A0A5K4F0U3_SCHMA Loading...

DNA mismatch repair protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F0U3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,168 aa.

						>A0A5K4F0U3_SCHMA|A0A5K4F0U3
MMRSEHYAKMFEKYKWKKQRHPPNSTQSCPITSNDVTGNRVKQNPQAVLNSSSIRSSNLTNSSKLKSHVLLSIVEGRGQSTGEIGLATIDIYSANVELSQFRDTSSYSRTLVKLLLYCPTEIIIPKSGLDPNSCMRKLVKILLSLRNGITLNGVNRNHFNDKQGLHYLRRLCHPHYIPSIYAIKEKFYALSALSALLNYAEEMHGLIYAHKSMKFSFTGSVKSTMIDFKSANHLRLVRNNYDYSAKDTLYSAIDFTSTASGARLLRANLLEPPCDLETILNRQASVRELISSPETLFNIQNILRQFPHIDSLLSLCVQICSTSNLMFDWNNNKSHTNLITRISNKSNELLSSSTKIYTQDTVNHSPLISTIKNKSTGLLFERPTKSSTLLPGSSSSLITPSSEKYCPPKSDMIYFKKAVNIQAAESRITKVIAIKYMLDLVKLLYNAMGDVKTTLLRTYKELLHDSEYEHVLQILCTVLHKDVRMSKGMLAMRTQKCFAIKEGLSVVLDVTRKAYSEQLDDITNEVSRLSRQYNLPLRISHNKARGFYIQIPEESLKTYTKTSSSKPSYSSSTLSNNVNFSNENIFIEAEEETEEEEDEQQGNIQAYKILHTTNRNTVQNRYHHKTLTISELNNNLILQNLPDEFKKSFISKNVVHCTTDSLIRLNGRIKGSLFEVYHIADQIISDLITGLHPDMALFYRLSEVVAGLDLLASFAKMSLTYSLRNHFVCPIFSNILGIKNGRNIVTDEEKKSLSVANHTYASPALNFHVITGPPMCGKTTYLRQIAYIQILAQIGSFVPAEFTSVRLTDQIFFHTEGQDDIILGESSFVNEIRELTYILQNFSRSSIILIDGLCHNTDPDEVEYLNWAICEALLEHKAFTFLATNRYELTSLASFYPNVENYYFSVEEEFLNIYHYEHHNIRTLNRNIYETPYANNSNSIEESPLVHSFSDENYPNTFKMNHYLKSFESIDSVKQDLGQITFTYKLNKGISPKIMYGIKLARLTALPQEILDRAEELLNSYIEEENIDNDDGKTNNRTRTMSDTGNSKQSDKNISFNFQNLQRQVLKTQNNHTDLDVSIPTESSHCTTMTDLKHDISNLKWKNTKKNGYLTVNDRLEHELFRQLQIISKAYQTLNTDQHLSNTEKEDIQHEISNYLKFLEYRYQKLLQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	66.9	Low	190 Å²	190	131.5 Å²	131.5	94%	0.936	62%	0.622	S	S	*	*				0	-51.9	0	-76.8	-173.2	85	0	0	113.1	R3 S4 E5	M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.12Å; M1-S4 PolarHBondContact O-N 3.25Å; M1-S4 PolarHBondContact O-OG 3.23Å; M1-S4 VanDerWaalsContact O-OG 3.04Å; M1-E5 PolarHBondContact O-N 3.41Å
2	M	48.8	Very low	67.8	Low	174 Å²	174	128.1 Å²	128.1	86%	0.857	61%	0.605	S	S	*	*	H	α-helix	trans	-53.4	-36.2	-179	-74.5	-126.3	-158.9	0	0	115.1	S4 H6	M2-S4 PolarHBondContact O-N 3.04Å; M2-H6 PolarHBondContact O-N 3.37Å
3	R	50.4	Low	68.2	Low	211 Å²	211	124.4 Å²	124.4	80%	0.796	59%	0.585	S	S	*	*	H	α-helix	trans	-64.7	-35.7	173.2	-76.3	-174.6	178.4	174.9	-1.1	113.2	M1 Y7	M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.12Å; R3-Y7 HydrophobicContact CB-CE2 4.43Å; R3-Y7 WeakPolarHBondContact O-CD2 3.47Å; R3-Y7 PolarHBondContact O-N 3.13Å
4	S	68.6	Low	68.7	Low	74 Å²	74	122.1 Å²	122.1	52%	0.517	57%	0.569	S	S	.	*	H	α-helix	trans	-74.9	-33	-177.1	74	0	0	0	0	112.9	M1 M2 A8	M1-S4 PolarHBondContact O-N 3.25Å; M1-S4 PolarHBondContact O-OG 3.23Å; M1-S4 VanDerWaalsContact O-OG 3.04Å; M2-S4 PolarHBondContact O-N 3.04Å; S4-A8 WeakPolarHBondContact O-CB 3.34Å; S4-A8 PolarHBondContact O-N 3.29Å
5	E	75.7	Confident	69.4	Low	116 Å²	116	121.1 Å²	121.1	54%	0.542	56%	0.563	S	S	.	*	H	α-helix	trans	-68.5	-40.5	174.8	-78.1	-175.3	-178.8	0	0	112.2	M1 A8 K9	M1-E5 PolarHBondContact O-N 3.41Å; E5-A8 PolarHBondContact O-N 3.45Å; E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 3.44Å
6	H	73.4	Confident	69.8	Low	116 Å²	116	121.8 Å²	121.8	54%	0.537	56%	0.559	S	S	.	*	H	α-helix	trans	-60.7	-49.4	175.7	-179	72.7	0	0	0	111.2	M2 A8 K9 M10	M2-H6 PolarHBondContact O-N 3.37Å; H6-A8 PolarHBondContact O-N 2.91Å; H6-K9 PolarHBondContact O-N 2.99Å; H6-M10 WeakPolarHBondContact O-CG 3.37Å; H6-M10 PolarHBondContact O-N 2.96Å
7	Y	73.8	Confident	69.9	Low	135 Å²	135	122.1 Å²	122.1	53%	0.529	56%	0.559	S	S	.	*	H	α-helix	trans	-64.2	-38.9	175.5	-72.3	-61.8	0	0	0	112.5	R3 K9 M10 F11	R3-Y7 HydrophobicContact CB-CE2 4.43Å; R3-Y7 WeakPolarHBondContact O-CD2 3.47Å; R3-Y7 PolarHBondContact O-N 3.13Å; Y7-K9 PolarHBondContact O-N 3.25Å; Y7-M10 WeakPolarHBondContact O-CB 3.42Å; Y7-M10 PolarHBondContact O-N 3.17Å; Y7-F11 WeakPolarHBondContact O-CB 3.27Å; Y7-F11 WeakPolarHBondContact O-CD2 3.43Å; Y7-F11 WeakPolarHBondContact O-CG 3.47Å; Y7-F11 PolarHBondContact O-N 3.44Å
8	A	76.2	Confident	69.5	Low	53 Å²	53	124.1 Å²	124.1	44%	0.438	57%	0.566	S	S	.	*	H	α-helix	trans	-63.1	-41.2	177.3	0	0	0	0	0	112.5	S4 E5 H6 F11 E12	S4-A8 WeakPolarHBondContact O-CB 3.34Å; S4-A8 PolarHBondContact O-N 3.29Å; E5-A8 PolarHBondContact O-N 3.45Å; H6-A8 PolarHBondContact O-N 2.91Å; A8-F11 PolarHBondContact O-N 2.88Å; A8-E12 PolarHBondContact O-N 3.41Å
9	K	75.4	Confident	68.8	Low	156 Å²	156	123.3 Å²	123.3	68%	0.678	56%	0.562	S	S	*	*	H	α-helix	trans	-64	-44.6	174	-75.7	-178.8	179.9	178.8	0	111.6	E5 H6 Y7 E12 K13	E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 3.44Å; H6-K9 PolarHBondContact O-N 2.99Å; Y7-K9 PolarHBondContact O-N 3.25Å; K9-E12 PolarHBondContact O-N 3.4Å; K9-K13 PolarHBondContact O-N 3.19Å
10	M	71.5	Confident	68	Low	70 Å²	70	129.5 Å²	129.5	35%	0.345	58%	0.581	S	S	.	*	H	α-helix	trans	-58	-49.8	173	-78.4	-79.9	-81	0	0	111	H6 Y7 E12 K13 Y14	H6-M10 WeakPolarHBondContact O-CG 3.37Å; H6-M10 PolarHBondContact O-N 2.96Å; Y7-M10 WeakPolarHBondContact O-CB 3.42Å; Y7-M10 PolarHBondContact O-N 3.17Å; M10-E12 PolarHBondContact O-N 3.18Å; M10-K13 WeakPolarHBondContact O-CB 3.42Å; M10-K13 PolarHBondContact O-N 3.42Å; M10-K13 VanDerWaalsContact O-N 3.11Å; M10-Y14 HydrophobicContact CE-CE2 3.83Å; M10-Y14 WeakPolarHBondContact O-CD2 3.36Å; M10-Y14 PolarHBondContact O-N 3.39Å; M10-Y14 HydrophobicContact SD-CE2 3.79Å
11	F	74.2	Confident	66.9	Low	152 Å²	152	127.8 Å²	127.8	67%	0.667	57%	0.574	S	S	*	*	H	α-helix	trans	-60	-42.1	179.2	-80.5	-61.2	0	0	0	112.5	Y7 A8 K13 Y14 K15	Y7-F11 WeakPolarHBondContact O-CB 3.27Å; Y7-F11 WeakPolarHBondContact O-CD2 3.43Å; Y7-F11 WeakPolarHBondContact O-CG 3.47Å; Y7-F11 PolarHBondContact O-N 3.44Å; A8-F11 PolarHBondContact O-N 2.88Å; F11-K13 VanDerWaalsContact C-N 3.34Å; F11-Y14 PolarHBondContact O-N 2.86Å; F11-K15 WeakPolarHBondContact O-CB 3.23Å; F11-K15 PolarHBondContact O-N 2.95Å
12	E	77.8	Confident	66.8	Low	90 Å²	90	123.4 Å²	123.4	42%	0.421	56%	0.56	S	S	.	*	H	α-helix	trans	-68.6	-29.6	175.8	-86	-62.1	155.5	0	0	113.6	A8 K9 M10 K15	A8-E12 PolarHBondContact O-N 3.41Å; K9-E12 PolarHBondContact O-N 3.4Å; M10-E12 PolarHBondContact O-N 3.18Å; E12-K15 WeakPolarHBondContact OE1-CD 3.47Å; E12-K15 IonicContact OE1-NZ 2.74Å; E12-K15 PolarHBondContact OE1-NZ 3.07Å; E12-K15 WeakPolarHBondContact OE2-CD 3.4Å; E12-K15 IonicContact OE2-NZ 3.91Å
13	K	73.8	Confident	66.6	Low	80 Å²	80	121.1 Å²	121.1	35%	0.348	56%	0.558	S	S	.	*	H	α-helix	trans	-65.2	-46.2	172.9	-175.6	-179.6	174.1	-179.5	0	111.4	K9 M10 F11 R1013 E1024	K9-K13 PolarHBondContact O-N 3.19Å; M10-K13 WeakPolarHBondContact O-CB 3.42Å; M10-K13 PolarHBondContact O-N 3.42Å; M10-K13 VanDerWaalsContact O-N 3.11Å; F11-K13 VanDerWaalsContact C-N 3.34Å; K13-R1013 PolarHBondContact O-NH2 3.24Å; K13-E1024 VanDerWaalsContact NZ-CD 3.31Å; K13-E1024 IonicContact NZ-OE1 3.98Å; K13-E1024 PolarHBondContact NZ-OE1 3Å; K13-E1024 IonicContact NZ-OE2 2.57Å
14	Y	75	Confident	66	Low	92 Å²	92	118.1 Å²	118.1	36%	0.361	56%	0.558	S	S	.	*	H	α-helix	trans	-86.9	-9.9	-177.5	-63.9	-72.8	0	0	0	114.6	M10 F11 W16 R1013 L1017 E1024	M10-Y14 HydrophobicContact CE-CE2 3.83Å; M10-Y14 WeakPolarHBondContact O-CD2 3.36Å; M10-Y14 PolarHBondContact O-N 3.39Å; M10-Y14 HydrophobicContact SD-CE2 3.79Å; F11-Y14 PolarHBondContact O-N 2.86Å; Y14-W16 PolarHBondContact O-N 3.35Å; Y14-R1013 PolarHBondContact O-NH2 3.01Å; Y14-L1017 HydrophobicContact CD1-CD2 3.61Å; Y14-L1017 HydrophobicContact CE1-CD2 4.07Å; Y14-E1024 PolarHBondContact OH-OE2 3.32Å
15	K	78.9	Confident	64.4	Low	108 Å²	108	119.9 Å²	119.9	47%	0.47	57%	0.57	S	S	.	*	S	Bend	trans	-55.8	128.9	-179.6	-166.1	177.1	-171.5	179	0	112.1	F11 E12 K17 R1013	F11-K15 WeakPolarHBondContact O-CB 3.23Å; F11-K15 PolarHBondContact O-N 2.95Å; E12-K15 WeakPolarHBondContact OE1-CD 3.47Å; E12-K15 IonicContact OE1-NZ 2.74Å; E12-K15 PolarHBondContact OE1-NZ 3.07Å; E12-K15 WeakPolarHBondContact OE2-CD 3.4Å; E12-K15 IonicContact OE2-NZ 3.91Å; K15-K17 PolarHBondContact O-N 3.35Å; K15-R1013 PolarHBondContact O-NH2 2.95Å
16	W	76.1	Confident	62.3	Low	131 Å²	131	120.6 Å²	120.6	50%	0.496	58%	0.583	S	S	.	*			trans	-60.3	121.3	173.6	177	-101.1	0	0	0	110.6	Y14 I1010 R1013	Y14-W16 PolarHBondContact O-N 3.35Å; W16-I1010 HydrophobicContact CH2-CG1 3.93Å; W16-R1013 HydrophobicContact CE3-CB 4.44Å; W16-R1013 HydrophobicContact CE3-CG 3.86Å; W16-R1013 HydrophobicContact CH2-CB 4.38Å; W16-R1013 HydrophobicContact CZ3-CB 3.69Å; W16-R1013 HydrophobicContact CZ3-CG 3.61Å
17	K	72	Confident	60.3	Low	128 Å²	128	123.7 Å²	123.7	56%	0.557	60%	0.597	S	S	*	*			trans	-119.2	103.8	174.8	-68	173.9	-171.8	169.9	0	107.2	K15 Q19	K15-K17 PolarHBondContact O-N 3.35Å; K17-Q19 PolarHBondContact O-N 2.83Å
18	K	61.8	Low	58.1	Low	158 Å²	158	122.3 Å²	122.3	69%	0.687	61%	0.607	S	S	*	*			trans	-62	107.7	178.8	-167.6	175	-176	176.3	0	109
19	Q	56.8	Low	55.7	Low	108 Å²	108	124.7 Å²	124.7	51%	0.505	62%	0.62	S	S	.	*			trans	-71	132.8	175.1	-70.2	-170.3	-1.4	0	0	109.1	K17 H21	K17-Q19 PolarHBondContact O-N 2.83Å; Q19-H21 PolarHBondContact O-N 2.64Å
20	R	53.1	Low	53.5	Low	248 Å²	248	123.1 Å²	123.1	94%	0.936	63%	0.625	S	S	*	*			trans	-83.7	90.2	174.5	-69.4	-176.8	-178.8	-178.7	0.2	107.7
21	H	44.2	Very low	51.5	Low	94 Å²	94	127.4 Å²	127.4	44%	0.435	65%	0.648	S	S	.	*			trans	-69.4	136.1	162.6	-74.3	-80.4	0	0	0	108.6	Q19	Q19-H21 PolarHBondContact O-N 2.64Å
22	P	46.2	Very low	49.3	Very low	97 Å²	97	125.6 Å²	125.6	63%	0.63	65%	0.649	S	S	*	*			trans	-58	141.7	171.1	24.5	-30.5	0	0	0	108.3	N24	P22-N24 PolarHBondContact O-N 3.45Å
23	P	43.1	Very low	46.9	Very low	127 Å²	127	125.8 Å²	125.8	83%	0.825	66%	0.661	S	S	*	*			trans	-60.3	104.3	-177.4	24.8	-32.4	0	0	0	108.5	S25	P23-S25 PolarHBondContact O-N 3.38Å
24	N	37.9	Very low	44.7	Very low	148 Å²	148	128.5 Å²	128.5	79%	0.791	68%	0.679	S	S	*	*			trans	-56.7	124.5	166.2	-84.8	-14.3	0	0	0	106.5	P22 T26	P22-N24 PolarHBondContact O-N 3.45Å; N24-T26 PolarHBondContact O-N 3.06Å
25	S	34.8	Very low	42.5	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	70%	0.697	S	S	*	*			trans	-44.7	115.9	-178.9	50.8	0	0	0	0	109.1	P23 Q27	P23-S25 PolarHBondContact O-N 3.38Å; S25-Q27 PolarHBondContact O-N 2.63Å
26	T	32.5	Very low	40.1	Very low	131 Å²	131	132 Å²	132	80%	0.804	71%	0.714	S	S	*	*			trans	-53.4	96.2	177.7	42.1	0	0	0	0	109.7	N24 S28	N24-T26 PolarHBondContact O-N 3.06Å; T26-S28 PolarHBondContact O-N 3.15Å
27	Q	31	Very low	37.8	Very low	181 Å²	181	131.2 Å²	131.2	85%	0.846	72%	0.723	S	S	*	*			trans	-71.5	89.7	150.8	-78.9	-175.1	-8	0	0	105.9	S25 C29	S25-Q27 PolarHBondContact O-N 2.63Å; Q27-C29 VanDerWaalsContact C-N 3.34Å; Q27-C29 PolarHBondContact O-N 3.25Å
28	S	27.7	Very low	35.7	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	73%	0.733	S	S	*	*			trans	-66.7	94.4	168.1	55.2	0	0	0	0	108.3	T26	T26-S28 PolarHBondContact O-N 3.15Å
29	C	26.1	Very low	34.1	Very low	104 Å²	104	127.9 Å²	127.9	70%	0.703	74%	0.737	S	S	*	*			trans	-67.4	129	156.6	-69.1	0	0	0	0	107	Q27 I31	Q27-C29 VanDerWaalsContact C-N 3.34Å; Q27-C29 PolarHBondContact O-N 3.25Å; C29-I31 PolarHBondContact O-N 2.96Å
30	P	28.6	Very low	32.7	Very low	122 Å²	122	134.7 Å²	134.7	79%	0.792	76%	0.758	S	S	*	*			trans	-69.4	103.9	-173.7	27.1	-31	0	0	0	109	T32	P30-T32 PolarHBondContact O-N 2.96Å; P30-T32 VanDerWaalsContact O-N 3.08Å
31	I	29.3	Very low	31.6	Very low	160 Å²	160	128.7 Å²	128.7	82%	0.821	75%	0.749	S	S	*	*			trans	-67.7	106.2	166.3	-60.8	170.4	0	0	0	105.6	C29 S33	C29-I31 PolarHBondContact O-N 2.96Å; I31-S33 PolarHBondContact O-N 2.62Å
32	T	28.2	Very low	30.8	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	77%	0.769	S	S	*	*			trans	-58	107	165.5	41.2	0	0	0	0	107.4	P30 N34	P30-T32 PolarHBondContact O-N 2.96Å; P30-T32 VanDerWaalsContact O-N 3.08Å; T32-N34 PolarHBondContact O-N 3.33Å
33	S	27.1	Very low	29.7	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	78%	0.782	S	S	*	*			trans	-66.5	84	169.7	55.7	0	0	0	0	108	I31 D35	I31-S33 PolarHBondContact O-N 2.62Å; S33-D35 VanDerWaalsContact C-N 3.27Å; S33-D35 PolarHBondContact O-N 3.15Å; S33-D35 VanDerWaalsContact O-N 3.08Å
34	N	28.7	Very low	28.9	Very low	138 Å²	138	139.5 Å²	139.5	74%	0.738	78%	0.782	S	S	*	*			trans	-73	95.6	157.5	-82.6	-13.8	0	0	0	106.4	T32 V36	T32-N34 PolarHBondContact O-N 3.33Å; N34-V36 PolarHBondContact O-N 3.2Å
35	D	27.9	Very low	28.5	Very low	138 Å²	138	138.4 Å²	138.4	74%	0.738	78%	0.783	S	S	*	*			trans	-54	88.5	168	-79	-37.8	0	0	0	109.6	S33 T37	S33-D35 VanDerWaalsContact C-N 3.27Å; S33-D35 PolarHBondContact O-N 3.15Å; S33-D35 VanDerWaalsContact O-N 3.08Å; D35-T37 PolarHBondContact O-N 2.92Å
36	V	28.7	Very low	28	Very low	136 Å²	136	141.8 Å²	141.8	82%	0.824	79%	0.786	S	S	*	*			trans	-73.1	82.8	163.6	-179	0	0	0	0	106.2	N34 G38	N34-V36 PolarHBondContact O-N 3.2Å; V36-G38 PolarHBondContact O-N 3.16Å
37	T	29.2	Very low	27.6	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.693	79%	0.788	S	S	*	*			trans	-55.3	107.5	168.8	43	0	0	0	0	108.6	D35 N39	D35-T37 PolarHBondContact O-N 2.92Å; T37-N39 VanDerWaalsContact C-N 3.33Å; T37-N39 PolarHBondContact O-N 2.94Å
38	G	26.6	Very low	27.3	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	78%	0.781	S	S	*	*			trans	-64.6	88.4	176.4	0	0	0	0	0	111.2	V36 R40	V36-G38 PolarHBondContact O-N 3.16Å; G38-R40 PolarHBondContact O-N 3.2Å; G38-R40 VanDerWaalsContact O-N 3.16Å
39	N	27.9	Very low	27.1	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	79%	0.789	S	S	*	*			trans	-84.3	87.3	166.6	-93.2	-20.1	0	0	0	110	T37 V41	T37-N39 VanDerWaalsContact C-N 3.33Å; T37-N39 PolarHBondContact O-N 2.94Å; N39-V41 HydrophobicContact CB-CG2 4.49Å; N39-V41 PolarHBondContact O-N 3.41Å
40	R	27	Very low	27	Very low	250 Å²	250	142.6 Å²	142.6	94%	0.943	79%	0.794	S	S	*	*			trans	-60.5	92.2	161.2	-129.2	-179.8	-178.5	-179.5	0.8	108.4	G38	G38-R40 PolarHBondContact O-N 3.2Å; G38-R40 VanDerWaalsContact O-N 3.16Å
41	V	30.1	Very low	26.7	Very low	123 Å²	123	142.2 Å²	142.2	75%	0.745	79%	0.794	S	S	*	*			trans	-115.3	115.1	170.5	-177.5	0	0	0	0	109.8	N39 Q43	N39-V41 HydrophobicContact CB-CG2 4.49Å; N39-V41 PolarHBondContact O-N 3.41Å; V41-Q43 PolarHBondContact O-N 3.21Å
42	K	28.7	Very low	26.4	Very low	200 Å²	200	140 Å²	140	87%	0.87	79%	0.792	S	S	*	*			trans	-51.8	129.2	178.9	-70.1	172.2	174.3	176.6	0	111	N44	K42-N44 PolarHBondContact O-N 3.34Å
43	Q	22.6	Very low	26.2	Very low	191 Å²	191	140 Å²	140	89%	0.893	80%	0.797	S	S	*	*			trans	-58.4	118.1	164.7	-68.6	172.9	-7.2	0	0	109.2	V41	V41-Q43 PolarHBondContact O-N 3.21Å
44	N	26.3	Very low	26.1	Very low	154 Å²	154	144 Å²	144	82%	0.824	81%	0.809	S	S	*	*			trans	-139.6	118	156.1	-110.2	-4.9	0	0	0	107.4	K42 Q46	K42-N44 PolarHBondContact O-N 3.34Å; N44-Q46 PolarHBondContact O-N 3.29Å
45	P	29.9	Very low	25.8	Very low	124 Å²	124	146.6 Å²	146.6	81%	0.805	81%	0.809	S	S	*	*			trans	-86.1	114.1	-174.1	32.5	-29.1	0	0	0	109.3
46	Q	24.6	Very low	25.7	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	80%	0.804	S	S	*	*			trans	-125.6	103.9	163.4	-79.4	-172.1	-22.7	0	0	109.3	N44 V48	N44-Q46 PolarHBondContact O-N 3.29Å; Q46-V48 PolarHBondContact O-N 3Å
47	A	24.2	Very low	25.5	Very low	103 Å²	103	143.2 Å²	143.2	85%	0.851	80%	0.802	S	S	*	*			trans	-64.3	107.9	170.4	0	0	0	0	0	109.4
48	V	24.6	Very low	25.3	Very low	113 Å²	113	144.7 Å²	144.7	69%	0.685	81%	0.805	S	S	*	*			trans	-114.6	105.4	166.9	-177.9	0	0	0	0	108	Q46 N50	Q46-V48 PolarHBondContact O-N 3Å; V48-N50 PolarHBondContact O-N 3.38Å; V48-N50 VanDerWaalsContact O-N 3.13Å
49	L	23.6	Very low	25.4	Very low	172 Å²	172	149 Å²	149	90%	0.901	81%	0.81	S	S	*	*			trans	-61.3	100.4	172.5	-75.1	148.1	0	0	0	109.9
50	N	23.6	Very low	25.5	Very low	151 Å²	151	148.6 Å²	148.6	81%	0.807	81%	0.813	S	S	*	*			trans	-103.5	96.4	166.9	-83.7	-17.5	0	0	0	109.9	V48	V48-N50 PolarHBondContact O-N 3.38Å; V48-N50 VanDerWaalsContact O-N 3.13Å
51	S	22.6	Very low	25.5	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	80%	0.803	S	S	*	*			trans	-79.1	113.7	166	61.5	0	0	0	0	109.9
52	S	23.6	Very low	25.5	Very low	112 Å²	112	142 Å²	142	78%	0.783	80%	0.8	S	S	*	*			trans	160.7	95.6	143.7	57.7	0	0	0	0	111.6
53	S	23.5	Very low	25.7	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	79%	0.786	S	S	*	*			trans	174.9	71.6	150.7	44.5	0	0	0	0	111.2	R55	S53-R55 VanDerWaalsContact C-N 3.29Å; S53-R55 PolarHBondContact O-N 3.16Å
54	I	25.3	Very low	26.5	Very low	178 Å²	178	135.6 Å²	135.6	91%	0.913	78%	0.779	S	S	*	*			trans	-74	89.8	165.2	-59.6	173.3	0	0	0	106.9	S56	I54-S56 PolarHBondContact O-N 2.86Å
55	R	22.1	Very low	27.5	Very low	194 Å²	194	132.2 Å²	132.2	73%	0.732	76%	0.761	S	S	*	*			trans	-69.5	113.8	168.3	-109.2	179.4	175.7	-173.7	-3.2	107.6	S53 S57	S53-R55 VanDerWaalsContact C-N 3.29Å; S53-R55 PolarHBondContact O-N 3.16Å; R55-S57 PolarHBondContact O-N 3.25Å
56	S	25	Very low	28.7	Very low	92 Å²	92	135.3 Å²	135.3	64%	0.643	76%	0.762	S	S	*	*			trans	-72.4	107.9	171.4	50.6	0	0	0	0	109.5	I54	I54-S56 PolarHBondContact O-N 2.86Å
57	S	25.8	Very low	31	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	74%	0.74	S	S	*	*			trans	-70.5	144.3	172.5	45.6	0	0	0	0	111.5	R55	R55-S57 PolarHBondContact O-N 3.25Å
58	N	23.7	Very low	33.8	Very low	143 Å²	143	126.5 Å²	126.5	77%	0.765	71%	0.709	S	S	*	*			trans	-62.3	144.2	179	-71.1	-24.6	0	0	0	111.8	T60	N58-T60 VanDerWaalsContact C-N 3.26Å; N58-T60 PolarHBondContact O-N 3.16Å
59	L	29.5	Very low	36.9	Very low	165 Å²	165	121.8 Å²	121.8	86%	0.864	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	26.8	-165.1	-116.9	109.1	0	0	0	115.9
60	T	29.4	Very low	40.2	Very low	134 Å²	134	113.6 Å²	113.6	82%	0.822	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-12.3	175.6	48.3	0	0	0	0	114.7	N58 S62	N58-T60 VanDerWaalsContact C-N 3.26Å; N58-T60 PolarHBondContact O-N 3.16Å; T60-S62 PolarHBondContact O-N 2.84Å
61	N	27.3	Very low	43.6	Very low	140 Å²	140	106.4 Å²	106.4	75%	0.749	60%	0.599	S	S	*	*	S	Bend	trans	-84.6	114.8	161	-83.7	-15.9	0	0	0	107.6	S63	N61-S63 VanDerWaalsContact C-N 3.31Å; N61-S63 PolarHBondContact O-N 3.37Å
62	S	29.4	Very low	47.1	Very low	96 Å²	96	101 Å²	101	67%	0.671	56%	0.561	S	S	*	*			trans	-28.9	95.1	172.1	61.1	0	0	0	0	110.1	T60 K64	T60-S62 PolarHBondContact O-N 2.84Å; S62-K64 PolarHBondContact O-N 3.39Å
63	S	32.5	Very low	50.5	Low	84 Å²	84	95.7 Å²	95.7	59%	0.587	52%	0.524	S	S	*	.			trans	-74.3	75.4	169.1	62	0	0	0	0	102.9	N61 L65	N61-S63 VanDerWaalsContact C-N 3.31Å; N61-S63 PolarHBondContact O-N 3.37Å; S63-L65 PolarHBondContact O-N 3.38Å
64	K	40.6	Very low	53.9	Low	171 Å²	171	91 Å²	91	74%	0.743	49%	0.49	S	S	*	.			trans	-49.3	103.8	169.1	-77.8	-178.8	177.6	178.6	0	102.7	S62 K66	S62-K64 PolarHBondContact O-N 3.39Å; K64-K66 PolarHBondContact O-N 3.29Å
65	L	45.8	Very low	57.1	Low	83 Å²	83	83.1 Å²	83.1	44%	0.435	45%	0.45	S	S	.	.			trans	-49.2	115.8	175.6	-128	90.4	0	0	0	103.7	S63 S67 Y92	S63-L65 PolarHBondContact O-N 3.38Å; L65-S67 PolarHBondContact O-N 3.04Å; L65-Y92 HydrophobicContact CD2-CD1 4.02Å; L65-Y92 HydrophobicContact CD2-CD2 4.27Å; L65-Y92 HydrophobicContact CD2-CG 3.73Å
66	K	56.3	Low	60.2	Low	190 Å²	190	73.9 Å²	73.9	83%	0.826	42%	0.415	S	S	*	.			trans	-67.6	96.3	-175.7	-165.9	178.5	-177.5	-177.5	0	105.4	K64 H68 Y92	K64-K66 PolarHBondContact O-N 3.29Å; K66-H68 PolarHBondContact O-N 3.32Å; K66-Y92 WeakPolarHBondContact O-CE2 3.23Å
67	S	73.1	Confident	62.9	Low	56 Å²	56	74.1 Å²	74.1	39%	0.392	40%	0.402	S	S	.	.			trans	-52.8	128.8	-178.7	52.2	0	0	0	0	108.4	L65 D90	L65-S67 PolarHBondContact O-N 3.04Å; S67-D90 WeakPolarHBondContact CB-OD2 3.42Å
68	H	83.6	Confident	65.7	Low	44 Å²	44	71.7 Å²	71.7	20%	0.204	39%	0.394	C	S	.	.			trans	-113.1	89.1	177.3	-167.1	96	0	0	0	107.4	K66 D90 I91 Y92 E121 H204	K66-H68 PolarHBondContact O-N 3.32Å; H68-D90 PolarHBondContact N-OD1 3.01Å; H68-I91 HydrophobicContact CB-CB 4.39Å; H68-I91 HydrophobicContact CB-CD1 4.21Å; H68-I91 HydrophobicContact CB-CG1 4.43Å; H68-I91 WeakPolarHBondContact CD2-CD1 3.41Å; H68-I91 WeakPolarHBondContact O-CG1 3.45Å; H68-I91 PolarHBondContact O-N 3.15Å; H68-Y92 HydrophobicContact CB-CD2 4.46Å; H68-Y92 HydrophobicContact CB-CE2 4Å; H68-E121 IonicContact CE1-OE1 2.66Å; H68-E121 PolarHBondContact CE1-OE1 3.07Å; H68-E121 VanDerWaalsContact CE1-OE1 3.29Å; H68-E121 IonicContact NE2-OE1 3.6Å; H68-E121 PolarHBondContact NE2-OE1 3.02Å; H68-H204 AromaticContact NE2-CE1 3.78Å
69	V	89.5	Confident	68.3	Low	13 Å²	13	74 Å²	74	8%	0.079	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.6	-173.5	179.2	0	0	0	0	109.2	D90 P119 T120 E121	V69-D90 HydrophobicContact CG2-CB 4.09Å; V69-P119 HydrophobicContact CG1-CB 4.49Å; V69-T120 PolarHBondContact O-N 3.38Å; V69-E121 PolarHBondContact O-N 3.31Å
70	L	92.6	Very high	70.6	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.9	169.9	-55.5	177.9	0	0	0	108.2	T88 I89 I91 E121 L196 A200	L70-T88 WeakPolarHBondContact O-CA 3.26Å; L70-I89 HydrophobicContact CB-CG2 4.05Å; L70-I89 HydrophobicContact CD1-CG2 4.36Å; L70-I89 PolarHBondContact N-O 2.93Å; L70-I89 PolarHBondContact O-N 2.96Å; L70-I91 HydrophobicContact CD1-CD1 4.12Å; L70-I91 HydrophobicContact CD1-CG1 4.08Å; L70-I91 HydrophobicContact CG-CD1 4.27Å; L70-I91 HydrophobicContact CG-CG1 4.2Å; L70-E121 HydrophobicContact CD2-CB 3.73Å; L70-E121 HydrophobicContact CD2-CG 3.76Å; L70-L196 HydrophobicContact CB-CD1 3.66Å; L70-A200 HydrophobicContact CD1-CB 4.12Å
71	L	95	Very high	73.1	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.5	176.9	171	77.3	0	0	0	109.2	I73 L86 A87 T88 L114 Y117 P119 E121 I122 I123	L71-I73 HydrophobicContact CD1-CG1 4.48Å; L71-I73 HydrophobicContact CD2-CD1 3.67Å; L71-I73 HydrophobicContact CD2-CG1 3.86Å; L71-I73 HydrophobicContact CG-CD1 4.26Å; L71-I73 HydrophobicContact CG-CG1 3.87Å; L71-L86 HydrophobicContact CD1-CB 4.14Å; L71-L86 HydrophobicContact CD1-CD2 4.35Å; L71-A87 CarbonylContact C-O 3.38Å; L71-A87 WeakPolarHBondContact CA-O 3.35Å; L71-T88 HydrophobicContact CB-CG2 4.09Å; L71-T88 HydrophobicContact CD1-CG2 3.15Å; L71-T88 HydrophobicContact CG-CG2 4.18Å; L71-L114 HydrophobicContact CD2-CD2 3.21Å; L71-Y117 HydrophobicContact CD1-CD2 4.37Å; L71-P119 HydrophobicContact CB-CB 3.71Å; L71-P119 HydrophobicContact CB-CG 4.33Å; L71-P119 HydrophobicContact CD2-CB 4.22Å; L71-P119 HydrophobicContact CD2-CG 3.91Å; L71-E121 PolarHBondContact N-O 3.42Å; L71-I122 HydrophobicContact CD2-CD1 4.39Å; L71-I122 HydrophobicContact CD2-CG1 4.22Å; L71-I122 CarbonylContact O-C 3.57Å; L71-I122 VanDerWaalsContact O-CA 3.28Å; L71-I122 WeakPolarHBondContact O-CA 3.46Å; L71-I123 PolarHBondContact O-N 3.31Å
72	S	96.2	Very high	75.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.9	167.8	-172	0	0	0	0	111	L86 A87 I123 F159 A192	S72-L86 WeakPolarHBondContact O-CA 3.46Å; S72-A87 PolarHBondContact N-O 2.98Å; S72-A87 PolarHBondContact O-N 3.4Å; S72-I123 WeakPolarHBondContact CA-O 2.97Å; S72-I123 PolarHBondContact OG-O 3.01Å; S72-F159 WeakPolarHBondContact OG-CE1 3.36Å; S72-A192 VanDerWaalsContact CB-O 3.3Å; S72-A192 WeakPolarHBondContact CB-O 3.41Å; S72-A192 PolarHBondContact OG-O 3.42Å
73	I	95.2	Very high	78.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.9	-179	-48	-173.4	0	0	0	109.8	L71 I84 L86 T110 L114 I122 I123 I124 P125 L138 L142	L71-I73 HydrophobicContact CD1-CG1 4.48Å; L71-I73 HydrophobicContact CD2-CD1 3.67Å; L71-I73 HydrophobicContact CD2-CG1 3.86Å; L71-I73 HydrophobicContact CG-CD1 4.26Å; L71-I73 HydrophobicContact CG-CG1 3.87Å; I73-I84 HydrophobicContact CG2-CG2 4.12Å; I73-L86 HydrophobicContact CB-CD2 3.91Å; I73-L86 HydrophobicContact CD1-CD2 3.99Å; I73-L86 HydrophobicContact CG1-CD2 3.54Å; I73-L86 HydrophobicContact CG2-CD2 3.62Å; I73-T110 HydrophobicContact CD1-CG2 4.49Å; I73-L114 HydrophobicContact CD1-CD2 4.39Å; I73-I122 HydrophobicContact CD1-CG2 3.7Å; I73-I122 HydrophobicContact CG1-CG2 3.92Å; I73-I123 PolarHBondContact N-O 3.4Å; I73-I124 HydrophobicContact CB-CG2 4.31Å; I73-P125 WeakPolarHBondContact O-CD 3.49Å; I73-L138 HydrophobicContact CG2-CD2 3.96Å; I73-L142 HydrophobicContact CD1-CD1 4.25Å; I73-L142 HydrophobicContact CD1-CD2 4.42Å
74	V	93.6	Very high	81.5	Confident	15 Å²	15	53.1 Å²	53.1	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.1	171.3	71	0	0	0	0	110.7	G85 P125 F159 Y188 A192	V74-G85 PolarHBondContact N-O 3.11Å; V74-G85 PolarHBondContact O-N 3.46Å; V74-P125 HydrophobicContact CG2-CG 4.17Å; V74-F159 HydrophobicContact CB-CD1 3.92Å; V74-F159 HydrophobicContact CB-CE1 4.09Å; V74-F159 HydrophobicContact CG2-CD1 4.01Å; V74-F159 HydrophobicContact CG2-CE1 4.48Å; V74-Y188 HydrophobicContact CG1-CD1 4.35Å; V74-Y188 WeakPolarHBondContact CG1-O 3.42Å; V74-A192 HydrophobicContact CG1-CB 4.13Å
75	E	92.5	Very high	84	Confident	14 Å²	14	45 Å²	45	7%	0.065	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.5	174.2	-170.7	-173.8	172.3	0	0	110.9	G82 E83 I84 Y107 M135	E75-G82 PolarHBondContact OE1-N 2.85Å; E75-E83 WeakPolarHBondContact CA-O 3.45Å; E75-I84 HydrophobicContact CB-CD1 3.81Å; E75-I84 HydrophobicContact CG-CD1 3.67Å; E75-Y107 PolarHBondContact OE1-OH 3.26Å; E75-Y107 PolarHBondContact OE2-OH 2.89Å; E75-M135 HydrophobicContact CB-CE 4.44Å; E75-M135 HydrophobicContact CB-CG 3.64Å; E75-M135 HydrophobicContact CB-SD 4.22Å; E75-M135 WeakPolarHBondContact OE2-CA 3.34Å; E75-M135 WeakPolarHBondContact OE2-CG 3.43Å
76	G	86.9	Confident	86.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.			trans	-64.8	163.3	172.3	0	0	0	0	0	114	S80 E83 Y188	G76-S80 CarbonylContact C-O 3.5Å; G76-S80 WeakPolarHBondContact CA-O 3.47Å; G76-E83 PolarHBondContact N-O 2.81Å; G76-Y188 VanDerWaalsContact CA-CE1 3.42Å; G76-Y188 VanDerWaalsContact CA-CZ 3.42Å
77	R	83	Confident	88.3	Confident	96 Å²	96	32.1 Å²	32.1	36%	0.362	19%	0.185	S	C	.	.			trans	-130.5	160.3	-176.8	-58.3	-171.3	-174.3	-168.9	3.2	110.9	Q79 S80 S127 R156	R77-Q79 PolarHBondContact O-N 3.42Å; R77-S80 PolarHBondContact O-N 3.49Å; R77-S127 PolarHBondContact NH2-OG 2.94Å; R77-R156 VanDerWaalsContact NH1-CZ 3.32Å; R77-R156 VanDerWaalsContact NH2-CZ 3.26Å
78	G	83.2	Confident	89.3	Confident	60 Å²	60	29.8 Å²	29.8	62%	0.619	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	60.7	-124	-179.4	0	0	0	0	0	111.6	S80 T81	G78-S80 PolarHBondContact O-N 2.88Å; G78-S80 VanDerWaalsContact O-N 3.17Å; G78-T81 VanDerWaalsContact O-CG2 3.29Å; G78-T81 WeakPolarHBondContact O-CG2 3.41Å; G78-T81 PolarHBondContact O-N 3.37Å; G78-T81 PolarHBondContact O-OG1 3.31Å; G78-T81 VanDerWaalsContact O-OG1 3.12Å
79	Q	78.8	Confident	89.6	Confident	192 Å²	192	27.7 Å²	27.7	90%	0.897	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-64	-18.7	179.6	-65.4	-72.2	-11.3	0	0	113.7	R77	R77-Q79 PolarHBondContact O-N 3.42Å
80	S	79.1	Confident	89.5	Confident	40 Å²	40	28 Å²	28	28%	0.28	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-104	15.1	-179.3	-57.8	0	0	0	0	113.2	G76 R77 G78 E83 Y188	G76-S80 CarbonylContact C-O 3.5Å; G76-S80 WeakPolarHBondContact CA-O 3.47Å; R77-S80 PolarHBondContact O-N 3.49Å; G78-S80 PolarHBondContact O-N 2.88Å; G78-S80 VanDerWaalsContact O-N 3.17Å; S80-E83 WeakPolarHBondContact O-CB 3.22Å; S80-E83 PolarHBondContact O-N 3.25Å; S80-E83 VanDerWaalsContact O-N 3.12Å; S80-Y188 WeakPolarHBondContact CB-OH 3.27Å; S80-Y188 PolarHBondContact OG-OH 2.89Å
81	T	81.5	Confident	89	Confident	82 Å²	82	28.7 Å²	28.7	50%	0.503	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	139.9	173.6	46.8	0	0	0	0	111.4	G78 E83	G78-T81 VanDerWaalsContact O-CG2 3.29Å; G78-T81 WeakPolarHBondContact O-CG2 3.41Å; G78-T81 PolarHBondContact O-N 3.37Å; G78-T81 PolarHBondContact O-OG1 3.31Å; G78-T81 VanDerWaalsContact O-OG1 3.12Å; T81-E83 VanDerWaalsContact C-N 3.26Å; T81-E83 PolarHBondContact O-N 2.85Å
82	G	82.5	Confident	88.1	Confident	17 Å²	17	33.6 Å²	33.6	18%	0.175	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-5.2	-174.2	0	0	0	0	0	115	E75 D103	E75-G82 PolarHBondContact OE1-N 2.85Å; G82-D103 PolarHBondContact O-N 3.33Å
83	E	89.2	Confident	87.3	Confident	42 Å²	42	34 Å²	34	20%	0.196	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	121.7	167.3	-165	167.1	-172.7	0	0	110	E75 G76 S80 T81 Q100 Y188	E75-E83 WeakPolarHBondContact CA-O 3.45Å; G76-E83 PolarHBondContact N-O 2.81Å; S80-E83 WeakPolarHBondContact O-CB 3.22Å; S80-E83 PolarHBondContact O-N 3.25Å; S80-E83 VanDerWaalsContact O-N 3.12Å; T81-E83 VanDerWaalsContact C-N 3.26Å; T81-E83 PolarHBondContact O-N 2.85Å; E83-Q100 HydrophobicContact CG-CG 4.18Å; E83-Q100 PolarHBondContact OE1-NE2 3.46Å; E83-Y188 HydrophobicContact CB-CD2 4.16Å; E83-Y188 HydrophobicContact CB-CE2 4.09Å; E83-Y188 HydrophobicContact CG-CD2 3.79Å; E83-Y188 HydrophobicContact CG-CE2 4.08Å
84	I	92.5	Very high	86.4	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.8	-176	-57.2	-66.3	0	0	0	109.2	I73 E75 L86 Q100 F101 D103 Y107 L138	I73-I84 HydrophobicContact CG2-CG2 4.12Å; E75-I84 HydrophobicContact CB-CD1 3.81Å; E75-I84 HydrophobicContact CG-CD1 3.67Å; I84-L86 HydrophobicContact CG2-CD2 3.71Å; I84-L86 HydrophobicContact CG2-CG 3.96Å; I84-Q100 VanDerWaalsContact O-CA 3.28Å; I84-Q100 WeakPolarHBondContact O-CA 3.37Å; I84-F101 HydrophobicContact CB-CE2 4.37Å; I84-F101 PolarHBondContact N-O 2.94Å; I84-F101 PolarHBondContact O-N 2.95Å; I84-F101 VanDerWaalsContact O-N 3.12Å; I84-D103 HydrophobicContact CG1-CB 3.91Å; I84-Y107 HydrophobicContact CD1-CD1 4.08Å; I84-Y107 HydrophobicContact CD1-CE1 3.91Å; I84-Y107 HydrophobicContact CG1-CD1 4.42Å; I84-L138 HydrophobicContact CD1-CD2 4.22Å
85	G	94.4	Very high	86	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.2	166.9	0	0	0	0	0	110.4	V74	V74-G85 PolarHBondContact N-O 3.11Å; V74-G85 PolarHBondContact O-N 3.46Å
86	L	95.3	Very high	86	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.3	175.3	-52.4	175.5	0	0	0	109.9	L71 S72 I73 I84 L98 S99 F101 T110 K113	L71-L86 HydrophobicContact CD1-CB 4.14Å; L71-L86 HydrophobicContact CD1-CD2 4.35Å; S72-L86 WeakPolarHBondContact O-CA 3.46Å; I73-L86 HydrophobicContact CB-CD2 3.91Å; I73-L86 HydrophobicContact CD1-CD2 3.99Å; I73-L86 HydrophobicContact CG1-CD2 3.54Å; I73-L86 HydrophobicContact CG2-CD2 3.62Å; I84-L86 HydrophobicContact CG2-CD2 3.71Å; I84-L86 HydrophobicContact CG2-CG 3.96Å; L86-L98 WeakPolarHBondContact O-CA 3.27Å; L86-S99 WeakPolarHBondContact CB-OG 3.44Å; L86-S99 WeakPolarHBondContact CD1-OG 3.04Å; L86-S99 PolarHBondContact N-O 3.19Å; L86-S99 PolarHBondContact O-N 3.26Å; L86-F101 HydrophobicContact CD1-CE1 3.94Å; L86-F101 HydrophobicContact CD1-CZ 3.9Å; L86-T110 HydrophobicContact CD2-CG2 4.38Å; L86-K113 HydrophobicContact CD1-CB 3.81Å; L86-K113 HydrophobicContact CD1-CG 4.04Å
87	A	96	Very high	86.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.9	168.2	0	0	0	0	0	109.1	L71 S72 E97 L98 A192 L193 L196	L71-A87 CarbonylContact C-O 3.38Å; L71-A87 WeakPolarHBondContact CA-O 3.35Å; S72-A87 PolarHBondContact N-O 2.98Å; S72-A87 PolarHBondContact O-N 3.4Å; A87-E97 WeakPolarHBondContact CA-O 3.18Å; A87-L98 HydrophobicContact CB-CD2 3.39Å; A87-A192 HydrophobicContact CB-CB 3.88Å; A87-L193 HydrophobicContact CB-CB 4.19Å; A87-L196 HydrophobicContact CB-CB 4.38Å; A87-L196 HydrophobicContact CB-CD2 3.79Å
88	T	94.1	Very high	86.7	Confident	7 Å²	7	31.6 Å²	31.6	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.3	176.5	53.6	0	0	0	0	112.2	L70 L71 V96 E97 Y117	L70-T88 WeakPolarHBondContact O-CA 3.26Å; L71-T88 HydrophobicContact CB-CG2 4.09Å; L71-T88 HydrophobicContact CD1-CG2 3.15Å; L71-T88 HydrophobicContact CG-CG2 4.18Å; T88-V96 WeakPolarHBondContact O-CA 3.28Å; T88-E97 PolarHBondContact N-O 3.35Å; T88-E97 PolarHBondContact O-N 3.05Å; T88-E97 VanDerWaalsContact O-N 3.13Å; T88-E97 WeakPolarHBondContact OG1-CB 3.32Å; T88-E97 PolarHBondContact OG1-O 3.17Å; T88-Y117 HydrophobicContact CG2-CD1 4.06Å; T88-Y117 HydrophobicContact CG2-CD2 3.56Å; T88-Y117 HydrophobicContact CG2-CE1 4.37Å; T88-Y117 HydrophobicContact CG2-CE2 3.88Å; T88-Y117 HydrophobicContact CG2-CG 3.67Å
89	I	90.9	Very high	87.1	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	130.4	167.2	-164.9	166.1	0	0	0	108.6	L70 V96 L196 L197 Y208 M213	L70-I89 HydrophobicContact CB-CG2 4.05Å; L70-I89 HydrophobicContact CD1-CG2 4.36Å; L70-I89 PolarHBondContact N-O 2.93Å; L70-I89 PolarHBondContact O-N 2.96Å; I89-V96 HydrophobicContact CD1-CG2 3.77Å; I89-V96 HydrophobicContact CG1-CG2 4.28Å; I89-L196 HydrophobicContact CB-CD2 4.03Å; I89-L196 HydrophobicContact CG2-CD1 4Å; I89-L196 HydrophobicContact CG2-CD2 3.79Å; I89-L196 HydrophobicContact CG2-CG 3.91Å; I89-L197 HydrophobicContact CD1-CD2 4.32Å; I89-Y208 HydrophobicContact CD1-CE1 4.06Å; I89-Y208 HydrophobicContact CD1-CE2 3.78Å; I89-Y208 WeakPolarHBondContact CD1-OH 3.4Å; I89-M213 HydrophobicContact CD1-SD 4.33Å
90	D	87.5	Confident	87.8	Confident	18 Å²	18	20.3 Å²	20.3	10%	0.096	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.4	165.4	-176.7	-9.4	0	0	0	107.6	S67 H68 V69 Y92 S93	S67-D90 WeakPolarHBondContact CB-OD2 3.42Å; H68-D90 PolarHBondContact N-OD1 3.01Å; V69-D90 HydrophobicContact CG2-CB 4.09Å; D90-Y92 PolarHBondContact O-N 3.14Å; D90-Y92 PolarHBondContact OD1-N 3.35Å; D90-S93 WeakPolarHBondContact CB-OG 3.27Å; D90-S93 CarbonylContact O-C 3.56Å; D90-S93 PolarHBondContact O-N 3Å
91	I	81.4	Confident	88.3	Confident	16 Å²	16	19 Å²	19	8%	0.082	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.5	177.9	-62.6	-178	0	0	0	111.4	H68 L70 H204 L206 S314 Q318	H68-I91 HydrophobicContact CB-CB 4.39Å; H68-I91 HydrophobicContact CB-CD1 4.21Å; H68-I91 HydrophobicContact CB-CG1 4.43Å; H68-I91 WeakPolarHBondContact CD2-CD1 3.41Å; H68-I91 WeakPolarHBondContact O-CG1 3.45Å; H68-I91 PolarHBondContact O-N 3.15Å; L70-I91 HydrophobicContact CD1-CD1 4.12Å; L70-I91 HydrophobicContact CD1-CG1 4.08Å; L70-I91 HydrophobicContact CG-CD1 4.27Å; L70-I91 HydrophobicContact CG-CG1 4.2Å; I91-H204 HydrophobicContact CD1-CB 4.45Å; I91-L206 HydrophobicContact CB-CD1 4.16Å; I91-L206 HydrophobicContact CD1-CD1 3.98Å; I91-L206 HydrophobicContact CG1-CD1 3.7Å; I91-L206 HydrophobicContact CG2-CD1 3.68Å; I91-L206 HydrophobicContact CG2-CD2 3.99Å; I91-L206 HydrophobicContact CG2-CG 4.47Å; I91-S314 PolarHBondContact O-OG 3.04Å; I91-Q318 PolarHBondContact O-NE2 3.05Å
92	Y	76.6	Confident	88.5	Confident	104 Å²	104	23.6 Å²	23.6	41%	0.408	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	10.2	178.5	-55	-67.7	0	0	0	114.2	L65 K66 H68 D90 S311 S314	L65-Y92 HydrophobicContact CD2-CD1 4.02Å; L65-Y92 HydrophobicContact CD2-CD2 4.27Å; L65-Y92 HydrophobicContact CD2-CG 3.73Å; K66-Y92 WeakPolarHBondContact O-CE2 3.23Å; H68-Y92 HydrophobicContact CB-CD2 4.46Å; H68-Y92 HydrophobicContact CB-CE2 4Å; D90-Y92 PolarHBondContact O-N 3.14Å; D90-Y92 PolarHBondContact OD1-N 3.35Å; Y92-S311 WeakPolarHBondContact O-CA 3.18Å; Y92-S314 VanDerWaalsContact C-CB 3.45Å; Y92-S314 VanDerWaalsContact C-OG 3.31Å; Y92-S314 WeakPolarHBondContact CA-OG 2.87Å; Y92-S314 WeakPolarHBondContact O-CB 3.41Å
93	S	78.1	Confident	88.6	Confident	8 Å²	8	23.5 Å²	23.5	6%	0.056	10%	0.102	C	C	.	.	S	Bend	trans	-135.1	133.6	171.2	85.1	0	0	0	0	110.6	D90 N95	D90-S93 WeakPolarHBondContact CB-OG 3.27Å; D90-S93 CarbonylContact O-C 3.56Å; D90-S93 PolarHBondContact O-N 3Å; S93-N95 PolarHBondContact O-N 3.47Å
94	A	76.8	Confident	88.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.103	C	C	.	.			trans	-81.2	42.1	179.1	0	0	0	0	0	112.7	K214 V317 Y699	A94-K214 PolarHBondContact O-N 3.3Å; A94-V317 HydrophobicContact CB-CB 3.62Å; A94-V317 HydrophobicContact CB-CG1 3.66Å; A94-V317 HydrophobicContact CB-CG2 3.72Å; A94-Y699 PolarHBondContact O-OH 3.24Å; A94-Y699 VanDerWaalsContact O-OH 3.07Å
95	N	86	Confident	87.6	Confident	26 Å²	26	27.2 Å²	27.2	14%	0.139	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.4	-173.9	-57.7	-23.4	0	0	0	109.1	S93 K214 D310 Y699	S93-N95 PolarHBondContact O-N 3.47Å; N95-K214 HydrophobicContact CB-CB 4.43Å; N95-K214 VanDerWaalsContact OD1-CB 3.31Å; N95-K214 WeakPolarHBondContact OD1-CB 3.47Å; N95-D310 PolarHBondContact ND2-OD1 3.02Å; N95-Y699 VanDerWaalsContact OD1-CE1 3.24Å; N95-Y699 WeakPolarHBondContact OD1-CE1 3.31Å
96	V	91.2	Very high	86.8	Confident	1 Å²	1	29 Å²	29	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.3	170.7	171.5	0	0	0	0	108.4	T88 I89 L98 L193 M213 K214 F215 S216	T88-V96 WeakPolarHBondContact O-CA 3.28Å; I89-V96 HydrophobicContact CD1-CG2 3.77Å; I89-V96 HydrophobicContact CG1-CG2 4.28Å; V96-L98 HydrophobicContact CG1-CD2 3.91Å; V96-L98 HydrophobicContact CG1-CG 4.24Å; V96-L193 HydrophobicContact CG1-CD1 3.52Å; V96-L193 HydrophobicContact CG2-CD1 4.48Å; V96-M213 HydrophobicContact CG2-CE 4.06Å; V96-M213 HydrophobicContact CG2-SD 4.09Å; V96-K214 PolarHBondContact N-O 2.74Å; V96-F215 WeakPolarHBondContact O-CA 3.36Å; V96-S216 PolarHBondContact O-N 3.05Å
97	E	91.6	Very high	86.4	Confident	48 Å²	48	29.5 Å²	29.5	22%	0.224	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.9	174.4	-176.7	176.2	160.6	0	0	110	A87 T88 Y117 S216 T218	A87-E97 WeakPolarHBondContact CA-O 3.18Å; T88-E97 PolarHBondContact N-O 3.35Å; T88-E97 PolarHBondContact O-N 3.05Å; T88-E97 VanDerWaalsContact O-N 3.13Å; T88-E97 WeakPolarHBondContact OG1-CB 3.32Å; T88-E97 PolarHBondContact OG1-O 3.17Å; E97-Y117 VanDerWaalsContact CD-CE1 3.48Å; E97-Y117 HydrophobicContact CG-CE1 4.36Å; E97-Y117 WeakPolarHBondContact OE1-CE1 3.4Å; E97-Y117 PolarHBondContact OE1-OH 2.95Å; E97-Y117 WeakPolarHBondContact OE2-CE1 3.4Å; E97-S216 WeakPolarHBondContact CA-O 3.34Å; E97-S216 WeakPolarHBondContact CB-OG 3.44Å; E97-S216 WeakPolarHBondContact CG-OG 3.45Å; E97-T218 HydrophobicContact CG-CG2 4.35Å; E97-T218 VanDerWaalsContact OE1-CG2 3.27Å; E97-T218 WeakPolarHBondContact OE1-CG2 3.3Å
98	L	94.2	Very high	85.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.2	178.4	-60.3	-170.8	0	0	0	110.1	L86 A87 V96 I183 A189 L190 L193 F215 S216 F217 T218	L86-L98 WeakPolarHBondContact O-CA 3.27Å; A87-L98 HydrophobicContact CB-CD2 3.39Å; V96-L98 HydrophobicContact CG1-CD2 3.91Å; V96-L98 HydrophobicContact CG1-CG 4.24Å; L98-I183 HydrophobicContact CD1-CD1 3.86Å; L98-A189 HydrophobicContact CB-CB 4.25Å; L98-A189 HydrophobicContact CD1-CB 4.46Å; L98-L190 HydrophobicContact CD1-CD2 4.42Å; L98-L193 HydrophobicContact CD1-CB 4.5Å; L98-L193 HydrophobicContact CD1-CD2 4.08Å; L98-L193 HydrophobicContact CD2-CB 3.86Å; L98-L193 HydrophobicContact CD2-CD1 4.14Å; L98-L193 HydrophobicContact CD2-CD2 4.34Å; L98-L193 HydrophobicContact CD2-CG 4.33Å; L98-F215 HydrophobicContact CB-CE2 4.19Å; L98-F215 HydrophobicContact CD1-CD2 4.43Å; L98-F215 HydrophobicContact CD1-CE2 3.65Å; L98-F215 HydrophobicContact CD1-CZ 4.47Å; L98-F215 HydrophobicContact CG-CD2 4.41Å; L98-F215 HydrophobicContact CG-CE2 3.82Å; L98-S216 PolarHBondContact N-O 3.39Å; L98-F217 HydrophobicContact CB-CD2 3.89Å; L98-F217 CarbonylContact O-C 3.53Å; L98-F217 VanDerWaalsContact O-CA 3.25Å; L98-F217 WeakPolarHBondContact O-CA 3.2Å; L98-T218 PolarHBondContact O-N 3.03Å
99	S	92.3	Very high	85.2	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.3	165.8	69.9	0	0	0	0	111.2	L86 T218	L86-S99 WeakPolarHBondContact CB-OG 3.44Å; L86-S99 WeakPolarHBondContact CD1-OG 3.04Å; L86-S99 PolarHBondContact N-O 3.19Å; L86-S99 PolarHBondContact O-N 3.26Å; S99-T218 WeakPolarHBondContact CA-O 3.48Å; S99-T218 WeakPolarHBondContact CB-O 3.39Å; S99-T218 WeakPolarHBondContact CB-OG1 3.44Å
