE2-CZ 3.89Å; L859-F911 HydrophobicContact CD2-CD1 4.48Å; L859-F911 HydrophobicContact CD2-CE1 3.8Å; L859-F911 HydrophobicContact CD2-CZ 4.39Å; L859-F911 HydrophobicContact CG-CE1 3.89Å; L859-F911 HydrophobicContact CG-CZ 4.08Å; M862-F911 HydrophobicContact SD-CD1 4.44Å; L907-F911 HydrophobicContact CD2-CD2 4.37Å; L907-F911 HydrophobicContact CD2-CE2 4.03Å; L907-F911 PolarHBondContact O-N 3.31Å; F911-G913 PolarHBondContact O-N 3.21Å; F911-I914 WeakPolarHBondContact O-CB 3.31Å; F911-I914 WeakPolarHBondContact O-CD1 3.24Å; F911-I914 VanDerWaalsContact O-CG1 3.24Å; F911-I914 WeakPolarHBondContact O-CG1 3.43Å; F911-I914 PolarHBondContact O-N 3.21Å; F911-I914 VanDerWaalsContact O-N 3.14Å; F911-L943 HydrophobicContact CD1-CD2 3.51Å; F911-L943 HydrophobicContact CD1-CG 4.23Å; F911-L943 HydrophobicContact CD2-CG 4.45Å; F911-L943 HydrophobicContact CE1-CD2 3.72Å; F911-L943 HydrophobicContact CE1-CG 4.39Å; F911-L943 HydrophobicContact CG-CD2 3.98Å; F911-L943 HydrophobicContact CG-CG 4.26Å; F911-L943 HydrophobicContact CZ-CD2 4.33Å; F911-W944 HydrophobicContact CB-CB 3.86Å; F911-W944 HydrophobicContact CD2-CB 3.88Å; F911-W944 HydrophobicContact CG-CB 4.36Å; F911-C947 HydrophobicContact CE2-CB 4.12Å
912	D	77.9	Confident	79.4	Confident	126 Å²	126	37.9 Å²	37.9	67%	0.674	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	-130.4	179.4	-169	31.2	0	0	0	112.1	E908	E908-D912 WeakPolarHBondContact O-CA 3.49Å; E908-D912 PolarHBondContact O-N 3.39Å
913	G	76.2	Confident	80.7	Confident	43 Å²	43	36.3 Å²	36.3	44%	0.443	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16.3	177.8	0	0	0	0	0	115.5	F911	F911-G913 PolarHBondContact O-N 3.21Å
914	I	84.2	Confident	81.8	Confident	30 Å²	30	34.7 Å²	34.7	15%	0.154	19%	0.185	C	C	.	.			trans	-66.3	134.8	-173	-64.6	167.6	0	0	0	111.4	N751 M862 F911 L919 L943	N751-I914 WeakPolarHBondContact ND2-CD1 3.37Å; M862-I914 HydrophobicContact CG-CD1 3.9Å; M862-I914 HydrophobicContact SD-CD1 3.28Å; M862-I914 WeakPolarHBondContact SD-CD1 3.37Å; F911-I914 WeakPolarHBondContact O-CB 3.31Å; F911-I914 WeakPolarHBondContact O-CD1 3.24Å; F911-I914 VanDerWaalsContact O-CG1 3.24Å; F911-I914 WeakPolarHBondContact O-CG1 3.43Å; F911-I914 PolarHBondContact O-N 3.21Å; F911-I914 VanDerWaalsContact O-N 3.14Å; I914-L919 HydrophobicContact CG2-CD2 4.22Å; I914-L943 HydrophobicContact CG2-CD2 4.49Å; I914-L943 WeakPolarHBondContact O-CB 3.3Å; I914-L943 PolarHBondContact O-N 3.25Å
915	Q	84.4	Confident	82.4	Confident	46 Å²	46	34.2 Å²	34.2	22%	0.215	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-90.1	152.3	173	-52.4	-70.1	-2.2	0	0	110.3	E917 D918 G941	Q915-E917 WeakPolarHBondContact CB-OE2 3.14Å; Q915-E917 PolarHBondContact O-N 3.27Å; Q915-D918 HydrophobicContact CB-CB 4.5Å; Q915-D918 WeakPolarHBondContact CB-OD2 3.32Å; Q915-D918 PolarHBondContact O-N 2.94Å; Q915-G941 CarbonylContact C-O 3.57Å; Q915-G941 WeakPolarHBondContact CA-O 3.34Å; Q915-G941 VanDerWaalsContact OE1-CA 3.23Å; Q915-G941 PolarHBondContact OE1-O 2.77Å
916	I	82.4	Confident	82.6	Confident	6 Å²	6	25.5 Å²	25.5	3%	0.031	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60	-38.5	176.5	-70.3	166.8	0	0	0	110.5	D918 L919 Y923 H938 G941 L943 Y946	I916-D918 PolarHBondContact O-N 3.1Å; I916-L919 WeakPolarHBondContact O-CB 3.42Å; I916-L919 WeakPolarHBondContact O-CG 3.47Å; I916-L919 PolarHBondContact O-N 3.44Å; I916-Y923 HydrophobicContact CG1-CD1 4.38Å; I916-Y923 HydrophobicContact CG2-CD1 3.99Å; I916-Y923 WeakPolarHBondContact CG2-O 3.33Å; I916-H938 HydrophobicContact CD1-CB 4.3Å; I916-G941 WeakPolarHBondContact CG1-O 3.43Å; I916-G941 PolarHBondContact N-O 3.4Å; I916-L943 HydrophobicContact CG1-CB 4.24Å; I916-L943 HydrophobicContact CG1-CD1 3.89Å; I916-Y946 HydrophobicContact CD1-CD2 3.62Å; I916-Y946 HydrophobicContact CD1-CE2 4.36Å; I916-Y946 HydrophobicContact CD1-CG 4.28Å
917	E	86.1	Confident	82.5	Confident	8 Å²	8	24.5 Å²	24.5	4%	0.037	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-65.3	-25.9	-179.3	-54.4	94.9	138.1	0	0	112.8	T755 L759 H768 H770 Q915 L919 S940 G941	T755-E917 WeakPolarHBondContact OG1-CB 3.42Å; L759-E917 HydrophobicContact CD1-CB 4.31Å; L759-E917 HydrophobicContact CD1-CG 4.22Å; H768-E917 PolarHBondContact NE2-O 2.91Å; H770-E917 PolarHBondContact NE2-O 3.49Å; Q915-E917 WeakPolarHBondContact CB-OE2 3.14Å; Q915-E917 PolarHBondContact O-N 3.27Å; E917-L919 VanDerWaalsContact C-N 3.26Å; E917-L919 PolarHBondContact O-N 3.32Å; E917-S940 WeakPolarHBondContact OE1-CA 3.26Å; E917-S940 WeakPolarHBondContact OE1-CB 3.41Å; E917-S940 WeakPolarHBondContact OE2-CA 3.4Å; E917-G941 PolarHBondContact OE1-N 3.22Å; E917-G941 PolarHBondContact OE2-N 3.2Å
918	D	88.9	Confident	82.2	Confident	17 Å²	17	25 Å²	25	9%	0.091	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-82	2.5	-179.8	-69.6	-40.1	0	0	0	112.9	P752 T755 Q915 I916	P752-D918 HydrophobicContact CB-CB 4.4Å; P752-D918 WeakPolarHBondContact CB-O 3.21Å; P752-D918 VanDerWaalsContact CD-O 3.24Å; P752-D918 WeakPolarHBondContact CD-O 3.03Å; P752-D918 VanDerWaalsContact CG-O 3.32Å; P752-D918 WeakPolarHBondContact CG-O 3.47Å; T755-D918 VanDerWaalsContact CB-OD1 3.26Å; T755-D918 WeakPolarHBondContact CB-OD1 3.49Å; T755-D918 WeakPolarHBondContact CG2-OD1 3.4Å; T755-D918 PolarHBondContact N-OD1 3.28Å; T755-D918 PolarHBondContact OG1-OD1 2.94Å; Q915-D918 HydrophobicContact CB-CB 4.5Å; Q915-D918 WeakPolarHBondContact CB-OD2 3.32Å; Q915-D918 PolarHBondContact O-N 2.94Å; I916-D918 PolarHBondContact O-N 3.1Å
919	L	89.8	Confident	81.7	Confident	8 Å²	8	21.8 Å²	21.8	4%	0.042	13%	0.132	C	C	.	.			trans	-78.2	137.7	-179	-67.6	173.1	0	0	0	112.1	H770 C861 M862 I914 I916 E917 I921 Y923 L943	H770-L919 PolarHBondContact CD2-O 3.45Å; C861-L919 HydrophobicContact CB-CB 4.16Å; C861-L919 HydrophobicContact CB-CD1 4.04Å; C861-L919 HydrophobicContact CB-CD2 4.3Å; C861-L919 HydrophobicContact CB-CG 4.42Å; M862-L919 HydrophobicContact CB-CD2 3.82Å; M862-L919 HydrophobicContact CG-CD2 4.38Å; I914-L919 HydrophobicContact CG2-CD2 4.22Å; I916-L919 WeakPolarHBondContact O-CB 3.42Å; I916-L919 WeakPolarHBondContact O-CG 3.47Å; I916-L919 PolarHBondContact O-N 3.44Å; E917-L919 VanDerWaalsContact C-N 3.26Å; E917-L919 PolarHBondContact O-N 3.32Å; L919-I921 VanDerWaalsContact C-N 3.27Å; L919-I921 PolarHBondContact O-N 3.09Å; L919-Y923 HydrophobicContact CD1-CD1 3.93Å; L919-Y923 HydrophobicContact CD1-CG 3.82Å; L919-L943 HydrophobicContact CD1-CD1 4.14Å; L919-L943 HydrophobicContact CD1-CD2 4.21Å; L919-L943 HydrophobicContact CD2-CD2 4.06Å
920	W	89.3	Confident	80.7	Confident	9 Å²	9	20.2 Å²	20.2	3%	0.034	12%	0.117	C	C	.	.	S	Bend	trans	-60.7	-36.7	-179	-75.4	112.4	0	0	0	113.3	W745 K750 P752 H770 R772 R806 C861	W745-W920 HydrophobicContact CB-CH2 3.56Å; W745-W920 HydrophobicContact CB-CZ3 3.91Å; W745-W920 AromaticContact CD1-CH2 3.98Å; W745-W920 AromaticContact CD1-CZ3 3.64Å; W745-W920 AromaticContact CG-CH2 3.78Å; W745-W920 HydrophobicContact CG-CH2 3.78Å; W745-W920 AromaticContact CG-CZ3 3.91Å; W745-W920 HydrophobicContact CG-CZ3 3.91Å; K750-W920 PolarHBondContact O-NE1 3.45Å; P752-W920 VanDerWaalsContact CD-CE2 3.49Å; P752-W920 HydrophobicContact CG-CD2 3.97Å; P752-W920 HydrophobicContact CG-CE3 3.97Å; P752-W920 HydrophobicContact CG-CH2 4.11Å; P752-W920 HydrophobicContact CG-CZ2 4.13Å; P752-W920 HydrophobicContact CG-CZ3 4.03Å; H770-W920 HydrophobicContact CB-CE3 3.72Å; H770-W920 HydrophobicContact CB-CZ3 3.95Å; R772-W920 HydrophobicContact CG-CE3 4Å; R772-W920 HydrophobicContact CG-CH2 3.44Å; R772-W920 VanDerWaalsContact CG-CH2 3.44Å; R772-W920 HydrophobicContact CG-CZ2 4.06Å; R772-W920 HydrophobicContact CG-CZ3 3.41Å; R772-W920 VanDerWaalsContact CG-CZ3 3.41Å; R806-W920 PolarHBondContact NH1-O 3.34Å; R806-W920 PolarHBondContact NH2-O 3.33Å; C861-W920 PolarHBondContact O-N 3.14Å
921	I	91.2	Very high	79.7	Confident	2 Å²	2	23 Å²	23	1%	0.01	13%	0.134	C	C	.	.	S	Bend	trans	-105	130.8	176.5	-53.8	172.9	0	0	0	107.4	R806 D845 V847 Y860 C861 L919 Y923	R806-I921 VanDerWaalsContact NH1-CG1 3.35Å; D845-I921 WeakPolarHBondContact O-CG2 3.49Å; V847-I921 HydrophobicContact CG2-CG2 4.26Å; Y860-I921 HydrophobicContact CD1-CD1 4.19Å; Y860-I921 HydrophobicContact CE1-CD1 3.63Å; C861-I921 HydrophobicContact CB-CB 4.11Å; L919-I921 VanDerWaalsContact C-N 3.27Å; L919-I921 PolarHBondContact O-N 3.09Å; I921-Y923 PolarHBondContact O-N 3.18Å
922	P	90.8	Very high	78.5	Confident	37 Å²	37	25 Å²	25	24%	0.24	15%	0.148	C	C	.	.			trans	-46.7	129.6	170.4	-29.2	34.8	0	0	0	111.2	Y769 D845 I846 V847	Y769-P922 HydrophobicContact CD1-CG 4.33Å; Y769-P922 HydrophobicContact CE1-CG 4.22Å; D845-P922 WeakPolarHBondContact O-CD 2.9Å; I846-P922 WeakPolarHBondContact CA-O 3.18Å; I846-P922 HydrophobicContact CB-CB 4.26Å; I846-P922 HydrophobicContact CD1-CB 4.15Å; I846-P922 HydrophobicContact CG1-CB 4.04Å; I846-P922 WeakPolarHBondContact CG1-O 3.11Å; V847-P922 PolarHBondContact N-O 3.47Å
923	Y	90	Very high	77.7	Confident	12 Å²	12	24 Å²	24	5%	0.047	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141	-173.9	173.5	-90.8	0	0	0	109.8	V847 A854 G858 C861 I916 L919 I921 N925 L943	V847-Y923 HydrophobicContact CB-CD2 4.32Å; V847-Y923 HydrophobicContact CG1-CD2 4.36Å; V847-Y923 VanDerWaalsContact O-CA 3.3Å; V847-Y923 WeakPolarHBondContact O-CA 3.18Å; A854-Y923 WeakPolarHBondContact CA-OH 3.29Å; A854-Y923 VanDerWaalsContact CB-OH 3.29Å; A854-Y923 WeakPolarHBondContact CB-OH 3.18Å; A854-Y923 PolarHBondContact O-OH 2.93Å; G858-Y923 VanDerWaalsContact N-CE2 3.33Å; C861-Y923 HydrophobicContact CB-CD2 4.49Å; I916-Y923 HydrophobicContact CG1-CD1 4.38Å; I916-Y923 HydrophobicContact CG2-CD1 3.99Å; I916-Y923 WeakPolarHBondContact CG2-O 3.33Å; L919-Y923 HydrophobicContact CD1-CD1 3.93Å; L919-Y923 HydrophobicContact CD1-CG 3.82Å; I921-Y923 PolarHBondContact O-N 3.18Å; Y923-N925 HydrophobicContact CE1-CB 3.88Å; Y923-L943 HydrophobicContact CD1-CD1 4.09Å; Y923-L943 HydrophobicContact CE1-CD1 3.64Å
924	F	87	Confident	77.2	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.2	165.5	74.2	-89.4	0	0	0	110.8	I846 V847 G848 G849 I926 V937 H938 P1010 V1013 M1014 L1017	I846-F924 HydrophobicContact CD1-CD1 4.41Å; V847-F924 PolarHBondContact O-N 3.43Å; G848-F924 WeakPolarHBondContact CA-O 3.25Å; G849-F924 PolarHBondContact N-O 3.5Å; G849-F924 VanDerWaalsContact N-O 3.11Å; F924-I926 HydrophobicContact CD2-CG1 4.16Å; F924-I926 HydrophobicContact CE2-CD1 4.15Å; F924-I926 HydrophobicContact CE2-CG1 4.06Å; F924-V937 HydrophobicContact CB-CG1 4Å; F924-V937 HydrophobicContact CD2-CG1 3.77Å; F924-V937 HydrophobicContact CG-CG1 4.11Å; F924-H938 VanDerWaalsContact CA-O 3.32Å; F924-H938 WeakPolarHBondContact CA-O 3.27Å; F924-P1010 HydrophobicContact CE2-CB 4.34Å; F924-P1010 HydrophobicContact CE2-CG 4.07Å; F924-P1010 HydrophobicContact CZ-CG 4.42Å; F924-V1013 HydrophobicContact CD2-CG1 4.36Å; F924-V1013 HydrophobicContact CE2-CB 4.22Å; F924-V1013 HydrophobicContact CE2-CG1 3.83Å; F924-V1013 HydrophobicContact CZ-CB 4.32Å; F924-V1013 HydrophobicContact CZ-CG1 4.09Å; F924-M1014 HydrophobicContact CE1-CB 4.34Å; F924-M1014 HydrophobicContact CE1-CE 3.98Å; F924-M1014 HydrophobicContact CE1-SD 3.7Å; F924-M1014 HydrophobicContact CZ-CB 4.23Å; F924-M1014 HydrophobicContact CZ-SD 4.44Å; F924-L1017 HydrophobicContact CD1-CD1 3.85Å; F924-L1017 HydrophobicContact CE1-CD1 4.04Å
925	N	80	Confident	76.6	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.2	171.1	71.4	-75.8	0	0	0	110.8	G849 A854 Y923 H938 Y946	G849-N925 VanDerWaalsContact O-CA 3.31Å; G849-N925 WeakPolarHBondContact O-CA 3.36Å; G849-N925 WeakPolarHBondContact O-CB 3.29Å; A854-N925 HydrophobicContact CB-CB 3.97Å; Y923-N925 HydrophobicContact CE1-CB 3.88Å; N925-H938 PolarHBondContact N-O 3.11Å; N925-H938 PolarHBondContact O-N 3.37Å; N925-H938 WeakPolarHBondContact OD1-CB 3.39Å; N925-Y946 WeakPolarHBondContact ND2-CB 3.37Å; N925-Y946 PolarHBondContact ND2-O 3.32Å; N925-Y946 VanDerWaalsContact ND2-O 3.1Å
926	I	77	Confident	75.9	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.1	-176	-61.2	-169.9	0	0	0	110.8	G849 V850 F924 M935 R936 V937 S950 G1003 P1010 V1013	G849-I926 PolarHBondContact O-N 2.62Å; V850-I926 HydrophobicContact CG2-CB 4.33Å; F924-I926 HydrophobicContact CD2-CG1 4.16Å; F924-I926 HydrophobicContact CE2-CD1 4.15Å; F924-I926 HydrophobicContact CE2-CG1 4.06Å; I926-M935 HydrophobicContact CD1-CG 4.5Å; I926-M935 HydrophobicContact CD1-SD 3.83Å; I926-M935 HydrophobicContact CG2-CG 3.51Å; I926-M935 HydrophobicContact CG2-SD 3.97Å; I926-R936 WeakPolarHBondContact CA-O 3.48Å; I926-V937 HydrophobicContact CG1-CG2 4.44Å; I926-S950 WeakPolarHBondContact O-CB 3.3Å; I926-G1003 WeakPolarHBondContact O-CA 3.48Å; I926-P1010 HydrophobicContact CD1-CB 3.15Å; I926-P1010 HydrophobicContact CD1-CG 3.59Å; I926-P1010 HydrophobicContact CG1-CB 4.3Å; I926-P1010 HydrophobicContact CG1-CG 4.27Å; I926-V1013 HydrophobicContact CD1-CB 4.34Å; I926-V1013 HydrophobicContact CD1-CG2 3.83Å
927	T	69	Low	75.7	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.2	167.8	66.1	0	0	0	0	109.9	R936 H938 A949 L1001	T927-R936 PolarHBondContact N-O 3Å; T927-R936 PolarHBondContact O-N 3.12Å; T927-H938 WeakPolarHBondContact CG2-NE2 3.24Å; T927-H938 PolarHBondContact OG1-NE2 2.93Å; T927-A949 HydrophobicContact CG2-CB 3.67Å; T927-L1001 WeakPolarHBondContact CA-O 3.21Å; T927-L1001 WeakPolarHBondContact CB-O 3.41Å
928	T	66.9	Low	75.2	Confident	12 Å²	12	29.3 Å²	29.3	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.9	173.7	-58	0	0	0	0	109.2	L1000 L1001 D1002 V1006	T928-L1000 CarbonylContact O-C 3.57Å; T928-L1000 VanDerWaalsContact O-CA 3.28Å; T928-L1000 WeakPolarHBondContact O-CA 3.26Å; T928-L1001 PolarHBondContact N-O 3.22Å; T928-L1001 PolarHBondContact O-N 3.45Å; T928-D1002 WeakPolarHBondContact CB-O 3.19Å; T928-D1002 PolarHBondContact OG1-O 2.96Å; T928-V1006 HydrophobicContact CG2-CG2 3.54Å; T928-V1006 WeakPolarHBondContact OG1-CG2 3.37Å
929	D	63.5	Low	74.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117	171.3	-176.7	-8.5	0	0	0	109.6	T931 S932 S933 E934 R936 H998 L999 L1000	D929-T931 WeakPolarHBondContact OD1-CA 3.5Å; D929-T931 VanDerWaalsContact OD1-CB 3.3Å; D929-T931 WeakPolarHBondContact OD1-CB 3.48Å; D929-T931 PolarHBondContact OD1-N 2.88Å; D929-S932 PolarHBondContact OD1-N 2.84Å; D929-S932 PolarHBondContact OD2-OG 2.91Å; D929-S933 CarbonylContact O-C 3.53Å; D929-S933 WeakPolarHBondContact O-CA 3.46Å; D929-S933 PolarHBondContact O-N 2.89Å; D929-E934 HydrophobicContact CB-CG 4.48Å; D929-E934 PolarHBondContact N-O 3.05Å; D929-E934 PolarHBondContact O-N 3.4Å; D929-R936 HydrophobicContact CB-CG 4.03Å; D929-R936 IonicContact OD2-CZ 3.67Å; D929-R936 IonicContact OD2-NE 3.76Å; D929-R936 PolarHBondContact OD2-NE 3.04Å; D929-R936 IonicContact OD2-NH2 2.82Å; D929-R936 PolarHBondContact OD2-NH2 3.05Å; D929-H998 IonicContact OD1-ND1 3.36Å; D929-H998 WeakPolarHBondContact OD2-CB 3.45Å; D929-H998 IonicContact OD2-CE1 3.26Å; D929-H998 IonicContact OD2-CG 3.28Å; D929-H998 IonicContact OD2-ND1 3.59Å; D929-H998 PolarHBondContact OD2-ND1 3.35Å; D929-L999 WeakPolarHBondContact CA-O 3.14Å; D929-L999 VanDerWaalsContact OD1-O 3.14Å; D929-L1000 HydrophobicContact CB-CD2 3.76Å
930	I	59.2	Low	74	Confident	46 Å²	46	34.7 Å²	34.7	24%	0.236	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.2	177.5	57.1	168.6	0	0	0	113.3	P959 L999 L1001	I930-P959 HydrophobicContact CD1-CB 4.05Å; I930-L999 HydrophobicContact CD1-CB 3.81Å; I930-L999 HydrophobicContact CD1-CD1 4.1Å; I930-L999 HydrophobicContact CG1-CB 3.54Å; I930-L999 HydrophobicContact CG1-CD1 4.48Å; I930-L999 VanDerWaalsContact CG1-O 3.23Å; I930-L999 WeakPolarHBondContact CG1-O 3.4Å; I930-L999 PolarHBondContact N-O 3.48Å; I930-L1001 HydrophobicContact CD1-CG 4.43Å; I930-L1001 HydrophobicContact CG2-CD1 3.26Å; I930-L1001 HydrophobicContact CG2-CG 3.63Å
931	T	58.6	Low	73.2	Confident	77 Å²	77	35 Å²	35	47%	0.472	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-42.9	178.8	-53	0	0	0	0	110.2	D929 H998 L999	D929-T931 WeakPolarHBondContact OD1-CA 3.5Å; D929-T931 VanDerWaalsContact OD1-CB 3.3Å; D929-T931 WeakPolarHBondContact OD1-CB 3.48Å; D929-T931 PolarHBondContact OD1-N 2.88Å; T931-H998 WeakPolarHBondContact CB-ND1 3.49Å; T931-L999 WeakPolarHBondContact OG1-CB 3.09Å; T931-L999 PolarHBondContact OG1-N 2.99Å
932	S	55.4	Low	72.7	Confident	44 Å²	44	38.1 Å²	38.1	31%	0.308	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.1	171.3	58.9	0	0	0	0	113.8	D929 E934	D929-S932 PolarHBondContact OD1-N 2.84Å; D929-S932 PolarHBondContact OD2-OG 2.91Å; S932-E934 VanDerWaalsContact C-N 3.29Å; S932-E934 VanDerWaalsContact CB-OE1 3.32Å; S932-E934 WeakPolarHBondContact CB-OE1 3.45Å; S932-E934 PolarHBondContact O-N 3.35Å; S932-E934 WeakPolarHBondContact OG-CG 3.35Å; S932-E934 PolarHBondContact OG-OE1 3.3Å
933	S	61.6	Low	72.2	Confident	105 Å²	105	36.4 Å²	36.4	73%	0.734	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	39.8	-175	-60.3	0	0	0	0	113.1	D929	D929-S933 CarbonylContact O-C 3.53Å; D929-S933 WeakPolarHBondContact O-CA 3.46Å; D929-S933 PolarHBondContact O-N 2.89Å
934	E	66.6	Low	71.5	Confident	98 Å²	98	36.5 Å²	36.5	46%	0.458	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	162.8	-175.9	88.7	-162.6	139.6	0	0	113	D929 S932 R936	D929-E934 HydrophobicContact CB-CG 4.48Å; D929-E934 PolarHBondContact N-O 3.05Å; D929-E934 PolarHBondContact O-N 3.4Å; S932-E934 VanDerWaalsContact C-N 3.29Å; S932-E934 VanDerWaalsContact CB-OE1 3.32Å; S932-E934 WeakPolarHBondContact CB-OE1 3.45Å; S932-E934 PolarHBondContact O-N 3.35Å; S932-E934 WeakPolarHBondContact OG-CG 3.35Å; S932-E934 PolarHBondContact OG-OE1 3.3Å; E934-R936 HydrophobicContact CG-CG 4.49Å
935	M	70.5	Confident	70.6	Confident	60 Å²	60	37.1 Å²	37.1	30%	0.296	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.4	171.8	-175.1	176.5	63.2	0	0	110.3	I926 V1006 N1007 V1013	I926-M935 HydrophobicContact CD1-CG 4.5Å; I926-M935 HydrophobicContact CD1-SD 3.83Å; I926-M935 HydrophobicContact CG2-CG 3.51Å; I926-M935 HydrophobicContact CG2-SD 3.97Å; M935-V1006 HydrophobicContact CB-CB 4.41Å; M935-V1006 HydrophobicContact CB-CG1 3.86Å; M935-V1006 HydrophobicContact CG-CG1 4.34Å; M935-V1006 HydrophobicContact SD-CG1 4.39Å; M935-N1007 HydrophobicContact SD-CB 3.88Å; M935-V1013 HydrophobicContact CE-CG2 3.56Å; M935-V1013 HydrophobicContact SD-CG2 4.1Å
936	R	69.3	Low	70.1	Confident	36 Å²	36	38.1 Å²	38.1	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.3	171.1	-69.4	-167.8	-176.9	-160.4	-6.4	112	I926 T927 D929 E934 D993 D996 H998	I926-R936 WeakPolarHBondContact CA-O 3.48Å; T927-R936 PolarHBondContact N-O 3Å; T927-R936 PolarHBondContact O-N 3.12Å; D929-R936 HydrophobicContact CB-CG 4.03Å; D929-R936 IonicContact OD2-CZ 3.67Å; D929-R936 IonicContact OD2-NE 3.76Å; D929-R936 PolarHBondContact OD2-NE 3.04Å; D929-R936 IonicContact OD2-NH2 2.82Å; D929-R936 PolarHBondContact OD2-NH2 3.05Å; E934-R936 HydrophobicContact CG-CG 4.49Å; R936-D993 IonicContact NH1-OD2 2.96Å; R936-D993 PolarHBondContact NH1-OD2 3.31Å; R936-D993 VanDerWaalsContact NH1-OD2 3.15Å; R936-D996 IonicContact CZ-OD2 3.95Å; R936-D996 IonicContact NH1-OD1 2.83Å; R936-D996 IonicContact NH1-OD2 3.99Å; R936-D996 PolarHBondContact NH1-OD2 2.82Å; R936-D996 IonicContact NH2-OD2 3.68Å; R936-D996 PolarHBondContact NH2-OD2 3.28Å; R936-H998 PolarHBondContact NH2-ND1 3.49Å; R936-H998 VanDerWaalsContact NH2-ND1 3.11Å
937	V	78.6	Confident	69.7	Low	36 Å²	36	38.1 Å²	38.1	22%	0.218	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.5	175.4	-176	0	0	0	0	108.4	F924 I926 R939 V1013	F924-V937 HydrophobicContact CB-CG1 4Å; F924-V937 HydrophobicContact CD2-CG1 3.77Å; F924-V937 HydrophobicContact CG-CG1 4.11Å; I926-V937 HydrophobicContact CG1-CG2 4.44Å; V937-R939 HydrophobicContact CG1-CG 4.42Å; V937-V1013 HydrophobicContact CG1-CG1 4.1Å; V937-V1013 HydrophobicContact CG2-CG1 3.72Å; V937-V1013 HydrophobicContact CG2-CG2 4.45Å
938	H	76.1	Confident	69.6	Low	14 Å²	14	38.1 Å²	38.1	7%	0.065	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	111.9	-178.7	-63.5	-71.8	0	0	0	110.1	I916 F924 N925 T927 Y946	I916-H938 HydrophobicContact CD1-CB 4.3Å; F924-H938 VanDerWaalsContact CA-O 3.32Å; F924-H938 WeakPolarHBondContact CA-O 3.27Å; N925-H938 PolarHBondContact N-O 3.11Å; N925-H938 PolarHBondContact O-N 3.37Å; N925-H938 WeakPolarHBondContact OD1-CB 3.39Å; T927-H938 WeakPolarHBondContact CG2-NE2 3.24Å; T927-H938 PolarHBondContact OG1-NE2 2.93Å; H938-Y946 HydrophobicContact CB-CD1 4.21Å; H938-Y946 HydrophobicContact CB-CD2 4.46Å; H938-Y946 HydrophobicContact CB-CG 4.12Å; H938-Y946 AromaticContact CD2-CD1 3.88Å; H938-Y946 AromaticContact CE1-CD1 3.7Å; H938-Y946 AromaticContact CE1-CE1 3.5Å; H938-Y946 AromaticContact CG-CD1 3.56Å; H938-Y946 AromaticContact CG-CE1 3.88Å; H938-Y946 AromaticContact CG-CG 3.98Å; H938-Y946 AromaticContact ND1-CD1 3.47Å; H938-Y946 WeakPolarHBondContact ND1-CD1 3.43Å; H938-Y946 AromaticContact ND1-CE1 3.26Å; H938-Y946 VanDerWaalsContact ND1-CE1 3.26Å; H938-Y946 WeakPolarHBondContact ND1-CE1 3.29Å; H938-Y946 AromaticContact ND1-CZ 3.81Å; H938-Y946 AromaticContact NE2-CD1 3.93Å
939	R	78.1	Confident	69.1	Low	81 Å²	81	37.6 Å²	37.6	31%	0.306	20%	0.204	S	C	.	.			trans	-106	-3.8	177.1	-68.5	160.8	144	-89.1	-159.5	113	E611 V937	E611-R939 IonicContact OE1-NE 2.71Å; E611-R939 IonicContact OE2-CZ 3.04Å; E611-R939 IonicContact OE2-NE 2.8Å; E611-R939 PolarHBondContact OE2-NE 3.09Å; E611-R939 IonicContact OE2-NH1 2.79Å; E611-R939 PolarHBondContact OE2-NH1 3.18Å; V937-R939 HydrophobicContact CG1-CG 4.42Å
940	S	74.7	Confident	68.8	Low	58 Å²	58	37.6 Å²	37.6	41%	0.406	20%	0.204	S	C	.	.	S	Bend	trans	-155.4	147.3	-167.6	52.3	0	0	0	0	113.2	E917 Y946	E917-S940 WeakPolarHBondContact OE1-CA 3.26Å; E917-S940 WeakPolarHBondContact OE1-CB 3.41Å; E917-S940 WeakPolarHBondContact OE2-CA 3.4Å; S940-Y946 WeakPolarHBondContact O-CE2 3.35Å
941	G	73	Confident	68.9	Low	14 Å²	14	36.7 Å²	36.7	14%	0.144	20%	0.199	C	C	.	.	S	Bend	trans	99.4	-170	174.9	0	0	0	0	0	114.2	Q915 I916 E917 L943	Q915-G941 CarbonylContact C-O 3.57Å; Q915-G941 WeakPolarHBondContact CA-O 3.34Å; Q915-G941 VanDerWaalsContact OE1-CA 3.23Å; Q915-G941 PolarHBondContact OE1-O 2.77Å; I916-G941 WeakPolarHBondContact CG1-O 3.43Å; I916-G941 PolarHBondContact N-O 3.4Å; E917-G941 PolarHBondContact OE1-N 3.22Å; E917-G941 PolarHBondContact OE2-N 3.2Å; G941-L943 PolarHBondContact O-N 3.36Å; G941-L943 VanDerWaalsContact O-N 3.14Å
942	K	80.3	Confident	68.5	Low	69 Å²	69	33.8 Å²	33.8	30%	0.3	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-66.7	116	-164.6	-69.9	-179.6	-179.1	172.8	0	111.7	W944 R945 Y946	K942-W944 PolarHBondContact O-N 2.86Å; K942-R945 HydrophobicContact CB-CB 4.2Å; K942-R945 WeakPolarHBondContact O-CB 3.05Å; K942-R945 PolarHBondContact O-N 2.81Å; K942-R945 VanDerWaalsContact O-N 3.08Å; K942-Y946 VanDerWaalsContact O-CD2 3.31Å; K942-Y946 WeakPolarHBondContact O-CD2 3.42Å; K942-Y946 PolarHBondContact O-N 3.31Å
943	L	79.8	Confident	68.1	Low	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.8	-48.4	-173.9	178	63.2	0	0	0	112.3	F911 I914 I916 L919 Y923 G941 R945 Y946 C947	F911-L943 HydrophobicContact CD1-CD2 3.51Å; F911-L943 HydrophobicContact CD1-CG 4.23Å; F911-L943 HydrophobicContact CD2-CG 4.45Å; F911-L943 HydrophobicContact CE1-CD2 3.72Å; F911-L943 HydrophobicContact CE1-CG 4.39Å; F911-L943 HydrophobicContact CG-CD2 3.98Å; F911-L943 HydrophobicContact CG-CG 4.26Å; F911-L943 HydrophobicContact CZ-CD2 4.33Å; I914-L943 HydrophobicContact CG2-CD2 4.49Å; I914-L943 WeakPolarHBondContact O-CB 3.3Å; I914-L943 PolarHBondContact O-N 3.25Å; I916-L943 HydrophobicContact CG1-CB 4.24Å; I916-L943 HydrophobicContact CG1-CD1 3.89Å; L919-L943 HydrophobicContact CD1-CD1 4.14Å; L919-L943 HydrophobicContact CD1-CD2 4.21Å; L919-L943 HydrophobicContact CD2-CD2 4.06Å; Y923-L943 HydrophobicContact CD1-CD1 4.09Å; Y923-L943 HydrophobicContact CE1-CD1 3.64Å; G941-L943 PolarHBondContact O-N 3.36Å; G941-L943 VanDerWaalsContact O-N 3.14Å; L943-R945 PolarHBondContact O-N 3.47Å; L943-Y946 PolarHBondContact O-N 3.42Å; L943-C947 VanDerWaalsContact CD1-SG 3.54Å; L943-C947 VanDerWaalsContact O-CB 3.28Å; L943-C947 WeakPolarHBondContact O-CB 3.35Å; L943-C947 PolarHBondContact O-N 3.47Å; L943-C947 PolarHBondContact O-SG 3.21Å; L943-C947 VanDerWaalsContact O-SG 3.32Å
944	W	75.3	Confident	66.9	Low	14 Å²	14	34.6 Å²	34.6	5%	0.053	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-33.2	-177.4	77.3	-100.6	0	0	0	112.6	L907 E908 F911 K942 R948 C978	L907-W944 HydrophobicContact CB-CB 4.2Å; E908-W944 HydrophobicContact CG-CD2 3.72Å; E908-W944 HydrophobicContact CG-CE3 3.91Å; E908-W944 HydrophobicContact CG-CG 4.25Å; E908-W944 HydrophobicContact CG-CH2 4.37Å; E908-W944 HydrophobicContact CG-CZ2 4.14Å; E908-W944 HydrophobicContact CG-CZ3 4.24Å; E908-W944 WeakPolarHBondContact OE1-CH2 3.48Å; E908-W944 WeakPolarHBondContact OE1-CZ2 3.35Å; F911-W944 HydrophobicContact CB-CB 3.86Å; F911-W944 HydrophobicContact CD2-CB 3.88Å; F911-W944 HydrophobicContact CG-CB 4.36Å; K942-W944 PolarHBondContact O-N 2.86Å; W944-R948 WeakPolarHBondContact O-CB 3.41Å; W944-R948 PolarHBondContact O-N 2.69Å; W944-R948 VanDerWaalsContact O-N 3.12Å; W944-C978 HydrophobicContact CH2-CB 3.91Å; W944-C978 WeakPolarHBondContact CH2-SG 3.49Å
945	R	69.8	Low	65.5	Low	15 Å²	15	30.7 Å²	30.7	6%	0.057	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-47.9	-179.1	-173	-169.7	-177.3	102.8	-6.9	110.6	K942 L943 R948 A949 C992 E994	K942-R945 HydrophobicContact CB-CB 4.2Å; K942-R945 WeakPolarHBondContact O-CB 3.05Å; K942-R945 PolarHBondContact O-N 2.81Å; K942-R945 VanDerWaalsContact O-N 3.08Å; L943-R945 PolarHBondContact O-N 3.47Å; R945-R948 PolarHBondContact O-N 3.15Å; R945-A949 WeakPolarHBondContact O-CB 3.47Å; R945-A949 PolarHBondContact O-N 3.38Å; R945-C992 PolarHBondContact NH2-O 3.35Å; R945-E994 IonicContact CZ-OE1 2.87Å; R945-E994 IonicContact NH1-OE1 3.79Å; R945-E994 PolarHBondContact NH1-OE1 3.24Å; R945-E994 IonicContact NH2-OE1 3.3Å; R945-E994 PolarHBondContact NH2-OE1 3.07Å
946	Y	69.2	Low	63.6	Low	21 Å²	21	33.8 Å²	33.8	8%	0.082	17%	0.169	C	C	.	.	H	α-helix	trans	-77.5	-37.4	-176.8	-65.3	-61.3	0	0	0	112.5	I916 N925 H938 S940 K942 L943 R948 A949 S950	I916-Y946 HydrophobicContact CD1-CD2 3.62Å; I916-Y946 HydrophobicContact CD1-CE2 4.36Å; I916-Y946 HydrophobicContact CD1-CG 4.28Å; N925-Y946 WeakPolarHBondContact ND2-CB 3.37Å; N925-Y946 PolarHBondContact ND2-O 3.32Å; N925-Y946 VanDerWaalsContact ND2-O 3.1Å; H938-Y946 HydrophobicContact CB-CD1 4.21Å; H938-Y946 HydrophobicContact CB-CD2 4.46Å; H938-Y946 HydrophobicContact CB-CG 4.12Å; H938-Y946 AromaticContact CD2-CD1 3.88Å; H938-Y946 AromaticContact CE1-CD1 3.7Å; H938-Y946 AromaticContact CE1-CE1 3.5Å; H938-Y946 AromaticContact CG-CD1 3.56Å; H938-Y946 AromaticContact CG-CE1 3.88Å; H938-Y946 AromaticContact CG-CG 3.98Å; H938-Y946 AromaticContact ND1-CD1 3.47Å; H938-Y946 WeakPolarHBondContact ND1-CD1 3.43Å; H938-Y946 AromaticContact ND1-CE1 3.26Å; H938-Y946 VanDerWaalsContact ND1-CE1 3.26Å; H938-Y946 WeakPolarHBondContact ND1-CE1 3.29Å; H938-Y946 AromaticContact ND1-CZ 3.81Å; H938-Y946 AromaticContact NE2-CD1 3.93Å; S940-Y946 WeakPolarHBondContact O-CE2 3.35Å; K942-Y946 VanDerWaalsContact O-CD2 3.31Å; K942-Y946 WeakPolarHBondContact O-CD2 3.42Å; K942-Y946 PolarHBondContact O-N 3.31Å; L943-Y946 PolarHBondContact O-N 3.42Å; Y946-R948 PolarHBondContact O-N 3.3Å; Y946-A949 PolarHBondContact O-N 2.88Å; Y946-S950 PolarHBondContact O-N 3.14Å
947	C	68.4	Low	61.6	Low	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-51.3	-47.5	166.3	-77.1	0	0	0	0	110.1	F911 L943 S950 M951	F911-C947 HydrophobicContact CE2-CB 4.12Å; L943-C947 VanDerWaalsContact CD1-SG 3.54Å; L943-C947 VanDerWaalsContact O-CB 3.28Å; L943-C947 WeakPolarHBondContact O-CB 3.35Å; L943-C947 PolarHBondContact O-N 3.47Å; L943-C947 PolarHBondContact O-SG 3.21Å; L943-C947 VanDerWaalsContact O-SG 3.32Å; C947-S950 PolarHBondContact O-N 3.36Å; C947-S950 PolarHBondContact O-OG 2.63Å; C947-M951 WeakPolarHBondContact O-CG 3.45Å; C947-M951 PolarHBondContact O-N 2.94Å
948	R	65.7	Low	59.2	Low	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.6	-39.4	178.7	-154.9	178	128.8	-110.7	-158.2	114.2	L903 N904 L907 W944 R945 Y946 S950 M951 C978 R979 S981 M982	L903-R948 HydrophobicContact CD2-CG 4.06Å; N904-R948 PolarHBondContact ND2-NH1 3.05Å; N904-R948 WeakPolarHBondContact OD1-CD 3.04Å; N904-R948 PolarHBondContact OD1-NE 3.22Å; N904-R948 PolarHBondContact OD1-NH1 2.84Å; N904-R948 PolarHBondContact OD1-NH2 2.9Å; L907-R948 HydrophobicContact CD1-CB 3.4Å; L907-R948 VanDerWaalsContact CD1-CB 3.4Å; L907-R948 HydrophobicContact CD1-CG 3.49Å; L907-R948 VanDerWaalsContact CD1-CG 3.49Å; W944-R948 WeakPolarHBondContact O-CB 3.41Å; W944-R948 PolarHBondContact O-N 2.69Å; W944-R948 VanDerWaalsContact O-N 3.12Å; R945-R948 PolarHBondContact O-N 3.15Å; Y946-R948 PolarHBondContact O-N 3.3Å; R948-S950 PolarHBondContact O-N 3.22Å; R948-M951 PolarHBondContact O-N 2.72Å; R948-C978 PolarHBondContact NH1-O 3.47Å; R948-C978 PolarHBondContact NH2-O 2.81Å; R948-R979 PolarHBondContact NH1-O 2.93Å; R948-S981 CarbonylContact C-O 3.51Å; R948-S981 WeakPolarHBondContact CB-O 3.4Å; R948-S981 VanDerWaalsContact CG-O 3.22Å; R948-S981 WeakPolarHBondContact CG-O 3.44Å; R948-S981 PolarHBondContact NE-O 3.07Å; R948-S981 VanDerWaalsContact NH2-CB 3.26Å; R948-S981 PolarHBondContact NH2-O 3.22Å; R948-S981 VanDerWaalsContact O-O 3.14Å; R948-M982 HydrophobicContact CG-CB 4.45Å; R948-M982 HydrophobicContact CG-CG 4.03Å; R948-M982 VanDerWaalsContact NE-CB 3.3Å; R948-M982 VanDerWaalsContact NE-CG 3.32Å
949	A	58	Low	57.2	Low	1 Å²	1	41.5 Å²	41.5	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-58.2	-32.7	176	0	0	0	0	0	111.2	T927 R945 Y946 S981 V991 L1001 D1002	T927-A949 HydrophobicContact CG2-CB 3.67Å; R945-A949 WeakPolarHBondContact O-CB 3.47Å; R945-A949 PolarHBondContact O-N 3.38Å; Y946-A949 PolarHBondContact O-N 2.88Å; A949-S981 WeakPolarHBondContact CA-O 2.81Å; A949-S981 PolarHBondContact N-O 2.88Å; A949-V991 HydrophobicContact CB-CG1 4.31Å; A949-V991 HydrophobicContact CB-CG2 3.88Å; A949-L1001 CarbonylContact O-C 3.09Å; A949-L1001 VanDerWaalsContact O-C 3.26Å; A949-D1002 PolarHBondContact O-N 3.49Å
950	S	57.5	Low	54.8	Low	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.3	173.7	78	0	0	0	0	114.9	S851 A854 I926 Y946 C947 R948	S851-S950 WeakPolarHBondContact CA-O 3.21Å; S851-S950 WeakPolarHBondContact CB-O 3.23Å; S851-S950 PolarHBondContact N-O 3.12Å; S851-S950 VanDerWaalsContact N-O 3.1Å; S851-S950 PolarHBondContact N-OG 3.02Å; S851-S950 PolarHBondContact OG-O 3.32Å; A854-S950 WeakPolarHBondContact CB-OG 3.49Å; I926-S950 WeakPolarHBondContact O-CB 3.3Å; Y946-S950 PolarHBondContact O-N 3.14Å; C947-S950 PolarHBondContact O-N 3.36Å; C947-S950 PolarHBondContact O-OG 2.63Å; R948-S950 PolarHBondContact O-N 3.22Å
951	M	60	Low	52.9	Low	27 Å²	27	46.7 Å²	46.7	13%	0.133	26%	0.263	C	S	.	.			trans	-114	94.9	-167.5	-80	174.6	75.7	0	0	114.2	S851 I852 F855 L907 C947 R948	S851-M951 WeakPolarHBondContact O-CG 3.46Å; S851-M951 WeakPolarHBondContact OG-CA 3.25Å; I852-M951 HydrophobicContact CD1-CE 3.99Å; F855-M951 HydrophobicContact CB-CE 4.29Å; F855-M951 HydrophobicContact CB-SD 3.77Å; F855-M951 HydrophobicContact CG-SD 4.48Å; L907-M951 HydrophobicContact CD1-SD 4.4Å; L907-M951 HydrophobicContact CD2-SD 4.48Å; C947-M951 WeakPolarHBondContact O-CG 3.45Å; C947-M951 PolarHBondContact O-N 2.94Å; R948-M951 PolarHBondContact O-N 2.72Å
952	S	51.2	Low	50.9	Low	17 Å²	17	52.6 Å²	52.6	12%	0.119	29%	0.291	C	S	.	.			trans	-155.6	154.9	-177.4	-39.5	0	0	0	0	116.2	M982 T983 L984 D1002	S952-M982 WeakPolarHBondContact CB-O 3.41Å; S952-M982 PolarHBondContact OG-O 2.58Å; S952-T983 WeakPolarHBondContact CB-O 3.44Å; S952-T983 PolarHBondContact OG-N 2.85Å; S952-T983 PolarHBondContact OG-O 3.46Å; S952-L984 WeakPolarHBondContact O-CD1 3.22Å; S952-D1002 PolarHBondContact N-OD2 2.64Å
953	Y	46.4	Very low	48.7	Very low	117 Å²	117	55.3 Å²	55.3	46%	0.459	32%	0.316	S	S	.	.			trans	-127	158.8	-178.2	-164.6	-105.7	0	0	0	112.3	L984 F987 T1101	Y953-L984 VanDerWaalsContact C-CB 3.42Å; Y953-L984 WeakPolarHBondContact O-CB 3.03Å; Y953-F987 WeakPolarHBondContact O-CB 2.92Å; Y953-T1101 HydrophobicContact CE2-CG2 4.47Å
954	I	35.8	Very low	46.5	Very low	48 Å²	48	59.8 Å²	59.8	25%	0.246	34%	0.343	C	S	.	.			trans	-94.4	157.7	-156	-148.9	166.1	0	0	0	116.9	L984	I954-L984 HydrophobicContact CB-CD2 3.71Å; I954-L984 HydrophobicContact CD1-CD2 4.45Å; I954-L984 HydrophobicContact CG1-CD2 4.03Å
955	G	38.1	Very low	44.5	Very low	17 Å²	17	64.8 Å²	64.8	18%	0.175	37%	0.371	C	S	.	.			trans	154	126.2	148.1	0	0	0	0	0	116.1	A985 G986	G955-A985 CarbonylContact C-O 3.54Å; G955-A985 PolarHBondContact N-O 2.94Å; G955-G986 CarbonylContact O-C 3.07Å; G955-G986 WeakPolarHBondContact O-CA 3.36Å
956	L	31.1	Very low	42.7	Very low	124 Å²	124	67.9 Å²	67.9	65%	0.649	41%	0.407	S	S	*	.	S	Bend	trans	65.9	113.8	166	-80.7	141	0	0	0	118.3	M897 G986	M897-L956 HydrophobicContact CE-CD1 4.39Å; L956-G986 VanDerWaalsContact O-CA 3.26Å; L956-G986 WeakPolarHBondContact O-CA 3.37Å
957	S	26.9	Very low	40.6	Very low	74 Å²	74	74.5 Å²	74.5	52%	0.517	44%	0.439	S	S	.	.	S	Bend	trans	89.5	145.6	159.4	-69	0	0	0	0	119
958	P	27.5	Very low	38.6	Very low	89 Å²	89	82.4 Å²	82.4	58%	0.578	47%	0.47	S	S	*	.			trans	-79.4	150.8	-158.3	30.3	-35.5	0	0	0	114.4
959	P	33.7	Very low	36.7	Very low	86 Å²	86	87.4 Å²	87.4	56%	0.558	50%	0.496	S	S	*	.			trans	-66.6	130.8	173.8	29	-33.4	0	0	0	110	I930	I930-P959 HydrophobicContact CD1-CB 4.05Å
960	L	28.2	Very low	35.2	Very low	146 Å²	146	92.4 Å²	92.4	76%	0.764	53%	0.526	S	S	*	.			trans	-135.5	133.6	176.4	-83.2	165.2	0	0	0	110.6
961	C	34.7	Very low	33.7	Very low	101 Å²	101	96 Å²	96	68%	0.682	55%	0.545	S	S	*	.			trans	-64.6	154.7	172.2	-57.9	0	0	0	0	111.3	P963	C961-P963 WeakPolarHBondContact O-CD 3.28Å
962	D	31	Very low	32.2	Very low	138 Å²	138	96 Å²	96	74%	0.738	55%	0.552	S	S	*	*			trans	-67.6	123.3	170.4	-156.4	-22	0	0	0	109.3	V964	D962-V964 PolarHBondContact O-N 3.16Å; D962-V964 VanDerWaalsContact O-N 3.16Å
963	P	33.8	Very low	31.4	Very low	127 Å²	127	99.4 Å²	99.4	83%	0.825	57%	0.572	S	S	*	*	S	Bend	trans	-78.4	15.2	-176.5	29.4	-33.7	0	0	0	114.5	C961	C961-P963 WeakPolarHBondContact O-CD 3.28Å
964	V	34.2	Very low	30.6	Very low	93 Å²	93	98.7 Å²	98.7	56%	0.564	58%	0.576	S	S	*	*	S	Bend	trans	-137.6	136.6	178.7	-170.7	0	0	0	0	110.9	D962	D962-V964 PolarHBondContact O-N 3.16Å; D962-V964 VanDerWaalsContact O-N 3.16Å
965	D	33.8	Very low	30.4	Very low	120 Å²	120	103.7 Å²	103.7	64%	0.642	59%	0.592	S	S	*	*			trans	47.4	71.7	170.9	-58.3	-14.1	0	0	0	115.7	H967	D965-H967 PolarHBondContact O-N 2.97Å
966	G	31.2	Very low	29.8	Very low	79 Å²	79	110 Å²	110	81%	0.814	61%	0.61	S	S	*	*			trans	-63	37.1	167.9	0	0	0	0	0	115.7
967	H	24.7	Very low	29.8	Very low	161 Å²	161	108.6 Å²	108.6	75%	0.745	60%	0.597	S	S	*	*	S	Bend	trans	-144.2	138.6	-178.2	-76.2	-67.1	0	0	0	112.9	D965 L969	D965-H967 PolarHBondContact O-N 2.97Å; H967-L969 PolarHBondContact O-N 3.06Å
968	Y	28	Very low	30	Very low	166 Å²	166	105.4 Å²	105.4	65%	0.651	58%	0.575	S	S	*	*			trans	-20.9	113.9	167.9	-65.5	-90.1	0	0	0	116.8
969	L	24.9	Very low	30	Very low	105 Å²	105	106.7 Å²	106.7	55%	0.55	57%	0.568	S	S	.	*			trans	-137.2	99.1	156.5	-77	174.6	0	0	0	111.1	H967 D971	H967-L969 PolarHBondContact O-N 3.06Å; L969-D971 PolarHBondContact O-N 3.43Å
970	V	26.2	Very low	29.7	Very low	106 Å²	106	103.1 Å²	103.1	64%	0.642	55%	0.546	S	S	*	.			trans	-27.7	114.3	151.8	-178.7	0	0	0	0	110.7	R55	R55-V970 PolarHBondContact NH2-O 3.2Å
971	D	26.9	Very low	29.8	Very low	75 Å²	75	96.2 Å²	96.2	40%	0.401	51%	0.509	S	S	.	.			trans	134	105	161.7	-73.3	-22.5	0	0	0	111.3	R55 L969	R55-D971 IonicContact CZ-OD2 3.26Å; R55-D971 IonicContact NE-OD2 3.88Å; R55-D971 PolarHBondContact NE-OD2 2.79Å; R55-D971 IonicContact NH1-OD2 3.8Å; R55-D971 PolarHBondContact NH1-OD2 2.85Å; R55-D971 IonicContact NH2-OD2 3.32Å; R55-D971 PolarHBondContact NH2-OD2 2.95Å; L969-D971 PolarHBondContact O-N 3.43Å
972	G	28.8	Very low	29.7	Very low	27 Å²	27	92.5 Å²	92.5	28%	0.278	48%	0.482	S	S	.	.			trans	168.3	84.6	166	0	0	0	0	0	112.7	Y977	G972-Y977 VanDerWaalsContact O-CE2 3.25Å; G972-Y977 WeakPolarHBondContact O-CE2 3.13Å
973	T	34.3	Very low	30.3	Very low	88 Å²	88	86 Å²	86	54%	0.54	45%	0.448	S	S	.	.			trans	20.9	105.3	152.8	57.7	0	0	0	0	116.5	W975 R976	T973-W975 VanDerWaalsContact CB-CD1 3.41Å; T973-W975 PolarHBondContact O-N 3.45Å; T973-W975 PolarHBondContact OG1-NE1 3.46Å; T973-R976 PolarHBondContact O-N 2.89Å
974	L	28.3	Very low	31.2	Very low	102 Å²	102	80 Å²	80	53%	0.534	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-23.7	-39.2	174	-169.1	66.5	0	0	0	116.2	R976 Y977 C978	L974-R976 VanDerWaalsContact C-N 3.3Å; L974-R976 PolarHBondContact O-N 2.98Å; L974-Y977 PolarHBondContact O-N 3.04Å; L974-C978 PolarHBondContact O-N 3.05Å; L974-C978 PolarHBondContact O-SG 3.39Å
975	W	32.2	Very low	32	Very low	153 Å²	153	77.1 Å²	77.1	58%	0.58	40%	0.395	S	S	*	.	H	α-helix	trans	-62.4	-25.3	177.8	75.3	-94.8	0	0	0	115.3	T973 R979	T973-W975 VanDerWaalsContact CB-CD1 3.41Å; T973-W975 PolarHBondContact O-N 3.45Å; T973-W975 PolarHBondContact OG1-NE1 3.46Å; W975-R979 WeakPolarHBondContact O-CB 3.11Å; W975-R979 PolarHBondContact O-N 3.41Å
976	R	25.9	Very low	32.7	Very low	149 Å²	149	71.6 Å²	71.6	56%	0.562	37%	0.366	S	S	*	.	H	α-helix	trans	-71.6	-32.4	176.1	-84.8	-179	154.9	-164	-7.7	112.5	T973 L974 R979	T973-R976 PolarHBondContact O-N 2.89Å; L974-R976 VanDerWaalsContact C-N 3.3Å; L974-R976 PolarHBondContact O-N 2.98Å; R976-R979 WeakPolarHBondContact O-CB 3.37Å
977	Y	30.9	Very low	33.6	Very low	96 Å²	96	70.3 Å²	70.3	38%	0.376	34%	0.338	S	S	.	.	H	α-helix	trans	-84.1	-36.7	176.3	-62.9	-75.8	0	0	0	111.2	G972 L974 R979 A980 S981	G972-Y977 VanDerWaalsContact O-CE2 3.25Å; G972-Y977 WeakPolarHBondContact O-CE2 3.13Å; L974-Y977 PolarHBondContact O-N 3.04Å; Y977-R979 PolarHBondContact O-N 3.09Å; Y977-A980 VanDerWaalsContact O-CB 3.32Å; Y977-A980 WeakPolarHBondContact O-CB 3.32Å; Y977-A980 PolarHBondContact O-N 3.19Å; Y977-A980 VanDerWaalsContact O-N 3.15Å; Y977-S981 PolarHBondContact O-OG 3.4Å
978	C	30.3	Very low	34.8	Very low	6 Å²	6	62.7 Å²	62.7	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-34.5	166.1	-54.1	0	0	0	0	110.6	N904 W944 R948 L974 A980	N904-C978 VanDerWaalsContact ND2-C 3.28Å; N904-C978 PolarHBondContact ND2-O 2.96Å; N904-C978 PolarHBondContact OD1-O 3.42Å; W944-C978 HydrophobicContact CH2-CB 3.91Å; W944-C978 WeakPolarHBondContact CH2-SG 3.49Å; R948-C978 PolarHBondContact NH1-O 3.47Å; R948-C978 PolarHBondContact NH2-O 2.81Å; L974-C978 PolarHBondContact O-N 3.05Å; L974-C978 PolarHBondContact O-SG 3.39Å; C978-A980 VanDerWaalsContact C-N 3.26Å; C978-A980 PolarHBondContact O-N 3.11Å
979	R	28.4	Very low	36	Very low	117 Å²	117	56 Å²	56	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-31.8	176.7	-162.9	-180	72.9	164.8	6.2	113.2	R948 W975 R976 Y977	R948-R979 PolarHBondContact NH1-O 2.93Å; W975-R979 WeakPolarHBondContact O-CB 3.11Å; W975-R979 PolarHBondContact O-N 3.41Å; R976-R979 WeakPolarHBondContact O-CB 3.37Å; Y977-R979 PolarHBondContact O-N 3.09Å
980	A	26.3	Very low	37.6	Very low	11 Å²	11	52.7 Å²	52.7	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-44	-176.4	0	0	0	0	0	111.9	Y977 C978 M982 T983 P990 V991	Y977-A980 VanDerWaalsContact O-CB 3.32Å; Y977-A980 WeakPolarHBondContact O-CB 3.32Å; Y977-A980 PolarHBondContact O-N 3.19Å; Y977-A980 VanDerWaalsContact O-N 3.15Å; C978-A980 VanDerWaalsContact C-N 3.26Å; C978-A980 PolarHBondContact O-N 3.11Å; A980-M982 VanDerWaalsContact C-N 3.33Å; A980-M982 PolarHBondContact O-N 3.43Å; A980-T983 PolarHBondContact O-OG1 3.24Å; A980-P990 CarbonylContact C-O 3.58Å; A980-P990 WeakPolarHBondContact CA-O 3.45Å; A980-P990 WeakPolarHBondContact CB-O 3.43Å; A980-P990 CarbonylContact O-C 3.33Å; A980-V991 VanDerWaalsContact O-CA 3.25Å; A980-V991 WeakPolarHBondContact O-CA 3.28Å; A980-V991 PolarHBondContact O-N 3.16Å; A980-V991 VanDerWaalsContact O-N 3.1Å