100	Q	93.4	Very high	85.1	Confident	13 Å²	13	33.5 Å²	33.5	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	123.5	171.3	-175.6	172	-42.6	0	0	109.4	E83 I84 K186 A189 F217	E83-Q100 HydrophobicContact CG-CG 4.18Å; E83-Q100 PolarHBondContact OE1-NE2 3.46Å; I84-Q100 VanDerWaalsContact O-CA 3.28Å; I84-Q100 WeakPolarHBondContact O-CA 3.37Å; Q100-K186 HydrophobicContact CB-CD 4.5Å; Q100-K186 VanDerWaalsContact OE1-CA 3.25Å; Q100-K186 PolarHBondContact OE1-O 3.46Å; Q100-A189 HydrophobicContact CB-CB 3.96Å; Q100-F217 HydrophobicContact CB-CE2 4.12Å; Q100-F217 HydrophobicContact CB-CZ 4.19Å
101	F	89.4	Confident	85.1	Confident	13 Å²	13	33.6 Å²	33.6	6%	0.057	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.2	-179.8	50.9	-96.3	0	0	0	110.8	I84 L86 D103 R109 K113	I84-F101 HydrophobicContact CB-CE2 4.37Å; I84-F101 PolarHBondContact N-O 2.94Å; I84-F101 PolarHBondContact O-N 2.95Å; I84-F101 VanDerWaalsContact O-N 3.12Å; L86-F101 HydrophobicContact CD1-CE1 3.94Å; L86-F101 HydrophobicContact CD1-CZ 3.9Å; F101-D103 HydrophobicContact CD2-CB 4.27Å; F101-D103 HydrophobicContact CE2-CB 4.18Å; F101-R109 HydrophobicContact CD2-CB 3.91Å; F101-R109 HydrophobicContact CE2-CB 3.44Å; F101-R109 VanDerWaalsContact CE2-CB 3.44Å; F101-R109 HydrophobicContact CZ-CB 4.05Å; F101-K113 HydrophobicContact CE1-CG 4.03Å; F101-K113 HydrophobicContact CZ-CG 4.1Å
102	R	84.1	Confident	85.2	Confident	179 Å²	179	33 Å²	33	68%	0.675	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	127	165.3	-172.9	177	-67.9	-177.5	-2.2	108.2	R109	R102-R109 PolarHBondContact O-NH1 3.38Å
103	D	85.6	Confident	85.7	Confident	15 Å²	15	28.6 Å²	28.6	8%	0.08	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-101.9	166.9	178.9	-148.5	-18.1	0	0	0	111.4	G82 I84 F101 Y107 S108 R109 T110	G82-D103 PolarHBondContact O-N 3.33Å; I84-D103 HydrophobicContact CG1-CB 3.91Å; F101-D103 HydrophobicContact CD2-CB 4.27Å; F101-D103 HydrophobicContact CE2-CB 4.18Å; D103-Y107 VanDerWaalsContact OD2-C 3.28Å; D103-Y107 VanDerWaalsContact OD2-CA 3.28Å; D103-Y107 WeakPolarHBondContact OD2-CA 3.32Å; D103-S108 PolarHBondContact OD1-N 2.75Å; D103-R109 WeakPolarHBondContact OD1-CB 3.28Å; D103-R109 PolarHBondContact OD1-N 3.16Å; D103-R109 VanDerWaalsContact OD1-N 3.1Å; D103-T110 VanDerWaalsContact OD2-CB 3.25Å; D103-T110 WeakPolarHBondContact OD2-CB 3.12Å; D103-T110 PolarHBondContact OD2-N 2.97Å; D103-T110 PolarHBondContact OD2-OG1 2.94Å
104	T	80.6	Confident	86.2	Confident	34 Å²	34	28.8 Å²	28.8	21%	0.209	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-78.9	166.1	171.8	62.6	0	0	0	0	110.3	S106 Y107 S108	T104-S106 PolarHBondContact O-N 3.4Å; T104-S106 VanDerWaalsContact O-N 3.11Å; T104-S106 PolarHBondContact OG1-OG 3.46Å; T104-S106 VanDerWaalsContact OG1-OG 3.05Å; T104-Y107 PolarHBondContact O-N 3.49Å; T104-S108 PolarHBondContact OG1-N 3.28Å; T104-S108 PolarHBondContact OG1-OG 2.84Å
105	S	79.3	Confident	86.4	Confident	86 Å²	86	29.5 Å²	29.5	60%	0.601	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.2	178.4	72.7	0	0	0	0	113.4	K137	S105-K137 WeakPolarHBondContact O-CE 3.34Å; S105-K137 PolarHBondContact O-NZ 2.92Å
106	S	78.4	Confident	86.3	Confident	36 Å²	36	29.7 Å²	29.7	25%	0.252	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.6	174.6	58.2	0	0	0	0	113.7	T104 S108 Y837	T104-S106 PolarHBondContact O-N 3.4Å; T104-S106 VanDerWaalsContact O-N 3.11Å; T104-S106 PolarHBondContact OG1-OG 3.46Å; T104-S106 VanDerWaalsContact OG1-OG 3.05Å; S106-S108 PolarHBondContact O-N 2.86Å; S106-Y837 WeakPolarHBondContact OG-CE2 3.09Å
107	Y	87	Confident	86	Confident	13 Å²	13	30.8 Å²	30.8	5%	0.051	15%	0.15	C	C	.	.			trans	59.2	30.1	-176.8	-56.2	-84	0	0	0	114.3	E75 I84 D103 T104 R109 T110 L111 K137 L138 I141	E75-Y107 PolarHBondContact OE1-OH 3.26Å; E75-Y107 PolarHBondContact OE2-OH 2.89Å; I84-Y107 HydrophobicContact CD1-CD1 4.08Å; I84-Y107 HydrophobicContact CD1-CE1 3.91Å; I84-Y107 HydrophobicContact CG1-CD1 4.42Å; D103-Y107 VanDerWaalsContact OD2-C 3.28Å; D103-Y107 VanDerWaalsContact OD2-CA 3.28Å; D103-Y107 WeakPolarHBondContact OD2-CA 3.32Å; T104-Y107 PolarHBondContact O-N 3.49Å; Y107-R109 VanDerWaalsContact C-N 3.29Å; Y107-R109 PolarHBondContact O-N 3.45Å; Y107-T110 WeakPolarHBondContact O-CB 3.25Å; Y107-T110 PolarHBondContact O-N 3.15Å; Y107-T110 VanDerWaalsContact O-N 3.14Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 2.83Å; Y107-K137 HydrophobicContact CE2-CB 4.06Å; Y107-K137 HydrophobicContact CE2-CD 4.06Å; Y107-K137 HydrophobicContact CE2-CG 3.97Å; Y107-L138 HydrophobicContact CD1-CB 4.36Å; Y107-L138 HydrophobicContact CD1-CD1 3.91Å; Y107-L138 HydrophobicContact CD1-CD2 4.43Å; Y107-L138 HydrophobicContact CD1-CG 4.46Å; Y107-L138 HydrophobicContact CD2-CB 4.3Å; Y107-L138 HydrophobicContact CD2-CD1 4.24Å; Y107-L138 HydrophobicContact CE1-CB 3.95Å; Y107-L138 HydrophobicContact CE1-CD1 4.35Å; Y107-L138 HydrophobicContact CE1-CD2 4.27Å; Y107-L138 HydrophobicContact CE1-CG 4.42Å; Y107-L138 HydrophobicContact CE2-CB 3.89Å; Y107-L138 HydrophobicContact CG-CD1 3.84Å; Y107-I141 HydrophobicContact CD2-CD1 3.65Å; Y107-I141 HydrophobicContact CE2-CD1 4.27Å
108	S	81.9	Confident	85.5	Confident	6 Å²	6	30.1 Å²	30.1	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-39.2	-171.8	56.1	0	0	0	0	113.2	D103 T104 S106 L111 V112 Y837	D103-S108 PolarHBondContact OD1-N 2.75Å; T104-S108 PolarHBondContact OG1-N 3.28Å; T104-S108 PolarHBondContact OG1-OG 2.84Å; S106-S108 PolarHBondContact O-N 2.86Å; S108-L111 PolarHBondContact O-N 3.27Å; S108-V112 WeakPolarHBondContact O-CG2 3.42Å; S108-V112 PolarHBondContact O-N 3.44Å; S108-V112 VanDerWaalsContact O-N 3.09Å; S108-Y837 WeakPolarHBondContact CB-OH 3.5Å; S108-Y837 PolarHBondContact OG-OH 2.92Å
109	R	83.8	Confident	85.3	Confident	85 Å²	85	30.4 Å²	30.4	32%	0.321	15%	0.152	S	C	.	.	H	α-helix	trans	-70.1	-40.8	178.7	-66.3	175.3	174.2	178.9	-8	111.8	F101 R102 D103 Y107 L111 V112 K113 S220 M225	F101-R109 HydrophobicContact CD2-CB 3.91Å; F101-R109 HydrophobicContact CE2-CB 3.44Å; F101-R109 VanDerWaalsContact CE2-CB 3.44Å; F101-R109 HydrophobicContact CZ-CB 4.05Å; R102-R109 PolarHBondContact O-NH1 3.38Å; D103-R109 WeakPolarHBondContact OD1-CB 3.28Å; D103-R109 PolarHBondContact OD1-N 3.16Å; D103-R109 VanDerWaalsContact OD1-N 3.1Å; Y107-R109 VanDerWaalsContact C-N 3.29Å; Y107-R109 PolarHBondContact O-N 3.45Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 3.2Å; R109-V112 PolarHBondContact O-N 2.86Å; R109-K113 WeakPolarHBondContact O-CG 3.3Å; R109-K113 PolarHBondContact O-N 3.35Å; R109-S220 VanDerWaalsContact CZ-OG 3.31Å; R109-S220 PolarHBondContact NH1-OG 3.26Å; R109-S220 VanDerWaalsContact NH1-OG 3.12Å; R109-M225 HydrophobicContact CG-CE 4.48Å; R109-M225 HydrophobicContact CG-SD 3.8Å
110	T	88.5	Confident	85.1	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-42.6	173.9	-58.9	0	0	0	0	110.8	I73 L86 D103 Y107 V112 K113 L114 L138	I73-T110 HydrophobicContact CD1-CG2 4.49Å; L86-T110 HydrophobicContact CD2-CG2 4.38Å; D103-T110 VanDerWaalsContact OD2-CB 3.25Å; D103-T110 WeakPolarHBondContact OD2-CB 3.12Å; D103-T110 PolarHBondContact OD2-N 2.97Å; D103-T110 PolarHBondContact OD2-OG1 2.94Å; Y107-T110 WeakPolarHBondContact O-CB 3.25Å; Y107-T110 PolarHBondContact O-N 3.15Å; Y107-T110 VanDerWaalsContact O-N 3.14Å; T110-V112 PolarHBondContact O-N 3.18Å; T110-K113 PolarHBondContact O-N 3.07Å; T110-L114 WeakPolarHBondContact O-CG 3.36Å; T110-L114 PolarHBondContact O-N 3.16Å; T110-L138 HydrophobicContact CG2-CD1 4.39Å
111	L	87	Confident	85.1	Confident	20 Å²	20	33 Å²	33	11%	0.105	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-38.5	178	-65.2	-178.6	0	0	0	113.1	Y107 S108 R109 L114 L115 I141 L145 F228	Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 2.83Å; S108-L111 PolarHBondContact O-N 3.27Å; R109-L111 VanDerWaalsContact C-N 3.28Å; R109-L111 PolarHBondContact O-N 3.2Å; L111-L114 HydrophobicContact CD2-CD1 3.94Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.09Å; L111-L115 PolarHBondContact O-N 3.14Å; L111-L115 VanDerWaalsContact O-N 3.07Å; L111-I141 HydrophobicContact CD1-CG2 4.19Å; L111-I141 HydrophobicContact CD2-CG2 3.78Å; L111-I141 HydrophobicContact CG-CG2 4.46Å; L111-L145 HydrophobicContact CD2-CD1 3.53Å; L111-F228 HydrophobicContact CB-CB 3.74Å; L111-F228 HydrophobicContact CB-CD2 4.05Å; L111-F228 HydrophobicContact CB-CG 4.11Å; L111-F228 HydrophobicContact CD1-CB 4.18Å; L111-F228 HydrophobicContact CD1-CG 4.43Å
112	V	84.2	Confident	85.3	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.024	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-42.9	173.7	175.1	0	0	0	0	110.8	S108 R109 T110 L114 L115 L116 M225 I226 E271	S108-V112 WeakPolarHBondContact O-CG2 3.42Å; S108-V112 PolarHBondContact O-N 3.44Å; S108-V112 VanDerWaalsContact O-N 3.09Å; R109-V112 PolarHBondContact O-N 2.86Å; T110-V112 PolarHBondContact O-N 3.18Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 3.16Å; V112-L115 WeakPolarHBondContact O-CB 3.38Å; V112-L115 PolarHBondContact O-N 3.39Å; V112-L116 PolarHBondContact O-N 3.26Å; V112-M225 HydrophobicContact CG2-SD 4.46Å; V112-I226 WeakPolarHBondContact CG2-O 3.44Å; V112-E271 HydrophobicContact CG1-CG 3.98Å
113	K	86.7	Confident	85.8	Confident	11 Å²	11	24 Å²	24	5%	0.048	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-34.1	173	-70.1	-61.3	-175.4	-166.4	0	112.5	L86 F101 R109 T110 L116 Y117 E271	L86-K113 HydrophobicContact CD1-CB 3.81Å; L86-K113 HydrophobicContact CD1-CG 4.04Å; F101-K113 HydrophobicContact CE1-CG 4.03Å; F101-K113 HydrophobicContact CZ-CG 4.1Å; R109-K113 WeakPolarHBondContact O-CG 3.3Å; R109-K113 PolarHBondContact O-N 3.35Å; T110-K113 PolarHBondContact O-N 3.07Å; K113-L116 HydrophobicContact CD-CD2 4.06Å; K113-L116 WeakPolarHBondContact O-CB 3.3Å; K113-L116 PolarHBondContact O-N 3.36Å; K113-Y117 HydrophobicContact CB-CD2 4.19Å; K113-Y117 HydrophobicContact CB-CE2 3.92Å; K113-Y117 HydrophobicContact CD-CE2 3.97Å; K113-Y117 HydrophobicContact CG-CE2 4.38Å; K113-Y117 WeakPolarHBondContact O-CD2 3.21Å; K113-Y117 PolarHBondContact O-N 3.42Å; K113-E271 WeakPolarHBondContact CD-OE1 3.46Å; K113-E271 WeakPolarHBondContact CE-OE1 3.1Å; K113-E271 IonicContact NZ-OE1 2.62Å; K113-E271 PolarHBondContact NZ-OE1 3.19Å; K113-E271 IonicContact NZ-OE2 3.59Å; K113-E271 PolarHBondContact NZ-OE2 3.17Å
114	L	87.4	Confident	86.2	Confident	12 Å²	12	23.3 Å²	23.3	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-66	-38.9	172.5	-67	171.7	0	0	0	112.5	L71 I73 T110 L111 V112 L116 C118 P119 I122 L142 L145	L71-L114 HydrophobicContact CD2-CD2 3.21Å; I73-L114 HydrophobicContact CD1-CD2 4.39Å; T110-L114 WeakPolarHBondContact O-CG 3.36Å; T110-L114 PolarHBondContact O-N 3.16Å; L111-L114 HydrophobicContact CD2-CD1 3.94Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.09Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 3.16Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L114-C118 WeakPolarHBondContact O-CA 3.42Å; L114-C118 PolarHBondContact O-N 3.16Å; L114-P119 HydrophobicContact CD2-CG 3.7Å; L114-P119 WeakPolarHBondContact O-CD 3.39Å; L114-I122 HydrophobicContact CD2-CD1 3.75Å; L114-L142 HydrophobicContact CD1-CD2 3.49Å; L114-L142 VanDerWaalsContact CD1-CD2 3.49Å; L114-L145 HydrophobicContact CD1-CD1 4.13Å
115	L	82.7	Confident	86.8	Confident	15 Å²	15	21.9 Å²	21.9	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-65.8	-34.9	172.8	-72.9	174.7	0	0	0	112.1	L111 V112 C118 F228 A231 R266 L270	L111-L115 PolarHBondContact O-N 3.14Å; L111-L115 VanDerWaalsContact O-N 3.07Å; V112-L115 WeakPolarHBondContact O-CB 3.38Å; V112-L115 PolarHBondContact O-N 3.39Å; L115-C118 PolarHBondContact O-SG 3.12Å; L115-F228 HydrophobicContact CD1-CB 4.39Å; L115-F228 HydrophobicContact CD1-CD2 3.36Å; L115-F228 HydrophobicContact CD1-CE2 3.85Å; L115-F228 HydrophobicContact CD1-CG 4.12Å; L115-F228 HydrophobicContact CD2-CD2 3.92Å; L115-F228 HydrophobicContact CD2-CE2 3.49Å; L115-F228 VanDerWaalsContact CD2-CE2 3.49Å; L115-F228 HydrophobicContact CD2-CZ 4.43Å; L115-F228 HydrophobicContact CG-CD2 3.47Å; L115-F228 VanDerWaalsContact CG-CD2 3.47Å; L115-F228 HydrophobicContact CG-CE2 3.58Å; L115-A231 HydrophobicContact CD1-CB 4.1Å; L115-R266 PolarHBondContact O-NH2 3.42Å; L115-L270 HydrophobicContact CB-CD1 4.02Å
116	L	82.7	Confident	87.2	Confident	30 Å²	30	23.6 Å²	23.6	16%	0.157	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-56.2	176.7	-179.1	65.9	0	0	0	111.1	V112 K113 L114 A267	V112-L116 PolarHBondContact O-N 3.26Å; K113-L116 HydrophobicContact CD-CD2 4.06Å; K113-L116 WeakPolarHBondContact O-CB 3.3Å; K113-L116 PolarHBondContact O-N 3.36Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L116-A267 VanDerWaalsContact CD1-CA 3.44Å; L116-A267 HydrophobicContact CD1-CB 3.48Å; L116-A267 VanDerWaalsContact CD1-CB 3.48Å
117	Y	84.5	Confident	87.6	Confident	25 Å²	25	23.3 Å²	23.3	10%	0.098	12%	0.116	C	C	.	.	H	α-helix	trans	-80.8	-25.1	-173.3	-59.3	-52	0	0	0	114.2	L71 T88 E97 K113	L71-Y117 HydrophobicContact CD1-CD2 4.37Å; T88-Y117 HydrophobicContact CG2-CD1 4.06Å; T88-Y117 HydrophobicContact CG2-CD2 3.56Å; T88-Y117 HydrophobicContact CG2-CE1 4.37Å; T88-Y117 HydrophobicContact CG2-CE2 3.88Å; T88-Y117 HydrophobicContact CG2-CG 3.67Å; E97-Y117 VanDerWaalsContact CD-CE1 3.48Å; E97-Y117 HydrophobicContact CG-CE1 4.36Å; E97-Y117 WeakPolarHBondContact OE1-CE1 3.4Å; E97-Y117 PolarHBondContact OE1-OH 2.95Å; E97-Y117 WeakPolarHBondContact OE2-CE1 3.4Å; K113-Y117 HydrophobicContact CB-CD2 4.19Å; K113-Y117 HydrophobicContact CB-CE2 3.92Å; K113-Y117 HydrophobicContact CD-CE2 3.97Å; K113-Y117 HydrophobicContact CG-CE2 4.38Å; K113-Y117 WeakPolarHBondContact O-CD2 3.21Å; K113-Y117 PolarHBondContact O-N 3.42Å
118	C	83	Confident	87.4	Confident	33 Å²	33	22.7 Å²	22.7	22%	0.223	11%	0.113	C	C	.	.			trans	47	57.8	-176	-67.2	0	0	0	0	113	L114 L115 R238 R266	L114-C118 WeakPolarHBondContact O-CA 3.42Å; L114-C118 PolarHBondContact O-N 3.16Å; L115-C118 PolarHBondContact O-SG 3.12Å; C118-R238 PolarHBondContact SG-NH2 3.42Å; C118-R266 PolarHBondContact SG-NH2 3.26Å
119	P	89.4	Confident	87.4	Confident	6 Å²	6	26.4 Å²	26.4	4%	0.039	13%	0.132	C	C	.	.			trans	-62.5	142.6	-173.7	29.1	-36.7	0	0	0	112.3	V69 L71 L114 I122	V69-P119 HydrophobicContact CG1-CB 4.49Å; L71-P119 HydrophobicContact CB-CB 3.71Å; L71-P119 HydrophobicContact CB-CG 4.33Å; L71-P119 HydrophobicContact CD2-CB 4.22Å; L71-P119 HydrophobicContact CD2-CG 3.91Å; L114-P119 HydrophobicContact CD2-CG 3.7Å; L114-P119 WeakPolarHBondContact O-CD 3.39Å; P119-I122 HydrophobicContact CB-CG1 4.05Å; P119-I122 HydrophobicContact CG-CD1 3.94Å; P119-I122 HydrophobicContact CG-CG1 3.82Å
120	T	88.2	Confident	87.5	Confident	47 Å²	47	26.7 Å²	26.7	29%	0.288	14%	0.14	S	C	.	.	S	Bend	trans	-85.4	-38.4	170.9	-49.6	0	0	0	0	110.7	V69 T150	V69-T120 PolarHBondContact O-N 3.38Å; T120-T150 PolarHBondContact O-N 3.28Å; T120-T150 VanDerWaalsContact O-N 3.07Å; T120-T150 PolarHBondContact O-OG1 3.4Å
121	E	92	Very high	86.9	Confident	22 Å²	22	30.6 Å²	30.6	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.5	176.2	-43.7	-170.2	-157.5	0	0	110.4	H68 V69 L70 L71 T150 N152 Y199 H204	H68-E121 IonicContact CE1-OE1 2.66Å; H68-E121 PolarHBondContact CE1-OE1 3.07Å; H68-E121 VanDerWaalsContact CE1-OE1 3.29Å; H68-E121 IonicContact NE2-OE1 3.6Å; H68-E121 PolarHBondContact NE2-OE1 3.02Å; V69-E121 PolarHBondContact O-N 3.31Å; L70-E121 HydrophobicContact CD2-CB 3.73Å; L70-E121 HydrophobicContact CD2-CG 3.76Å; L71-E121 PolarHBondContact N-O 3.42Å; E121-T150 CarbonylContact C-O 3.48Å; E121-T150 WeakPolarHBondContact CA-O 3.42Å; E121-T150 WeakPolarHBondContact CA-OG1 3.44Å; E121-T150 WeakPolarHBondContact CB-OG1 3.44Å; E121-T150 VanDerWaalsContact CG-OG1 3.29Å; E121-T150 WeakPolarHBondContact CG-OG1 3.12Å; E121-N152 PolarHBondContact OE2-ND2 3.03Å; E121-Y199 PolarHBondContact OE2-OH 2.9Å; E121-H204 IonicContact OE1-CE1 2.69Å; E121-H204 PolarHBondContact OE1-CE1 2.99Å; E121-H204 VanDerWaalsContact OE1-CE1 3.27Å; E121-H204 IonicContact OE1-NE2 2.71Å; E121-H204 PolarHBondContact OE1-NE2 3.03Å; E121-H204 IonicContact OE2-NE2 3.84Å
122	I	94.1	Very high	86.6	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	174.5	-59.9	-178.8	0	0	0	109.1	L71 I73 L114 P119 I124 L142 I149 T150 L151 N152	L71-I122 HydrophobicContact CD2-CD1 4.39Å; L71-I122 HydrophobicContact CD2-CG1 4.22Å; L71-I122 CarbonylContact O-C 3.57Å; L71-I122 VanDerWaalsContact O-CA 3.28Å; L71-I122 WeakPolarHBondContact O-CA 3.46Å; I73-I122 HydrophobicContact CD1-CG2 3.7Å; I73-I122 HydrophobicContact CG1-CG2 3.92Å; L114-I122 HydrophobicContact CD2-CD1 3.75Å; P119-I122 HydrophobicContact CB-CG1 4.05Å; P119-I122 HydrophobicContact CG-CD1 3.94Å; P119-I122 HydrophobicContact CG-CG1 3.82Å; I122-I124 HydrophobicContact CG2-CG2 4.14Å; I122-L142 HydrophobicContact CD1-CD2 4.12Å; I122-L142 HydrophobicContact CG2-CD1 4.44Å; I122-I149 HydrophobicContact CB-CG2 4.42Å; I122-I149 HydrophobicContact CD1-CG2 3.6Å; I122-I149 HydrophobicContact CG1-CG2 3.59Å; I122-T150 PolarHBondContact N-O 2.88Å; I122-L151 HydrophobicContact CB-CD1 3.82Å; I122-L151 HydrophobicContact CG2-CD1 3.7Å; I122-L151 CarbonylContact O-C 3.52Å; I122-L151 WeakPolarHBondContact O-CA 3.34Å; I122-N152 PolarHBondContact O-N 3.36Å
123	I	94.5	Very high	86.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.8	179.9	-60	154.9	0	0	0	108.9	L71 S72 I73 N152 V154 F159 L196 Y199	L71-I123 PolarHBondContact O-N 3.31Å; S72-I123 WeakPolarHBondContact CA-O 2.97Å; S72-I123 PolarHBondContact OG-O 3.01Å; I73-I123 PolarHBondContact N-O 3.4Å; I123-N152 WeakPolarHBondContact CA-O 3.32Å; I123-V154 HydrophobicContact CG2-CB 3.97Å; I123-V154 HydrophobicContact CG2-CG2 3.51Å; I123-F159 HydrophobicContact CG2-CZ 4.26Å; I123-L196 HydrophobicContact CD1-CD1 3.71Å; I123-Y199 HydrophobicContact CD1-CD1 3.35Å; I123-Y199 HydrophobicContact CD1-CD2 4.41Å; I123-Y199 HydrophobicContact CD1-CE1 4.03Å; I123-Y199 HydrophobicContact CD1-CG 3.58Å; I123-Y199 HydrophobicContact CG1-CD1 3.83Å; I123-Y199 HydrophobicContact CG1-CD2 4.28Å; I123-Y199 HydrophobicContact CG1-CE1 4.11Å; I123-Y199 HydrophobicContact CG1-CG 3.91Å
124	I	94.4	Very high	86.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.4	176.6	56.6	167	0	0	0	110.8	I73 I122 K126 L129 M135 V139 L151 N152 G153 V154	I73-I124 HydrophobicContact CB-CG2 4.31Å; I122-I124 HydrophobicContact CG2-CG2 4.14Å; I124-K126 PolarHBondContact O-N 3.46Å; I124-L129 HydrophobicContact CD1-CD2 3.62Å; I124-L129 HydrophobicContact CD1-CG 3.82Å; I124-M135 HydrophobicContact CG2-CE 4.3Å; I124-V139 HydrophobicContact CD1-CG2 3.75Å; I124-L151 HydrophobicContact CD1-CD1 3.84Å; I124-L151 HydrophobicContact CD1-CD2 3.73Å; I124-L151 HydrophobicContact CD1-CG 3.8Å; I124-L151 HydrophobicContact CG1-CD1 3.95Å; I124-L151 HydrophobicContact CG1-CG 4.13Å; I124-L151 HydrophobicContact CG2-CD1 3.98Å; I124-N152 PolarHBondContact N-O 3.16Å; I124-G153 CarbonylContact O-C 3.49Å; I124-G153 WeakPolarHBondContact O-CA 3.36Å; I124-V154 PolarHBondContact O-N 3.32Å
125	P	92.8	Very high	86.1	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.019	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	136.5	171.4	-20.6	30.9	0	0	0	110.6	I73 V74 S127 G128 M135 V154 F159	I73-P125 WeakPolarHBondContact O-CD 3.49Å; V74-P125 HydrophobicContact CG2-CG 4.17Å; P125-S127 PolarHBondContact O-N 3.43Å; P125-G128 VanDerWaalsContact O-CA 3.25Å; P125-G128 WeakPolarHBondContact O-CA 3.39Å; P125-G128 PolarHBondContact O-N 3.41Å; P125-M135 HydrophobicContact CG-SD 4.13Å; P125-V154 CarbonylContact C-O 3.53Å; P125-V154 WeakPolarHBondContact CA-O 3.18Å; P125-F159 HydrophobicContact CB-CD2 4.24Å; P125-F159 HydrophobicContact CB-CE2 3.97Å; P125-F159 HydrophobicContact CB-CZ 4.32Å; P125-F159 VanDerWaalsContact CD-CZ 3.46Å; P125-F159 HydrophobicContact CG-CD1 4.11Å; P125-F159 HydrophobicContact CG-CD2 4.02Å; P125-F159 HydrophobicContact CG-CE1 3.84Å; P125-F159 HydrophobicContact CG-CE2 3.76Å; P125-F159 HydrophobicContact CG-CG 4.19Å; P125-F159 HydrophobicContact CG-CZ 3.66Å
126	K	88.7	Confident	86.1	Confident	122 Å²	122	45.8 Å²	45.8	53%	0.53	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.5	-40.2	174.7	-77.6	-178	-177.2	-175.9	0	111.8	I124 G128 L129 G153 V154	I124-K126 PolarHBondContact O-N 3.46Å; K126-G128 PolarHBondContact O-N 3.46Å; K126-G128 VanDerWaalsContact O-N 3.08Å; K126-L129 WeakPolarHBondContact O-CB 3.5Å; K126-L129 PolarHBondContact O-N 2.99Å; K126-G153 WeakPolarHBondContact CE-O 3.42Å; K126-G153 VanDerWaalsContact CG-O 3.3Å; K126-G153 WeakPolarHBondContact CG-O 3.48Å; K126-V154 PolarHBondContact N-O 3.32Å
127	S	85.6	Confident	86.2	Confident	30 Å²	30	49.6 Å²	49.6	21%	0.21	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-61.8	-17.1	174.2	64.6	0	0	0	0	113.7	R77 P125 L129 D130 S133	R77-S127 PolarHBondContact NH2-OG 2.94Å; P125-S127 PolarHBondContact O-N 3.43Å; S127-L129 VanDerWaalsContact C-N 3.33Å; S127-D130 WeakPolarHBondContact CA-OD2 3.36Å; S127-S133 VanDerWaalsContact O-CB 3.25Å; S127-S133 WeakPolarHBondContact O-CB 3.16Å; S127-S133 PolarHBondContact O-OG 3.16Å
128	G	82.4	Confident	86.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-69.1	-30.2	174.8	0	0	0	0	0	113.1	P125 K126 D130 S133	P125-G128 VanDerWaalsContact O-CA 3.25Å; P125-G128 WeakPolarHBondContact O-CA 3.39Å; P125-G128 PolarHBondContact O-N 3.41Å; K126-G128 PolarHBondContact O-N 3.46Å; K126-G128 VanDerWaalsContact O-N 3.08Å; G128-D130 VanDerWaalsContact C-N 3.31Å; G128-S133 WeakPolarHBondContact CA-OG 3.44Å; G128-S133 WeakPolarHBondContact O-CB 3.38Å; G128-S133 PolarHBondContact O-OG 2.76Å
129	L	83.6	Confident	86.5	Confident	85 Å²	85	47.3 Å²	47.3	45%	0.445	24%	0.244	S	C	.	.	S	Bend	trans	-78.4	-16.5	179.4	-66.5	165.2	0	0	0	112.6	I124 K126 S127 V139 L151	I124-L129 HydrophobicContact CD1-CD2 3.62Å; I124-L129 HydrophobicContact CD1-CG 3.82Å; K126-L129 WeakPolarHBondContact O-CB 3.5Å; K126-L129 PolarHBondContact O-N 2.99Å; S127-L129 VanDerWaalsContact C-N 3.33Å; L129-V139 HydrophobicContact CD2-CG1 4.09Å; L129-L151 HydrophobicContact CD2-CD2 4.13Å
130	D	84.4	Confident	86.3	Confident	90 Å²	90	53.2 Å²	53.2	48%	0.481	27%	0.269	S	S	.	.	S	Bend	trans	-67	140.4	179.5	-63.7	-33.2	0	0	0	110.7	S127 G128 N132 S133	S127-D130 WeakPolarHBondContact CA-OD2 3.36Å; G128-D130 VanDerWaalsContact C-N 3.31Å; D130-N132 PolarHBondContact O-N 3.35Å; D130-S133 WeakPolarHBondContact O-CB 3.16Å; D130-S133 PolarHBondContact O-N 3.44Å
131	P	76.8	Confident	86.1	Confident	84 Å²	84	52.7 Å²	52.7	55%	0.545	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.8	-175.5	23.3	-33.1	0	0	0	114.4	R136	P131-R136 VanDerWaalsContact O-CD 3.25Å; P131-R136 WeakPolarHBondContact O-CD 3.49Å; P131-R136 PolarHBondContact O-NH1 3.45Å
132	N	80.1	Confident	85.8	Confident	157 Å²	157	52.3 Å²	52.3	84%	0.84	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	11.2	177.8	-64.6	-13.7	0	0	0	113	D130	D130-N132 PolarHBondContact O-N 3.35Å
133	S	82.8	Confident	85.3	Confident	18 Å²	18	55.9 Å²	55.9	13%	0.126	28%	0.281	C	S	.	.			trans	-74	147.7	-179.6	179.7	0	0	0	0	112.9	S127 G128 D130 M135 R136	S127-S133 VanDerWaalsContact O-CB 3.25Å; S127-S133 WeakPolarHBondContact O-CB 3.16Å; S127-S133 PolarHBondContact O-OG 3.16Å; G128-S133 WeakPolarHBondContact CA-OG 3.44Å; G128-S133 WeakPolarHBondContact O-CB 3.38Å; G128-S133 PolarHBondContact O-OG 2.76Å; D130-S133 WeakPolarHBondContact O-CB 3.16Å; D130-S133 PolarHBondContact O-N 3.44Å; S133-M135 PolarHBondContact O-N 2.95Å; S133-M135 PolarHBondContact OG-N 3.07Å; S133-M135 VanDerWaalsContact OG-N 3.07Å; S133-R136 VanDerWaalsContact O-CB 3.27Å; S133-R136 WeakPolarHBondContact O-CB 3.33Å; S133-R136 PolarHBondContact O-N 2.9Å
134	C	80	Confident	84.5	Confident	51 Å²	51	59 Å²	59	35%	0.345	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.7	167.4	58.8	0	0	0	0	112.1	R136	C134-R136 PolarHBondContact O-N 3.38Å
135	M	85.1	Confident	83.6	Confident	2 Å²	2	61 Å²	61	1%	0.01	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-0.1	179.7	-67.1	-179.5	74.2	0	0	113.8	E75 I124 P125 S133 K137 L138 V139	E75-M135 HydrophobicContact CB-CE 4.44Å; E75-M135 HydrophobicContact CB-CG 3.64Å; E75-M135 HydrophobicContact CB-SD 4.22Å; E75-M135 WeakPolarHBondContact OE2-CA 3.34Å; E75-M135 WeakPolarHBondContact OE2-CG 3.43Å; I124-M135 HydrophobicContact CG2-CE 4.3Å; P125-M135 HydrophobicContact CG-SD 4.13Å; S133-M135 PolarHBondContact O-N 2.95Å; S133-M135 PolarHBondContact OG-N 3.07Å; S133-M135 VanDerWaalsContact OG-N 3.07Å; M135-K137 VanDerWaalsContact C-N 3.25Å; M135-K137 PolarHBondContact O-N 2.79Å; M135-L138 HydrophobicContact CE-CD2 4.02Å; M135-L138 PolarHBondContact O-N 2.71Å; M135-L138 VanDerWaalsContact O-N 3.1Å; M135-V139 HydrophobicContact CB-CG2 4.35Å; M135-V139 WeakPolarHBondContact O-CG2 3.05Å; M135-V139 PolarHBondContact O-N 2.7Å
136	R	83.6	Confident	82.1	Confident	153 Å²	153	68.2 Å²	68.2	58%	0.577	34%	0.34	S	S	*	.	H	α-helix	trans	-53.7	-42.9	-174.4	-175.8	-163.6	-176.6	155.3	-12.6	112.2	P131 S133 C134 V139 K140	P131-R136 VanDerWaalsContact O-CD 3.25Å; P131-R136 WeakPolarHBondContact O-CD 3.49Å; P131-R136 PolarHBondContact O-NH1 3.45Å; S133-R136 VanDerWaalsContact O-CB 3.27Å; S133-R136 WeakPolarHBondContact O-CB 3.33Å; S133-R136 PolarHBondContact O-N 2.9Å; C134-R136 PolarHBondContact O-N 3.38Å; R136-V139 PolarHBondContact O-N 3.05Å; R136-K140 PolarHBondContact O-N 2.68Å
137	K	84.5	Confident	80.9	Confident	110 Å²	110	68.1 Å²	68.1	48%	0.478	35%	0.345	S	S	.	.	H	α-helix	trans	-63.5	-47.3	-180	-170.4	180	-176.7	-176.2	0	111	S105 Y107 M135 K140 I141	S105-K137 WeakPolarHBondContact O-CE 3.34Å; S105-K137 PolarHBondContact O-NZ 2.92Å; Y107-K137 HydrophobicContact CE2-CB 4.06Å; Y107-K137 HydrophobicContact CE2-CD 4.06Å; Y107-K137 HydrophobicContact CE2-CG 3.97Å; M135-K137 VanDerWaalsContact C-N 3.25Å; M135-K137 PolarHBondContact O-N 2.79Å; K137-K140 PolarHBondContact O-N 2.99Å; K137-I141 HydrophobicContact CG-CD1 4.32Å; K137-I141 WeakPolarHBondContact O-CG1 3.1Å; K137-I141 PolarHBondContact O-N 2.88Å
138	L	87.1	Confident	80	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-47.5	176.4	177.4	57.8	0	0	0	111.5	I73 I84 Y107 T110 M135 K140 I141 L142	I73-L138 HydrophobicContact CG2-CD2 3.96Å; I84-L138 HydrophobicContact CD1-CD2 4.22Å; Y107-L138 HydrophobicContact CD1-CB 4.36Å; Y107-L138 HydrophobicContact CD1-CD1 3.91Å; Y107-L138 HydrophobicContact CD1-CD2 4.43Å; Y107-L138 HydrophobicContact CD1-CG 4.46Å; Y107-L138 HydrophobicContact CD2-CB 4.3Å; Y107-L138 HydrophobicContact CD2-CD1 4.24Å; Y107-L138 HydrophobicContact CE1-CB 3.95Å; Y107-L138 HydrophobicContact CE1-CD1 4.35Å; Y107-L138 HydrophobicContact CE1-CD2 4.27Å; Y107-L138 HydrophobicContact CE1-CG 4.42Å; Y107-L138 HydrophobicContact CE2-CB 3.89Å; Y107-L138 HydrophobicContact CG-CD1 3.84Å; T110-L138 HydrophobicContact CG2-CD1 4.39Å; M135-L138 HydrophobicContact CE-CD2 4.02Å; M135-L138 PolarHBondContact O-N 2.71Å; M135-L138 VanDerWaalsContact O-N 3.1Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.32Å; L138-I141 WeakPolarHBondContact O-CB 3.4Å; L138-I141 PolarHBondContact O-N 3.43Å; L138-I141 VanDerWaalsContact O-N 3.11Å; L138-L142 HydrophobicContact CD1-CD1 4.24Å; L138-L142 HydrophobicContact CD1-CD2 4.44Å; L138-L142 HydrophobicContact CD1-CG 4.08Å; L138-L142 HydrophobicContact CG-CD1 4.03Å; L138-L142 HydrophobicContact CG-CG 4.31Å; L138-L142 WeakPolarHBondContact O-CG 3.26Å; L138-L142 PolarHBondContact O-N 3.03Å
139	V	87	Confident	80	Confident	10 Å²	10	71.8 Å²	71.8	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-59.8	-40.6	178.8	172	0	0	0	0	111.4	I124 L129 M135 R136 I141 L142 L143 L151	I124-V139 HydrophobicContact CD1-CG2 3.75Å; L129-V139 HydrophobicContact CD2-CG1 4.09Å; M135-V139 HydrophobicContact CB-CG2 4.35Å; M135-V139 WeakPolarHBondContact O-CG2 3.05Å; M135-V139 PolarHBondContact O-N 2.7Å; R136-V139 PolarHBondContact O-N 3.05Å; V139-I141 VanDerWaalsContact C-N 3.33Å; V139-I141 PolarHBondContact O-N 3.31Å; V139-L142 PolarHBondContact O-N 3.02Å; V139-L143 HydrophobicContact CG1-CD1 3.85Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.48Å; V139-L143 PolarHBondContact O-N 3.36Å; V139-L151 HydrophobicContact CG1-CD2 4.17Å
140	K	84.7	Confident	80.2	Confident	130 Å²	130	70.7 Å²	70.7	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-60.4	-42.8	175.5	-169.3	-177.7	178.5	-171	0	111.7	R136 K137 L138 L143 S144	R136-K140 PolarHBondContact O-N 2.68Å; K137-K140 PolarHBondContact O-N 2.99Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.32Å; K140-L143 PolarHBondContact O-N 3.13Å; K140-S144 PolarHBondContact O-N 3.09Å; K140-S144 VanDerWaalsContact O-N 3.11Å
141	I	83.9	Confident	80.4	Confident	36 Å²	36	68 Å²	68	19%	0.185	36%	0.36	C	S	.	.	H	α-helix	trans	-67	-42.7	177	-65.4	164.4	0	0	0	110.9	Y107 L111 K137 L138 V139 L143 S144 L145	Y107-I141 HydrophobicContact CD2-CD1 3.65Å; Y107-I141 HydrophobicContact CE2-CD1 4.27Å; L111-I141 HydrophobicContact CD1-CG2 4.19Å; L111-I141 HydrophobicContact CD2-CG2 3.78Å; L111-I141 HydrophobicContact CG-CG2 4.46Å; K137-I141 HydrophobicContact CG-CD1 4.32Å; K137-I141 WeakPolarHBondContact O-CG1 3.1Å; K137-I141 PolarHBondContact O-N 2.88Å; L138-I141 WeakPolarHBondContact O-CB 3.4Å; L138-I141 PolarHBondContact O-N 3.43Å; L138-I141 VanDerWaalsContact O-N 3.11Å; V139-I141 VanDerWaalsContact C-N 3.33Å; V139-I141 PolarHBondContact O-N 3.31Å; I141-L143 VanDerWaalsContact C-N 3.27Å; I141-L143 PolarHBondContact O-N 3.12Å; I141-S144 PolarHBondContact O-N 3.34Å; I141-S144 VanDerWaalsContact O-N 3.17Å; I141-S144 PolarHBondContact O-OG 2.93Å; I141-L145 HydrophobicContact CG2-CD1 4.42Å; I141-L145 WeakPolarHBondContact O-CG 3.47Å; I141-L145 PolarHBondContact O-N 3.48Å
142	L	85.8	Confident	81.1	Confident	13 Å²	13	66 Å²	66	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-37.4	176.1	-67.7	176.2	0	0	0	111.8	I73 L114 I122 L138 V139 S144 L145 L151	I73-L142 HydrophobicContact CD1-CD1 4.25Å; I73-L142 HydrophobicContact CD1-CD2 4.42Å; L114-L142 HydrophobicContact CD1-CD2 3.49Å; L114-L142 VanDerWaalsContact CD1-CD2 3.49Å; I122-L142 HydrophobicContact CD1-CD2 4.12Å; I122-L142 HydrophobicContact CG2-CD1 4.44Å; L138-L142 HydrophobicContact CD1-CD1 4.24Å; L138-L142 HydrophobicContact CD1-CD2 4.44Å; L138-L142 HydrophobicContact CD1-CG 4.08Å; L138-L142 HydrophobicContact CG-CD1 4.03Å; L138-L142 HydrophobicContact CG-CG 4.31Å; L138-L142 WeakPolarHBondContact O-CG 3.26Å; L138-L142 PolarHBondContact O-N 3.03Å; V139-L142 PolarHBondContact O-N 3.02Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-L145 PolarHBondContact O-N 2.67Å; L142-L151 HydrophobicContact CD1-CD1 4.27Å
143	L	83.1	Confident	81.6	Confident	80 Å²	80	59.7 Å²	59.7	42%	0.419	32%	0.316	S	S	.	.	H	α-helix	trans	-72.5	-22.6	176.5	-71.8	172.3	0	0	0	113.4	V139 K140 I141 R146 L151	V139-L143 HydrophobicContact CG1-CD1 3.85Å; V139-L143 HydrophobicContact CG1-CG 4.28Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.48Å; V139-L143 PolarHBondContact O-N 3.36Å; K140-L143 PolarHBondContact O-N 3.13Å; I141-L143 VanDerWaalsContact C-N 3.27Å; I141-L143 PolarHBondContact O-N 3.12Å; L143-R146 WeakPolarHBondContact O-CB 3.39Å; L143-L151 HydrophobicContact CD2-CD2 3.93Å; L143-L151 HydrophobicContact CG-CD2 4.21Å
144	S	78	Confident	82	Confident	66 Å²	66	59.4 Å²	59.4	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-80.1	-22.3	175.5	66.7	0	0	0	0	112.9	K140 I141 L142 R146	K140-S144 PolarHBondContact O-N 3.09Å; K140-S144 VanDerWaalsContact O-N 3.11Å; I141-S144 PolarHBondContact O-N 3.34Å; I141-S144 VanDerWaalsContact O-N 3.17Å; I141-S144 PolarHBondContact O-OG 2.93Å; L142-S144 VanDerWaalsContact C-N 3.33Å; S144-R146 PolarHBondContact O-N 2.84Å; S144-R146 VanDerWaalsContact O-N 3.15Å
145	L	75	Confident	82.5	Confident	41 Å²	41	60.5 Å²	60.5	22%	0.215	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	12.5	180	-67.5	160.7	0	0	0	114.5	L111 L114 I141 L142 N147 F228	L111-L145 HydrophobicContact CD2-CD1 3.53Å; L114-L145 HydrophobicContact CD1-CD1 4.13Å; I141-L145 HydrophobicContact CG2-CD1 4.42Å; I141-L145 WeakPolarHBondContact O-CG 3.47Å; I141-L145 PolarHBondContact O-N 3.48Å; L142-L145 PolarHBondContact O-N 2.67Å; L145-N147 VanDerWaalsContact C-N 3.27Å; L145-N147 PolarHBondContact O-N 3.04Å; L145-F228 HydrophobicContact CD2-CE1 3.83Å; L145-F228 HydrophobicContact CD2-CE2 3.87Å; L145-F228 HydrophobicContact CD2-CZ 3.36Å
146	R	62.4	Low	82.7	Confident	155 Å²	155	66.1 Å²	66.1	59%	0.585	34%	0.337	S	S	*	.			trans	-76.1	41.6	-152.4	-140.2	-175.9	-165.6	-120.1	4.3	117.7	L143 S144 G148	L143-R146 WeakPolarHBondContact O-CB 3.39Å; S144-R146 PolarHBondContact O-N 2.84Å; S144-R146 VanDerWaalsContact O-N 3.15Å; R146-G148 PolarHBondContact O-N 3.35Å
147	N	62.7	Low	83	Confident	119 Å²	119	65.1 Å²	65.1	64%	0.636	34%	0.343	S	S	*	.	S	Bend	trans	-84.3	57.5	172.4	-64.1	-7.8	0	0	0	111.4	L145 Y243	L145-N147 VanDerWaalsContact C-N 3.27Å; L145-N147 PolarHBondContact O-N 3.04Å; N147-Y243 WeakPolarHBondContact ND2-CE1 3.2Å; N147-Y243 PolarHBondContact ND2-OH 2.92Å
148	G	67.4	Low	83.3	Confident	64 Å²	64	62.2 Å²	62.2	66%	0.66	33%	0.331	S	S	*	.	S	Bend	trans	114.8	0.1	170.3	0	0	0	0	0	117.5	R146	R146-G148 PolarHBondContact O-N 3.35Å
149	I	81.9	Confident	83.7	Confident	44 Å²	44	63.3 Å²	63.3	23%	0.226	34%	0.336	C	S	.	.			trans	-89	128.7	-178.8	-54	175.6	0	0	0	110.6	I122	I122-I149 HydrophobicContact CB-CG2 4.42Å; I122-I149 HydrophobicContact CD1-CG2 3.6Å; I122-I149 HydrophobicContact CG1-CG2 3.59Å
150	T	87.6	Confident	84.1	Confident	61 Å²	61	65.8 Å²	65.8	37%	0.374	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.8	172.4	62	0	0	0	0	110.7	T120 E121 I122	T120-T150 PolarHBondContact O-N 3.28Å; T120-T150 VanDerWaalsContact O-N 3.07Å; T120-T150 PolarHBondContact O-OG1 3.4Å; E121-T150 CarbonylContact C-O 3.48Å; E121-T150 WeakPolarHBondContact CA-O 3.42Å; E121-T150 WeakPolarHBondContact CA-OG1 3.44Å; E121-T150 WeakPolarHBondContact CB-OG1 3.44Å; E121-T150 VanDerWaalsContact CG-OG1 3.29Å; E121-T150 WeakPolarHBondContact CG-OG1 3.12Å; I122-T150 PolarHBondContact N-O 2.88Å
151	L	88.8	Confident	84.5	Confident	34 Å²	34	62 Å²	62	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.9	179.7	-173.2	71.8	0	0	0	109.1	I122 I124 L129 V139 L142 L143	I122-L151 HydrophobicContact CB-CD1 3.82Å; I122-L151 HydrophobicContact CG2-CD1 3.7Å; I122-L151 CarbonylContact O-C 3.52Å; I122-L151 WeakPolarHBondContact O-CA 3.34Å; I124-L151 HydrophobicContact CD1-CD1 3.84Å; I124-L151 HydrophobicContact CD1-CD2 3.73Å; I124-L151 HydrophobicContact CD1-CG 3.8Å; I124-L151 HydrophobicContact CG1-CD1 3.95Å; I124-L151 HydrophobicContact CG1-CG 4.13Å; I124-L151 HydrophobicContact CG2-CD1 3.98Å; L129-L151 HydrophobicContact CD2-CD2 4.13Å; V139-L151 HydrophobicContact CG1-CD2 4.17Å; L142-L151 HydrophobicContact CD1-CD1 4.27Å; L143-L151 HydrophobicContact CD2-CD2 3.93Å; L143-L151 HydrophobicContact CG-CD2 4.21Å
152	N	91	Very high	85	Confident	43 Å²	43	67.9 Å²	67.9	23%	0.23	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.4	-171.6	-63	-32.8	0	0	0	110.7	E121 I122 I123 I124 Y199	E121-N152 PolarHBondContact OE2-ND2 3.03Å; I122-N152 PolarHBondContact O-N 3.36Å; I123-N152 WeakPolarHBondContact CA-O 3.32Å; I124-N152 PolarHBondContact N-O 3.16Å; N152-Y199 HydrophobicContact CB-CE2 4.05Å; N152-Y199 PolarHBondContact ND2-OH 3.42Å
153	G	90.6	Very high	85.4	Confident	24 Å²	24	70.6 Å²	70.6	25%	0.247	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	121.1	176	0	0	0	0	0	111.4	I124 K126	I124-G153 CarbonylContact O-C 3.49Å; I124-G153 WeakPolarHBondContact O-CA 3.36Å; K126-G153 WeakPolarHBondContact CE-O 3.42Å; K126-G153 VanDerWaalsContact CG-O 3.3Å; K126-G153 WeakPolarHBondContact CG-O 3.48Å
154	V	91.7	Very high	85.9	Confident	11 Å²	11	66.8 Å²	66.8	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.4	175.1	175.3	0	0	0	0	111.1	I123 I124 P125 K126 R156 H158 F159 Y199	I123-V154 HydrophobicContact CG2-CB 3.97Å; I123-V154 HydrophobicContact CG2-CG2 3.51Å; I124-V154 PolarHBondContact O-N 3.32Å; P125-V154 CarbonylContact C-O 3.53Å; P125-V154 WeakPolarHBondContact CA-O 3.18Å; K126-V154 PolarHBondContact N-O 3.32Å; V154-R156 PolarHBondContact O-N 3.35Å; V154-H158 HydrophobicContact CG1-CB 3.85Å; V154-H158 VanDerWaalsContact CG1-ND1 3.27Å; V154-H158 WeakPolarHBondContact CG1-ND1 3.35Å; V154-F159 HydrophobicContact CB-CE2 4.17Å; V154-F159 HydrophobicContact CG1-CE2 4.42Å; V154-Y199 HydrophobicContact CG2-CD2 3.49Å; V154-Y199 VanDerWaalsContact CG2-CD2 3.49Å; V154-Y199 HydrophobicContact CG2-CE2 4.16Å; V154-Y199 HydrophobicContact CG2-CG 4.31Å
155	N	91.5	Very high	86.6	Confident	75 Å²	75	65 Å²	65	40%	0.401	34%	0.337	S	S	.	.			trans	-55	135.8	179.3	-170.9	-42.3	0	0	0	110.4	N157 H158	N155-N157 PolarHBondContact O-N 3.04Å; N155-N157 VanDerWaalsContact O-N 3.1Å; N155-N157 PolarHBondContact OD1-N 3.01Å; N155-H158 WeakPolarHBondContact O-CB 3.3Å; N155-H158 PolarHBondContact O-N 3.48Å
156	R	87.6	Confident	87.5	Confident	120 Å²	120	67.7 Å²	67.7	45%	0.453	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-57	-26.9	-178.9	-170.3	170.6	-175.8	-164.3	0.9	113.5	R77 V154 H158 F159	R77-R156 VanDerWaalsContact NH1-CZ 3.32Å; R77-R156 VanDerWaalsContact NH2-CZ 3.26Å; V154-R156 PolarHBondContact O-N 3.35Å; R156-H158 PolarHBondContact O-N 2.95Å; R156-H158 VanDerWaalsContact O-N 3.17Å; R156-F159 WeakPolarHBondContact O-CB 3.41Å; R156-F159 PolarHBondContact O-N 2.84Å
157	N	90.2	Very high	88.9	Confident	131 Å²	131	61 Å²	61	70%	0.701	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-60	-24.9	177.1	-65.9	-7.3	0	0	0	113.2	N155 F159	N155-N157 PolarHBondContact O-N 3.04Å; N155-N157 VanDerWaalsContact O-N 3.1Å; N155-N157 PolarHBondContact OD1-N 3.01Å; N157-F159 VanDerWaalsContact C-N 3.32Å
158	H	92.5	Very high	90.3	Very high	49 Å²	49	55.5 Å²	55.5	23%	0.227	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-76.6	-18.1	175.4	-62.5	129.5	0	0	0	113.4	V154 N155 R156 N160 S194 A195 E202	V154-H158 HydrophobicContact CG1-CB 3.85Å; V154-H158 VanDerWaalsContact CG1-ND1 3.27Å; V154-H158 WeakPolarHBondContact CG1-ND1 3.35Å; N155-H158 WeakPolarHBondContact O-CB 3.3Å; N155-H158 PolarHBondContact O-N 3.48Å; R156-H158 PolarHBondContact O-N 2.95Å; R156-H158 VanDerWaalsContact O-N 3.17Å; H158-N160 PolarHBondContact O-N 3.3Å; H158-N160 VanDerWaalsContact O-N 3.13Å; H158-S194 CarbonylContact O-C 3.59Å; H158-S194 WeakPolarHBondContact O-CB 3.34Å; H158-S194 PolarHBondContact O-OG 3.29Å; H158-A195 HydrophobicContact CB-CB 4.4Å; H158-A195 PolarHBondContact O-N 2.86Å; H158-E202 IonicContact NE2-OE1 2.7Å