981	S	30.2	Very low	39.1	Very low	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-81.8	45.6	-157.2	-21.7	0	0	0	0	118.3	R948 A949 Y977	R948-S981 CarbonylContact C-O 3.51Å; R948-S981 WeakPolarHBondContact CB-O 3.4Å; R948-S981 VanDerWaalsContact CG-O 3.22Å; R948-S981 WeakPolarHBondContact CG-O 3.44Å; R948-S981 PolarHBondContact NE-O 3.07Å; R948-S981 VanDerWaalsContact NH2-CB 3.26Å; R948-S981 PolarHBondContact NH2-O 3.22Å; R948-S981 VanDerWaalsContact O-O 3.14Å; A949-S981 WeakPolarHBondContact CA-O 2.81Å; A949-S981 PolarHBondContact N-O 2.88Å; Y977-S981 PolarHBondContact O-OG 3.4Å
982	M	33.8	Very low	40.7	Very low	23 Å²	23	45.8 Å²	45.8	11%	0.113	23%	0.226	C	C	.	.			trans	-132	23.6	-178.7	-146.1	179.9	96.9	0	0	114.5	G900 L903 R948 S952 A980 L984 A988	G900-M982 WeakPolarHBondContact CA-SD 3.4Å; L903-M982 HydrophobicContact CB-SD 3.81Å; L903-M982 HydrophobicContact CD2-CE 4.44Å; L903-M982 HydrophobicContact CD2-CG 3.7Å; L903-M982 HydrophobicContact CD2-SD 3.47Å; L903-M982 WeakPolarHBondContact CD2-SD 3.47Å; L903-M982 HydrophobicContact CG-SD 4.25Å; R948-M982 HydrophobicContact CG-CB 4.45Å; R948-M982 HydrophobicContact CG-CG 4.03Å; R948-M982 VanDerWaalsContact NE-CB 3.3Å; R948-M982 VanDerWaalsContact NE-CG 3.32Å; S952-M982 WeakPolarHBondContact CB-O 3.41Å; S952-M982 PolarHBondContact OG-O 2.58Å; A980-M982 VanDerWaalsContact C-N 3.33Å; A980-M982 PolarHBondContact O-N 3.43Å; M982-L984 PolarHBondContact O-N 3.46Å; M982-A988 HydrophobicContact CB-CB 3.76Å; M982-A988 HydrophobicContact CE-CB 3.93Å; M982-A988 HydrophobicContact CG-CB 4.42Å; M982-A988 WeakPolarHBondContact O-CB 3.41Å
983	T	42.6	Very low	42	Very low	2 Å²	2	45 Å²	45	1%	0.012	22%	0.216	C	C	.	.			trans	-92	124.1	-154.4	-60.8	0	0	0	0	115.4	S952 A980 A988 P989 P990 V991 L1001 D1002	S952-T983 WeakPolarHBondContact CB-O 3.44Å; S952-T983 PolarHBondContact OG-N 2.85Å; S952-T983 PolarHBondContact OG-O 3.46Å; A980-T983 PolarHBondContact O-OG1 3.24Å; T983-A988 WeakPolarHBondContact CG2-O 2.98Å; T983-P989 VanDerWaalsContact CG2-C 3.45Å; T983-P989 WeakPolarHBondContact CG2-O 3.43Å; T983-P989 PolarHBondContact OG1-O 3.05Å; T983-P990 VanDerWaalsContact OG1-C 3.24Å; T983-P990 WeakPolarHBondContact OG1-CA 3.28Å; T983-V991 PolarHBondContact OG1-N 3.35Å; T983-L1001 HydrophobicContact CG2-CD2 3.01Å; T983-L1001 WeakPolarHBondContact O-CA 2.93Å; T983-L1001 VanDerWaalsContact O-CD2 3.32Å; T983-L1001 WeakPolarHBondContact O-CD2 3.48Å; T983-D1002 PolarHBondContact O-N 3Å
984	L	53.3	Low	42.9	Very low	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.206	C	C	.	.	S	Bend	trans	-117.6	140.3	142.2	-122.4	74.7	0	0	0	108	S952 Y953 I954 M982 G986 F987 A988 D1002 Y1005	S952-L984 WeakPolarHBondContact O-CD1 3.22Å; Y953-L984 VanDerWaalsContact C-CB 3.42Å; Y953-L984 WeakPolarHBondContact O-CB 3.03Å; I954-L984 HydrophobicContact CB-CD2 3.71Å; I954-L984 HydrophobicContact CD1-CD2 4.45Å; I954-L984 HydrophobicContact CG1-CD2 4.03Å; M982-L984 PolarHBondContact O-N 3.46Å; L984-G986 PolarHBondContact O-N 2.77Å; L984-F987 PolarHBondContact O-N 3.22Å; L984-F987 VanDerWaalsContact O-N 3.16Å; L984-A988 PolarHBondContact O-N 3.02Å; L984-D1002 HydrophobicContact CD1-CB 3.11Å; L984-Y1005 HydrophobicContact CD1-CD2 3.91Å; L984-Y1005 HydrophobicContact CD1-CE2 3.2Å; L984-Y1005 HydrophobicContact CD2-CE1 4.44Å; L984-Y1005 HydrophobicContact CD2-CE2 3.99Å; L984-Y1005 WeakPolarHBondContact CD2-OH 3.46Å; L984-Y1005 HydrophobicContact CG-CD2 4.49Å; L984-Y1005 HydrophobicContact CG-CE2 3.37Å; L984-Y1005 VanDerWaalsContact CG-CZ 3.48Å; L984-Y1005 WeakPolarHBondContact CG-OH 3.35Å
985	A	51.2	Low	44	Very low	32 Å²	32	41.7 Å²	41.7	26%	0.264	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-47	113.9	-175.1	0	0	0	0	0	111.9	G955	G955-A985 CarbonylContact C-O 3.54Å; G955-A985 PolarHBondContact N-O 2.94Å
986	G	48.4	Very low	45	Very low	4 Å²	4	37.4 Å²	37.4	4%	0.041	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	92.3	-15.4	172.1	0	0	0	0	0	117.3	S895 A896 M897 G955 L956 L984	S895-G986 WeakPolarHBondContact O-CA 3.05Å; A896-G986 CarbonylContact C-O 3.43Å; A896-G986 VanDerWaalsContact CA-O 3.28Å; A896-G986 WeakPolarHBondContact CA-O 3.07Å; M897-G986 PolarHBondContact N-O 2.9Å; G955-G986 CarbonylContact O-C 3.07Å; G955-G986 WeakPolarHBondContact O-CA 3.36Å; L956-G986 VanDerWaalsContact O-CA 3.26Å; L956-G986 WeakPolarHBondContact O-CA 3.37Å; L984-G986 PolarHBondContact O-N 2.77Å
987	F	49.7	Very low	46.5	Very low	53 Å²	53	32.2 Å²	32.2	23%	0.232	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-39.8	171.5	-144.6	-94.8	0	0	0	111.8	M897 F898 Y953 L984	M897-F987 PolarHBondContact N-O 3.25Å; M897-F987 VanDerWaalsContact N-O 3.13Å; F898-F987 AromaticContact CD2-CD1 3.55Å; F898-F987 HydrophobicContact CD2-CD1 3.55Å; F898-F987 AromaticContact CD2-CE1 3.35Å; F898-F987 HydrophobicContact CD2-CE1 3.35Å; F898-F987 HydrophobicContact CD2-CE2 4.47Å; F898-F987 HydrophobicContact CD2-CG 4.22Å; F898-F987 AromaticContact CD2-CZ 3.87Å; F898-F987 HydrophobicContact CD2-CZ 3.87Å; F898-F987 AromaticContact CE2-CD1 3.91Å; F898-F987 HydrophobicContact CE2-CD1 3.91Å; F898-F987 HydrophobicContact CE2-CD2 4.41Å; F898-F987 AromaticContact CE2-CE1 3.31Å; F898-F987 HydrophobicContact CE2-CE1 3.31Å; F898-F987 AromaticContact CE2-CE2 3.88Å; F898-F987 HydrophobicContact CE2-CE2 3.88Å; F898-F987 HydrophobicContact CE2-CG 4.43Å; F898-F987 AromaticContact CE2-CZ 3.3Å; F898-F987 HydrophobicContact CE2-CZ 3.3Å; F898-F987 HydrophobicContact CG-CE1 4.48Å; F898-F987 HydrophobicContact CZ-CE1 4.39Å; F898-F987 HydrophobicContact CZ-CZ 4.25Å; F898-F987 PolarHBondContact N-O 2.94Å; Y953-F987 WeakPolarHBondContact O-CB 2.92Å; L984-F987 PolarHBondContact O-N 3.22Å; L984-F987 VanDerWaalsContact O-N 3.16Å
988	A	50.6	Low	48	Very low	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-138	171.9	174.5	0	0	0	0	0	111	M982 T983 L984	M982-A988 HydrophobicContact CB-CB 3.76Å; M982-A988 HydrophobicContact CE-CB 3.93Å; M982-A988 HydrophobicContact CG-CB 4.42Å; M982-A988 WeakPolarHBondContact O-CB 3.41Å; T983-A988 WeakPolarHBondContact CG2-O 2.98Å; L984-A988 PolarHBondContact O-N 3.02Å
989	P	53.5	Low	49.6	Very low	24 Å²	24	31.1 Å²	31.1	16%	0.156	17%	0.173	C	C	.	.			trans	-61.5	-123.6	-158.1	-29.6	40.5	0	0	0	120.5	A896 T983	A896-P989 HydrophobicContact CB-CG 4.3Å; T983-P989 VanDerWaalsContact CG2-C 3.45Å; T983-P989 WeakPolarHBondContact CG2-O 3.43Å; T983-P989 PolarHBondContact OG1-O 3.05Å
990	P	57.1	Low	51.2	Low	37 Å²	37	25.6 Å²	25.6	24%	0.24	15%	0.152	C	C	.	.				-116.9	158.7	127.6	34.5	-35.4	0	0	0	112.5	A980 T983 L999	A980-P990 CarbonylContact C-O 3.58Å; A980-P990 WeakPolarHBondContact CA-O 3.45Å; A980-P990 WeakPolarHBondContact CB-O 3.43Å; A980-P990 CarbonylContact O-C 3.33Å; T983-P990 VanDerWaalsContact OG1-C 3.24Å; T983-P990 WeakPolarHBondContact OG1-CA 3.28Å; P990-L999 HydrophobicContact CB-CB 4.17Å; P990-L999 HydrophobicContact CB-CD1 4.25Å; P990-L999 HydrophobicContact CB-CD2 4.07Å; P990-L999 HydrophobicContact CB-CG 4.39Å; P990-L999 HydrophobicContact CG-CD1 4.15Å; P990-L999 HydrophobicContact CG-CD2 3.86Å; P990-L999 HydrophobicContact CG-CG 4.48Å
991	V	58.8	Low	53	Low	2 Å²	2	25.9 Å²	25.9	1%	0.012	15%	0.152	C	C	.	.			trans	-63.3	162.3	162.5	-177.1	0	0	0	0	108.4	A949 A980 T983 L999 L1000	A949-V991 HydrophobicContact CB-CG1 4.31Å; A949-V991 HydrophobicContact CB-CG2 3.88Å; A980-V991 VanDerWaalsContact O-CA 3.25Å; A980-V991 WeakPolarHBondContact O-CA 3.28Å; A980-V991 PolarHBondContact O-N 3.16Å; A980-V991 VanDerWaalsContact O-N 3.1Å; T983-V991 PolarHBondContact OG1-N 3.35Å; V991-L999 VanDerWaalsContact O-CA 3.23Å; V991-L999 WeakPolarHBondContact O-CA 3.46Å; V991-L999 WeakPolarHBondContact O-CD2 3.36Å; V991-L1000 HydrophobicContact CB-CB 3.63Å; V991-L1000 HydrophobicContact CB-CG 4.37Å; V991-L1000 WeakPolarHBondContact CB-O 3.39Å; V991-L1000 HydrophobicContact CG1-CB 3.76Å; V991-L1000 HydrophobicContact CG1-CD1 4.1Å; V991-L1000 HydrophobicContact CG1-CG 4.06Å; V991-L1000 VanDerWaalsContact CG2-C 3.45Å; V991-L1000 HydrophobicContact CG2-CB 3.85Å; V991-L1000 WeakPolarHBondContact CG2-O 3.04Å; V991-L1000 PolarHBondContact N-O 3.08Å; V991-L1000 VanDerWaalsContact N-O 3.14Å
992	C	59.5	Low	54.8	Low	33 Å²	33	26.1 Å²	26.1	22%	0.223	15%	0.153	C	C	.	.			trans	-139.1	124.8	159.8	-175.7	0	0	0	0	108.1	R945 G997 H998 L999	R945-C992 PolarHBondContact NH2-O 3.35Å; C992-G997 VanDerWaalsContact SG-C 3.56Å; C992-G997 PolarHBondContact SG-O 3.23Å; C992-G997 VanDerWaalsContact SG-O 3.34Å; C992-H998 CarbonylContact C-O 3.55Å; C992-H998 VanDerWaalsContact CA-O 3.29Å; C992-H998 WeakPolarHBondContact CA-O 3.45Å; C992-L999 HydrophobicContact CB-CD2 4.18Å
993	D	55.9	Low	56.4	Low	12 Å²	12	25 Å²	25	6%	0.064	15%	0.148	C	C	.	.			trans	-69.9	141.1	171.8	-169.7	-11.9	0	0	0	109.4	R936 L995 D996 G997 H998 L1000	R936-D993 IonicContact NH1-OD2 2.96Å; R936-D993 PolarHBondContact NH1-OD2 3.31Å; R936-D993 VanDerWaalsContact NH1-OD2 3.15Å; D993-L995 PolarHBondContact OD1-N 3.21Å; D993-D996 VanDerWaalsContact CB-OD1 3.29Å; D993-D996 WeakPolarHBondContact CB-OD1 3.34Å; D993-G997 VanDerWaalsContact O-CA 3.25Å; D993-G997 WeakPolarHBondContact O-CA 3.35Å; D993-G997 PolarHBondContact O-N 3.4Å; D993-G997 VanDerWaalsContact O-N 3.13Å; D993-H998 PolarHBondContact N-O 3.2Å; D993-L1000 HydrophobicContact CB-CD1 4.32Å
994	E	54.6	Low	57.7	Low	68 Å²	68	25 Å²	25	32%	0.318	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.8	-177.7	-78	170.9	-161.8	0	0	112.2	I105 R945	I105-E994 WeakPolarHBondContact CD1-OE2 3.24Å; R945-E994 IonicContact CZ-OE1 2.87Å; R945-E994 IonicContact NH1-OE1 3.79Å; R945-E994 PolarHBondContact NH1-OE1 3.24Å; R945-E994 IonicContact NH2-OE1 3.3Å; R945-E994 PolarHBondContact NH2-OE1 3.07Å
995	L	50.3	Low	58.4	Low	52 Å²	52	26.1 Å²	26.1	27%	0.272	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-45.9	-174.7	-65.3	172.7	0	0	0	112.3	I107 R108 D993	I107-L995 HydrophobicContact CB-CD2 4.23Å; I107-L995 HydrophobicContact CG2-CB 4.41Å; I107-L995 HydrophobicContact CG2-CD2 3.72Å; R108-L995 WeakPolarHBondContact O-CD1 3.29Å; R108-L995 WeakPolarHBondContact O-CD2 3.47Å; D993-L995 PolarHBondContact OD1-N 3.21Å
996	D	54.7	Low	59.3	Low	62 Å²	62	26.4 Å²	26.4	33%	0.332	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-8.5	-170.7	59.4	7.6	0	0	0	113.6	R936 D993 H998	R936-D996 IonicContact CZ-OD2 3.95Å; R936-D996 IonicContact NH1-OD1 2.83Å; R936-D996 IonicContact NH1-OD2 3.99Å; R936-D996 PolarHBondContact NH1-OD2 2.82Å; R936-D996 IonicContact NH2-OD2 3.68Å; R936-D996 PolarHBondContact NH2-OD2 3.28Å; D993-D996 VanDerWaalsContact CB-OD1 3.29Å; D993-D996 WeakPolarHBondContact CB-OD1 3.34Å; D996-H998 VanDerWaalsContact C-N 3.34Å; D996-H998 WeakPolarHBondContact OD1-CB 3.37Å; D996-H998 IonicContact OD1-CD2 3.39Å; D996-H998 PolarHBondContact OD1-CD2 3.06Å; D996-H998 IonicContact OD1-CG 2.91Å; D996-H998 PolarHBondContact OD1-N 3.1Å; D996-H998 IonicContact OD2-CD2 3.7Å; D996-H998 PolarHBondContact OD2-CD2 3.49Å; D996-H998 IonicContact OD2-CG 2.79Å; D996-H998 IonicContact OD2-NE2 3.57Å
997	G	56.2	Low	60.8	Low	40 Å²	40	26.3 Å²	26.3	41%	0.412	15%	0.149	S	C	.	.			trans	81	10.1	-178.9	0	0	0	0	0	114.5	C992 D993	C992-G997 VanDerWaalsContact SG-C 3.56Å; C992-G997 PolarHBondContact SG-O 3.23Å; C992-G997 VanDerWaalsContact SG-O 3.34Å; D993-G997 VanDerWaalsContact O-CA 3.25Å; D993-G997 WeakPolarHBondContact O-CA 3.35Å; D993-G997 PolarHBondContact O-N 3.4Å; D993-G997 VanDerWaalsContact O-N 3.13Å
998	H	62.3	Low	62.4	Low	46 Å²	46	25 Å²	25	21%	0.213	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-74.5	142	-175.6	-79.3	-117.8	0	0	0	112.9	D929 T931 R936 C992 D993 D996	D929-H998 IonicContact OD1-ND1 3.36Å; D929-H998 WeakPolarHBondContact OD2-CB 3.45Å; D929-H998 IonicContact OD2-CE1 3.26Å; D929-H998 IonicContact OD2-CG 3.28Å; D929-H998 IonicContact OD2-ND1 3.59Å; D929-H998 PolarHBondContact OD2-ND1 3.35Å; T931-H998 WeakPolarHBondContact CB-ND1 3.49Å; R936-H998 PolarHBondContact NH2-ND1 3.49Å; R936-H998 VanDerWaalsContact NH2-ND1 3.11Å; C992-H998 CarbonylContact C-O 3.55Å; C992-H998 VanDerWaalsContact CA-O 3.29Å; C992-H998 WeakPolarHBondContact CA-O 3.45Å; D993-H998 PolarHBondContact N-O 3.2Å; D996-H998 VanDerWaalsContact C-N 3.34Å; D996-H998 WeakPolarHBondContact OD1-CB 3.37Å; D996-H998 IonicContact OD1-CD2 3.39Å; D996-H998 PolarHBondContact OD1-CD2 3.06Å; D996-H998 IonicContact OD1-CG 2.91Å; D996-H998 PolarHBondContact OD1-N 3.1Å; D996-H998 IonicContact OD2-CD2 3.7Å; D996-H998 PolarHBondContact OD2-CD2 3.49Å; D996-H998 IonicContact OD2-CG 2.79Å; D996-H998 IonicContact OD2-NE2 3.57Å
999	L	64.6	Low	64.2	Low	33 Å²	33	25 Å²	25	17%	0.173	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-85.8	116.3	-179.9	-55.9	177.5	0	0	0	110.7	D929 I930 T931 P990 V991 C992	D929-L999 WeakPolarHBondContact CA-O 3.14Å; D929-L999 VanDerWaalsContact OD1-O 3.14Å; I930-L999 HydrophobicContact CD1-CB 3.81Å; I930-L999 HydrophobicContact CD1-CD1 4.1Å; I930-L999 HydrophobicContact CG1-CB 3.54Å; I930-L999 HydrophobicContact CG1-CD1 4.48Å; I930-L999 VanDerWaalsContact CG1-O 3.23Å; I930-L999 WeakPolarHBondContact CG1-O 3.4Å; I930-L999 PolarHBondContact N-O 3.48Å; T931-L999 WeakPolarHBondContact OG1-CB 3.09Å; T931-L999 PolarHBondContact OG1-N 2.99Å; P990-L999 HydrophobicContact CB-CB 4.17Å; P990-L999 HydrophobicContact CB-CD1 4.25Å; P990-L999 HydrophobicContact CB-CD2 4.07Å; P990-L999 HydrophobicContact CB-CG 4.39Å; P990-L999 HydrophobicContact CG-CD1 4.15Å; P990-L999 HydrophobicContact CG-CD2 3.86Å; P990-L999 HydrophobicContact CG-CG 4.48Å; V991-L999 VanDerWaalsContact O-CA 3.23Å; V991-L999 WeakPolarHBondContact O-CA 3.46Å; V991-L999 WeakPolarHBondContact O-CD2 3.36Å; C992-L999 HydrophobicContact CB-CD2 4.18Å
1000	L	62.1	Low	65.7	Low	2 Å²	2	23.9 Å²	23.9	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	156.6	178.2	-43.7	175.3	0	0	0	111.6	T928 D929 V991 D993	T928-L1000 CarbonylContact O-C 3.57Å; T928-L1000 VanDerWaalsContact O-CA 3.28Å; T928-L1000 WeakPolarHBondContact O-CA 3.26Å; D929-L1000 HydrophobicContact CB-CD2 3.76Å; V991-L1000 HydrophobicContact CB-CB 3.63Å; V991-L1000 HydrophobicContact CB-CG 4.37Å; V991-L1000 WeakPolarHBondContact CB-O 3.39Å; V991-L1000 HydrophobicContact CG1-CB 3.76Å; V991-L1000 HydrophobicContact CG1-CD1 4.1Å; V991-L1000 HydrophobicContact CG1-CG 4.06Å; V991-L1000 VanDerWaalsContact CG2-C 3.45Å; V991-L1000 HydrophobicContact CG2-CB 3.85Å; V991-L1000 WeakPolarHBondContact CG2-O 3.04Å; V991-L1000 PolarHBondContact N-O 3.08Å; V991-L1000 VanDerWaalsContact N-O 3.14Å; D993-L1000 HydrophobicContact CB-CD1 4.32Å
1001	L	64.7	Low	67.1	Low	16 Å²	16	22.1 Å²	22.1	8%	0.084	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	173.9	175.5	-65.6	-170.5	0	0	0	109.8	T927 T928 I930 A949 T983 G1003 Y1005	T927-L1001 WeakPolarHBondContact CA-O 3.21Å; T927-L1001 WeakPolarHBondContact CB-O 3.41Å; T928-L1001 PolarHBondContact N-O 3.22Å; T928-L1001 PolarHBondContact O-N 3.45Å; I930-L1001 HydrophobicContact CD1-CG 4.43Å; I930-L1001 HydrophobicContact CG2-CD1 3.26Å; I930-L1001 HydrophobicContact CG2-CG 3.63Å; A949-L1001 CarbonylContact O-C 3.09Å; A949-L1001 VanDerWaalsContact O-C 3.26Å; T983-L1001 HydrophobicContact CG2-CD2 3.01Å; T983-L1001 WeakPolarHBondContact O-CA 2.93Å; T983-L1001 VanDerWaalsContact O-CD2 3.32Å; T983-L1001 WeakPolarHBondContact O-CD2 3.48Å; L1001-G1003 PolarHBondContact O-N 3.18Å; L1001-Y1005 HydrophobicContact CB-CD2 4.38Å; L1001-Y1005 HydrophobicContact CD1-CD2 4.36Å; L1001-Y1005 HydrophobicContact CD1-CE2 4.15Å
1002	D	67.2	Low	68.2	Low	5 Å²	5	23.4 Å²	23.4	3%	0.027	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	133.7	171.9	-166.2	-41.4	0	0	0	111.3	S851 T928 A949 S952 T983 L984 G1004	S851-D1002 WeakPolarHBondContact CB-OD2 3.38Å; S851-D1002 PolarHBondContact OG-OD2 2.55Å; S851-D1002 VanDerWaalsContact OG-OD2 3.12Å; T928-D1002 WeakPolarHBondContact CB-O 3.19Å; T928-D1002 PolarHBondContact OG1-O 2.96Å; A949-D1002 PolarHBondContact O-N 3.49Å; S952-D1002 PolarHBondContact N-OD2 2.64Å; T983-D1002 PolarHBondContact O-N 3Å; L984-D1002 HydrophobicContact CD1-CB 3.11Å; D1002-G1004 PolarHBondContact O-N 3.23Å; D1002-G1004 PolarHBondContact OD1-N 2.89Å
1003	G	67	Low	69.3	Low	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.7	178.8	0	0	0	0	0	113.7	I926 L1001 Y1005 V1006 N1007	I926-G1003 WeakPolarHBondContact O-CA 3.48Å; L1001-G1003 PolarHBondContact O-N 3.18Å; G1003-Y1005 PolarHBondContact O-N 3.05Å; G1003-Y1005 VanDerWaalsContact O-N 3.16Å; G1003-V1006 PolarHBondContact O-N 3.22Å; G1003-N1007 CarbonylContact O-C 3.56Å; G1003-N1007 PolarHBondContact O-N 3.45Å
1004	G	70.7	Confident	70.6	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-22.2	-178.3	0	0	0	0	0	114.5	D1002 Y1073	D1002-G1004 PolarHBondContact O-N 3.23Å; D1002-G1004 PolarHBondContact OD1-N 2.89Å; G1004-Y1073 WeakPolarHBondContact O-CD1 3.44Å; G1004-Y1073 VanDerWaalsContact O-CE1 3.22Å; G1004-Y1073 WeakPolarHBondContact O-CE1 3.47Å
1005	Y	66.6	Low	71.9	Confident	25 Å²	25	23 Å²	23	10%	0.098	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-42.7	174.9	-78.5	-59.1	0	0	0	113	L984 L1001 G1003 A1072 Y1073	L984-Y1005 HydrophobicContact CD1-CD2 3.91Å; L984-Y1005 HydrophobicContact CD1-CE2 3.2Å; L984-Y1005 HydrophobicContact CD2-CE1 4.44Å; L984-Y1005 HydrophobicContact CD2-CE2 3.99Å; L984-Y1005 WeakPolarHBondContact CD2-OH 3.46Å; L984-Y1005 HydrophobicContact CG-CD2 4.49Å; L984-Y1005 HydrophobicContact CG-CE2 3.37Å; L984-Y1005 VanDerWaalsContact CG-CZ 3.48Å; L984-Y1005 WeakPolarHBondContact CG-OH 3.35Å; L1001-Y1005 HydrophobicContact CB-CD2 4.38Å; L1001-Y1005 HydrophobicContact CD1-CD2 4.36Å; L1001-Y1005 HydrophobicContact CD1-CE2 4.15Å; G1003-Y1005 PolarHBondContact O-N 3.05Å; G1003-Y1005 VanDerWaalsContact O-N 3.16Å; Y1005-A1072 HydrophobicContact CD1-CB 3.59Å; Y1005-A1072 HydrophobicContact CE1-CB 3.51Å; Y1005-Y1073 HydrophobicContact CD1-CE1 4.4Å; Y1005-Y1073 HydrophobicContact CD1-CE2 4.25Å; Y1005-Y1073 HydrophobicContact CE1-CE2 4.07Å
1006	V	71.8	Confident	73	Confident	39 Å²	39	21.1 Å²	21.1	24%	0.236	11%	0.114	C	C	.	.	H	α-helix	trans	-90.3	-47.5	-179.8	-176.5	0	0	0	0	110	T928 M935 G1003 C1076 Q1079	T928-V1006 HydrophobicContact CG2-CG2 3.54Å; T928-V1006 WeakPolarHBondContact OG1-CG2 3.37Å; M935-V1006 HydrophobicContact CB-CB 4.41Å; M935-V1006 HydrophobicContact CB-CG1 3.86Å; M935-V1006 HydrophobicContact CG-CG1 4.34Å; M935-V1006 HydrophobicContact SD-CG1 4.39Å; G1003-V1006 PolarHBondContact O-N 3.22Å; V1006-C1076 WeakPolarHBondContact O-CA 3.38Å; V1006-Q1079 PolarHBondContact O-OE1 3.22Å
1007	N	79.3	Confident	74	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-152.6	98.9	-175.1	-169.9	-11.9	0	0	0	111.2	V850 M935 G1003 L1009 P1010 D1012 Q1079	V850-N1007 WeakPolarHBondContact CG2-O 3.23Å; M935-N1007 HydrophobicContact SD-CB 3.88Å; G1003-N1007 CarbonylContact O-C 3.56Å; G1003-N1007 PolarHBondContact O-N 3.45Å; N1007-L1009 VanDerWaalsContact C-N 3.32Å; N1007-L1009 PolarHBondContact OD1-N 3.15Å; N1007-L1009 PolarHBondContact OD1-O 2.67Å; N1007-P1010 WeakPolarHBondContact ND2-CA 3.49Å; N1007-P1010 WeakPolarHBondContact OD1-CA 3.48Å; N1007-D1012 PolarHBondContact ND2-OD1 3.19Å; N1007-D1012 PolarHBondContact ND2-OD2 3.5Å; N1007-Q1079 PolarHBondContact ND2-NE2 3.29Å
1008	N	83	Confident	74.8	Confident	25 Å²	25	17.5 Å²	17.5	13%	0.134	9%	0.089	C	C	.	.	S	Bend	trans	-77.2	-15.5	179	-166.4	45.8	0	0	0	113.8	G821 G822 C1076	G821-N1008 VanDerWaalsContact CA-O 3.23Å; G821-N1008 WeakPolarHBondContact CA-O 3.33Å; G822-N1008 WeakPolarHBondContact CA-OD1 3.29Å; G822-N1008 PolarHBondContact N-OD1 2.79Å; G822-N1008 PolarHBondContact O-ND2 3.36Å; N1008-C1076 PolarHBondContact N-SG 2.82Å
1009	L	88	Confident	75.7	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.08	C	C	.	.	S	Bend	trans	-142.4	81.4	-178.7	-166.3	74.2	0	0	0	110.9	I819 N1007 A1011 A1024 V1025 D1026 L1080 V1083 Y1091	I819-L1009 HydrophobicContact CG2-CD1 3.81Å; I819-L1009 HydrophobicContact CG2-CG 4.28Å; N1007-L1009 VanDerWaalsContact C-N 3.32Å; N1007-L1009 PolarHBondContact OD1-N 3.15Å; N1007-L1009 PolarHBondContact OD1-O 2.67Å; L1009-A1011 PolarHBondContact O-N 3.38Å; L1009-A1024 HydrophobicContact CD1-CB 4.02Å; L1009-A1024 HydrophobicContact CD2-CB 3.71Å; L1009-A1024 HydrophobicContact CG-CB 3.92Å; L1009-V1025 WeakPolarHBondContact CD1-O 3.37Å; L1009-D1026 HydrophobicContact CD2-CB 4.32Å; L1009-L1080 HydrophobicContact CB-CD1 3.86Å; L1009-L1080 HydrophobicContact CD2-CD1 3.55Å; L1009-L1080 HydrophobicContact CG-CD1 4.37Å; L1009-V1083 HydrophobicContact CD2-CG1 4.28Å; L1009-Y1091 HydrophobicContact CD2-CD2 3.78Å; L1009-Y1091 HydrophobicContact CD2-CE2 3.81Å
1010	P	85.4	Confident	76.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.			trans	-80.6	56.1	-163.7	32	-39.1	0	0	0	116.4	I819 V850 F924 I926 N1007 D1012 V1013 M1014	I819-P1010 VanDerWaalsContact CD1-C 3.46Å; I819-P1010 VanDerWaalsContact CD1-O 3.3Å; I819-P1010 WeakPolarHBondContact CD1-O 3.43Å; I819-P1010 HydrophobicContact CG2-CG 4.06Å; V850-P1010 HydrophobicContact CG2-CG 3.83Å; F924-P1010 HydrophobicContact CE2-CB 4.34Å; F924-P1010 HydrophobicContact CE2-CG 4.07Å; F924-P1010 HydrophobicContact CZ-CG 4.42Å; I926-P1010 HydrophobicContact CD1-CB 3.15Å; I926-P1010 HydrophobicContact CD1-CG 3.59Å; I926-P1010 HydrophobicContact CG1-CB 4.3Å; I926-P1010 HydrophobicContact CG1-CG 4.27Å; N1007-P1010 WeakPolarHBondContact ND2-CA 3.49Å; N1007-P1010 WeakPolarHBondContact OD1-CA 3.48Å; P1010-D1012 VanDerWaalsContact C-N 3.31Å; P1010-D1012 WeakPolarHBondContact CA-OD1 3.48Å; P1010-V1013 HydrophobicContact CB-CB 4.11Å; P1010-V1013 HydrophobicContact CB-CG2 4.07Å; P1010-V1013 PolarHBondContact O-N 3.05Å; P1010-M1014 PolarHBondContact O-N 2.8Å
1011	A	86.3	Confident	77.7	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.2	-30.5	178.3	0	0	0	0	0	113.8	I819 L1009 R1015 V1022 V1083 Y1088	I819-A1011 HydrophobicContact CD1-CB 3.78Å; L1009-A1011 PolarHBondContact O-N 3.38Å; A1011-R1015 VanDerWaalsContact O-CB 3.27Å; A1011-R1015 WeakPolarHBondContact O-CB 3.13Å; A1011-R1015 PolarHBondContact O-N 3.24Å; A1011-V1022 HydrophobicContact CB-CG1 3.95Å; A1011-V1083 HydrophobicContact CB-CB 4.33Å; A1011-V1083 HydrophobicContact CB-CG1 3.42Å; A1011-V1083 VanDerWaalsContact CB-CG1 3.42Å; A1011-V1083 HydrophobicContact CB-CG2 3.93Å; A1011-Y1088 HydrophobicContact CB-CE2 4.34Å
1012	D	81.9	Confident	78.9	Confident	28 Å²	28	18.9 Å²	18.9	15%	0.15	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-46.1	169.7	62.4	-45.8	0	0	0	111.9	N1007 P1010 R1015 S1016 Q1079	N1007-D1012 PolarHBondContact ND2-OD1 3.19Å; N1007-D1012 PolarHBondContact ND2-OD2 3.5Å; P1010-D1012 VanDerWaalsContact C-N 3.31Å; P1010-D1012 WeakPolarHBondContact CA-OD1 3.48Å; D1012-R1015 WeakPolarHBondContact O-CB 3.44Å; D1012-R1015 PolarHBondContact O-N 3.05Å; D1012-S1016 PolarHBondContact O-N 2.75Å; D1012-Q1079 PolarHBondContact OD2-NE2 2.84Å
1013	V	82.4	Confident	80.1	Confident	6 Å²	6	18.7 Å²	18.7	4%	0.036	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-46.2	176.3	-179.5	0	0	0	0	109.9	F924 I926 M935 V937 P1010 R1015 S1016 L1017	F924-V1013 HydrophobicContact CD2-CG1 4.36Å; F924-V1013 HydrophobicContact CE2-CB 4.22Å; F924-V1013 HydrophobicContact CE2-CG1 3.83Å; F924-V1013 HydrophobicContact CZ-CB 4.32Å; F924-V1013 HydrophobicContact CZ-CG1 4.09Å; I926-V1013 HydrophobicContact CD1-CB 4.34Å; I926-V1013 HydrophobicContact CD1-CG2 3.83Å; M935-V1013 HydrophobicContact CE-CG2 3.56Å; M935-V1013 HydrophobicContact SD-CG2 4.1Å; V937-V1013 HydrophobicContact CG1-CG1 4.1Å; V937-V1013 HydrophobicContact CG2-CG1 3.72Å; V937-V1013 HydrophobicContact CG2-CG2 4.45Å; P1010-V1013 HydrophobicContact CB-CB 4.11Å; P1010-V1013 HydrophobicContact CB-CG2 4.07Å; P1010-V1013 PolarHBondContact O-N 3.05Å; V1013-R1015 VanDerWaalsContact C-N 3.28Å; V1013-R1015 PolarHBondContact O-N 3.48Å; V1013-S1016 WeakPolarHBondContact O-CA 3.49Å; V1013-S1016 WeakPolarHBondContact O-CB 3.21Å; V1013-S1016 PolarHBondContact O-N 3.43Å; V1013-S1016 PolarHBondContact O-OG 2.81Å; V1013-L1017 WeakPolarHBondContact O-CG 3.45Å; V1013-L1017 PolarHBondContact O-N 2.84Å
1014	M	84.4	Confident	81.3	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57	-43.1	175.2	-174.4	70.7	97	0	0	112	L818 I819 I846 F924 P1010 S1016 L1017 V1019 V1022	L818-M1014 WeakPolarHBondContact O-CE 3.41Å; I819-M1014 HydrophobicContact CD1-CB 3.53Å; I819-M1014 HydrophobicContact CD1-CE 4.35Å; I819-M1014 HydrophobicContact CD1-CG 4.05Å; I819-M1014 HydrophobicContact CG1-CB 4.21Å; I819-M1014 HydrophobicContact CG1-CE 3.64Å; I819-M1014 HydrophobicContact CG1-CG 4.31Å; I846-M1014 HydrophobicContact CB-SD 4.21Å; I846-M1014 HydrophobicContact CD1-SD 4.08Å; I846-M1014 HydrophobicContact CG1-CE 4.24Å; I846-M1014 HydrophobicContact CG1-SD 3.82Å; I846-M1014 HydrophobicContact CG2-CE 4.02Å; I846-M1014 HydrophobicContact CG2-SD 3.43Å; I846-M1014 WeakPolarHBondContact CG2-SD 3.26Å; I846-M1014 WeakPolarHBondContact O-CE 3.24Å; F924-M1014 HydrophobicContact CE1-CB 4.34Å; F924-M1014 HydrophobicContact CE1-CE 3.98Å; F924-M1014 HydrophobicContact CE1-SD 3.7Å; F924-M1014 HydrophobicContact CZ-CB 4.23Å; F924-M1014 HydrophobicContact CZ-SD 4.44Å; P1010-M1014 PolarHBondContact O-N 2.8Å; M1014-S1016 VanDerWaalsContact C-N 3.3Å; M1014-S1016 PolarHBondContact O-N 2.86Å; M1014-L1017 PolarHBondContact O-N 3.48Å; M1014-V1019 HydrophobicContact CG-CB 3.92Å; M1014-V1019 HydrophobicContact CG-CG1 4.05Å; M1014-V1019 HydrophobicContact CG-CG2 3.82Å; M1014-V1019 WeakPolarHBondContact O-CB 3.32Å; M1014-V1019 VanDerWaalsContact O-CG2 3.3Å; M1014-V1019 WeakPolarHBondContact O-CG2 3.43Å; M1014-V1019 HydrophobicContact SD-CB 4.45Å; M1014-V1019 HydrophobicContact SD-CG2 3.71Å; M1014-V1022 HydrophobicContact CB-CG2 4.21Å; M1014-V1022 HydrophobicContact CG-CG1 4.33Å; M1014-V1022 HydrophobicContact CG-CG2 3.77Å
1015	R	81.8	Confident	82.4	Confident	100 Å²	100	18.7 Å²	18.7	38%	0.377	9%	0.089	S	C	.	.	H	α-helix	trans	-62.7	-38.9	175.2	-179.3	58.1	174	175.9	-0.7	111.5	A1011 D1012 V1013 L1017 G1018 V1019 R1020 Y1088	A1011-R1015 VanDerWaalsContact O-CB 3.27Å; A1011-R1015 WeakPolarHBondContact O-CB 3.13Å; A1011-R1015 PolarHBondContact O-N 3.24Å; D1012-R1015 WeakPolarHBondContact O-CB 3.44Å; D1012-R1015 PolarHBondContact O-N 3.05Å; V1013-R1015 VanDerWaalsContact C-N 3.28Å; V1013-R1015 PolarHBondContact O-N 3.48Å; R1015-L1017 PolarHBondContact O-N 3.36Å; R1015-G1018 PolarHBondContact O-N 2.8Å; R1015-V1019 VanDerWaalsContact CD-O 3.22Å; R1015-V1019 WeakPolarHBondContact CD-O 3.35Å; R1015-V1019 PolarHBondContact NH1-O 3.39Å; R1015-R1020 PolarHBondContact NH1-O 2.77Å; R1015-Y1088 HydrophobicContact CB-CD2 4.35Å; R1015-Y1088 HydrophobicContact CB-CE2 3.81Å; R1015-Y1088 HydrophobicContact CG-CD1 4.48Å; R1015-Y1088 HydrophobicContact CG-CD2 4.42Å; R1015-Y1088 HydrophobicContact CG-CE1 4.19Å; R1015-Y1088 HydrophobicContact CG-CE2 4.15Å
1016	S	73.1	Confident	83.6	Confident	11 Å²	11	17.6 Å²	17.6	8%	0.077	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-28.1	178	81.3	0	0	0	0	113.6	H609 A614 D1012 V1013 M1014 G1018	H609-S1016 WeakPolarHBondContact O-CB 3.35Å; A614-S1016 WeakPolarHBondContact CB-O 3.08Å; D1012-S1016 PolarHBondContact O-N 2.75Å; V1013-S1016 WeakPolarHBondContact O-CA 3.49Å; V1013-S1016 WeakPolarHBondContact O-CB 3.21Å; V1013-S1016 PolarHBondContact O-N 3.43Å; V1013-S1016 PolarHBondContact O-OG 2.81Å; M1014-S1016 VanDerWaalsContact C-N 3.3Å; M1014-S1016 PolarHBondContact O-N 2.86Å; S1016-G1018 PolarHBondContact O-N 3.41Å
1017	L	75.1	Confident	84.2	Confident	9 Å²	9	15.9 Å²	15.9	5%	0.047	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.4	176.7	-52.1	-167.3	0	0	0	112.7	E611 H615 I846 F924 V1013 M1014 R1015	E611-L1017 HydrophobicContact CG-CD2 4.33Å; E611-L1017 WeakPolarHBondContact OE2-CD2 3.41Å; H615-L1017 PolarHBondContact CD2-O 2.81Å; H615-L1017 VanDerWaalsContact CD2-O 3.29Å; H615-L1017 PolarHBondContact N-O 3.16Å; H615-L1017 VanDerWaalsContact N-O 3.16Å; I846-L1017 HydrophobicContact CD1-CD1 3.58Å; F924-L1017 HydrophobicContact CD1-CD1 3.85Å; F924-L1017 HydrophobicContact CE1-CD1 4.04Å; V1013-L1017 WeakPolarHBondContact O-CG 3.45Å; V1013-L1017 PolarHBondContact O-N 2.84Å; M1014-L1017 PolarHBondContact O-N 3.48Å; R1015-L1017 PolarHBondContact O-N 3.36Å
1018	G	72.2	Confident	84.2	Confident	17 Å²	17	16.1 Å²	16.1	18%	0.175	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.5	13.3	-177.2	0	0	0	0	0	114.2	R1015 S1016	R1015-G1018 PolarHBondContact O-N 2.8Å; S1016-G1018 PolarHBondContact O-N 3.41Å
1019	V	81.9	Confident	83.6	Confident	3 Å²	3	18.1 Å²	18.1	2%	0.018	10%	0.097	C	C	.	.			trans	-72.9	131.8	178.7	179.4	0	0	0	0	111.2	S815 G817 I846 M1014 R1015 T1021 V1022	S815-V1019 WeakPolarHBondContact O-CG1 3.3Å; S815-V1019 WeakPolarHBondContact OG-CA 3.35Å; G817-V1019 VanDerWaalsContact N-CG1 3.34Å; I846-V1019 HydrophobicContact CG2-CG2 3.44Å; I846-V1019 VanDerWaalsContact CG2-CG2 3.44Å; M1014-V1019 HydrophobicContact CG-CB 3.92Å; M1014-V1019 HydrophobicContact CG-CG1 4.05Å; M1014-V1019 HydrophobicContact CG-CG2 3.82Å; M1014-V1019 WeakPolarHBondContact O-CB 3.32Å; M1014-V1019 VanDerWaalsContact O-CG2 3.3Å; M1014-V1019 WeakPolarHBondContact O-CG2 3.43Å; M1014-V1019 HydrophobicContact SD-CB 4.45Å; M1014-V1019 HydrophobicContact SD-CG2 3.71Å; R1015-V1019 VanDerWaalsContact CD-O 3.22Å; R1015-V1019 WeakPolarHBondContact CD-O 3.35Å; R1015-V1019 PolarHBondContact NH1-O 3.39Å; V1019-T1021 VanDerWaalsContact CG1-O 3.28Å; V1019-T1021 WeakPolarHBondContact CG1-O 3.29Å; V1019-V1022 HydrophobicContact CB-CG2 4.5Å; V1019-V1022 HydrophobicContact CG1-CG2 3.96Å
1020	R	81.7	Confident	82.5	Confident	116 Å²	116	21.9 Å²	21.9	44%	0.438	12%	0.12	S	C	.	.	S	Bend	trans	-75.1	-54	179.9	-175.6	177.6	172.8	95	0.9	111.8	S813 S815 R1015	S813-R1020 WeakPolarHBondContact O-CB 3.5Å; S815-R1020 PolarHBondContact O-N 3.24Å; S815-R1020 VanDerWaalsContact O-N 3.16Å; R1015-R1020 PolarHBondContact NH1-O 2.77Å
1021	T	86.4	Confident	81.4	Confident	7 Å²	7	26.2 Å²	26.2	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127	-168.9	-64.3	0	0	0	0	109.1	S815 I816 G817 V1019 F1134 F1135	S815-T1021 PolarHBondContact O-N 3.21Å; I816-T1021 CarbonylContact C-O 3.6Å; I816-T1021 WeakPolarHBondContact CA-O 3.01Å; G817-T1021 PolarHBondContact N-O 2.93Å; V1019-T1021 VanDerWaalsContact CG1-O 3.28Å; V1019-T1021 WeakPolarHBondContact CG1-O 3.29Å; T1021-F1134 HydrophobicContact CG2-CD1 3.58Å; T1021-F1134 HydrophobicContact CG2-CE1 3.07Å; T1021-F1134 HydrophobicContact CG2-CE2 4.42Å; T1021-F1134 HydrophobicContact CG2-CG 4.44Å; T1021-F1134 HydrophobicContact CG2-CZ 3.55Å; T1021-F1134 PolarHBondContact OG1-O 3.45Å; T1021-F1135 HydrophobicContact CG2-CD1 4.32Å; T1021-F1135 HydrophobicContact CG2-CE1 4.1Å
1022	V	90	Very high	80.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	-177.1	-179.3	0	0	0	0	109.7	G817 I819 A1011 M1014 V1019 A1024 Y1088 C1089 R1090	G817-V1022 WeakPolarHBondContact O-CA 3.34Å; I819-V1022 HydrophobicContact CD1-CG1 3.37Å; I819-V1022 HydrophobicContact CG1-CG1 3.88Å; A1011-V1022 HydrophobicContact CB-CG1 3.95Å; M1014-V1022 HydrophobicContact CB-CG2 4.21Å; M1014-V1022 HydrophobicContact CG-CG1 4.33Å; M1014-V1022 HydrophobicContact CG-CG2 3.77Å; V1019-V1022 HydrophobicContact CB-CG2 4.5Å; V1019-V1022 HydrophobicContact CG1-CG2 3.96Å; V1022-A1024 HydrophobicContact CG1-CB 4.41Å; V1022-Y1088 HydrophobicContact CB-CD2 4.2Å; V1022-Y1088 HydrophobicContact CB-CE2 4.47Å; V1022-Y1088 HydrophobicContact CG2-CD2 3.91Å; V1022-Y1088 HydrophobicContact CG2-CE2 4.14Å; V1022-Y1088 PolarHBondContact N-O 2.9Å; V1022-C1089 CarbonylContact O-C 3.59Å; V1022-C1089 WeakPolarHBondContact O-CA 3.33Å; V1022-R1090 PolarHBondContact O-N 3.08Å
1023	I	92.7	Very high	79.3	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	113.6	167.7	-57.5	176.9	0	0	0	106.8	I816 G817 L818 I819 I837 I842 L1092 F1135	I816-I1023 HydrophobicContact CG2-CD1 4.48Å; G817-I1023 PolarHBondContact O-N 3.3Å; L818-I1023 WeakPolarHBondContact CA-O 3.4Å; L818-I1023 HydrophobicContact CD1-CB 4.19Å; L818-I1023 HydrophobicContact CD1-CG2 4.13Å; I819-I1023 PolarHBondContact N-O 3.12Å; I837-I1023 HydrophobicContact CD1-CD1 4.33Å; I837-I1023 HydrophobicContact CD1-CG2 4.29Å; I842-I1023 HydrophobicContact CG2-CD1 4.3Å; I1023-L1092 HydrophobicContact CG2-CD1 3.78Å; I1023-F1135 HydrophobicContact CD1-CE1 4.14Å; I1023-F1135 HydrophobicContact CD1-CZ 4.06Å
1024	A	92.5	Very high	78.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.6	-175	0	0	0	0	0	110.4	I819 L1009 V1022 C1089 R1090 L1092	I819-A1024 HydrophobicContact CB-CB 4.34Å; L1009-A1024 HydrophobicContact CD1-CB 4.02Å; L1009-A1024 HydrophobicContact CD2-CB 3.71Å; L1009-A1024 HydrophobicContact CG-CB 3.92Å; V1022-A1024 HydrophobicContact CG1-CB 4.41Å; A1024-C1089 VanDerWaalsContact CB-SG 3.54Å; A1024-R1090 PolarHBondContact N-O 3.37Å; A1024-L1092 PolarHBondContact O-N 3.35Å
1025	V	93.6	Very high	77.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.7	-177.9	-170.2	0	0	0	0	109.6	L818 I819 L820 G821 H830 V833 L1009 V1027 L1092 P1094	L818-V1025 HydrophobicContact CD1-CG2 4.1Å; I819-V1025 PolarHBondContact O-N 2.88Å; L820-V1025 HydrophobicContact CD2-CB 4.24Å; L820-V1025 HydrophobicContact CD2-CG2 4.17Å; G821-V1025 PolarHBondContact N-O 3.43Å; H830-V1025 PolarHBondContact CE1-O 3.31Å; H830-V1025 VanDerWaalsContact ND1-CG1 3.3Å; H830-V1025 WeakPolarHBondContact ND1-CG1 3.33Å; V833-V1025 HydrophobicContact CB-CG2 4.34Å; V833-V1025 HydrophobicContact CG1-CG2 3.73Å; V833-V1025 HydrophobicContact CG2-CG1 4.04Å; L1009-V1025 WeakPolarHBondContact CD1-O 3.37Å; V1025-V1027 HydrophobicContact CG1-CG1 4.42Å; V1025-L1092 WeakPolarHBondContact CA-O 3.47Å; V1025-P1094 HydrophobicContact CG1-CG 4.42Å
1026	D	91.3	Very high	76.9	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.223	C	C	.	.			trans	-102.4	123.5	178.6	-177.5	14	0	0	0	111.1	L1009 G1028 Y1091 L1092 R1093	L1009-D1026 HydrophobicContact CD2-CB 4.32Å; D1026-G1028 PolarHBondContact OD1-N 3.07Å; D1026-Y1091 HydrophobicContact CB-CD2 4.38Å; D1026-Y1091 HydrophobicContact CB-CE2 3.38Å; D1026-Y1091 WeakPolarHBondContact CB-OH 3.26Å; D1026-Y1091 PolarHBondContact OD2-OH 3.28Å; D1026-L1092 PolarHBondContact N-O 2.81Å; D1026-R1093 IonicContact OD2-NH1 3.08Å; D1026-R1093 PolarHBondContact OD2-NH1 2.84Å
1027	V	86	Confident	76.7	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	26%	0.26	C	S	.	.			trans	-121.4	15.6	178.2	-64.5	0	0	0	0	111.6	G821 R826 A829 H830 V1025 I1096	G821-V1027 WeakPolarHBondContact O-CG2 3.45Å; R826-V1027 HydrophobicContact CB-CB 4.14Å; R826-V1027 WeakPolarHBondContact CD-O 3.35Å; A829-V1027 HydrophobicContact CB-CG1 4.1Å; H830-V1027 VanDerWaalsContact CE1-CG1 3.43Å; H830-V1027 WeakPolarHBondContact CE1-CG1 3.47Å; H830-V1027 VanDerWaalsContact NE2-CG2 3.27Å; H830-V1027 WeakPolarHBondContact NE2-CG2 3.35Å; V1025-V1027 HydrophobicContact CG1-CG1 4.42Å; V1027-I1096 HydrophobicContact CB-CD1 3.83Å; V1027-I1096 HydrophobicContact CG1-CD1 3.71Å
1028	G	78	Confident	76.5	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.5	163.6	-179	0	0	0	0	0	113.5	G822 R826 D1026 R1093	G822-G1028 WeakPolarHBondContact O-CA 3.01Å; G822-G1028 PolarHBondContact O-N 3.07Å; R826-G1028 PolarHBondContact NH1-O 3.49Å; D1026-G1028 PolarHBondContact OD1-N 3.07Å; G1028-R1093 PolarHBondContact O-NH2 3.3Å
1029	A	71	Confident	76.5	Confident	67 Å²	67	53.3 Å²	53.3	55%	0.554	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-68.9	142.4	174	0	0	0	0	0	111.7
1030	V	65.4	Low	76.3	Confident	81 Å²	81	61.4 Å²	61.4	49%	0.491	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-74.6	130.4	164.5	175.5	0	0	0	0	107.8	E1032 D1097	V1030-E1032 PolarHBondContact O-N 3.26Å; V1030-D1097 HydrophobicContact CG2-CB 4.49Å; V1030-D1097 VanDerWaalsContact CG2-CG 3.43Å; V1030-D1097 VanDerWaalsContact CG2-OD1 3.29Å; V1030-D1097 WeakPolarHBondContact CG2-OD1 3.38Å; V1030-D1097 WeakPolarHBondContact CG2-OD2 3.42Å
1031	E	62.5	Low	75.7	Confident	91 Å²	91	61.6 Å²	61.6	43%	0.425	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.9	124	171.4	-67.3	-174	-164.1	0	0	110.1	T1033 R1070	E1031-T1033 PolarHBondContact O-N 2.79Å; E1031-R1070 IonicContact OE2-NH1 3.53Å; E1031-R1070 PolarHBondContact OE2-NH1 2.89Å
1032	E	60.5	Low	75.1	Confident	96 Å²	96	64.6 Å²	64.6	45%	0.449	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-66.2	122.7	170.5	-74.4	-176	-147.7	0	0	109.9	V1030 F1035 R1060 R1070	V1030-E1032 PolarHBondContact O-N 3.26Å; E1032-F1035 WeakPolarHBondContact O-CE2 3.31Å; E1032-R1060 IonicContact OE1-CZ 2.8Å; E1032-R1060 IonicContact OE1-NH1 2.64Å; E1032-R1060 PolarHBondContact OE1-NH1 3.1Å; E1032-R1060 IonicContact OE2-CZ 3.78Å; E1032-R1060 IonicContact OE2-NE 3.15Å; E1032-R1060 IonicContact OE2-NH1 2.72Å; E1032-R1060 PolarHBondContact OE2-NH1 2.95Å; E1032-R1070 PolarHBondContact O-NH1 3.3Å; E1032-R1070 PolarHBondContact O-NH2 3.01Å
1033	T	61.9	Low	74.7	Confident	113 Å²	113	67.6 Å²	67.6	69%	0.693	38%	0.384	S	S	*	.			trans	-99.8	-6.8	175.6	51	0	0	0	0	112.9	E1031 F1035	E1031-T1033 PolarHBondContact O-N 2.79Å; T1033-F1035 PolarHBondContact O-N 3.26Å
1034	N	64.2	Low	74	Confident	141 Å²	141	70.2 Å²	70.2	75%	0.754	41%	0.411	S	S	*	.			trans	-78.6	62.5	-177.1	-73.9	-9.3	0	0	0	112.4
1035	F	67.8	Low	73.6	Confident	61 Å²	61	80.1 Å²	80.1	27%	0.268	45%	0.449	S	S	.	.			trans	-91	148.8	170.4	-63.5	-67.5	0	0	0	111.4	E1032 T1033 N1037 M1062 R1070	E1032-F1035 WeakPolarHBondContact O-CE2 3.31Å; T1033-F1035 PolarHBondContact O-N 3.26Å; F1035-N1037 PolarHBondContact O-N 3.48Å; F1035-M1062 HydrophobicContact CD1-CB 4.13Å; F1035-M1062 HydrophobicContact CE1-CB 3.75Å; F1035-M1062 HydrophobicContact CE1-CG 3.98Å; F1035-M1062 HydrophobicContact CE1-SD 4.09Å; F1035-M1062 HydrophobicContact CE2-SD 3.92Å; F1035-M1062 HydrophobicContact CZ-CB 4.12Å; F1035-M1062 HydrophobicContact CZ-CG 3.97Å; F1035-M1062 HydrophobicContact CZ-SD 3.46Å; F1035-M1062 WeakPolarHBondContact CZ-SD 3.13Å; F1035-R1070 VanDerWaalsContact CE2-CZ 3.46Å; F1035-R1070 VanDerWaalsContact CE2-NH2 3.27Å
1036	A	67.2	Low	73	Confident	17 Å²	17	84.7 Å²	84.7	14%	0.14	47%	0.466	C	S	.	.			trans	-67	129	173.6	0	0	0	0	0	110.7	Y1038 F1059 R1060	A1036-Y1038 VanDerWaalsContact O-CD1 3.3Å; A1036-Y1038 WeakPolarHBondContact O-CD1 3.46Å; A1036-Y1038 PolarHBondContact O-N 2.94Å; A1036-F1059 HydrophobicContact CB-CB 3.69Å; A1036-F1059 HydrophobicContact CB-CD1 3.67Å; A1036-F1059 HydrophobicContact CB-CG 4.09Å; A1036-R1060 PolarHBondContact N-O 3.08Å; A1036-R1060 VanDerWaalsContact N-O 3.09Å
1037	N	68.9	Low	72.4	Confident	157 Å²	157	86.9 Å²	86.9	84%	0.84	48%	0.48	S	S	*	.			trans	-75.6	105.3	166.6	-176	-4	0	0	0	108.8	F1035 G1039	F1035-N1037 PolarHBondContact O-N 3.48Å; N1037-G1039 PolarHBondContact OD1-N 3.33Å; N1037-G1039 VanDerWaalsContact OD1-N 3.07Å
1038	Y	71.6	Confident	72.1	Confident	114 Å²	114	90.8 Å²	90.8	45%	0.447	50%	0.5	S	S	.	.			trans	-98.4	6.2	179.2	52.7	-101.5	0	0	0	113.3	A1036 L1042 V1061	A1036-Y1038 VanDerWaalsContact O-CD1 3.3Å; A1036-Y1038 WeakPolarHBondContact O-CD1 3.46Å; A1036-Y1038 PolarHBondContact O-N 2.94Å; Y1038-L1042 HydrophobicContact CD1-CD1 3.89Å; Y1038-L1042 HydrophobicContact CD2-CB 3.72Å; Y1038-L1042 HydrophobicContact CD2-CD1 3.98Å; Y1038-L1042 HydrophobicContact CD2-CG 4.4Å; Y1038-L1042 HydrophobicContact CE2-CB 3.86Å; Y1038-L1042 HydrophobicContact CG-CB 4.24Å; Y1038-L1042 HydrophobicContact CG-CD1 3.58Å; Y1038-L1042 HydrophobicContact CG-CG 4.44Å; Y1038-V1061 HydrophobicContact CD1-CG1 4.19Å; Y1038-V1061 HydrophobicContact CD1-CG2 4.23Å; Y1038-V1061 HydrophobicContact CE1-CG1 3.91Å
1039	G	71.7	Confident	72.2	Confident	40 Å²	40	98.6 Å²	98.6	41%	0.412	53%	0.527	S	S	.	.			trans	76.2	-158.2	-175.4	0	0	0	0	0	113.6	N1037 T1041	N1037-G1039 PolarHBondContact OD1-N 3.33Å; N1037-G1039 VanDerWaalsContact OD1-N 3.07Å; G1039-T1041 VanDerWaalsContact C-N 3.31Å; G1039-T1041 PolarHBondContact O-N 2.9Å
1040	D	77.9	Confident	72.6	Confident	174 Å²	174	96.4 Å²	96.4	93%	0.93	51%	0.506	S	S	*	.	S	Bend	trans	-76.9	-14.9	-173.6	-59	-30.6	0	0	0	113.8
1041	T	68.1	Low	73.2	Confident	119 Å²	119	101.2 Å²	101.2	73%	0.73	52%	0.52	S	S	*	.			trans	-138.1	133.1	-178.1	61.8	0	0	0	0	111.9	G1039	G1039-T1041 VanDerWaalsContact C-N 3.31Å; G1039-T1041 PolarHBondContact O-N 2.9Å