159	F	94.5	Very high	91.4	Very high	23 Å²	23	58.2 Å²	58.2	10%	0.101	28%	0.284	C	S	.	.			trans	-85.4	80.4	175.6	-68.5	-98.5	0	0	0	109.4	S72 V74 I123 P125 V154 R156 N157 S191 A195	S72-F159 WeakPolarHBondContact OG-CE1 3.36Å; V74-F159 HydrophobicContact CB-CD1 3.92Å; V74-F159 HydrophobicContact CB-CE1 4.09Å; V74-F159 HydrophobicContact CG2-CD1 4.01Å; V74-F159 HydrophobicContact CG2-CE1 4.48Å; I123-F159 HydrophobicContact CG2-CZ 4.26Å; P125-F159 HydrophobicContact CB-CD2 4.24Å; P125-F159 HydrophobicContact CB-CE2 3.97Å; P125-F159 HydrophobicContact CB-CZ 4.32Å; P125-F159 VanDerWaalsContact CD-CZ 3.46Å; P125-F159 HydrophobicContact CG-CD1 4.11Å; P125-F159 HydrophobicContact CG-CD2 4.02Å; P125-F159 HydrophobicContact CG-CE1 3.84Å; P125-F159 HydrophobicContact CG-CE2 3.76Å; P125-F159 HydrophobicContact CG-CG 4.19Å; P125-F159 HydrophobicContact CG-CZ 3.66Å; V154-F159 HydrophobicContact CB-CE2 4.17Å; V154-F159 HydrophobicContact CG1-CE2 4.42Å; R156-F159 WeakPolarHBondContact O-CB 3.41Å; R156-F159 PolarHBondContact O-N 2.84Å; N157-F159 VanDerWaalsContact C-N 3.32Å; F159-S191 WeakPolarHBondContact CA-O 3.39Å; F159-A195 HydrophobicContact CD1-CB 3.65Å; F159-A195 HydrophobicContact CD2-CB 3.75Å; F159-A195 HydrophobicContact CE1-CB 3.49Å; F159-A195 VanDerWaalsContact CE1-CB 3.49Å; F159-A195 HydrophobicContact CE2-CB 3.58Å; F159-A195 HydrophobicContact CG-CB 3.79Å; F159-A195 HydrophobicContact CZ-CB 3.45Å; F159-A195 VanDerWaalsContact CZ-CB 3.45Å
160	N	94.4	Very high	91.8	Very high	63 Å²	63	59.9 Å²	59.9	34%	0.337	29%	0.287	S	S	.	.			trans	-130.2	118.1	-175	-177.8	-35.7	0	0	0	110	H158 K162 Q163 G164 S194	H158-N160 PolarHBondContact O-N 3.3Å; H158-N160 VanDerWaalsContact O-N 3.13Å; N160-K162 WeakPolarHBondContact OD1-CB 3.32Å; N160-K162 PolarHBondContact OD1-N 3.02Å; N160-Q163 HydrophobicContact CB-CB 3.92Å; N160-Q163 PolarHBondContact O-N 3.28Å; N160-Q163 PolarHBondContact OD1-N 3.32Å; N160-Q163 VanDerWaalsContact OD1-N 3.08Å; N160-G164 PolarHBondContact O-N 3.41Å; N160-S194 WeakPolarHBondContact O-CB 3.38Å
161	D	94.2	Very high	92	Very high	49 Å²	49	57 Å²	57	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-42.5	-178.1	63	-54.4	0	0	0	112.6	Q163 G164 L165 F187 L190 S191	D161-Q163 VanDerWaalsContact C-N 3.35Å; D161-Q163 PolarHBondContact O-N 3.29Å; D161-G164 PolarHBondContact O-N 2.91Å; D161-L165 PolarHBondContact O-N 3.31Å; D161-F187 HydrophobicContact CB-CB 4.29Å; D161-F187 HydrophobicContact CB-CD1 4.36Å; D161-L190 HydrophobicContact CB-CB 4.2Å; D161-S191 PolarHBondContact N-OG 3.2Å
162	K	94.4	Very high	92.1	Very high	161 Å²	161	55.6 Å²	55.6	70%	0.7	26%	0.263	S	S	*	.	H	α-helix	trans	-64.4	-42	178.6	-64.1	179.5	-179	177.2	0	111.2	N160 H166	N160-K162 WeakPolarHBondContact OD1-CB 3.32Å; N160-K162 PolarHBondContact OD1-N 3.02Å; K162-H166 PolarHBondContact O-N 3.06Å
163	Q	94.1	Very high	92	Very high	70 Å²	70	54.3 Å²	54.3	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-67.5	-40.4	175.8	-174	63.7	19.3	0	0	111.1	N160 D161 L165 H166 Y167	N160-Q163 HydrophobicContact CB-CB 3.92Å; N160-Q163 PolarHBondContact O-N 3.28Å; N160-Q163 PolarHBondContact OD1-N 3.32Å; N160-Q163 VanDerWaalsContact OD1-N 3.08Å; D161-Q163 VanDerWaalsContact C-N 3.35Å; D161-Q163 PolarHBondContact O-N 3.29Å; Q163-L165 PolarHBondContact O-N 3.41Å; Q163-H166 WeakPolarHBondContact O-CB 3.44Å; Q163-H166 PolarHBondContact O-N 3.16Å; Q163-Y167 HydrophobicContact CG-CD2 3.87Å; Q163-Y167 HydrophobicContact CG-CE2 3.47Å; Q163-Y167 VanDerWaalsContact CG-CE2 3.47Å; Q163-Y167 VanDerWaalsContact NE2-CE2 3.32Å; Q163-Y167 VanDerWaalsContact NE2-CZ 3.34Å; Q163-Y167 PolarHBondContact NE2-OH 3Å; Q163-Y167 VanDerWaalsContact O-CD2 3.25Å; Q163-Y167 WeakPolarHBondContact O-CD2 3.27Å; Q163-Y167 PolarHBondContact O-N 3.19Å
164	G	93.9	Very high	91.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-45.4	174.8	0	0	0	0	0	112.5	N160 D161 H166 Y167 L168 L190	N160-G164 PolarHBondContact O-N 3.41Å; D161-G164 PolarHBondContact O-N 2.91Å; G164-H166 VanDerWaalsContact C-N 3.33Å; G164-H166 PolarHBondContact O-N 3.04Å; G164-Y167 PolarHBondContact O-N 2.91Å; G164-L168 WeakPolarHBondContact O-CB 3.32Å; G164-L168 PolarHBondContact O-N 2.99Å; G164-L190 WeakPolarHBondContact CA-O 3.38Å
165	L	92.9	Very high	91.7	Very high	28 Å²	28	60 Å²	60	15%	0.147	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-38.9	174.9	-175.9	61.5	0	0	0	112.1	D161 Q163 L168 R169 I180 L190	D161-L165 PolarHBondContact O-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.41Å; L165-L168 PolarHBondContact O-N 3.07Å; L165-R169 WeakPolarHBondContact O-CG 3.45Å; L165-R169 PolarHBondContact O-N 2.97Å; L165-I180 HydrophobicContact CD1-CG2 3.69Å; L165-L190 HydrophobicContact CB-CD1 4.32Å; L165-L190 HydrophobicContact CB-CD2 4.43Å; L165-L190 HydrophobicContact CD1-CD2 4.48Å
166	H	93.4	Very high	91.6	Very high	98 Å²	98	57.5 Å²	57.5	45%	0.454	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-46.4	174.6	174.9	-95	0	0	0	111.7	K162 Q163 G164 L168 R169 R170	K162-H166 PolarHBondContact O-N 3.06Å; Q163-H166 WeakPolarHBondContact O-CB 3.44Å; Q163-H166 PolarHBondContact O-N 3.16Å; G164-H166 VanDerWaalsContact C-N 3.33Å; G164-H166 PolarHBondContact O-N 3.04Å; H166-L168 VanDerWaalsContact C-N 3.33Å; H166-L168 PolarHBondContact O-N 3.15Å; H166-R169 PolarHBondContact O-N 3.11Å; H166-R170 WeakPolarHBondContact O-CB 3.19Å; H166-R170 PolarHBondContact O-N 3.39Å
167	Y	92.4	Very high	91.7	Very high	15 Å²	15	55.2 Å²	55.2	6%	0.059	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-45.4	174.6	-79.7	-58.6	0	0	0	112	Q163 G164 R169 R170 L171 L197 N198	Q163-Y167 HydrophobicContact CG-CD2 3.87Å; Q163-Y167 HydrophobicContact CG-CE2 3.47Å; Q163-Y167 VanDerWaalsContact CG-CE2 3.47Å; Q163-Y167 VanDerWaalsContact NE2-CE2 3.32Å; Q163-Y167 VanDerWaalsContact NE2-CZ 3.34Å; Q163-Y167 PolarHBondContact NE2-OH 3Å; Q163-Y167 VanDerWaalsContact O-CD2 3.25Å; Q163-Y167 WeakPolarHBondContact O-CD2 3.27Å; Q163-Y167 PolarHBondContact O-N 3.19Å; G164-Y167 PolarHBondContact O-N 2.91Å; Y167-R169 PolarHBondContact O-N 3.01Å; Y167-R170 PolarHBondContact O-N 3.22Å; Y167-R170 VanDerWaalsContact O-N 3.16Å; Y167-L171 HydrophobicContact CD1-CD1 4.17Å; Y167-L171 WeakPolarHBondContact O-CB 3.45Å; Y167-L171 WeakPolarHBondContact O-CG 3.47Å; Y167-L171 PolarHBondContact O-N 2.92Å; Y167-L197 HydrophobicContact CD1-CD1 4.31Å; Y167-L197 HydrophobicContact CD2-CD1 4.32Å; Y167-L197 HydrophobicContact CG-CD1 3.86Å; Y167-N198 PolarHBondContact OH-OD1 2.91Å
168	L	90.9	Very high	91.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-46.6	179.5	-159.3	73.3	0	0	0	111.2	G164 L165 H166 R170 C172 I180 I183 L190 L193 F215	G164-L168 WeakPolarHBondContact O-CB 3.32Å; G164-L168 PolarHBondContact O-N 2.99Å; L165-L168 PolarHBondContact O-N 3.07Å; H166-L168 VanDerWaalsContact C-N 3.33Å; H166-L168 PolarHBondContact O-N 3.15Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 PolarHBondContact O-N 3.25Å; L168-C172 WeakPolarHBondContact CD1-SG 3.18Å; L168-C172 WeakPolarHBondContact O-CB 3.25Å; L168-C172 PolarHBondContact O-N 2.87Å; L168-C172 PolarHBondContact O-SG 2.97Å; L168-C172 VanDerWaalsContact O-SG 3.35Å; L168-I180 HydrophobicContact CD2-CB 4.08Å; L168-I180 HydrophobicContact CD2-CD1 4.14Å; L168-I180 HydrophobicContact CD2-CG1 3.57Å; L168-I180 HydrophobicContact CD2-CG2 3.77Å; L168-I180 HydrophobicContact CG-CD1 3.8Å; L168-I180 HydrophobicContact CG-CG1 3.79Å; L168-I180 HydrophobicContact CG-CG2 4.39Å; L168-I183 HydrophobicContact CD2-CD1 4Å; L168-L190 HydrophobicContact CD2-CD2 4.14Å; L168-L193 HydrophobicContact CB-CD2 4.05Å; L168-L193 HydrophobicContact CD1-CD2 3.54Å; L168-L193 HydrophobicContact CG-CD2 4.29Å; L168-F215 HydrophobicContact CD1-CB 4.41Å; L168-F215 HydrophobicContact CD1-CD2 3.61Å; L168-F215 HydrophobicContact CD1-CE2 4.08Å; L168-F215 HydrophobicContact CD1-CG 4.01Å; L168-F215 HydrophobicContact CD2-CD2 4.36Å; L168-F215 HydrophobicContact CD2-CE1 4.48Å; L168-F215 HydrophobicContact CD2-CE2 4.16Å; L168-F215 HydrophobicContact CD2-CZ 4.23Å; L168-F215 HydrophobicContact CG-CD2 4.47Å
169	R	91	Very high	91.3	Very high	121 Å²	121	53.8 Å²	53.8	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-64.8	-33.1	175.7	-73	175.6	174	177.6	-1.6	113.6	L165 H166 Y167 I180	L165-R169 WeakPolarHBondContact O-CG 3.45Å; L165-R169 PolarHBondContact O-N 2.97Å; H166-R169 PolarHBondContact O-N 3.11Å; Y167-R169 PolarHBondContact O-N 3.01Å; R169-I180 HydrophobicContact CG-CG2 4.24Å
170	R	90.9	Very high	91	Very high	80 Å²	80	52.8 Å²	52.8	30%	0.302	26%	0.259	S	S	.	.	H	α-helix	trans	-78	-38.5	-176.5	-176.3	-179	85	155.1	0.6	112.5	H166 Y167 L168 E201 H210 K211	H166-R170 WeakPolarHBondContact O-CB 3.19Å; H166-R170 PolarHBondContact O-N 3.39Å; Y167-R170 PolarHBondContact O-N 3.22Å; Y167-R170 VanDerWaalsContact O-N 3.16Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 PolarHBondContact O-N 3.25Å; R170-E201 IonicContact NH2-OE1 3.75Å; R170-H210 VanDerWaalsContact CG-CE1 3.47Å; R170-H210 WeakPolarHBondContact CG-CE1 3.27Å; R170-H210 VanDerWaalsContact CG-ND1 3.27Å; R170-H210 WeakPolarHBondContact CG-ND1 3.31Å; R170-H210 PolarHBondContact O-ND1 3.03Å; R170-K211 PolarHBondContact O-N 2.93Å
171	L	90.2	Very high	90.6	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-105.8	-31.3	-168	-58.4	174.6	0	0	0	113.6	Y167 L197 K211 S212 M213	Y167-L171 HydrophobicContact CD1-CD1 4.17Å; Y167-L171 WeakPolarHBondContact O-CB 3.45Å; Y167-L171 WeakPolarHBondContact O-CG 3.47Å; Y167-L171 PolarHBondContact O-N 2.92Å; L171-L197 HydrophobicContact CD1-CD1 4Å; L171-K211 CarbonylContact O-C 3.59Å; L171-K211 WeakPolarHBondContact O-CA 3.37Å; L171-K211 PolarHBondContact O-N 3.46Å; L171-S212 PolarHBondContact O-N 3.17Å; L171-M213 HydrophobicContact CB-CE 3.42Å; L171-M213 VanDerWaalsContact CB-CE 3.42Å; L171-M213 HydrophobicContact CD1-CE 3.61Å; L171-M213 HydrophobicContact CG-CE 4.11Å; L171-M213 PolarHBondContact O-N 3.29Å
172	C	90.8	Very high	90.3	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.027	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-76.7	146.8	-177.2	-61.4	0	0	0	0	112.3	L168 I180 K211 M213 F215	L168-C172 WeakPolarHBondContact CD1-SG 3.18Å; L168-C172 WeakPolarHBondContact O-CB 3.25Å; L168-C172 PolarHBondContact O-N 2.87Å; L168-C172 PolarHBondContact O-SG 2.97Å; L168-C172 VanDerWaalsContact O-SG 3.35Å; C172-I180 HydrophobicContact CB-CD1 3.98Å; C172-K211 WeakPolarHBondContact O-CA 3.27Å; C172-M213 CarbonylContact C-O 3.59Å; C172-M213 WeakPolarHBondContact CA-O 3.4Å; C172-F215 HydrophobicContact CB-CB 4.25Å
173	H	90.8	Very high	90	Very high	16 Å²	16	50.1 Å²	50.1	7%	0.074	26%	0.256	C	S	.	.			trans	-60.6	141.1	178.6	-173.7	-88.3	0	0	0	111.8	H175 Y176 K211 M213 P693 A696	H173-H175 VanDerWaalsContact ND1-CB 3.26Å; H173-H175 WeakPolarHBondContact ND1-CB 3.31Å; H173-H175 PolarHBondContact ND1-N 3.28Å; H173-H175 VanDerWaalsContact ND1-N 3.19Å; H173-H175 PolarHBondContact O-N 3.43Å; H173-Y176 HydrophobicContact CB-CD2 4.08Å; H173-Y176 HydrophobicContact CB-CE2 4.37Å; H173-Y176 PolarHBondContact O-N 2.71Å; H173-K211 WeakPolarHBondContact CA-O 3.49Å; H173-K211 PolarHBondContact CD2-O 3.05Å; H173-K211 VanDerWaalsContact CD2-O 3.29Å; H173-M213 PolarHBondContact N-O 3.13Å; H173-P693 PolarHBondContact NE2-O 3.22Å; H173-A696 WeakPolarHBondContact CE1-CB 3.46Å; H173-A696 WeakPolarHBondContact ND1-CB 3.4Å
174	P	88.1	Confident	89.6	Confident	53 Å²	53	51.9 Å²	51.9	34%	0.344	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-56.2	-27.9	-174.6	-29.1	37.2	0	0	0	115	Y176 I177 K211	P174-Y176 PolarHBondContact O-N 3.41Å; P174-Y176 VanDerWaalsContact O-N 3.15Å; P174-I177 HydrophobicContact CB-CD1 3.88Å; P174-I177 VanDerWaalsContact O-CB 3.27Å; P174-I177 WeakPolarHBondContact O-CB 3.32Å; P174-I177 VanDerWaalsContact O-CG1 3.28Å; P174-I177 WeakPolarHBondContact O-CG1 3.42Å; P174-I177 PolarHBondContact O-N 3Å; P174-K211 HydrophobicContact CG-CB 4.38Å; P174-K211 HydrophobicContact CG-CD 4.09Å; P174-K211 HydrophobicContact CG-CG 4.38Å
175	H	87.9	Confident	89.3	Confident	102 Å²	102	57.9 Å²	57.9	47%	0.472	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-53.2	-32.1	174.4	-174.8	69	0	0	0	113.2	H173 P178 A696	H173-H175 VanDerWaalsContact ND1-CB 3.26Å; H173-H175 WeakPolarHBondContact ND1-CB 3.31Å; H173-H175 PolarHBondContact ND1-N 3.28Å; H173-H175 VanDerWaalsContact ND1-N 3.19Å; H173-H175 PolarHBondContact O-N 3.43Å; H175-P178 WeakPolarHBondContact O-CD 3.45Å; H175-A696 HydrophobicContact CB-CB 3.85Å
176	Y	89.3	Confident	89.2	Confident	22 Å²	22	60.2 Å²	60.2	9%	0.086	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-91.4	0.1	-178	-60.9	-71.8	0	0	0	113.8	H173 P174 P178 S179 I180 K214 F215 Y699	H173-Y176 HydrophobicContact CB-CD2 4.08Å; H173-Y176 HydrophobicContact CB-CE2 4.37Å; H173-Y176 PolarHBondContact O-N 2.71Å; P174-Y176 PolarHBondContact O-N 3.41Å; P174-Y176 VanDerWaalsContact O-N 3.15Å; Y176-P178 VanDerWaalsContact C-CD 3.48Å; Y176-S179 WeakPolarHBondContact O-CB 3.39Å; Y176-S179 PolarHBondContact O-N 3.23Å; Y176-I180 WeakPolarHBondContact O-CG1 3.4Å; Y176-I180 PolarHBondContact O-N 2.69Å; Y176-K214 HydrophobicContact CE2-CB 4.32Å; Y176-K214 HydrophobicContact CE2-CG 4.14Å; Y176-F215 WeakPolarHBondContact CD1-O 3.41Å; Y176-F215 HydrophobicContact CG-CB 4.33Å; Y176-Y699 HydrophobicContact CE2-CD2 4.14Å; Y176-Y699 WeakPolarHBondContact OH-CB 3.17Å
177	I	88.4	Confident	89.2	Confident	72 Å²	72	60.7 Å²	60.7	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-53.9	-42.7	179.3	-72.1	170.8	0	0	0	113	P174 S179 I180 Y181	P174-I177 HydrophobicContact CB-CD1 3.88Å; P174-I177 VanDerWaalsContact O-CB 3.27Å; P174-I177 WeakPolarHBondContact O-CB 3.32Å; P174-I177 VanDerWaalsContact O-CG1 3.28Å; P174-I177 WeakPolarHBondContact O-CG1 3.42Å; P174-I177 PolarHBondContact O-N 3Å; I177-S179 VanDerWaalsContact C-N 3.33Å; I177-S179 PolarHBondContact O-N 3.47Å; I177-I180 WeakPolarHBondContact O-CB 3.22Å; I177-I180 PolarHBondContact O-N 2.88Å; I177-I180 VanDerWaalsContact O-N 3.16Å; I177-Y181 HydrophobicContact CG2-CD2 3.64Å; I177-Y181 HydrophobicContact CG2-CE2 3.37Å; I177-Y181 VanDerWaalsContact O-CD2 3.23Å; I177-Y181 WeakPolarHBondContact O-CD2 3.2Å; I177-Y181 PolarHBondContact O-N 3.29Å
178	P	88.6	Confident	89.2	Confident	91 Å²	91	62.1 Å²	62.1	59%	0.591	31%	0.306	S	S	*	.	H	α-helix	trans	-58.2	-44	175.5	-25.6	36	0	0	0	112.6	H175 Y176 I180 Y181 A182	H175-P178 WeakPolarHBondContact O-CD 3.45Å; Y176-P178 VanDerWaalsContact C-CD 3.48Å; P178-I180 VanDerWaalsContact C-N 3.3Å; P178-I180 PolarHBondContact O-N 3.05Å; P178-Y181 PolarHBondContact O-N 3.24Å; P178-Y181 VanDerWaalsContact O-N 3.16Å; P178-A182 PolarHBondContact O-N 3.32Å
179	S	86.8	Confident	89.4	Confident	58 Å²	58	62 Å²	62	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-36.7	176.5	-50.7	0	0	0	0	111.9	Y176 I177 A182 I183	Y176-S179 WeakPolarHBondContact O-CB 3.39Å; Y176-S179 PolarHBondContact O-N 3.23Å; I177-S179 VanDerWaalsContact C-N 3.33Å; I177-S179 PolarHBondContact O-N 3.47Å; S179-A182 WeakPolarHBondContact O-CB 3.19Å; S179-A182 PolarHBondContact O-N 3.17Å; S179-I183 PolarHBondContact O-N 3.07Å
180	I	87.2	Confident	89.6	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-42.5	174.4	-64.6	172.4	0	0	0	111	L165 L168 R169 C172 Y176 I177 P178 A182 I183 K184 F215	L165-I180 HydrophobicContact CD1-CG2 3.69Å; L168-I180 HydrophobicContact CD2-CB 4.08Å; L168-I180 HydrophobicContact CD2-CD1 4.14Å; L168-I180 HydrophobicContact CD2-CG1 3.57Å; L168-I180 HydrophobicContact CD2-CG2 3.77Å; L168-I180 HydrophobicContact CG-CD1 3.8Å; L168-I180 HydrophobicContact CG-CG1 3.79Å; L168-I180 HydrophobicContact CG-CG2 4.39Å; R169-I180 HydrophobicContact CG-CG2 4.24Å; C172-I180 HydrophobicContact CB-CD1 3.98Å; Y176-I180 WeakPolarHBondContact O-CG1 3.4Å; Y176-I180 PolarHBondContact O-N 2.69Å; I177-I180 WeakPolarHBondContact O-CB 3.22Å; I177-I180 PolarHBondContact O-N 2.88Å; I177-I180 VanDerWaalsContact O-N 3.16Å; P178-I180 VanDerWaalsContact C-N 3.3Å; P178-I180 PolarHBondContact O-N 3.05Å; I180-A182 VanDerWaalsContact C-N 3.32Å; I180-A182 PolarHBondContact O-N 2.74Å; I180-I183 WeakPolarHBondContact O-CG1 3.24Å; I180-I183 PolarHBondContact O-N 3.44Å; I180-K184 PolarHBondContact O-N 3.18Å; I180-F215 HydrophobicContact CG1-CD1 3.8Å; I180-F215 HydrophobicContact CG1-CE1 3.99Å
181	Y	87.2	Confident	89.9	Confident	126 Å²	126	53.2 Å²	53.2	49%	0.494	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-34.9	176.5	-80.5	-69.8	0	0	0	112.6	I177 P178 I183 K184	I177-Y181 HydrophobicContact CG2-CD2 3.64Å; I177-Y181 HydrophobicContact CG2-CE2 3.37Å; I177-Y181 VanDerWaalsContact O-CD2 3.23Å; I177-Y181 WeakPolarHBondContact O-CD2 3.2Å; I177-Y181 PolarHBondContact O-N 3.29Å; P178-Y181 PolarHBondContact O-N 3.24Å; P178-Y181 VanDerWaalsContact O-N 3.16Å; Y181-I183 PolarHBondContact O-N 3.41Å; Y181-K184 WeakPolarHBondContact O-CG 3.48Å; Y181-K184 PolarHBondContact O-N 3.14Å
182	A	87.3	Confident	90.2	Very high	83 Å²	83	53.2 Å²	53.2	69%	0.686	27%	0.274	S	S	*	.	H	α-helix	trans	-64.3	-28.2	177.1	0	0	0	0	0	113	P178 S179 I180	P178-A182 PolarHBondContact O-N 3.32Å; S179-A182 WeakPolarHBondContact O-CB 3.19Å; S179-A182 PolarHBondContact O-N 3.17Å; I180-A182 VanDerWaalsContact C-N 3.32Å; I180-A182 PolarHBondContact O-N 2.74Å
183	I	87.5	Confident	90.5	Very high	9 Å²	9	53 Å²	53	5%	0.046	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	9.8	-178.8	68.4	141.9	0	0	0	114.2	L98 L168 S179 I180 Y181 E185 K186 L190 F215 F217	L98-I183 HydrophobicContact CD1-CD1 3.86Å; L168-I183 HydrophobicContact CD2-CD1 4Å; S179-I183 PolarHBondContact O-N 3.07Å; I180-I183 WeakPolarHBondContact O-CG1 3.24Å; I180-I183 PolarHBondContact O-N 3.44Å; Y181-I183 PolarHBondContact O-N 3.41Å; I183-E185 PolarHBondContact O-N 3.33Å; I183-K186 HydrophobicContact CB-CB 4.31Å; I183-K186 HydrophobicContact CB-CG 3.98Å; I183-K186 HydrophobicContact CG2-CG 4.45Å; I183-K186 VanDerWaalsContact O-CB 3.3Å; I183-K186 WeakPolarHBondContact O-CB 3.27Å; I183-K186 PolarHBondContact O-N 3.5Å; I183-L190 HydrophobicContact CD1-CD2 4.03Å; I183-F215 HydrophobicContact CD1-CE1 4.28Å; I183-F215 HydrophobicContact CD1-CE2 3.91Å; I183-F215 HydrophobicContact CD1-CZ 3.35Å; I183-F215 HydrophobicContact CG1-CE1 4.35Å; I183-F215 HydrophobicContact CG1-CZ 3.81Å; I183-F217 HydrophobicContact CD1-CD2 4.43Å; I183-F217 HydrophobicContact CG2-CB 3.98Å; I183-F217 HydrophobicContact CG2-CD1 3.78Å; I183-F217 HydrophobicContact CG2-CD2 3.88Å; I183-F217 HydrophobicContact CG2-CE1 4.23Å; I183-F217 HydrophobicContact CG2-CE2 4.33Å; I183-F217 HydrophobicContact CG2-CG 3.6Å; I183-F217 HydrophobicContact CG2-CZ 4.49Å
184	K	86.5	Confident	90.7	Very high	106 Å²	106	52.3 Å²	52.3	46%	0.461	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.5	-176.7	75.4	-173.4	178.5	175.6	0	113.8	I180 Y181	I180-K184 PolarHBondContact O-N 3.18Å; Y181-K184 WeakPolarHBondContact O-CG 3.48Å; Y181-K184 PolarHBondContact O-N 3.14Å
185	E	87.3	Confident	91.1	Very high	127 Å²	127	49.8 Å²	49.8	59%	0.593	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	1	-178.9	-59.1	175.7	-172.8	0	0	112.6	I183 F187	I183-E185 PolarHBondContact O-N 3.33Å; E185-F187 VanDerWaalsContact C-N 3.31Å; E185-F187 VanDerWaalsContact O-CD2 3.3Å; E185-F187 WeakPolarHBondContact O-CD2 3.43Å; E185-F187 WeakPolarHBondContact O-CE2 3.37Å; E185-F187 PolarHBondContact O-N 3.35Å; E185-F187 VanDerWaalsContact O-N 3.1Å
186	K	90.2	Very high	91.5	Very high	77 Å²	77	45 Å²	45	34%	0.335	23%	0.231	S	C	.	.			trans	-87.1	70.2	177.8	-58.6	-56.7	-177.5	-173.9	0	110.7	Q100 I183 Y188 A189 L190 F217	Q100-K186 HydrophobicContact CB-CD 4.5Å; Q100-K186 VanDerWaalsContact OE1-CA 3.25Å; Q100-K186 PolarHBondContact OE1-O 3.46Å; I183-K186 HydrophobicContact CB-CB 4.31Å; I183-K186 HydrophobicContact CB-CG 3.98Å; I183-K186 HydrophobicContact CG2-CG 4.45Å; I183-K186 VanDerWaalsContact O-CB 3.3Å; I183-K186 WeakPolarHBondContact O-CB 3.27Å; I183-K186 PolarHBondContact O-N 3.5Å; K186-Y188 VanDerWaalsContact C-N 3.31Å; K186-Y188 PolarHBondContact O-N 3.08Å; K186-A189 HydrophobicContact CB-CB 4.37Å; K186-A189 PolarHBondContact O-N 2.83Å; K186-L190 WeakPolarHBondContact O-CG 3.46Å; K186-L190 PolarHBondContact O-N 3.44Å; K186-L190 VanDerWaalsContact O-N 3.13Å; K186-F217 HydrophobicContact CB-CE2 4.42Å; K186-F217 HydrophobicContact CD-CZ 4.35Å; K186-F217 HydrophobicContact CG-CE2 4.18Å; K186-F217 HydrophobicContact CG-CZ 4.02Å
187	F	93	Very high	91.6	Very high	108 Å²	108	44.1 Å²	44.1	47%	0.474	23%	0.228	S	C	.	.	H	α-helix	trans	-56.6	-38.2	-171.9	-53.1	-65.2	0	0	0	114.1	D161 E185 S191	D161-F187 HydrophobicContact CB-CB 4.29Å; D161-F187 HydrophobicContact CB-CD1 4.36Å; E185-F187 VanDerWaalsContact C-N 3.31Å; E185-F187 VanDerWaalsContact O-CD2 3.3Å; E185-F187 WeakPolarHBondContact O-CD2 3.43Å; E185-F187 WeakPolarHBondContact O-CE2 3.37Å; E185-F187 PolarHBondContact O-N 3.35Å; E185-F187 VanDerWaalsContact O-N 3.1Å; F187-S191 VanDerWaalsContact O-CB 3.29Å; F187-S191 WeakPolarHBondContact O-CB 3.35Å; F187-S191 PolarHBondContact O-N 2.99Å; F187-S191 PolarHBondContact O-OG 2.9Å
188	Y	94.2	Very high	91.8	Very high	45 Å²	45	41.7 Å²	41.7	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-76.3	-42.3	-175.6	-60.9	-61.8	0	0	0	112.4	V74 G76 S80 E83 K186 L190 S191 A192	V74-Y188 HydrophobicContact CG1-CD1 4.35Å; V74-Y188 WeakPolarHBondContact CG1-O 3.42Å; G76-Y188 VanDerWaalsContact CA-CE1 3.42Å; G76-Y188 VanDerWaalsContact CA-CZ 3.42Å; S80-Y188 WeakPolarHBondContact CB-OH 3.27Å; S80-Y188 PolarHBondContact OG-OH 2.89Å; E83-Y188 HydrophobicContact CB-CD2 4.16Å; E83-Y188 HydrophobicContact CB-CE2 4.09Å; E83-Y188 HydrophobicContact CG-CD2 3.79Å; E83-Y188 HydrophobicContact CG-CE2 4.08Å; K186-Y188 VanDerWaalsContact C-N 3.31Å; K186-Y188 PolarHBondContact O-N 3.08Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; Y188-L190 PolarHBondContact O-N 2.9Å; Y188-S191 PolarHBondContact O-N 3.26Å; Y188-A192 WeakPolarHBondContact O-CB 3.3Å; Y188-A192 PolarHBondContact O-N 3.49Å
189	A	94.6	Very high	91.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-44.6	172.2	0	0	0	0	0	111.6	L98 Q100 K186 A192 L193 F217	L98-A189 HydrophobicContact CB-CB 4.25Å; L98-A189 HydrophobicContact CD1-CB 4.46Å; Q100-A189 HydrophobicContact CB-CB 3.96Å; K186-A189 HydrophobicContact CB-CB 4.37Å; K186-A189 PolarHBondContact O-N 2.83Å; A189-A192 PolarHBondContact O-N 3.19Å; A189-L193 PolarHBondContact O-N 3.03Å; A189-F217 HydrophobicContact CB-CE2 4.32Å
190	L	95.7	Very high	92	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-38.1	177.9	-66.7	170.8	0	0	0	112	L98 D161 G164 L165 L168 I183 K186 Y188 L193 S194	L98-L190 HydrophobicContact CD1-CD2 4.42Å; D161-L190 HydrophobicContact CB-CB 4.2Å; G164-L190 WeakPolarHBondContact CA-O 3.38Å; L165-L190 HydrophobicContact CB-CD1 4.32Å; L165-L190 HydrophobicContact CB-CD2 4.43Å; L165-L190 HydrophobicContact CD1-CD2 4.48Å; L168-L190 HydrophobicContact CD2-CD2 4.14Å; I183-L190 HydrophobicContact CD1-CD2 4.03Å; K186-L190 WeakPolarHBondContact O-CG 3.46Å; K186-L190 PolarHBondContact O-N 3.44Å; K186-L190 VanDerWaalsContact O-N 3.13Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; Y188-L190 PolarHBondContact O-N 2.9Å; L190-L193 WeakPolarHBondContact O-CB 3.42Å; L190-L193 PolarHBondContact O-N 2.88Å; L190-S194 PolarHBondContact O-N 2.89Å
191	S	96.2	Very high	92.1	Very high	15 Å²	15	38.2 Å²	38.2	11%	0.105	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-42.7	175.1	-62.5	0	0	0	0	112	F159 D161 F187 Y188 L193 S194 A195	F159-S191 WeakPolarHBondContact CA-O 3.39Å; D161-S191 PolarHBondContact N-OG 3.2Å; F187-S191 VanDerWaalsContact O-CB 3.29Å; F187-S191 WeakPolarHBondContact O-CB 3.35Å; F187-S191 PolarHBondContact O-N 2.99Å; F187-S191 PolarHBondContact O-OG 2.9Å; Y188-S191 PolarHBondContact O-N 3.26Å; S191-L193 VanDerWaalsContact C-N 3.33Å; S191-S194 PolarHBondContact O-N 3.49Å; S191-A195 PolarHBondContact O-N 3.29Å
192	A	96.8	Very high	92.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-41.2	174.4	0	0	0	0	0	111.4	S72 V74 A87 Y188 A189 S194 A195 L196	S72-A192 VanDerWaalsContact CB-O 3.3Å; S72-A192 WeakPolarHBondContact CB-O 3.41Å; S72-A192 PolarHBondContact OG-O 3.42Å; V74-A192 HydrophobicContact CG1-CB 4.13Å; A87-A192 HydrophobicContact CB-CB 3.88Å; Y188-A192 WeakPolarHBondContact O-CB 3.3Å; Y188-A192 PolarHBondContact O-N 3.49Å; A189-A192 PolarHBondContact O-N 3.19Å; A192-S194 PolarHBondContact O-N 2.84Å; A192-A195 PolarHBondContact O-N 2.99Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 PolarHBondContact O-N 3.09Å
193	L	96.4	Very high	92	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-44.6	175.9	178.9	58.9	0	0	0	112.6	A87 V96 L98 L168 A189 L190 S191 A195 L196 L197	A87-L193 HydrophobicContact CB-CB 4.19Å; V96-L193 HydrophobicContact CG1-CD1 3.52Å; V96-L193 HydrophobicContact CG2-CD1 4.48Å; L98-L193 HydrophobicContact CD1-CB 4.5Å; L98-L193 HydrophobicContact CD1-CD2 4.08Å; L98-L193 HydrophobicContact CD2-CB 3.86Å; L98-L193 HydrophobicContact CD2-CD1 4.14Å; L98-L193 HydrophobicContact CD2-CD2 4.34Å; L98-L193 HydrophobicContact CD2-CG 4.33Å; L168-L193 HydrophobicContact CB-CD2 4.05Å; L168-L193 HydrophobicContact CD1-CD2 3.54Å; L168-L193 HydrophobicContact CG-CD2 4.29Å; A189-L193 PolarHBondContact O-N 3.03Å; L190-L193 WeakPolarHBondContact O-CB 3.42Å; L190-L193 PolarHBondContact O-N 2.88Å; S191-L193 VanDerWaalsContact C-N 3.33Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 3.19Å; L193-L196 HydrophobicContact CD1-CD2 4.5Å; L193-L196 WeakPolarHBondContact O-CB 3.4Å; L193-L196 PolarHBondContact O-N 3.17Å; L193-L197 HydrophobicContact CD1-CD1 3.71Å; L193-L197 HydrophobicContact CD1-CG 3.84Å; L193-L197 HydrophobicContact CG-CD1 4.01Å; L193-L197 HydrophobicContact CG-CG 4.47Å; L193-L197 PolarHBondContact O-N 3.03Å
194	S	96.3	Very high	91.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-44	177.7	177.3	0	0	0	0	111.5	H158 N160 L190 S191 A192 N198	H158-S194 CarbonylContact O-C 3.59Å; H158-S194 WeakPolarHBondContact O-CB 3.34Å; H158-S194 PolarHBondContact O-OG 3.29Å; N160-S194 WeakPolarHBondContact O-CB 3.38Å; L190-S194 PolarHBondContact O-N 2.89Å; S191-S194 PolarHBondContact O-N 3.49Å; A192-S194 PolarHBondContact O-N 2.84Å; S194-N198 WeakPolarHBondContact O-CB 3.39Å; S194-N198 PolarHBondContact O-N 3.12Å; S194-N198 VanDerWaalsContact O-N 3.17Å; S194-N198 PolarHBondContact O-ND2 3.39Å
195	A	96	Very high	91.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-40.7	177.5	0	0	0	0	0	112.1	H158 F159 S191 A192 L193 Y199	H158-A195 HydrophobicContact CB-CB 4.4Å; H158-A195 PolarHBondContact O-N 2.86Å; F159-A195 HydrophobicContact CD1-CB 3.65Å; F159-A195 HydrophobicContact CD2-CB 3.75Å; F159-A195 HydrophobicContact CE1-CB 3.49Å; F159-A195 VanDerWaalsContact CE1-CB 3.49Å; F159-A195 HydrophobicContact CE2-CB 3.58Å; F159-A195 HydrophobicContact CG-CB 3.79Å; F159-A195 HydrophobicContact CZ-CB 3.45Å; F159-A195 VanDerWaalsContact CZ-CB 3.45Å; S191-A195 PolarHBondContact O-N 3.29Å; A192-A195 PolarHBondContact O-N 2.99Å; L193-A195 VanDerWaalsContact C-N 3.31Å; L193-A195 PolarHBondContact O-N 3.19Å; A195-Y199 VanDerWaalsContact O-CB 3.24Å; A195-Y199 WeakPolarHBondContact O-CB 3.32Å; A195-Y199 PolarHBondContact O-N 3.3Å
196	L	95.1	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-51.4	177.9	-177.3	67.8	0	0	0	112.2	L70 A87 I89 I123 A192 L193 Y199 A200	L70-L196 HydrophobicContact CB-CD1 3.66Å; A87-L196 HydrophobicContact CB-CB 4.38Å; A87-L196 HydrophobicContact CB-CD2 3.79Å; I89-L196 HydrophobicContact CB-CD2 4.03Å; I89-L196 HydrophobicContact CG2-CD1 4Å; I89-L196 HydrophobicContact CG2-CD2 3.79Å; I89-L196 HydrophobicContact CG2-CG 3.91Å; I123-L196 HydrophobicContact CD1-CD1 3.71Å; A192-L196 WeakPolarHBondContact O-CB 3.45Å; A192-L196 PolarHBondContact O-N 3.09Å; L193-L196 HydrophobicContact CD1-CD2 4.5Å; L193-L196 WeakPolarHBondContact O-CB 3.4Å; L193-L196 PolarHBondContact O-N 3.17Å; L196-Y199 PolarHBondContact O-N 2.9Å; L196-A200 WeakPolarHBondContact O-CB 3.48Å; L196-A200 PolarHBondContact O-N 2.96Å
197	L	92.4	Very high	90.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-70.9	-39.8	-176.3	-69.5	175	0	0	0	112.4	I89 Y167 L171 L193 Y199 A200 E201 Y208 M213	I89-L197 HydrophobicContact CD1-CD2 4.32Å; Y167-L197 HydrophobicContact CD1-CD1 4.31Å; Y167-L197 HydrophobicContact CD2-CD1 4.32Å; Y167-L197 HydrophobicContact CG-CD1 3.86Å; L171-L197 HydrophobicContact CD1-CD1 4Å; L193-L197 HydrophobicContact CD1-CD1 3.71Å; L193-L197 HydrophobicContact CD1-CG 3.84Å; L193-L197 HydrophobicContact CG-CD1 4.01Å; L193-L197 HydrophobicContact CG-CG 4.47Å; L193-L197 PolarHBondContact O-N 3.03Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 3.01Å; L197-A200 PolarHBondContact O-N 2.98Å; L197-E201 WeakPolarHBondContact O-CB 3.42Å; L197-E201 PolarHBondContact O-N 3.18Å; L197-Y208 HydrophobicContact CD2-CD2 4.33Å; L197-Y208 HydrophobicContact CD2-CE2 4.17Å; L197-M213 HydrophobicContact CD2-CE 4.43Å
198	N	92.2	Very high	90.4	Very high	22 Å²	22	27.1 Å²	27.1	12%	0.118	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-43.9	173.2	-78.1	-52.6	0	0	0	111.1	Y167 S194 E201 E202	Y167-N198 PolarHBondContact OH-OD1 2.91Å; S194-N198 WeakPolarHBondContact O-CB 3.39Å; S194-N198 PolarHBondContact O-N 3.12Å; S194-N198 VanDerWaalsContact O-N 3.17Å; S194-N198 PolarHBondContact O-ND2 3.39Å; N198-E201 PolarHBondContact O-N 3.49Å; N198-E202 WeakPolarHBondContact O-CB 3.31Å; N198-E202 WeakPolarHBondContact O-CG 3.24Å; N198-E202 PolarHBondContact O-N 2.87Å
199	Y	92	Very high	89.8	Confident	22 Å²	22	25.1 Å²	25.1	9%	0.086	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-41.1	176.8	-177.5	-90	0	0	0	112.2	E121 I123 N152 V154 A195 L196 L197 E202 M203 H204	E121-Y199 PolarHBondContact OE2-OH 2.9Å; I123-Y199 HydrophobicContact CD1-CD1 3.35Å; I123-Y199 HydrophobicContact CD1-CD2 4.41Å; I123-Y199 HydrophobicContact CD1-CE1 4.03Å; I123-Y199 HydrophobicContact CD1-CG 3.58Å; I123-Y199 HydrophobicContact CG1-CD1 3.83Å; I123-Y199 HydrophobicContact CG1-CD2 4.28Å; I123-Y199 HydrophobicContact CG1-CE1 4.11Å; I123-Y199 HydrophobicContact CG1-CG 3.91Å; N152-Y199 HydrophobicContact CB-CE2 4.05Å; N152-Y199 PolarHBondContact ND2-OH 3.42Å; V154-Y199 HydrophobicContact CG2-CD2 3.49Å; V154-Y199 VanDerWaalsContact CG2-CD2 3.49Å; V154-Y199 HydrophobicContact CG2-CE2 4.16Å; V154-Y199 HydrophobicContact CG2-CG 4.31Å; A195-Y199 VanDerWaalsContact O-CB 3.24Å; A195-Y199 WeakPolarHBondContact O-CB 3.32Å; A195-Y199 PolarHBondContact O-N 3.3Å; L196-Y199 PolarHBondContact O-N 2.9Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 3.01Å; Y199-E202 PolarHBondContact O-N 3.14Å; Y199-M203 HydrophobicContact CD1-CB 4.44Å; Y199-M203 HydrophobicContact CD1-CG 4.35Å; Y199-M203 HydrophobicContact CD2-CG 3.71Å; Y199-M203 HydrophobicContact CE1-CB 4.1Å; Y199-M203 HydrophobicContact CE1-CG 4.06Å; Y199-M203 HydrophobicContact CE2-CB 4.31Å; Y199-M203 HydrophobicContact CE2-CG 3.39Å; Y199-M203 HydrophobicContact CE2-SD 4.46Å; Y199-M203 HydrophobicContact CG-CG 4.19Å; Y199-M203 WeakPolarHBondContact O-CB 3.28Å; Y199-M203 PolarHBondContact O-N 3.29Å; Y199-H204 AromaticContact CE1-NE2 3.88Å
200	A	89	Confident	89.3	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-40.9	176	0	0	0	0	0	112.4	L70 L196 L197 H204 G205 L206	L70-A200 HydrophobicContact CD1-CB 4.12Å; L196-A200 WeakPolarHBondContact O-CB 3.48Å; L196-A200 PolarHBondContact O-N 2.96Å; L197-A200 PolarHBondContact O-N 2.98Å; A200-H204 CarbonylContact O-C 3.56Å; A200-H204 WeakPolarHBondContact O-CA 3.4Å; A200-H204 WeakPolarHBondContact O-CB 3.42Å; A200-H204 PolarHBondContact O-N 3.32Å; A200-G205 PolarHBondContact O-N 3.07Å; A200-L206 HydrophobicContact CB-CD1 4.37Å; A200-L206 PolarHBondContact O-N 3.48Å
201	E	87.9	Confident	88.8	Confident	56 Å²	56	36.4 Å²	36.4	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-47.7	173.9	-81.9	178.9	172.3	0	0	111.2	R170 L197 N198 G205 L206	R170-E201 IonicContact NH2-OE1 3.75Å; L197-E201 WeakPolarHBondContact O-CB 3.42Å; L197-E201 PolarHBondContact O-N 3.18Å; N198-E201 PolarHBondContact O-N 3.49Å; E201-G205 WeakPolarHBondContact O-CA 3.17Å; E201-G205 PolarHBondContact O-N 2.87Å; E201-G205 VanDerWaalsContact O-N 3.15Å; E201-L206 WeakPolarHBondContact CG-O 3.31Å
202	E	88.4	Confident	88.4	Confident	115 Å²	115	35.7 Å²	35.7	54%	0.537	18%	0.175	S	C	.	.	H	α-helix	trans	-73.1	-46.7	-175.3	-72.5	-176.8	167.7	0	0	113.8	H158 N198 Y199	H158-E202 IonicContact NE2-OE1 2.7Å; N198-E202 WeakPolarHBondContact O-CB 3.31Å; N198-E202 WeakPolarHBondContact O-CG 3.24Å; N198-E202 PolarHBondContact O-N 2.87Å; Y199-E202 PolarHBondContact O-N 3.14Å
203	M	85.4	Confident	88	Confident	113 Å²	113	35.8 Å²	35.8	56%	0.557	18%	0.175	S	C	*	.	H	α-helix	trans	-91	-35.8	-172	-63.2	-61.1	104.3	0	0	113	Y199	Y199-M203 HydrophobicContact CD1-CB 4.44Å; Y199-M203 HydrophobicContact CD1-CG 4.35Å; Y199-M203 HydrophobicContact CD2-CG 3.71Å; Y199-M203 HydrophobicContact CE1-CB 4.1Å; Y199-M203 HydrophobicContact CE1-CG 4.06Å; Y199-M203 HydrophobicContact CE2-CB 4.31Å; Y199-M203 HydrophobicContact CE2-CG 3.39Å; Y199-M203 HydrophobicContact CE2-SD 4.46Å; Y199-M203 HydrophobicContact CG-CG 4.19Å; Y199-M203 WeakPolarHBondContact O-CB 3.28Å; Y199-M203 PolarHBondContact O-N 3.29Å
204	H	82.6	Confident	87.7	Confident	64 Å²	64	36.8 Å²	36.8	30%	0.296	18%	0.18	S	C	.	.	H	α-helix	trans	-105.8	-7	-177.7	-60.5	-77.6	0	0	0	113.2	H68 I91 E121 Y199 A200 L206	H68-H204 AromaticContact NE2-CE1 3.78Å; I91-H204 HydrophobicContact CD1-CB 4.45Å; E121-H204 IonicContact OE1-CE1 2.69Å; E121-H204 PolarHBondContact OE1-CE1 2.99Å; E121-H204 VanDerWaalsContact OE1-CE1 3.27Å; E121-H204 IonicContact OE1-NE2 2.71Å; E121-H204 PolarHBondContact OE1-NE2 3.03Å; E121-H204 IonicContact OE2-NE2 3.84Å; Y199-H204 AromaticContact CE1-NE2 3.88Å; A200-H204 CarbonylContact O-C 3.56Å; A200-H204 WeakPolarHBondContact O-CA 3.4Å; A200-H204 WeakPolarHBondContact O-CB 3.42Å; A200-H204 PolarHBondContact O-N 3.32Å; H204-L206 HydrophobicContact CB-CD1 3.67Å; H204-L206 HydrophobicContact CB-CG 3.66Å; H204-L206 PolarHBondContact O-N 3.04Å
205	G	81.4	Confident	87.3	Confident	25 Å²	25	37 Å²	37	26%	0.258	18%	0.18	S	C	.	.			trans	65.2	23.1	-178.9	0	0	0	0	0	113.4	A200 E201 S321	A200-G205 PolarHBondContact O-N 3.07Å; E201-G205 WeakPolarHBondContact O-CA 3.17Å; E201-G205 PolarHBondContact O-N 2.87Å; E201-G205 VanDerWaalsContact O-N 3.15Å; G205-S321 WeakPolarHBondContact O-CB 3.33Å
206	L	80.2	Confident	87	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.115	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.8	-174.4	-64	171.4	0	0	0	110.3	I91 A200 E201 H204 Y208	I91-L206 HydrophobicContact CB-CD1 4.16Å; I91-L206 HydrophobicContact CD1-CD1 3.98Å; I91-L206 HydrophobicContact CG1-CD1 3.7Å; I91-L206 HydrophobicContact CG2-CD1 3.68Å; I91-L206 HydrophobicContact CG2-CD2 3.99Å; I91-L206 HydrophobicContact CG2-CG 4.47Å; A200-L206 HydrophobicContact CB-CD1 4.37Å; A200-L206 PolarHBondContact O-N 3.48Å; E201-L206 WeakPolarHBondContact CG-O 3.31Å; H204-L206 HydrophobicContact CB-CD1 3.67Å; H204-L206 HydrophobicContact CB-CG 3.66Å; H204-L206 PolarHBondContact O-N 3.04Å; L206-Y208 HydrophobicContact CB-CE2 4.24Å
207	I	81.1	Confident	86.7	Confident	60 Å²	60	41.7 Å²	41.7	31%	0.308	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.9	173.9	-56.4	177.2	0	0	0	107.9	Q318 I319	I207-Q318 CarbonylContact O-C 3.58Å; I207-Q318 WeakPolarHBondContact O-CA 3.45Å; I207-I319 HydrophobicContact CG2-CB 4.49Å; I207-I319 PolarHBondContact O-N 2.87Å
208	Y	84.6	Confident	86.1	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	143.7	179.1	-61.2	-81.1	0	0	0	110.8	I89 L197 L206 M213 V317 Q318	I89-Y208 HydrophobicContact CD1-CE1 4.06Å; I89-Y208 HydrophobicContact CD1-CE2 3.78Å; I89-Y208 WeakPolarHBondContact CD1-OH 3.4Å; L197-Y208 HydrophobicContact CD2-CD2 4.33Å; L197-Y208 HydrophobicContact CD2-CE2 4.17Å; L206-Y208 HydrophobicContact CB-CE2 4.24Å; Y208-M213 HydrophobicContact CD1-CG 4.18Å; Y208-M213 HydrophobicContact CD1-SD 3.53Å; Y208-M213 VanDerWaalsContact CD1-SD 3.53Å; Y208-M213 HydrophobicContact CD2-CE 4.19Å; Y208-M213 HydrophobicContact CD2-SD 4Å; Y208-M213 HydrophobicContact CE1-SD 4Å; Y208-M213 HydrophobicContact CE2-SD 4.46Å; Y208-M213 HydrophobicContact CG-CE 4.05Å; Y208-M213 HydrophobicContact CG-CG 4.3Å; Y208-M213 HydrophobicContact CG-SD 3.51Å; Y208-M213 VanDerWaalsContact CG-SD 3.51Å; Y208-V317 CarbonylContact C-O 3.55Å; Y208-V317 HydrophobicContact CD1-CG1 4.01Å; Y208-Q318 HydrophobicContact CD1-CG 3.97Å; Y208-Q318 HydrophobicContact CE1-CG 3.74Å
209	A	81.8	Confident	85.1	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-64.1	151	174.5	0	0	0	0	0	111.4	S212 V317 I319 H692	A209-S212 WeakPolarHBondContact CB-OG 3.41Å; A209-S212 PolarHBondContact O-OG 3.05Å; A209-S212 VanDerWaalsContact O-OG 3.07Å; A209-V317 WeakPolarHBondContact CB-O 3.04Å; A209-V317 PolarHBondContact N-O 3.16Å; A209-I319 HydrophobicContact CB-CD1 3.81Å; A209-I319 HydrophobicContact CB-CG1 3.92Å; A209-H692 VanDerWaalsContact CB-CE1 3.44Å; A209-H692 WeakPolarHBondContact CB-CE1 3.49Å
210	H	84	Confident	83.6	Confident	113 Å²	113	45 Å²	45	52%	0.523	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	140.2	177.3	-70.4	-74.9	0	0	0	109.9	R170 S212	R170-H210 VanDerWaalsContact CG-CE1 3.47Å; R170-H210 WeakPolarHBondContact CG-CE1 3.27Å; R170-H210 VanDerWaalsContact CG-ND1 3.27Å; R170-H210 WeakPolarHBondContact CG-ND1 3.31Å; R170-H210 PolarHBondContact O-ND1 3.03Å; H210-S212 PolarHBondContact O-N 3.22Å; H210-S212 VanDerWaalsContact O-N 3.16Å
211	K	86	Confident	82.1	Confident	125 Å²	125	51.5 Å²	51.5	54%	0.543	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	28.2	172.7	-64.6	-178.4	178.4	-179.3	0	115.2	R170 L171 C172 H173 P174	R170-K211 PolarHBondContact O-N 2.93Å; L171-K211 CarbonylContact O-C 3.59Å; L171-K211 WeakPolarHBondContact O-CA 3.37Å; L171-K211 PolarHBondContact O-N 3.46Å; C172-K211 WeakPolarHBondContact O-CA 3.27Å; H173-K211 WeakPolarHBondContact CA-O 3.49Å; H173-K211 PolarHBondContact CD2-O 3.05Å; H173-K211 VanDerWaalsContact CD2-O 3.29Å; P174-K211 HydrophobicContact CG-CB 4.38Å; P174-K211 HydrophobicContact CG-CD 4.09Å; P174-K211 HydrophobicContact CG-CG 4.38Å
212	S	86.4	Confident	81.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.			trans	-120.4	-17.5	-174	67.7	0	0	0	0	114.5	L171 A209 H210 V317 Y699	L171-S212 PolarHBondContact O-N 3.17Å; A209-S212 WeakPolarHBondContact CB-OG 3.41Å; A209-S212 PolarHBondContact O-OG 3.05Å; A209-S212 VanDerWaalsContact O-OG 3.07Å; H210-S212 PolarHBondContact O-N 3.22Å; H210-S212 VanDerWaalsContact O-N 3.16Å; S212-V317 WeakPolarHBondContact OG-CG1 3.28Å; S212-Y699 WeakPolarHBondContact O-CE2 3.48Å; S212-Y699 PolarHBondContact O-OH 2.95Å
213	M	88.3	Confident	81.5	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-81.2	149.8	-176.4	-72	-154.5	-70.6	0	0	113.7	I89 V96 L171 C172 H173 L197 Y208 V317 Y699	I89-M213 HydrophobicContact CD1-SD 4.33Å; V96-M213 HydrophobicContact CG2-CE 4.06Å; V96-M213 HydrophobicContact CG2-SD 4.09Å; L171-M213 HydrophobicContact CB-CE 3.42Å; L171-M213 VanDerWaalsContact CB-CE 3.42Å; L171-M213 HydrophobicContact CD1-CE 3.61Å; L171-M213 HydrophobicContact CG-CE 4.11Å; L171-M213 PolarHBondContact O-N 3.29Å; C172-M213 CarbonylContact C-O 3.59Å; C172-M213 WeakPolarHBondContact CA-O 3.4Å; H173-M213 PolarHBondContact N-O 3.13Å; L197-M213 HydrophobicContact CD2-CE 4.43Å; Y208-M213 HydrophobicContact CD1-CG 4.18Å; Y208-M213 HydrophobicContact CD1-SD 3.53Å; Y208-M213 VanDerWaalsContact CD1-SD 3.53Å; Y208-M213 HydrophobicContact CD2-CE 4.19Å; Y208-M213 HydrophobicContact CD2-SD 4Å; Y208-M213 HydrophobicContact CE1-SD 4Å; Y208-M213 HydrophobicContact CE2-SD 4.46Å; Y208-M213 HydrophobicContact CG-CE 4.05Å; Y208-M213 HydrophobicContact CG-CG 4.3Å; Y208-M213 HydrophobicContact CG-SD 3.51Å; Y208-M213 VanDerWaalsContact CG-SD 3.51Å; M213-V317 HydrophobicContact CG-CG1 3.61Å; M213-Y699 WeakPolarHBondContact CA-OH 3.49Å