1042	L	74.9	Confident	74	Confident	70 Å²	70	102.5 Å²	102.5	37%	0.366	53%	0.529	S	S	.	.			trans	-108.8	114.8	176.2	-176.8	73.4	0	0	0	111.1	Y1038 W1046 V1047 V1061	Y1038-L1042 HydrophobicContact CD1-CD1 3.89Å; Y1038-L1042 HydrophobicContact CD2-CB 3.72Å; Y1038-L1042 HydrophobicContact CD2-CD1 3.98Å; Y1038-L1042 HydrophobicContact CD2-CG 4.4Å; Y1038-L1042 HydrophobicContact CE2-CB 3.86Å; Y1038-L1042 HydrophobicContact CG-CB 4.24Å; Y1038-L1042 HydrophobicContact CG-CD1 3.58Å; Y1038-L1042 HydrophobicContact CG-CG 4.44Å; L1042-W1046 HydrophobicContact CD1-CE3 4.19Å; L1042-W1046 HydrophobicContact CD1-CZ3 4.25Å; L1042-V1047 HydrophobicContact CD1-CG2 3.6Å; L1042-V1047 HydrophobicContact CD2-CG2 3.98Å; L1042-V1047 HydrophobicContact CG-CG2 3.83Å; L1042-V1061 HydrophobicContact CD1-CG1 4.39Å; L1042-V1061 HydrophobicContact CD1-CG2 4.11Å; L1042-V1061 HydrophobicContact CD2-CG1 3.66Å
1043	S	80.6	Confident	74.9	Confident	64 Å²	64	99.9 Å²	99.9	45%	0.448	52%	0.518	S	S	.	.			trans	-79.5	122.7	173	174.6	0	0	0	0	111.3	W1045 W1046 V1047	S1043-W1045 PolarHBondContact O-N 3.35Å; S1043-W1045 PolarHBondContact OG-N 3.26Å; S1043-W1046 WeakPolarHBondContact O-CB 3.36Å; S1043-W1046 PolarHBondContact O-N 2.9Å; S1043-V1047 PolarHBondContact O-N 2.82Å; S1043-V1047 VanDerWaalsContact O-N 3.12Å
1044	G	78.4	Confident	75.5	Confident	56 Å²	56	99.8 Å²	99.8	58%	0.577	52%	0.519	S	S	*	.	H	α-helix	trans	-59.8	-33.9	175.1	0	0	0	0	0	113.3	V1047 L1048	G1044-V1047 PolarHBondContact O-N 2.89Å; G1044-L1048 WeakPolarHBondContact O-CB 3.4Å; G1044-L1048 PolarHBondContact O-N 2.84Å
1045	W	83.1	Confident	76.2	Confident	209 Å²	209	104.4 Å²	104.4	79%	0.792	53%	0.526	S	S	*	.	H	α-helix	trans	-66	-36.9	174.1	-72.9	112.3	0	0	0	112.2	S1043 L1048 W1049	S1043-W1045 PolarHBondContact O-N 3.35Å; S1043-W1045 PolarHBondContact OG-N 3.26Å; W1045-L1048 HydrophobicContact CE3-CD2 4.14Å; W1045-L1048 HydrophobicContact CZ3-CD2 4.06Å; W1045-L1048 PolarHBondContact O-N 2.85Å; W1045-W1049 VanDerWaalsContact O-CB 3.23Å; W1045-W1049 WeakPolarHBondContact O-CB 3.46Å; W1045-W1049 PolarHBondContact O-N 3.49Å
1046	W	81.6	Confident	76.2	Confident	96 Å²	96	102.5 Å²	102.5	36%	0.364	52%	0.521	S	S	.	.	H	α-helix	trans	-67.5	-42.3	176.5	-178.1	86.5	0	0	0	111.8	L1042 S1043 W1049 N1050 F1059	L1042-W1046 HydrophobicContact CD1-CE3 4.19Å; L1042-W1046 HydrophobicContact CD1-CZ3 4.25Å; S1043-W1046 WeakPolarHBondContact O-CB 3.36Å; S1043-W1046 PolarHBondContact O-N 2.9Å; W1046-W1049 PolarHBondContact O-N 3.48Å; W1046-N1050 VanDerWaalsContact CD2-ND2 3.3Å; W1046-N1050 WeakPolarHBondContact CH2-ND2 3.18Å; W1046-N1050 WeakPolarHBondContact CZ2-ND2 3.28Å; W1046-N1050 WeakPolarHBondContact O-CB 3.37Å; W1046-N1050 PolarHBondContact O-N 3.39Å; W1046-F1059 HydrophobicContact CH2-CB 4.01Å; W1046-F1059 AromaticContact CH2-CD2 3.74Å; W1046-F1059 HydrophobicContact CH2-CD2 3.74Å; W1046-F1059 HydrophobicContact CH2-CE2 4.36Å; W1046-F1059 AromaticContact CH2-CG 3.87Å; W1046-F1059 HydrophobicContact CH2-CG 3.87Å; W1046-F1059 AromaticContact CZ2-CD2 3.89Å; W1046-F1059 HydrophobicContact CZ2-CD2 3.89Å; W1046-F1059 HydrophobicContact CZ2-CE2 4.13Å; W1046-F1059 HydrophobicContact CZ2-CG 4.44Å; W1046-F1059 HydrophobicContact CZ3-CB 4.47Å
1047	V	79	Confident	76.1	Confident	49 Å²	49	109.8 Å²	109.8	30%	0.297	55%	0.55	S	S	.	*	H	α-helix	trans	-62	-45.8	174.3	178	0	0	0	0	110.9	L1042 S1043 G1044 N1050 K1051 V1061	L1042-V1047 HydrophobicContact CD1-CG2 3.6Å; L1042-V1047 HydrophobicContact CD2-CG2 3.98Å; L1042-V1047 HydrophobicContact CG-CG2 3.83Å; S1043-V1047 PolarHBondContact O-N 2.82Å; S1043-V1047 VanDerWaalsContact O-N 3.12Å; G1044-V1047 PolarHBondContact O-N 2.89Å; V1047-N1050 PolarHBondContact O-N 3.26Å; V1047-K1051 VanDerWaalsContact O-CB 3.29Å; V1047-K1051 WeakPolarHBondContact O-CB 3.36Å; V1047-K1051 PolarHBondContact O-N 2.78Å; V1047-V1061 HydrophobicContact CG2-CG2 4.44Å
1048	L	80.3	Confident	75.8	Confident	83 Å²	83	111.1 Å²	111.1	44%	0.435	55%	0.551	S	S	.	*	H	α-helix	trans	-63.1	-45.5	178.6	-175.8	64.2	0	0	0	111.4	G1044 W1045 K1051 I1052	G1044-L1048 WeakPolarHBondContact O-CB 3.4Å; G1044-L1048 PolarHBondContact O-N 2.84Å; W1045-L1048 HydrophobicContact CE3-CD2 4.14Å; W1045-L1048 HydrophobicContact CZ3-CD2 4.06Å; W1045-L1048 PolarHBondContact O-N 2.85Å; L1048-K1051 PolarHBondContact O-N 3.13Å; L1048-I1052 HydrophobicContact CD1-CD1 3.73Å; L1048-I1052 HydrophobicContact CD1-CG1 4.32Å; L1048-I1052 HydrophobicContact CG-CD1 3.81Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.5Å; L1048-I1052 PolarHBondContact O-N 2.98Å
1049	W	79.8	Confident	75.6	Confident	172 Å²	172	110.4 Å²	110.4	65%	0.652	55%	0.551	S	S	*	*	H	α-helix	trans	-60.4	-47.1	177.5	-176.3	-103.6	0	0	0	111.7	W1045 W1046 K1051 I1052 N1053	W1045-W1049 VanDerWaalsContact O-CB 3.23Å; W1045-W1049 WeakPolarHBondContact O-CB 3.46Å; W1045-W1049 PolarHBondContact O-N 3.49Å; W1046-W1049 PolarHBondContact O-N 3.48Å; W1049-K1051 VanDerWaalsContact C-N 3.29Å; W1049-K1051 PolarHBondContact O-N 2.91Å; W1049-I1052 PolarHBondContact O-N 3.31Å; W1049-N1053 WeakPolarHBondContact O-CB 3.41Å; W1049-N1053 PolarHBondContact O-N 3.45Å
1050	N	79.1	Confident	75.5	Confident	22 Å²	22	113.9 Å²	113.9	12%	0.118	55%	0.551	C	S	.	*	H	α-helix	trans	-67	-29.4	177.1	-75.9	-21	0	0	0	113.3	W1046 V1047	W1046-N1050 VanDerWaalsContact CD2-ND2 3.3Å; W1046-N1050 WeakPolarHBondContact CH2-ND2 3.18Å; W1046-N1050 WeakPolarHBondContact CZ2-ND2 3.28Å; W1046-N1050 WeakPolarHBondContact O-CB 3.37Å; W1046-N1050 PolarHBondContact O-N 3.39Å; V1047-N1050 PolarHBondContact O-N 3.26Å
1051	K	77.8	Confident	75.2	Confident	181 Å²	181	107 Å²	107	79%	0.787	52%	0.515	S	S	*	.	H	α-helix	trans	-73.5	-32.3	175.9	-169.6	174.2	-178.1	178.6	0	112.4	V1047 L1048 W1049	V1047-K1051 VanDerWaalsContact O-CB 3.29Å; V1047-K1051 WeakPolarHBondContact O-CB 3.36Å; V1047-K1051 PolarHBondContact O-N 2.78Å; L1048-K1051 PolarHBondContact O-N 3.13Å; W1049-K1051 VanDerWaalsContact C-N 3.29Å; W1049-K1051 PolarHBondContact O-N 2.91Å
1052	I	79.6	Confident	75.3	Confident	119 Å²	119	103.9 Å²	103.9	61%	0.61	49%	0.493	S	S	*	.	H	α-helix	trans	-89.7	-29.7	-179.6	-62.5	170.4	0	0	0	111.7	L1048 W1049 P1054	L1048-I1052 HydrophobicContact CD1-CD1 3.73Å; L1048-I1052 HydrophobicContact CD1-CG1 4.32Å; L1048-I1052 HydrophobicContact CG-CD1 3.81Å; L1048-I1052 WeakPolarHBondContact O-CG1 3.5Å; L1048-I1052 PolarHBondContact O-N 2.98Å; W1049-I1052 PolarHBondContact O-N 3.31Å; I1052-P1054 WeakPolarHBondContact O-CD 3.09Å
1053	N	79	Confident	75.2	Confident	41 Å²	41	104.3 Å²	104.3	22%	0.219	50%	0.496	C	S	.	.			trans	-79.3	107	-177.9	-176.6	1.9	0	0	0	111.4	W1049 W1055 A1056	W1049-N1053 WeakPolarHBondContact O-CB 3.41Å; W1049-N1053 PolarHBondContact O-N 3.45Å; N1053-W1055 PolarHBondContact O-N 3.49Å; N1053-W1055 PolarHBondContact OD1-N 2.87Å; N1053-A1056 HydrophobicContact CB-CB 3.95Å; N1053-A1056 PolarHBondContact O-N 2.92Å
1054	P	75	Confident	74.5	Confident	110 Å²	110	107.6 Å²	107.6	71%	0.714	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.6	-179.6	29.2	-35	0	0	0	113.5	I1052	I1052-P1054 WeakPolarHBondContact O-CD 3.09Å
1055	W	78.8	Confident	73.9	Confident	239 Å²	239	107.1 Å²	107.1	91%	0.905	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.9	178	-57.1	-49.5	0	0	0	113.7	N1053	N1053-W1055 PolarHBondContact O-N 3.49Å; N1053-W1055 PolarHBondContact OD1-N 2.87Å
1056	A	68.8	Low	73.2	Confident	20 Å²	20	99.4 Å²	99.4	17%	0.165	47%	0.469	C	S	.	.	S	Bend	trans	-72.8	147.4	175.4	0	0	0	0	0	110.6	N1053 Q1058	N1053-A1056 HydrophobicContact CB-CB 3.95Å; N1053-A1056 PolarHBondContact O-N 2.92Å; A1056-Q1058 PolarHBondContact O-N 2.7Å
1057	K	63.8	Low	72.5	Confident	171 Å²	171	98 Å²	98	74%	0.743	47%	0.468	S	S	*	.			trans	-56.3	124.5	164.5	-77.8	-176.9	178.1	179.5	0	107.8	F1059	K1057-F1059 HydrophobicContact CB-CD2 4.4Å; K1057-F1059 HydrophobicContact CB-CE2 3.75Å; K1057-F1059 HydrophobicContact CB-CZ 3.83Å; K1057-F1059 HydrophobicContact CD-CZ 4.4Å; K1057-F1059 WeakPolarHBondContact O-CD2 3.34Å; K1057-F1059 WeakPolarHBondContact O-CE2 3.47Å; K1057-F1059 PolarHBondContact O-N 2.84Å
1058	Q	62.9	Low	71.8	Confident	185 Å²	185	100.9 Å²	100.9	86%	0.864	48%	0.478	S	S	*	.			trans	-69.6	105.6	179.2	-71.7	-175.2	-5.6	0	0	109.3	A1056	A1056-Q1058 PolarHBondContact O-N 2.7Å
1059	F	67.3	Low	71.1	Confident	99 Å²	99	98.3 Å²	98.3	43%	0.434	47%	0.468	S	S	.	.			trans	-95	117.1	173.5	-65.8	-72.8	0	0	0	109.1	A1036 W1046 K1057 V1061	A1036-F1059 HydrophobicContact CB-CB 3.69Å; A1036-F1059 HydrophobicContact CB-CD1 3.67Å; A1036-F1059 HydrophobicContact CB-CG 4.09Å; W1046-F1059 HydrophobicContact CH2-CB 4.01Å; W1046-F1059 AromaticContact CH2-CD2 3.74Å; W1046-F1059 HydrophobicContact CH2-CD2 3.74Å; W1046-F1059 HydrophobicContact CH2-CE2 4.36Å; W1046-F1059 AromaticContact CH2-CG 3.87Å; W1046-F1059 HydrophobicContact CH2-CG 3.87Å; W1046-F1059 AromaticContact CZ2-CD2 3.89Å; W1046-F1059 HydrophobicContact CZ2-CD2 3.89Å; W1046-F1059 HydrophobicContact CZ2-CE2 4.13Å; W1046-F1059 HydrophobicContact CZ2-CG 4.44Å; W1046-F1059 HydrophobicContact CZ3-CB 4.47Å; K1057-F1059 HydrophobicContact CB-CD2 4.4Å; K1057-F1059 HydrophobicContact CB-CE2 3.75Å; K1057-F1059 HydrophobicContact CB-CZ 3.83Å; K1057-F1059 HydrophobicContact CD-CZ 4.4Å; K1057-F1059 WeakPolarHBondContact O-CD2 3.34Å; K1057-F1059 WeakPolarHBondContact O-CE2 3.47Å; K1057-F1059 PolarHBondContact O-N 2.84Å; F1059-V1061 PolarHBondContact O-N 2.71Å
1060	R	69.3	Low	70.6	Confident	113 Å²	113	93 Å²	93	43%	0.426	45%	0.447	S	S	.	.			trans	-86.2	111.5	173	-170.6	175.7	-177.8	168.7	0.1	108.9	E1032 A1036 E1066	E1032-R1060 IonicContact OE1-CZ 2.8Å; E1032-R1060 IonicContact OE1-NH1 2.64Å; E1032-R1060 PolarHBondContact OE1-NH1 3.1Å; E1032-R1060 IonicContact OE2-CZ 3.78Å; E1032-R1060 IonicContact OE2-NE 3.15Å; E1032-R1060 IonicContact OE2-NH1 2.72Å; E1032-R1060 PolarHBondContact OE2-NH1 2.95Å; A1036-R1060 PolarHBondContact N-O 3.08Å; A1036-R1060 VanDerWaalsContact N-O 3.09Å; R1060-E1066 IonicContact CZ-OE1 2.69Å; R1060-E1066 IonicContact NE-OE1 3.47Å; R1060-E1066 IonicContact NH2-OE1 3.33Å; R1060-E1066 PolarHBondContact NH2-OE1 3.38Å
1061	V	71.6	Confident	70.1	Confident	29 Å²	29	97.7 Å²	97.7	18%	0.176	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-101.8	139	168.6	-176	0	0	0	0	108.2	Y1038 L1042 V1047 F1059 N1063	Y1038-V1061 HydrophobicContact CD1-CG1 4.19Å; Y1038-V1061 HydrophobicContact CD1-CG2 4.23Å; Y1038-V1061 HydrophobicContact CE1-CG1 3.91Å; L1042-V1061 HydrophobicContact CD1-CG1 4.39Å; L1042-V1061 HydrophobicContact CD1-CG2 4.11Å; L1042-V1061 HydrophobicContact CD2-CG1 3.66Å; V1047-V1061 HydrophobicContact CG2-CG2 4.44Å; F1059-V1061 PolarHBondContact O-N 2.71Å; V1061-N1063 PolarHBondContact O-N 3.38Å
1062	M	71.5	Confident	69.6	Low	53 Å²	53	91 Å²	91	26%	0.261	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-63.6	127.4	-179.6	-160.2	155.4	56.2	0	0	110.2	F1035 E1066 I1067 R1070	F1035-M1062 HydrophobicContact CD1-CB 4.13Å; F1035-M1062 HydrophobicContact CE1-CB 3.75Å; F1035-M1062 HydrophobicContact CE1-CG 3.98Å; F1035-M1062 HydrophobicContact CE1-SD 4.09Å; F1035-M1062 HydrophobicContact CE2-SD 3.92Å; F1035-M1062 HydrophobicContact CZ-CB 4.12Å; F1035-M1062 HydrophobicContact CZ-CG 3.97Å; F1035-M1062 HydrophobicContact CZ-SD 3.46Å; F1035-M1062 WeakPolarHBondContact CZ-SD 3.13Å; M1062-E1066 WeakPolarHBondContact CA-OE2 3.37Å; M1062-E1066 HydrophobicContact CG-CB 3.35Å; M1062-E1066 HydrophobicContact CG-CG 4.44Å; M1062-E1066 WeakPolarHBondContact CG-OE2 3.3Å; M1062-E1066 HydrophobicContact SD-CB 4.11Å; M1062-I1067 HydrophobicContact CB-CG1 4.13Å; M1062-I1067 HydrophobicContact CE-CB 4.36Å; M1062-I1067 HydrophobicContact CE-CG1 3.65Å; M1062-I1067 HydrophobicContact CG-CG1 3.82Å; M1062-I1067 HydrophobicContact SD-CG1 4.35Å; M1062-R1070 HydrophobicContact SD-CG 4.26Å; M1062-R1070 PolarHBondContact SD-NE 3.5Å; M1062-R1070 VanDerWaalsContact SD-NE 3.39Å
1063	N	71.4	Confident	69.3	Low	80 Å²	80	88.5 Å²	88.5	43%	0.428	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-81.3	165.8	177.4	70.7	47.3	0	0	0	111.1	V1061 A1065 E1066 I1067	V1061-N1063 PolarHBondContact O-N 3.38Å; N1063-A1065 PolarHBondContact O-N 3.47Å; N1063-A1065 WeakPolarHBondContact OD1-CA 3.47Å; N1063-A1065 WeakPolarHBondContact OD1-CB 3.42Å; N1063-A1065 PolarHBondContact OD1-N 2.77Å; N1063-E1066 PolarHBondContact N-OE2 2.83Å; N1063-E1066 VanDerWaalsContact N-OE2 3.12Å; N1063-E1066 PolarHBondContact O-N 3.23Å; N1063-E1066 VanDerWaalsContact O-N 3.11Å; N1063-E1066 WeakPolarHBondContact OD1-CG 3.3Å; N1063-E1066 PolarHBondContact OD1-N 3.32Å; N1063-I1067 WeakPolarHBondContact O-CG1 3.38Å; N1063-I1067 PolarHBondContact O-N 3.33Å
1064	M	67.1	Low	68.9	Low	132 Å²	132	90.9 Å²	90.9	65%	0.65	45%	0.449	S	S	*	.	H	α-helix	trans	-56.6	-37	-178.2	-171.1	61.6	154.7	0	0	113.1	I1067 Q1068	M1064-I1067 PolarHBondContact O-N 3.26Å; M1064-Q1068 WeakPolarHBondContact O-CB 3.41Å; M1064-Q1068 VanDerWaalsContact O-CG 3.32Å; M1064-Q1068 WeakPolarHBondContact O-CG 3.33Å; M1064-Q1068 PolarHBondContact O-N 3.25Å
1065	A	65.4	Low	68.7	Low	47 Å²	47	88.8 Å²	88.8	39%	0.388	44%	0.437	S	S	.	.	H	α-helix	trans	-70.2	-37.5	179	0	0	0	0	0	112.2	N1063 S1069	N1063-A1065 PolarHBondContact O-N 3.47Å; N1063-A1065 WeakPolarHBondContact OD1-CA 3.47Å; N1063-A1065 WeakPolarHBondContact OD1-CB 3.42Å; N1063-A1065 PolarHBondContact OD1-N 2.77Å; A1065-S1069 VanDerWaalsContact O-CB 3.3Å; A1065-S1069 WeakPolarHBondContact O-CB 3.46Å; A1065-S1069 PolarHBondContact O-N 3.49Å
1066	E	68.5	Low	68.5	Low	47 Å²	47	77.7 Å²	77.7	22%	0.22	40%	0.396	C	S	.	.	H	α-helix	trans	-67.3	-41.6	173.8	-72	172.6	167.3	0	0	111.1	R1060 M1062 N1063 S1069 R1070	R1060-E1066 IonicContact CZ-OE1 2.69Å; R1060-E1066 IonicContact NE-OE1 3.47Å; R1060-E1066 IonicContact NH2-OE1 3.33Å; R1060-E1066 PolarHBondContact NH2-OE1 3.38Å; M1062-E1066 WeakPolarHBondContact CA-OE2 3.37Å; M1062-E1066 HydrophobicContact CG-CB 3.35Å; M1062-E1066 HydrophobicContact CG-CG 4.44Å; M1062-E1066 WeakPolarHBondContact CG-OE2 3.3Å; M1062-E1066 HydrophobicContact SD-CB 4.11Å; N1063-E1066 PolarHBondContact N-OE2 2.83Å; N1063-E1066 VanDerWaalsContact N-OE2 3.12Å; N1063-E1066 PolarHBondContact O-N 3.23Å; N1063-E1066 VanDerWaalsContact O-N 3.11Å; N1063-E1066 WeakPolarHBondContact OD1-CG 3.3Å; N1063-E1066 PolarHBondContact OD1-N 3.32Å; E1066-S1069 WeakPolarHBondContact O-CB 3.24Å; E1066-S1069 PolarHBondContact O-N 3.17Å; E1066-R1070 WeakPolarHBondContact O-CG 3.4Å; E1066-R1070 PolarHBondContact O-N 3.28Å
1067	I	67.1	Low	68.8	Low	66 Å²	66	79.1 Å²	79.1	34%	0.338	40%	0.403	S	S	.	.	H	α-helix	trans	-59.7	-51.1	175	-63.7	168.3	0	0	0	110.1	M1062 N1063 M1064 S1069 R1070 L1071	M1062-I1067 HydrophobicContact CB-CG1 4.13Å; M1062-I1067 HydrophobicContact CE-CB 4.36Å; M1062-I1067 HydrophobicContact CE-CG1 3.65Å; M1062-I1067 HydrophobicContact CG-CG1 3.82Å; M1062-I1067 HydrophobicContact SD-CG1 4.35Å; N1063-I1067 WeakPolarHBondContact O-CG1 3.38Å; N1063-I1067 PolarHBondContact O-N 3.33Å; M1064-I1067 PolarHBondContact O-N 3.26Å; I1067-S1069 VanDerWaalsContact C-N 3.33Å; I1067-S1069 PolarHBondContact O-N 2.88Å; I1067-R1070 PolarHBondContact O-N 3.18Å; I1067-L1071 HydrophobicContact CG2-CD1 3.99Å; I1067-L1071 HydrophobicContact CG2-CG 4.41Å; I1067-L1071 WeakPolarHBondContact O-CG 3.16Å; I1067-L1071 PolarHBondContact O-N 3.13Å
1068	Q	64.5	Low	69.4	Low	109 Å²	109	78.2 Å²	78.2	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-41.9	179.2	-74.7	178.4	-25.2	0	0	112.1	M1064 R1070 L1071 A1072	M1064-Q1068 WeakPolarHBondContact O-CB 3.41Å; M1064-Q1068 VanDerWaalsContact O-CG 3.32Å; M1064-Q1068 WeakPolarHBondContact O-CG 3.33Å; M1064-Q1068 PolarHBondContact O-N 3.25Å; Q1068-R1070 PolarHBondContact O-N 3.14Å; Q1068-L1071 PolarHBondContact O-N 2.78Å; Q1068-A1072 PolarHBondContact O-N 3.24Å; Q1068-A1072 VanDerWaalsContact O-N 3.17Å
1069	S	66.1	Low	70.1	Confident	30 Å²	30	71.1 Å²	71.1	21%	0.21	36%	0.362	C	S	.	.	H	α-helix	trans	-56.6	-49.7	174	-176.6	0	0	0	0	110.9	A1065 E1066 I1067 L1071 A1072 Y1073	A1065-S1069 VanDerWaalsContact O-CB 3.3Å; A1065-S1069 WeakPolarHBondContact O-CB 3.46Å; A1065-S1069 PolarHBondContact O-N 3.49Å; E1066-S1069 WeakPolarHBondContact O-CB 3.24Å; E1066-S1069 PolarHBondContact O-N 3.17Å; I1067-S1069 VanDerWaalsContact C-N 3.33Å; I1067-S1069 PolarHBondContact O-N 2.88Å; S1069-L1071 PolarHBondContact O-N 2.85Å; S1069-A1072 WeakPolarHBondContact O-CB 3.11Å; S1069-A1072 PolarHBondContact O-N 2.92Å; S1069-Y1073 VanDerWaalsContact O-CD2 3.24Å; S1069-Y1073 WeakPolarHBondContact O-CD2 3.35Å
1070	R	69	Low	70.9	Confident	60 Å²	60	67.7 Å²	67.7	23%	0.226	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-44.9	179.9	-71.8	-160.9	-171.2	-145	-2.2	113	E1031 E1032 F1035 M1062 E1066 I1067 Q1068 A1072 Y1073 V1074	E1031-R1070 IonicContact OE2-NH1 3.53Å; E1031-R1070 PolarHBondContact OE2-NH1 2.89Å; E1032-R1070 PolarHBondContact O-NH1 3.3Å; E1032-R1070 PolarHBondContact O-NH2 3.01Å; F1035-R1070 VanDerWaalsContact CE2-CZ 3.46Å; F1035-R1070 VanDerWaalsContact CE2-NH2 3.27Å; M1062-R1070 HydrophobicContact SD-CG 4.26Å; M1062-R1070 PolarHBondContact SD-NE 3.5Å; M1062-R1070 VanDerWaalsContact SD-NE 3.39Å; E1066-R1070 WeakPolarHBondContact O-CG 3.4Å; E1066-R1070 PolarHBondContact O-N 3.28Å; I1067-R1070 PolarHBondContact O-N 3.18Å; Q1068-R1070 PolarHBondContact O-N 3.14Å; R1070-A1072 PolarHBondContact O-N 3.08Å; R1070-Y1073 PolarHBondContact O-N 2.71Å; R1070-V1074 WeakPolarHBondContact O-CG2 3.28Å; R1070-V1074 PolarHBondContact O-N 3.08Å
1071	L	68.4	Low	71.5	Confident	121 Å²	121	67 Å²	67	63%	0.634	35%	0.349	S	S	*	.	H	α-helix	trans	-56.3	-35.4	177.8	-73.6	173	0	0	0	111.9	I1067 Q1068 S1069 Y1073	I1067-L1071 HydrophobicContact CG2-CD1 3.99Å; I1067-L1071 HydrophobicContact CG2-CG 4.41Å; I1067-L1071 WeakPolarHBondContact O-CG 3.16Å; I1067-L1071 PolarHBondContact O-N 3.13Å; Q1068-L1071 PolarHBondContact O-N 2.78Å; S1069-L1071 PolarHBondContact O-N 2.85Å; L1071-Y1073 VanDerWaalsContact C-N 3.31Å; L1071-Y1073 PolarHBondContact O-N 3.04Å
1072	A	67.1	Low	71.8	Confident	41 Å²	41	70.5 Å²	70.5	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-68.8	-24.7	178.1	0	0	0	0	0	113.9	Y1005 Q1068 S1069 R1070	Y1005-A1072 HydrophobicContact CD1-CB 3.59Å; Y1005-A1072 HydrophobicContact CE1-CB 3.51Å; Q1068-A1072 PolarHBondContact O-N 3.24Å; Q1068-A1072 VanDerWaalsContact O-N 3.17Å; S1069-A1072 WeakPolarHBondContact O-CB 3.11Å; S1069-A1072 PolarHBondContact O-N 2.92Å; R1070-A1072 PolarHBondContact O-N 3.08Å
1073	Y	72.1	Confident	72.2	Confident	66 Å²	66	68.1 Å²	68.1	26%	0.259	35%	0.352	S	S	.	.	H	α-helix	trans	-98.7	-4.7	179.5	-72	-80.5	0	0	0	114.2	G1004 Y1005 S1069 R1070 L1071 S1075 C1076 V1077	G1004-Y1073 WeakPolarHBondContact O-CD1 3.44Å; G1004-Y1073 VanDerWaalsContact O-CE1 3.22Å; G1004-Y1073 WeakPolarHBondContact O-CE1 3.47Å; Y1005-Y1073 HydrophobicContact CD1-CE1 4.4Å; Y1005-Y1073 HydrophobicContact CD1-CE2 4.25Å; Y1005-Y1073 HydrophobicContact CE1-CE2 4.07Å; S1069-Y1073 VanDerWaalsContact O-CD2 3.24Å; S1069-Y1073 WeakPolarHBondContact O-CD2 3.35Å; R1070-Y1073 PolarHBondContact O-N 2.71Å; L1071-Y1073 VanDerWaalsContact C-N 3.31Å; L1071-Y1073 PolarHBondContact O-N 3.04Å; Y1073-S1075 VanDerWaalsContact C-N 3.31Å; Y1073-S1075 PolarHBondContact O-N 2.85Å; Y1073-C1076 HydrophobicContact CD1-CB 4.47Å; Y1073-C1076 WeakPolarHBondContact O-CA 3.28Å; Y1073-C1076 WeakPolarHBondContact O-CB 3.26Å; Y1073-C1076 PolarHBondContact O-N 3.41Å; Y1073-V1077 WeakPolarHBondContact O-CG2 3.3Å; Y1073-V1077 PolarHBondContact O-N 2.99Å
1074	V	70.7	Confident	72.9	Confident	90 Å²	90	68.5 Å²	68.5	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-55.2	-44	-175.3	173.3	0	0	0	0	112.4	R1070 V1077 R1078	R1070-V1074 WeakPolarHBondContact O-CG2 3.28Å; R1070-V1074 PolarHBondContact O-N 3.08Å; V1074-V1077 PolarHBondContact O-N 2.9Å; V1074-R1078 PolarHBondContact O-N 3.27Å
1075	S	70.9	Confident	73.6	Confident	66 Å²	66	70 Å²	70	46%	0.462	35%	0.353	S	S	.	.	H	α-helix	trans	-64.6	-42.7	177.5	-171.9	0	0	0	0	111.8	Y1073 V1077 R1078 Q1079	Y1073-S1075 VanDerWaalsContact C-N 3.31Å; Y1073-S1075 PolarHBondContact O-N 2.85Å; S1075-V1077 VanDerWaalsContact C-N 3.34Å; S1075-V1077 PolarHBondContact O-N 3.11Å; S1075-R1078 PolarHBondContact O-N 2.87Å; S1075-Q1079 PolarHBondContact O-N 2.92Å