214	K	90	Very high	81.8	Confident	23 Å²	23	46.4 Å²	46.4	10%	0.1	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	143.5	167.3	179.4	175.1	-174.5	175.7	0	110.6	A94 N95 V96 Y176 Y699 E703	A94-K214 PolarHBondContact O-N 3.3Å; N95-K214 HydrophobicContact CB-CB 4.43Å; N95-K214 VanDerWaalsContact OD1-CB 3.31Å; N95-K214 WeakPolarHBondContact OD1-CB 3.47Å; V96-K214 PolarHBondContact N-O 2.74Å; Y176-K214 HydrophobicContact CE2-CB 4.32Å; Y176-K214 HydrophobicContact CE2-CG 4.14Å; K214-Y699 HydrophobicContact CB-CD1 3.71Å; K214-Y699 HydrophobicContact CB-CD2 3.82Å; K214-Y699 HydrophobicContact CB-CE1 3.54Å; K214-Y699 HydrophobicContact CB-CE2 3.67Å; K214-Y699 HydrophobicContact CB-CG 3.84Å; K214-Y699 HydrophobicContact CD-CD1 3.78Å; K214-Y699 HydrophobicContact CD-CE1 4.34Å; K214-Y699 HydrophobicContact CD-CG 3.98Å; K214-Y699 HydrophobicContact CG-CD1 4.25Å; K214-Y699 HydrophobicContact CG-CD2 4.46Å; K214-Y699 HydrophobicContact CG-CG 4.21Å; K214-Y699 VanDerWaalsContact N-CZ 3.33Å; K214-Y699 PolarHBondContact N-OH 3.29Å; K214-Y699 VanDerWaalsContact N-OH 3.09Å; K214-E703 WeakPolarHBondContact CE-OE1 3.08Å; K214-E703 IonicContact NZ-OE1 2.64Å; K214-E703 PolarHBondContact NZ-OE1 3.37Å
215	F	89.1	Confident	82.1	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130.1	173.3	164.8	-116.4	0	0	0	110.2	V96 L98 L168 C172 Y176 I180 I183 F217	V96-F215 WeakPolarHBondContact O-CA 3.36Å; L98-F215 HydrophobicContact CB-CE2 4.19Å; L98-F215 HydrophobicContact CD1-CD2 4.43Å; L98-F215 HydrophobicContact CD1-CE2 3.65Å; L98-F215 HydrophobicContact CD1-CZ 4.47Å; L98-F215 HydrophobicContact CG-CD2 4.41Å; L98-F215 HydrophobicContact CG-CE2 3.82Å; L168-F215 HydrophobicContact CD1-CB 4.41Å; L168-F215 HydrophobicContact CD1-CD2 3.61Å; L168-F215 HydrophobicContact CD1-CE2 4.08Å; L168-F215 HydrophobicContact CD1-CG 4.01Å; L168-F215 HydrophobicContact CD2-CD2 4.36Å; L168-F215 HydrophobicContact CD2-CE1 4.48Å; L168-F215 HydrophobicContact CD2-CE2 4.16Å; L168-F215 HydrophobicContact CD2-CZ 4.23Å; L168-F215 HydrophobicContact CG-CD2 4.47Å; C172-F215 HydrophobicContact CB-CB 4.25Å; Y176-F215 WeakPolarHBondContact CD1-O 3.41Å; Y176-F215 HydrophobicContact CG-CB 4.33Å; I180-F215 HydrophobicContact CG1-CD1 3.8Å; I180-F215 HydrophobicContact CG1-CE1 3.99Å; I183-F215 HydrophobicContact CD1-CE1 4.28Å; I183-F215 HydrophobicContact CD1-CE2 3.91Å; I183-F215 HydrophobicContact CD1-CZ 3.35Å; I183-F215 HydrophobicContact CG1-CE1 4.35Å; I183-F215 HydrophobicContact CG1-CZ 3.81Å; F215-F217 HydrophobicContact CE2-CB 4.24Å; F215-F217 HydrophobicContact CZ-CB 3.79Å
216	S	88.8	Confident	82.6	Confident	36 Å²	36	43.7 Å²	43.7	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.1	167.7	53.6	0	0	0	0	110.7	V96 E97 L98	V96-S216 PolarHBondContact O-N 3.05Å; E97-S216 WeakPolarHBondContact CA-O 3.34Å; E97-S216 WeakPolarHBondContact CB-OG 3.44Å; E97-S216 WeakPolarHBondContact CG-OG 3.45Å; L98-S216 PolarHBondContact N-O 3.39Å
217	F	89.5	Confident	82.8	Confident	62 Å²	62	43.3 Å²	43.3	27%	0.272	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.4	171.5	178	-94.7	0	0	0	109.7	L98 Q100 I183 K186 A189 F215	L98-F217 HydrophobicContact CB-CD2 3.89Å; L98-F217 CarbonylContact O-C 3.53Å; L98-F217 VanDerWaalsContact O-CA 3.25Å; L98-F217 WeakPolarHBondContact O-CA 3.2Å; Q100-F217 HydrophobicContact CB-CE2 4.12Å; Q100-F217 HydrophobicContact CB-CZ 4.19Å; I183-F217 HydrophobicContact CD1-CD2 4.43Å; I183-F217 HydrophobicContact CG2-CB 3.98Å; I183-F217 HydrophobicContact CG2-CD1 3.78Å; I183-F217 HydrophobicContact CG2-CD2 3.88Å; I183-F217 HydrophobicContact CG2-CE1 4.23Å; I183-F217 HydrophobicContact CG2-CE2 4.33Å; I183-F217 HydrophobicContact CG2-CG 3.6Å; I183-F217 HydrophobicContact CG2-CZ 4.49Å; K186-F217 HydrophobicContact CB-CE2 4.42Å; K186-F217 HydrophobicContact CD-CZ 4.35Å; K186-F217 HydrophobicContact CG-CE2 4.18Å; K186-F217 HydrophobicContact CG-CZ 4.02Å; A189-F217 HydrophobicContact CB-CE2 4.32Å; F215-F217 HydrophobicContact CE2-CB 4.24Å; F215-F217 HydrophobicContact CZ-CB 3.79Å
218	T	79.7	Confident	82.9	Confident	39 Å²	39	42.4 Å²	42.4	24%	0.239	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.8	174.2	63.6	0	0	0	0	109.7	E97 L98 S99	E97-T218 HydrophobicContact CG-CG2 4.35Å; E97-T218 VanDerWaalsContact OE1-CG2 3.27Å; E97-T218 WeakPolarHBondContact OE1-CG2 3.3Å; L98-T218 PolarHBondContact O-N 3.03Å; S99-T218 WeakPolarHBondContact CA-O 3.48Å; S99-T218 WeakPolarHBondContact CB-O 3.39Å; S99-T218 WeakPolarHBondContact CB-OG1 3.44Å
219	G	71.2	Confident	82.8	Confident	39 Å²	39	46.2 Å²	46.2	40%	0.402	25%	0.245	S	C	.	.			trans	-81.2	-166.4	167.1	0	0	0	0	0	112.1
220	S	60.9	Low	83.3	Confident	41 Å²	41	46.2 Å²	46.2	29%	0.287	25%	0.245	S	C	.	.	S	Bend	trans	-101.4	2.1	-173.4	-173.6	0	0	0	0	116.1	R109	R109-S220 VanDerWaalsContact CZ-OG 3.31Å; R109-S220 PolarHBondContact NH1-OG 3.26Å; R109-S220 VanDerWaalsContact NH1-OG 3.12Å
221	V	57.1	Low	83.5	Confident	135 Å²	135	41 Å²	41	82%	0.818	22%	0.222	S	C	*	.	S	Bend	trans	-106.7	0.1	-144.4	-149.6	0	0	0	0	116.7
222	K	76.9	Confident	83.5	Confident	137 Å²	137	36.8 Å²	36.8	60%	0.596	21%	0.205	S	C	*	.	S	Bend	trans	-143.6	33.6	-177.2	-67.2	-168.8	169.2	-159.1	0	115.2	C274 D275	K222-C274 PolarHBondContact O-N 2.86Å; K222-D275 HydrophobicContact CD-CB 4.24Å; K222-D275 IonicContact NZ-OD1 3.58Å; K222-D275 PolarHBondContact NZ-OD1 3.06Å
223	S	87.3	Confident	83.6	Confident	40 Å²	40	38.3 Å²	38.3	28%	0.28	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-127.7	151.1	172	54.8	0	0	0	0	112.1	P272	S223-P272 CarbonylContact C-O 3.48Å; S223-P272 WeakPolarHBondContact CA-O 3.44Å; S223-P272 WeakPolarHBondContact CB-O 3.45Å
224	T	91.3	Very high	83.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.211	C	C	.	.			trans	-68.9	128.3	171.3	-57.5	0	0	0	0	108.2	I226 P272 C274 Q793 T808 D809 I811	T224-I226 HydrophobicContact CG2-CG1 4.41Å; T224-I226 PolarHBondContact O-N 3.15Å; T224-P272 PolarHBondContact N-O 3.03Å; T224-C274 WeakPolarHBondContact CA-SG 3.26Å; T224-C274 PolarHBondContact N-SG 3.43Å; T224-C274 PolarHBondContact OG1-SG 3.48Å; T224-Q793 PolarHBondContact OG1-NE2 3.35Å; T224-Q793 PolarHBondContact OG1-OE1 3.33Å; T224-T808 WeakPolarHBondContact CG2-O 3.4Å; T224-T808 PolarHBondContact OG1-O 3.09Å; T224-D809 CarbonylContact C-O 3.53Å; T224-D809 WeakPolarHBondContact CA-O 3.25Å; T224-I811 HydrophobicContact CG2-CD1 4.07Å; T224-I811 HydrophobicContact CG2-CG1 3.93Å
225	M	88.2	Confident	83.7	Confident	31 Å²	31	39.3 Å²	39.3	15%	0.153	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.9	174.7	-111.3	-70.7	-63.2	0	0	109.6	R109 V112 D227 D809 Q810 I811	R109-M225 HydrophobicContact CG-CE 4.48Å; R109-M225 HydrophobicContact CG-SD 3.8Å; V112-M225 HydrophobicContact CG2-SD 4.46Å; M225-D227 HydrophobicContact CE-CB 4.34Å; M225-D809 PolarHBondContact N-O 3.29Å; M225-Q810 HydrophobicContact CB-CB 4.49Å; M225-Q810 HydrophobicContact CB-CG 4.01Å; M225-Q810 VanDerWaalsContact O-CA 3.29Å; M225-Q810 WeakPolarHBondContact O-CA 3.42Å; M225-I811 PolarHBondContact O-N 2.88Å
226	I	91.3	Very high	83.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	109.2	166.9	-51.2	179.8	0	0	0	105.4	V112 T224 A231 L236 P272 I790 I811	V112-I226 WeakPolarHBondContact CG2-O 3.44Å; T224-I226 HydrophobicContact CG2-CG1 4.41Å; T224-I226 PolarHBondContact O-N 3.15Å; I226-A231 HydrophobicContact CG2-CB 4.02Å; I226-L236 HydrophobicContact CD1-CD1 3.85Å; I226-L236 HydrophobicContact CG2-CD1 4.09Å; I226-P272 HydrophobicContact CD1-CG 4.06Å; I226-I790 HydrophobicContact CD1-CD1 3.88Å; I226-I790 HydrophobicContact CD1-CG1 4.1Å; I226-I811 HydrophobicContact CD1-CD1 4.45Å; I226-I811 HydrophobicContact CG1-CB 4.34Å
227	D	85.4	Confident	83.6	Confident	14 Å²	14	37.8 Å²	37.8	8%	0.075	20%	0.204	C	C	.	.			trans	-65.8	162.4	-177.4	71.7	-87.8	0	0	0	111.8	M225 K229 S230 A231 Y837	M225-D227 HydrophobicContact CE-CB 4.34Å; D227-K229 VanDerWaalsContact C-N 3.28Å; D227-K229 PolarHBondContact O-N 2.91Å; D227-K229 WeakPolarHBondContact OD2-CA 3.4Å; D227-K229 WeakPolarHBondContact OD2-CB 3.24Å; D227-K229 PolarHBondContact OD2-N 3.4Å; D227-S230 PolarHBondContact O-N 3.37Å; D227-S230 WeakPolarHBondContact OD1-CB 3.41Å; D227-S230 PolarHBondContact OD1-OG 3.09Å; D227-S230 PolarHBondContact OD2-N 3.14Å; D227-A231 WeakPolarHBondContact O-CB 3.43Å; D227-A231 PolarHBondContact O-N 3.09Å; D227-Y837 HydrophobicContact CB-CE1 4.17Å
228	F	82.3	Confident	83.1	Confident	41 Å²	41	39.8 Å²	39.8	18%	0.18	21%	0.21	C	C	.	.	H	α-helix	trans	-53.6	-41.7	-176.9	178.5	-89.2	0	0	0	113.6	L111 L115 L145 N232	L111-F228 HydrophobicContact CB-CB 3.74Å; L111-F228 HydrophobicContact CB-CD2 4.05Å; L111-F228 HydrophobicContact CB-CG 4.11Å; L111-F228 HydrophobicContact CD1-CB 4.18Å; L111-F228 HydrophobicContact CD1-CG 4.43Å; L115-F228 HydrophobicContact CD1-CB 4.39Å; L115-F228 HydrophobicContact CD1-CD2 3.36Å; L115-F228 HydrophobicContact CD1-CE2 3.85Å; L115-F228 HydrophobicContact CD1-CG 4.12Å; L115-F228 HydrophobicContact CD2-CD2 3.92Å; L115-F228 HydrophobicContact CD2-CE2 3.49Å; L115-F228 VanDerWaalsContact CD2-CE2 3.49Å; L115-F228 HydrophobicContact CD2-CZ 4.43Å; L115-F228 HydrophobicContact CG-CD2 3.47Å; L115-F228 VanDerWaalsContact CG-CD2 3.47Å; L115-F228 HydrophobicContact CG-CE2 3.58Å; L145-F228 HydrophobicContact CD2-CE1 3.83Å; L145-F228 HydrophobicContact CD2-CE2 3.87Å; L145-F228 HydrophobicContact CD2-CZ 3.36Å; F228-N232 WeakPolarHBondContact CE1-ND2 3.45Å; F228-N232 VanDerWaalsContact CZ-ND2 3.33Å; F228-N232 WeakPolarHBondContact CZ-ND2 3.44Å; F228-N232 VanDerWaalsContact O-CG 3.29Å; F228-N232 PolarHBondContact O-N 3.17Å; F228-N232 PolarHBondContact O-ND2 3.17Å
229	K	84.2	Confident	82.7	Confident	83 Å²	83	38.3 Å²	38.3	36%	0.361	20%	0.201	S	C	.	.	H	α-helix	trans	-72.8	-46.4	-178.7	-69.4	-169.9	171	-168.7	0	110.3	D227 A231 N232 H233 E834	D227-K229 VanDerWaalsContact C-N 3.28Å; D227-K229 PolarHBondContact O-N 2.91Å; D227-K229 WeakPolarHBondContact OD2-CA 3.4Å; D227-K229 WeakPolarHBondContact OD2-CB 3.24Å; D227-K229 PolarHBondContact OD2-N 3.4Å; K229-A231 VanDerWaalsContact C-N 3.32Å; K229-A231 PolarHBondContact O-N 3.32Å; K229-N232 PolarHBondContact O-N 3.01Å; K229-N232 VanDerWaalsContact O-N 3.11Å; K229-H233 VanDerWaalsContact O-CG 3.24Å; K229-H233 PolarHBondContact O-N 3.38Å; K229-H233 PolarHBondContact O-ND1 2.81Å; K229-E834 HydrophobicContact CD-CG 3.79Å; K229-E834 VanDerWaalsContact CD-OE1 3.22Å; K229-E834 WeakPolarHBondContact CD-OE1 3.46Å; K229-E834 WeakPolarHBondContact CE-OE1 3.39Å; K229-E834 IonicContact NZ-OE1 3.88Å; K229-E834 PolarHBondContact NZ-OE1 2.9Å
230	S	90.7	Very high	82.3	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-56.7	-44.2	175.2	-63.6	0	0	0	0	112.3	D227 N232 H233 L234 F812 F813	D227-S230 PolarHBondContact O-N 3.37Å; D227-S230 WeakPolarHBondContact OD1-CB 3.41Å; D227-S230 PolarHBondContact OD1-OG 3.09Å; D227-S230 PolarHBondContact OD2-N 3.14Å; S230-N232 VanDerWaalsContact C-N 3.29Å; S230-N232 PolarHBondContact O-N 3.04Å; S230-H233 PolarHBondContact O-N 2.9Å; S230-L234 VanDerWaalsContact O-CB 3.22Å; S230-L234 WeakPolarHBondContact O-CB 3.28Å; S230-L234 VanDerWaalsContact O-CG 3.28Å; S230-L234 WeakPolarHBondContact O-CG 3.44Å; S230-L234 PolarHBondContact O-N 3.5Å; S230-F812 WeakPolarHBondContact OG-CA 3.47Å; S230-F813 PolarHBondContact OG-N 3.08Å
231	A	88.9	Confident	82.4	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-36.1	177.7	0	0	0	0	0	112.8	L115 I226 D227 K229 R235 L236 L270	L115-A231 HydrophobicContact CD1-CB 4.1Å; I226-A231 HydrophobicContact CG2-CB 4.02Å; D227-A231 WeakPolarHBondContact O-CB 3.43Å; D227-A231 PolarHBondContact O-N 3.09Å; K229-A231 VanDerWaalsContact C-N 3.32Å; K229-A231 PolarHBondContact O-N 3.32Å; A231-R235 PolarHBondContact O-N 2.98Å; A231-L236 HydrophobicContact CB-CD1 4.1Å; A231-L236 PolarHBondContact O-N 3.35Å; A231-L236 VanDerWaalsContact O-N 3.08Å; A231-L270 HydrophobicContact CB-CD2 4.17Å
232	N	86	Confident	82.7	Confident	35 Å²	35	42.9 Å²	42.9	19%	0.187	20%	0.197	C	C	.	.	H	α-helix	trans	-76.2	-41.1	175.9	-70.3	-17.3	0	0	0	112.3	F228 K229 S230 L234 R235 N240	F228-N232 WeakPolarHBondContact CE1-ND2 3.45Å; F228-N232 VanDerWaalsContact CZ-ND2 3.33Å; F228-N232 WeakPolarHBondContact CZ-ND2 3.44Å; F228-N232 VanDerWaalsContact O-CG 3.29Å; F228-N232 PolarHBondContact O-N 3.17Å; F228-N232 PolarHBondContact O-ND2 3.17Å; K229-N232 PolarHBondContact O-N 3.01Å; K229-N232 VanDerWaalsContact O-N 3.11Å; S230-N232 VanDerWaalsContact C-N 3.29Å; S230-N232 PolarHBondContact O-N 3.04Å; N232-L234 VanDerWaalsContact C-N 3.32Å; N232-L234 PolarHBondContact O-N 3.41Å; N232-R235 PolarHBondContact O-N 3.32Å; N232-N240 PolarHBondContact O-ND2 3.3Å; N232-N240 PolarHBondContact O-OD1 2.99Å
233	H	88.4	Confident	82	Confident	32 Å²	32	43.3 Å²	43.3	15%	0.148	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-35.7	177.7	-63.5	160.5	0	0	0	112.2	K229 S230 R235 R783 F813 T815 E834	K229-H233 VanDerWaalsContact O-CG 3.24Å; K229-H233 PolarHBondContact O-N 3.38Å; K229-H233 PolarHBondContact O-ND1 2.81Å; S230-H233 PolarHBondContact O-N 2.9Å; H233-R235 PolarHBondContact O-N 2.99Å; H233-R783 PolarHBondContact O-NH2 3.43Å; H233-F813 HydrophobicContact CB-CD1 3.46Å; H233-F813 VanDerWaalsContact CB-CD1 3.46Å; H233-F813 HydrophobicContact CB-CE1 4Å; H233-F813 HydrophobicContact CB-CG 4.41Å; H233-F813 PolarHBondContact ND1-O 2.8Å; H233-F813 VanDerWaalsContact ND1-O 3.09Å; H233-T815 HydrophobicContact CB-CG2 4.13Å; H233-E834 IonicContact CE1-OE2 3.13Å
234	L	91.8	Very high	81	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.4	170.9	-70.7	173.8	0	0	0	113.4	S230 N232 L236 R783 A786 Y787 I790 I811 F813	S230-L234 VanDerWaalsContact O-CB 3.22Å; S230-L234 WeakPolarHBondContact O-CB 3.28Å; S230-L234 VanDerWaalsContact O-CG 3.28Å; S230-L234 WeakPolarHBondContact O-CG 3.44Å; S230-L234 PolarHBondContact O-N 3.5Å; N232-L234 VanDerWaalsContact C-N 3.32Å; N232-L234 PolarHBondContact O-N 3.41Å; L234-L236 VanDerWaalsContact C-N 3.27Å; L234-L236 HydrophobicContact CB-CD2 3.76Å; L234-L236 HydrophobicContact CB-CG 3.88Å; L234-L236 HydrophobicContact CD1-CD2 4.39Å; L234-L236 PolarHBondContact O-N 2.9Å; L234-R783 HydrophobicContact CD2-CG 4.2Å; L234-A786 HydrophobicContact CD1-CB 4.07Å; L234-A786 HydrophobicContact CD2-CB 3.45Å; L234-A786 VanDerWaalsContact CD2-CB 3.45Å; L234-A786 HydrophobicContact CG-CB 4.42Å; L234-Y787 HydrophobicContact CB-CE1 4.45Å; L234-Y787 HydrophobicContact CD2-CE1 4.42Å; L234-Y787 WeakPolarHBondContact O-CE1 3.44Å; L234-Y787 PolarHBondContact O-OH 3.09Å; L234-I790 HydrophobicContact CD1-CD1 4.48Å; L234-I811 HydrophobicContact CD1-CG2 4.4Å; L234-F813 HydrophobicContact CD1-CB 4.1Å; L234-F813 HydrophobicContact CD2-CB 4.04Å; L234-F813 HydrophobicContact CD2-CD1 4.45Å; L234-F813 HydrophobicContact CD2-CD2 3.28Å; L234-F813 HydrophobicContact CD2-CE2 3.76Å; L234-F813 HydrophobicContact CD2-CG 3.67Å; L234-F813 HydrophobicContact CG-CB 3.75Å; L234-F813 HydrophobicContact CG-CD2 3.98Å; L234-F813 HydrophobicContact CG-CG 3.84Å
235	R	89.8	Confident	79.7	Confident	47 Å²	47	45.1 Å²	45.1	18%	0.177	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	48.7	-177.9	-57.9	-176.1	-172.6	162.3	5.3	112.5	A231 N232 H233 V237 Y241 T248 L249	A231-R235 PolarHBondContact O-N 2.98Å; N232-R235 PolarHBondContact O-N 3.32Å; H233-R235 PolarHBondContact O-N 2.99Å; R235-V237 PolarHBondContact O-N 2.79Å; R235-Y241 VanDerWaalsContact NH2-CE2 3.34Å; R235-T248 VanDerWaalsContact O-CA 3.23Å; R235-T248 WeakPolarHBondContact O-CA 3.4Å; R235-T248 WeakPolarHBondContact O-CB 3.39Å; R235-L249 PolarHBondContact O-N 2.78Å
236	L	90	Very high	78.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-64.7	-40.8	-173.5	-64	-177.6	0	0	0	112.5	I226 A231 L234 L249 Y250 Y787 I790	I226-L236 HydrophobicContact CD1-CD1 3.85Å; I226-L236 HydrophobicContact CG2-CD1 4.09Å; A231-L236 HydrophobicContact CB-CD1 4.1Å; A231-L236 PolarHBondContact O-N 3.35Å; A231-L236 VanDerWaalsContact O-N 3.08Å; L234-L236 VanDerWaalsContact C-N 3.27Å; L234-L236 HydrophobicContact CB-CD2 3.76Å; L234-L236 HydrophobicContact CB-CG 3.88Å; L234-L236 HydrophobicContact CD1-CD2 4.39Å; L234-L236 PolarHBondContact O-N 2.9Å; L236-L249 HydrophobicContact CD2-CB 4.35Å; L236-L249 HydrophobicContact CD2-CD2 3.89Å; L236-Y250 VanDerWaalsContact O-CB 3.27Å; L236-Y250 WeakPolarHBondContact O-CB 3.24Å; L236-Y250 PolarHBondContact O-N 3.35Å; L236-Y787 HydrophobicContact CD2-CD1 4.47Å; L236-Y787 HydrophobicContact CD2-CE1 4.25Å; L236-I790 HydrophobicContact CD1-CD1 4.1Å; L236-I790 HydrophobicContact CD2-CD1 3.56Å
237	V	84.8	Confident	78.4	Confident	8 Å²	8	53.5 Å²	53.5	5%	0.048	25%	0.25	C	C	.	.	S	Bend	trans	-139.3	-12.9	-175.2	-147.8	0	0	0	0	114.8	R235 Y250 R266 L270	R235-V237 PolarHBondContact O-N 2.79Å; V237-Y250 HydrophobicContact CG1-CD1 4.16Å; V237-Y250 HydrophobicContact CG1-CD2 3.88Å; V237-Y250 HydrophobicContact CG1-CG 3.61Å; V237-R266 HydrophobicContact CG1-CB 4.44Å; V237-R266 HydrophobicContact CG1-CG 3.87Å; V237-R266 HydrophobicContact CG2-CG 4.37Å; V237-L270 HydrophobicContact CG2-CD1 4.19Å; V237-L270 HydrophobicContact CG2-CD2 3.79Å; V237-L270 HydrophobicContact CG2-CG 3.84Å
238	R	78.5	Confident	78.6	Confident	104 Å²	104	52.8 Å²	52.8	39%	0.392	25%	0.246	S	C	.	.			trans	-140	141	176.2	-71.1	-175.3	175.9	166.3	-1.5	108.9	C118	C118-R238 PolarHBondContact SG-NH2 3.42Å
239	N	71.8	Confident	79.1	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.043	24%	0.238	C	C	.	.			trans	-83.5	139.1	169.4	-173.4	-16.3	0	0	0	109.5	Y241 D242 Y243 S244 T248	N239-Y241 VanDerWaalsContact C-N 3.3Å; N239-Y241 PolarHBondContact O-N 3.43Å; N239-Y241 VanDerWaalsContact OD1-CD2 3.31Å; N239-Y241 WeakPolarHBondContact OD1-CD2 3.42Å; N239-Y241 PolarHBondContact OD1-N 3.38Å; N239-D242 VanDerWaalsContact CB-OD1 3.3Å; N239-D242 WeakPolarHBondContact CB-OD1 3.5Å; N239-Y243 VanDerWaalsContact O-CA 3.32Å; N239-Y243 WeakPolarHBondContact O-CA 3.27Å; N239-Y243 PolarHBondContact O-N 3.34Å; N239-S244 PolarHBondContact N-O 3Å; N239-T248 HydrophobicContact CB-CG2 4.41Å
240	N	62.9	Low	79.5	Confident	62 Å²	62	48.5 Å²	48.5	33%	0.332	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.4	-174.8	-63.6	-21.7	0	0	0	112.9	N232	N232-N240 PolarHBondContact O-ND2 3.3Å; N232-N240 PolarHBondContact O-OD1 2.99Å
241	Y	62.3	Low	79.4	Confident	164 Å²	164	49.8 Å²	49.8	64%	0.643	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-50.5	-175	-56.1	-71	0	0	0	113.4	R235 N239	R235-Y241 VanDerWaalsContact NH2-CE2 3.34Å; N239-Y241 VanDerWaalsContact C-N 3.3Å; N239-Y241 PolarHBondContact O-N 3.43Å; N239-Y241 VanDerWaalsContact OD1-CD2 3.31Å; N239-Y241 WeakPolarHBondContact OD1-CD2 3.42Å; N239-Y241 PolarHBondContact OD1-N 3.38Å
242	D	64.2	Low	79.4	Confident	86 Å²	86	49.6 Å²	49.6	46%	0.46	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-0.8	-173.8	69	-8.2	0	0	0	113.3	N239 S244	N239-D242 VanDerWaalsContact CB-OD1 3.3Å; N239-D242 WeakPolarHBondContact CB-OD1 3.5Å; D242-S244 PolarHBondContact O-N 3.12Å; D242-S244 WeakPolarHBondContact OD1-CB 3.33Å; D242-S244 PolarHBondContact OD1-N 3.37Å; D242-S244 WeakPolarHBondContact OD2-CB 3.45Å
243	Y	62.5	Low	79.7	Confident	145 Å²	145	48 Å²	48	57%	0.569	23%	0.226	S	C	*	.			trans	54.5	14.4	-171.9	-60	-86.5	0	0	0	113.9	N147 N239	N147-Y243 WeakPolarHBondContact ND2-CE1 3.2Å; N147-Y243 PolarHBondContact ND2-OH 2.92Å; N239-Y243 VanDerWaalsContact O-CA 3.32Å; N239-Y243 WeakPolarHBondContact O-CA 3.27Å; N239-Y243 PolarHBondContact O-N 3.34Å
244	S	64.9	Low	79.9	Confident	36 Å²	36	48.9 Å²	48.9	25%	0.252	23%	0.232	S	C	.	.			trans	-77.9	163	178.4	-170.9	0	0	0	0	110.3	N239 D242 K246	N239-S244 PolarHBondContact N-O 3Å; D242-S244 PolarHBondContact O-N 3.12Å; D242-S244 WeakPolarHBondContact OD1-CB 3.33Å; D242-S244 PolarHBondContact OD1-N 3.37Å; D242-S244 WeakPolarHBondContact OD2-CB 3.45Å; S244-K246 VanDerWaalsContact C-N 3.28Å; S244-K246 WeakPolarHBondContact OG-CG 3.48Å; S244-K246 PolarHBondContact OG-N 3.24Å
245	A	64.1	Low	80	Confident	43 Å²	43	51.6 Å²	51.6	36%	0.355	24%	0.244	S	C	.	.	S	Bend	trans	-82.4	-8.2	167.4	0	0	0	0	0	112.2	T248 S251	A245-T248 WeakPolarHBondContact O-CB 3.38Å; A245-T248 WeakPolarHBondContact O-CG2 3.36Å; A245-T248 PolarHBondContact O-OG1 2.95Å; A245-S251 WeakPolarHBondContact O-CB 3.2Å; A245-S251 PolarHBondContact O-OG 3.44Å
246	K	73.3	Confident	80.3	Confident	142 Å²	142	50.6 Å²	50.6	62%	0.617	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	145.8	177.4	-67.5	-177.6	179.9	-172.3	0	110.9	S244 T248	S244-K246 VanDerWaalsContact C-N 3.28Å; S244-K246 WeakPolarHBondContact OG-CG 3.48Å; S244-K246 PolarHBondContact OG-N 3.24Å; K246-T248 VanDerWaalsContact C-N 3.28Å; K246-T248 PolarHBondContact O-N 2.83Å
247	D	80	Confident	80.5	Confident	66 Å²	66	52 Å²	52	35%	0.353	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	35	178	-45.9	-22.1	0	0	0	112.9	E749	D247-E749 VanDerWaalsContact CB-OE1 3.23Å; D247-E749 WeakPolarHBondContact CB-OE1 3.42Å
248	T	89.7	Confident	80.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-116.9	158.2	177.9	67.3	0	0	0	0	111	R235 N239 A245 K246 Y250 S251 A252	R235-T248 VanDerWaalsContact O-CA 3.23Å; R235-T248 WeakPolarHBondContact O-CA 3.4Å; R235-T248 WeakPolarHBondContact O-CB 3.39Å; N239-T248 HydrophobicContact CB-CG2 4.41Å; A245-T248 WeakPolarHBondContact O-CB 3.38Å; A245-T248 WeakPolarHBondContact O-CG2 3.36Å; A245-T248 PolarHBondContact O-OG1 2.95Å; K246-T248 VanDerWaalsContact C-N 3.28Å; K246-T248 PolarHBondContact O-N 2.83Å; T248-Y250 PolarHBondContact O-N 2.98Å; T248-S251 PolarHBondContact N-OG 3.48Å; T248-S251 PolarHBondContact O-N 2.95Å; T248-S251 PolarHBondContact O-OG 3.41Å; T248-S251 PolarHBondContact OG1-N 3.28Å; T248-S251 VanDerWaalsContact OG1-N 3.13Å; T248-A252 PolarHBondContact O-N 3.33Å
249	L	92.2	Very high	81.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-36.3	172.3	-178.8	60.9	0	0	0	111.2	R235 L236 A252 I253 L269 I744 V745 Y787 I790	R235-L249 PolarHBondContact O-N 2.78Å; L236-L249 HydrophobicContact CD2-CB 4.35Å; L236-L249 HydrophobicContact CD2-CD2 3.89Å; L249-A252 PolarHBondContact O-N 2.91Å; L249-I253 HydrophobicContact CD1-CG2 4.17Å; L249-I253 HydrophobicContact CG-CD1 4.46Å; L249-I253 WeakPolarHBondContact O-CG1 3.29Å; L249-I253 PolarHBondContact O-N 3.41Å; L249-L269 HydrophobicContact CD2-CD2 3.82Å; L249-L269 HydrophobicContact CG-CD2 4.24Å; L249-I744 HydrophobicContact CD1-CG2 3.53Å; L249-V745 HydrophobicContact CB-CG2 4.42Å; L249-V745 HydrophobicContact CD1-CG2 4.36Å; L249-Y787 HydrophobicContact CB-CD1 4.43Å; L249-Y787 HydrophobicContact CB-CE1 4.28Å; L249-Y787 HydrophobicContact CD1-CD1 4.32Å; L249-Y787 HydrophobicContact CD1-CD2 4.28Å; L249-Y787 HydrophobicContact CD1-CG 4.01Å; L249-Y787 HydrophobicContact CD2-CD1 3.84Å; L249-Y787 HydrophobicContact CD2-CE1 4.42Å; L249-Y787 HydrophobicContact CD2-CG 4.25Å; L249-Y787 HydrophobicContact CG-CD1 4.43Å; L249-I790 HydrophobicContact CD2-CG2 4.16Å
250	Y	92.4	Very high	81.8	Confident	33 Å²	33	49.8 Å²	49.8	13%	0.129	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-47.4	176.4	175.3	-92.1	0	0	0	112.8	L236 V237 T248 A252 I253 D254 A262 L265 R266 L269	L236-Y250 VanDerWaalsContact O-CB 3.27Å; L236-Y250 WeakPolarHBondContact O-CB 3.24Å; L236-Y250 PolarHBondContact O-N 3.35Å; V237-Y250 HydrophobicContact CG1-CD1 4.16Å; V237-Y250 HydrophobicContact CG1-CD2 3.88Å; V237-Y250 HydrophobicContact CG1-CG 3.61Å; T248-Y250 PolarHBondContact O-N 2.98Å; Y250-A252 VanDerWaalsContact C-N 3.29Å; Y250-A252 PolarHBondContact O-N 3.16Å; Y250-I253 PolarHBondContact O-N 3.11Å; Y250-D254 HydrophobicContact CE1-CB 4.25Å; Y250-D254 WeakPolarHBondContact CE1-OD2 3.2Å; Y250-D254 VanDerWaalsContact O-CB 3.25Å; Y250-D254 WeakPolarHBondContact O-CB 3.47Å; Y250-D254 PolarHBondContact O-N 3Å; Y250-D254 VanDerWaalsContact O-N 3.07Å; Y250-D254 PolarHBondContact OH-OD2 3.35Å; Y250-A262 WeakPolarHBondContact OH-CB 3.48Å; Y250-L265 HydrophobicContact CD2-CD2 4.35Å; Y250-L265 HydrophobicContact CD2-CG 4.35Å; Y250-L265 HydrophobicContact CE2-CD2 4.17Å; Y250-L265 HydrophobicContact CE2-CG 4.31Å; Y250-R266 HydrophobicContact CD2-CB 4.15Å; Y250-R266 HydrophobicContact CE2-CB 3.92Å; Y250-L269 HydrophobicContact CD2-CD1 4.06Å; Y250-L269 HydrophobicContact CG-CD1 4.45Å
251	S	89.7	Confident	83.1	Confident	30 Å²	30	46.9 Å²	46.9	21%	0.21	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-39.4	178.8	56.9	0	0	0	0	112.2	A245 T248 I253	A245-S251 WeakPolarHBondContact O-CB 3.2Å; A245-S251 PolarHBondContact O-OG 3.44Å; T248-S251 PolarHBondContact N-OG 3.48Å; T248-S251 PolarHBondContact O-N 2.95Å; T248-S251 PolarHBondContact O-OG 3.41Å; T248-S251 PolarHBondContact OG1-N 3.28Å; T248-S251 VanDerWaalsContact OG1-N 3.13Å; S251-I253 PolarHBondContact O-N 3.2Å
252	A	89	Confident	84.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-18.8	-177.6	0	0	0	0	0	114.7	T248 L249 Y250 Y721 I744 V745 E748	T248-A252 PolarHBondContact O-N 3.33Å; L249-A252 PolarHBondContact O-N 2.91Å; Y250-A252 VanDerWaalsContact C-N 3.29Å; Y250-A252 PolarHBondContact O-N 3.16Å; A252-Y721 PolarHBondContact O-OH 3.21Å; A252-Y721 VanDerWaalsContact O-OH 3.08Å; A252-I744 HydrophobicContact CB-CG1 4.46Å; A252-V745 HydrophobicContact CB-CG2 4.12Å; A252-E748 WeakPolarHBondContact CA-OE2 3.24Å; A252-E748 HydrophobicContact CB-CB 4.37Å; A252-E748 VanDerWaalsContact CB-OE2 3.26Å; A252-E748 WeakPolarHBondContact CB-OE2 3.43Å; A252-E748 PolarHBondContact N-OE2 3.14Å
253	I	91.9	Very high	85.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-124.4	-2.2	-174	76.9	178.1	0	0	0	114	L249 Y250 S251 F255 L265 L269 S713 M717 I744 L791 I794	L249-I253 HydrophobicContact CD1-CG2 4.17Å; L249-I253 HydrophobicContact CG-CD1 4.46Å; L249-I253 WeakPolarHBondContact O-CG1 3.29Å; L249-I253 PolarHBondContact O-N 3.41Å; Y250-I253 PolarHBondContact O-N 3.11Å; S251-I253 PolarHBondContact O-N 3.2Å; I253-F255 PolarHBondContact O-N 3.41Å; I253-L265 HydrophobicContact CD1-CD1 3.95Å; I253-L265 HydrophobicContact CG1-CD1 4.25Å; I253-L265 HydrophobicContact CG1-CD2 4.18Å; I253-L269 HydrophobicContact CD1-CD1 4.01Å; I253-L269 HydrophobicContact CD1-CD2 3.77Å; I253-L269 HydrophobicContact CD1-CG 4.25Å; I253-S713 PolarHBondContact O-OG 3.48Å; I253-M717 HydrophobicContact CB-SD 3.49Å; I253-M717 WeakPolarHBondContact CB-SD 3.49Å; I253-M717 HydrophobicContact CG2-SD 3.37Å; I253-M717 WeakPolarHBondContact CG2-SD 3.4Å; I253-I744 HydrophobicContact CG2-CD1 3.72Å; I253-I744 HydrophobicContact CG2-CG1 4.5Å; I253-L791 HydrophobicContact CD1-CD2 3.74Å; I253-L791 HydrophobicContact CG2-CD2 4.26Å; I253-I794 HydrophobicContact CD1-CD1 4.36Å
254	D	92.7	Very high	86.9	Confident	52 Å²	52	37.1 Å²	37.1	28%	0.278	20%	0.202	S	C	.	.			trans	-79.5	88.5	-178.4	-172.1	13.9	0	0	0	111.4	Y250 T256 L265	Y250-D254 HydrophobicContact CE1-CB 4.25Å; Y250-D254 WeakPolarHBondContact CE1-OD2 3.2Å; Y250-D254 VanDerWaalsContact O-CB 3.25Å; Y250-D254 WeakPolarHBondContact O-CB 3.47Å; Y250-D254 PolarHBondContact O-N 3Å; Y250-D254 VanDerWaalsContact O-N 3.07Å; Y250-D254 PolarHBondContact OH-OD2 3.35Å; D254-T256 WeakPolarHBondContact OD1-CB 3.48Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.34Å; D254-T256 PolarHBondContact OD1-N 3.35Å; D254-T256 PolarHBondContact OD1-OG1 2.91Å; D254-L265 HydrophobicContact CB-CD2 3.98Å
255	F	94.2	Very high	88.3	Confident	57 Å²	57	35.4 Å²	35.4	25%	0.25	19%	0.19	C	C	.	.			trans	-104.1	20	168.5	-65.2	-90.7	0	0	0	111.6	I253 S713 K716 M717 T720 Y721	I253-F255 PolarHBondContact O-N 3.41Å; F255-S713 WeakPolarHBondContact CA-OG 3.45Å; F255-S713 WeakPolarHBondContact CB-OG 3.32Å; F255-S713 PolarHBondContact N-OG 2.92Å; F255-K716 HydrophobicContact CB-CB 4.18Å; F255-K716 HydrophobicContact CB-CG 4.07Å; F255-K716 HydrophobicContact CD1-CG 3.93Å; F255-K716 HydrophobicContact CG-CG 4.12Å; F255-M717 HydrophobicContact CD2-CB 3.73Å; F255-M717 HydrophobicContact CD2-CG 4.37Å; F255-M717 HydrophobicContact CE2-CB 3.84Å; F255-M717 HydrophobicContact CE2-CG 4.05Å; F255-T720 HydrophobicContact CE1-CG2 4.13Å; F255-T720 HydrophobicContact CZ-CG2 4.14Å; F255-Y721 HydrophobicContact CE2-CE2 4.07Å; F255-Y721 HydrophobicContact CZ-CE2 4.21Å
256	T	95	Very high	89.6	Confident	25 Å²	25	35.3 Å²	35.3	15%	0.153	18%	0.18	C	C	.	.			trans	-70.8	142.6	-178.5	66.5	0	0	0	0	110.8	D254 A262 L265 S713	D254-T256 WeakPolarHBondContact OD1-CB 3.48Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.34Å; D254-T256 PolarHBondContact OD1-N 3.35Å; D254-T256 PolarHBondContact OD1-OG1 2.91Å; T256-A262 VanDerWaalsContact OG1-CA 3.31Å; T256-A262 WeakPolarHBondContact OG1-CA 3.4Å; T256-A262 VanDerWaalsContact OG1-CB 3.32Å; T256-A262 WeakPolarHBondContact OG1-CB 3.44Å; T256-A262 PolarHBondContact OG1-N 3.4Å; T256-L265 HydrophobicContact CG2-CB 4.35Å; T256-L265 HydrophobicContact CG2-CD2 4.09Å; T256-S713 PolarHBondContact N-OG 3.26Å
257	S	94	Very high	90.3	Very high	31 Å²	31	29.8 Å²	29.8	22%	0.217	16%	0.161	C	C	.	.	S	Bend	trans	-95.8	-17.8	-179.2	-62	0	0	0	0	112.6	D709	S257-D709 PolarHBondContact N-OD1 3.23Å; S257-D709 PolarHBondContact N-OD2 3.21Å; S257-D709 VanDerWaalsContact N-OD2 3.14Å
258	T	91.9	Very high	90.9	Very high	14 Å²	14	27.2 Å²	27.2	9%	0.086	15%	0.147	C	C	.	.	S	Bend	trans	-121.4	146.6	-176.4	74.1	0	0	0	0	111.3	S260 G261 A262 L303 V705 D709	T258-S260 PolarHBondContact O-N 3.45Å; T258-S260 PolarHBondContact OG1-OG 2.75Å; T258-S260 VanDerWaalsContact OG1-OG 3.09Å; T258-G261 PolarHBondContact O-N 2.94Å; T258-G261 VanDerWaalsContact O-N 3.16Å; T258-G261 PolarHBondContact OG1-N 3.31Å; T258-A262 PolarHBondContact O-N 2.81Å; T258-L303 HydrophobicContact CG2-CB 4.25Å; T258-L303 HydrophobicContact CG2-CD2 4.39Å; T258-V705 HydrophobicContact CG2-CG1 3.95Å; T258-D709 WeakPolarHBondContact CA-OD2 3.39Å; T258-D709 VanDerWaalsContact CB-OD2 3.29Å; T258-D709 WeakPolarHBondContact CB-OD2 3.3Å; T258-D709 PolarHBondContact N-OD2 3.4Å; T258-D709 PolarHBondContact OG1-OD2 3.46Å
259	A	86	Confident	91.1	Very high	41 Å²	41	27.2 Å²	27.2	34%	0.339	15%	0.147	S	C	.	.	H	α-helix	trans	-63.7	-28.4	176.3	0	0	0	0	0	113.1	R263 H308	A259-R263 WeakPolarHBondContact O-CB 3.43Å; A259-R263 PolarHBondContact O-N 2.85Å; A259-H308 VanDerWaalsContact CB-CE1 3.4Å; A259-H308 WeakPolarHBondContact CB-CE1 3.34Å; A259-H308 WeakPolarHBondContact CB-ND1 3.48Å
260	S	85.2	Confident	91	Very high	18 Å²	18	27.4 Å²	27.4	13%	0.126	15%	0.149	C	C	.	.	H	α-helix	trans	-69.3	-40.1	174.6	45.1	0	0	0	0	111.7	T258 R263 L264	T258-S260 PolarHBondContact O-N 3.45Å; T258-S260 PolarHBondContact OG1-OG 2.75Å; T258-S260 VanDerWaalsContact OG1-OG 3.09Å; S260-R263 PolarHBondContact O-N 3.17Å; S260-L264 WeakPolarHBondContact O-CB 3.37Å; S260-L264 PolarHBondContact O-N 2.82Å
261	G	91.1	Very high	90.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-49	171.9	0	0	0	0	0	111.8	T258 R263 L264 L265	T258-G261 PolarHBondContact O-N 2.94Å; T258-G261 VanDerWaalsContact O-N 3.16Å; T258-G261 PolarHBondContact OG1-N 3.31Å; G261-R263 VanDerWaalsContact C-N 3.32Å; G261-R263 PolarHBondContact O-N 3.42Å; G261-L264 CarbonylContact O-C 3.56Å; G261-L264 WeakPolarHBondContact O-CB 3.48Å; G261-L264 PolarHBondContact O-N 3.31Å; G261-L264 VanDerWaalsContact O-N 3.11Å; G261-L265 PolarHBondContact O-N 2.94Å
262	A	90.6	Very high	91.1	Very high	15 Å²	15	26.4 Å²	26.4	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-54.3	-45.6	174.5	0	0	0	0	0	112.6	Y250 T256 T258 L265 R266	Y250-A262 WeakPolarHBondContact OH-CB 3.48Å; T256-A262 VanDerWaalsContact OG1-CA 3.31Å; T256-A262 WeakPolarHBondContact OG1-CA 3.4Å; T256-A262 VanDerWaalsContact OG1-CB 3.32Å; T256-A262 WeakPolarHBondContact OG1-CB 3.44Å; T256-A262 PolarHBondContact OG1-N 3.4Å; T258-A262 PolarHBondContact O-N 2.81Å; A262-L265 PolarHBondContact O-N 3.47Å; A262-R266 PolarHBondContact O-N 3.15Å
263	R	86.7	Confident	91.3	Very high	120 Å²	120	27.1 Å²	27.1	45%	0.453	15%	0.146	S	C	.	.	H	α-helix	trans	-64	-42.6	177.2	-170.3	-173	-63.3	146.4	-1.5	111.3	A259 S260 G261 R266 A267 D310	A259-R263 WeakPolarHBondContact O-CB 3.43Å; A259-R263 PolarHBondContact O-N 2.85Å; S260-R263 PolarHBondContact O-N 3.17Å; G261-R263 VanDerWaalsContact C-N 3.32Å; G261-R263 PolarHBondContact O-N 3.42Å; R263-R266 PolarHBondContact O-N 3.27Å; R263-A267 PolarHBondContact O-N 3.03Å; R263-D310 IonicContact CZ-OD2 3.75Å; R263-D310 IonicContact NH1-OD2 3.93Å; R263-D310 PolarHBondContact NH1-OD2 3.36Å; R263-D310 IonicContact NH2-OD2 2.7Å
264	L	90.8	Very high	91.3	Very high	56 Å²	56	28.6 Å²	28.6	29%	0.293	16%	0.156	S	C	.	.	H	α-helix	trans	-65.5	-40	177.2	-176.6	61.5	0	0	0	111.5	S260 G261 A267 N268 A706 L710	S260-L264 WeakPolarHBondContact O-CB 3.37Å; S260-L264 PolarHBondContact O-N 2.82Å; G261-L264 CarbonylContact O-C 3.56Å; G261-L264 WeakPolarHBondContact O-CB 3.48Å; G261-L264 PolarHBondContact O-N 3.31Å; G261-L264 VanDerWaalsContact O-N 3.11Å; L264-A267 WeakPolarHBondContact O-CB 3.3Å; L264-A267 PolarHBondContact O-N 3.07Å; L264-N268 PolarHBondContact O-N 3.48Å; L264-N268 PolarHBondContact O-ND2 2.97Å; L264-A706 HydrophobicContact CD2-CB 4.11Å; L264-L710 HydrophobicContact CD2-CB 4.19Å; L264-L710 HydrophobicContact CD2-CD2 3.99Å; L264-L710 HydrophobicContact CG-CD2 4.12Å
265	L	94.1	Very high	91.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-50.4	174.2	174.7	60.8	0	0	0	111.1	Y250 I253 D254 T256 G261 A262 A267 N268 L269 L710 F714	Y250-L265 HydrophobicContact CD2-CD2 4.35Å; Y250-L265 HydrophobicContact CD2-CG 4.35Å; Y250-L265 HydrophobicContact CE2-CD2 4.17Å; Y250-L265 HydrophobicContact CE2-CG 4.31Å; I253-L265 HydrophobicContact CD1-CD1 3.95Å; I253-L265 HydrophobicContact CG1-CD1 4.25Å; I253-L265 HydrophobicContact CG1-CD2 4.18Å; D254-L265 HydrophobicContact CB-CD2 3.98Å; T256-L265 HydrophobicContact CG2-CB 4.35Å; T256-L265 HydrophobicContact CG2-CD2 4.09Å; G261-L265 PolarHBondContact O-N 2.94Å; A262-L265 PolarHBondContact O-N 3.47Å; L265-A267 VanDerWaalsContact C-N 3.26Å; L265-A267 PolarHBondContact O-N 3.31Å; L265-N268 PolarHBondContact O-N 2.71Å; L265-N268 VanDerWaalsContact O-N 3.14Å; L265-L269 HydrophobicContact CD1-CG 4.46Å; L265-L269 PolarHBondContact O-N 3.04Å; L265-L710 HydrophobicContact CB-CD1 3.71Å; L265-L710 HydrophobicContact CD1-CD1 3.81Å; L265-L710 HydrophobicContact CG-CD1 4.37Å; L265-F714 HydrophobicContact CD1-CE1 3.69Å; L265-F714 HydrophobicContact CD1-CZ 4.2Å
266	R	91.7	Very high	91.2	Very high	40 Å²	40	28.4 Å²	28.4	15%	0.151	16%	0.158	C	C	.	.	H	α-helix	trans	-54.9	-43	174.9	170.7	169.7	-179.3	106.2	13.7	111.8	L115 C118 V237 Y250 A262 R263 L269 L270	L115-R266 PolarHBondContact O-NH2 3.42Å; C118-R266 PolarHBondContact SG-NH2 3.26Å; V237-R266 HydrophobicContact CG1-CB 4.44Å; V237-R266 HydrophobicContact CG1-CG 3.87Å; V237-R266 HydrophobicContact CG2-CG 4.37Å; Y250-R266 HydrophobicContact CD2-CB 4.15Å; Y250-R266 HydrophobicContact CE2-CB 3.92Å; A262-R266 PolarHBondContact O-N 3.15Å; R263-R266 PolarHBondContact O-N 3.27Å; R266-L269 PolarHBondContact O-N 3.39Å; R266-L270 HydrophobicContact CG-CD1 4.32Å; R266-L270 PolarHBondContact O-N 3.13Å
267	A	88.5	Confident	91.2	Very high	26 Å²	26	33.9 Å²	33.9	22%	0.215	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-45.4	177.5	0	0	0	0	0	112.2	L116 R263 L264 L265 L269 L270 E271	L116-A267 VanDerWaalsContact CD1-CA 3.44Å; L116-A267 HydrophobicContact CD1-CB 3.48Å; L116-A267 VanDerWaalsContact CD1-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.03Å; L264-A267 WeakPolarHBondContact O-CB 3.3Å; L264-A267 PolarHBondContact O-N 3.07Å; L265-A267 VanDerWaalsContact C-N 3.26Å; L265-A267 PolarHBondContact O-N 3.31Å; A267-L269 VanDerWaalsContact C-N 3.31Å; A267-L269 PolarHBondContact O-N 2.7Å; A267-L270 PolarHBondContact O-N 2.96Å; A267-E271 PolarHBondContact O-N 2.7Å
268	N	92.6	Very high	91.1	Very high	12 Å²	12	35 Å²	35	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-67.4	-28.9	178.6	-76.6	-83.3	0	0	0	112.9	L264 L265 E271 P272 R282 I794	L264-N268 PolarHBondContact O-N 3.48Å; L264-N268 PolarHBondContact O-ND2 2.97Å; L265-N268 PolarHBondContact O-N 2.71Å; L265-N268 VanDerWaalsContact O-N 3.14Å; N268-E271 CarbonylContact O-C 3.57Å; N268-P272 WeakPolarHBondContact O-CA 3.31Å; N268-P272 WeakPolarHBondContact O-CD 3.38Å; N268-P272 WeakPolarHBondContact O-CG 3.42Å; N268-P272 VanDerWaalsContact O-N 3.07Å; N268-R282 PolarHBondContact OD1-NH1 3.1Å; N268-R282 PolarHBondContact OD1-NH2 3.3Å; N268-I794 HydrophobicContact CB-CB 4.31Å; N268-I794 HydrophobicContact CB-CG2 3.92Å; N268-I794 WeakPolarHBondContact O-CG2 3.47Å
269	L	93.2	Very high	91.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.5	-36.8	175.1	-76	179.6	0	0	0	113.2	L249 Y250 I253 L265 R266 A267 I790 I794	L249-L269 HydrophobicContact CD2-CD2 3.82Å; L249-L269 HydrophobicContact CG-CD2 4.24Å; Y250-L269 HydrophobicContact CD2-CD1 4.06Å; Y250-L269 HydrophobicContact CG-CD1 4.45Å; I253-L269 HydrophobicContact CD1-CD1 4.01Å; I253-L269 HydrophobicContact CD1-CD2 3.77Å; I253-L269 HydrophobicContact CD1-CG 4.25Å; L265-L269 HydrophobicContact CD1-CG 4.46Å; L265-L269 PolarHBondContact O-N 3.04Å; R266-L269 PolarHBondContact O-N 3.39Å; A267-L269 VanDerWaalsContact C-N 3.31Å; A267-L269 PolarHBondContact O-N 2.7Å; L269-I790 HydrophobicContact CD2-CG2 3.71Å; L269-I794 HydrophobicContact CD2-CD1 4.12Å
270	L	90.3	Very high	91.8	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-84.2	-33.2	-179.2	-68.6	173.1	0	0	0	112.7	L115 A231 V237 R266 A267	L115-L270 HydrophobicContact CB-CD1 4.02Å; A231-L270 HydrophobicContact CB-CD2 4.17Å; V237-L270 HydrophobicContact CG2-CD1 4.19Å; V237-L270 HydrophobicContact CG2-CD2 3.79Å; V237-L270 HydrophobicContact CG2-CG 3.84Å; R266-L270 HydrophobicContact CG-CD1 4.32Å; R266-L270 PolarHBondContact O-N 3.13Å; A267-L270 PolarHBondContact O-N 2.96Å
271	E	89.7	Confident	92.4	Very high	42 Å²	42	37.7 Å²	37.7	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	-129.4	70.7	176.3	-65.4	-176.7	172.5	0	0	110.1	V112 K113 A267 N268	V112-E271 HydrophobicContact CG1-CG 3.98Å; K113-E271 WeakPolarHBondContact CD-OE1 3.46Å; K113-E271 WeakPolarHBondContact CE-OE1 3.1Å; K113-E271 IonicContact NZ-OE1 2.62Å; K113-E271 PolarHBondContact NZ-OE1 3.19Å; K113-E271 IonicContact NZ-OE2 3.59Å; K113-E271 PolarHBondContact NZ-OE2 3.17Å; A267-E271 PolarHBondContact O-N 2.7Å; N268-E271 CarbonylContact O-C 3.57Å
272	P	94.7	Very high	92.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.			trans	-56.4	143.5	176.5	-22.4	32.1	0	0	0	111.1	S223 T224 I226 N268 I790 Q793 I794	S223-P272 CarbonylContact C-O 3.48Å; S223-P272 WeakPolarHBondContact CA-O 3.44Å; S223-P272 WeakPolarHBondContact CB-O 3.45Å; T224-P272 PolarHBondContact N-O 3.03Å; I226-P272 HydrophobicContact CD1-CG 4.06Å; N268-P272 WeakPolarHBondContact O-CA 3.31Å; N268-P272 WeakPolarHBondContact O-CD 3.38Å; N268-P272 WeakPolarHBondContact O-CG 3.42Å; N268-P272 VanDerWaalsContact O-N 3.07Å; P272-I790 HydrophobicContact CG-CG2 4.21Å; P272-Q793 HydrophobicContact CB-CB 3.95Å; P272-I794 HydrophobicContact CB-CG2 4.04Å; P272-I794 HydrophobicContact CG-CG2 4.38Å
273	P	92.8	Very high	93	Very high	15 Å²	15	39 Å²	39	10%	0.097	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-68.6	142.1	178.7	27.1	-31.7	0	0	0	111.6	T278 I279 Q793	P273-T278 HydrophobicContact CB-CG2 4.44Å; P273-I279 HydrophobicContact CG-CG1 4.1Å; P273-Q793 VanDerWaalsContact CD-O 3.3Å; P273-Q793 WeakPolarHBondContact CD-O 3.34Å; P273-Q793 WeakPolarHBondContact CG-O 3.3Å
274	C	91.1	Very high	93.5	Very high	32 Å²	32	34.9 Å²	34.9	22%	0.216	19%	0.187	C	C	.	.			trans	-102.9	27.2	171.3	-80	0	0	0	0	112	K222 T224 T808	K222-C274 PolarHBondContact O-N 2.86Å; T224-C274 WeakPolarHBondContact CA-SG 3.26Å; T224-C274 PolarHBondContact N-SG 3.43Å; T224-C274 PolarHBondContact OG1-SG 3.48Å; C274-T808 PolarHBondContact SG-O 3.19Å
275	D	91.7	Very high	93.8	Very high	31 Å²	31	32.2 Å²	32.2	17%	0.166	17%	0.173	C	C	.	.			trans	-117.9	106.7	-176	-176.1	81.4	0	0	0	109.7	K222 E277 T278 I279	K222-D275 HydrophobicContact CD-CB 4.24Å; K222-D275 IonicContact NZ-OD1 3.58Å; K222-D275 PolarHBondContact NZ-OD1 3.06Å; D275-E277 VanDerWaalsContact C-N 3.28Å; D275-E277 PolarHBondContact O-N 3.39Å; D275-T278 WeakPolarHBondContact O-CB 3.43Å; D275-T278 PolarHBondContact O-N 3.2Å; D275-T278 VanDerWaalsContact O-N 3.14Å; D275-T278 WeakPolarHBondContact OD2-CB 3.45Å; D275-T278 PolarHBondContact OD2-N 3.38Å; D275-T278 PolarHBondContact OD2-OG1 2.88Å; D275-I279 VanDerWaalsContact O-CG1 3.3Å; D275-I279 WeakPolarHBondContact O-CG1 3.11Å; D275-I279 PolarHBondContact O-N 2.99Å; D275-I279 VanDerWaalsContact O-N 3.1Å
276	L	93.9	Very high	93.9	Very high	74 Å²	74	32.2 Å²	32.2	39%	0.387	17%	0.173	S	C	.	.	H	α-helix	trans	-58.5	-39.9	-171.3	-177.6	61.9	0	0	0	112.3	T278 I279 L280 F732	L276-T278 PolarHBondContact O-N 2.71Å; L276-I279 PolarHBondContact O-N 3.36Å; L276-L280 HydrophobicContact CD1-CD1 4.08Å; L276-L280 HydrophobicContact CD1-CD2 4.29Å; L276-L280 HydrophobicContact CD1-CG 3.91Å; L276-L280 HydrophobicContact CD2-CD1 4.34Å; L276-L280 HydrophobicContact CG-CD1 3.81Å; L276-L280 HydrophobicContact CG-CG 4.08Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.49Å; L276-L280 PolarHBondContact O-N 3.2Å; L276-F732 HydrophobicContact CD1-CB 3.69Å; L276-F732 HydrophobicContact CD1-CD1 4.23Å; L276-F732 HydrophobicContact CD1-CD2 3.76Å; L276-F732 HydrophobicContact CD1-CE2 4.5Å; L276-F732 HydrophobicContact CD1-CG 3.6Å
277	E	93.9	Very high	94.2	Very high	140 Å²	140	36.3 Å²	36.3	65%	0.654	19%	0.188	S	C	*	.	H	α-helix	trans	-61.1	-45.9	177.9	-177.5	176.9	-177.1	0	0	111.8	D275 I279 L280 N281	D275-E277 VanDerWaalsContact C-N 3.28Å; D275-E277 PolarHBondContact O-N 3.39Å; E277-I279 VanDerWaalsContact C-N 3.29Å; E277-I279 PolarHBondContact O-N 2.92Å; E277-L280 PolarHBondContact O-N 3.15Å; E277-N281 WeakPolarHBondContact O-CB 3.29Å; E277-N281 PolarHBondContact O-N 3.34Å; E277-N281 PolarHBondContact O-ND2 2.89Å
278	T	93.3	Very high	94.6	Very high	54 Å²	54	36.7 Å²	36.7	33%	0.331	19%	0.186	S	C	.	.	H	α-helix	trans	-57.3	-43.7	174.4	-61.2	0	0	0	0	111.5	P273 D275 L276 R282	P273-T278 HydrophobicContact CB-CG2 4.44Å; D275-T278 WeakPolarHBondContact O-CB 3.43Å; D275-T278 PolarHBondContact O-N 3.2Å; D275-T278 VanDerWaalsContact O-N 3.14Å; D275-T278 WeakPolarHBondContact OD2-CB 3.45Å; D275-T278 PolarHBondContact OD2-N 3.38Å; D275-T278 PolarHBondContact OD2-OG1 2.88Å; L276-T278 PolarHBondContact O-N 2.71Å; T278-R282 WeakPolarHBondContact O-CG 3.43Å; T278-R282 PolarHBondContact O-N 2.91Å
279	I	96	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-48.8	-178.2	-58.8	168.5	0	0	0	111	P273 D275 L276 E277 N281 R282 Q283 F732 A792 Q793 L807	P273-I279 HydrophobicContact CG-CG1 4.1Å; D275-I279 VanDerWaalsContact O-CG1 3.3Å; D275-I279 WeakPolarHBondContact O-CG1 3.11Å; D275-I279 PolarHBondContact O-N 2.99Å; D275-I279 VanDerWaalsContact O-N 3.1Å; L276-I279 PolarHBondContact O-N 3.36Å; E277-I279 VanDerWaalsContact C-N 3.29Å; E277-I279 PolarHBondContact O-N 2.92Å; I279-N281 PolarHBondContact O-N 3.06Å; I279-R282 WeakPolarHBondContact O-CB 3.2Å; I279-R282 PolarHBondContact O-N 3.28Å; I279-Q283 HydrophobicContact CG2-CG 4.45Å; I279-Q283 WeakPolarHBondContact O-CG 3.46Å; I279-Q283 PolarHBondContact O-N 3.22Å; I279-F732 HydrophobicContact CB-CE2 4.48Å; I279-F732 HydrophobicContact CD1-CE1 4.26Å; I279-F732 HydrophobicContact CD1-CZ 4.05Å; I279-F732 HydrophobicContact CG2-CE2 3.49Å; I279-F732 VanDerWaalsContact CG2-CE2 3.49Å; I279-F732 HydrophobicContact CG2-CZ 3.62Å; I279-A792 WeakPolarHBondContact CG2-O 3.34Å; I279-Q793 VanDerWaalsContact CG1-O 3.31Å; I279-Q793 WeakPolarHBondContact CG1-O 3.48Å; I279-L807 HydrophobicContact CD1-CD1 3.65Å
280	L	97	Very high	94.8	Very high	80 Å²	80	37.8 Å²	37.8	42%	0.419	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-40.3	-178.7	-68.9	178	0	0	0	111.8	L276 E277 R282 Q283 A284	L276-L280 HydrophobicContact CD1-CD1 4.08Å; L276-L280 HydrophobicContact CD1-CD2 4.29Å; L276-L280 HydrophobicContact CD1-CG 3.91Å; L276-L280 HydrophobicContact CD2-CD1 4.34Å; L276-L280 HydrophobicContact CG-CD1 3.81Å; L276-L280 HydrophobicContact CG-CG 4.08Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 VanDerWaalsContact O-CG 3.28Å; L276-L280 WeakPolarHBondContact O-CG 3.49Å; L276-L280 PolarHBondContact O-N 3.2Å; E277-L280 PolarHBondContact O-N 3.15Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.17Å; L280-Q283 PolarHBondContact O-N 3.36Å; L280-A284 WeakPolarHBondContact O-CB 3.31Å; L280-A284 PolarHBondContact O-N 3.32Å
281	N	96.8	Very high	95	Very high	50 Å²	50	42.2 Å²	42.2	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-40.9	175	-79.7	-43.8	0	0	0	111.6	E277 I279 S285 T454	E277-N281 WeakPolarHBondContact O-CB 3.29Å; E277-N281 PolarHBondContact O-N 3.34Å; E277-N281 PolarHBondContact O-ND2 2.89Å; I279-N281 PolarHBondContact O-N 3.06Å; N281-S285 PolarHBondContact O-N 3.28Å; N281-S285 VanDerWaalsContact O-N 3.17Å; N281-S285 PolarHBondContact O-OG 3.4Å; N281-T454 PolarHBondContact OD1-OG1 3.44Å
282	R	96.9	Very high	95.2	Very high	36 Å²	36	42 Å²	42	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-47	173.5	-71.2	179.8	177.7	179.1	1.2	111.7	N268 T278 I279 L280 A284 S285 V286 L455 L711 I794	N268-R282 PolarHBondContact OD1-NH1 3.1Å; N268-R282 PolarHBondContact OD1-NH2 3.3Å; T278-R282 WeakPolarHBondContact O-CG 3.43Å; T278-R282 PolarHBondContact O-N 2.91Å; I279-R282 WeakPolarHBondContact O-CB 3.2Å; I279-R282 PolarHBondContact O-N 3.28Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.17Å; R282-A284 VanDerWaalsContact C-N 3.31Å; R282-A284 PolarHBondContact O-N 3.46Å; R282-S285 PolarHBondContact O-N 2.98Å; R282-V286 WeakPolarHBondContact O-CG2 3.28Å; R282-V286 PolarHBondContact O-N 3.31Å; R282-L455 HydrophobicContact CG-CD2 4.08Å; R282-L711 HydrophobicContact CB-CD2 3.97Å; R282-L711 HydrophobicContact CG-CD2 4.02Å; R282-I794 VanDerWaalsContact CD-O 3.22Å; R282-I794 WeakPolarHBondContact CD-O 3.28Å; R282-I794 PolarHBondContact NH1-O 3.1Å
283	Q	97.1	Very high	95	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-41.1	178.8	-73.6	-178.1	-22.1	0	0	112.3	I279 L280 V286 R287 P730	I279-Q283 HydrophobicContact CG2-CG 4.45Å; I279-Q283 WeakPolarHBondContact O-CG 3.46Å; I279-Q283 PolarHBondContact O-N 3.22Å; L280-Q283 PolarHBondContact O-N 3.36Å; Q283-V286 PolarHBondContact O-N 2.88Å; Q283-R287 WeakPolarHBondContact O-CB 3.46Å; Q283-R287 PolarHBondContact O-N 2.89Å; Q283-P730 PolarHBondContact NE2-O 3.17Å
284	A	97.4	Very high	95.1	Very high	33 Å²	33	52.1 Å²	52.1	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-60.8	-47.3	176.4	0	0	0	0	0	111	L280 R282 R287 E288 T453	L280-A284 WeakPolarHBondContact O-CB 3.31Å; L280-A284 PolarHBondContact O-N 3.32Å; R282-A284 VanDerWaalsContact C-N 3.31Å; R282-A284 PolarHBondContact O-N 3.46Å; A284-R287 WeakPolarHBondContact O-CB 3.41Å; A284-R287 PolarHBondContact O-N 3.3Å; A284-E288 PolarHBondContact O-N 3.08Å; A284-T453 HydrophobicContact CB-CG2 3.93Å; A284-T453 WeakPolarHBondContact O-CG2 3.36Å
285	S	97.7	Very high	95.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-39.3	177.1	-64.8	0	0	0	0	113.6	N281 R282 E288 L289 T453 L455	N281-S285 PolarHBondContact O-N 3.28Å; N281-S285 VanDerWaalsContact O-N 3.17Å; N281-S285 PolarHBondContact O-OG 3.4Å; R282-S285 PolarHBondContact O-N 2.98Å; S285-E288 PolarHBondContact O-N 3.43Å; S285-L289 WeakPolarHBondContact O-CG 3.39Å; S285-L289 PolarHBondContact O-N 3.32Å; S285-T453 PolarHBondContact OG-OG1 3.05Å; S285-L455 WeakPolarHBondContact OG-CB 3.42Å
286	V	96.9	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-44.2	174.2	172.3	0	0	0	0	110.6	R282 Q283 E288 L289 I290 L711 F714 A715 F797	R282-V286 WeakPolarHBondContact O-CG2 3.28Å; R282-V286 PolarHBondContact O-N 3.31Å; Q283-V286 PolarHBondContact O-N 2.88Å; V286-E288 VanDerWaalsContact C-N 3.33Å; V286-E288 PolarHBondContact O-N 3.22Å; V286-L289 PolarHBondContact O-N 3.1Å; V286-I290 HydrophobicContact CG1-CD1 3.7Å; V286-I290 HydrophobicContact CG1-CG1 4.35Å; V286-I290 VanDerWaalsContact O-CG1 3.26Å; V286-I290 WeakPolarHBondContact O-CG1 3.4Å; V286-I290 PolarHBondContact O-N 3.24Å; V286-L711 HydrophobicContact CG2-CD2 3.97Å; V286-F714 HydrophobicContact CG1-CB 4.14Å; V286-F714 HydrophobicContact CG2-CB 3.72Å; V286-F714 HydrophobicContact CG2-CD2 4.03Å; V286-F714 HydrophobicContact CG2-CG 4.41Å; V286-A715 HydrophobicContact CG1-CB 4.34Å; V286-F797 HydrophobicContact CB-CE1 4.3Å; V286-F797 HydrophobicContact CG1-CD1 3.86Å; V286-F797 HydrophobicContact CG1-CE1 3.94Å
287	R	96.4	Very high	95.5	Very high	126 Å²	126	52.7 Å²	52.7	48%	0.475	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-47.2	175.6	-172.1	-178.8	-61	154.8	1.9	111.4	Q283 A284 I290 S291 C729 F797	Q283-R287 WeakPolarHBondContact O-CB 3.46Å; Q283-R287 PolarHBondContact O-N 2.89Å; A284-R287 WeakPolarHBondContact O-CB 3.41Å; A284-R287 PolarHBondContact O-N 3.3Å; R287-I290 PolarHBondContact O-N 3.43Å; R287-S291 PolarHBondContact O-N 3.02Å; R287-S291 PolarHBondContact O-OG 3.19Å; R287-S291 VanDerWaalsContact O-OG 3.13Å; R287-C729 PolarHBondContact NH2-SG 2.89Å; R287-F797 HydrophobicContact CB-CE1 4.25Å; R287-F797 HydrophobicContact CB-CZ 3.77Å; R287-F797 HydrophobicContact CG-CZ 4.12Å
288	E	96.7	Very high	95.6	Very high	33 Å²	33	49.6 Å²	49.6	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-48	177.3	176.1	167.2	-148.3	0	0	111.9	A284 S285 V286 I290 S291 S292 V451 K452 T453 L456	A284-E288 PolarHBondContact O-N 3.08Å; S285-E288 PolarHBondContact O-N 3.43Å; V286-E288 VanDerWaalsContact C-N 3.33Å; V286-E288 PolarHBondContact O-N 3.22Å; E288-I290 VanDerWaalsContact C-N 3.33Å; E288-I290 PolarHBondContact O-N 3.48Å; E288-S291 WeakPolarHBondContact O-CB 3.37Å; E288-S291 PolarHBondContact O-N 3.26Å; E288-S291 VanDerWaalsContact O-N 3.16Å; E288-S292 PolarHBondContact O-N 3.13Å; E288-S292 VanDerWaalsContact O-N 3.16Å; E288-S292 PolarHBondContact O-OG 2.7Å; E288-V451 WeakPolarHBondContact OE1-CA 3.49Å; E288-K452 PolarHBondContact OE1-N 3Å; E288-K452 PolarHBondContact OE2-N 3.45Å; E288-T453 HydrophobicContact CB-CG2 3.88Å; E288-T453 WeakPolarHBondContact OE2-CB 3.29Å; E288-T453 WeakPolarHBondContact OE2-CG2 3.37Å; E288-T453 PolarHBondContact OE2-N 3.46Å; E288-T453 PolarHBondContact OE2-OG1 3.26Å; E288-L456 HydrophobicContact CG-CD1 4.32Å
289	L	96.3	Very high	95.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-35.1	178.4	-69.3	173.6	0	0	0	113.1	S285 V286 S292 T295 I299 L456 L711 A715	S285-L289 WeakPolarHBondContact O-CG 3.39Å; S285-L289 PolarHBondContact O-N 3.32Å; V286-L289 PolarHBondContact O-N 3.1Å; L289-S292 CarbonylContact O-C 3.53Å; L289-S292 PolarHBondContact O-N 2.71Å; L289-T295 HydrophobicContact CD2-CG2 4.47Å; L289-I299 HydrophobicContact CD2-CD1 3.85Å; L289-L456 HydrophobicContact CD2-CD1 4.14Å; L289-L456 HydrophobicContact CG-CD1 4.05Å; L289-L711 HydrophobicContact CD1-CB 4.07Å; L289-A715 HydrophobicContact CB-CB 3.64Å; L289-A715 HydrophobicContact CD1-CB 4.36Å
290	I	94	Very high	95.8	Very high	34 Å²	34	47.5 Å²	47.5	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-40.6	174.2	-69.2	167.2	0	0	0	110.6	V286 R287 E288 S292 A715 L719 F797	V286-I290 HydrophobicContact CG1-CD1 3.7Å; V286-I290 HydrophobicContact CG1-CG1 4.35Å; V286-I290 VanDerWaalsContact O-CG1 3.26Å; V286-I290 WeakPolarHBondContact O-CG1 3.4Å; V286-I290 PolarHBondContact O-N 3.24Å; R287-I290 PolarHBondContact O-N 3.43Å; E288-I290 VanDerWaalsContact C-N 3.33Å; E288-I290 PolarHBondContact O-N 3.48Å; I290-S292 PolarHBondContact O-N 2.95Å; I290-A715 HydrophobicContact CG1-CB 3.88Å; I290-L719 HydrophobicContact CG1-CG 4.49Å; I290-L719 HydrophobicContact CG2-CD2 4.01Å; I290-L719 HydrophobicContact CG2-CG 4.39Å; I290-F797 HydrophobicContact CD1-CD2 3.83Å; I290-F797 HydrophobicContact CD1-CE1 4.43Å; I290-F797 HydrophobicContact CD1-CE2 3.73Å; I290-F797 HydrophobicContact CD1-CG 4.23Å; I290-F797 HydrophobicContact CD1-CZ 4.04Å
291	S	93.8	Very high	95.7	Very high	99 Å²	99	46.3 Å²	46.3	69%	0.692	24%	0.243	S	C	*	.	H	α-helix	trans	-67.2	-20.6	176.9	-61.7	0	0	0	0	113.5	R287 E288	R287-S291 PolarHBondContact O-N 3.02Å; R287-S291 PolarHBondContact O-OG 3.19Å; R287-S291 VanDerWaalsContact O-OG 3.13Å; E288-S291 WeakPolarHBondContact O-CB 3.37Å; E288-S291 PolarHBondContact O-N 3.26Å; E288-S291 VanDerWaalsContact O-N 3.16Å
292	S	93.9	Very high	95.7	Very high	36 Å²	36	45.1 Å²	45.1	25%	0.252	24%	0.237	S	C	.	.			trans	-124.6	75	177.7	62.5	0	0	0	0	112.8	E288 L289 I290 E294 T295 L296	E288-S292 PolarHBondContact O-N 3.13Å; E288-S292 VanDerWaalsContact O-N 3.16Å; E288-S292 PolarHBondContact O-OG 2.7Å; L289-S292 CarbonylContact O-C 3.53Å; L289-S292 PolarHBondContact O-N 2.71Å; I290-S292 PolarHBondContact O-N 2.95Å; S292-E294 PolarHBondContact O-N 3.33Å; S292-T295 WeakPolarHBondContact O-CB 3.36Å; S292-T295 PolarHBondContact O-N 2.75Å; S292-T295 VanDerWaalsContact O-N 3.07Å; S292-L296 PolarHBondContact O-N 3.46Å; S292-L296 VanDerWaalsContact O-N 3.16Å
293	P	92	Very high	95.7	Very high	71 Å²	71	43.4 Å²	43.4	46%	0.461	23%	0.23	S	C	.	.	H	α-helix	trans	-57.9	-31.8	-177.4	-26.2	35.3	0	0	0	114.5	L296 F297 L719	P293-L296 PolarHBondContact O-N 2.96Å; P293-F297 WeakPolarHBondContact O-CB 3.38Å; P293-F297 PolarHBondContact O-N 3.27Å; P293-L719 HydrophobicContact CB-CD1 4.44Å; P293-L719 HydrophobicContact CG-CD1 4.46Å
294	E	93.9	Very high	95.6	Very high	157 Å²	157	51.3 Å²	51.3	73%	0.734	26%	0.26	S	S	*	.	H	α-helix	trans	-63.4	-44.4	175.8	-63.6	-176.7	173.2	0	0	111.9	S292 L296 F297 N298	S292-E294 PolarHBondContact O-N 3.33Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.06Å; E294-F297 PolarHBondContact O-N 3.17Å; E294-N298 WeakPolarHBondContact O-CB 3.4Å; E294-N298 PolarHBondContact O-N 2.96Å; E294-N298 PolarHBondContact O-ND2 2.8Å
295	T	94.7	Very high	95.4	Very high	31 Å²	31	54 Å²	54	19%	0.19	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-43.1	177.2	-61.4	0	0	0	0	110.2	L289 S292 F297 N298 I299 M448	L289-T295 HydrophobicContact CD2-CG2 4.47Å; S292-T295 WeakPolarHBondContact O-CB 3.36Å; S292-T295 PolarHBondContact O-N 2.75Å; S292-T295 VanDerWaalsContact O-N 3.07Å; T295-F297 PolarHBondContact O-N 3.05Å; T295-N298 PolarHBondContact O-N 2.85Å; T295-I299 HydrophobicContact CG2-CD1 3.78Å; T295-I299 HydrophobicContact CG2-CG1 4.46Å; T295-I299 WeakPolarHBondContact O-CB 3.17Å; T295-I299 VanDerWaalsContact O-CG1 3.24Å; T295-I299 WeakPolarHBondContact O-CG1 3.35Å; T295-I299 PolarHBondContact O-N 3.49Å; T295-M448 WeakPolarHBondContact CG2-O 3.42Å
296	L	95.7	Very high	95.1	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-48.8	174.6	175.5	64.2	0	0	0	111.9	S292 P293 E294 I299 Q300 A712 A715 K716 L719	S292-L296 PolarHBondContact O-N 3.46Å; S292-L296 VanDerWaalsContact O-N 3.16Å; P293-L296 PolarHBondContact O-N 2.96Å; E294-L296 VanDerWaalsContact C-N 3.34Å; E294-L296 PolarHBondContact O-N 3.06Å; L296-I299 PolarHBondContact O-N 2.76Å; L296-Q300 HydrophobicContact CD1-CG 4.23Å; L296-Q300 WeakPolarHBondContact O-CG 3.25Å; L296-Q300 PolarHBondContact O-N 3.44Å; L296-A712 HydrophobicContact CD1-CB 3.64Å; L296-A715 HydrophobicContact CD1-CB 4.08Å; L296-A715 HydrophobicContact CD2-CB 3.95Å; L296-K716 HydrophobicContact CD2-CB 4.35Å; L296-L719 HydrophobicContact CD2-CD1 3.57Å
297	F	95.5	Very high	94.7	Very high	115 Å²	115	56.1 Å²	56.1	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-44.5	179.4	-178.6	-109.9	0	0	0	111.7	P293 E294 T295 Q300 N301	P293-F297 WeakPolarHBondContact O-CB 3.38Å; P293-F297 PolarHBondContact O-N 3.27Å; E294-F297 PolarHBondContact O-N 3.17Å; T295-F297 PolarHBondContact O-N 3.05Å; F297-Q300 PolarHBondContact O-N 3.11Å; F297-N301 VanDerWaalsContact CD1-ND2 3.26Å; F297-N301 WeakPolarHBondContact CD1-ND2 3.48Å; F297-N301 WeakPolarHBondContact CE1-ND2 3.45Å; F297-N301 WeakPolarHBondContact CZ-ND2 3.41Å; F297-N301 WeakPolarHBondContact O-CB 3.28Å; F297-N301 PolarHBondContact O-N 3.01Å; F297-N301 PolarHBondContact O-ND2 3.03Å
298	N	96.2	Very high	94.1	Very high	75 Å²	75	54.8 Å²	54.8	40%	0.401	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-46.4	176.9	-70.6	-24.2	0	0	0	111.7	E294 T295 Q300 N301 I302 A447	E294-N298 WeakPolarHBondContact O-CB 3.4Å; E294-N298 PolarHBondContact O-N 2.96Å; E294-N298 PolarHBondContact O-ND2 2.8Å; T295-N298 PolarHBondContact O-N 2.85Å; N298-Q300 PolarHBondContact O-N 2.89Å; N298-N301 PolarHBondContact O-N 2.91Å; N298-I302 WeakPolarHBondContact O-CG1 3.25Å; N298-I302 PolarHBondContact O-N 2.72Å; N298-I302 VanDerWaalsContact O-N 3.16Å; N298-A447 HydrophobicContact CB-CB 4.1Å
299	I	96.6	Very high	93.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-50.4	175.5	-71	165.7	0	0	0	110.4	L289 T295 L296 N301 I302 L303 L444 M448 L708	L289-I299 HydrophobicContact CD2-CD1 3.85Å; T295-I299 HydrophobicContact CG2-CD1 3.78Å; T295-I299 HydrophobicContact CG2-CG1 4.46Å; T295-I299 WeakPolarHBondContact O-CB 3.17Å; T295-I299 VanDerWaalsContact O-CG1 3.24Å; T295-I299 WeakPolarHBondContact O-CG1 3.35Å; T295-I299 PolarHBondContact O-N 3.49Å; L296-I299 PolarHBondContact O-N 2.76Å; I299-N301 VanDerWaalsContact C-N 3.33Å; I299-N301 PolarHBondContact O-N 3.24Å; I299-I302 PolarHBondContact O-N 3.4Å; I299-L303 HydrophobicContact CG2-CD1 3.6Å; I299-L303 HydrophobicContact CG2-CG 4.09Å; I299-L303 WeakPolarHBondContact O-CB 3.47Å; I299-L303 VanDerWaalsContact O-CG 3.3Å; I299-L303 WeakPolarHBondContact O-CG 3.38Å; I299-L303 PolarHBondContact O-N 2.62Å; I299-L444 HydrophobicContact CG2-CD1 4.38Å; I299-M448 HydrophobicContact CD1-CG 4.07Å; I299-M448 HydrophobicContact CG1-CG 4.14Å; I299-L708 HydrophobicContact CD1-CD1 4.38Å; I299-L708 HydrophobicContact CG2-CD1 4.4Å; I299-L708 HydrophobicContact CG2-CD2 3.8Å; I299-L708 HydrophobicContact CG2-CG 3.89Å
300	Q	96.4	Very high	92.9	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-39.4	-179.5	-72.2	-171.1	-52.2	0	0	112.5	L296 F297 N298 I302 L303 R304 A712	L296-Q300 HydrophobicContact CD1-CG 4.23Å; L296-Q300 WeakPolarHBondContact O-CG 3.25Å; L296-Q300 PolarHBondContact O-N 3.44Å; F297-Q300 PolarHBondContact O-N 3.11Å; N298-Q300 PolarHBondContact O-N 2.89Å; Q300-I302 VanDerWaalsContact C-N 3.3Å; Q300-I302 PolarHBondContact O-N 3.13Å; Q300-L303 PolarHBondContact O-N 3.24Å; Q300-R304 WeakPolarHBondContact O-CG 3.39Å; Q300-R304 PolarHBondContact O-N 3.44Å; Q300-A712 HydrophobicContact CG-CB 4.21Å
301	N	95.7	Very high	92.2	Very high	55 Å²	55	53.6 Å²	53.6	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-36.8	177.5	-74.3	-18.7	0	0	0	112.8	F297 N298 I299 Q305	F297-N301 VanDerWaalsContact CD1-ND2 3.26Å; F297-N301 WeakPolarHBondContact CD1-ND2 3.48Å; F297-N301 WeakPolarHBondContact CE1-ND2 3.45Å; F297-N301 WeakPolarHBondContact CZ-ND2 3.41Å; F297-N301 WeakPolarHBondContact O-CB 3.28Å; F297-N301 PolarHBondContact O-N 3.01Å; F297-N301 PolarHBondContact O-ND2 3.03Å; N298-N301 PolarHBondContact O-N 2.91Å; I299-N301 VanDerWaalsContact C-N 3.33Å; I299-N301 PolarHBondContact O-N 3.24Å; N301-Q305 PolarHBondContact O-NE2 2.94Å
302	I	96.4	Very high	91.7	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.128	25%	0.245	C	C	.	.	H	α-helix	trans	-74.9	-44	174.6	-59.4	-53.9	0	0	0	110.5	N298 I299 Q300 R304 Q305 F306 L443 L444 A447	N298-I302 WeakPolarHBondContact O-CG1 3.25Å; N298-I302 PolarHBondContact O-N 2.72Å; N298-I302 VanDerWaalsContact O-N 3.16Å; I299-I302 PolarHBondContact O-N 3.4Å; Q300-I302 VanDerWaalsContact C-N 3.3Å; Q300-I302 PolarHBondContact O-N 3.13Å; I302-R304 VanDerWaalsContact C-N 3.3Å; I302-R304 PolarHBondContact O-N 3.28Å; I302-Q305 WeakPolarHBondContact O-CB 3.49Å; I302-Q305 PolarHBondContact O-N 3.3Å; I302-F306 HydrophobicContact CG2-CD2 4.36Å; I302-F306 HydrophobicContact CG2-CE2 3.9Å; I302-F306 WeakPolarHBondContact O-CD2 3.24Å; I302-L443 HydrophobicContact CD1-CB 4.01Å; I302-L443 HydrophobicContact CD1-CD1 4.44Å; I302-L443 HydrophobicContact CG1-CB 4.45Å; I302-L443 HydrophobicContact CG2-CB 4.35Å; I302-L444 HydrophobicContact CB-CD1 4.24Å; I302-L444 HydrophobicContact CG2-CB 3.93Å; I302-L444 HydrophobicContact CG2-CD1 4.07Å; I302-A447 HydrophobicContact CG1-CB 4.01Å
303	L	96.2	Very high	91	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-37	179	-71.8	174.6	0	0	0	113.1	T258 I299 Q300 Q305 F306 L444 V705 D709	T258-L303 HydrophobicContact CG2-CB 4.25Å; T258-L303 HydrophobicContact CG2-CD2 4.39Å; I299-L303 HydrophobicContact CG2-CD1 3.6Å; I299-L303 HydrophobicContact CG2-CG 4.09Å; I299-L303 WeakPolarHBondContact O-CB 3.47Å; I299-L303 VanDerWaalsContact O-CG 3.3Å; I299-L303 WeakPolarHBondContact O-CG 3.38Å; I299-L303 PolarHBondContact O-N 2.62Å; Q300-L303 PolarHBondContact O-N 3.24Å; L303-Q305 PolarHBondContact O-N 2.84Å; L303-F306 WeakPolarHBondContact O-CB 3.42Å; L303-F306 PolarHBondContact O-N 3.11Å; L303-F306 VanDerWaalsContact O-N 3.11Å; L303-L444 HydrophobicContact CD2-CD1 4.33Å; L303-L444 HydrophobicContact CD2-CD2 4.4Å; L303-L444 HydrophobicContact CG-CD1 4.42Å; L303-V705 HydrophobicContact CD2-CG1 3.88Å; L303-D709 HydrophobicContact CD1-CB 3.88Å
304	R	94.3	Very high	90.4	Very high	174 Å²	174	44.6 Å²	44.6	66%	0.657	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.9	175.3	-74.7	175.6	-173.9	-111.1	-2.4	113.9	Q300 I302	Q300-R304 WeakPolarHBondContact O-CG 3.39Å; Q300-R304 PolarHBondContact O-N 3.44Å; I302-R304 VanDerWaalsContact C-N 3.3Å; I302-R304 PolarHBondContact O-N 3.28Å
305	Q	93	Very high	89.2	Confident	88 Å²	88	38.5 Å²	38.5	41%	0.411	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.2	178.6	-66.7	176.2	62.5	0	0	112.4	N301 I302 L303 Y436 L440	N301-Q305 PolarHBondContact O-NE2 2.94Å; I302-Q305 WeakPolarHBondContact O-CB 3.49Å; I302-Q305 PolarHBondContact O-N 3.3Å; L303-Q305 PolarHBondContact O-N 2.84Å; Q305-Y436 WeakPolarHBondContact O-CE1 3.32Å; Q305-Y436 PolarHBondContact OE1-OH 2.98Å; Q305-L440 HydrophobicContact CB-CD1 3.93Å; Q305-L440 HydrophobicContact CB-CD2 4.26Å; Q305-L440 WeakPolarHBondContact O-CD1 3.21Å
306	F	92.7	Very high	88.1	Confident	16 Å²	16	37.3 Å²	37.3	7%	0.07	18%	0.177	C	C	.	.			trans	-65.5	128.5	-179.4	-93.4	-97.9	0	0	0	111.3	I302 L303 I309 M437 L440 L444 L701 V705	I302-F306 HydrophobicContact CG2-CD2 4.36Å; I302-F306 HydrophobicContact CG2-CE2 3.9Å; I302-F306 WeakPolarHBondContact O-CD2 3.24Å; L303-F306 WeakPolarHBondContact O-CB 3.42Å; L303-F306 PolarHBondContact O-N 3.11Å; L303-F306 VanDerWaalsContact O-N 3.11Å; F306-I309 HydrophobicContact CD1-CD1 4.19Å; F306-M437 HydrophobicContact CD1-CG 3.88Å; F306-M437 HydrophobicContact CE1-CG 3.76Å; F306-L440 HydrophobicContact CD2-CB 4.2Å; F306-L440 HydrophobicContact CD2-CD1 3.84Å; F306-L440 HydrophobicContact CE1-CB 4.33Å; F306-L440 HydrophobicContact CE2-CB 3.6Å; F306-L440 HydrophobicContact CE2-CD1 4.12Å; F306-L440 HydrophobicContact CG-CD1 4.06Å; F306-L440 HydrophobicContact CZ-CB 3.67Å; F306-L444 HydrophobicContact CE2-CB 4.33Å; F306-L444 HydrophobicContact CE2-CD2 4.02Å; F306-L444 HydrophobicContact CZ-CD2 4.09Å; F306-L701 HydrophobicContact CE1-CD2 4.45Å; F306-V705 HydrophobicContact CD1-CG2 4.21Å; F306-V705 HydrophobicContact CE1-CG2 3.95Å; F306-V705 HydrophobicContact CZ-CG2 4.24Å
307	P	88.1	Confident	87	Confident	30 Å²	30	37.1 Å²	37.1	20%	0.195	18%	0.176	C	C	.	.			trans	-70.7	162.3	170.5	31.3	-34.9	0	0	0	110.8	I309 L312 M437	P307-I309 PolarHBondContact O-N 3.45Å; P307-L312 HydrophobicContact CB-CD1 3.69Å; P307-L312 HydrophobicContact CG-CD1 3.5Å; P307-L312 VanDerWaalsContact CG-CD1 3.5Å; P307-M437 HydrophobicContact CG-CB 4Å; P307-M437 HydrophobicContact CG-CE 4.16Å; P307-M437 HydrophobicContact CG-CG 4.49Å
308	H	85	Confident	85.8	Confident	98 Å²	98	33.2 Å²	33.2	45%	0.454	16%	0.16	S	C	.	.			trans	-64.5	95.3	175.8	-65.7	-49.2	0	0	0	112	A259 D310 S311 L312	A259-H308 VanDerWaalsContact CB-CE1 3.4Å; A259-H308 WeakPolarHBondContact CB-CE1 3.34Å; A259-H308 WeakPolarHBondContact CB-ND1 3.48Å; H308-D310 PolarHBondContact O-N 3.4Å; H308-S311 PolarHBondContact O-N 2.79Å; H308-S311 VanDerWaalsContact O-N 3.13Å; H308-L312 WeakPolarHBondContact O-CG 3.42Å; H308-L312 PolarHBondContact O-N 3.38Å; H308-L312 VanDerWaalsContact O-N 3.13Å
309	I	85.7	Confident	84.4	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-53.5	-51	-173.6	-54	176.7	0	0	0	111.4	F306 P307 S311 L312 L313 M437 L701 V705	F306-I309 HydrophobicContact CD1-CD1 4.19Å; P307-I309 PolarHBondContact O-N 3.45Å; I309-S311 VanDerWaalsContact C-N 3.29Å; I309-S311 PolarHBondContact O-N 3.48Å; I309-L312 WeakPolarHBondContact O-CB 3.26Å; I309-L312 PolarHBondContact O-N 2.89Å; I309-L313 HydrophobicContact CG2-CD1 3.96Å; I309-L313 HydrophobicContact CG2-CG 4.3Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.04Å; I309-M437 HydrophobicContact CB-CE 4.08Å; I309-M437 HydrophobicContact CB-SD 4.42Å; I309-M437 HydrophobicContact CD1-SD 4.2Å; I309-M437 HydrophobicContact CG1-CE 3.8Å; I309-M437 HydrophobicContact CG1-SD 3.84Å; I309-M437 HydrophobicContact CG2-CE 3.94Å; I309-M437 HydrophobicContact CG2-SD 3.99Å; I309-L701 HydrophobicContact CD1-CG 4.34Å; I309-V705 HydrophobicContact CD1-CB 4.15Å; I309-V705 HydrophobicContact CD1-CG1 4.27Å; I309-V705 HydrophobicContact CD1-CG2 4.09Å
310	D	80.8	Confident	82.4	Confident	18 Å²	18	37.4 Å²	37.4	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-54	-43.5	179.7	-73	-39.7	0	0	0	113.2	N95 R263 H308 L313 S314	N95-D310 PolarHBondContact ND2-OD1 3.02Å; R263-D310 IonicContact CZ-OD2 3.75Å; R263-D310 IonicContact NH1-OD2 3.93Å; R263-D310 PolarHBondContact NH1-OD2 3.36Å; R263-D310 IonicContact NH2-OD2 2.7Å; H308-D310 PolarHBondContact O-N 3.4Å; D310-L313 PolarHBondContact O-N 3.13Å; D310-S314 PolarHBondContact O-N 3.24Å
311	S	79.7	Confident	79.8	Confident	21 Å²	21	38.8 Å²	38.8	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-69.4	-35	-180	-179.2	0	0	0	0	111.8	Y92 H308 I309 K430	Y92-S311 WeakPolarHBondContact O-CA 3.18Å; H308-S311 PolarHBondContact O-N 2.79Å; H308-S311 VanDerWaalsContact O-N 3.13Å; I309-S311 VanDerWaalsContact C-N 3.29Å; I309-S311 PolarHBondContact O-N 3.48Å; S311-K430 PolarHBondContact O-NZ 3.5Å
312	L	82.7	Confident	76.9	Confident	14 Å²	14	41 Å²	41	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-44.9	175.2	-64.7	179.8	0	0	0	111.2	P307 H308 I309 S314 C316 K430 A433 I434 M437	P307-L312 HydrophobicContact CB-CD1 3.69Å; P307-L312 HydrophobicContact CG-CD1 3.5Å; P307-L312 VanDerWaalsContact CG-CD1 3.5Å; H308-L312 WeakPolarHBondContact O-CG 3.42Å; H308-L312 PolarHBondContact O-N 3.38Å; H308-L312 VanDerWaalsContact O-N 3.13Å; I309-L312 WeakPolarHBondContact O-CB 3.26Å; I309-L312 PolarHBondContact O-N 2.89Å; L312-S314 VanDerWaalsContact C-N 3.35Å; L312-S314 PolarHBondContact O-N 3.13Å; L312-C316 PolarHBondContact O-SG 2.97Å; L312-C316 VanDerWaalsContact O-SG 3.38Å; L312-K430 HydrophobicContact CD2-CB 3.97Å; L312-K430 HydrophobicContact CD2-CD 4.39Å; L312-K430 HydrophobicContact CD2-CG 3.73Å; L312-A433 HydrophobicContact CD1-CB 3.76Å; L312-A433 HydrophobicContact CD2-CB 3.58Å; L312-A433 HydrophobicContact CG-CB 4.34Å; L312-I434 HydrophobicContact CB-CG1 4.22Å; L312-I434 HydrophobicContact CD1-CG1 4.46Å; L312-M437 HydrophobicContact CB-CE 4.34Å; L312-M437 HydrophobicContact CD1-CE 3.23Å; L312-M437 HydrophobicContact CG-CE 4.35Å
313	L	80.1	Confident	73.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.8	-34.5	179.4	-61.6	177.8	0	0	0	112.5	I309 D310 L315 C316 V317 M695 F698 Y699	I309-L313 HydrophobicContact CG2-CD1 3.96Å; I309-L313 HydrophobicContact CG2-CG 4.3Å; I309-L313 WeakPolarHBondContact O-CG 3.36Å; I309-L313 PolarHBondContact O-N 3.04Å; D310-L313 PolarHBondContact O-N 3.13Å; L313-L315 VanDerWaalsContact C-N 3.34Å; L313-L315 PolarHBondContact O-N 3.34Å; L313-C316 WeakPolarHBondContact O-CB 3.24Å; L313-C316 PolarHBondContact O-N 3.02Å; L313-V317 WeakPolarHBondContact O-CG2 3.35Å; L313-V317 PolarHBondContact O-N 3.4Å; L313-M695 HydrophobicContact CD2-SD 4.1Å; L313-F698 HydrophobicContact CD1-CB 3.83Å; L313-F698 HydrophobicContact CD2-CB 3.59Å; L313-F698 HydrophobicContact CD2-CD1 4.35Å; L313-F698 HydrophobicContact CD2-CD2 4.21Å; L313-F698 HydrophobicContact CD2-CG 3.81Å; L313-F698 HydrophobicContact CG-CB 4.31Å; L313-Y699 HydrophobicContact CD1-CD1 3.74Å; L313-Y699 HydrophobicContact CD1-CE1 3.63Å
314	S	79.2	Confident	70.5	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-52.1	-45	-179	-173.5	0	0	0	0	114.3	I91 Y92 D310 L312 V317 Q318	I91-S314 PolarHBondContact O-OG 3.04Å; Y92-S314 VanDerWaalsContact C-CB 3.45Å; Y92-S314 VanDerWaalsContact C-OG 3.31Å; Y92-S314 WeakPolarHBondContact CA-OG 2.87Å; Y92-S314 WeakPolarHBondContact O-CB 3.41Å; D310-S314 PolarHBondContact O-N 3.24Å; L312-S314 VanDerWaalsContact C-N 3.35Å; L312-S314 PolarHBondContact O-N 3.13Å; S314-V317 PolarHBondContact O-N 3.05Å; S314-Q318 VanDerWaalsContact O-CB 3.24Å; S314-Q318 WeakPolarHBondContact O-CB 3.21Å; S314-Q318 WeakPolarHBondContact O-CG 3.46Å; S314-Q318 PolarHBondContact O-N 3.45Å; S314-Q318 PolarHBondContact OG-OE1 2.98Å
315	L	68.9	Low	67.4	Low	29 Å²	29	48.6 Å²	48.6	15%	0.152	27%	0.272	C	S	.	.	H	α-helix	trans	-83.3	-17.7	-178.3	-165.5	69.3	0	0	0	112.9	L313 V317 R427 K430	L313-L315 VanDerWaalsContact C-N 3.34Å; L313-L315 PolarHBondContact O-N 3.34Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-R427 HydrophobicContact CD2-CB 4.28Å; L315-R427 HydrophobicContact CD2-CG 3.46Å; L315-R427 VanDerWaalsContact CD2-CG 3.46Å; L315-R427 HydrophobicContact CG-CG 3.81Å; L315-K430 HydrophobicContact CB-CD 3.5Å; L315-K430 VanDerWaalsContact CB-NZ 3.35Å; L315-K430 HydrophobicContact CD2-CD 3.63Å; L315-K430 HydrophobicContact CD2-CG 4.49Å; L315-K430 HydrophobicContact CG-CD 4.21Å
316	C	70.6	Confident	64	Low	6 Å²	6	52.4 Å²	52.4	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-74.6	-29	172.1	-61.7	0	0	0	0	111	L312 L313 I434 I688 H692	L312-C316 PolarHBondContact O-SG 2.97Å; L312-C316 VanDerWaalsContact O-SG 3.38Å; L313-C316 WeakPolarHBondContact O-CB 3.24Å; L313-C316 PolarHBondContact O-N 3.02Å; C316-I434 WeakPolarHBondContact SG-CD1 3.38Å; C316-I688 HydrophobicContact CB-CG2 3.87Å; C316-I688 WeakPolarHBondContact O-CG2 3.38Å; C316-H692 PolarHBondContact O-NE2 3.33Å
317	V	72.4	Confident	60.8	Low	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-95.9	-31.9	-178.4	176.9	0	0	0	0	111.8	A94 Y208 A209 S212 M213 L313 S314 L315 I319 M695	A94-V317 HydrophobicContact CB-CB 3.62Å; A94-V317 HydrophobicContact CB-CG1 3.66Å; A94-V317 HydrophobicContact CB-CG2 3.72Å; Y208-V317 CarbonylContact C-O 3.55Å; Y208-V317 HydrophobicContact CD1-CG1 4.01Å; A209-V317 WeakPolarHBondContact CB-O 3.04Å; A209-V317 PolarHBondContact N-O 3.16Å; S212-V317 WeakPolarHBondContact OG-CG1 3.28Å; M213-V317 HydrophobicContact CG-CG1 3.61Å; L313-V317 WeakPolarHBondContact O-CG2 3.35Å; L313-V317 PolarHBondContact O-N 3.4Å; S314-V317 PolarHBondContact O-N 3.05Å; L315-V317 VanDerWaalsContact C-N 3.3Å; V317-I319 PolarHBondContact O-N 3.39Å; V317-M695 HydrophobicContact CG2-SD 4.4Å
318	Q	71.2	Confident	57.9	Low	34 Å²	34	64.6 Å²	64.6	16%	0.159	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	115.9	176.7	-74.3	169.7	-13.7	0	0	111.7	I91 I207 Y208 S314	I91-Q318 PolarHBondContact O-NE2 3.05Å; I207-Q318 CarbonylContact O-C 3.58Å; I207-Q318 WeakPolarHBondContact O-CA 3.45Å; Y208-Q318 HydrophobicContact CD1-CG 3.97Å; Y208-Q318 HydrophobicContact CE1-CG 3.74Å; S314-Q318 VanDerWaalsContact O-CB 3.24Å; S314-Q318 WeakPolarHBondContact O-CB 3.21Å; S314-Q318 WeakPolarHBondContact O-CG 3.46Å; S314-Q318 PolarHBondContact O-N 3.45Å; S314-Q318 PolarHBondContact OG-OE1 2.98Å
319	I	66.8	Low	55.1	Low	86 Å²	86	69.5 Å²	69.5	44%	0.441	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123.7	171.4	-55.1	175.6	0	0	0	107.1	I207 A209 V317 S321	I207-I319 HydrophobicContact CG2-CB 4.49Å; I207-I319 PolarHBondContact O-N 2.87Å; A209-I319 HydrophobicContact CB-CD1 3.81Å; A209-I319 HydrophobicContact CB-CG1 3.92Å; V317-I319 PolarHBondContact O-N 3.39Å; I319-S321 PolarHBondContact O-N 3.02Å
320	C	53.9	Low	52.4	Low	78 Å²	78	76 Å²	76	53%	0.527	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	116.2	170.6	-81.5	0	0	0	0	109.6	T322	C320-T322 PolarHBondContact O-N 3.32Å
321	S	42	Very low	49.9	Very low	37 Å²	37	81.6 Å²	81.6	26%	0.259	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-58.3	126.6	170.8	178	0	0	0	0	109.9	G205 I319 S323	G205-S321 WeakPolarHBondContact O-CB 3.33Å; I319-S321 PolarHBondContact O-N 3.02Å; S321-S323 PolarHBondContact O-N 2.65Å; S321-S323 PolarHBondContact OG-N 2.86Å; S321-S323 PolarHBondContact OG-OG 3.02Å
322	T	35.9	Very low	47.5	Very low	102 Å²	102	85.7 Å²	85.7	63%	0.626	45%	0.448	S	S	*	.			trans	-78.1	-2.4	175.3	-28.9	0	0	0	0	111.8	C320	C320-T322 PolarHBondContact O-N 3.32Å
323	S	28.4	Very low	45.2	Very low	80 Å²	80	94.6 Å²	94.6	56%	0.559	49%	0.486	S	S	*	.			trans	-107.6	103.1	-176.4	62.5	0	0	0	0	111.5	S321	S321-S323 PolarHBondContact O-N 2.65Å; S321-S323 PolarHBondContact OG-N 2.86Å; S321-S323 PolarHBondContact OG-OG 3.02Å
324	N	29	Very low	43	Very low	143 Å²	143	98.7 Å²	98.7	77%	0.765	51%	0.514	S	S	*	.	S	Bend	trans	-148.7	119.5	137.4	-93.8	-26.9	0	0	0	107.4
325	L	28.5	Very low	40.6	Very low	135 Å²	135	105 Å²	105	71%	0.707	54%	0.544	S	S	*	.			trans	63.5	78.3	-176.5	-62.1	167.4	0	0	0	115.4	F327 K417	L325-F327 HydrophobicContact CB-CD2 4.47Å; L325-F327 HydrophobicContact CD2-CE2 4.39Å; L325-F327 PolarHBondContact O-N 3.3Å; L325-F327 VanDerWaalsContact O-N 3.12Å; L325-K417 PolarHBondContact O-NZ 3.22Å
326	M	21.8	Very low	38.9	Very low	168 Å²	168	109 Å²	109	83%	0.828	57%	0.569	S	S	*	*			trans	-67.3	85.2	149.2	-164.6	173.8	88.6	0	0	107.7
327	F	27.1	Very low	37.2	Very low	176 Å²	176	113.6 Å²	113.6	77%	0.772	59%	0.593	S	S	*	*			trans	-77.5	114.9	154.7	-97.1	-85.6	0	0	0	106	L325 W329	L325-F327 HydrophobicContact CB-CD2 4.47Å; L325-F327 HydrophobicContact CD2-CE2 4.39Å; L325-F327 PolarHBondContact O-N 3.3Å; L325-F327 VanDerWaalsContact O-N 3.12Å; F327-W329 PolarHBondContact O-N 2.87Å
328	D	26.9	Very low	35.2	Very low	125 Å²	125	119 Å²	119	67%	0.668	62%	0.622	S	S	*	*			trans	-50.7	104.2	173.1	-108.8	-33	0	0	0	109.7	N330	D328-N330 PolarHBondContact O-N 3.45Å; D328-N330 VanDerWaalsContact O-N 3.16Å
329	W	25.8	Very low	33.4	Very low	202 Å²	202	123.8 Å²	123.8	77%	0.765	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-1	176.1	-177.1	-88.4	0	0	0	112.1	F327	F327-W329 PolarHBondContact O-N 2.87Å
330	N	28.6	Very low	31.9	Very low	139 Å²	139	123.5 Å²	123.5	74%	0.743	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	6.5	-174.1	-90.5	-7.2	0	0	0	116.6	D328 N332	D328-N330 PolarHBondContact O-N 3.45Å; D328-N330 VanDerWaalsContact O-N 3.16Å; N330-N332 PolarHBondContact O-N 3.38Å
331	N	28.5	Very low	30.9	Very low	137 Å²	137	128.7 Å²	128.7	73%	0.733	66%	0.658	S	S	*	*			trans	-90.4	55.7	165.9	-83.2	-19.2	0	0	0	112.1	K333	N331-K333 PolarHBondContact O-N 2.87Å
332	N	30.4	Very low	30.5	Very low	106 Å²	106	133.8 Å²	133.8	57%	0.567	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	37.4	176.8	-103.4	-13.7	0	0	0	114.2	N330	N330-N332 PolarHBondContact O-N 3.38Å
333	K	34.4	Very low	30.5	Very low	202 Å²	202	132.6 Å²	132.6	88%	0.878	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	10.6	169.5	-118.4	178.2	-175.3	177.5	0	115.6	N331	N331-K333 PolarHBondContact O-N 2.87Å
334	S	32.3	Very low	30.6	Very low	86 Å²	86	134.9 Å²	134.9	60%	0.601	68%	0.682	S	S	*	*	S	Bend	trans	-117	0.8	176.5	-52.7	0	0	0	0	114.3	T336 N337	S334-T336 VanDerWaalsContact C-N 3.28Å; S334-T336 PolarHBondContact O-N 3.05Å; S334-N337 PolarHBondContact O-N 3.3Å
335	H	29	Very low	30.6	Very low	135 Å²	135	136.9 Å²	136.9	63%	0.625	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	3.8	-171.9	-126.8	-65.8	0	0	0	115.8
336	T	34	Very low	30.5	Very low	111 Å²	111	135.2 Å²	135.2	68%	0.681	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-10.7	170.4	51.5	0	0	0	0	113.9	S334 T340	S334-T336 VanDerWaalsContact C-N 3.28Å; S334-T336 PolarHBondContact O-N 3.05Å; T336-T340 PolarHBondContact O-OG1 2.83Å
337	N	33.6	Very low	30.8	Very low	104 Å²	104	134.4 Å²	134.4	56%	0.556	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-3.6	-176.4	-74.3	-13.4	0	0	0	114.9	S334	S334-N337 PolarHBondContact O-N 3.3Å
338	L	32	Very low	30.7	Very low	113 Å²	113	135.2 Å²	135.2	59%	0.592	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-34.8	177.4	-143	87.4	0	0	0	112.8	R341 I342	L338-R341 PolarHBondContact O-N 3.11Å; L338-I342 PolarHBondContact O-N 3.35Å
339	I	33.7	Very low	30.4	Very low	134 Å²	134	136.8 Å²	136.8	69%	0.687	70%	0.697	S	S	*	*	H	α-helix	trans	-72.5	-35.9	178.3	-63.2	-179.8	0	0	0	110.8	R341 I342	I339-R341 VanDerWaalsContact C-N 3.27Å; I339-R341 PolarHBondContact O-N 3.21Å; I339-I342 PolarHBondContact O-N 3.41Å
340	T	35.3	Very low	30.3	Very low	80 Å²	80	135.2 Å²	135.2	49%	0.491	70%	0.702	S	S	.	*	H	α-helix	trans	-72.5	-15	174	10.1	0	0	0	0	114.1	T336	T336-T340 PolarHBondContact O-OG1 2.83Å
341	R	31.4	Very low	30.1	Very low	188 Å²	188	134.4 Å²	134.4	71%	0.709	71%	0.707	S	S	*	*	H	α-helix	trans	-86.9	-22.6	175.6	-89.4	-176	-178.5	165.6	3	114	L338 I339	L338-R341 PolarHBondContact O-N 3.11Å; I339-R341 VanDerWaalsContact C-N 3.27Å; I339-R341 PolarHBondContact O-N 3.21Å
342	I	34.8	Very low	29.6	Very low	144 Å²	144	133 Å²	133	74%	0.738	71%	0.708	S	S	*	*	H	α-helix	trans	-80.4	-26.1	178	-62.9	175	0	0	0	110.9	L338 I339	L338-I342 PolarHBondContact O-N 3.35Å; I339-I342 PolarHBondContact O-N 3.41Å
343	S	35.3	Very low	29.2	Very low	77 Å²	77	132.6 Å²	132.6	54%	0.538	71%	0.714	S	S	.	*	H	α-helix	trans	-81.5	-19.8	179.4	71.5	0	0	0	0	115.1
344	N	31.5	Very low	28.5	Very low	127 Å²	127	128.3 Å²	128.3	68%	0.679	71%	0.705	S	S	*	*	S	Bend	trans	-123.1	28.4	-166.8	-71	13.6	0	0	0	115.4