1076	C	74.2	Confident	74.3	Confident	6 Å²	6	68.5 Å²	68.5	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-62.8	-38.3	177.7	178.3	0	0	0	0	112.1	V1006 N1008 Y1073 Q1079 L1080	V1006-C1076 WeakPolarHBondContact O-CA 3.38Å; N1008-C1076 PolarHBondContact N-SG 2.82Å; Y1073-C1076 HydrophobicContact CD1-CB 4.47Å; Y1073-C1076 WeakPolarHBondContact O-CA 3.28Å; Y1073-C1076 WeakPolarHBondContact O-CB 3.26Å; Y1073-C1076 PolarHBondContact O-N 3.41Å; C1076-Q1079 PolarHBondContact O-N 3.1Å; C1076-L1080 VanDerWaalsContact O-CB 3.31Å; C1076-L1080 WeakPolarHBondContact O-CB 3.27Å; C1076-L1080 PolarHBondContact O-N 3.42Å
1077	V	75.9	Confident	74.7	Confident	51 Å²	51	72.1 Å²	72.1	31%	0.309	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-42.6	-180	173.7	0	0	0	0	111	Y1073 V1074 S1075 L1080 E1081	Y1073-V1077 WeakPolarHBondContact O-CG2 3.3Å; Y1073-V1077 PolarHBondContact O-N 2.99Å; V1074-V1077 PolarHBondContact O-N 2.9Å; S1075-V1077 VanDerWaalsContact C-N 3.34Å; S1075-V1077 PolarHBondContact O-N 3.11Å; V1077-L1080 PolarHBondContact O-N 3.17Å; V1077-E1081 PolarHBondContact O-N 2.94Å
1078	R	77.4	Confident	75.3	Confident	152 Å²	152	71.3 Å²	71.3	57%	0.574	36%	0.361	S	S	*	.	H	α-helix	trans	-59	-49	175.2	-176	179.3	67.3	93.5	-6.5	111.5	V1074 S1075 L1080 E1081 E1082	V1074-R1078 PolarHBondContact O-N 3.27Å; S1075-R1078 PolarHBondContact O-N 2.87Å; R1078-L1080 VanDerWaalsContact C-N 3.31Å; R1078-L1080 PolarHBondContact O-N 2.99Å; R1078-E1081 PolarHBondContact O-N 3.42Å; R1078-E1082 IonicContact CZ-OE1 3.47Å; R1078-E1082 IonicContact NH1-OE1 2.77Å; R1078-E1082 PolarHBondContact NH1-OE1 3.01Å; R1078-E1082 PolarHBondContact O-N 3.48Å; R1078-E1082 VanDerWaalsContact O-N 3.14Å
1079	Q	77.1	Confident	76.3	Confident	35 Å²	35	66.7 Å²	66.7	16%	0.164	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-37.6	179.4	-164.9	166.7	10.8	0	0	111.7	V1006 N1007 D1012 S1075 C1076 E1081 E1082 V1083	V1006-Q1079 PolarHBondContact O-OE1 3.22Å; N1007-Q1079 PolarHBondContact ND2-NE2 3.29Å; D1012-Q1079 PolarHBondContact OD2-NE2 2.84Å; S1075-Q1079 PolarHBondContact O-N 2.92Å; C1076-Q1079 PolarHBondContact O-N 3.1Å; Q1079-E1081 PolarHBondContact O-N 3.41Å; Q1079-E1082 PolarHBondContact O-N 2.94Å; Q1079-V1083 WeakPolarHBondContact O-CG2 3.13Å; Q1079-V1083 PolarHBondContact O-N 3.12Å
1080	L	82.9	Confident	77.4	Confident	28 Å²	28	68.8 Å²	68.8	15%	0.147	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-38.4	174.4	-178.9	64.2	0	0	0	112.4	L1009 C1076 V1077 R1078 V1083 K1084 Y1091	L1009-L1080 HydrophobicContact CB-CD1 3.86Å; L1009-L1080 HydrophobicContact CD2-CD1 3.55Å; L1009-L1080 HydrophobicContact CG-CD1 4.37Å; C1076-L1080 VanDerWaalsContact O-CB 3.31Å; C1076-L1080 WeakPolarHBondContact O-CB 3.27Å; C1076-L1080 PolarHBondContact O-N 3.42Å; V1077-L1080 PolarHBondContact O-N 3.17Å; R1078-L1080 VanDerWaalsContact C-N 3.31Å; R1078-L1080 PolarHBondContact O-N 2.99Å; L1080-V1083 PolarHBondContact O-N 3.27Å; L1080-K1084 HydrophobicContact CG-CD 4.37Å; L1080-K1084 WeakPolarHBondContact O-CB 3.3Å; L1080-K1084 VanDerWaalsContact O-CG 3.26Å; L1080-K1084 WeakPolarHBondContact O-CG 3.31Å; L1080-K1084 PolarHBondContact O-N 3.42Å; L1080-Y1091 HydrophobicContact CD1-CE2 4.15Å
1081	E	82.1	Confident	78.4	Confident	97 Å²	97	68.5 Å²	68.5	45%	0.453	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-37.5	174.6	-74.4	-170.5	-175.3	0	0	112.9	V1077 R1078 Q1079 K1084 K1085	V1077-E1081 PolarHBondContact O-N 2.94Å; R1078-E1081 PolarHBondContact O-N 3.42Å; Q1079-E1081 PolarHBondContact O-N 3.41Å; E1081-K1084 PolarHBondContact O-N 2.93Å; E1081-K1085 WeakPolarHBondContact O-CG 3.18Å; E1081-K1085 PolarHBondContact O-N 3.41Å; E1081-K1085 IonicContact OE2-NZ 3.17Å
1082	E	78.8	Confident	79.5	Confident	104 Å²	104	62.8 Å²	62.8	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-45.9	174.1	-69.4	171	-168	0	0	110.5	R1078 Q1079 K1084 K1085 A1086	R1078-E1082 IonicContact CZ-OE1 3.47Å; R1078-E1082 IonicContact NH1-OE1 2.77Å; R1078-E1082 PolarHBondContact NH1-OE1 3.01Å; R1078-E1082 PolarHBondContact O-N 3.48Å; R1078-E1082 VanDerWaalsContact O-N 3.14Å; Q1079-E1082 PolarHBondContact O-N 2.94Å; E1082-K1084 PolarHBondContact O-N 3.31Å; E1082-K1085 PolarHBondContact O-N 3.45Å; E1082-A1086 PolarHBondContact O-N 3.25Å; E1082-A1086 VanDerWaalsContact O-N 3.12Å
1083	V	80.3	Confident	80.6	Confident	3 Å²	3	64 Å²	64	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-41	176.2	166.8	0	0	0	0	112.3	L1009 A1011 Q1079 L1080 K1085 A1086 C1089	L1009-V1083 HydrophobicContact CD2-CG1 4.28Å; A1011-V1083 HydrophobicContact CB-CB 4.33Å; A1011-V1083 HydrophobicContact CB-CG1 3.42Å; A1011-V1083 VanDerWaalsContact CB-CG1 3.42Å; A1011-V1083 HydrophobicContact CB-CG2 3.93Å; Q1079-V1083 WeakPolarHBondContact O-CG2 3.13Å; Q1079-V1083 PolarHBondContact O-N 3.12Å; L1080-V1083 PolarHBondContact O-N 3.27Å; V1083-K1085 VanDerWaalsContact C-N 3.26Å; V1083-K1085 PolarHBondContact O-N 2.76Å; V1083-A1086 WeakPolarHBondContact O-CB 3.06Å; V1083-A1086 PolarHBondContact O-N 3.04Å; V1083-C1089 HydrophobicContact CG1-CB 4.37Å
1084	K	84.6	Confident	81.6	Confident	88 Å²	88	60.9 Å²	60.9	38%	0.383	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-33	177.4	-79.1	170.1	177.2	174.5	0	112.9	L1080 E1081 E1082 Y1091	L1080-K1084 HydrophobicContact CG-CD 4.37Å; L1080-K1084 WeakPolarHBondContact O-CB 3.3Å; L1080-K1084 VanDerWaalsContact O-CG 3.26Å; L1080-K1084 WeakPolarHBondContact O-CG 3.31Å; L1080-K1084 PolarHBondContact O-N 3.42Å; E1081-K1084 PolarHBondContact O-N 2.93Å; E1082-K1084 PolarHBondContact O-N 3.31Å; K1084-Y1091 HydrophobicContact CD-CE1 4.49Å; K1084-Y1091 HydrophobicContact CD-CE2 4.5Å; K1084-Y1091 VanDerWaalsContact CE-OH 3.28Å; K1084-Y1091 WeakPolarHBondContact CE-OH 3.24Å; K1084-Y1091 HydrophobicContact CG-CD1 4.23Å; K1084-Y1091 HydrophobicContact CG-CD2 3.91Å; K1084-Y1091 HydrophobicContact CG-CE1 4.36Å; K1084-Y1091 HydrophobicContact CG-CE2 4.06Å; K1084-Y1091 HydrophobicContact CG-CG 4Å
1085	K	82	Confident	82.5	Confident	162 Å²	162	60.4 Å²	60.4	70%	0.704	30%	0.296	S	S	*	.	H	α-helix	trans	-86.9	-11.3	-179.9	-67.9	168.3	-174.4	163.3	0	112.4	E1081 E1082 V1083	E1081-K1085 WeakPolarHBondContact O-CG 3.18Å; E1081-K1085 PolarHBondContact O-N 3.41Å; E1081-K1085 IonicContact OE2-NZ 3.17Å; E1082-K1085 PolarHBondContact O-N 3.45Å; V1083-K1085 VanDerWaalsContact C-N 3.26Å; V1083-K1085 PolarHBondContact O-N 2.76Å
1086	A	79.9	Confident	83.3	Confident	16 Å²	16	57.3 Å²	57.3	13%	0.132	27%	0.274	C	S	.	.			trans	-74	131	-172.9	0	0	0	0	0	112.3	E1082 V1083 Y1088 C1089	E1082-A1086 PolarHBondContact O-N 3.25Å; E1082-A1086 VanDerWaalsContact O-N 3.12Å; V1083-A1086 WeakPolarHBondContact O-CB 3.06Å; V1083-A1086 PolarHBondContact O-N 3.04Å; A1086-Y1088 VanDerWaalsContact C-N 3.26Å; A1086-Y1088 HydrophobicContact CB-CD1 3.83Å; A1086-Y1088 HydrophobicContact CB-CE1 3.44Å; A1086-Y1088 VanDerWaalsContact CB-CE1 3.44Å; A1086-Y1088 PolarHBondContact O-N 3.23Å; A1086-C1089 HydrophobicContact CB-CB 4.32Å; A1086-C1089 PolarHBondContact O-N 3Å
1087	P	78.4	Confident	83.6	Confident	123 Å²	123	60.3 Å²	60.3	80%	0.799	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-22	-174.8	27.9	-35.6	0	0	0	113.8	C1089	P1087-C1089 VanDerWaalsContact C-N 3.33Å
1088	Y	79.4	Confident	83.9	Confident	49 Å²	49	66.7 Å²	66.7	19%	0.192	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.1	179.3	67.8	-98.3	0	0	0	113.2	A1011 R1015 V1022 A1086	A1011-Y1088 HydrophobicContact CB-CE2 4.34Å; R1015-Y1088 HydrophobicContact CB-CD2 4.35Å; R1015-Y1088 HydrophobicContact CB-CE2 3.81Å; R1015-Y1088 HydrophobicContact CG-CD1 4.48Å; R1015-Y1088 HydrophobicContact CG-CD2 4.42Å; R1015-Y1088 HydrophobicContact CG-CE1 4.19Å; R1015-Y1088 HydrophobicContact CG-CE2 4.15Å; V1022-Y1088 HydrophobicContact CB-CD2 4.2Å; V1022-Y1088 HydrophobicContact CB-CE2 4.47Å; V1022-Y1088 HydrophobicContact CG2-CD2 3.91Å; V1022-Y1088 HydrophobicContact CG2-CE2 4.14Å; V1022-Y1088 PolarHBondContact N-O 2.9Å; A1086-Y1088 VanDerWaalsContact C-N 3.26Å; A1086-Y1088 HydrophobicContact CB-CD1 3.83Å; A1086-Y1088 HydrophobicContact CB-CE1 3.44Å; A1086-Y1088 VanDerWaalsContact CB-CE1 3.44Å; A1086-Y1088 PolarHBondContact O-N 3.23Å
1089	C	85.8	Confident	84.2	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.081	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.5	-170.9	-177.4	0	0	0	0	110.7	V1022 A1024 V1083 A1086 P1087	V1022-C1089 CarbonylContact O-C 3.59Å; V1022-C1089 WeakPolarHBondContact O-CA 3.33Å; A1024-C1089 VanDerWaalsContact CB-SG 3.54Å; V1083-C1089 HydrophobicContact CG1-CB 4.37Å; A1086-C1089 HydrophobicContact CB-CB 4.32Å; A1086-C1089 PolarHBondContact O-N 3Å; P1087-C1089 VanDerWaalsContact C-N 3.33Å
1090	R	88.6	Confident	84.2	Confident	75 Å²	75	64.5 Å²	64.5	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	105.7	168	-169.5	64.9	176.5	-178.6	-3.3	109	V1022 A1024 L1092 L1125 F1134	V1022-R1090 PolarHBondContact O-N 3.08Å; A1024-R1090 PolarHBondContact N-O 3.37Å; R1090-L1092 HydrophobicContact CB-CD1 4.39Å; R1090-L1092 HydrophobicContact CG-CD1 3.79Å; R1090-L1092 WeakPolarHBondContact O-CD1 3.19Å; R1090-L1125 HydrophobicContact CG-CD1 4.41Å; R1090-F1134 HydrophobicContact CB-CE1 4.06Å; R1090-F1134 HydrophobicContact CB-CZ 4.01Å
1091	Y	89.6	Confident	83.6	Confident	54 Å²	54	64.4 Å²	64.4	21%	0.212	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.1	179.5	178.7	-100.3	0	0	0	111	L1009 D1026 L1080 K1084 R1093	L1009-Y1091 HydrophobicContact CD2-CD2 3.78Å; L1009-Y1091 HydrophobicContact CD2-CE2 3.81Å; D1026-Y1091 HydrophobicContact CB-CD2 4.38Å; D1026-Y1091 HydrophobicContact CB-CE2 3.38Å; D1026-Y1091 WeakPolarHBondContact CB-OH 3.26Å; D1026-Y1091 PolarHBondContact OD2-OH 3.28Å; L1080-Y1091 HydrophobicContact CD1-CE2 4.15Å; K1084-Y1091 HydrophobicContact CD-CE1 4.49Å; K1084-Y1091 HydrophobicContact CD-CE2 4.5Å; K1084-Y1091 VanDerWaalsContact CE-OH 3.28Å; K1084-Y1091 WeakPolarHBondContact CE-OH 3.24Å; K1084-Y1091 HydrophobicContact CG-CD1 4.23Å; K1084-Y1091 HydrophobicContact CG-CD2 3.91Å; K1084-Y1091 HydrophobicContact CG-CE1 4.36Å; K1084-Y1091 HydrophobicContact CG-CE2 4.06Å; K1084-Y1091 HydrophobicContact CG-CG 4Å; Y1091-R1093 HydrophobicContact CE1-CB 3.68Å; Y1091-R1093 PolarHBondContact OH-NH1 3.37Å
1092	L	91.4	Very high	83.1	Confident	1 Å²	1	64 Å²	64	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.2	175.4	-77.6	73.5	0	0	0	109	V833 I1023 A1024 V1025 D1026 R1090 V1121	V833-L1092 HydrophobicContact CG1-CD2 3.97Å; I1023-L1092 HydrophobicContact CG2-CD1 3.78Å; A1024-L1092 PolarHBondContact O-N 3.35Å; V1025-L1092 WeakPolarHBondContact CA-O 3.47Å; D1026-L1092 PolarHBondContact N-O 2.81Å; R1090-L1092 HydrophobicContact CB-CD1 4.39Å; R1090-L1092 HydrophobicContact CG-CD1 3.79Å; R1090-L1092 WeakPolarHBondContact O-CD1 3.19Å; L1092-V1121 HydrophobicContact CD1-CG1 4.45Å; L1092-V1121 HydrophobicContact CG-CG1 4.18Å
1093	R	91.3	Very high	83	Confident	66 Å²	66	61.2 Å²	61.2	25%	0.249	29%	0.294	C	S	.	.			trans	-129.6	93.9	175.6	-171.5	-172.6	-175.9	99.2	4.7	110.2	D1026 G1028 Y1091 D1097 H1117	D1026-R1093 IonicContact OD2-NH1 3.08Å; D1026-R1093 PolarHBondContact OD2-NH1 2.84Å; G1028-R1093 PolarHBondContact O-NH2 3.3Å; Y1091-R1093 HydrophobicContact CE1-CB 3.68Å; Y1091-R1093 PolarHBondContact OH-NH1 3.37Å; R1093-D1097 IonicContact NH2-OD1 2.73Å; R1093-H1117 PolarHBondContact O-NE2 3.01Å
1094	P	92.3	Very high	82.8	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	30%	0.301	C	S	.	.			trans	-57.8	141.7	175.7	-23.9	34.3	0	0	0	112.4	A829 V833 V1025 I1096 H1117	A829-P1094 HydrophobicContact CB-CB 4.19Å; A829-P1094 HydrophobicContact CB-CG 4.13Å; V833-P1094 HydrophobicContact CG2-CG 4.18Å; V1025-P1094 HydrophobicContact CG1-CG 4.42Å; P1094-I1096 VanDerWaalsContact C-N 3.27Å; P1094-I1096 HydrophobicContact CB-CG2 4.08Å; P1094-I1096 PolarHBondContact O-N 2.74Å; P1094-H1117 VanDerWaalsContact CA-CD2 3.42Å; P1094-H1117 WeakPolarHBondContact CA-CD2 3.31Å; P1094-H1117 HydrophobicContact CB-CB 4.45Å
1095	P	89.9	Confident	82.6	Confident	79 Å²	79	66.8 Å²	66.8	51%	0.513	32%	0.318	S	S	.	.	S	Bend	trans	-77.4	73.1	-178.1	31.5	-35.6	0	0	0	111.8	I1113	P1095-I1113 HydrophobicContact CG-CG2 3.82Å
1096	I	86.6	Confident	82.7	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	31%	0.305	C	S	.	.			trans	-113.1	15.4	-174.5	63.3	-172.2	0	0	0	113.3	R826 A829 V1027 P1094 R1098 F1099 I1110 I1113	R826-I1096 HydrophobicContact CB-CD1 3.62Å; R826-I1096 HydrophobicContact CB-CG1 4.28Å; R826-I1096 HydrophobicContact CG-CD1 4.24Å; R826-I1096 HydrophobicContact CG-CG1 4.37Å; R826-I1096 WeakPolarHBondContact O-CD1 3.08Å; A829-I1096 HydrophobicContact CB-CD1 3.82Å; A829-I1096 HydrophobicContact CB-CG2 4.32Å; V1027-I1096 HydrophobicContact CB-CD1 3.83Å; V1027-I1096 HydrophobicContact CG1-CD1 3.71Å; P1094-I1096 VanDerWaalsContact C-N 3.27Å; P1094-I1096 HydrophobicContact CB-CG2 4.08Å; P1094-I1096 PolarHBondContact O-N 2.74Å; I1096-R1098 PolarHBondContact O-N 3.19Å; I1096-F1099 HydrophobicContact CB-CD2 4.06Å; I1096-F1099 WeakPolarHBondContact O-CD2 3.33Å; I1096-F1099 PolarHBondContact O-N 3.29Å; I1096-F1099 VanDerWaalsContact O-N 3.1Å; I1096-I1110 HydrophobicContact CG2-CG2 4.12Å; I1096-I1113 HydrophobicContact CG2-CB 4.27Å; I1096-I1113 HydrophobicContact CG2-CG2 3.81Å
1097	D	81.4	Confident	83	Confident	69 Å²	69	64.2 Å²	64.2	37%	0.369	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.9	-175.2	-67.4	-42.1	0	0	0	114.1	R826 V1030 R1093 F1099	R826-D1097 IonicContact NH1-OD1 3.73Å; R826-D1097 PolarHBondContact NH1-OD1 3.44Å; R826-D1097 PolarHBondContact NH2-O 3.38Å; V1030-D1097 HydrophobicContact CG2-CB 4.49Å; V1030-D1097 VanDerWaalsContact CG2-CG 3.43Å; V1030-D1097 VanDerWaalsContact CG2-OD1 3.29Å; V1030-D1097 WeakPolarHBondContact CG2-OD1 3.38Å; V1030-D1097 WeakPolarHBondContact CG2-OD2 3.42Å; R1093-D1097 IonicContact NH2-OD1 2.73Å; D1097-F1099 PolarHBondContact O-N 2.94Å
1098	R	83.1	Confident	83.6	Confident	184 Å²	184	62.2 Å²	62.2	69%	0.694	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.7	174.3	63.6	-179.2	170.4	-178.9	-3.5	114.5	I1096	I1096-R1098 PolarHBondContact O-N 3.19Å
1099	F	83.3	Confident	84.1	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.009	30%	0.296	C	S	.	.	S	Bend	trans	-99.7	139.5	-180	-57.1	-77.9	0	0	0	111	R826 I1096 D1097 R1106 E1109 I1110 I1113	R826-F1099 PolarHBondContact NE-O 3.16Å; R826-F1099 PolarHBondContact NH2-O 3.07Å; I1096-F1099 HydrophobicContact CB-CD2 4.06Å; I1096-F1099 WeakPolarHBondContact O-CD2 3.33Å; I1096-F1099 PolarHBondContact O-N 3.29Å; I1096-F1099 VanDerWaalsContact O-N 3.1Å; D1097-F1099 PolarHBondContact O-N 2.94Å; F1099-R1106 HydrophobicContact CD1-CB 4.41Å; F1099-R1106 HydrophobicContact CE1-CB 4.28Å; F1099-E1109 HydrophobicContact CZ-CB 4.3Å; F1099-I1110 HydrophobicContact CB-CD1 4.07Å; F1099-I1110 HydrophobicContact CB-CG1 4.46Å; F1099-I1110 HydrophobicContact CD1-CD1 4.15Å; F1099-I1110 HydrophobicContact CD1-CG1 4.01Å; F1099-I1110 HydrophobicContact CD2-CD1 4.25Å; F1099-I1110 HydrophobicContact CD2-CG1 3.71Å; F1099-I1110 HydrophobicContact CE1-CG1 4.11Å; F1099-I1110 HydrophobicContact CE2-CG1 3.82Å; F1099-I1110 HydrophobicContact CG-CD1 3.9Å; F1099-I1110 HydrophobicContact CG-CG1 3.8Å; F1099-I1110 HydrophobicContact CZ-CG1 4.01Å; F1099-I1113 HydrophobicContact CE2-CD1 3.47Å; F1099-I1113 VanDerWaalsContact CE2-CD1 3.47Å; F1099-I1113 HydrophobicContact CZ-CD1 3.83Å
1100	Q	77.2	Confident	84.3	Confident	139 Å²	139	64 Å²	64	65%	0.65	29%	0.292	S	S	*	.			trans	-77.7	158.7	173.2	-61.2	-171.2	0.5	0	0	110.7	L1102 D1103	Q1100-L1102 PolarHBondContact O-N 2.77Å; Q1100-L1102 VanDerWaalsContact O-N 3.11Å; Q1100-D1103 PolarHBondContact N-OD2 3.48Å; Q1100-D1103 PolarHBondContact O-N 2.72Å
1101	T	69.4	Low	84.5	Confident	26 Å²	26	61.5 Å²	61.5	16%	0.16	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.5	-179.1	50.9	0	0	0	0	113.6	A825 Y953	A825-T1101 WeakPolarHBondContact CB-O 3.45Å; A825-T1101 PolarHBondContact N-O 2.8Å; Y953-T1101 HydrophobicContact CE2-CG2 4.47Å
1102	L	72.9	Confident	84.7	Confident	90 Å²	90	65.4 Å²	65.4	47%	0.471	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	6.9	-179.1	-60.8	177.7	0	0	0	113.9	Q1100 F1104	Q1100-L1102 PolarHBondContact O-N 2.77Å; Q1100-L1102 VanDerWaalsContact O-N 3.11Å; L1102-F1104 HydrophobicContact CD2-CE2 3.94Å; L1102-F1104 WeakPolarHBondContact O-CD2 3.35Å; L1102-F1104 PolarHBondContact O-N 2.98Å
1103	D	76.7	Confident	84.8	Confident	44 Å²	44	66.6 Å²	66.6	24%	0.235	31%	0.313	C	S	.	.			trans	-76.3	45.9	-178.5	-76.6	-26.4	0	0	0	113.7	Q1100 K1105 R1106	Q1100-D1103 PolarHBondContact N-OD2 3.48Å; Q1100-D1103 PolarHBondContact O-N 2.72Å; D1103-K1105 PolarHBondContact O-N 3.34Å; D1103-R1106 PolarHBondContact O-N 3.48Å
1104	F	74.9	Confident	84.8	Confident	35 Å²	35	63.4 Å²	63.4	15%	0.154	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.8	-16.8	-175.9	-66.5	-77.3	0	0	0	114.5	A825 F877 A880 L1102 R1106	A825-F1104 HydrophobicContact CB-CB 4.5Å; A825-F1104 HydrophobicContact CB-CD1 3.76Å; A825-F1104 HydrophobicContact CB-CD2 4.34Å; A825-F1104 HydrophobicContact CB-CE1 3.98Å; A825-F1104 HydrophobicContact CB-CG 3.94Å; A825-F1104 HydrophobicContact CB-CZ 4.36Å; F877-F1104 AromaticContact CD1-CD1 3.69Å; F877-F1104 HydrophobicContact CD1-CD1 3.69Å; F877-F1104 HydrophobicContact CD1-CE1 4.34Å; F877-F1104 HydrophobicContact CE1-CD1 4.16Å; F877-F1104 HydrophobicContact CE1-CE1 4.4Å; F877-F1104 HydrophobicContact CG-CD1 4.36Å; A880-F1104 HydrophobicContact CB-CD1 4.46Å; A880-F1104 HydrophobicContact CB-CG 4.49Å; L1102-F1104 HydrophobicContact CD2-CE2 3.94Å; L1102-F1104 WeakPolarHBondContact O-CD2 3.35Å; L1102-F1104 PolarHBondContact O-N 2.98Å; F1104-R1106 VanDerWaalsContact C-N 3.33Å
1105	K	80.7	Confident	84.9	Confident	173 Å²	173	65.6 Å²	65.6	75%	0.752	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-68.2	-29.3	174.7	-65.4	-175	-179.7	179	0	112.9	S881 D1103 F1107	S881-K1105 VanDerWaalsContact OG-CE 3.3Å; S881-K1105 WeakPolarHBondContact OG-CE 3.35Å; S881-K1105 WeakPolarHBondContact OG-CG 3.17Å; D1103-K1105 PolarHBondContact O-N 3.34Å; K1105-F1107 VanDerWaalsContact C-N 3.26Å; K1105-F1107 PolarHBondContact O-N 3.42Å
1106	R	84.2	Confident	85.2	Confident	114 Å²	114	64.6 Å²	64.6	43%	0.43	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-92.2	37.3	-174.6	-61	-169	-174.7	173.8	1.3	112.8	F1099 D1103 F1104 D1108 I1110	F1099-R1106 HydrophobicContact CD1-CB 4.41Å; F1099-R1106 HydrophobicContact CE1-CB 4.28Å; D1103-R1106 PolarHBondContact O-N 3.48Å; F1104-R1106 VanDerWaalsContact C-N 3.33Å; R1106-D1108 PolarHBondContact O-N 3.4Å; R1106-I1110 HydrophobicContact CB-CD1 4.38Å; R1106-I1110 VanDerWaalsContact O-CG1 3.26Å; R1106-I1110 WeakPolarHBondContact O-CG1 3Å; R1106-I1110 PolarHBondContact O-N 2.91Å; R1106-I1110 VanDerWaalsContact O-N 3.17Å
1107	F	86.9	Confident	85.5	Confident	11 Å²	11	67 Å²	67	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-56.3	-48.8	-178.3	175.5	-91.2	0	0	0	112.2	A828 V831 A873 K874 F877 K1105 I1110 S1111	A828-F1107 HydrophobicContact CB-CD2 3.53Å; A828-F1107 HydrophobicContact CB-CE2 3.88Å; A828-F1107 HydrophobicContact CB-CG 4.28Å; V831-F1107 HydrophobicContact CB-CZ 4.49Å; V831-F1107 HydrophobicContact CG1-CZ 4.44Å; V831-F1107 HydrophobicContact CG2-CE2 4.3Å; V831-F1107 HydrophobicContact CG2-CZ 4.24Å; A873-F1107 HydrophobicContact CB-CE2 4.11Å; A873-F1107 HydrophobicContact CB-CZ 4.05Å; K874-F1107 HydrophobicContact CB-CD1 3.94Å; K874-F1107 HydrophobicContact CB-CE1 3.66Å; K874-F1107 HydrophobicContact CB-CZ 4.12Å; K874-F1107 HydrophobicContact CD-CD1 4.25Å; K874-F1107 HydrophobicContact CD-CE1 4.37Å; K874-F1107 HydrophobicContact CG-CD1 3.88Å; K874-F1107 HydrophobicContact CG-CE1 4.08Å; F877-F1107 HydrophobicContact CB-CB 4.48Å; F877-F1107 HydrophobicContact CB-CD2 3.84Å; F877-F1107 HydrophobicContact CB-CG 4.44Å; F877-F1107 AromaticContact CD1-CD2 3.73Å; F877-F1107 HydrophobicContact CD1-CD2 3.73Å; F877-F1107 HydrophobicContact CD1-CE2 4.41Å; F877-F1107 HydrophobicContact CD2-CD2 4.1Å; F877-F1107 HydrophobicContact CD2-CE2 4.1Å; F877-F1107 HydrophobicContact CE1-CD2 4.27Å; F877-F1107 HydrophobicContact CE2-CE2 4.34Å; F877-F1107 AromaticContact CG-CD2 3.63Å; F877-F1107 HydrophobicContact CG-CD2 3.63Å; F877-F1107 HydrophobicContact CG-CE2 4.12Å; K1105-F1107 VanDerWaalsContact C-N 3.26Å; K1105-F1107 PolarHBondContact O-N 3.42Å; F1107-I1110 PolarHBondContact O-N 2.87Å; F1107-S1111 VanDerWaalsContact O-CB 3.3Å; F1107-S1111 WeakPolarHBondContact O-CB 3.38Å; F1107-S1111 PolarHBondContact O-N 2.86Å; F1107-S1111 PolarHBondContact O-OG 3.35Å