345	K	27.9	Very low	28	Very low	185 Å²	185	134.6 Å²	134.6	80%	0.804	72%	0.721	S	S	*	*			trans	-121.2	29.5	177.1	-118	-176.7	-177.7	-171.3	0	115.9	N347	K345-N347 PolarHBondContact O-N 2.86Å
346	S	26.9	Very low	27.6	Very low	100 Å²	100	134.6 Å²	134.6	70%	0.699	72%	0.724	S	S	*	*	S	Bend	trans	-87.2	81.1	146.8	56.4	0	0	0	0	107.9
347	N	27	Very low	26.8	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	73%	0.73	S	S	*	*			trans	175	142.9	151.2	-85.5	-18.4	0	0	0	109.8	K345	K345-N347 PolarHBondContact O-N 2.86Å
348	E	25.7	Very low	26.4	Very low	194 Å²	194	141 Å²	141	91%	0.907	75%	0.746	S	S	*	*			trans	87.3	85.7	171.7	-63.4	-174.9	155.2	0	0	118.7
349	L	21.2	Very low	25.8	Very low	158 Å²	158	143.6 Å²	143.6	83%	0.827	76%	0.755	S	S	*	*			trans	-47.8	158.9	138.9	-75.6	140	0	0	0	113
350	L	22.4	Very low	25.2	Very low	168 Å²	168	143.6 Å²	143.6	88%	0.88	76%	0.757	S	S	*	*			trans	85.9	95.9	164.2	-59.7	146.1	0	0	0	117
351	S	24.3	Very low	24.6	Very low	122 Å²	122	145.4 Å²	145.4	85%	0.853	77%	0.767	S	S	*	*				-177.2	118.3	110.3	38.1	0	0	0	0	110.6
352	S	18.6	Very low	24.2	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	77%	0.767	S	S	*	*			trans	-68.7	161	170	44	0	0	0	0	112.7
353	S	21.2	Very low	23.6	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	77%	0.766	S	S	*	*			trans	100	103.2	146.5	-53.6	0	0	0	0	118.1
354	T	20.2	Very low	23.3	Very low	111 Å²	111	146.9 Å²	146.9	68%	0.681	78%	0.782	S	S	*	*				60.6	116.8	118.8	-37.1	0	0	0	0	117.7	I356	T354-I356 HydrophobicContact CG2-CD1 4.33Å
355	K	22.6	Very low	22.8	Very low	218 Å²	218	146.3 Å²	146.3	95%	0.948	79%	0.788	S	S	*	*			trans	-152.1	122.2	137.4	-106.8	162	-165.3	-173.4	0	111.4
356	I	19.2	Very low	22.7	Very low	135 Å²	135	143.2 Å²	143.2	69%	0.692	79%	0.787	S	S	*	*			trans	-97.1	141.9	-176.3	-84.7	168.8	0	0	0	107.2	T354	T354-I356 HydrophobicContact CG2-CD1 4.33Å
357	Y	18.6	Very low	22.5	Very low	206 Å²	206	146 Å²	146	81%	0.808	79%	0.793	S	S	*	*			trans	38.7	130.5	157.1	-72.1	-103.8	0	0	0	121.3
358	T	24.6	Very low	22.3	Very low	145 Å²	145	146.6 Å²	146.6	89%	0.89	80%	0.795	S	S	*	*			trans	-144	128.3	138.2	33.2	0	0	0	0	110.1
359	Q	19.4	Very low	22.2	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	79%	0.785	S	S	*	*			trans	-78.2	169.7	164.2	-73.7	167.7	-69.7	0	0	109.9
360	D	22.2	Very low	22.4	Very low	134 Å²	134	139.8 Å²	139.8	72%	0.717	78%	0.777	S	S	*	*			trans	116	107	149	-65.7	-19.1	0	0	0	118.9
361	T	22	Very low	22.6	Very low	117 Å²	117	139 Å²	139	72%	0.718	77%	0.773	S	S	*	*				89.2	111.7	124.1	58.7	0	0	0	0	121.6
362	V	22.2	Very low	22.6	Very low	115 Å²	115	141.8 Å²	141.8	70%	0.697	77%	0.77	S	S	*	*				83.8	119.5	118.8	179.5	0	0	0	0	119.2
363	N	23.4	Very low	23	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	77%	0.774	S	S	*	*			trans	69.3	105.1	151.9	-64.6	-12.5	0	0	0	119.7
364	H	27.8	Very low	23.1	Very low	190 Å²	190	149 Å²	149	88%	0.88	78%	0.782	S	S	*	*				-155.7	123.6	120.8	-95.9	-69.8	0	0	0	110.4	P366	H364-P366 WeakPolarHBondContact O-CD 3.33Å
365	S	21	Very low	23.3	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	79%	0.788	S	S	*	*			trans	-60.1	132.3	169.7	154.8	0	0	0	0	111.7
366	P	26.4	Very low	23.5	Very low	121 Å²	121	145.3 Å²	145.3	79%	0.786	78%	0.783	S	S	*	*			trans	-120.1	105.6	157.1	25.9	-6.5	0	0	0	110.8	H364	H364-P366 WeakPolarHBondContact O-CD 3.33Å
367	L	23.4	Very low	23.6	Very low	158 Å²	158	142.3 Å²	142.3	83%	0.827	79%	0.785	S	S	*	*			trans	17.1	111.7	142.8	-85.9	142.4	0	0	0	118.2	S369	L367-S369 PolarHBondContact O-N 3.46Å; L367-S369 VanDerWaalsContact O-N 3.15Å
368	I	22.3	Very low	23.9	Very low	163 Å²	163	140 Å²	140	84%	0.836	79%	0.786	S	S	*	*			trans	-54.1	106.7	156.7	-64.4	161.4	0	0	0	109.1
369	S	23.8	Very low	23.7	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	78%	0.782	S	S	*	*			trans	-114.3	104.5	159.8	67.3	0	0	0	0	109.5	L367 I371	L367-S369 PolarHBondContact O-N 3.46Å; L367-S369 VanDerWaalsContact O-N 3.15Å; S369-I371 PolarHBondContact O-N 2.88Å
370	T	24	Very low	24	Very low	109 Å²	109	142.1 Å²	142.1	67%	0.669	79%	0.787	S	S	*	*			trans	-58.6	102.5	177.5	-40.2	0	0	0	0	111.6	K372	T370-K372 HydrophobicContact CG2-CG 4.18Å; T370-K372 PolarHBondContact O-N 3.16Å
371	I	27.8	Very low	24	Very low	152 Å²	152	143.8 Å²	143.8	78%	0.779	79%	0.791	S	S	*	*			trans	-92.1	93.3	165.1	-62.3	177.3	0	0	0	107.3	S369 N373	S369-I371 PolarHBondContact O-N 2.88Å; I371-N373 PolarHBondContact O-N 2.87Å
372	K	24.4	Very low	23.9	Very low	181 Å²	181	149.8 Å²	149.8	79%	0.787	80%	0.8	S	S	*	*			trans	-68.2	117.8	169.2	-85.5	177.8	175.9	177.1	0	109.1	T370 K374	T370-K372 HydrophobicContact CG2-CG 4.18Å; T370-K372 PolarHBondContact O-N 3.16Å; K372-K374 PolarHBondContact O-N 3.44Å
373	N	25.8	Very low	24.1	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	81%	0.806	S	S	*	*			trans	-51.6	115.3	169.5	-66.3	-29.2	0	0	0	111.2	I371 S375	I371-N373 PolarHBondContact O-N 2.87Å; N373-S375 PolarHBondContact O-N 3.16Å
374	K	24.6	Very low	24.2	Very low	202 Å²	202	150 Å²	150	88%	0.878	81%	0.809	S	S	*	*			trans	-83.2	103.7	163.7	-92.3	-178.4	174	178.6	0	108.4	K372 T376	K372-K374 PolarHBondContact O-N 3.44Å; K374-T376 PolarHBondContact O-N 3.29Å
375	S	25.1	Very low	23.9	Very low	114 Å²	114	151.3 Å²	151.3	80%	0.797	81%	0.812	S	S	*	*			trans	-61.8	120.8	169.1	50.4	0	0	0	0	110.9	N373 G377	N373-S375 PolarHBondContact O-N 3.16Å; S375-G377 PolarHBondContact O-N 2.69Å; S375-G377 VanDerWaalsContact O-N 3.17Å
376	T	25.2	Very low	24	Very low	137 Å²	137	150.8 Å²	150.8	84%	0.84	81%	0.809	S	S	*	*			trans	-72.2	96.4	169.9	47.6	0	0	0	0	109.8	K374	K374-T376 PolarHBondContact O-N 3.29Å
377	G	22.7	Very low	23.7	Very low	71 Å²	71	150.1 Å²	150.1	73%	0.732	81%	0.807	S	S	*	*			trans	-86.3	117.5	168.3	0	0	0	0	0	110.4	S375	S375-G377 PolarHBondContact O-N 2.69Å; S375-G377 VanDerWaalsContact O-N 3.17Å
378	L	23.3	Very low	23.9	Very low	158 Å²	158	149.4 Å²	149.4	83%	0.827	81%	0.809	S	S	*	*			trans	-121.5	88.4	168.2	-80.7	168.7	0	0	0	107.9
379	L	20.2	Very low	23.9	Very low	157 Å²	157	149.3 Å²	149.3	82%	0.822	81%	0.809	S	S	*	*			trans	-93.1	112.5	166.2	-90.3	158.3	0	0	0	107.5
380	F	26.7	Very low	24.2	Very low	199 Å²	199	152.7 Å²	152.7	87%	0.873	82%	0.819	S	S	*	*			trans	-106.4	86.1	162	-96	-84.2	0	0	0	107.6
381	E	22.4	Very low	25	Very low	170 Å²	170	153.2 Å²	153.2	79%	0.794	82%	0.824	S	S	*	*			trans	-78.3	140.4	161.7	-85.2	-174.6	160	0	0	109.8	P383	E381-P383 WeakPolarHBondContact O-CD 3.42Å
382	R	19	Very low	24.8	Very low	242 Å²	242	149.3 Å²	149.3	91%	0.913	82%	0.821	S	S	*	*			trans	-88.9	112.1	-173.8	-153.4	176.6	-170.2	166.6	1.5	108.2
383	P	27.9	Very low	24.9	Very low	127 Å²	127	146.2 Å²	146.2	83%	0.825	82%	0.822	S	S	*	*			trans	-82.3	129.7	-175.5	21.5	-14.2	0	0	0	111.3	E381	E381-P383 WeakPolarHBondContact O-CD 3.42Å
384	T	23.6	Very low	24.6	Very low	129 Å²	129	144.7 Å²	144.7	79%	0.791	82%	0.824	S	S	*	*			trans	-76.4	135.5	179.2	41.7	0	0	0	0	111.3	S386	T384-S386 PolarHBondContact O-N 3.49Å
385	K	22	Very low	24.6	Very low	217 Å²	217	140.1 Å²	140.1	94%	0.943	82%	0.817	S	S	*	*			trans	-64.6	113.8	174.2	-64.5	175.9	178.9	179.6	0	109.3
386	S	22.7	Very low	24.5	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	81%	0.814	S	S	*	*			trans	-137.1	118.6	160.9	50.7	0	0	0	0	109.9	T384	T384-S386 PolarHBondContact O-N 3.49Å
387	S	21.8	Very low	24.4	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	82%	0.817	S	S	*	*			trans	-46.1	140.8	169.1	46.5	0	0	0	0	113.5
388	T	26	Very low	24.6	Very low	143 Å²	143	145.2 Å²	145.2	88%	0.877	82%	0.819	S	S	*	*			trans	-161.6	109.4	137.4	26.7	0	0	0	0	109
389	L	22.4	Very low	24.6	Very low	161 Å²	161	143.9 Å²	143.9	84%	0.843	82%	0.818	S	S	*	*			trans	-62.5	149.4	162.3	-65.5	126.4	0	0	0	109
390	L	30.2	Very low	24.8	Very low	171 Å²	171	142.5 Å²	142.5	90%	0.895	82%	0.818	S	S	*	*				-173.7	148.5	124.6	-92.4	160.5	0	0	0	110.6
391	P	40.2	Very low	24.6	Very low	121 Å²	121	138 Å²	138	79%	0.786	81%	0.812	S	S	*	*			trans	-104.1	159.8	-161.4	39.8	-32.9	0	0	0	113.2
392	G	24.5	Very low	24.8	Very low	69 Å²	69	135 Å²	135	71%	0.711	81%	0.809	S	S	*	*			trans	-175.8	111	167.3	0	0	0	0	0	113.7
393	S	25.7	Very low	25.1	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	81%	0.809	S	S	*	*			trans	84.9	86.9	148.1	-49.7	0	0	0	0	118.4
394	S	20.6	Very low	24.9	Very low	125 Å²	125	136.1 Å²	136.1	87%	0.874	81%	0.811	S	S	*	*			trans	-29.6	121.8	141.8	23.2	0	0	0	0	115.7
395	S	23.8	Very low	24.9	Very low	105 Å²	105	140.8 Å²	140.8	73%	0.734	82%	0.816	S	S	*	*			trans	-161.2	121.5	141.1	63.2	0	0	0	0	112.3
396	S	23.9	Very low	24.9	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	81%	0.807	S	S	*	*			trans	58.5	105.8	151.6	58.9	0	0	0	0	120	I398	S396-I398 PolarHBondContact O-N 3.36Å
397	L	23.8	Very low	25.1	Very low	175 Å²	175	136.2 Å²	136.2	92%	0.916	81%	0.807	S	S	*	*			trans	-34.1	108.7	151.3	-71.1	104.4	0	0	0	113.9
398	I	27	Very low	25.4	Very low	150 Å²	150	136.6 Å²	136.6	77%	0.769	81%	0.807	S	S	*	*			trans	-140.1	107	144.6	-59.2	-177.5	0	0	0	106.8	S396 P400	S396-I398 PolarHBondContact O-N 3.36Å; I398-P400 WeakPolarHBondContact O-CD 3.45Å
399	T	22	Very low	25.5	Very low	130 Å²	130	139 Å²	139	80%	0.798	81%	0.805	S	S	*	*			trans	-68.1	115.6	170	40.8	0	0	0	0	109.9	S401	T399-S401 PolarHBondContact O-N 2.77Å
400	P	25.1	Very low	25.7	Very low	128 Å²	128	136.3 Å²	136.3	83%	0.831	80%	0.8	S	S	*	*			trans	-85.4	108.6	171.6	10	8.1	0	0	0	108.7	I398	I398-P400 WeakPolarHBondContact O-CD 3.45Å
401	S	23	Very low	25.5	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	80%	0.795	S	S	*	*			trans	-75.1	133.3	169.7	49.7	0	0	0	0	111.4	T399	T399-S401 PolarHBondContact O-N 2.77Å
402	S	25.1	Very low	24.5	Very low	106 Å²	106	137.4 Å²	137.4	74%	0.741	80%	0.796	S	S	*	*			trans	63.2	78.2	155.1	75.7	0	0	0	0	117.8	K404	S402-K404 PolarHBondContact O-N 2.83Å
403	E	24.9	Very low	24.5	Very low	193 Å²	193	140.9 Å²	140.9	90%	0.902	80%	0.798	S	S	*	*			trans	-68.1	117.3	149.6	-83	-178.4	157	0	0	109.3	Y405	E403-Y405 PolarHBondContact O-N 2.79Å; E403-Y405 VanDerWaalsContact O-N 3.09Å
404	K	24.7	Very low	24.4	Very low	199 Å²	199	145.8 Å²	145.8	87%	0.865	80%	0.8	S	S	*	*			trans	-58.8	107	174.5	-77	170.6	174.9	172.4	0	109.8	S402 C406	S402-K404 PolarHBondContact O-N 2.83Å; K404-C406 PolarHBondContact O-N 2.76Å; K404-C406 VanDerWaalsContact O-N 3.13Å
405	Y	23.6	Very low	24.6	Very low	228 Å²	228	149.2 Å²	149.2	89%	0.894	80%	0.799	S	S	*	*			trans	-58.2	108	161.2	-113	-104.2	0	0	0	109.2	E403	E403-Y405 PolarHBondContact O-N 2.79Å; E403-Y405 VanDerWaalsContact O-N 3.09Å
406	C	22.4	Very low	24.9	Very low	114 Å²	114	152.3 Å²	152.3	77%	0.77	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75	126.3	162.2	-78	0	0	0	0	108.5	K404	K404-C406 PolarHBondContact O-N 2.76Å; K404-C406 VanDerWaalsContact O-N 3.13Å
407	P	27	Very low	25.3	Very low	111 Å²	111	153.7 Å²	153.7	72%	0.721	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-69.8	146.3	-174.7	27.9	-32.4	0	0	0	111.2	K409	P407-K409 PolarHBondContact O-N 3.43Å
408	P	27.9	Very low	25.9	Very low	113 Å²	113	149.9 Å²	149.9	73%	0.734	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-67.3	132.8	-177.2	28.6	-31.6	0	0	0	109.5	S410	P408-S410 PolarHBondContact O-N 3.17Å
409	K	27	Very low	27.3	Very low	194 Å²	194	144.8 Å²	144.8	84%	0.843	76%	0.762	S	S	*	*			trans	-59.6	109.2	175.3	-69.6	174.9	177.3	175.7	0	108.6	P407 D411	P407-K409 PolarHBondContact O-N 3.43Å; K409-D411 PolarHBondContact O-N 3.2Å
410	S	26.7	Very low	29.7	Very low	104 Å²	104	143.2 Å²	143.2	73%	0.727	75%	0.749	S	S	*	*			trans	9.8	97.5	158.9	59.1	0	0	0	0	114.4	P408 M412	P408-S410 PolarHBondContact O-N 3.17Å; S410-M412 PolarHBondContact O-N 3.33Å
411	D	26	Very low	32.4	Very low	148 Å²	148	140 Å²	140	79%	0.791	72%	0.724	S	S	*	*			trans	-53	110.2	167.9	-68.2	-42.6	0	0	0	108.7	K409 I413	K409-D411 PolarHBondContact O-N 3.2Å; D411-I413 PolarHBondContact O-N 2.96Å
412	M	19.7	Very low	35.1	Very low	167 Å²	167	141.7 Å²	141.7	82%	0.823	72%	0.72	S	S	*	*			trans	-64	104.4	167.2	-81.5	-144.4	103.5	0	0	107.3	S410 Y414	S410-M412 PolarHBondContact O-N 3.33Å; M412-Y414 WeakPolarHBondContact O-CD2 3.34Å; M412-Y414 PolarHBondContact O-N 3.42Å
413	I	24.1	Very low	37.7	Very low	143 Å²	143	137.6 Å²	137.6	73%	0.733	69%	0.692	S	S	*	*			trans	-59.2	102	169.3	-61.6	169.2	0	0	0	106.8	D411 F415	D411-I413 PolarHBondContact O-N 2.96Å; I413-F415 VanDerWaalsContact C-N 3.35Å; I413-F415 HydrophobicContact CG2-CD2 4.43Å; I413-F415 PolarHBondContact O-N 3.27Å
414	Y	23.5	Very low	40.5	Very low	219 Å²	219	128.4 Å²	128.4	86%	0.859	65%	0.65	S	S	*	*			trans	-59.4	96.5	170.6	-74.1	-91.9	0	0	0	108.5	M412 K416	M412-Y414 WeakPolarHBondContact O-CD2 3.34Å; M412-Y414 PolarHBondContact O-N 3.42Å; Y414-K416 VanDerWaalsContact C-N 3.28Å; Y414-K416 PolarHBondContact O-N 3.44Å
415	F	25.2	Very low	43.6	Very low	196 Å²	196	121.8 Å²	121.8	86%	0.86	62%	0.622	S	S	*	*			trans	-67	90.5	168.6	-107.5	-86.4	0	0	0	108.2	I413 K417	I413-F415 VanDerWaalsContact C-N 3.35Å; I413-F415 HydrophobicContact CG2-CD2 4.43Å; I413-F415 PolarHBondContact O-N 3.27Å; F415-K417 PolarHBondContact O-N 2.58Å
416	K	29.9	Very low	46.5	Very low	170 Å²	170	113.1 Å²	113.1	74%	0.739	60%	0.595	S	S	*	*			trans	-59.4	119.3	173.6	-138.8	175	-176.3	179.5	0	107.4	Y414	Y414-K416 VanDerWaalsContact C-N 3.28Å; Y414-K416 PolarHBondContact O-N 3.44Å
417	K	32.9	Very low	49.5	Very low	134 Å²	134	108.9 Å²	108.9	58%	0.583	56%	0.562	S	S	*	*			trans	-42	143.1	-177.2	-152.8	175.9	-173.7	-179.4	0	112.2	L325 F415 V419	L325-K417 PolarHBondContact O-NZ 3.22Å; F415-K417 PolarHBondContact O-N 2.58Å; K417-V419 PolarHBondContact O-N 2.89Å
418	A	36.4	Very low	52.6	Low	95 Å²	95	103.6 Å²	103.6	79%	0.785	53%	0.528	S	S	*	.			trans	-33	107.2	-175.9	0	0	0	0	0	113.4	N420	A418-N420 PolarHBondContact O-N 3.12Å
419	V	55.5	Low	55.5	Low	42 Å²	42	100.1 Å²	100.1	26%	0.255	51%	0.505	S	S	.	.			trans	-61.2	132.6	174.8	173.3	0	0	0	0	108.2	K417 I421 A424 H678 D681	K417-V419 PolarHBondContact O-N 2.89Å; V419-I421 PolarHBondContact O-N 3Å; V419-A424 HydrophobicContact CG1-CB 4.07Å; V419-H678 VanDerWaalsContact CG2-CE1 3.45Å; V419-H678 WeakPolarHBondContact CG2-CE1 3.49Å; V419-D681 WeakPolarHBondContact CG1-OD2 3.28Å
420	N	73.1	Confident	58.4	Low	98 Å²	98	92.3 Å²	92.3	52%	0.524	47%	0.471	S	S	.	.			trans	-61.4	110	171.2	-179.6	-9	0	0	0	108.5	A418 Q422 A423 A424	A418-N420 PolarHBondContact O-N 3.12Å; N420-Q422 PolarHBondContact O-N 2.94Å; N420-Q422 VanDerWaalsContact O-N 3.12Å; N420-Q422 WeakPolarHBondContact OD1-CB 3.35Å; N420-Q422 PolarHBondContact OD1-N 2.8Å; N420-Q422 VanDerWaalsContact OD1-N 3.08Å; N420-A423 HydrophobicContact CB-CB 3.98Å; N420-A423 WeakPolarHBondContact O-CA 3.46Å; N420-A423 VanDerWaalsContact O-CB 3.31Å; N420-A423 WeakPolarHBondContact O-CB 3.38Å; N420-A423 PolarHBondContact O-N 2.84Å; N420-A424 PolarHBondContact O-N 2.86Å
421	I	81.2	Confident	61.5	Low	60 Å²	60	87.4 Å²	87.4	31%	0.308	44%	0.436	S	S	.	.	H	α-helix	trans	-54.5	-34.4	-177.2	-63	163	0	0	0	111.5	V419 A423 A424 E425 F674 Y677	V419-I421 PolarHBondContact O-N 3Å; I421-A423 VanDerWaalsContact C-N 3.33Å; I421-A424 WeakPolarHBondContact O-CB 3.47Å; I421-A424 PolarHBondContact O-N 2.73Å; I421-E425 WeakPolarHBondContact O-CB 3.34Å; I421-E425 PolarHBondContact O-N 3.16Å; I421-F674 HydrophobicContact CD1-CB 4.07Å; I421-F674 HydrophobicContact CD1-CD1 4.38Å; I421-F674 HydrophobicContact CD1-CD2 3.67Å; I421-F674 HydrophobicContact CD1-CE2 4.04Å; I421-F674 HydrophobicContact CD1-CG 3.82Å; I421-F674 HydrophobicContact CG2-CB 4.48Å; I421-F674 HydrophobicContact CG2-CD1 3.57Å; I421-F674 HydrophobicContact CG2-CE1 3.8Å; I421-F674 HydrophobicContact CG2-CG 4.05Å; I421-F674 HydrophobicContact CG2-CZ 4.45Å; I421-Y677 HydrophobicContact CG2-CD2 4.4Å
422	Q	80.6	Confident	64.7	Low	142 Å²	142	80.4 Å²	80.4	66%	0.664	40%	0.399	S	S	*	.	H	α-helix	trans	-68.5	-34.2	176.7	-62.4	-179.6	-7.8	0	0	112.1	N420 S426	N420-Q422 PolarHBondContact O-N 2.94Å; N420-Q422 VanDerWaalsContact O-N 3.12Å; N420-Q422 WeakPolarHBondContact OD1-CB 3.35Å; N420-Q422 PolarHBondContact OD1-N 2.8Å; N420-Q422 VanDerWaalsContact OD1-N 3.08Å; Q422-S426 VanDerWaalsContact O-CB 3.31Å; Q422-S426 WeakPolarHBondContact O-CB 3.37Å; Q422-S426 PolarHBondContact O-N 2.87Å
423	A	79.4	Confident	68.2	Low	19 Å²	19	72.6 Å²	72.6	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-70.7	-40.2	175.3	0	0	0	0	0	111.2	N420 I421 S426 R427	N420-A423 HydrophobicContact CB-CB 3.98Å; N420-A423 WeakPolarHBondContact O-CA 3.46Å; N420-A423 VanDerWaalsContact O-CB 3.31Å; N420-A423 WeakPolarHBondContact O-CB 3.38Å; N420-A423 PolarHBondContact O-N 2.84Å; I421-A423 VanDerWaalsContact C-N 3.33Å; A423-S426 PolarHBondContact O-N 2.99Å; A423-R427 PolarHBondContact O-N 2.99Å
424	A	84.5	Confident	71.4	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-52	172.1	0	0	0	0	0	111.5	V419 N420 I421 S426 R427 I428 D681	V419-A424 HydrophobicContact CG1-CB 4.07Å; N420-A424 PolarHBondContact O-N 2.86Å; I421-A424 WeakPolarHBondContact O-CB 3.47Å; I421-A424 PolarHBondContact O-N 2.73Å; A424-S426 VanDerWaalsContact C-N 3.26Å; A424-S426 PolarHBondContact O-N 2.71Å; A424-R427 PolarHBondContact O-N 2.92Å; A424-I428 WeakPolarHBondContact O-CG1 3.33Å; A424-I428 PolarHBondContact O-N 2.88Å; A424-D681 WeakPolarHBondContact CA-OD1 3.23Å; A424-D681 HydrophobicContact CB-CB 3.63Å
425	E	88.1	Confident	74.8	Confident	60 Å²	60	55.4 Å²	55.4	28%	0.28	29%	0.285	S	S	.	.	H	α-helix	trans	-56.5	-40.9	175.5	-176.6	-179.1	-173.1	0	0	112.1	I421 T429 K496 Y677	I421-E425 WeakPolarHBondContact O-CB 3.34Å; I421-E425 PolarHBondContact O-N 3.16Å; E425-T429 WeakPolarHBondContact O-CB 3.22Å; E425-T429 PolarHBondContact O-N 3.28Å; E425-T429 PolarHBondContact O-OG1 2.92Å; E425-K496 HydrophobicContact CG-CD 4.17Å; E425-K496 IonicContact OE1-NZ 3.27Å; E425-K496 PolarHBondContact OE1-NZ 3.24Å; E425-Y677 HydrophobicContact CB-CD2 4Å; E425-Y677 HydrophobicContact CB-CE2 4.05Å; E425-Y677 HydrophobicContact CG-CD2 4.27Å; E425-Y677 HydrophobicContact CG-CE2 3.81Å
426	S	84.4	Confident	78	Confident	46 Å²	46	47.9 Å²	47.9	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-43	177.2	-169.5	0	0	0	0	112.4	Q422 A423 A424 T429 K430	Q422-S426 VanDerWaalsContact O-CB 3.31Å; Q422-S426 WeakPolarHBondContact O-CB 3.37Å; Q422-S426 PolarHBondContact O-N 2.87Å; A423-S426 PolarHBondContact O-N 2.99Å; A424-S426 VanDerWaalsContact C-N 3.26Å; A424-S426 PolarHBondContact O-N 2.71Å; S426-T429 WeakPolarHBondContact O-CB 3.47Å; S426-T429 PolarHBondContact O-N 2.99Å; S426-K430 WeakPolarHBondContact O-CG 3.36Å; S426-K430 PolarHBondContact O-N 3.5Å
427	R	87	Confident	81.1	Confident	24 Å²	24	39.8 Å²	39.8	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-45.5	177	-80.1	-172.5	-68.8	-88.9	-0.5	112.3	L315 A423 A424 T429 K430 V431 D681 I684 I688	L315-R427 HydrophobicContact CD2-CB 4.28Å; L315-R427 HydrophobicContact CD2-CG 3.46Å; L315-R427 VanDerWaalsContact CD2-CG 3.46Å; L315-R427 HydrophobicContact CG-CG 3.81Å; A423-R427 PolarHBondContact O-N 2.99Å; A424-R427 PolarHBondContact O-N 2.92Å; R427-T429 VanDerWaalsContact C-N 3.31Å; R427-T429 PolarHBondContact O-N 3.32Å; R427-K430 PolarHBondContact O-N 2.99Å; R427-V431 PolarHBondContact O-N 3.07Å; R427-D681 IonicContact CZ-OD1 2.76Å; R427-D681 VanDerWaalsContact CZ-OD1 3.27Å; R427-D681 IonicContact CZ-OD2 2.79Å; R427-D681 IonicContact NE-OD1 2.85Å; R427-D681 PolarHBondContact NE-OD1 3.23Å; R427-D681 IonicContact NE-OD2 3.29Å; R427-D681 IonicContact NH2-OD1 2.85Å; R427-D681 PolarHBondContact NH2-OD1 3.3Å; R427-D681 IonicContact NH2-OD2 2.8Å; R427-D681 PolarHBondContact NH2-OD2 2.85Å; R427-I684 HydrophobicContact CB-CG2 4.37Å; R427-I688 HydrophobicContact CB-CD1 4.39Å; R427-I688 HydrophobicContact CG-CD1 4.34Å
428	I	90.5	Very high	84	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-57.3	-48.1	175.2	-60.6	163.6	0	0	0	109.7	A424 K430 V431 I432 K496 Y677 A680 I684	A424-I428 WeakPolarHBondContact O-CG1 3.33Å; A424-I428 PolarHBondContact O-N 2.88Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 2.78Å; I428-V431 PolarHBondContact O-N 3.43Å; I428-I432 HydrophobicContact CG2-CD1 4.08Å; I428-I432 VanDerWaalsContact O-CG1 3.31Å; I428-I432 WeakPolarHBondContact O-CG1 3.34Å; I428-I432 PolarHBondContact O-N 2.84Å; I428-I432 VanDerWaalsContact O-N 3.08Å; I428-K496 HydrophobicContact CG2-CB 4.04Å; I428-K496 HydrophobicContact CG2-CG 4Å; I428-Y677 HydrophobicContact CD1-CD1 3.77Å; I428-Y677 HydrophobicContact CD1-CG 4.19Å; I428-A680 HydrophobicContact CD1-CB 3.86Å; I428-A680 HydrophobicContact CG1-CB 4.44Å; I428-I684 HydrophobicContact CG1-CG1 4.29Å
429	T	90.3	Very high	86.8	Confident	39 Å²	39	30.7 Å²	30.7	24%	0.239	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-43.4	177.9	-56.4	0	0	0	0	112	E425 S426 R427 I432 A433 M492 K496	E425-T429 WeakPolarHBondContact O-CB 3.22Å; E425-T429 PolarHBondContact O-N 3.28Å; E425-T429 PolarHBondContact O-OG1 2.92Å; S426-T429 WeakPolarHBondContact O-CB 3.47Å; S426-T429 PolarHBondContact O-N 2.99Å; R427-T429 VanDerWaalsContact C-N 3.31Å; R427-T429 PolarHBondContact O-N 3.32Å; T429-I432 PolarHBondContact O-N 2.88Å; T429-A433 WeakPolarHBondContact O-CB 3.48Å; T429-A433 PolarHBondContact O-N 2.98Å; T429-M492 HydrophobicContact CG2-CE 3.87Å; T429-K496 WeakPolarHBondContact OG1-CD 3.39Å
430	K	88.1	Confident	88.7	Confident	31 Å²	31	28.8 Å²	28.8	14%	0.135	15%	0.149	C	C	.	.	H	α-helix	trans	-70.8	-37.8	-178.4	-71.8	-173.4	-178.7	-163.8	0	112.7	S311 L312 L315 S426 R427 I428 A433 I434	S311-K430 PolarHBondContact O-NZ 3.5Å; L312-K430 HydrophobicContact CD2-CB 3.97Å; L312-K430 HydrophobicContact CD2-CD 4.39Å; L312-K430 HydrophobicContact CD2-CG 3.73Å; L315-K430 HydrophobicContact CB-CD 3.5Å; L315-K430 VanDerWaalsContact CB-NZ 3.35Å; L315-K430 HydrophobicContact CD2-CD 3.63Å; L315-K430 HydrophobicContact CD2-CG 4.49Å; L315-K430 HydrophobicContact CG-CD 4.21Å; S426-K430 WeakPolarHBondContact O-CG 3.36Å; S426-K430 PolarHBondContact O-N 3.5Å; R427-K430 PolarHBondContact O-N 2.99Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 2.78Å; K430-A433 CarbonylContact O-C 3.52Å; K430-A433 WeakPolarHBondContact O-CB 3.48Å; K430-A433 PolarHBondContact O-N 2.88Å; K430-A433 VanDerWaalsContact O-N 3.14Å; K430-I434 VanDerWaalsContact O-CG1 3.31Å; K430-I434 WeakPolarHBondContact O-CG1 3.38Å; K430-I434 PolarHBondContact O-N 2.9Å
431	V	91.4	Very high	89.8	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.4	-38.9	176	166.4	0	0	0	0	111.8	R427 I428 A433 I434 K435 L475 L479 I684 L687 I688	R427-V431 PolarHBondContact O-N 3.07Å; I428-V431 PolarHBondContact O-N 3.43Å; V431-A433 VanDerWaalsContact C-N 3.28Å; V431-A433 PolarHBondContact O-N 2.58Å; V431-I434 PolarHBondContact O-N 2.73Å; V431-K435 PolarHBondContact O-N 3.09Å; V431-L475 HydrophobicContact CG1-CD2 4.3Å; V431-L479 HydrophobicContact CG1-CD1 3.64Å; V431-L479 HydrophobicContact CG1-CD2 4.37Å; V431-L479 HydrophobicContact CG1-CG 4.47Å; V431-I684 HydrophobicContact CB-CD1 4.37Å; V431-I684 HydrophobicContact CB-CG2 4.21Å; V431-I684 HydrophobicContact CG1-CD1 3.93Å; V431-I684 HydrophobicContact CG2-CG2 3.7Å; V431-L687 HydrophobicContact CG1-CD2 4.04Å; V431-I688 HydrophobicContact CG2-CD1 3.77Å; V431-I688 HydrophobicContact CG2-CG1 3.6Å
432	I	92.7	Very high	90.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-45	169.6	-65.8	171.1	0	0	0	110.5	I428 T429 K435 Y436 V483 M485 M492 K496 A499	I428-I432 HydrophobicContact CG2-CD1 4.08Å; I428-I432 VanDerWaalsContact O-CG1 3.31Å; I428-I432 WeakPolarHBondContact O-CG1 3.34Å; I428-I432 PolarHBondContact O-N 2.84Å; I428-I432 VanDerWaalsContact O-N 3.08Å; T429-I432 PolarHBondContact O-N 2.88Å; I432-K435 PolarHBondContact O-N 3.47Å; I432-Y436 WeakPolarHBondContact O-CB 3.12Å; I432-Y436 PolarHBondContact O-N 2.91Å; I432-V483 HydrophobicContact CB-CG1 4.16Å; I432-V483 HydrophobicContact CD1-CG1 4.25Å; I432-V483 HydrophobicContact CG1-CG1 3.69Å; I432-V483 HydrophobicContact CG2-CG1 3.7Å; I432-M485 HydrophobicContact CB-SD 4.42Å; I432-M485 HydrophobicContact CG2-CG 4.46Å; I432-M485 HydrophobicContact CG2-SD 3.76Å; I432-M492 HydrophobicContact CB-CE 4.45Å; I432-M492 HydrophobicContact CD1-CE 4.14Å; I432-M492 HydrophobicContact CG2-CE 4.12Å; I432-K496 HydrophobicContact CD1-CG 3.87Å; I432-A499 HydrophobicContact CD1-CB 4Å; I432-A499 HydrophobicContact CG1-CB 4.18Å
433	A	92.8	Very high	91.1	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-68.2	-33.3	179.5	0	0	0	0	0	113.3	L312 T429 K430 V431 Y436 M437 M485	L312-A433 HydrophobicContact CD1-CB 3.76Å; L312-A433 HydrophobicContact CD2-CB 3.58Å; L312-A433 HydrophobicContact CG-CB 4.34Å; T429-A433 WeakPolarHBondContact O-CB 3.48Å; T429-A433 PolarHBondContact O-N 2.98Å; K430-A433 CarbonylContact O-C 3.52Å; K430-A433 WeakPolarHBondContact O-CB 3.48Å; K430-A433 PolarHBondContact O-N 2.88Å; K430-A433 VanDerWaalsContact O-N 3.14Å; V431-A433 VanDerWaalsContact C-N 3.28Å; V431-A433 PolarHBondContact O-N 2.58Å; A433-Y436 PolarHBondContact O-N 2.69Å; A433-M437 VanDerWaalsContact O-CB 3.3Å; A433-M437 WeakPolarHBondContact O-CB 3.37Å; A433-M437 PolarHBondContact O-N 3.14Å; A433-M485 HydrophobicContact CB-CE 4.45Å; A433-M485 HydrophobicContact CB-CG 4.28Å; A433-M485 HydrophobicContact CB-SD 3.73Å
434	I	92.7	Very high	91.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-47	173.8	-72.2	166.6	0	0	0	110.2	L312 C316 K430 V431 Y436 M437 L438 L475 F698	L312-I434 HydrophobicContact CB-CG1 4.22Å; L312-I434 HydrophobicContact CD1-CG1 4.46Å; C316-I434 WeakPolarHBondContact SG-CD1 3.38Å; K430-I434 VanDerWaalsContact O-CG1 3.31Å; K430-I434 WeakPolarHBondContact O-CG1 3.38Å; K430-I434 PolarHBondContact O-N 2.9Å; V431-I434 PolarHBondContact O-N 2.73Å; I434-Y436 VanDerWaalsContact C-N 3.32Å; I434-Y436 PolarHBondContact O-N 2.91Å; I434-M437 WeakPolarHBondContact O-CB 3.25Å; I434-M437 PolarHBondContact O-N 3.42Å; I434-L438 HydrophobicContact CG2-CD1 4.44Å; I434-L438 WeakPolarHBondContact O-CG 3.48Å; I434-L438 PolarHBondContact O-N 3.38Å; I434-L475 HydrophobicContact CG2-CD1 4Å; I434-F698 HydrophobicContact CG2-CE1 3.65Å; I434-F698 HydrophobicContact CG2-CZ 3.91Å
435	K	93.7	Very high	92.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	13%	0.133	C	C	.	.	H	α-helix	trans	-57.8	-47.8	175	-176.8	-89.2	178.6	-170.5	0	110.7	V431 I432 M437 L438 D439 L472 L475 L479 K481 V483	V431-K435 PolarHBondContact O-N 3.09Å; I432-K435 PolarHBondContact O-N 3.47Å; K435-M437 PolarHBondContact O-N 2.96Å; K435-L438 PolarHBondContact O-N 3.27Å; K435-D439 WeakPolarHBondContact CE-OD2 3.43Å; K435-D439 IonicContact NZ-OD1 3.58Å; K435-D439 IonicContact NZ-OD2 3.63Å; K435-D439 PolarHBondContact NZ-OD2 3.03Å; K435-D439 PolarHBondContact O-N 2.79Å; K435-L472 HydrophobicContact CG-CD1 3.92Å; K435-L475 HydrophobicContact CB-CD1 4.08Å; K435-L479 HydrophobicContact CB-CD1 4.11Å; K435-L479 HydrophobicContact CG-CD1 4.37Å; K435-K481 WeakPolarHBondContact CE-O 3.42Å; K435-K481 PolarHBondContact NZ-O 3.33Å; K435-V483 WeakPolarHBondContact CD-O 3.46Å; K435-V483 PolarHBondContact NZ-O 3.04Å
436	Y	93.9	Very high	92.9	Very high	37 Å²	37	29.2 Å²	29.2	15%	0.145	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-42.3	177.1	176.2	-114.4	0	0	0	112.5	Q305 I432 A433 I434 L438 D439 L440 M485	Q305-Y436 WeakPolarHBondContact O-CE1 3.32Å; Q305-Y436 PolarHBondContact OE1-OH 2.98Å; I432-Y436 WeakPolarHBondContact O-CB 3.12Å; I432-Y436 PolarHBondContact O-N 2.91Å; A433-Y436 PolarHBondContact O-N 2.69Å; I434-Y436 VanDerWaalsContact C-N 3.32Å; I434-Y436 PolarHBondContact O-N 2.91Å; Y436-L438 VanDerWaalsContact C-N 3.31Å; Y436-L438 PolarHBondContact O-N 2.6Å; Y436-D439 WeakPolarHBondContact O-CB 3.26Å; Y436-D439 PolarHBondContact O-N 2.65Å; Y436-L440 HydrophobicContact CD1-CD1 4.28Å; Y436-L440 HydrophobicContact CE1-CD1 3.76Å; Y436-L440 HydrophobicContact CE1-CG 4.31Å; Y436-L440 HydrophobicContact CE2-CD2 4.1Å; Y436-L440 HydrophobicContact CE2-CG 4.32Å; Y436-L440 WeakPolarHBondContact O-CG 3.37Å; Y436-L440 PolarHBondContact O-N 3.48Å; Y436-L440 VanDerWaalsContact O-N 3.14Å; Y436-M485 HydrophobicContact CD1-CB 4.07Å; Y436-M485 HydrophobicContact CD1-CG 3.73Å; Y436-M485 HydrophobicContact CE1-CB 4.38Å; Y436-M485 HydrophobicContact CE1-CG 4.45Å; Y436-M485 HydrophobicContact CG-CB 4.31Å; Y436-M485 HydrophobicContact CG-CG 4Å
437	M	94.1	Very high	93.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.3	-44.1	174.8	-179.3	-159.4	-51.5	0	0	111.7	F306 P307 I309 L312 A433 I434 K435 L440 V441 L701	F306-M437 HydrophobicContact CD1-CG 3.88Å; F306-M437 HydrophobicContact CE1-CG 3.76Å; P307-M437 HydrophobicContact CG-CB 4Å; P307-M437 HydrophobicContact CG-CE 4.16Å; P307-M437 HydrophobicContact CG-CG 4.49Å; I309-M437 HydrophobicContact CB-CE 4.08Å; I309-M437 HydrophobicContact CB-SD 4.42Å; I309-M437 HydrophobicContact CD1-SD 4.2Å; I309-M437 HydrophobicContact CG1-CE 3.8Å; I309-M437 HydrophobicContact CG1-SD 3.84Å; I309-M437 HydrophobicContact CG2-CE 3.94Å; I309-M437 HydrophobicContact CG2-SD 3.99Å; L312-M437 HydrophobicContact CB-CE 4.34Å; L312-M437 HydrophobicContact CD1-CE 3.23Å; L312-M437 HydrophobicContact CG-CE 4.35Å; A433-M437 VanDerWaalsContact O-CB 3.3Å; A433-M437 WeakPolarHBondContact O-CB 3.37Å; A433-M437 PolarHBondContact O-N 3.14Å; I434-M437 WeakPolarHBondContact O-CB 3.25Å; I434-M437 PolarHBondContact O-N 3.42Å; K435-M437 PolarHBondContact O-N 2.96Å; M437-L440 WeakPolarHBondContact O-CB 3.39Å; M437-L440 PolarHBondContact O-N 3.16Å; M437-L440 VanDerWaalsContact O-N 3.16Å; M437-V441 PolarHBondContact O-N 3Å; M437-L701 HydrophobicContact CG-CD2 4.04Å; M437-L701 HydrophobicContact SD-CD2 3.72Å
438	L	94.4	Very high	93.8	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-36.7	177.7	-68.6	176.1	0	0	0	112.3	I434 K435 Y436 L440 V441 Y468 V471 L472 L475 F698	I434-L438 HydrophobicContact CG2-CD1 4.44Å; I434-L438 WeakPolarHBondContact O-CG 3.48Å; I434-L438 PolarHBondContact O-N 3.38Å; K435-L438 PolarHBondContact O-N 3.27Å; Y436-L438 VanDerWaalsContact C-N 3.31Å; Y436-L438 PolarHBondContact O-N 2.6Å; L438-L440 PolarHBondContact O-N 3.11Å; L438-V441 HydrophobicContact CD2-CG2 4.45Å; L438-V441 WeakPolarHBondContact O-CB 3.27Å; L438-V441 PolarHBondContact O-N 3.22Å; L438-V441 VanDerWaalsContact O-N 3.14Å; L438-Y468 HydrophobicContact CD2-CD1 3.69Å; L438-Y468 HydrophobicContact CD2-CE1 4.47Å; L438-V471 HydrophobicContact CD1-CB 4.3Å; L438-V471 HydrophobicContact CD1-CG1 3.78Å; L438-L472 HydrophobicContact CB-CB 4.48Å; L438-L472 HydrophobicContact CB-CD1 4.13Å; L438-L472 HydrophobicContact CD1-CB 4.42Å; L438-L475 HydrophobicContact CD1-CD1 3.63Å; L438-F698 HydrophobicContact CD1-CE1 4.15Å; L438-F698 HydrophobicContact CD1-CZ 4.41Å; L438-F698 HydrophobicContact CD2-CE1 3.98Å; L438-F698 HydrophobicContact CG-CE1 4.2Å
439	D	94.1	Very high	93.8	Very high	33 Å²	33	27.9 Å²	27.9	18%	0.176	14%	0.144	C	C	.	.	H	α-helix	trans	-58.7	-37	171.7	-66.1	-34.5	0	0	0	111.7	K435 Y436 V441 R484	K435-D439 WeakPolarHBondContact CE-OD2 3.43Å; K435-D439 IonicContact NZ-OD1 3.58Å; K435-D439 IonicContact NZ-OD2 3.63Å; K435-D439 PolarHBondContact NZ-OD2 3.03Å; K435-D439 PolarHBondContact O-N 2.79Å; Y436-D439 WeakPolarHBondContact O-CB 3.26Å; Y436-D439 PolarHBondContact O-N 2.65Å; D439-V441 VanDerWaalsContact C-N 3.3Å; D439-V441 PolarHBondContact O-N 3.49Å; D439-R484 IonicContact OD2-NH1 3.14Å
440	L	95.2	Very high	93.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-70.8	-22.6	179.2	-63.9	179.3	0	0	0	113.1	Q305 F306 Y436 M437 L438 K442 L443 L444	Q305-L440 HydrophobicContact CB-CD1 3.93Å; Q305-L440 HydrophobicContact CB-CD2 4.26Å; Q305-L440 WeakPolarHBondContact O-CD1 3.21Å; F306-L440 HydrophobicContact CD2-CB 4.2Å; F306-L440 HydrophobicContact CD2-CD1 3.84Å; F306-L440 HydrophobicContact CE1-CB 4.33Å; F306-L440 HydrophobicContact CE2-CB 3.6Å; F306-L440 HydrophobicContact CE2-CD1 4.12Å; F306-L440 HydrophobicContact CG-CD1 4.06Å; F306-L440 HydrophobicContact CZ-CB 3.67Å; Y436-L440 HydrophobicContact CD1-CD1 4.28Å; Y436-L440 HydrophobicContact CE1-CD1 3.76Å; Y436-L440 HydrophobicContact CE1-CG 4.31Å; Y436-L440 HydrophobicContact CE2-CD2 4.1Å; Y436-L440 HydrophobicContact CE2-CG 4.32Å; Y436-L440 WeakPolarHBondContact O-CG 3.37Å; Y436-L440 PolarHBondContact O-N 3.48Å; Y436-L440 VanDerWaalsContact O-N 3.14Å; M437-L440 WeakPolarHBondContact O-CB 3.39Å; M437-L440 PolarHBondContact O-N 3.16Å; M437-L440 VanDerWaalsContact O-N 3.16Å; L438-L440 PolarHBondContact O-N 3.11Å; L440-K442 VanDerWaalsContact C-N 3.33Å; L440-K442 PolarHBondContact O-N 2.88Å; L440-L443 HydrophobicContact CD2-CD1 3.98Å; L440-L443 PolarHBondContact O-N 3.21Å; L440-L443 VanDerWaalsContact O-N 3.17Å; L440-L444 WeakPolarHBondContact O-CB 3.47Å; L440-L444 PolarHBondContact O-N 3.14Å
441	V	96.4	Very high	94.2	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-46	-179.9	175.7	0	0	0	0	110.8	M437 L438 D439 L443 L444 Y445 L463 Y468 L701	M437-V441 PolarHBondContact O-N 3Å; L438-V441 HydrophobicContact CD2-CG2 4.45Å; L438-V441 WeakPolarHBondContact O-CB 3.27Å; L438-V441 PolarHBondContact O-N 3.22Å; L438-V441 VanDerWaalsContact O-N 3.14Å; D439-V441 VanDerWaalsContact C-N 3.3Å; D439-V441 PolarHBondContact O-N 3.49Å; V441-L443 VanDerWaalsContact C-N 3.33Å; V441-L443 PolarHBondContact O-N 3.22Å; V441-L444 PolarHBondContact O-N 3.48Å; V441-Y445 PolarHBondContact O-N 3.5Å; V441-L463 HydrophobicContact CG1-CD2 4.01Å; V441-Y468 HydrophobicContact CG1-CD2 3.77Å; V441-Y468 HydrophobicContact CG1-CE2 4.04Å; V441-Y468 HydrophobicContact CG1-CG 4.04Å; V441-Y468 HydrophobicContact CG2-CD1 4.38Å; V441-L701 HydrophobicContact CG2-CD1 3.87Å; V441-L701 HydrophobicContact CG2-CD2 3.69Å; V441-L701 HydrophobicContact CG2-CG 4.46Å
442	K	94.3	Very high	94.3	Very high	141 Å²	141	40.3 Å²	40.3	61%	0.613	20%	0.203	S	C	*	.	H	α-helix	trans	-64.4	-39	177.5	-174.5	173	-176.9	173.1	0	112	L440 L444 N446	L440-K442 VanDerWaalsContact C-N 3.33Å; L440-K442 PolarHBondContact O-N 2.88Å; K442-L444 VanDerWaalsContact C-N 3.34Å; K442-N446 VanDerWaalsContact O-CG 3.24Å; K442-N446 PolarHBondContact O-N 2.88Å; K442-N446 VanDerWaalsContact O-N 3.07Å; K442-N446 PolarHBondContact O-ND2 3.31Å
443	L	95.8	Very high	94.4	Very high	82 Å²	82	41.3 Å²	41.3	43%	0.429	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-39.9	175.9	-61.7	-177.8	0	0	0	111.3	I302 L440 V441 N446 A447	I302-L443 HydrophobicContact CD1-CB 4.01Å; I302-L443 HydrophobicContact CD1-CD1 4.44Å; I302-L443 HydrophobicContact CG1-CB 4.45Å; I302-L443 HydrophobicContact CG2-CB 4.35Å; L440-L443 HydrophobicContact CD2-CD1 3.98Å; L440-L443 PolarHBondContact O-N 3.21Å; L440-L443 VanDerWaalsContact O-N 3.17Å; V441-L443 VanDerWaalsContact C-N 3.33Å; V441-L443 PolarHBondContact O-N 3.22Å; L443-N446 PolarHBondContact O-N 3.03Å; L443-A447 VanDerWaalsContact O-CB 3.24Å; L443-A447 WeakPolarHBondContact O-CB 3.37Å; L443-A447 PolarHBondContact O-N 3Å
444	L	96.8	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.5	-45	177.6	-173.1	61.1	0	0	0	111.4	I299 I302 L303 F306 L440 V441 K442 N446 A447 M448 L463 V705 L708	I299-L444 HydrophobicContact CG2-CD1 4.38Å; I302-L444 HydrophobicContact CB-CD1 4.24Å; I302-L444 HydrophobicContact CG2-CB 3.93Å; I302-L444 HydrophobicContact CG2-CD1 4.07Å; L303-L444 HydrophobicContact CD2-CD1 4.33Å; L303-L444 HydrophobicContact CD2-CD2 4.4Å; L303-L444 HydrophobicContact CG-CD1 4.42Å; F306-L444 HydrophobicContact CE2-CB 4.33Å; F306-L444 HydrophobicContact CE2-CD2 4.02Å; F306-L444 HydrophobicContact CZ-CD2 4.09Å; L440-L444 WeakPolarHBondContact O-CB 3.47Å; L440-L444 PolarHBondContact O-N 3.14Å; V441-L444 PolarHBondContact O-N 3.48Å; K442-L444 VanDerWaalsContact C-N 3.34Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.41Å; L444-A447 PolarHBondContact O-N 3.29Å; L444-M448 WeakPolarHBondContact O-CG 3.4Å; L444-M448 PolarHBondContact O-N 2.98Å; L444-M448 VanDerWaalsContact O-N 3.11Å; L444-L463 HydrophobicContact CD2-CD1 3.98Å; L444-L463 HydrophobicContact CD2-CD2 4.2Å; L444-L463 HydrophobicContact CG-CD1 4Å; L444-V705 HydrophobicContact CD2-CG2 4.29Å; L444-L708 HydrophobicContact CD1-CD2 3.89Å; L444-L708 HydrophobicContact CD2-CD2 4.23Å; L444-L708 HydrophobicContact CG-CD2 4.23Å
445	Y	96.7	Very high	94.7	Very high	64 Å²	64	46.2 Å²	46.2	25%	0.251	24%	0.238	S	C	.	.	H	α-helix	trans	-55.2	-46.3	174.2	172.7	-94	0	0	0	111.8	V441 M448 K460 L463 H464	V441-Y445 PolarHBondContact O-N 3.5Å; Y445-M448 PolarHBondContact O-N 3.3Å; Y445-K460 HydrophobicContact CD2-CG 3.73Å; Y445-K460 HydrophobicContact CE2-CD 4.17Å; Y445-K460 HydrophobicContact CE2-CG 3.47Å; Y445-K460 VanDerWaalsContact CE2-CG 3.47Å; Y445-L463 HydrophobicContact CD2-CB 4.29Å; Y445-H464 HydrophobicContact CD2-CB 4.11Å; Y445-H464 HydrophobicContact CE2-CB 3.72Å; Y445-H464 AromaticContact CE2-CD2 3.77Å; Y445-H464 AromaticContact CZ-CD2 3.58Å
446	N	95.8	Very high	94.8	Very high	97 Å²	97	46.1 Å²	46.1	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-67.7	-40.5	177.8	-68.7	-20.3	0	0	0	112.1	K442 L443 L444 M448 G449	K442-N446 VanDerWaalsContact O-CG 3.24Å; K442-N446 PolarHBondContact O-N 2.88Å; K442-N446 VanDerWaalsContact O-N 3.07Å; K442-N446 PolarHBondContact O-ND2 3.31Å; L443-N446 PolarHBondContact O-N 3.03Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.41Å; N446-M448 PolarHBondContact O-N 3.21Å; N446-G449 PolarHBondContact O-N 3.18Å; N446-G449 VanDerWaalsContact O-N 3.16Å
447	A	95.5	Very high	95	Very high	16 Å²	16	49.9 Å²	49.9	13%	0.132	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-25.8	-179.9	0	0	0	0	0	113.2	N298 I302 L443 L444 G449	N298-A447 HydrophobicContact CB-CB 4.1Å; I302-A447 HydrophobicContact CG1-CB 4.01Å; L443-A447 VanDerWaalsContact O-CB 3.24Å; L443-A447 WeakPolarHBondContact O-CB 3.37Å; L443-A447 PolarHBondContact O-N 3Å; L444-A447 PolarHBondContact O-N 3.29Å; A447-G449 VanDerWaalsContact C-N 3.27Å; A447-G449 PolarHBondContact O-N 2.89Å
448	M	95	Very high	95.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.6	175.8	-71.6	-177.5	72	0	0	113.4	T295 I299 L444 Y445 N446 V451 L456 K460 L463 L708	T295-M448 WeakPolarHBondContact CG2-O 3.42Å; I299-M448 HydrophobicContact CD1-CG 4.07Å; I299-M448 HydrophobicContact CG1-CG 4.14Å; L444-M448 WeakPolarHBondContact O-CG 3.4Å; L444-M448 PolarHBondContact O-N 2.98Å; L444-M448 VanDerWaalsContact O-N 3.11Å; Y445-M448 PolarHBondContact O-N 3.3Å; N446-M448 PolarHBondContact O-N 3.21Å; M448-V451 HydrophobicContact CB-CG1 4.36Å; M448-V451 HydrophobicContact CE-CG1 4.33Å; M448-V451 HydrophobicContact CE-CG2 4.39Å; M448-V451 VanDerWaalsContact O-CG1 3.26Å; M448-V451 WeakPolarHBondContact O-CG1 3.19Å; M448-L456 HydrophobicContact CE-CB 4.22Å; M448-L456 HydrophobicContact CE-CD2 4.32Å; M448-L456 WeakPolarHBondContact CE-O 3.32Å; M448-K460 HydrophobicContact CE-CB 4Å; M448-K460 HydrophobicContact SD-CB 4.23Å; M448-L463 HydrophobicContact SD-CD1 3.62Å; M448-L708 HydrophobicContact CE-CD1 4.23Å; M448-L708 HydrophobicContact CG-CD2 4.33Å; M448-L708 HydrophobicContact SD-CD2 4.05Å
449	G	91.1	Very high	95.2	Very high	27 Å²	27	54.5 Å²	54.5	28%	0.278	28%	0.276	S	S	.	.			trans	57	-153.9	-178.5	0	0	0	0	0	113.1	N446 A447 V451 K460	N446-G449 PolarHBondContact O-N 3.18Å; N446-G449 VanDerWaalsContact O-N 3.16Å; A447-G449 VanDerWaalsContact C-N 3.27Å; A447-G449 PolarHBondContact O-N 2.89Å; G449-V451 PolarHBondContact O-N 3.06Å; G449-V451 VanDerWaalsContact O-N 3.16Å; G449-K460 WeakPolarHBondContact O-CE 3.24Å; G449-K460 PolarHBondContact O-NZ 3.34Å
450	D	91.7	Very high	95.3	Very high	149 Å²	149	54.6 Å²	54.6	80%	0.797	28%	0.275	S	S	*	.	S	Bend	trans	-88.8	76	-176.4	-69.9	-28	0	0	0	113	K460	D450-K460 IonicContact OD1-NZ 3.6Å
451	V	93.9	Very high	95.3	Very high	18 Å²	18	60.3 Å²	60.3	11%	0.109	30%	0.301	C	S	.	.			trans	-71.4	139.5	174.9	-60.5	0	0	0	0	112.9	E288 M448 G449 L456 K460	E288-V451 WeakPolarHBondContact OE1-CA 3.49Å; M448-V451 HydrophobicContact CB-CG1 4.36Å; M448-V451 HydrophobicContact CE-CG1 4.33Å; M448-V451 HydrophobicContact CE-CG2 4.39Å; M448-V451 VanDerWaalsContact O-CG1 3.26Å; M448-V451 WeakPolarHBondContact O-CG1 3.19Å; G449-V451 PolarHBondContact O-N 3.06Å; G449-V451 VanDerWaalsContact O-N 3.16Å; V451-L456 HydrophobicContact CB-CB 3.78Å; V451-L456 HydrophobicContact CB-CD1 4.39Å; V451-L456 HydrophobicContact CG1-CB 4.02Å; V451-L456 HydrophobicContact CG1-CD1 4.06Å; V451-L456 HydrophobicContact CG2-CB 3.91Å; V451-K460 HydrophobicContact CG2-CB 4.1Å; V451-K460 HydrophobicContact CG2-CD 3.86Å
452	K	93.8	Very high	95.3	Very high	164 Å²	164	62.7 Å²	62.7	71%	0.713	31%	0.314	S	S	*	.			trans	-108.9	-31.7	-175.6	-63	178.7	-176.8	174.7	0	112.6	E288 R457	E288-K452 PolarHBondContact OE1-N 3Å; E288-K452 PolarHBondContact OE2-N 3.45Å; K452-R457 PolarHBondContact O-NH2 3.19Å
453	T	95.9	Very high	95.4	Very high	22 Å²	22	56.3 Å²	56.3	14%	0.135	29%	0.286	C	S	.	.	S	Bend	trans	-68.3	146.6	-177.1	57.4	0	0	0	0	111.9	A284 S285 E288 L455 L456 R457	A284-T453 HydrophobicContact CB-CG2 3.93Å; A284-T453 WeakPolarHBondContact O-CG2 3.36Å; S285-T453 PolarHBondContact OG-OG1 3.05Å; E288-T453 HydrophobicContact CB-CG2 3.88Å; E288-T453 WeakPolarHBondContact OE2-CB 3.29Å; E288-T453 WeakPolarHBondContact OE2-CG2 3.37Å; E288-T453 PolarHBondContact OE2-N 3.46Å; E288-T453 PolarHBondContact OE2-OG1 3.26Å; T453-L455 VanDerWaalsContact C-N 3.34Å; T453-L455 PolarHBondContact O-N 2.96Å; T453-L456 PolarHBondContact O-N 3.45Å; T453-L456 WeakPolarHBondContact OG1-CB 3.35Å; T453-L456 WeakPolarHBondContact OG1-CG 3.3Å; T453-R457 VanDerWaalsContact O-CB 3.24Å; T453-R457 WeakPolarHBondContact O-CB 3.5Å; T453-R457 PolarHBondContact O-N 3.44Å
454	T	95	Very high	95.3	Very high	72 Å²	72	58.2 Å²	58.2	44%	0.442	29%	0.293	S	S	.	.	H	α-helix	trans	-54.5	-47.1	-176.4	46.8	0	0	0	0	112.2	N281 T458	N281-T454 PolarHBondContact OD1-OG1 3.44Å; T454-T458 WeakPolarHBondContact O-CB 3.34Å; T454-T458 PolarHBondContact O-N 3.17Å; T454-T458 PolarHBondContact O-OG1 3.5Å
455	L	95.2	Very high	95.1	Very high	35 Å²	35	60.2 Å²	60.2	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-69.2	-45.2	-177.1	-179.7	61.5	0	0	0	112.4	R282 S285 T453 T458 Y459 L711	R282-L455 HydrophobicContact CG-CD2 4.08Å; S285-L455 WeakPolarHBondContact OG-CB 3.42Å; T453-L455 VanDerWaalsContact C-N 3.34Å; T453-L455 PolarHBondContact O-N 2.96Å; L455-T458 WeakPolarHBondContact O-CB 3.37Å; L455-T458 PolarHBondContact O-N 2.94Å; L455-Y459 HydrophobicContact CD1-CE1 4Å; L455-Y459 HydrophobicContact CD1-CE2 4.18Å; L455-Y459 HydrophobicContact CG-CE2 4.09Å; L455-Y459 PolarHBondContact O-N 3.32Å; L455-L711 HydrophobicContact CD2-CD1 3.76Å; L455-L711 HydrophobicContact CD2-CD2 4.33Å; L455-L711 HydrophobicContact CG-CD1 4.22Å
456	L	96.8	Very high	94.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-37.1	175.9	-66.9	-179.3	0	0	0	112.1	E288 L289 M448 V451 T453 T458 Y459 K460 L708 L711	E288-L456 HydrophobicContact CG-CD1 4.32Å; L289-L456 HydrophobicContact CD2-CD1 4.14Å; L289-L456 HydrophobicContact CG-CD1 4.05Å; M448-L456 HydrophobicContact CE-CB 4.22Å; M448-L456 HydrophobicContact CE-CD2 4.32Å; M448-L456 WeakPolarHBondContact CE-O 3.32Å; V451-L456 HydrophobicContact CB-CB 3.78Å; V451-L456 HydrophobicContact CB-CD1 4.39Å; V451-L456 HydrophobicContact CG1-CB 4.02Å; V451-L456 HydrophobicContact CG1-CD1 4.06Å; V451-L456 HydrophobicContact CG2-CB 3.91Å; T453-L456 PolarHBondContact O-N 3.45Å; T453-L456 WeakPolarHBondContact OG1-CB 3.35Å; T453-L456 WeakPolarHBondContact OG1-CG 3.3Å; L456-T458 VanDerWaalsContact C-N 3.33Å; L456-Y459 HydrophobicContact CD2-CD2 4.33Å; L456-Y459 PolarHBondContact O-N 3.21Å; L456-K460 WeakPolarHBondContact O-CB 3.42Å; L456-K460 PolarHBondContact O-N 3.37Å; L456-L708 HydrophobicContact CD2-CD1 3.67Å; L456-L711 HydrophobicContact CD2-CD1 3.94Å
457	R	96.7	Very high	94.8	Very high	115 Å²	115	60.5 Å²	60.5	43%	0.434	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-44	173.9	-167.9	-169.3	-52.5	147.5	4	111.2	K452 T453 Y459 K460 E461	K452-R457 PolarHBondContact O-NH2 3.19Å; T453-R457 VanDerWaalsContact O-CB 3.24Å; T453-R457 WeakPolarHBondContact O-CB 3.5Å; T453-R457 PolarHBondContact O-N 3.44Å; R457-Y459 VanDerWaalsContact C-N 3.33Å; R457-Y459 PolarHBondContact O-N 3.38Å; R457-K460 PolarHBondContact O-N 2.92Å; R457-K460 VanDerWaalsContact O-N 3.15Å; R457-E461 WeakPolarHBondContact CD-OE1 3.2Å; R457-E461 HydrophobicContact CG-CG 4.43Å; R457-E461 WeakPolarHBondContact CG-OE1 3.26Å; R457-E461 WeakPolarHBondContact O-CB 3.44Å; R457-E461 VanDerWaalsContact O-CG 3.32Å; R457-E461 WeakPolarHBondContact O-CG 2.94Å; R457-E461 PolarHBondContact O-N 3.35Å
458	T	96.8	Very high	94.8	Very high	64 Å²	64	60.2 Å²	60.2	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-58	-46.7	175	-55.1	0	0	0	0	110.6	T454 L455 L456 K460 E461 L462	T454-T458 WeakPolarHBondContact O-CB 3.34Å; T454-T458 PolarHBondContact O-N 3.17Å; T454-T458 PolarHBondContact O-OG1 3.5Å; L455-T458 WeakPolarHBondContact O-CB 3.37Å; L455-T458 PolarHBondContact O-N 2.94Å; L456-T458 VanDerWaalsContact C-N 3.33Å; T458-K460 PolarHBondContact O-N 3.16Å; T458-E461 PolarHBondContact O-N 2.91Å; T458-L462 HydrophobicContact CG2-CD1 4.24Å; T458-L462 WeakPolarHBondContact O-CB 3.43Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.39Å; T458-L462 PolarHBondContact O-N 3.02Å
459	Y	97.1	Very high	94.7	Very high	40 Å²	40	64.7 Å²	64.7	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-42.6	175.1	-68	-18.9	0	0	0	112.8	L455 L456 R457 L462 L463 V704 L708 L711	L455-Y459 HydrophobicContact CD1-CE1 4Å; L455-Y459 HydrophobicContact CD1-CE2 4.18Å; L455-Y459 HydrophobicContact CG-CE2 4.09Å; L455-Y459 PolarHBondContact O-N 3.32Å; L456-Y459 HydrophobicContact CD2-CD2 4.33Å; L456-Y459 PolarHBondContact O-N 3.21Å; R457-Y459 VanDerWaalsContact C-N 3.33Å; R457-Y459 PolarHBondContact O-N 3.38Å; Y459-L462 PolarHBondContact O-N 2.59Å; Y459-L463 VanDerWaalsContact O-CG 3.28Å; Y459-L463 WeakPolarHBondContact O-CG 3Å; Y459-L463 PolarHBondContact O-N 3.47Å; Y459-V704 HydrophobicContact CD1-CB 4.44Å; Y459-V704 HydrophobicContact CD1-CG1 4.12Å; Y459-V704 HydrophobicContact CD1-CG2 4.1Å; Y459-V704 HydrophobicContact CG-CG1 4.02Å; Y459-L708 HydrophobicContact CD2-CB 4.25Å; Y459-L708 HydrophobicContact CD2-CD1 4.38Å; Y459-L711 HydrophobicContact CE2-CD1 3.81Å
460	K	96.1	Very high	94.8	Very high	34 Å²	34	67.7 Å²	67.7	15%	0.148	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-43.5	177.6	-173.8	174.7	177.4	-173.4	0	111.9	Y445 M448 G449 D450 V451 L456 R457 T458 L463 H464	Y445-K460 HydrophobicContact CD2-CG 3.73Å; Y445-K460 HydrophobicContact CE2-CD 4.17Å; Y445-K460 HydrophobicContact CE2-CG 3.47Å; Y445-K460 VanDerWaalsContact CE2-CG 3.47Å; M448-K460 HydrophobicContact CE-CB 4Å; M448-K460 HydrophobicContact SD-CB 4.23Å; G449-K460 WeakPolarHBondContact O-CE 3.24Å; G449-K460 PolarHBondContact O-NZ 3.34Å; D450-K460 IonicContact OD1-NZ 3.6Å; V451-K460 HydrophobicContact CG2-CB 4.1Å; V451-K460 HydrophobicContact CG2-CD 3.86Å; L456-K460 WeakPolarHBondContact O-CB 3.42Å; L456-K460 PolarHBondContact O-N 3.37Å; R457-K460 PolarHBondContact O-N 2.92Å; R457-K460 VanDerWaalsContact O-N 3.15Å; T458-K460 PolarHBondContact O-N 3.16Å; K460-L463 PolarHBondContact O-N 3.5Å; K460-H464 PolarHBondContact O-N 3.16Å
461	E	95.6	Very high	94.9	Very high	122 Å²	122	60.6 Å²	60.6	57%	0.57	30%	0.298	S	S	*	.	H	α-helix	trans	-61	-43.7	174.6	-73.6	169.5	-169.9	0	0	111.2	R457 T458 L463 H464	R457-E461 WeakPolarHBondContact CD-OE1 3.2Å; R457-E461 HydrophobicContact CG-CG 4.43Å; R457-E461 WeakPolarHBondContact CG-OE1 3.26Å; R457-E461 WeakPolarHBondContact O-CB 3.44Å; R457-E461 VanDerWaalsContact O-CG 3.32Å; R457-E461 WeakPolarHBondContact O-CG 2.94Å; R457-E461 PolarHBondContact O-N 3.35Å; T458-E461 PolarHBondContact O-N 2.91Å; E461-L463 VanDerWaalsContact C-N 3.26Å; E461-L463 PolarHBondContact O-N 3.4Å; E461-H464 PolarHBondContact O-N 2.95Å
462	L	95.6	Very high	94.8	Very high	54 Å²	54	60.7 Å²	60.7	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-25.5	176.7	-69.5	177.1	0	0	0	113.4	T458 Y459 Y468 R700 V704	T458-L462 HydrophobicContact CG2-CD1 4.24Å; T458-L462 WeakPolarHBondContact O-CB 3.43Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.39Å; T458-L462 PolarHBondContact O-N 3.02Å; Y459-L462 PolarHBondContact O-N 2.59Å; L462-Y468 VanDerWaalsContact O-CE2 3.32Å; L462-Y468 WeakPolarHBondContact O-CE2 3.37Å; L462-R700 HydrophobicContact CD1-CG 4.44Å; L462-V704 HydrophobicContact CB-CG2 3.95Å; L462-V704 HydrophobicContact CD1-CG2 3.71Å
463	L	96	Very high	94.8	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.037	29%	0.287	C	S	.	.	H	α-helix	trans	-82.8	-20.9	174.1	-69.4	169	0	0	0	113	V441 L444 Y445 M448 Y459 K460 E461 D465 L701 V704	V441-L463 HydrophobicContact CG1-CD2 4.01Å; L444-L463 HydrophobicContact CD2-CD1 3.98Å; L444-L463 HydrophobicContact CD2-CD2 4.2Å; L444-L463 HydrophobicContact CG-CD1 4Å; Y445-L463 HydrophobicContact CD2-CB 4.29Å; M448-L463 HydrophobicContact SD-CD1 3.62Å; Y459-L463 VanDerWaalsContact O-CG 3.28Å; Y459-L463 WeakPolarHBondContact O-CG 3Å; Y459-L463 PolarHBondContact O-N 3.47Å; K460-L463 PolarHBondContact O-N 3.5Å; E461-L463 VanDerWaalsContact C-N 3.26Å; E461-L463 PolarHBondContact O-N 3.4Å; L463-D465 PolarHBondContact O-N 3.5Å; L463-L701 HydrophobicContact CD2-CD1 3.76Å; L463-V704 HydrophobicContact CD1-CG1 4.17Å; L463-V704 HydrophobicContact CD2-CG1 4.07Å; L463-V704 HydrophobicContact CG-CG1 3.97Å
464	H	94.3	Very high	94.7	Very high	123 Å²	123	58.9 Å²	58.9	57%	0.569	29%	0.292	S	S	*	.	S	Bend	trans	-80.3	1.5	175.9	-170.1	-90.5	0	0	0	113.1	Y445 K460 E461 S466	Y445-H464 HydrophobicContact CD2-CB 4.11Å; Y445-H464 HydrophobicContact CE2-CB 3.72Å; Y445-H464 AromaticContact CE2-CD2 3.77Å; Y445-H464 AromaticContact CZ-CD2 3.58Å; K460-H464 PolarHBondContact O-N 3.16Å; E461-H464 PolarHBondContact O-N 2.95Å; H464-S466 PolarHBondContact O-N 3.4Å; H464-S466 VanDerWaalsContact O-N 3.16Å
465	D	93.6	Very high	94.6	Very high	41 Å²	41	55.5 Å²	55.5	22%	0.219	27%	0.271	C	S	.	.			trans	-57.6	119.5	-179.8	-163.8	-25.9	0	0	0	111.2	L463 E467 Y468 R700	L463-D465 PolarHBondContact O-N 3.5Å; D465-E467 PolarHBondContact O-N 3.07Å; D465-E467 VanDerWaalsContact O-N 3.16Å; D465-E467 WeakPolarHBondContact OD1-CB 3.13Å; D465-E467 VanDerWaalsContact OD1-CG 3.25Å; D465-E467 WeakPolarHBondContact OD1-CG 3.37Å; D465-E467 PolarHBondContact OD1-N 3.31Å; D465-E467 VanDerWaalsContact OD1-N 3.09Å; D465-Y468 HydrophobicContact CB-CD2 3.95Å; D465-Y468 HydrophobicContact CB-CE2 3.86Å; D465-Y468 VanDerWaalsContact O-CD2 3.27Å; D465-Y468 WeakPolarHBondContact O-CD2 3.39Å; D465-Y468 PolarHBondContact O-N 2.91Å; D465-R700 IonicContact OD2-CZ 3.07Å; D465-R700 IonicContact OD2-NH1 3.36Å; D465-R700 PolarHBondContact OD2-NH1 3.16Å
466	S	92.5	Very high	94.6	Very high	85 Å²	85	54.7 Å²	54.7	59%	0.594	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.4	-178.4	52.7	0	0	0	0	113	H464 Y468 E469 H470	H464-S466 PolarHBondContact O-N 3.4Å; H464-S466 VanDerWaalsContact O-N 3.16Å; S466-Y468 PolarHBondContact O-N 3.14Å; S466-E469 PolarHBondContact O-N 3.25Å; S466-E469 VanDerWaalsContact O-N 3.14Å; S466-H470 PolarHBondContact O-N 3.08Å; S466-H470 VanDerWaalsContact O-N 3.16Å
467	E	92.6	Very high	94.4	Very high	83 Å²	83	58.8 Å²	58.8	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-28.3	176.7	-62.5	-59.5	122.7	0	0	112	D465 E469 H470 V471 L697	D465-E467 PolarHBondContact O-N 3.07Å; D465-E467 VanDerWaalsContact O-N 3.16Å; D465-E467 WeakPolarHBondContact OD1-CB 3.13Å; D465-E467 VanDerWaalsContact OD1-CG 3.25Å; D465-E467 WeakPolarHBondContact OD1-CG 3.37Å; D465-E467 PolarHBondContact OD1-N 3.31Å; D465-E467 VanDerWaalsContact OD1-N 3.09Å; E467-E469 VanDerWaalsContact C-N 3.34Å; E467-E469 PolarHBondContact O-N 3.21Å; E467-H470 PolarHBondContact O-N 2.76Å; E467-V471 WeakPolarHBondContact O-CG2 3.25Å; E467-V471 PolarHBondContact O-N 3.43Å; E467-L697 HydrophobicContact CB-CD1 4.18Å; E467-L697 HydrophobicContact CB-CD2 3.89Å
468	Y	94.9	Very high	94.3	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.039	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-41.8	174.9	-68.2	-63.4	0	0	0	112.1	L438 V441 L462 D465 S466 L472 L697 L701	L438-Y468 HydrophobicContact CD2-CD1 3.69Å; L438-Y468 HydrophobicContact CD2-CE1 4.47Å; V441-Y468 HydrophobicContact CG1-CD2 3.77Å; V441-Y468 HydrophobicContact CG1-CE2 4.04Å; V441-Y468 HydrophobicContact CG1-CG 4.04Å; V441-Y468 HydrophobicContact CG2-CD1 4.38Å; L462-Y468 VanDerWaalsContact O-CE2 3.32Å; L462-Y468 WeakPolarHBondContact O-CE2 3.37Å; D465-Y468 HydrophobicContact CB-CD2 3.95Å; D465-Y468 HydrophobicContact CB-CE2 3.86Å; D465-Y468 VanDerWaalsContact O-CD2 3.27Å; D465-Y468 WeakPolarHBondContact O-CD2 3.39Å; D465-Y468 PolarHBondContact O-N 2.91Å; S466-Y468 PolarHBondContact O-N 3.14Å; Y468-L472 VanDerWaalsContact O-CB 3.3Å; Y468-L472 WeakPolarHBondContact O-CB 3.5Å; Y468-L472 PolarHBondContact O-N 3.29Å; Y468-L697 HydrophobicContact CD1-CD1 3.86Å; Y468-L697 HydrophobicContact CD1-CD2 3.56Å; Y468-L697 HydrophobicContact CD1-CG 3.6Å; Y468-L697 HydrophobicContact CD2-CD1 4.36Å; Y468-L697 HydrophobicContact CE1-CD1 3.51Å; Y468-L697 HydrophobicContact CE1-CD2 3.93Å; Y468-L697 HydrophobicContact CE1-CG 3.38Å; Y468-L697 HydrophobicContact CE2-CD1 4.03Å; Y468-L697 HydrophobicContact CG-CD1 4.27Å; Y468-L697 HydrophobicContact CG-CD2 4.14Å; Y468-L697 HydrophobicContact CG-CG 4.38Å; Y468-L701 HydrophobicContact CE1-CB 4Å; Y468-L701 HydrophobicContact CE1-CD1 4.48Å; Y468-L701 HydrophobicContact CE1-CD2 4.13Å; Y468-L701 HydrophobicContact CE1-CG 4.44Å
469	E	93.4	Very high	94.2	Very high	94 Å²	94	51.2 Å²	51.2	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-69.6	-37.2	177.5	-178.1	60.5	-149.5	0	0	110.5	S466 E467 L472 Q473	S466-E469 PolarHBondContact O-N 3.25Å; S466-E469 VanDerWaalsContact O-N 3.14Å; E467-E469 VanDerWaalsContact C-N 3.34Å; E467-E469 PolarHBondContact O-N 3.21Å; E469-L472 PolarHBondContact O-N 2.8Å; E469-Q473 WeakPolarHBondContact O-CB 3.3Å; E469-Q473 VanDerWaalsContact O-CG 3.23Å; E469-Q473 WeakPolarHBondContact O-CG 3.47Å; E469-Q473 PolarHBondContact O-N 3.23Å; E469-Q473 PolarHBondContact OE1-NE2 3.12Å
470	H	93	Very high	94	Very high	89 Å²	89	53.5 Å²	53.5	41%	0.412	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-47.9	174.8	-172.5	56.1	0	0	0	112	S466 E467 L472 Q473 I474	S466-H470 PolarHBondContact O-N 3.08Å; S466-H470 VanDerWaalsContact O-N 3.16Å; E467-H470 PolarHBondContact O-N 2.76Å; H470-L472 VanDerWaalsContact C-N 3.33Å; H470-L472 PolarHBondContact O-N 3.24Å; H470-Q473 WeakPolarHBondContact O-CB 3.35Å; H470-Q473 PolarHBondContact O-N 3.03Å; H470-Q473 VanDerWaalsContact O-N 3.16Å; H470-I474 WeakPolarHBondContact O-CG1 3.36Å; H470-I474 PolarHBondContact O-N 2.82Å
471	V	93.2	Very high	93.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-38.6	176.9	176.8	0	0	0	0	111.4	L438 E467 Q473 I474 L475 L691 D694 L697 F698	L438-V471 HydrophobicContact CD1-CB 4.3Å; L438-V471 HydrophobicContact CD1-CG1 3.78Å; E467-V471 WeakPolarHBondContact O-CG2 3.25Å; E467-V471 PolarHBondContact O-N 3.43Å; V471-Q473 VanDerWaalsContact C-N 3.31Å; V471-Q473 PolarHBondContact O-N 2.98Å; V471-I474 PolarHBondContact O-N 3.01Å; V471-L475 WeakPolarHBondContact O-CG 3.48Å; V471-L475 PolarHBondContact O-N 2.8Å; V471-L691 HydrophobicContact CG1-CD2 3.78Å; V471-D694 HydrophobicContact CG2-CB 3.78Å; V471-L697 HydrophobicContact CG2-CD2 3.9Å; V471-F698 HydrophobicContact CG1-CE2 4.41Å; V471-F698 HydrophobicContact CG1-CZ 3.82Å
472	L	93.7	Very high	93.3	Very high	20 Å²	20	58 Å²	58	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-39	174	-176.8	61.3	0	0	0	111.7	K435 L438 Y468 E469 H470 L475 C476	K435-L472 HydrophobicContact CG-CD1 3.92Å; L438-L472 HydrophobicContact CB-CB 4.48Å; L438-L472 HydrophobicContact CB-CD1 4.13Å; L438-L472 HydrophobicContact CD1-CB 4.42Å; Y468-L472 VanDerWaalsContact O-CB 3.3Å; Y468-L472 WeakPolarHBondContact O-CB 3.5Å; Y468-L472 PolarHBondContact O-N 3.29Å; E469-L472 PolarHBondContact O-N 2.8Å; H470-L472 VanDerWaalsContact C-N 3.33Å; H470-L472 PolarHBondContact O-N 3.24Å; L472-L475 PolarHBondContact O-N 2.97Å; L472-C476 VanDerWaalsContact O-CB 3.3Å; L472-C476 WeakPolarHBondContact O-CB 3.39Å; L472-C476 PolarHBondContact O-N 2.8Å; L472-C476 PolarHBondContact O-SG 3.12Å
473	Q	93.7	Very high	93.1	Very high	104 Å²	104	55.5 Å²	55.5	49%	0.486	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-43.1	174.4	-73.8	170.1	12.3	0	0	111.7	E469 H470 V471 L475 C476 T477	E469-Q473 WeakPolarHBondContact O-CB 3.3Å; E469-Q473 VanDerWaalsContact O-CG 3.23Å; E469-Q473 WeakPolarHBondContact O-CG 3.47Å; E469-Q473 PolarHBondContact O-N 3.23Å; E469-Q473 PolarHBondContact OE1-NE2 3.12Å; H470-Q473 WeakPolarHBondContact O-CB 3.35Å; H470-Q473 PolarHBondContact O-N 3.03Å; H470-Q473 VanDerWaalsContact O-N 3.16Å; V471-Q473 VanDerWaalsContact C-N 3.31Å; V471-Q473 PolarHBondContact O-N 2.98Å; Q473-L475 PolarHBondContact O-N 3.33Å; Q473-C476 CarbonylContact O-C 3.4Å; Q473-C476 PolarHBondContact O-N 3.29Å; Q473-C476 VanDerWaalsContact O-N 3.15Å; Q473-T477 WeakPolarHBondContact O-CG2 3.29Å; Q473-T477 PolarHBondContact O-N 3.48Å
474	I	92.2	Very high	92.7	Very high	45 Å²	45	61 Å²	61	23%	0.231	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-50.3	173.7	-67.6	168.3	0	0	0	110.1	H470 V471 C476 T477 L687 L691	H470-I474 WeakPolarHBondContact O-CG1 3.36Å; H470-I474 PolarHBondContact O-N 2.82Å; V471-I474 PolarHBondContact O-N 3.01Å; I474-C476 VanDerWaalsContact C-N 3.3Å; I474-C476 PolarHBondContact O-N 2.87Å; I474-T477 WeakPolarHBondContact O-CB 3.25Å; I474-T477 PolarHBondContact O-N 2.91Å; I474-T477 PolarHBondContact O-OG1 2.74Å; I474-L687 HydrophobicContact CG2-CD1 4.19Å; I474-L691 HydrophobicContact CG2-CD2 4.44Å
475	L	93.4	Very high	92.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-43.9	175.4	-71.5	171.4	0	0	0	111.8	V431 I434 K435 L438 V471 L472 Q473 T477 V478 L479 L687 L691	V431-L475 HydrophobicContact CG1-CD2 4.3Å; I434-L475 HydrophobicContact CG2-CD1 4Å; K435-L475 HydrophobicContact CB-CD1 4.08Å; L438-L475 HydrophobicContact CD1-CD1 3.63Å; V471-L475 WeakPolarHBondContact O-CG 3.48Å; V471-L475 PolarHBondContact O-N 2.8Å; L472-L475 PolarHBondContact O-N 2.97Å; Q473-L475 PolarHBondContact O-N 3.33Å; L475-T477 PolarHBondContact O-N 2.89Å; L475-V478 PolarHBondContact O-N 2.88Å; L475-V478 VanDerWaalsContact O-N 3.15Å; L475-L479 HydrophobicContact CB-CD1 4.37Å; L475-L479 HydrophobicContact CD2-CD1 4.43Å; L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 WeakPolarHBondContact O-CG 3.28Å; L475-L479 PolarHBondContact O-N 2.83Å; L475-L687 HydrophobicContact CD2-CD1 4.32Å; L475-L687 HydrophobicContact CD2-CD2 3.84Å; L475-L687 HydrophobicContact CD2-CG 4.15Å; L475-L691 HydrophobicContact CD2-CD1 3.81Å; L475-L691 HydrophobicContact CD2-CD2 4.14Å; L475-L691 HydrophobicContact CD2-CG 4.5Å; L475-L691 HydrophobicContact CG-CD2 4.31Å
476	C	94.8	Very high	91.8	Very high	19 Å²	19	58.3 Å²	58.3	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-72.4	-3.8	178.5	-69.6	0	0	0	0	113.8	L472 Q473 I474 V478 K501	L472-C476 VanDerWaalsContact O-CB 3.3Å; L472-C476 WeakPolarHBondContact O-CB 3.39Å; L472-C476 PolarHBondContact O-N 2.8Å; L472-C476 PolarHBondContact O-SG 3.12Å; Q473-C476 CarbonylContact O-C 3.4Å; Q473-C476 PolarHBondContact O-N 3.29Å; Q473-C476 VanDerWaalsContact O-N 3.15Å; I474-C476 VanDerWaalsContact C-N 3.3Å; I474-C476 PolarHBondContact O-N 2.87Å; C476-V478 VanDerWaalsContact C-N 3.33Å; C476-K501 WeakPolarHBondContact O-CE 3.4Å; C476-K501 PolarHBondContact O-NZ 3.43Å
477	T	93.4	Very high	91.1	Very high	85 Å²	85	64.1 Å²	64.1	52%	0.521	31%	0.307	S	S	.	.	H	α-helix	trans	-70.9	-35.7	166.7	65.6	0	0	0	0	110.7	Q473 I474 L475	Q473-T477 WeakPolarHBondContact O-CG2 3.29Å; Q473-T477 PolarHBondContact O-N 3.48Å; I474-T477 WeakPolarHBondContact O-CB 3.25Å; I474-T477 PolarHBondContact O-N 2.91Å; I474-T477 PolarHBondContact O-OG1 2.74Å; L475-T477 PolarHBondContact O-N 2.89Å
478	V	94.1	Very high	90.4	Very high	21 Å²	21	62.8 Å²	62.8	13%	0.127	32%	0.315	C	S	.	.	H	α-helix	trans	-98.4	-42	-177.7	178.2	0	0	0	0	112.1	L475 C476 I500 K501 L504 I683 L687	L475-V478 PolarHBondContact O-N 2.88Å; L475-V478 VanDerWaalsContact O-N 3.15Å; C476-V478 VanDerWaalsContact C-N 3.33Å; V478-I500 HydrophobicContact CG1-CG1 4.48Å; V478-I500 HydrophobicContact CG1-CG2 4.17Å; V478-I500 CarbonylContact O-C 3.58Å; V478-I500 WeakPolarHBondContact O-CA 3.33Å; V478-K501 PolarHBondContact O-N 3.35Å; V478-L504 HydrophobicContact CB-CD1 4.39Å; V478-L504 HydrophobicContact CG1-CD1 4.17Å; V478-L504 WeakPolarHBondContact O-CD1 3.34Å; V478-I683 HydrophobicContact CG1-CG2 3.69Å; V478-L687 HydrophobicContact CB-CD2 4.01Å; V478-L687 HydrophobicContact CG1-CD2 4.18Å; V478-L687 HydrophobicContact CG2-CD1 4.1Å; V478-L687 HydrophobicContact CG2-CD2 4.35Å
479	L	94.4	Very high	89.7	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-93.5	149.3	-175.2	-56.1	175	0	0	0	112	V431 K435 L475 A499 I500 K501 I684 L687	V431-L479 HydrophobicContact CG1-CD1 3.64Å; V431-L479 HydrophobicContact CG1-CD2 4.37Å; V431-L479 HydrophobicContact CG1-CG 4.47Å; K435-L479 HydrophobicContact CB-CD1 4.11Å; K435-L479 HydrophobicContact CG-CD1 4.37Å; L475-L479 HydrophobicContact CB-CD1 4.37Å; L475-L479 HydrophobicContact CD2-CD1 4.43Å; L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 WeakPolarHBondContact O-CG 3.28Å; L475-L479 PolarHBondContact O-N 2.83Å; L479-A499 CarbonylContact C-O 3.6Å; L479-A499 VanDerWaalsContact CA-O 3.28Å; L479-A499 WeakPolarHBondContact CA-O 3.12Å; L479-A499 HydrophobicContact CD2-CB 4.23Å; L479-I500 HydrophobicContact CD2-CG1 4.42Å; L479-K501 WeakPolarHBondContact O-CE 3.47Å; L479-I684 HydrophobicContact CD2-CD1 3.95Å; L479-L687 HydrophobicContact CG-CD2 4.44Å
480	H	92.8	Very high	89.2	Confident	88 Å²	88	66.1 Å²	66.1	41%	0.407	34%	0.335	S	S	.	.			trans	-68.7	143	171.2	-160.8	-88.8	0	0	0	110.9	D482 V483 A499	H480-D482 IonicContact CE1-OD2 3.55Å; H480-D482 PolarHBondContact CE1-OD2 3.38Å; H480-D482 PolarHBondContact ND1-N 3.24Å; H480-D482 IonicContact ND1-OD2 2.64Å; H480-D482 PolarHBondContact ND1-OD2 3.33Å; H480-D482 PolarHBondContact O-N 2.9Å; H480-V483 HydrophobicContact CB-CG2 3.84Å; H480-V483 WeakPolarHBondContact O-CB 3.46Å; H480-V483 WeakPolarHBondContact O-CG2 3.45Å; H480-V483 PolarHBondContact O-N 3.01Å; H480-A499 PolarHBondContact N-O 3.44Å
481	K	88.7	Confident	88.9	Confident	144 Å²	144	64 Å²	64	63%	0.626	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.5	-175.6	-70.3	-174.1	176.4	-175.4	0	112.7	K435 V483	K435-K481 WeakPolarHBondContact CE-O 3.42Å; K435-K481 PolarHBondContact NZ-O 3.33Å; K481-V483 VanDerWaalsContact C-N 3.29Å; K481-V483 PolarHBondContact O-N 3.05Å
482	D	89.1	Confident	88.7	Confident	105 Å²	105	65 Å²	65	56%	0.561	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	0.6	-177.2	-54.8	-40.7	0	0	0	114	H480 R484	H480-D482 IonicContact CE1-OD2 3.55Å; H480-D482 PolarHBondContact CE1-OD2 3.38Å; H480-D482 PolarHBondContact ND1-N 3.24Å; H480-D482 IonicContact ND1-OD2 2.64Å; H480-D482 PolarHBondContact ND1-OD2 3.33Å; H480-D482 PolarHBondContact O-N 2.9Å; D482-R484 PolarHBondContact O-N 3.26Å
483	V	91.2	Very high	88.4	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.018	34%	0.339	C	S	.	.			trans	-66	124.7	177.3	172.6	0	0	0	0	109.4	I432 K435 H480 K481 A499	I432-V483 HydrophobicContact CB-CG1 4.16Å; I432-V483 HydrophobicContact CD1-CG1 4.25Å; I432-V483 HydrophobicContact CG1-CG1 3.69Å; I432-V483 HydrophobicContact CG2-CG1 3.7Å; K435-V483 WeakPolarHBondContact CD-O 3.46Å; K435-V483 PolarHBondContact NZ-O 3.04Å; H480-V483 HydrophobicContact CB-CG2 3.84Å; H480-V483 WeakPolarHBondContact O-CB 3.46Å; H480-V483 WeakPolarHBondContact O-CG2 3.45Å; H480-V483 PolarHBondContact O-N 3.01Å; K481-V483 VanDerWaalsContact C-N 3.29Å; K481-V483 PolarHBondContact O-N 3.05Å; V483-A499 HydrophobicContact CG1-CB 4.3Å; V483-A499 HydrophobicContact CG2-CB 4.26Å
484	R	87.8	Confident	88.2	Confident	122 Å²	122	63.9 Å²	63.9	46%	0.46	33%	0.334	S	S	.	.			trans	-144	163.1	-179	-62.6	-172.9	-167.4	-93.1	2.7	110.6	D439 D482 S486	D439-R484 IonicContact OD2-NH1 3.14Å; D482-R484 PolarHBondContact O-N 3.26Å; R484-S486 PolarHBondContact O-N 3.13Å
485	M	86.3	Confident	88.2	Confident	75 Å²	75	64.3 Å²	64.3	37%	0.369	34%	0.335	S	S	.	.			trans	-69.5	116	170	-68.2	-61.1	-65.6	0	0	109.3	I432 A433 Y436 M492	I432-M485 HydrophobicContact CB-SD 4.42Å; I432-M485 HydrophobicContact CG2-CG 4.46Å; I432-M485 HydrophobicContact CG2-SD 3.76Å; A433-M485 HydrophobicContact CB-CE 4.45Å; A433-M485 HydrophobicContact CB-CG 4.28Å; A433-M485 HydrophobicContact CB-SD 3.73Å; Y436-M485 HydrophobicContact CD1-CB 4.07Å; Y436-M485 HydrophobicContact CD1-CG 3.73Å; Y436-M485 HydrophobicContact CE1-CB 4.38Å; Y436-M485 HydrophobicContact CE1-CG 4.45Å; Y436-M485 HydrophobicContact CG-CB 4.31Å; Y436-M485 HydrophobicContact CG-CG 4Å; M485-M492 HydrophobicContact CE-CE 3.86Å; M485-M492 HydrophobicContact SD-CE 3.58Å; M485-M492 VanDerWaalsContact SD-CE 3.58Å; M485-M492 HydrophobicContact SD-SD 4.47Å
486	S	81.6	Confident	88.1	Confident	33 Å²	33	65.2 Å²	65.2	23%	0.231	34%	0.339	C	S	.	.			trans	-108.8	136.3	179.2	51.9	0	0	0	0	111.4	R484 A491 M492 Q495	R484-S486 PolarHBondContact O-N 3.13Å; S486-A491 VanDerWaalsContact OG-C 3.26Å; S486-A491 PolarHBondContact OG-O 2.76Å; S486-M492 WeakPolarHBondContact OG-CA 3.29Å; S486-M492 PolarHBondContact OG-N 2.88Å; S486-Q495 VanDerWaalsContact OG-CG 3.26Å; S486-Q495 WeakPolarHBondContact OG-CG 3.02Å
487	K	79.6	Confident	87.8	Confident	207 Å²	207	64.5 Å²	64.5	90%	0.9	33%	0.334	S	S	*	.	S	Bend	trans	-69.7	140.4	172.9	-65.3	-179	-178.4	176.8	0	109.6
488	G	77.9	Confident	87.7	Confident	54 Å²	54	63.9 Å²	63.9	56%	0.557	32%	0.324	S	S	*	.	S	Bend	trans	96.9	142.2	178.6	0	0	0	0	0	114.7	L490 M492	G488-L490 PolarHBondContact O-N 2.96Å; G488-M492 WeakPolarHBondContact O-CB 3.45Å; G488-M492 PolarHBondContact O-N 2.95Å
489	M	79.8	Confident	87.6	Confident	99 Å²	99	62.9 Å²	62.9	49%	0.488	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-41.6	-172.2	-177.1	176.6	-63	0	0	113.3	R493 K543	M489-R493 WeakPolarHBondContact O-CB 3.49Å; M489-R493 PolarHBondContact O-N 2.97Å; M489-K543 HydrophobicContact CE-CB 3.93Å; M489-K543 HydrophobicContact SD-CB 4.06Å
490	L	82.6	Confident	87.6	Confident	76 Å²	76	63.1 Å²	63.1	40%	0.398	32%	0.32	S	S	.	.	H	α-helix	trans	-74.6	-45.9	-177.5	-169.8	65.9	0	0	0	111.2	G488 M492 R493 T494 F547	G488-L490 PolarHBondContact O-N 2.96Å; L490-M492 VanDerWaalsContact C-N 3.32Å; L490-M492 PolarHBondContact O-N 3.3Å; L490-R493 WeakPolarHBondContact O-CA 3.36Å; L490-R493 WeakPolarHBondContact O-CB 3.49Å; L490-R493 PolarHBondContact O-N 3.09Å; L490-T494 PolarHBondContact O-N 2.75Å; L490-T494 PolarHBondContact O-OG1 2.93Å; L490-F547 HydrophobicContact CD1-CE1 4.28Å; L490-F547 HydrophobicContact CD1-CZ 4.1Å
491	A	85.8	Confident	87.7	Confident	44 Å²	44	62.2 Å²	62.2	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-56.7	-46.3	175	0	0	0	0	0	111.3	S486 R493 T494 Q495	S486-A491 VanDerWaalsContact OG-C 3.26Å; S486-A491 PolarHBondContact OG-O 2.76Å; A491-R493 VanDerWaalsContact C-N 3.31Å; A491-R493 PolarHBondContact O-N 3.12Å; A491-T494 WeakPolarHBondContact O-CB 3.5Å; A491-T494 PolarHBondContact O-N 2.7Å; A491-T494 VanDerWaalsContact O-N 3.17Å; A491-Q495 WeakPolarHBondContact O-CG 3.45Å; A491-Q495 PolarHBondContact O-N 2.69Å
492	M	89.4	Confident	87.7	Confident	21 Å²	21	62.9 Å²	62.9	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-67.7	-30.8	177	-165.5	57.1	-174.2	0	0	112.7	T429 I432 M485 S486 G488 L490 Q495 K496	T429-M492 HydrophobicContact CG2-CE 3.87Å; I432-M492 HydrophobicContact CB-CE 4.45Å; I432-M492 HydrophobicContact CD1-CE 4.14Å; I432-M492 HydrophobicContact CG2-CE 4.12Å; M485-M492 HydrophobicContact CE-CE 3.86Å; M485-M492 HydrophobicContact SD-CE 3.58Å; M485-M492 VanDerWaalsContact SD-CE 3.58Å; M485-M492 HydrophobicContact SD-SD 4.47Å; S486-M492 WeakPolarHBondContact OG-CA 3.29Å; S486-M492 PolarHBondContact OG-N 2.88Å; G488-M492 WeakPolarHBondContact O-CB 3.45Å; G488-M492 PolarHBondContact O-N 2.95Å; L490-M492 VanDerWaalsContact C-N 3.32Å; L490-M492 PolarHBondContact O-N 3.3Å; M492-Q495 HydrophobicContact SD-CB 4.21Å; M492-K496 HydrophobicContact CE-CG 4.37Å; M492-K496 WeakPolarHBondContact O-CB 3.21Å; M492-K496 VanDerWaalsContact O-CE 3.27Å; M492-K496 WeakPolarHBondContact O-CE 3.38Å; M492-K496 VanDerWaalsContact O-CG 3.27Å; M492-K496 WeakPolarHBondContact O-CG 3.43Å; M492-K496 PolarHBondContact O-N 3.31Å
493	R	88.6	Confident	87.7	Confident	39 Å²	39	60.8 Å²	60.8	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-43.7	171.5	179.7	178.8	-70.8	160.7	-1.5	111	M489 L490 A491 K496 C497 Y515 H541 L673	M489-R493 WeakPolarHBondContact O-CB 3.49Å; M489-R493 PolarHBondContact O-N 2.97Å; L490-R493 WeakPolarHBondContact O-CA 3.36Å; L490-R493 WeakPolarHBondContact O-CB 3.49Å; L490-R493 PolarHBondContact O-N 3.09Å; A491-R493 VanDerWaalsContact C-N 3.31Å; A491-R493 PolarHBondContact O-N 3.12Å; R493-K496 PolarHBondContact O-N 3.41Å; R493-C497 WeakPolarHBondContact O-CB 3.13Å; R493-C497 PolarHBondContact O-N 3.14Å; R493-Y515 WeakPolarHBondContact CD-OH 3.37Å; R493-H541 PolarHBondContact NH1-CD2 2.58Å; R493-H541 PolarHBondContact NH1-CE1 2.76Å; R493-H541 VanDerWaalsContact NH1-CE1 3.3Å; R493-H541 PolarHBondContact NH1-NE2 3.29Å; R493-H541 PolarHBondContact NH2-CE1 2.85Å; R493-H541 VanDerWaalsContact NH2-CE1 3.28Å; R493-H541 PolarHBondContact NH2-NE2 3.06Å; R493-L673 HydrophobicContact CG-CD1 4.16Å; R493-L673 HydrophobicContact CG-CD2 4.37Å
494	T	89.4	Confident	87.7	Confident	62 Å²	62	65 Å²	65	38%	0.38	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-48.9	175.8	-55.8	0	0	0	0	110.5	L490 A491 K496 C497 F498	L490-T494 PolarHBondContact O-N 2.75Å; L490-T494 PolarHBondContact O-OG1 2.93Å; A491-T494 WeakPolarHBondContact O-CB 3.5Å; A491-T494 PolarHBondContact O-N 2.7Å; A491-T494 VanDerWaalsContact O-N 3.17Å; T494-K496 VanDerWaalsContact C-N 3.31Å; T494-K496 PolarHBondContact O-N 2.95Å; T494-C497 PolarHBondContact O-N 2.96Å; T494-C497 VanDerWaalsContact O-N 3.15Å; T494-F498 HydrophobicContact CG2-CD2 3.86Å; T494-F498 HydrophobicContact CG2-CE2 4.24Å; T494-F498 WeakPolarHBondContact O-CD2 3.34Å; T494-F498 PolarHBondContact O-N 3.11Å
495	Q	91.3	Very high	87.8	Confident	54 Å²	54	60.4 Å²	60.4	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-54.7	-45.9	175.2	-70.5	-63.9	-32.8	0	0	111.7	S486 A491 M492 A499	S486-Q495 VanDerWaalsContact OG-CG 3.26Å; S486-Q495 WeakPolarHBondContact OG-CG 3.02Å; A491-Q495 WeakPolarHBondContact O-CG 3.45Å; A491-Q495 PolarHBondContact O-N 2.69Å; M492-Q495 HydrophobicContact SD-CB 4.21Å; Q495-A499 VanDerWaalsContact O-CA 3.3Å; Q495-A499 WeakPolarHBondContact O-CA 3.48Å; Q495-A499 WeakPolarHBondContact O-CB 3.26Å; Q495-A499 PolarHBondContact O-N 2.99Å
496	K	90.9	Very high	88.1	Confident	19 Å²	19	62.2 Å²	62.2	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-65.7	-40.5	177.1	-71.3	178.4	-61.8	-170.1	0	113.7	E425 I428 T429 I432 M492 R493 T494 F498 Y677	E425-K496 HydrophobicContact CG-CD 4.17Å; E425-K496 IonicContact OE1-NZ 3.27Å; E425-K496 PolarHBondContact OE1-NZ 3.24Å; I428-K496 HydrophobicContact CG2-CB 4.04Å; I428-K496 HydrophobicContact CG2-CG 4Å; T429-K496 WeakPolarHBondContact OG1-CD 3.39Å; I432-K496 HydrophobicContact CD1-CG 3.87Å; M492-K496 HydrophobicContact CE-CG 4.37Å; M492-K496 WeakPolarHBondContact O-CB 3.21Å; M492-K496 VanDerWaalsContact O-CE 3.27Å; M492-K496 WeakPolarHBondContact O-CE 3.38Å; M492-K496 VanDerWaalsContact O-CG 3.27Å; M492-K496 WeakPolarHBondContact O-CG 3.43Å; M492-K496 PolarHBondContact O-N 3.31Å; R493-K496 PolarHBondContact O-N 3.41Å; T494-K496 VanDerWaalsContact C-N 3.31Å; T494-K496 PolarHBondContact O-N 2.95Å; K496-F498 VanDerWaalsContact C-N 3.33Å; K496-Y677 HydrophobicContact CB-CE1 3.98Å; K496-Y677 WeakPolarHBondContact CE-OH 3.43Å
497	C	88.8	Confident	88.7	Confident	3 Å²	3	65 Å²	65	2%	0.02	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-38.6	-178.3	-164.5	0	0	0	0	111	R493 T494 R512	R493-C497 WeakPolarHBondContact O-CB 3.13Å; R493-C497 PolarHBondContact O-N 3.14Å; T494-C497 PolarHBondContact O-N 2.96Å; T494-C497 VanDerWaalsContact O-N 3.15Å; C497-R512 WeakPolarHBondContact O-CD 3.19Å
498	F	92	Very high	89.4	Confident	72 Å²	72	55.3 Å²	55.3	32%	0.316	32%	0.32	S	S	.	.	S	Bend	trans	-111.3	17.5	-174.3	-57.2	-78.6	0	0	0	113.8	T494 K496 I500 R512 Y515	T494-F498 HydrophobicContact CG2-CD2 3.86Å; T494-F498 HydrophobicContact CG2-CE2 4.24Å; T494-F498 WeakPolarHBondContact O-CD2 3.34Å; T494-F498 PolarHBondContact O-N 3.11Å; K496-F498 VanDerWaalsContact C-N 3.33Å; F498-I500 PolarHBondContact O-N 2.98Å; F498-R512 HydrophobicContact CE1-CB 4.13Å; F498-Y515 HydrophobicContact CZ-CD1 4.39Å
499	A	92.8	Very high	90.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.008	30%	0.303	C	S	.	.			trans	-63.7	-41.1	-178.2	0	0	0	0	0	112.9	I432 L479 H480 V483 Q495	I432-A499 HydrophobicContact CD1-CB 4Å; I432-A499 HydrophobicContact CG1-CB 4.18Å; L479-A499 CarbonylContact C-O 3.6Å; L479-A499 VanDerWaalsContact CA-O 3.28Å; L479-A499 WeakPolarHBondContact CA-O 3.12Å; L479-A499 HydrophobicContact CD2-CB 4.23Å; H480-A499 PolarHBondContact N-O 3.44Å; V483-A499 HydrophobicContact CG1-CB 4.3Å; V483-A499 HydrophobicContact CG2-CB 4.26Å; Q495-A499 VanDerWaalsContact O-CA 3.3Å; Q495-A499 WeakPolarHBondContact O-CA 3.48Å; Q495-A499 WeakPolarHBondContact O-CB 3.26Å; Q495-A499 PolarHBondContact O-N 2.99Å
500	I	93.8	Very high	90.8	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.026	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-82.2	136.8	-176.5	-59.8	175.1	0	0	0	109.1	V478 L479 F498 L504 L508 R512 A680 I683 I684	V478-I500 HydrophobicContact CG1-CG1 4.48Å; V478-I500 HydrophobicContact CG1-CG2 4.17Å; V478-I500 CarbonylContact O-C 3.58Å; V478-I500 WeakPolarHBondContact O-CA 3.33Å; L479-I500 HydrophobicContact CD2-CG1 4.42Å; F498-I500 PolarHBondContact O-N 2.98Å; I500-L504 HydrophobicContact CG2-CB 4.49Å; I500-L504 HydrophobicContact CG2-CD1 3.8Å; I500-L508 HydrophobicContact CB-CD2 3.94Å; I500-L508 HydrophobicContact CD1-CD2 3.9Å; I500-L508 HydrophobicContact CG1-CD2 4.5Å; I500-L508 HydrophobicContact CG2-CD2 3.9Å; I500-R512 PolarHBondContact O-NH1 3.01Å; I500-R512 PolarHBondContact O-NH2 2.88Å; I500-A680 HydrophobicContact CD1-CB 3.57Å; I500-I683 HydrophobicContact CD1-CB 4.18Å; I500-I683 HydrophobicContact CD1-CD1 4.28Å; I500-I683 HydrophobicContact CD1-CG2 4.26Å; I500-I683 HydrophobicContact CG2-CD1 4.48Å; I500-I684 HydrophobicContact CD1-CD1 4.31Å; I500-I684 HydrophobicContact CD1-CG1 4.04Å; I500-I684 HydrophobicContact CG1-CD1 4.31Å
501	K	93.6	Very high	91.4	Very high	68 Å²	68	51.7 Å²	51.7	30%	0.296	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-60.2	145.8	177.2	-67	-175.3	-176.2	176.7	0	111.8	C476 V478 L479 L504 R512	C476-K501 WeakPolarHBondContact O-CE 3.4Å; C476-K501 PolarHBondContact O-NZ 3.43Å; V478-K501 PolarHBondContact O-N 3.35Å; L479-K501 WeakPolarHBondContact O-CE 3.47Å; K501-L504 HydrophobicContact CB-CD1 3.95Å; K501-L504 HydrophobicContact CB-CG 4.38Å; K501-R512 PolarHBondContact O-NH2 2.99Å
502	E	90.5	Very high	91.8	Very high	158 Å²	158	50 Å²	50	74%	0.738	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	151.6	172.4	-61.3	175.8	-175.9	0	0	111	L504	E502-L504 VanDerWaalsContact C-N 3.28Å; E502-L504 PolarHBondContact O-N 3.37Å
503	G	89.3	Confident	92	Very high	61 Å²	61	55.4 Å²	55.4	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-10.6	178.8	0	0	0	0	0	115.3	D509	G503-D509 WeakPolarHBondContact CA-OD2 3.46Å; G503-D509 PolarHBondContact N-OD2 2.81Å
504	L	89.1	Confident	92.2	Very high	91 Å²	91	54.9 Å²	54.9	48%	0.476	31%	0.306	S	S	.	.	S	Bend	trans	-73.5	-30.6	174	-68	175.3	0	0	0	112.5	V478 I500 K501 E502	V478-L504 HydrophobicContact CB-CD1 4.39Å; V478-L504 HydrophobicContact CG1-CD1 4.17Å; V478-L504 WeakPolarHBondContact O-CD1 3.34Å; I500-L504 HydrophobicContact CG2-CB 4.49Å; I500-L504 HydrophobicContact CG2-CD1 3.8Å; K501-L504 HydrophobicContact CB-CD1 3.95Å; K501-L504 HydrophobicContact CB-CG 4.38Å; E502-L504 VanDerWaalsContact C-N 3.28Å; E502-L504 PolarHBondContact O-N 3.37Å
505	S	91	Very high	92.5	Very high	26 Å²	26	52.1 Å²	52.1	18%	0.182	29%	0.288	C	S	.	.			trans	-148	111.8	175.9	172.2	0	0	0	0	110	V507 L508 D509	S505-V507 PolarHBondContact O-N 2.85Å; S505-L508 WeakPolarHBondContact O-CB 3.47Å; S505-L508 PolarHBondContact O-N 2.77Å; S505-L508 VanDerWaalsContact O-N 3.07Å; S505-L508 PolarHBondContact OG-N 2.76Å; S505-D509 PolarHBondContact O-N 2.98Å
506	V	93.1	Very high	92.5	Very high	113 Å²	113	51.5 Å²	51.5	69%	0.685	29%	0.29	S	S	*	.	H	α-helix	trans	-56.3	-38.2	175.9	-179.2	0	0	0	0	110.8	D509 V510	V506-D509 PolarHBondContact O-N 2.57Å; V506-V510 HydrophobicContact CG1-CG2 4.47Å; V506-V510 VanDerWaalsContact O-CG2 3.27Å; V506-V510 WeakPolarHBondContact O-CG2 3.16Å; V506-V510 PolarHBondContact O-N 3.27Å
507	V	93.3	Very high	92.8	Very high	93 Å²	93	55.3 Å²	55.3	56%	0.564	31%	0.308	S	S	*	.	H	α-helix	trans	-65.1	-46.5	178.4	-169.8	0	0	0	0	110.1	S505 D509 V510 T511 I679	S505-V507 PolarHBondContact O-N 2.85Å; V507-D509 VanDerWaalsContact C-N 3.32Å; V507-D509 PolarHBondContact O-N 2.76Å; V507-V510 PolarHBondContact O-N 3.1Å; V507-T511 PolarHBondContact O-N 2.96Å; V507-T511 PolarHBondContact O-OG1 3.09Å; V507-I679 HydrophobicContact CB-CD1 4.44Å; V507-I679 HydrophobicContact CG1-CD1 3.66Å
508	L	93.5	Very high	93	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-42.8	177.1	-176.6	62.3	0	0	0	111.5	I500 S505 T511 R512 V676 I679 A680 I683	I500-L508 HydrophobicContact CB-CD2 3.94Å; I500-L508 HydrophobicContact CD1-CD2 3.9Å; I500-L508 HydrophobicContact CG1-CD2 4.5Å; I500-L508 HydrophobicContact CG2-CD2 3.9Å; S505-L508 WeakPolarHBondContact O-CB 3.47Å; S505-L508 PolarHBondContact O-N 2.77Å; S505-L508 VanDerWaalsContact O-N 3.07Å; S505-L508 PolarHBondContact OG-N 2.76Å; L508-T511 PolarHBondContact O-N 2.81Å; L508-R512 HydrophobicContact CD1-CG 4.28Å; L508-R512 HydrophobicContact CG-CG 4.38Å; L508-R512 WeakPolarHBondContact O-CB 3.32Å; L508-R512 VanDerWaalsContact O-CG 3.26Å; L508-R512 WeakPolarHBondContact O-CG 3.31Å; L508-R512 PolarHBondContact O-N 3.27Å; L508-V676 HydrophobicContact CD1-CG1 4.03Å; L508-I679 HydrophobicContact CB-CG2 3.8Å; L508-I679 HydrophobicContact CD1-CB 4.17Å; L508-I679 HydrophobicContact CD1-CG2 4.14Å; L508-I679 HydrophobicContact CG-CG2 4.48Å; L508-A680 HydrophobicContact CD1-CB 4.32Å; L508-I683 HydrophobicContact CD2-CD1 4.1Å