1108	D	89.9	Confident	85.9	Confident	81 Å²	81	63.7 Å²	63.7	43%	0.433	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-49.8	-174.9	-65.8	-40	0	0	0	111	K874 R1106 I1110 S1111 E1112	K874-D1108 WeakPolarHBondContact CE-OD1 3.32Å; K874-D1108 IonicContact NZ-OD1 2.73Å; K874-D1108 PolarHBondContact NZ-OD1 2.96Å; K874-D1108 IonicContact NZ-OD2 2.76Å; K874-D1108 PolarHBondContact NZ-OD2 3.35Å; R1106-D1108 PolarHBondContact O-N 3.4Å; D1108-I1110 PolarHBondContact O-N 2.99Å; D1108-S1111 PolarHBondContact O-N 3.31Å; D1108-S1111 PolarHBondContact O-OG 3.42Å; D1108-E1112 PolarHBondContact O-N 2.96Å
1109	E	90.7	Very high	86.3	Confident	98 Å²	98	58.2 Å²	58.2	46%	0.458	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-46.4	177.9	-65.6	172.4	-140.8	0	0	112.8	F1099 E1112 I1113	F1099-E1109 HydrophobicContact CZ-CB 4.3Å; E1109-E1112 PolarHBondContact O-N 2.98Å; E1109-I1113 VanDerWaalsContact O-CD1 3.31Å; E1109-I1113 WeakPolarHBondContact O-CD1 3.45Å; E1109-I1113 VanDerWaalsContact O-CG1 3.27Å; E1109-I1113 WeakPolarHBondContact O-CG1 3.35Å; E1109-I1113 PolarHBondContact O-N 2.6Å
1110	I	90.3	Very high	86.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.9	-40	-178.7	-62.8	170	0	0	0	110.3	A828 A829 I1096 F1099 R1106 F1107 D1108 E1112 I1113 G1114	A828-I1110 HydrophobicContact CB-CB 3.92Å; A828-I1110 HydrophobicContact CB-CG2 3.79Å; A829-I1110 HydrophobicContact CB-CG2 3.96Å; I1096-I1110 HydrophobicContact CG2-CG2 4.12Å; F1099-I1110 HydrophobicContact CB-CD1 4.07Å; F1099-I1110 HydrophobicContact CB-CG1 4.46Å; F1099-I1110 HydrophobicContact CD1-CD1 4.15Å; F1099-I1110 HydrophobicContact CD1-CG1 4.01Å; F1099-I1110 HydrophobicContact CD2-CD1 4.25Å; F1099-I1110 HydrophobicContact CD2-CG1 3.71Å; F1099-I1110 HydrophobicContact CE1-CG1 4.11Å; F1099-I1110 HydrophobicContact CE2-CG1 3.82Å; F1099-I1110 HydrophobicContact CG-CD1 3.9Å; F1099-I1110 HydrophobicContact CG-CG1 3.8Å; F1099-I1110 HydrophobicContact CZ-CG1 4.01Å; R1106-I1110 HydrophobicContact CB-CD1 4.38Å; R1106-I1110 VanDerWaalsContact O-CG1 3.26Å; R1106-I1110 WeakPolarHBondContact O-CG1 3Å; R1106-I1110 PolarHBondContact O-N 2.91Å; R1106-I1110 VanDerWaalsContact O-N 3.17Å; F1107-I1110 PolarHBondContact O-N 2.87Å; D1108-I1110 PolarHBondContact O-N 2.99Å; I1110-E1112 VanDerWaalsContact C-N 3.34Å; I1110-E1112 PolarHBondContact O-N 3.44Å; I1110-I1113 PolarHBondContact O-N 3.36Å; I1110-G1114 PolarHBondContact O-N 3.03Å
1111	S	92	Very high	87.2	Confident	23 Å²	23	54.8 Å²	54.8	16%	0.161	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-37.9	178.6	75.6	0	0	0	0	112.3	A828 G832 F1107 D1108 G1114 Y1115	A828-S1111 WeakPolarHBondContact O-CA 3.26Å; G832-S1111 VanDerWaalsContact CA-O 3.26Å; G832-S1111 WeakPolarHBondContact CA-O 3.47Å; F1107-S1111 VanDerWaalsContact O-CB 3.3Å; F1107-S1111 WeakPolarHBondContact O-CB 3.38Å; F1107-S1111 PolarHBondContact O-N 2.86Å; F1107-S1111 PolarHBondContact O-OG 3.35Å; D1108-S1111 PolarHBondContact O-N 3.31Å; D1108-S1111 PolarHBondContact O-OG 3.42Å; S1111-G1114 PolarHBondContact O-N 2.98Å; S1111-Y1115 PolarHBondContact O-N 3.17Å
1112	E	94	Very high	88	Confident	135 Å²	135	53.6 Å²	53.6	63%	0.631	27%	0.266	S	S	*	.	H	α-helix	trans	-68.7	-39.9	178.8	-172.2	169.6	-162.8	0	0	112	D1108 E1109 I1110 G1114 Y1115 A1116	D1108-E1112 PolarHBondContact O-N 2.96Å; E1109-E1112 PolarHBondContact O-N 2.98Å; I1110-E1112 VanDerWaalsContact C-N 3.34Å; I1110-E1112 PolarHBondContact O-N 3.44Å; E1112-G1114 VanDerWaalsContact C-N 3.34Å; E1112-G1114 PolarHBondContact O-N 2.77Å; E1112-Y1115 WeakPolarHBondContact O-CB 3.45Å; E1112-Y1115 PolarHBondContact O-N 3.45Å; E1112-A1116 PolarHBondContact O-N 3.21Å
1113	I	93.6	Very high	88.6	Confident	26 Å²	26	53.1 Å²	53.1	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-42.7	173.8	-63.4	158.8	0	0	0	110.9	P1095 I1096 F1099 E1109 I1110 Y1115 A1116 H1117	P1095-I1113 HydrophobicContact CG-CG2 3.82Å; I1096-I1113 HydrophobicContact CG2-CB 4.27Å; I1096-I1113 HydrophobicContact CG2-CG2 3.81Å; F1099-I1113 HydrophobicContact CE2-CD1 3.47Å; F1099-I1113 VanDerWaalsContact CE2-CD1 3.47Å; F1099-I1113 HydrophobicContact CZ-CD1 3.83Å; E1109-I1113 VanDerWaalsContact O-CD1 3.31Å; E1109-I1113 WeakPolarHBondContact O-CD1 3.45Å; E1109-I1113 VanDerWaalsContact O-CG1 3.27Å; E1109-I1113 WeakPolarHBondContact O-CG1 3.35Å; E1109-I1113 PolarHBondContact O-N 2.6Å; I1110-I1113 PolarHBondContact O-N 3.36Å; I1113-Y1115 VanDerWaalsContact C-N 3.31Å; I1113-Y1115 PolarHBondContact O-N 3.39Å; I1113-A1116 PolarHBondContact O-N 2.69Å; I1113-H1117 WeakPolarHBondContact O-CB 3.48Å; I1113-H1117 PolarHBondContact O-N 3.01Å
1114	G	91.6	Very high	89	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-42.3	174.8	0	0	0	0	0	112.2	V833 I1110 S1111 E1112 G1118	V833-G1114 WeakPolarHBondContact CG2-O 3.47Å; I1110-G1114 PolarHBondContact O-N 3.03Å; S1111-G1114 PolarHBondContact O-N 2.98Å; E1112-G1114 VanDerWaalsContact C-N 3.34Å; E1112-G1114 PolarHBondContact O-N 2.77Å; G1114-G1118 PolarHBondContact O-N 2.91Å
1115	Y	94.7	Very high	89	Confident	47 Å²	47	53.9 Å²	53.9	18%	0.184	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-52	176.5	171.5	-107.1	0	0	0	112.4	G832 K835 A836 E839 S1111 E1112 I1113 H1117 G1118 K1119	G832-Y1115 WeakPolarHBondContact O-CA 3.42Å; K835-Y1115 HydrophobicContact CB-CD2 3.89Å; K835-Y1115 HydrophobicContact CB-CE2 4.4Å; K835-Y1115 HydrophobicContact CD-CD2 3.72Å; K835-Y1115 HydrophobicContact CD-CE2 3.92Å; K835-Y1115 HydrophobicContact CD-CG 4.28Å; K835-Y1115 HydrophobicContact CG-CD2 3.88Å; K835-Y1115 HydrophobicContact CG-CE2 3.97Å; A836-Y1115 HydrophobicContact CB-CD2 3.99Å; A836-Y1115 HydrophobicContact CB-CE2 4.26Å; E839-Y1115 WeakPolarHBondContact OE2-CE2 3.38Å; E839-Y1115 VanDerWaalsContact OE2-CZ 3.29Å; E839-Y1115 PolarHBondContact OE2-OH 3.14Å; S1111-Y1115 PolarHBondContact O-N 3.17Å; E1112-Y1115 WeakPolarHBondContact O-CB 3.45Å; E1112-Y1115 PolarHBondContact O-N 3.45Å; I1113-Y1115 VanDerWaalsContact C-N 3.31Å; I1113-Y1115 PolarHBondContact O-N 3.39Å; Y1115-H1117 VanDerWaalsContact C-N 3.34Å; Y1115-H1117 PolarHBondContact O-N 2.91Å; Y1115-G1118 PolarHBondContact O-N 3.09Å; Y1115-K1119 HydrophobicContact CE1-CD 4.46Å; Y1115-K1119 VanDerWaalsContact O-CB 3.29Å; Y1115-K1119 WeakPolarHBondContact O-CB 3.48Å; Y1115-K1119 PolarHBondContact O-N 3.18Å
1116	A	95.1	Very high	88.8	Confident	58 Å²	58	49.3 Å²	49.3	48%	0.479	25%	0.247	S	C	.	.	H	α-helix	trans	-59.9	-43.9	-179.3	0	0	0	0	0	111.8	E1112 I1113 S1120	E1112-A1116 PolarHBondContact O-N 3.21Å; I1113-A1116 PolarHBondContact O-N 2.69Å; A1116-S1120 PolarHBondContact O-N 3.26Å
1117	H	93	Very high	88.5	Confident	52 Å²	52	49.7 Å²	49.7	24%	0.241	26%	0.262	C	S	.	.	H	α-helix	trans	-68.5	-46.3	177.8	-176.4	59.1	0	0	0	112.3	R1093 P1094 I1113 Y1115 K1119 S1120 V1121	R1093-H1117 PolarHBondContact O-NE2 3.01Å; P1094-H1117 VanDerWaalsContact CA-CD2 3.42Å; P1094-H1117 WeakPolarHBondContact CA-CD2 3.31Å; P1094-H1117 HydrophobicContact CB-CB 4.45Å; I1113-H1117 WeakPolarHBondContact O-CB 3.48Å; I1113-H1117 PolarHBondContact O-N 3.01Å; Y1115-H1117 VanDerWaalsContact C-N 3.34Å; Y1115-H1117 PolarHBondContact O-N 2.91Å; H1117-K1119 VanDerWaalsContact C-N 3.27Å; H1117-K1119 PolarHBondContact O-N 3.17Å; H1117-S1120 PolarHBondContact O-N 3.34Å; H1117-V1121 VanDerWaalsContact CE1-CG2 3.43Å; H1117-V1121 WeakPolarHBondContact CE1-CG2 3.13Å; H1117-V1121 WeakPolarHBondContact O-CG2 3.38Å; H1117-V1121 PolarHBondContact O-N 3.1Å
1118	G	90.6	Very high	88	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-41	177.9	0	0	0	0	0	112.1	G1114 Y1115 L1122	G1114-G1118 PolarHBondContact O-N 2.91Å; Y1115-G1118 PolarHBondContact O-N 3.09Å; G1118-L1122 WeakPolarHBondContact O-CB 3.32Å; G1118-L1122 WeakPolarHBondContact O-CD1 3.47Å; G1118-L1122 WeakPolarHBondContact O-CG 3.42Å; G1118-L1122 PolarHBondContact O-N 2.69Å
1119	K	91.8	Very high	86.9	Confident	69 Å²	69	56.4 Å²	56.4	30%	0.3	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-50.3	176.3	-173.4	171.5	-180	174.1	0	112	A836 Y1115 H1117 V1121 L1122 E1123	A836-K1119 HydrophobicContact CB-CB 4.11Å; Y1115-K1119 HydrophobicContact CE1-CD 4.46Å; Y1115-K1119 VanDerWaalsContact O-CB 3.29Å; Y1115-K1119 WeakPolarHBondContact O-CB 3.48Å; Y1115-K1119 PolarHBondContact O-N 3.18Å; H1117-K1119 VanDerWaalsContact C-N 3.27Å; H1117-K1119 PolarHBondContact O-N 3.17Å; K1119-V1121 PolarHBondContact O-N 3.49Å; K1119-L1122 PolarHBondContact O-N 3.37Å; K1119-E1123 WeakPolarHBondContact CE-OE1 3.13Å; K1119-E1123 HydrophobicContact CG-CG 4.18Å; K1119-E1123 WeakPolarHBondContact CG-OE1 3.49Å; K1119-E1123 IonicContact NZ-OE1 3.33Å; K1119-E1123 WeakPolarHBondContact O-CB 3.36Å; K1119-E1123 WeakPolarHBondContact O-CG 3.33Å; K1119-E1123 PolarHBondContact O-N 2.8Å
1120	S	91.3	Very high	85.8	Confident	54 Å²	54	56.2 Å²	56.2	38%	0.378	30%	0.297	S	S	.	.	H	α-helix	trans	-54.6	-51.4	177.9	-168.5	0	0	0	0	112.2	A1116 H1117 L1122 E1123 E1124	A1116-S1120 PolarHBondContact O-N 3.26Å; H1117-S1120 PolarHBondContact O-N 3.34Å; S1120-L1122 VanDerWaalsContact C-N 3.32Å; S1120-L1122 PolarHBondContact O-N 2.95Å; S1120-E1123 PolarHBondContact O-N 3.32Å; S1120-E1124 WeakPolarHBondContact O-CB 3.22Å; S1120-E1124 VanDerWaalsContact O-CG 3.24Å; S1120-E1124 WeakPolarHBondContact O-CG 3.5Å; S1120-E1124 PolarHBondContact O-N 3.21Å; S1120-E1124 PolarHBondContact OG-OE1 3.19Å; S1120-E1124 VanDerWaalsContact OG-OE1 3.12Å
1121	V	87.3	Confident	84.5	Confident	15 Å²	15	59 Å²	59	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-35.9	-175.5	174.6	0	0	0	0	112.1	L1092 H1117 K1119	L1092-V1121 HydrophobicContact CD1-CG1 4.45Å; L1092-V1121 HydrophobicContact CG-CG1 4.18Å; H1117-V1121 VanDerWaalsContact CE1-CG2 3.43Å; H1117-V1121 WeakPolarHBondContact CE1-CG2 3.13Å; H1117-V1121 WeakPolarHBondContact O-CG2 3.38Å; H1117-V1121 PolarHBondContact O-N 3.1Å; K1119-V1121 PolarHBondContact O-N 3.49Å
1122	L	85	Confident	83.1	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-82	-31.7	-179.3	-65.3	171.5	0	0	0	112.2	I837 L840 I842 G1118 K1119 S1120 L1125 I1126	I837-L1122 HydrophobicContact CG1-CD1 3.66Å; L840-L1122 HydrophobicContact CD1-CB 3.21Å; L840-L1122 HydrophobicContact CD1-CD1 3.82Å; L840-L1122 HydrophobicContact CD1-CG 4.15Å; I842-L1122 HydrophobicContact CD1-CD1 4.04Å; I842-L1122 HydrophobicContact CD1-CD2 3.98Å; I842-L1122 HydrophobicContact CD1-CG 4.44Å; G1118-L1122 WeakPolarHBondContact O-CB 3.32Å; G1118-L1122 WeakPolarHBondContact O-CD1 3.47Å; G1118-L1122 WeakPolarHBondContact O-CG 3.42Å; G1118-L1122 PolarHBondContact O-N 2.69Å; K1119-L1122 PolarHBondContact O-N 3.37Å; S1120-L1122 VanDerWaalsContact C-N 3.32Å; S1120-L1122 PolarHBondContact O-N 2.95Å; L1122-L1125 HydrophobicContact CD2-CD1 4.11Å; L1122-L1125 WeakPolarHBondContact O-CB 3.42Å; L1122-L1125 PolarHBondContact O-N 3.35Å; L1122-I1126 PolarHBondContact O-N 3.38Å
1123	E	86.2	Confident	81.6	Confident	80 Å²	80	57.6 Å²	57.6	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-69.2	-38	171.4	-74.9	178.3	165.7	0	0	111.6	L840 K1119 S1120 L1125 I1126 V1127	L840-E1123 HydrophobicContact CD2-CG 4.02Å; K1119-E1123 WeakPolarHBondContact CE-OE1 3.13Å; K1119-E1123 HydrophobicContact CG-CG 4.18Å; K1119-E1123 WeakPolarHBondContact CG-OE1 3.49Å; K1119-E1123 IonicContact NZ-OE1 3.33Å; K1119-E1123 WeakPolarHBondContact O-CB 3.36Å; K1119-E1123 WeakPolarHBondContact O-CG 3.33Å; K1119-E1123 PolarHBondContact O-N 2.8Å; S1120-E1123 PolarHBondContact O-N 3.32Å; E1123-L1125 PolarHBondContact O-N 2.96Å; E1123-I1126 WeakPolarHBondContact O-CA 3.48Å; E1123-I1126 WeakPolarHBondContact O-CB 3.3Å; E1123-I1126 PolarHBondContact O-N 3.15Å; E1123-V1127 WeakPolarHBondContact O-CG2 3.43Å; E1123-V1127 PolarHBondContact O-N 2.97Å
1124	E	84.4	Confident	80.1	Confident	91 Å²	91	58.4 Å²	58.4	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-55.7	-36.7	171.5	-78.6	165.9	-149.7	0	0	112.2	S1120 I1126 V1127 N1128	S1120-E1124 WeakPolarHBondContact O-CB 3.22Å; S1120-E1124 VanDerWaalsContact O-CG 3.24Å; S1120-E1124 WeakPolarHBondContact O-CG 3.5Å; S1120-E1124 PolarHBondContact O-N 3.21Å; S1120-E1124 PolarHBondContact OG-OE1 3.19Å; S1120-E1124 VanDerWaalsContact OG-OE1 3.12Å; E1124-I1126 VanDerWaalsContact C-N 3.32Å; E1124-I1126 PolarHBondContact O-N 3.48Å; E1124-V1127 PolarHBondContact O-N 3.39Å; E1124-N1128 WeakPolarHBondContact O-CB 3.3Å; E1124-N1128 VanDerWaalsContact O-CG 3.24Å; E1124-N1128 PolarHBondContact O-N 2.98Å; E1124-N1128 PolarHBondContact O-ND2 2.76Å
1125	L	76.6	Confident	78.7	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-66.3	-35.5	175.1	-68.8	172.4	0	0	0	112.4	R1090 L1122 E1123 E1130 Y1131 F1135	R1090-L1125 HydrophobicContact CG-CD1 4.41Å; L1122-L1125 HydrophobicContact CD2-CD1 4.11Å; L1122-L1125 WeakPolarHBondContact O-CB 3.42Å; L1122-L1125 PolarHBondContact O-N 3.35Å; E1123-L1125 PolarHBondContact O-N 2.96Å; L1125-E1130 HydrophobicContact CD2-CB 4.11Å; L1125-E1130 WeakPolarHBondContact CD2-OE2 2.95Å; L1125-E1130 PolarHBondContact O-N 3.39Å; L1125-Y1131 WeakPolarHBondContact O-CB 3.4Å; L1125-Y1131 PolarHBondContact O-N 3.33Å; L1125-F1135 HydrophobicContact CD1-CE2 4.47Å
1126	I	76.5	Confident	76.8	Confident	78 Å²	78	59.7 Å²	59.7	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-69.1	-43.6	176.8	-62.3	169.4	0	0	0	109.4	L840 L1122 E1123 E1124 N1128 D1129 Y1131	L840-I1126 HydrophobicContact CD2-CD1 3.94Å; L1122-I1126 PolarHBondContact O-N 3.38Å; E1123-I1126 WeakPolarHBondContact O-CA 3.48Å; E1123-I1126 WeakPolarHBondContact O-CB 3.3Å; E1123-I1126 PolarHBondContact O-N 3.15Å; E1124-I1126 VanDerWaalsContact C-N 3.32Å; E1124-I1126 PolarHBondContact O-N 3.48Å; I1126-N1128 VanDerWaalsContact C-N 3.35Å; I1126-N1128 PolarHBondContact O-N 3.26Å; I1126-D1129 PolarHBondContact O-N 2.73Å; I1126-Y1131 HydrophobicContact CD1-CD2 4.19Å; I1126-Y1131 HydrophobicContact CD1-CE2 4.29Å; I1126-Y1131 HydrophobicContact CG1-CD2 3.44Å; I1126-Y1131 VanDerWaalsContact CG1-CD2 3.44Å; I1126-Y1131 HydrophobicContact CG1-CE2 4.02Å; I1126-Y1131 HydrophobicContact CG1-CG 3.75Å
1127	V	77.6	Confident	74.6	Confident	122 Å²	122	57.6 Å²	57.6	74%	0.739	32%	0.323	S	S	*	.	H	α-helix	trans	-65	-37.7	179.3	175.2	0	0	0	0	112	E1123 E1124 D1129	E1123-V1127 WeakPolarHBondContact O-CG2 3.43Å; E1123-V1127 PolarHBondContact O-N 2.97Å; E1124-V1127 PolarHBondContact O-N 3.39Å; V1127-D1129 PolarHBondContact O-N 2.97Å
1128	N	75.8	Confident	72	Confident	100 Å²	100	64.7 Å²	64.7	54%	0.535	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	3.5	179.9	-67.4	-13.1	0	0	0	113.9	E1124 I1126 E1130	E1124-N1128 WeakPolarHBondContact O-CB 3.3Å; E1124-N1128 VanDerWaalsContact O-CG 3.24Å; E1124-N1128 PolarHBondContact O-N 2.98Å; E1124-N1128 PolarHBondContact O-ND2 2.76Å; I1126-N1128 VanDerWaalsContact C-N 3.35Å; I1126-N1128 PolarHBondContact O-N 3.26Å; N1128-E1130 HydrophobicContact CB-CB 4.4Å; N1128-E1130 HydrophobicContact CB-CG 3.93Å; N1128-E1130 PolarHBondContact O-N 2.76Å
1129	D	66.9	Low	69.3	Low	133 Å²	133	67.6 Å²	67.6	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	10.2	-173.1	-128.6	1.4	0	0	0	113.9	I1126 V1127 Y1131	I1126-D1129 PolarHBondContact O-N 2.73Å; V1127-D1129 PolarHBondContact O-N 2.97Å; D1129-Y1131 VanDerWaalsContact C-N 3.26Å; D1129-Y1131 PolarHBondContact O-N 2.75Å
1130	E	67.9	Low	66.4	Low	93 Å²	93	68.1 Å²	68.1	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-73.1	-23.8	175.2	-70.2	-178.2	-179.8	0	0	110.8	L1125 N1128 A1132 A1133 F1134	L1125-E1130 HydrophobicContact CD2-CB 4.11Å; L1125-E1130 WeakPolarHBondContact CD2-OE2 2.95Å; L1125-E1130 PolarHBondContact O-N 3.39Å; N1128-E1130 HydrophobicContact CB-CB 4.4Å; N1128-E1130 HydrophobicContact CB-CG 3.93Å; N1128-E1130 PolarHBondContact O-N 2.76Å; E1130-A1132 PolarHBondContact O-N 3.06Å; E1130-A1133 PolarHBondContact O-N 3.1Å; E1130-F1134 WeakPolarHBondContact O-CB 3.45Å; E1130-F1134 PolarHBondContact O-N 3.48Å
1131	Y	63	Low	63.1	Low	58 Å²	58	67.6 Å²	67.6	23%	0.227	38%	0.383	C	S	.	.	H	α-helix	trans	-56.6	-49.7	-179.3	-175	-85.6	0	0	0	112.1	I842 L1125 I1126 D1129 F1134 F1135	I842-Y1131 HydrophobicContact CD1-CE2 3.98Å; I842-Y1131 HydrophobicContact CG1-CE2 3.8Å; I842-Y1131 WeakPolarHBondContact CG1-OH 3.29Å; L1125-Y1131 WeakPolarHBondContact O-CB 3.4Å; L1125-Y1131 PolarHBondContact O-N 3.33Å; I1126-Y1131 HydrophobicContact CD1-CD2 4.19Å; I1126-Y1131 HydrophobicContact CD1-CE2 4.29Å; I1126-Y1131 HydrophobicContact CG1-CD2 3.44Å; I1126-Y1131 VanDerWaalsContact CG1-CD2 3.44Å; I1126-Y1131 HydrophobicContact CG1-CE2 4.02Å; I1126-Y1131 HydrophobicContact CG1-CG 3.75Å; D1129-Y1131 VanDerWaalsContact C-N 3.26Å; D1129-Y1131 PolarHBondContact O-N 2.75Å; Y1131-F1134 PolarHBondContact O-N 3.36Å; Y1131-F1135 HydrophobicContact CD1-CD2 4.19Å; Y1131-F1135 AromaticContact CD2-CD2 3.49Å; Y1131-F1135 HydrophobicContact CD2-CD2 3.49Å; Y1131-F1135 VanDerWaalsContact CD2-CD2 3.49Å; Y1131-F1135 AromaticContact CD2-CE2 3.64Å; Y1131-F1135 HydrophobicContact CD2-CE2 3.64Å; Y1131-F1135 HydrophobicContact CE1-CD2 4.18Å; Y1131-F1135 AromaticContact CE2-CD2 3.51Å; Y1131-F1135 HydrophobicContact CE2-CD2 3.51Å; Y1131-F1135 AromaticContact CE2-CE2 3.63Å; Y1131-F1135 HydrophobicContact CE2-CE2 3.63Å; Y1131-F1135 AromaticContact CG-CD2 3.85Å; Y1131-F1135 HydrophobicContact CG-CD2 3.85Å; Y1131-F1135 HydrophobicContact CG-CE2 4.41Å; Y1131-F1135 AromaticContact CZ-CD2 3.86Å; Y1131-F1135 WeakPolarHBondContact O-CB 3.42Å; Y1131-F1135 WeakPolarHBondContact O-CD2 3.25Å; Y1131-F1135 PolarHBondContact O-N 3.34Å
1132	A	62.8	Low	60.2	Low	49 Å²	49	73.7 Å²	73.7	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-66.3	-42.1	178.2	0	0	0	0	0	110.9	E1130 F1134 A1136	E1130-A1132 PolarHBondContact O-N 3.06Å; A1132-F1134 VanDerWaalsContact C-N 3.28Å; A1132-F1134 PolarHBondContact O-N 2.8Å; A1132-A1136 VanDerWaalsContact O-CA 3.28Å; A1132-A1136 WeakPolarHBondContact O-CA 3.33Å; A1132-A1136 WeakPolarHBondContact O-CB 3.28Å; A1132-A1136 PolarHBondContact O-N 2.75Å
1133	A	61.2	Low	57.3	Low	80 Å²	80	78.8 Å²	78.8	66%	0.661	46%	0.456	S	S	*	.	H	α-helix	trans	-63.9	-33.9	177.9	0	0	0	0	0	113	E1130	E1130-A1133 PolarHBondContact O-N 3.1Å
1134	F	62.9	Low	54.3	Low	44 Å²	44	80.4 Å²	80.4	19%	0.193	47%	0.466	C	S	.	.	H	α-helix	trans	-87.1	-40.4	-174.6	-164.1	-107.6	0	0	0	113.1	T1021 R1090 E1130 Y1131 A1132	T1021-F1134 HydrophobicContact CG2-CD1 3.58Å; T1021-F1134 HydrophobicContact CG2-CE1 3.07Å; T1021-F1134 HydrophobicContact CG2-CE2 4.42Å; T1021-F1134 HydrophobicContact CG2-CG 4.44Å; T1021-F1134 HydrophobicContact CG2-CZ 3.55Å; T1021-F1134 PolarHBondContact OG1-O 3.45Å; R1090-F1134 HydrophobicContact CB-CE1 4.06Å; R1090-F1134 HydrophobicContact CB-CZ 4.01Å; E1130-F1134 WeakPolarHBondContact O-CB 3.45Å; E1130-F1134 PolarHBondContact O-N 3.48Å; Y1131-F1134 PolarHBondContact O-N 3.36Å; A1132-F1134 VanDerWaalsContact C-N 3.28Å; A1132-F1134 PolarHBondContact O-N 2.8Å
1135	F	62.6	Low	51.4	Low	27 Å²	27	83.6 Å²	83.6	12%	0.118	49%	0.485	C	S	.	.	H	α-helix	trans	-101.7	-31.3	-178.2	-66.5	-68.1	0	0	0	114.2	I816 I842 T1021 I1023 L1125 Y1131 G1137	I816-F1135 HydrophobicContact CD1-CD1 3.63Å; I816-F1135 HydrophobicContact CD1-CE1 4.28Å; I816-F1135 HydrophobicContact CG1-CD1 4.06Å; I816-F1135 HydrophobicContact CG1-CE1 4.47Å; I816-F1135 HydrophobicContact CG2-CE1 4.2Å; I842-F1135 HydrophobicContact CD1-CE2 4.05Å; I842-F1135 HydrophobicContact CD1-CZ 3.88Å; I842-F1135 HydrophobicContact CG1-CE2 4.44Å; I842-F1135 HydrophobicContact CG1-CZ 4.35Å; I842-F1135 HydrophobicContact CG2-CD1 4.24Å; I842-F1135 HydrophobicContact CG2-CE1 3.72Å; I842-F1135 HydrophobicContact CG2-CZ 4.05Å; T1021-F1135 HydrophobicContact CG2-CD1 4.32Å; T1021-F1135 HydrophobicContact CG2-CE1 4.1Å; I1023-F1135 HydrophobicContact CD1-CE1 4.14Å; I1023-F1135 HydrophobicContact CD1-CZ 4.06Å; L1125-F1135 HydrophobicContact CD1-CE2 4.47Å; Y1131-F1135 HydrophobicContact CD1-CD2 4.19Å; Y1131-F1135 AromaticContact CD2-CD2 3.49Å; Y1131-F1135 HydrophobicContact CD2-CD2 3.49Å; Y1131-F1135 VanDerWaalsContact CD2-CD2 3.49Å; Y1131-F1135 AromaticContact CD2-CE2 3.64Å; Y1131-F1135 HydrophobicContact CD2-CE2 3.64Å; Y1131-F1135 HydrophobicContact CE1-CD2 4.18Å; Y1131-F1135 AromaticContact CE2-CD2 3.51Å; Y1131-F1135 HydrophobicContact CE2-CD2 3.51Å; Y1131-F1135 AromaticContact CE2-CE2 3.63Å; Y1131-F1135 HydrophobicContact CE2-CE2 3.63Å; Y1131-F1135 AromaticContact CG-CD2 3.85Å; Y1131-F1135 HydrophobicContact CG-CD2 3.85Å; Y1131-F1135 HydrophobicContact CG-CE2 4.41Å; Y1131-F1135 AromaticContact CZ-CD2 3.86Å; Y1131-F1135 WeakPolarHBondContact O-CB 3.42Å; Y1131-F1135 WeakPolarHBondContact O-CD2 3.25Å; Y1131-F1135 PolarHBondContact O-N 3.34Å; F1135-G1137 PolarHBondContact O-N 2.82Å
1136	A	54.8	Low	48.8	Very low	46 Å²	46	93.3 Å²	93.3	38%	0.38	52%	0.522	S	S	.	.			trans	-70.2	110.4	177.5	0	0	0	0	0	108.2	A1132 R1138	A1132-A1136 VanDerWaalsContact O-CA 3.28Å; A1132-A1136 WeakPolarHBondContact O-CA 3.33Å; A1132-A1136 WeakPolarHBondContact O-CB 3.28Å; A1132-A1136 PolarHBondContact O-N 2.75Å; A1136-R1138 PolarHBondContact O-N 3.26Å
1137	G	48.1	Very low	46.2	Very low	15 Å²	15	95.8 Å²	95.8	16%	0.155	54%	0.543	C	S	.	.			trans	-64.7	22.9	174	0	0	0	0	0	114.5	F1135 S1139	F1135-G1137 PolarHBondContact O-N 2.82Å; G1137-S1139 PolarHBondContact O-N 2.82Å
1138	R	38.5	Very low	43.7	Very low	201 Å²	201	98.5 Å²	98.5	76%	0.758	55%	0.547	S	S	*	.			trans	-70.2	96.8	177.8	-84.1	-171.3	175.8	180	-0.5	109.3	A1136 S1140	A1136-R1138 PolarHBondContact O-N 3.26Å; R1138-S1140 PolarHBondContact O-N 3.04Å; R1138-S1140 VanDerWaalsContact O-N 3.11Å
1139	S	34.6	Very low	41.2	Very low	60 Å²	60	102.1 Å²	102.1	42%	0.42	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-68.6	8.4	170.4	50.7	0	0	0	0	114	G1137 G1141	G1137-S1139 PolarHBondContact O-N 2.82Å; S1139-G1141 PolarHBondContact O-N 2.87Å; S1139-G1141 VanDerWaalsContact O-N 3.09Å
1140	S	29.4	Very low	39.3	Very low	80 Å²	80	105.1 Å²	105.1	56%	0.559	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-72.5	0.1	-175.1	57	0	0	0	0	114.8	R1138	R1138-S1140 PolarHBondContact O-N 3.04Å; R1138-S1140 VanDerWaalsContact O-N 3.11Å
1141	G	23.1	Very low	37.2	Very low	43 Å²	43	110.5 Å²	110.5	44%	0.443	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-96	-9.9	-179.7	0	0	0	0	0	116.2	S1139	S1139-G1141 PolarHBondContact O-N 2.87Å; S1139-G1141 VanDerWaalsContact O-N 3.09Å
1142	V	26.4	Very low	35.4	Very low	144 Å²	144	118.2 Å²	118.2	87%	0.873	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-27.8	-177.6	-178.1	0	0	0	0	112.3
1143	S	24.4	Very low	33.7	Very low	106 Å²	106	122 Å²	122	74%	0.741	64%	0.639	S	S	*	*	S	Bend	trans	-97.5	-7.8	175.7	52	0	0	0	0	114.8
1144	I	23.4	Very low	32	Very low	114 Å²	114	127.2 Å²	127.2	59%	0.585	64%	0.641	S	S	*	*	S	Bend	trans	-140	97.9	178.7	-50.3	175.6	0	0	0	110
1145	L	23.3	Very low	30.1	Very low	159 Å²	159	128.1 Å²	128.1	83%	0.832	66%	0.664	S	S	*	*			trans	52.6	82.9	148.6	-58	165.1	0	0	0	116.6
1146	R	21.3	Very low	28.3	Very low	208 Å²	208	133.5 Å²	133.5	79%	0.785	69%	0.693	S	S	*	*			trans	-126.3	116	140.7	-79.9	-168.4	177.8	-173.9	-0.4	109.3	Q1148	R1146-Q1148 VanDerWaalsContact C-N 3.31Å; R1146-Q1148 PolarHBondContact O-N 3.42Å
1147	P	22.1	Very low	27	Very low	129 Å²	129	132.6 Å²	132.6	84%	0.838	69%	0.686	S	S	*	*			trans	-68.8	93	168.9	27.4	-29	0	0	0	107.6	Q1149	P1147-Q1149 PolarHBondContact O-N 2.78Å
1148	Q	25.3	Very low	26	Very low	179 Å²	179	138.4 Å²	138.4	84%	0.836	71%	0.707	S	S	*	*			trans	-75.5	113.3	176.6	-90.9	-148.6	-23.1	0	0	110.7	R1146	R1146-Q1148 VanDerWaalsContact C-N 3.31Å; R1146-Q1148 PolarHBondContact O-N 3.42Å
1149	Q	23.8	Very low	25.7	Very low	177 Å²	177	135 Å²	135	83%	0.827	71%	0.708	S	S	*	*			trans	-49.4	142.7	160.4	-69.5	172.9	-30.5	0	0	112.5	P1147	P1147-Q1149 PolarHBondContact O-N 2.78Å
1150	K	26.6	Very low	26	Very low	195 Å²	195	134.5 Å²	134.5	85%	0.848	71%	0.705	S	S	*	*			trans	63.5	85.4	156.4	-66.9	-177.5	178.4	178.1	0	116.5	R1152	K1150-R1152 PolarHBondContact O-N 3.26Å
1151	K	24.6	Very low	26.3	Very low	206 Å²	206	134.7 Å²	134.7	90%	0.896	71%	0.711	S	S	*	*			trans	-34.7	115.2	155.2	-64.7	179.6	176.9	-178.8	0	111.7
1152	R	25.2	Very low	27.1	Very low	221 Å²	221	138.9 Å²	138.9	83%	0.834	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-83.3	142	154.4	-73.8	-172.8	176	-172.4	0.2	108.4	K1150 W1154	K1150-R1152 PolarHBondContact O-N 3.26Å; R1152-W1154 PolarHBondContact O-N 3.44Å
1153	P	27	Very low	28.7	Very low	128 Å²	128	134 Å²	134	83%	0.831	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-67.9	131.9	178.5	27.2	-31.1	0	0	0	110
1154	W	25.2	Very low	30.4	Very low	189 Å²	189	132.3 Å²	132.3	72%	0.716	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-70.1	128.2	-171.1	-69.8	62.7	0	0	0	111.1	R1152	R1152-W1154 PolarHBondContact O-N 3.44Å
1155	G	23.5	Very low	32.4	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-78.7	132.7	169.9	0	0	0	0	0	110.7
1156	L	23.1	Very low	34.5	Very low	139 Å²	139	127.6 Å²	127.6	73%	0.728	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.5	129.6	-172	-68.2	133.5	0	0	0	115.9
1157	A	27.6	Very low	36.5	Very low	28 Å²	28	118.5 Å²	118.5	23%	0.231	62%	0.618	C	S	.	*	S	Bend	trans	-153.4	42.4	148.9	0	0	0	0	0	113.2	I605	I605-A1157 HydrophobicContact CD1-CB 3.69Å; I605-A1157 HydrophobicContact CG1-CB 3.48Å; I605-A1157 VanDerWaalsContact CG1-CB 3.48Å
1158	F	28.9	Very low	38.7	Very low	137 Å²	137	113.1 Å²	113.1	60%	0.601	58%	0.584	S	S	*	*	S	Bend	trans	-148.7	123.9	135.5	-101	-85.8	0	0	0	102.9	S1160	F1158-S1160 PolarHBondContact O-N 3.47Å
1159	T	32	Very low	40.7	Very low	129 Å²	129	107.4 Å²	107.4	79%	0.791	57%	0.568	S	S	*	*	S	Bend	trans	-70.6	-0.1	-149.9	45.4	0	0	0	0	116.1
1160	S	39	Very low	42.7	Very low	49 Å²	49	103 Å²	103	34%	0.343	55%	0.548	S	S	.	.			trans	-150.5	117.7	-179.3	50.7	0	0	0	0	109.6	F1158 Q1162 S1163	F1158-S1160 PolarHBondContact O-N 3.47Å; S1160-Q1162 PolarHBondContact O-N 3.44Å; S1160-S1163 PolarHBondContact O-N 3.05Å; S1160-S1163 VanDerWaalsContact O-N 3.16Å
1161	A	36.8	Very low	44.5	Very low	85 Å²	85	93.7 Å²	93.7	70%	0.702	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-13.6	174.8	0	0	0	0	0	113.7	S1163 F1164 T1165	A1161-S1163 PolarHBondContact O-N 3.35Å; A1161-S1163 VanDerWaalsContact O-N 3.15Å; A1161-F1164 PolarHBondContact O-N 3.49Å; A1161-T1165 PolarHBondContact O-N 3.01Å
1162	Q	39.8	Very low	46.5	Very low	130 Å²	130	86 Å²	86	61%	0.607	48%	0.483	S	S	*	.	H	α-helix	trans	-45.1	-35.2	168.3	-68.6	170.9	-20.6	0	0	112.9	S1160 F1164 T1165 D1166	S1160-Q1162 PolarHBondContact O-N 3.44Å; Q1162-F1164 PolarHBondContact O-N 3.32Å; Q1162-T1165 WeakPolarHBondContact CA-OG1 3.43Å; Q1162-T1165 PolarHBondContact O-N 3.48Å; Q1162-T1165 PolarHBondContact O-OG1 3.38Å; Q1162-D1166 VanDerWaalsContact O-CB 3.23Å; Q1162-D1166 WeakPolarHBondContact O-CB 3.38Å; Q1162-D1166 PolarHBondContact O-N 3.21Å
1163	S	59.1	Low	48.5	Very low	43 Å²	43	83.1 Å²	83.1	30%	0.301	48%	0.476	S	S	.	.	H	α-helix	trans	-64.5	-41.4	-178.9	65.8	0	0	0	0	113.2	S1160 A1161 D1166 L1167	S1160-S1163 PolarHBondContact O-N 3.05Å; S1160-S1163 VanDerWaalsContact O-N 3.16Å; A1161-S1163 PolarHBondContact O-N 3.35Å; A1161-S1163 VanDerWaalsContact O-N 3.15Å; S1163-D1166 PolarHBondContact O-N 3.1Å; S1163-L1167 WeakPolarHBondContact O-CB 3.44Å; S1163-L1167 VanDerWaalsContact O-CG 3.24Å; S1163-L1167 WeakPolarHBondContact O-CG 3.49Å; S1163-L1167 PolarHBondContact O-N 3.24Å
1164	F	61	Low	50.1	Low	70 Å²	70	81.4 Å²	81.4	31%	0.307	46%	0.459	S	S	.	.	H	α-helix	trans	-68.2	-43.1	177.3	176.9	-98.5	0	0	0	110.8	I590 L593 G594 I597 A1161 Q1162 D1166 L1167 A1168	I590-F1164 HydrophobicContact CG2-CZ 3.91Å; L593-F1164 HydrophobicContact CD2-CD2 3.78Å; L593-F1164 HydrophobicContact CD2-CE2 3.69Å; G594-F1164 VanDerWaalsContact CA-CE2 3.45Å; I597-F1164 HydrophobicContact CD1-CD2 3.91Å; A1161-F1164 PolarHBondContact O-N 3.49Å; Q1162-F1164 PolarHBondContact O-N 3.32Å; F1164-D1166 VanDerWaalsContact C-N 3.31Å; F1164-D1166 PolarHBondContact O-N 3.09Å; F1164-L1167 PolarHBondContact O-N 2.93Å; F1164-A1168 HydrophobicContact CE1-CB 4.36Å; F1164-A1168 VanDerWaalsContact O-CB 3.23Å; F1164-A1168 WeakPolarHBondContact O-CB 3.37Å; F1164-A1168 PolarHBondContact O-N 3.34Å
1165	T	66.4	Low	51.6	Low	82 Å²	82	79.6 Å²	79.6	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-65.8	-36.3	178.2	51.2	0	0	0	0	111.9	A1161 Q1162 A1168 A1169	A1161-T1165 PolarHBondContact O-N 3.01Å; Q1162-T1165 WeakPolarHBondContact CA-OG1 3.43Å; Q1162-T1165 PolarHBondContact O-N 3.48Å; Q1162-T1165 PolarHBondContact O-OG1 3.38Å; T1165-A1168 PolarHBondContact O-N 3.31Å; T1165-A1169 VanDerWaalsContact O-CB 3.23Å; T1165-A1169 WeakPolarHBondContact O-CB 3.4Å; T1165-A1169 PolarHBondContact O-N 3.3Å
1166	D	67	Low	52.7	Low	91 Å²	91	81.6 Å²	81.6	49%	0.487	46%	0.463	S	S	.	.	H	α-helix	trans	-69.1	-42.7	176.7	-68.1	-15.1	0	0	0	110.9	Q1162 S1163 F1164 A1169 M1170	Q1162-D1166 VanDerWaalsContact O-CB 3.23Å; Q1162-D1166 WeakPolarHBondContact O-CB 3.38Å; Q1162-D1166 PolarHBondContact O-N 3.21Å; S1163-D1166 PolarHBondContact O-N 3.1Å; F1164-D1166 VanDerWaalsContact C-N 3.31Å; F1164-D1166 PolarHBondContact O-N 3.09Å; D1166-A1169 PolarHBondContact O-N 3.48Å; D1166-M1170 HydrophobicContact CB-CE 4.33Å; D1166-M1170 WeakPolarHBondContact O-CB 3.39Å; D1166-M1170 WeakPolarHBondContact O-CG 3.48Å; D1166-M1170 PolarHBondContact O-N 2.96Å
1167	L	63	Low	53.6	Low	17 Å²	17	83.8 Å²	83.8	9%	0.089	46%	0.461	C	S	.	.	H	α-helix	trans	-63.7	-45.9	172.8	-73.9	168.9	0	0	0	111.3	V547 A551 L593 I597 S1163 F1164 A1169 M1170 V1171	V547-L1167 HydrophobicContact CG1-CD1 4Å; V547-L1167 HydrophobicContact CG1-CD2 4.28Å; A551-L1167 HydrophobicContact CB-CD2 3.82Å; L593-L1167 HydrophobicContact CD1-CB 4.49Å; L593-L1167 HydrophobicContact CD2-CB 3.81Å; L593-L1167 HydrophobicContact CD2-CD1 4.25Å; I597-L1167 HydrophobicContact CD1-CD1 3.71Å; S1163-L1167 WeakPolarHBondContact O-CB 3.44Å; S1163-L1167 VanDerWaalsContact O-CG 3.24Å; S1163-L1167 WeakPolarHBondContact O-CG 3.49Å; S1163-L1167 PolarHBondContact O-N 3.24Å; F1164-L1167 PolarHBondContact O-N 2.93Å; L1167-A1169 VanDerWaalsContact C-N 3.28Å; L1167-A1169 PolarHBondContact O-N 3.46Å; L1167-M1170 HydrophobicContact CD2-CE 3.89Å; L1167-M1170 HydrophobicContact CG-CE 4.35Å; L1167-M1170 CarbonylContact O-C 3.58Å; L1167-M1170 WeakPolarHBondContact O-CB 3.21Å; L1167-M1170 PolarHBondContact O-N 3.41Å; L1167-V1171 VanDerWaalsContact O-CB 3.27Å; L1167-V1171 WeakPolarHBondContact O-CB 3.35Å; L1167-V1171 WeakPolarHBondContact O-CG2 3.35Å; L1167-V1171 PolarHBondContact O-N 3.26Å
1168	A	67.7	Low	54.2	Low	16 Å²	16	93.8 Å²	93.8	13%	0.132	49%	0.493	C	S	.	.	H	α-helix	trans	-61.4	-37.7	176	0	0	0	0	0	111.6	I590 F1164 T1165 V1171 A1172	I590-A1168 HydrophobicContact CG2-CB 4.4Å; F1164-A1168 HydrophobicContact CE1-CB 4.36Å; F1164-A1168 VanDerWaalsContact O-CB 3.23Å; F1164-A1168 WeakPolarHBondContact O-CB 3.37Å; F1164-A1168 PolarHBondContact O-N 3.34Å; T1165-A1168 PolarHBondContact O-N 3.31Å; A1168-V1171 WeakPolarHBondContact O-CB 3.27Å; A1168-V1171 PolarHBondContact O-N 2.9Å; A1168-A1172 VanDerWaalsContact O-CB 3.27Å; A1168-A1172 WeakPolarHBondContact O-CB 3.49Å; A1168-A1172 PolarHBondContact O-N 3.15Å
1169	A	66.7	Low	54.4	Low	59 Å²	59	89.8 Å²	89.8	49%	0.488	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-41.7	173.7	0	0	0	0	0	112	T1165 D1166 L1167 A1172 K1173	T1165-A1169 VanDerWaalsContact O-CB 3.23Å; T1165-A1169 WeakPolarHBondContact O-CB 3.4Å; T1165-A1169 PolarHBondContact O-N 3.3Å; D1166-A1169 PolarHBondContact O-N 3.48Å; L1167-A1169 VanDerWaalsContact C-N 3.28Å; L1167-A1169 PolarHBondContact O-N 3.46Å; A1169-A1172 PolarHBondContact O-N 3.37Å; A1169-K1173 PolarHBondContact O-N 2.95Å
1170	M	66	Low	54.4	Low	84 Å²	84	90.1 Å²	90.1	41%	0.414	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-43.7	173.1	-76.6	-173.7	-95.4	0	0	111.8	D1166 L1167 A1172 K1173	D1166-M1170 HydrophobicContact CB-CE 4.33Å; D1166-M1170 WeakPolarHBondContact O-CB 3.39Å; D1166-M1170 WeakPolarHBondContact O-CG 3.48Å; D1166-M1170 PolarHBondContact O-N 2.96Å; L1167-M1170 HydrophobicContact CD2-CE 3.89Å; L1167-M1170 HydrophobicContact CG-CE 4.35Å; L1167-M1170 CarbonylContact O-C 3.58Å; L1167-M1170 WeakPolarHBondContact O-CB 3.21Å; L1167-M1170 PolarHBondContact O-N 3.41Å; M1170-A1172 VanDerWaalsContact C-N 3.3Å; M1170-A1172 PolarHBondContact O-N 2.92Å; M1170-K1173 PolarHBondContact O-N 3.14Å
1171	V	64.7	Low	53.9	Low	1 Å²	1	93.8 Å²	93.8	1%	0.006	51%	0.512	C	S	.	.	H	α-helix	trans	-53.9	-49.3	173.9	167.1	0	0	0	0	109.4	M550 K579 L586 I589 I590 L593 L1167 A1168	M550-V1171 HydrophobicContact CB-CG2 4.49Å; M550-V1171 HydrophobicContact CE-CB 3.92Å; M550-V1171 HydrophobicContact CE-CG1 3.81Å; M550-V1171 HydrophobicContact CE-CG2 3.43Å; M550-V1171 VanDerWaalsContact CE-CG2 3.43Å; M550-V1171 HydrophobicContact SD-CG2 4.01Å; K579-V1171 WeakPolarHBondContact CE-O 3.46Å; K579-V1171 PolarHBondContact NZ-O 2.99Å; L586-V1171 HydrophobicContact CD1-CG1 3.39Å; L586-V1171 WeakPolarHBondContact CD1-O 3.32Å; L586-V1171 HydrophobicContact CG-CG1 4.29Å; I589-V1171 HydrophobicContact CG2-CG1 4.23Å; I590-V1171 HydrophobicContact CD1-CG1 4.22Å; I590-V1171 HydrophobicContact CG1-CB 4.34Å; I590-V1171 HydrophobicContact CG1-CG1 3.5Å; L593-V1171 HydrophobicContact CD1-CG2 3.91Å; L1167-V1171 VanDerWaalsContact O-CB 3.27Å; L1167-V1171 WeakPolarHBondContact O-CB 3.35Å; L1167-V1171 WeakPolarHBondContact O-CG2 3.35Å; L1167-V1171 PolarHBondContact O-N 3.26Å; A1168-V1171 WeakPolarHBondContact O-CB 3.27Å; A1168-V1171 PolarHBondContact O-N 2.9Å
1172	A	67.5	Low	53.6	Low	45 Å²	45	97 Å²	97	37%	0.372	52%	0.517	S	S	.	.	H	α-helix	trans	-78.3	-14.9	-176.6	0	0	0	0	0	115.9	L586 A1168 A1169 M1170 I1174	L586-A1172 HydrophobicContact CD2-CB 3.89Å; A1168-A1172 VanDerWaalsContact O-CB 3.27Å; A1168-A1172 WeakPolarHBondContact O-CB 3.49Å; A1168-A1172 PolarHBondContact O-N 3.15Å; A1169-A1172 PolarHBondContact O-N 3.37Å; M1170-A1172 VanDerWaalsContact C-N 3.3Å; M1170-A1172 PolarHBondContact O-N 2.92Å; A1172-I1174 PolarHBondContact O-N 3.42Å
1173	K	67.1	Low	53.1	Low	159 Å²	159	98.9 Å²	98.9	69%	0.691	53%	0.531	S	S	*	.			trans	-70.5	99.2	174.8	-168.4	177.9	-179.2	-177.8	0	109.4	A1169 M1170 E1175	A1169-K1173 PolarHBondContact O-N 2.95Å; M1170-K1173 PolarHBondContact O-N 3.14Å; K1173-E1175 PolarHBondContact O-N 3.42Å
1174	I	60	Low	51.7	Low	92 Å²	92	105.7 Å²	105.7	47%	0.472	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-76.2	117.1	168	-58	173.6	0	0	0	106.5	A1172 S1176	A1172-I1174 PolarHBondContact O-N 3.42Å; I1174-S1176 PolarHBondContact O-N 2.88Å; I1174-S1176 VanDerWaalsContact O-N 3.15Å
1175	E	56.4	Low	50.2	Low	152 Å²	152	105.4 Å²	105.4	71%	0.71	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-56	124.2	172.7	-70.9	-168.7	162.1	0	0	109.1	K1173 R1177	K1173-E1175 PolarHBondContact O-N 3.42Å; E1175-R1177 PolarHBondContact O-N 2.99Å
1176	S	47.7	Very low	48.4	Very low	106 Å²	106	110.7 Å²	110.7	74%	0.741	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-55.8	126.9	176.1	57.6	0	0	0	0	107.9	I1174 R1178	I1174-S1176 PolarHBondContact O-N 2.88Å; I1174-S1176 VanDerWaalsContact O-N 3.15Å; S1176-R1178 PolarHBondContact O-N 3.45Å
1177	R	41.2	Very low	46.6	Very low	184 Å²	184	115.4 Å²	115.4	69%	0.694	61%	0.608	S	S	*	*			trans	-39.2	111.5	173.2	-65.1	-176.6	172.9	166.6	-0.6	107.4	V184 E1175 G1179	V184-R1177 HydrophobicContact CG2-CB 3.93Å; V184-R1177 HydrophobicContact CG2-CG 3.79Å; E1175-R1177 PolarHBondContact O-N 2.99Å; R1177-G1179 PolarHBondContact O-N 3.21Å
1178	R	39.8	Very low	45.1	Very low	238 Å²	238	122.7 Å²	122.7	90%	0.898	65%	0.646	S	S	*	*			trans	-59.9	92.3	167.8	-84.9	-174.4	179.2	177.9	1.2	105.3	S1176 V1180	S1176-R1178 PolarHBondContact O-N 3.45Å; R1178-V1180 PolarHBondContact O-N 2.96Å
1179	G	34	Very low	43.3	Very low	53 Å²	53	130.7 Å²	130.7	55%	0.546	68%	0.678	S	S	.	*			trans	-55.4	124.5	163.2	0	0	0	0	0	104.5	R1177 T1181	R1177-G1179 PolarHBondContact O-N 3.21Å; G1179-T1181 VanDerWaalsContact C-N 3.28Å; G1179-T1181 PolarHBondContact O-N 3.43Å
1180	V	32.3	Very low	41.6	Very low	136 Å²	136	133.3 Å²	133.3	82%	0.824	68%	0.684	S	S	*	*			trans	-38.4	104.3	158.1	176.9	0	0	0	0	105.7	R1178 L1182	R1178-V1180 PolarHBondContact O-N 2.96Å; V1180-L1182 VanDerWaalsContact C-N 3.26Å; V1180-L1182 PolarHBondContact O-N 3.4Å
1181	T	28.4	Very low	40.1	Very low	126 Å²	126	135 Å²	135	77%	0.773	70%	0.701	S	S	*	*			trans	-66.1	98.6	176	41.8	0	0	0	0	104.8	G1179 D1183	G1179-T1181 VanDerWaalsContact C-N 3.28Å; G1179-T1181 PolarHBondContact O-N 3.43Å; T1181-D1183 PolarHBondContact O-N 3.01Å
1182	L	29.3	Very low	38.7	Very low	152 Å²	152	141.9 Å²	141.9	80%	0.796	74%	0.737	S	S	*	*			trans	-51.5	127.5	151	-78.4	153.8	0	0	0	105.6	V1180 E1184	V1180-L1182 VanDerWaalsContact C-N 3.26Å; V1180-L1182 PolarHBondContact O-N 3.4Å; L1182-E1184 VanDerWaalsContact C-N 3.29Å; L1182-E1184 PolarHBondContact O-N 3.17Å
1183	D	29.2	Very low	37	Very low	170 Å²	170	144 Å²	144	91%	0.909	76%	0.755	S	S	*	*			trans	-50.6	89.5	177.4	-79.8	-42.6	0	0	0	111	T1181	T1181-D1183 PolarHBondContact O-N 3.01Å
1184	E	30.6	Very low	35.4	Very low	186 Å²	186	147.2 Å²	147.2	87%	0.869	76%	0.764	S	S	*	*			trans	-112.2	104	162.2	-74.9	-166.8	174	0	0	107.4	L1182	L1182-E1184 VanDerWaalsContact C-N 3.29Å; L1182-E1184 PolarHBondContact O-N 3.17Å
1185	G	28.7	Very low	34.2	Very low	64 Å²	64	152.7 Å²	152.7	66%	0.66	80%	0.801	S	S	*	*			trans	-59.2	150.1	-174.8	0	0	0	0	0	113.7
1186	K	28.6	Very low	33.1	Very low	193 Å²	193	152.7 Å²	152.7	84%	0.839	81%	0.806	S	S	*	*			trans	56.3	80.7	146.5	-61.5	-178.4	177.7	178.8	0	116.3
1187	F	29.8	Very low	32.3	Very low	190 Å²	190	155.2 Å²	155.2	83%	0.833	81%	0.809	S	S	*	*			trans	-133	91.7	136.4	-83.2	-78.7	0	0	0	109.8	F1189	F1187-F1189 VanDerWaalsContact C-N 3.3Å; F1187-F1189 HydrophobicContact CB-CD2 4.33Å; F1187-F1189 PolarHBondContact O-N 2.75Å
1188	L	30.3	Very low	31.8	Very low	171 Å²	171	153.6 Å²	153.6	90%	0.895	82%	0.815	S	S	*	*			trans	-64.2	87.5	165.5	-80.1	152.9	0	0	0	108.8	N1190	L1188-N1190 PolarHBondContact O-N 3.4Å
1189	F	30.7	Very low	31.3	Very low	183 Å²	183	148.6 Å²	148.6	80%	0.803	81%	0.81	S	S	*	*			trans	-83.6	93.9	162.4	-94.5	-86.7	0	0	0	108.3	F1187 P1191	F1187-F1189 VanDerWaalsContact C-N 3.3Å; F1187-F1189 HydrophobicContact CB-CD2 4.33Å; F1187-F1189 PolarHBondContact O-N 2.75Å; F1189-P1191 VanDerWaalsContact O-CD 3.3Å; F1189-P1191 WeakPolarHBondContact O-CD 3.43Å
1190	N	32	Very low	31.1	Very low	115 Å²	115	154.6 Å²	154.6	62%	0.615	83%	0.827	S	S	*	*			trans	-80.1	110.5	174.8	-164.7	-2.5	0	0	0	108.8	L1188 L1192	L1188-N1190 PolarHBondContact O-N 3.4Å; N1190-L1192 PolarHBondContact O-N 3.45Å
1191	P	33.6	Very low	31.1	Very low	118 Å²	118	155.8 Å²	155.8	77%	0.766	83%	0.827	S	S	*	*	G	3₁₀ helix	trans	-76.6	1.9	-172.9	-11.3	28.2	0	0	0	114.3	F1189 A1193	F1189-P1191 VanDerWaalsContact O-CD 3.3Å; F1189-P1191 WeakPolarHBondContact O-CD 3.43Å; P1191-A1193 VanDerWaalsContact C-N 3.28Å; P1191-A1193 PolarHBondContact O-N 3.45Å
1192	L	35	Very low	31.3	Very low	147 Å²	147	157.9 Å²	157.9	77%	0.77	83%	0.831	S	S	*	*	G	3₁₀ helix	trans	-84.6	11.4	-175.6	-81	160.2	0	0	0	114.8	N1190	N1190-L1192 PolarHBondContact O-N 3.45Å
1193	A	31.7	Very low	31.4	Very low	90 Å²	90	158.4 Å²	158.4	74%	0.744	83%	0.834	S	S	*	*	G	3₁₀ helix	trans	-91.8	3	179	0	0	0	0	0	115	P1191	P1191-A1193 VanDerWaalsContact C-N 3.28Å; P1191-A1193 PolarHBondContact O-N 3.45Å
1194	Y	33.4	Very low	31.6	Very low	226 Å²	226	157.4 Å²	157.4	89%	0.886	83%	0.827	S	S	*	*			trans	-112.5	80.4	168.1	-87.1	-88.3	0	0	0	109.4
1195	V	34.9	Very low	31.7	Very low	206 Å²	206	154.8 Å²	154.8	100%	1.248	82%	0.824	S	S	*	*			trans	-78.4	0	149	172.1	0	0	0	0	107.8

Retrieved 1,195 of 1,195 residues in 344.6 ms (Link to these results)

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