509	D	94.5	Very high	93	Very high	38 Å²	38	55.3 Å²	55.3	20%	0.203	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-44.7	-179.8	-62.8	-20.8	0	0	0	111.5	G503 S505 V506 V507 R512 K513	G503-D509 WeakPolarHBondContact CA-OD2 3.46Å; G503-D509 PolarHBondContact N-OD2 2.81Å; S505-D509 PolarHBondContact O-N 2.98Å; V506-D509 PolarHBondContact O-N 2.57Å; V507-D509 VanDerWaalsContact C-N 3.32Å; V507-D509 PolarHBondContact O-N 2.76Å; D509-R512 PolarHBondContact O-N 3.28Å; D509-R512 IonicContact OD1-CZ 3.74Å; D509-R512 IonicContact OD1-NE 2.73Å; D509-R512 IonicContact OD1-NH2 3.93Å; D509-R512 PolarHBondContact OD1-NH2 3.14Å; D509-K513 WeakPolarHBondContact O-CB 3.34Å; D509-K513 PolarHBondContact O-N 2.88Å
510	V	94.6	Very high	93	Very high	94 Å²	94	59.7 Å²	59.7	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-43.2	175.6	172.7	0	0	0	0	111.2	V506 V507 K513 A514	V506-V510 HydrophobicContact CG1-CG2 4.47Å; V506-V510 VanDerWaalsContact O-CG2 3.27Å; V506-V510 WeakPolarHBondContact O-CG2 3.16Å; V506-V510 PolarHBondContact O-N 3.27Å; V507-V510 PolarHBondContact O-N 3.1Å; V510-K513 PolarHBondContact O-N 3.26Å; V510-A514 PolarHBondContact O-N 3.38Å
511	T	93.4	Very high	93.1	Very high	22 Å²	22	62.5 Å²	62.5	14%	0.135	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-38.8	178.6	-48.5	0	0	0	0	111.9	V507 L508 A514 Y515 E675 V676 I679	V507-T511 PolarHBondContact O-N 2.96Å; V507-T511 PolarHBondContact O-OG1 3.09Å; L508-T511 PolarHBondContact O-N 2.81Å; T511-A514 PolarHBondContact O-N 3.2Å; T511-Y515 PolarHBondContact O-N 2.9Å; T511-E675 HydrophobicContact CG2-CB 3.51Å; T511-V676 HydrophobicContact CG2-CG2 3.64Å; T511-I679 WeakPolarHBondContact OG1-CD1 3.36Å
512	R	94.5	Very high	93.1	Very high	8 Å²	8	59.3 Å²	59.3	3%	0.03	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-41.8	174	-74.5	-172.7	-64.6	-178.9	-15.5	111.7	C497 F498 I500 K501 L508 D509 Y515 S516 V676	C497-R512 WeakPolarHBondContact O-CD 3.19Å; F498-R512 HydrophobicContact CE1-CB 4.13Å; I500-R512 PolarHBondContact O-NH1 3.01Å; I500-R512 PolarHBondContact O-NH2 2.88Å; K501-R512 PolarHBondContact O-NH2 2.99Å; L508-R512 HydrophobicContact CD1-CG 4.28Å; L508-R512 HydrophobicContact CG-CG 4.38Å; L508-R512 WeakPolarHBondContact O-CB 3.32Å; L508-R512 VanDerWaalsContact O-CG 3.26Å; L508-R512 WeakPolarHBondContact O-CG 3.31Å; L508-R512 PolarHBondContact O-N 3.27Å; D509-R512 PolarHBondContact O-N 3.28Å; D509-R512 IonicContact OD1-CZ 3.74Å; D509-R512 IonicContact OD1-NE 2.73Å; D509-R512 IonicContact OD1-NH2 3.93Å; D509-R512 PolarHBondContact OD1-NH2 3.14Å; R512-Y515 WeakPolarHBondContact O-CB 3.3Å; R512-Y515 PolarHBondContact O-N 2.84Å; R512-S516 PolarHBondContact O-N 3.46Å; R512-S516 PolarHBondContact O-OG 3.45Å; R512-V676 HydrophobicContact CG-CG1 4.19Å; R512-V676 HydrophobicContact CG-CG2 4.03Å
513	K	93.9	Very high	93.2	Very high	134 Å²	134	54.4 Å²	54.4	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-60.1	-45.8	173.9	-175	175.5	178.8	179.3	0	111.7	D509 V510 Y515 S516 E517	D509-K513 WeakPolarHBondContact O-CB 3.34Å; D509-K513 PolarHBondContact O-N 2.88Å; V510-K513 PolarHBondContact O-N 3.26Å; K513-Y515 VanDerWaalsContact C-N 3.28Å; K513-Y515 PolarHBondContact O-N 2.92Å; K513-S516 PolarHBondContact O-N 3.39Å; K513-S516 VanDerWaalsContact O-N 3.14Å; K513-E517 WeakPolarHBondContact CE-OE1 3.35Å; K513-E517 WeakPolarHBondContact O-CG 3.49Å; K513-E517 PolarHBondContact O-N 3.2Å
514	A	93.7	Very high	93.5	Very high	28 Å²	28	56.3 Å²	56.3	23%	0.231	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-34.8	175.7	0	0	0	0	0	112.7	V510 T511 Q518	V510-A514 PolarHBondContact O-N 3.38Å; T511-A514 PolarHBondContact O-N 3.2Å; A514-Q518 WeakPolarHBondContact O-CB 3.4Å; A514-Q518 VanDerWaalsContact O-CD 3.24Å; A514-Q518 WeakPolarHBondContact O-CG 3.3Å; A514-Q518 PolarHBondContact O-N 2.87Å; A514-Q518 PolarHBondContact O-NE2 3.41Å
515	Y	94	Very high	93.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-44.6	172.4	170.5	-92.1	0	0	0	112	R493 F498 T511 R512 K513 Q518 L519 I669 L673	R493-Y515 WeakPolarHBondContact CD-OH 3.37Å; F498-Y515 HydrophobicContact CZ-CD1 4.39Å; T511-Y515 PolarHBondContact O-N 2.9Å; R512-Y515 WeakPolarHBondContact O-CB 3.3Å; R512-Y515 PolarHBondContact O-N 2.84Å; K513-Y515 VanDerWaalsContact C-N 3.28Å; K513-Y515 PolarHBondContact O-N 2.92Å; Y515-Q518 PolarHBondContact O-N 2.83Å; Y515-L519 PolarHBondContact O-N 3.39Å; Y515-I669 HydrophobicContact CD2-CD1 4.22Å; Y515-I669 HydrophobicContact CD2-CG1 3.63Å; Y515-I669 HydrophobicContact CE2-CD1 3.82Å; Y515-I669 HydrophobicContact CE2-CG1 3.54Å; Y515-L673 HydrophobicContact CD2-CB 4.09Å; Y515-L673 HydrophobicContact CD2-CD1 4.23Å; Y515-L673 HydrophobicContact CE2-CB 4.12Å; Y515-L673 HydrophobicContact CE2-CD1 3.88Å; Y515-L673 HydrophobicContact CE2-CG 4.45Å
516	S	93.3	Very high	93.8	Very high	41 Å²	41	52.1 Å²	52.1	29%	0.287	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-46	177.4	-61.5	0	0	0	0	112.2	R512 K513 Q518 L519 D520	R512-S516 PolarHBondContact O-N 3.46Å; R512-S516 PolarHBondContact O-OG 3.45Å; K513-S516 PolarHBondContact O-N 3.39Å; K513-S516 VanDerWaalsContact O-N 3.14Å; S516-Q518 VanDerWaalsContact C-N 3.25Å; S516-Q518 PolarHBondContact O-N 2.89Å; S516-L519 WeakPolarHBondContact O-CB 3.44Å; S516-L519 PolarHBondContact O-N 3.03Å; S516-D520 PolarHBondContact O-N 3Å
517	E	95.3	Very high	93.8	Very high	99 Å²	99	48.8 Å²	48.8	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-58.6	-38.6	176.2	-71.1	171.4	-176.3	0	0	111.7	K513 L519 D520 D521	K513-E517 WeakPolarHBondContact CE-OE1 3.35Å; K513-E517 WeakPolarHBondContact O-CG 3.49Å; K513-E517 PolarHBondContact O-N 3.2Å; E517-L519 VanDerWaalsContact C-N 3.35Å; E517-D520 PolarHBondContact O-N 2.97Å; E517-D521 PolarHBondContact O-N 3.33Å
518	Q	94	Very high	93.9	Very high	23 Å²	23	48.7 Å²	48.7	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-72.6	-28.2	177.1	-71.1	166.4	29.9	0	0	113.1	A514 Y515 S516 I522 R668 I669 S672	A514-Q518 WeakPolarHBondContact O-CB 3.4Å; A514-Q518 VanDerWaalsContact O-CD 3.24Å; A514-Q518 WeakPolarHBondContact O-CG 3.3Å; A514-Q518 PolarHBondContact O-N 2.87Å; A514-Q518 PolarHBondContact O-NE2 3.41Å; Y515-Q518 PolarHBondContact O-N 2.83Å; S516-Q518 VanDerWaalsContact C-N 3.25Å; S516-Q518 PolarHBondContact O-N 2.89Å; Q518-I522 WeakPolarHBondContact O-CG1 3.41Å; Q518-I522 PolarHBondContact O-N 3.39Å; Q518-I522 VanDerWaalsContact O-N 3.15Å; Q518-R668 PolarHBondContact OE1-O 3.27Å; Q518-I669 HydrophobicContact CB-CB 4.23Å; Q518-I669 HydrophobicContact CB-CD1 4.48Å; Q518-I669 HydrophobicContact CB-CG1 4.24Å; Q518-I669 VanDerWaalsContact OE1-N 3.14Å; Q518-S672 PolarHBondContact NE2-OG 3.38Å; Q518-S672 PolarHBondContact OE1-OG 2.79Å
519	L	91.6	Very high	93.8	Very high	52 Å²	52	48.6 Å²	48.6	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-69.5	-38.9	171.5	-175.8	63.4	0	0	0	110.8	Y515 S516 E517 I522 T523 F547 I669	Y515-L519 PolarHBondContact O-N 3.39Å; S516-L519 WeakPolarHBondContact O-CB 3.44Å; S516-L519 PolarHBondContact O-N 3.03Å; E517-L519 VanDerWaalsContact C-N 3.35Å; L519-I522 PolarHBondContact O-N 2.95Å; L519-T523 PolarHBondContact O-N 3.35Å; L519-T523 PolarHBondContact O-OG1 3.18Å; L519-F547 HydrophobicContact CD1-CE1 4.02Å; L519-F547 HydrophobicContact CD1-CE2 4.34Å; L519-F547 HydrophobicContact CD1-CZ 3.65Å; L519-I669 HydrophobicContact CB-CD1 4.05Å; L519-I669 HydrophobicContact CD1-CD1 4.15Å
520	D	94.1	Very high	93.7	Very high	94 Å²	94	48.5 Å²	48.5	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-42.6	173.7	-65.3	-24.4	0	0	0	111	S516 E517 I522 T523 N524	S516-D520 PolarHBondContact O-N 3Å; E517-D520 PolarHBondContact O-N 2.97Å; D520-I522 VanDerWaalsContact C-N 3.3Å; D520-I522 PolarHBondContact O-N 3.4Å; D520-T523 PolarHBondContact O-N 2.91Å; D520-T523 VanDerWaalsContact O-N 3.09Å; D520-N524 VanDerWaalsContact O-CB 3.28Å; D520-N524 WeakPolarHBondContact O-CB 3.31Å; D520-N524 PolarHBondContact O-N 3.44Å; D520-N524 PolarHBondContact O-ND2 3.34Å; D520-N524 VanDerWaalsContact O-ND2 3.11Å
521	D	94.8	Very high	93.5	Very high	64 Å²	64	53.7 Å²	53.7	34%	0.342	27%	0.269	S	S	.	.	H	α-helix	trans	-56.4	-42.9	173.5	-76.3	-15.9	0	0	0	112	E517 E525 L665	E517-D521 PolarHBondContact O-N 3.33Å; D521-E525 VanDerWaalsContact O-CB 3.28Å; D521-E525 WeakPolarHBondContact O-CB 3.22Å; D521-E525 PolarHBondContact O-N 3.16Å; D521-L665 HydrophobicContact CB-CD2 3.86Å
522	I	93.2	Very high	93.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-44.5	175.5	-72	169.7	0	0	0	110.5	Q518 L519 D520 E525 V526 F547 L662 L665 I669	Q518-I522 WeakPolarHBondContact O-CG1 3.41Å; Q518-I522 PolarHBondContact O-N 3.39Å; Q518-I522 VanDerWaalsContact O-N 3.15Å; L519-I522 PolarHBondContact O-N 2.95Å; D520-I522 VanDerWaalsContact C-N 3.3Å; D520-I522 PolarHBondContact O-N 3.4Å; I522-E525 PolarHBondContact O-N 3.16Å; I522-V526 WeakPolarHBondContact O-CG2 3.48Å; I522-V526 PolarHBondContact O-N 3.3Å; I522-V526 VanDerWaalsContact O-N 3.11Å; I522-F547 HydrophobicContact CD1-CD2 3.67Å; I522-F547 HydrophobicContact CD1-CE2 4.11Å; I522-F547 HydrophobicContact CD1-CG 4.2Å; I522-F547 HydrophobicContact CG2-CB 4.05Å; I522-F547 HydrophobicContact CG2-CD1 4.32Å; I522-F547 HydrophobicContact CG2-CG 4.08Å; I522-L662 HydrophobicContact CG1-CD1 4.44Å; I522-L662 HydrophobicContact CG2-CD1 3.86Å; I522-L665 HydrophobicContact CD1-CB 4.31Å; I522-L665 HydrophobicContact CG1-CB 3.67Å; I522-L665 HydrophobicContact CG1-CD1 4.15Å; I522-L665 HydrophobicContact CG1-CG 4.42Å; I522-I669 HydrophobicContact CD1-CB 4.11Å; I522-I669 HydrophobicContact CD1-CD1 3.7Å; I522-I669 HydrophobicContact CD1-CG2 3.84Å
523	T	93.4	Very high	93.1	Very high	56 Å²	56	58.8 Å²	58.8	34%	0.344	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-42.4	-178.3	-55	0	0	0	0	112	L519 D520 V526 S527 I539	L519-T523 PolarHBondContact O-N 3.35Å; L519-T523 PolarHBondContact O-OG1 3.18Å; D520-T523 PolarHBondContact O-N 2.91Å; D520-T523 VanDerWaalsContact O-N 3.09Å; T523-V526 PolarHBondContact O-N 2.69Å; T523-S527 WeakPolarHBondContact O-CB 3.46Å; T523-S527 PolarHBondContact O-N 3.16Å; T523-S527 PolarHBondContact O-OG 3.37Å; T523-S527 VanDerWaalsContact O-OG 3.05Å; T523-I539 HydrophobicContact CG2-CD1 3.92Å
524	N	95.1	Very high	92.8	Very high	101 Å²	101	59.5 Å²	59.5	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-40.3	175.7	-70.9	-30.7	0	0	0	111.7	D520 S527 R528	D520-N524 VanDerWaalsContact O-CB 3.28Å; D520-N524 WeakPolarHBondContact O-CB 3.31Å; D520-N524 PolarHBondContact O-N 3.44Å; D520-N524 PolarHBondContact O-ND2 3.34Å; D520-N524 VanDerWaalsContact O-ND2 3.11Å; N524-S527 PolarHBondContact O-N 3.13Å; N524-R528 VanDerWaalsContact O-CB 3.28Å; N524-R528 WeakPolarHBondContact O-CB 3.44Å; N524-R528 PolarHBondContact O-N 2.98Å
525	E	93.7	Very high	92.5	Very high	25 Å²	25	58.3 Å²	58.3	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-42.4	177.3	178.8	61.2	-176.4	0	0	111.9	D521 I522 R528 L529 S661 L665	D521-E525 VanDerWaalsContact O-CB 3.28Å; D521-E525 WeakPolarHBondContact O-CB 3.22Å; D521-E525 PolarHBondContact O-N 3.16Å; I522-E525 PolarHBondContact O-N 3.16Å; E525-R528 PolarHBondContact O-N 3.3Å; E525-R528 IonicContact OE1-CZ 3.97Å; E525-R528 IonicContact OE1-NE 2.8Å; E525-R528 IonicContact OE1-NH2 2.74Å; E525-R528 PolarHBondContact OE1-NH2 2.86Å; E525-R528 IonicContact OE2-CZ 3.05Å; E525-R528 IonicContact OE2-NE 2.68Å; E525-R528 PolarHBondContact OE2-NE 3.06Å; E525-R528 IonicContact OE2-NH2 3.69Å; E525-R528 PolarHBondContact OE2-NH2 3.27Å; E525-L529 HydrophobicContact CG-CD1 4.39Å; E525-L529 VanDerWaalsContact O-CG 3.31Å; E525-L529 WeakPolarHBondContact O-CG 3.31Å; E525-L529 PolarHBondContact O-N 3.08Å; E525-S661 WeakPolarHBondContact OE1-CB 3.13Å; E525-S661 PolarHBondContact OE1-OG 3.38Å; E525-L665 HydrophobicContact CB-CD1 3.8Å; E525-L665 HydrophobicContact CG-CD1 4.04Å
526	V	93.1	Very high	92.3	Very high	3 Å²	3	61 Å²	61	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-69.1	-37.5	176.2	-179.6	0	0	0	0	111.6	I522 T523 L529 S530 L537 I539 I549 L662	I522-V526 WeakPolarHBondContact O-CG2 3.48Å; I522-V526 PolarHBondContact O-N 3.3Å; I522-V526 VanDerWaalsContact O-N 3.11Å; T523-V526 PolarHBondContact O-N 2.69Å; V526-L529 PolarHBondContact O-N 3.19Å; V526-S530 WeakPolarHBondContact O-CB 3.28Å; V526-S530 PolarHBondContact O-N 3.02Å; V526-L537 HydrophobicContact CG1-CB 3.81Å; V526-L537 HydrophobicContact CG1-CD1 4.49Å; V526-I539 HydrophobicContact CB-CD1 4.01Å; V526-I539 HydrophobicContact CB-CG1 3.68Å; V526-I539 HydrophobicContact CG1-CD1 4.47Å; V526-I539 HydrophobicContact CG1-CG1 3.69Å; V526-I539 HydrophobicContact CG2-CD1 4.24Å; V526-I539 HydrophobicContact CG2-CG1 3.79Å; V526-I549 HydrophobicContact CG1-CG1 4.24Å; V526-I549 HydrophobicContact CG2-CD1 4.19Å; V526-I549 HydrophobicContact CG2-CG1 3.89Å; V526-L662 HydrophobicContact CG2-CD1 4.46Å
527	S	93.6	Very high	92.2	Very high	43 Å²	43	60 Å²	60	30%	0.301	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-38.7	174.6	-69.1	0	0	0	0	112.4	T523 N524 S530 R531	T523-S527 WeakPolarHBondContact O-CB 3.46Å; T523-S527 PolarHBondContact O-N 3.16Å; T523-S527 PolarHBondContact O-OG 3.37Å; T523-S527 VanDerWaalsContact O-OG 3.05Å; N524-S527 PolarHBondContact O-N 3.13Å; S527-S530 PolarHBondContact O-N 3.26Å; S527-R531 WeakPolarHBondContact O-CG 3.42Å; S527-R531 PolarHBondContact O-N 3.45Å
528	R	94.3	Very high	91.9	Very high	92 Å²	92	63.4 Å²	63.4	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-47.9	173.6	-174.4	-168	70	73.4	0.7	110.7	N524 E525 S530 R531 Q532 E644	N524-R528 VanDerWaalsContact O-CB 3.28Å; N524-R528 WeakPolarHBondContact O-CB 3.44Å; N524-R528 PolarHBondContact O-N 2.98Å; E525-R528 PolarHBondContact O-N 3.3Å; E525-R528 IonicContact OE1-CZ 3.97Å; E525-R528 IonicContact OE1-NE 2.8Å; E525-R528 IonicContact OE1-NH2 2.74Å; E525-R528 PolarHBondContact OE1-NH2 2.86Å; E525-R528 IonicContact OE2-CZ 3.05Å; E525-R528 IonicContact OE2-NE 2.68Å; E525-R528 PolarHBondContact OE2-NE 3.06Å; E525-R528 IonicContact OE2-NH2 3.69Å; E525-R528 PolarHBondContact OE2-NH2 3.27Å; R528-S530 VanDerWaalsContact C-N 3.33Å; R528-S530 PolarHBondContact O-N 3.17Å; R528-R531 PolarHBondContact O-N 3.04Å; R528-Q532 VanDerWaalsContact O-CB 3.29Å; R528-Q532 WeakPolarHBondContact O-CB 3.45Å; R528-Q532 PolarHBondContact O-N 3.01Å; R528-E644 IonicContact NH2-OE1 2.65Å; R528-E644 PolarHBondContact NH2-OE1 3.43Å
529	L	92	Very high	91.8	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-39.2	176.4	-70.4	167.7	0	0	0	111.8	E525 V526 R531 Q532 Y533 L537 I549 E644 T659	E525-L529 HydrophobicContact CG-CD1 4.39Å; E525-L529 VanDerWaalsContact O-CG 3.31Å; E525-L529 WeakPolarHBondContact O-CG 3.31Å; E525-L529 PolarHBondContact O-N 3.08Å; V526-L529 PolarHBondContact O-N 3.19Å; L529-R531 PolarHBondContact O-N 3.35Å; L529-Q532 PolarHBondContact O-N 3.19Å; L529-Y533 HydrophobicContact CD2-CD2 4.35Å; L529-Y533 HydrophobicContact CD2-CE2 3.93Å; L529-Y533 WeakPolarHBondContact O-CD2 3.26Å; L529-Y533 PolarHBondContact O-N 3.1Å; L529-Y533 VanDerWaalsContact O-N 3.07Å; L529-L537 HydrophobicContact CB-CD1 3.49Å; L529-L537 VanDerWaalsContact CB-CD1 3.49Å; L529-I549 HydrophobicContact CD1-CD1 3.69Å; L529-E644 HydrophobicContact CD2-CG 4.48Å; L529-T659 HydrophobicContact CD1-CG2 3.6Å; L529-T659 HydrophobicContact CD2-CG2 4.42Å
530	S	91.9	Very high	91.6	Very high	35 Å²	35	63.8 Å²	63.8	25%	0.245	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-44.1	178.1	177.9	0	0	0	0	111.5	V526 S527 R528 N534 L535 L537	V526-S530 WeakPolarHBondContact O-CB 3.28Å; V526-S530 PolarHBondContact O-N 3.02Å; S527-S530 PolarHBondContact O-N 3.26Å; R528-S530 VanDerWaalsContact C-N 3.33Å; R528-S530 PolarHBondContact O-N 3.17Å; S530-N534 WeakPolarHBondContact O-CA 3.33Å; S530-N534 PolarHBondContact O-N 2.86Å; S530-L535 WeakPolarHBondContact CA-O 3.39Å; S530-L535 WeakPolarHBondContact CB-O 3.44Å; S530-L535 PolarHBondContact O-N 3.07Å; S530-L535 VanDerWaalsContact O-N 3.14Å; S530-L535 PolarHBondContact OG-O 3.07Å; S530-L537 VanDerWaalsContact N-CD1 3.33Å
531	R	91.5	Very high	91.3	Very high	203 Å²	203	61 Å²	61	77%	0.766	30%	0.296	S	S	*	.	H	α-helix	trans	-69.4	-43.9	176.1	-67.4	172.8	-168.9	156.6	4.6	112.6	S527 R528 L529 Y533 N534	S527-R531 WeakPolarHBondContact O-CG 3.42Å; S527-R531 PolarHBondContact O-N 3.45Å; R528-R531 PolarHBondContact O-N 3.04Å; L529-R531 PolarHBondContact O-N 3.35Å; R531-Y533 VanDerWaalsContact C-N 3.29Å; R531-Y533 PolarHBondContact O-N 3.38Å; R531-N534 PolarHBondContact O-N 3.37Å
532	Q	91	Very high	90.8	Very high	97 Å²	97	60 Å²	60	45%	0.453	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-39	-178	178.9	-178.5	-23.4	0	0	112.1	R528 L529 E644	R528-Q532 VanDerWaalsContact O-CB 3.29Å; R528-Q532 WeakPolarHBondContact O-CB 3.45Å; R528-Q532 PolarHBondContact O-N 3.01Å; L529-Q532 PolarHBondContact O-N 3.19Å; Q532-E644 PolarHBondContact NE2-OE2 3.3Å
533	Y	87.6	Confident	90	Very high	41 Å²	41	67.6 Å²	67.6	16%	0.161	32%	0.324	C	S	.	.	H	α-helix	trans	-103.6	-0.2	-177.7	-65.6	-67.9	0	0	0	113.9	L529 R531 L535 Y559 P642 E644 F645	L529-Y533 HydrophobicContact CD2-CD2 4.35Å; L529-Y533 HydrophobicContact CD2-CE2 3.93Å; L529-Y533 WeakPolarHBondContact O-CD2 3.26Å; L529-Y533 PolarHBondContact O-N 3.1Å; L529-Y533 VanDerWaalsContact O-N 3.07Å; R531-Y533 VanDerWaalsContact C-N 3.29Å; R531-Y533 PolarHBondContact O-N 3.38Å; Y533-L535 PolarHBondContact O-N 3.33Å; Y533-Y559 VanDerWaalsContact O-CE2 3.26Å; Y533-Y559 WeakPolarHBondContact O-CE2 3.25Å; Y533-P642 HydrophobicContact CD1-CB 3.97Å; Y533-P642 HydrophobicContact CD1-CG 3.52Å; Y533-P642 HydrophobicContact CE1-CB 3.45Å; Y533-P642 VanDerWaalsContact CE1-CB 3.45Å; Y533-P642 HydrophobicContact CE1-CG 3.57Å; Y533-P642 HydrophobicContact CE2-CB 4.42Å; Y533-P642 HydrophobicContact CG-CG 4.07Å; Y533-E644 PolarHBondContact OH-OE2 3.19Å; Y533-F645 AromaticContact CD2-CE2 3.69Å; Y533-F645 HydrophobicContact CD2-CE2 3.69Å; Y533-F645 AromaticContact CD2-CZ 3.89Å; Y533-F645 HydrophobicContact CD2-CZ 3.89Å; Y533-F645 AromaticContact CE2-CE2 3.88Å; Y533-F645 HydrophobicContact CE2-CE2 3.88Å; Y533-F645 HydrophobicContact CE2-CZ 4.27Å; Y533-F645 HydrophobicContact CG-CE2 4.2Å
534	N	87.3	Confident	89.3	Confident	148 Å²	148	69.7 Å²	69.7	79%	0.791	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	42.9	-174	-162.4	38.9	0	0	0	113.1	S530 R531	S530-N534 WeakPolarHBondContact O-CA 3.33Å; S530-N534 PolarHBondContact O-N 2.86Å; R531-N534 PolarHBondContact O-N 3.37Å
535	L	88.1	Confident	88.6	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	34%	0.342	C	S	.	.			trans	-114.8	141.8	179.9	-75.7	171.8	0	0	0	109.9	S530 Y533 L537 L556 Y559	S530-L535 WeakPolarHBondContact CA-O 3.39Å; S530-L535 WeakPolarHBondContact CB-O 3.44Å; S530-L535 PolarHBondContact O-N 3.07Å; S530-L535 VanDerWaalsContact O-N 3.14Å; S530-L535 PolarHBondContact OG-O 3.07Å; Y533-L535 PolarHBondContact O-N 3.33Å; L535-L537 VanDerWaalsContact C-N 3.31Å; L535-L537 HydrophobicContact CB-CD2 3.75Å; L535-L537 HydrophobicContact CB-CG 4.29Å; L535-L537 PolarHBondContact O-N 3.35Å; L535-L556 HydrophobicContact CD1-CD2 4.05Å; L535-L556 HydrophobicContact CD2-CD2 4.12Å; L535-Y559 HydrophobicContact CD1-CD2 4.32Å; L535-Y559 HydrophobicContact CD1-CE2 4.37Å; L535-Y559 HydrophobicContact CD2-CD2 3.79Å; L535-Y559 HydrophobicContact CD2-CG 4.09Å; L535-Y559 HydrophobicContact CG-CD2 4.02Å; L535-Y559 HydrophobicContact CG-CE2 4.26Å
536	P	89.3	Confident	88.3	Confident	60 Å²	60	70.1 Å²	70.1	39%	0.39	34%	0.344	S	S	.	.			trans	-76.2	83.3	176.1	30.3	-32.1	0	0	0	110.2	P552 S555	P536-P552 HydrophobicContact CG-CG 4.3Å; P536-P552 WeakPolarHBondContact O-CD 3.43Å; P536-S555 WeakPolarHBondContact CG-OG 3.33Å
537	L	91.8	Very high	88.2	Confident	20 Å²	20	70.3 Å²	70.3	11%	0.105	35%	0.345	C	S	.	.			trans	-85.1	128.4	180	-52	-174.4	0	0	0	110.3	V526 L529 S530 L535 I549 I551 F645	V526-L537 HydrophobicContact CG1-CB 3.81Å; V526-L537 HydrophobicContact CG1-CD1 4.49Å; L529-L537 HydrophobicContact CB-CD1 3.49Å; L529-L537 VanDerWaalsContact CB-CD1 3.49Å; S530-L537 VanDerWaalsContact N-CD1 3.33Å; L535-L537 VanDerWaalsContact C-N 3.31Å; L535-L537 HydrophobicContact CB-CD2 3.75Å; L535-L537 HydrophobicContact CB-CG 4.29Å; L535-L537 PolarHBondContact O-N 3.35Å; L537-I549 HydrophobicContact CB-CG2 3.9Å; L537-I549 HydrophobicContact CD1-CG2 4.24Å; L537-I549 HydrophobicContact CD2-CG2 3.92Å; L537-I549 HydrophobicContact CG-CG2 4.23Å; L537-I551 HydrophobicContact CD2-CB 4.48Å; L537-I551 HydrophobicContact CD2-CD1 3.57Å; L537-I551 HydrophobicContact CD2-CG1 3.57Å; L537-I551 HydrophobicContact CD2-CG2 4.32Å; L537-F645 HydrophobicContact CD1-CE1 4.1Å; L537-F645 HydrophobicContact CD1-CZ 3.98Å; L537-F645 HydrophobicContact CD2-CE1 4.42Å; L537-F645 HydrophobicContact CD2-CZ 4.28Å
538	R	89.5	Confident	88.1	Confident	170 Å²	170	69.6 Å²	69.6	64%	0.642	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.8	172.9	-65.9	-178.4	179.8	-179.6	-0.6	110.5	Q550	R538-Q550 HydrophobicContact CB-CB 4.19Å; R538-Q550 PolarHBondContact N-O 2.97Å; R538-Q550 PolarHBondContact O-N 3.11Å
539	I	90.8	Very high	88.1	Confident	61 Å²	61	65.2 Å²	65.2	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.6	172.6	-55.6	173.5	0	0	0	107.9	T523 V526 F547	T523-I539 HydrophobicContact CG2-CD1 3.92Å; V526-I539 HydrophobicContact CB-CD1 4.01Å; V526-I539 HydrophobicContact CB-CG1 3.68Å; V526-I539 HydrophobicContact CG1-CD1 4.47Å; V526-I539 HydrophobicContact CG1-CG1 3.69Å; V526-I539 HydrophobicContact CG2-CD1 4.24Å; V526-I539 HydrophobicContact CG2-CG1 3.79Å; I539-F547 HydrophobicContact CG2-CD1 3.76Å; I539-F547 HydrophobicContact CG2-CE1 4.47Å
540	S	88.7	Confident	88.1	Confident	23 Å²	23	67.4 Å²	67.4	16%	0.161	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.9	171.5	-74.9	0	0	0	0	110.3	F547 Y548 Q550	S540-F547 CarbonylContact O-C 3.4Å; S540-F547 VanDerWaalsContact O-CA 3.26Å; S540-F547 WeakPolarHBondContact O-CA 3.13Å; S540-Y548 PolarHBondContact N-O 2.98Å; S540-Y548 PolarHBondContact O-N 3.1Å; S540-Y548 VanDerWaalsContact O-O 3.11Å; S540-Q550 WeakPolarHBondContact OG-CG 3.26Å; S540-Q550 PolarHBondContact OG-NE2 2.91Å; S540-Q550 PolarHBondContact OG-OE1 2.96Å
541	H	86.6	Confident	88.1	Confident	35 Å²	35	65.8 Å²	65.8	16%	0.162	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.2	-177.8	172.9	-81.8	0	0	0	110.7	R493 G546 F547	R493-H541 PolarHBondContact NH1-CD2 2.58Å; R493-H541 PolarHBondContact NH1-CE1 2.76Å; R493-H541 VanDerWaalsContact NH1-CE1 3.3Å; R493-H541 PolarHBondContact NH1-NE2 3.29Å; R493-H541 PolarHBondContact NH2-CE1 2.85Å; R493-H541 VanDerWaalsContact NH2-CE1 3.28Å; R493-H541 PolarHBondContact NH2-NE2 3.06Å; H541-G546 WeakPolarHBondContact CA-O 3.22Å; H541-G546 VanDerWaalsContact CD2-C 3.43Å; H541-F547 HydrophobicContact CB-CD1 3.85Å; H541-F547 HydrophobicContact CB-CE1 3.92Å; H541-F547 HydrophobicContact CB-CG 4.44Å; H541-F547 AromaticContact CD2-CD2 3.86Å; H541-F547 AromaticContact CD2-CE2 3.84Å
542	N	84.4	Confident	87.9	Confident	42 Å²	42	58.1 Å²	58.1	23%	0.225	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.6	167.5	72.6	40	0	0	0	111.4	A544 R545 G546 Y548	N542-A544 VanDerWaalsContact C-N 3.27Å; N542-A544 PolarHBondContact O-N 3.35Å; N542-A544 PolarHBondContact OD1-N 2.83Å; N542-A544 VanDerWaalsContact OD1-N 3.16Å; N542-R545 WeakPolarHBondContact OD1-CB 3.5Å; N542-R545 PolarHBondContact OD1-N 3.44Å; N542-G546 PolarHBondContact N-O 2.91Å; N542-G546 WeakPolarHBondContact O-CA 3.36Å; N542-G546 PolarHBondContact O-N 3.24Å; N542-Y548 HydrophobicContact CB-CE1 3.9Å; N542-Y548 WeakPolarHBondContact ND2-CE1 3.44Å
543	K	77.2	Confident	87.5	Confident	161 Å²	161	54.4 Å²	54.4	70%	0.7	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.4	-175.2	-168	174	-177.5	177.5	0	113.7	M489	M489-K543 HydrophobicContact CE-CB 3.93Å; M489-K543 HydrophobicContact SD-CB 4.06Å
544	A	77.7	Confident	87.2	Confident	99 Å²	99	59.8 Å²	59.8	82%	0.818	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-38.7	-173.4	0	0	0	0	0	113.3	N542	N542-A544 VanDerWaalsContact C-N 3.27Å; N542-A544 PolarHBondContact O-N 3.35Å; N542-A544 PolarHBondContact OD1-N 2.83Å; N542-A544 VanDerWaalsContact OD1-N 3.16Å
545	R	81.3	Confident	86.8	Confident	119 Å²	119	54.2 Å²	54.2	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-19.6	-175.7	-61.8	-170.3	179.8	131.6	-3.5	113.5	N542 Y548 F649	N542-R545 WeakPolarHBondContact OD1-CB 3.5Å; N542-R545 PolarHBondContact OD1-N 3.44Å; R545-Y548 HydrophobicContact CB-CD1 4.37Å; R545-F649 VanDerWaalsContact NH2-CZ 3.32Å
546	G	86.5	Confident	86.3	Confident	16 Å²	16	54.1 Å²	54.1	17%	0.165	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.5	-143.9	-164.5	0	0	0	0	0	110.3	H541 N542	H541-G546 WeakPolarHBondContact CA-O 3.22Å; H541-G546 VanDerWaalsContact CD2-C 3.43Å; N542-G546 PolarHBondContact N-O 2.91Å; N542-G546 WeakPolarHBondContact O-CA 3.36Å; N542-G546 PolarHBondContact O-N 3.24Å
547	F	91.5	Very high	85.5	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.3	174	-66.1	-86.4	0	0	0	110.8	L490 L519 I522 I539 S540 H541 L662 N666 I669	L490-F547 HydrophobicContact CD1-CE1 4.28Å; L490-F547 HydrophobicContact CD1-CZ 4.1Å; L519-F547 HydrophobicContact CD1-CE1 4.02Å; L519-F547 HydrophobicContact CD1-CE2 4.34Å; L519-F547 HydrophobicContact CD1-CZ 3.65Å; I522-F547 HydrophobicContact CD1-CD2 3.67Å; I522-F547 HydrophobicContact CD1-CE2 4.11Å; I522-F547 HydrophobicContact CD1-CG 4.2Å; I522-F547 HydrophobicContact CG2-CB 4.05Å; I522-F547 HydrophobicContact CG2-CD1 4.32Å; I522-F547 HydrophobicContact CG2-CG 4.08Å; I539-F547 HydrophobicContact CG2-CD1 3.76Å; I539-F547 HydrophobicContact CG2-CE1 4.47Å; S540-F547 CarbonylContact O-C 3.4Å; S540-F547 VanDerWaalsContact O-CA 3.26Å; S540-F547 WeakPolarHBondContact O-CA 3.13Å; H541-F547 HydrophobicContact CB-CD1 3.85Å; H541-F547 HydrophobicContact CB-CE1 3.92Å; H541-F547 HydrophobicContact CB-CG 4.44Å; H541-F547 AromaticContact CD2-CD2 3.86Å; H541-F547 AromaticContact CD2-CE2 3.84Å; F547-L662 HydrophobicContact CB-CD1 4.35Å; F547-L662 WeakPolarHBondContact O-CD2 3.47Å; F547-N666 WeakPolarHBondContact CB-OD1 3.38Å; F547-N666 WeakPolarHBondContact CD2-OD1 3.47Å; F547-N666 PolarHBondContact N-OD1 3.18Å; F547-N666 PolarHBondContact O-ND2 2.9Å; F547-I669 HydrophobicContact CD2-CG2 4.4Å; F547-I669 HydrophobicContact CE2-CD1 3.9Å; F547-I669 HydrophobicContact CE2-CG2 4.37Å
548	Y	91.8	Very high	84.4	Confident	27 Å²	27	62 Å²	62	11%	0.106	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	167.4	177.3	64.5	-86.9	0	0	0	109.8	S540 N542 R545 Q550 H656	S540-Y548 PolarHBondContact N-O 2.98Å; S540-Y548 PolarHBondContact O-N 3.1Å; S540-Y548 VanDerWaalsContact O-O 3.11Å; N542-Y548 HydrophobicContact CB-CE1 3.9Å; N542-Y548 WeakPolarHBondContact ND2-CE1 3.44Å; R545-Y548 HydrophobicContact CB-CD1 4.37Å; Y548-Q550 HydrophobicContact CD2-CG 4.28Å; Y548-Q550 HydrophobicContact CE2-CG 3.71Å; Y548-H656 HydrophobicContact CD2-CB 4.38Å; Y548-H656 HydrophobicContact CE2-CB 4.47Å; Y548-H656 AromaticContact CE2-ND1 3.43Å; Y548-H656 WeakPolarHBondContact CE2-ND1 3.27Å
549	I	93.7	Very high	83.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.6	-176.4	-62.5	166	0	0	0	109.1	V526 L529 L537 I551 F645 H656 C657 T659 L662	V526-I549 HydrophobicContact CG1-CG1 4.24Å; V526-I549 HydrophobicContact CG2-CD1 4.19Å; V526-I549 HydrophobicContact CG2-CG1 3.89Å; L529-I549 HydrophobicContact CD1-CD1 3.69Å; L537-I549 HydrophobicContact CB-CG2 3.9Å; L537-I549 HydrophobicContact CD1-CG2 4.24Å; L537-I549 HydrophobicContact CD2-CG2 3.92Å; L537-I549 HydrophobicContact CG-CG2 4.23Å; I549-I551 HydrophobicContact CG2-CD1 4.46Å; I549-I551 HydrophobicContact CG2-CG1 3.99Å; I549-F645 HydrophobicContact CD1-CD1 4.4Å; I549-F645 HydrophobicContact CD1-CE1 4.01Å; I549-F645 HydrophobicContact CG2-CE1 4.49Å; I549-H656 WeakPolarHBondContact O-CA 3.41Å; I549-C657 PolarHBondContact N-O 3.14Å; I549-C657 PolarHBondContact O-N 3.22Å; I549-T659 HydrophobicContact CD1-CG2 4.22Å; I549-L662 HydrophobicContact CD1-CD2 4.11Å; I549-L662 HydrophobicContact CG1-CD2 3.84Å
550	Q	92.2	Very high	82.3	Confident	47 Å²	47	57.9 Å²	57.9	22%	0.22	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.6	169.2	-76.3	-175.4	-15.1	0	0	109.9	R538 S540 Y548 V654 V655 H656	R538-Q550 HydrophobicContact CB-CB 4.19Å; R538-Q550 PolarHBondContact N-O 2.97Å; R538-Q550 PolarHBondContact O-N 3.11Å; S540-Q550 WeakPolarHBondContact OG-CG 3.26Å; S540-Q550 PolarHBondContact OG-NE2 2.91Å; S540-Q550 PolarHBondContact OG-OE1 2.96Å; Y548-Q550 HydrophobicContact CD2-CG 4.28Å; Y548-Q550 HydrophobicContact CE2-CG 3.71Å; Q550-V654 HydrophobicContact CB-CG1 3.75Å; Q550-V654 HydrophobicContact CG-CG1 3.84Å; Q550-V655 CarbonylContact C-O 3.54Å; Q550-V655 WeakPolarHBondContact CA-O 3.24Å; Q550-H656 WeakPolarHBondContact CG-ND1 3.36Å; Q550-H656 PolarHBondContact NE2-CE1 3.36Å
551	I	90.7	Very high	80.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.3	177.9	-42.6	-175.9	0	0	0	107.4	L537 I549 E553 L556 F645 V655	L537-I551 HydrophobicContact CD2-CB 4.48Å; L537-I551 HydrophobicContact CD2-CD1 3.57Å; L537-I551 HydrophobicContact CD2-CG1 3.57Å; L537-I551 HydrophobicContact CD2-CG2 4.32Å; I549-I551 HydrophobicContact CG2-CD1 4.46Å; I549-I551 HydrophobicContact CG2-CG1 3.99Å; I551-E553 PolarHBondContact O-N 3.48Å; I551-L556 HydrophobicContact CB-CD1 4.48Å; I551-L556 HydrophobicContact CG2-CD1 4.21Å; I551-L556 HydrophobicContact CG2-CD2 4.16Å; I551-L556 HydrophobicContact CG2-CG 3.97Å; I551-F645 HydrophobicContact CD1-CE1 4.34Å; I551-V655 HydrophobicContact CB-CB 4.34Å; I551-V655 PolarHBondContact N-O 3.06Å; I551-V655 PolarHBondContact O-N 2.88Å
552	P	88.5	Confident	79.2	Confident	42 Å²	42	65.4 Å²	65.4	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	130	170.7	-20.1	31.5	0	0	0	110.3	P536 E554 S555	P536-P552 HydrophobicContact CG-CG 4.3Å; P536-P552 WeakPolarHBondContact O-CD 3.43Å; P552-E554 PolarHBondContact O-N 3.25Å; P552-S555 WeakPolarHBondContact O-CB 3.4Å; P552-S555 PolarHBondContact O-N 2.99Å; P552-S555 VanDerWaalsContact O-N 3.14Å
553	E	82.6	Confident	77.2	Confident	19 Å²	19	68.8 Å²	68.8	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-35.6	-177.9	-173.2	-166.8	132	0	0	111.9	I551 S555 L556 K557 I637 N653	I551-E553 PolarHBondContact O-N 3.48Å; E553-S555 VanDerWaalsContact C-N 3.26Å; E553-S555 PolarHBondContact O-N 3.09Å; E553-L556 WeakPolarHBondContact O-CB 3.49Å; E553-L556 PolarHBondContact O-N 3.07Å; E553-K557 PolarHBondContact O-N 2.86Å; E553-K557 WeakPolarHBondContact OE1-CE 3.34Å; E553-K557 IonicContact OE1-NZ 3.6Å; E553-K557 PolarHBondContact OE1-NZ 3.42Å; E553-I637 HydrophobicContact CG-CD1 4.24Å; E553-I637 HydrophobicContact CG-CG2 4.22Å; E553-I637 WeakPolarHBondContact OE1-CD1 3.36Å; E553-N653 WeakPolarHBondContact CB-O 3.48Å; E553-N653 PolarHBondContact N-O 3.28Å
554	E	80.4	Confident	75.4	Confident	155 Å²	155	67.1 Å²	67.1	72%	0.724	38%	0.381	S	S	*	.	H	α-helix	trans	-59.8	-36.4	178.5	-168.7	167.1	-156.3	0	0	112.6	P552 L556 K557	P552-E554 PolarHBondContact O-N 3.25Å; E554-L556 PolarHBondContact O-N 3.06Å; E554-K557 PolarHBondContact O-N 3.22Å
555	S	80.2	Confident	73.2	Confident	30 Å²	30	67.4 Å²	67.4	21%	0.21	38%	0.377	C	S	.	.	H	α-helix	trans	-68.4	-20.4	176.1	-50.3	0	0	0	0	113.1	P536 P552 E553 T558 Y559	P536-S555 WeakPolarHBondContact CG-OG 3.33Å; P552-S555 WeakPolarHBondContact O-CB 3.4Å; P552-S555 PolarHBondContact O-N 2.99Å; P552-S555 VanDerWaalsContact O-N 3.14Å; E553-S555 VanDerWaalsContact C-N 3.26Å; E553-S555 PolarHBondContact O-N 3.09Å; S555-T558 PolarHBondContact O-OG1 3.35Å; S555-Y559 WeakPolarHBondContact O-CB 3.28Å; S555-Y559 PolarHBondContact O-N 2.95Å
556	L	77.4	Confident	70.8	Confident	2 Å²	2	71 Å²	71	1%	0.01	40%	0.396	C	S	.	.	H	α-helix	trans	-87.3	-21.1	176.1	-67.5	170.2	0	0	0	112.9	L535 I551 E553 E554 Y559 I637 L641 V655	L535-L556 HydrophobicContact CD1-CD2 4.05Å; L535-L556 HydrophobicContact CD2-CD2 4.12Å; I551-L556 HydrophobicContact CB-CD1 4.48Å; I551-L556 HydrophobicContact CG2-CD1 4.21Å; I551-L556 HydrophobicContact CG2-CD2 4.16Å; I551-L556 HydrophobicContact CG2-CG 3.97Å; E553-L556 WeakPolarHBondContact O-CB 3.49Å; E553-L556 PolarHBondContact O-N 3.07Å; E554-L556 PolarHBondContact O-N 3.06Å; L556-Y559 PolarHBondContact O-N 3.3Å; L556-I637 HydrophobicContact CB-CG2 4.46Å; L556-I637 HydrophobicContact CD1-CG2 4.4Å; L556-L641 HydrophobicContact CD1-CD1 3.42Å; L556-L641 VanDerWaalsContact CD1-CD1 3.42Å; L556-L641 HydrophobicContact CD2-CD1 3.62Å; L556-L641 HydrophobicContact CG-CD1 4.17Å; L556-V655 HydrophobicContact CD1-CB 3.91Å; L556-V655 HydrophobicContact CD1-CG1 4.32Å; L556-V655 HydrophobicContact CD1-CG2 3.4Å
557	K	72.4	Confident	68.1	Low	133 Å²	133	76.1 Å²	76.1	58%	0.578	43%	0.426	S	S	*	.	H	α-helix	trans	-70.6	-34.8	174.9	-68.3	176.7	-177.5	164.7	0	111.5	E553 E554	E553-K557 PolarHBondContact O-N 2.86Å; E553-K557 WeakPolarHBondContact OE1-CE 3.34Å; E553-K557 IonicContact OE1-NZ 3.6Å; E553-K557 PolarHBondContact OE1-NZ 3.42Å; E554-K557 PolarHBondContact O-N 3.22Å
558	T	68.5	Low	65.1	Low	113 Å²	113	80.9 Å²	80.9	69%	0.693	46%	0.461	S	S	*	.	S	Bend	trans	-89.1	-8.6	176.8	52	0	0	0	0	113.4	S555 T560	S555-T558 PolarHBondContact O-OG1 3.35Å; T558-T560 PolarHBondContact O-N 3.32Å
559	Y	71.4	Confident	62	Low	33 Å²	33	91 Å²	91	13%	0.129	50%	0.5	C	S	.	.			trans	-73.8	120.5	-179.7	-178.2	-107.8	0	0	0	111.6	Y533 L535 S555 L556 K561 P642	Y533-Y559 VanDerWaalsContact O-CE2 3.26Å; Y533-Y559 WeakPolarHBondContact O-CE2 3.25Å; L535-Y559 HydrophobicContact CD1-CD2 4.32Å; L535-Y559 HydrophobicContact CD1-CE2 4.37Å; L535-Y559 HydrophobicContact CD2-CD2 3.79Å; L535-Y559 HydrophobicContact CD2-CG 4.09Å; L535-Y559 HydrophobicContact CG-CD2 4.02Å; L535-Y559 HydrophobicContact CG-CE2 4.26Å; S555-Y559 WeakPolarHBondContact O-CB 3.28Å; S555-Y559 PolarHBondContact O-N 2.95Å; L556-Y559 PolarHBondContact O-N 3.3Å; Y559-K561 HydrophobicContact CE1-CG 3.82Å; Y559-P642 HydrophobicContact CE1-CG 4.11Å
560	T	63.5	Low	58.9	Low	111 Å²	111	96 Å²	96	68%	0.681	54%	0.535	S	S	*	.			trans	-105.3	124.1	170.5	49.6	0	0	0	0	109.1	T558 T562	T558-T560 PolarHBondContact O-N 3.32Å; T560-T562 PolarHBondContact O-N 3.14Å
561	K	57.9	Low	55.7	Low	99 Å²	99	99.5 Å²	99.5	43%	0.43	57%	0.565	S	S	.	*			trans	-61.5	106.7	176.1	-82	-177.3	176.2	177.3	0	108.9	Y559 S563 Q639 N640 L641	Y559-K561 HydrophobicContact CE1-CG 3.82Å; K561-S563 PolarHBondContact O-N 3.15Å; K561-S563 VanDerWaalsContact O-N 3.09Å; K561-Q639 PolarHBondContact NZ-O 3.02Å; K561-N640 WeakPolarHBondContact CE-O 3.36Å; K561-L641 VanDerWaalsContact CE-O 3.25Å; K561-L641 WeakPolarHBondContact CE-O 3.47Å; K561-L641 PolarHBondContact NZ-O 3.2Å
562	T	53.2	Low	52.6	Low	118 Å²	118	104.9 Å²	104.9	72%	0.724	60%	0.603	S	S	*	*			trans	-69.7	104.6	168.8	53.6	0	0	0	0	108.1	T560 S564	T560-T562 PolarHBondContact O-N 3.14Å; T562-S564 PolarHBondContact O-N 2.89Å; T562-S564 VanDerWaalsContact O-N 3.13Å
563	S	42.4	Very low	49.5	Very low	113 Å²	113	108.9 Å²	108.9	79%	0.79	63%	0.627	S	S	*	*			trans	-50.8	118.7	175.7	-57.7	0	0	0	0	110.3	K561 S565	K561-S563 PolarHBondContact O-N 3.15Å; K561-S563 VanDerWaalsContact O-N 3.09Å; S563-S565 PolarHBondContact O-N 2.86Å
564	S	39.3	Very low	46.6	Very low	125 Å²	125	115.5 Å²	115.5	87%	0.874	66%	0.662	S	S	*	*			trans	-63	92	-178.5	55.3	0	0	0	0	111.9	T562	T562-S564 PolarHBondContact O-N 2.89Å; T562-S564 VanDerWaalsContact O-N 3.13Å
565	S	32.6	Very low	44	Very low	105 Å²	105	113.2 Å²	113.2	73%	0.734	66%	0.663	S	S	*	*			trans	-101.6	114.6	153.4	51.8	0	0	0	0	107.7	S563	S563-S565 PolarHBondContact O-N 2.86Å
566	K	29.6	Very low	41.3	Very low	196 Å²	196	119 Å²	119	85%	0.852	69%	0.692	S	S	*	*			trans	-51.6	130	177.7	-72.8	173.1	174.7	175.7	0	109.3	S568	K566-S568 PolarHBondContact O-N 2.77Å; K566-S568 VanDerWaalsContact O-N 3.11Å
567	P	30	Very low	39	Very low	123 Å²	123	127 Å²	127	80%	0.799	73%	0.734	S	S	*	*			trans	-72.2	111.1	-178.5	1.4	12	0	0	0	108.8	Y569	P567-Y569 PolarHBondContact O-N 2.92Å
568	S	28.4	Very low	36.7	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	74%	0.742	S	S	*	*			trans	-70.6	118.7	166.6	47.2	0	0	0	0	108.8	K566 S570	K566-S568 PolarHBondContact O-N 2.77Å; K566-S568 VanDerWaalsContact O-N 3.11Å; S568-S570 PolarHBondContact O-N 3.06Å; S568-S570 VanDerWaalsContact O-N 3.09Å
569	Y	27.1	Very low	34.5	Very low	238 Å²	238	127.7 Å²	127.7	93%	0.933	74%	0.744	S	S	*	*			trans	-53.5	108.9	174	-76.4	-96.5	0	0	0	111.1	P567	P567-Y569 PolarHBondContact O-N 2.92Å
570	S	28	Very low	32.3	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	78%	0.775	S	S	*	*			trans	-123.7	97.1	155.8	61.1	0	0	0	0	108.1	S568 S572	S568-S570 PolarHBondContact O-N 3.06Å; S568-S570 VanDerWaalsContact O-N 3.09Å; S570-S572 PolarHBondContact O-N 2.8Å
571	S	25.2	Very low	30.3	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	77%	0.772	S	S	*	*			trans	-60.5	116.5	166.8	40.8	0	0	0	0	110.7
572	S	26.6	Very low	28.7	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	79%	0.792	S	S	*	*			trans	-150.3	119.5	156.3	57.7	0	0	0	0	110.3	S570	S570-S572 PolarHBondContact O-N 2.8Å
573	T	22.6	Very low	27.2	Very low	126 Å²	126	139.2 Å²	139.2	77%	0.773	80%	0.797	S	S	*	*			trans	-71.6	163.3	-175.8	-28.1	0	0	0	0	112.7
574	L	22.7	Very low	26.3	Very low	158 Å²	158	141.1 Å²	141.1	83%	0.827	80%	0.798	S	S	*	*			trans	76.9	136.3	173.7	-76.6	77.5	0	0	0	114.5
575	S	24.3	Very low	25.5	Very low	106 Å²	106	142 Å²	142	74%	0.741	79%	0.792	S	S	*	*			cis	-163.2	152.4	17.7	38.5	0	0	0	0	110.8
576	N	24.9	Very low	24.8	Very low	153 Å²	153	145.5 Å²	145.5	82%	0.818	79%	0.794	S	S	*	*			trans	-3.3	124.3	159.4	-59.8	-17.1	0	0	0	119
577	N	28.7	Very low	24.4	Very low	168 Å²	168	142.7 Å²	142.7	90%	0.898	79%	0.787	S	S	*	*			trans	-152.4	115.7	132.7	-118.7	-13.1	0	0	0	110.9
578	V	24.3	Very low	23.9	Very low	123 Å²	123	144.6 Å²	144.6	75%	0.745	79%	0.785	S	S	*	*			trans	-65.5	136	165	172.8	0	0	0	0	107.7
579	N	22.7	Very low	23.5	Very low	138 Å²	138	143.8 Å²	143.8	74%	0.738	79%	0.785	S	S	*	*			trans	179.8	131	135.9	-91	-18.5	0	0	0	115.2
580	F	24.5	Very low	23.2	Very low	177 Å²	177	141 Å²	141	78%	0.776	78%	0.781	S	S	*	*			trans	71.4	100	153.1	-81.9	-91.3	0	0	0	121.6
581	S	21.4	Very low	22.8	Very low	89 Å²	89	145.6 Å²	145.6	62%	0.622	79%	0.79	S	S	*	*			trans	-4.7	113.6	133.5	52.7	0	0	0	0	116.8
582	N	24	Very low	22.6	Very low	158 Å²	158	148.6 Å²	148.6	85%	0.845	79%	0.791	S	S	*	*			trans	-112.4	104.6	143.9	-80.4	-17.7	0	0	0	106.3	N584	N582-N584 PolarHBondContact O-N 2.97Å
583	E	22.3	Very low	22.3	Very low	179 Å²	179	149.3 Å²	149.3	84%	0.836	79%	0.791	S	S	*	*			trans	-54.3	133.6	171.6	-71	-176.5	144.4	0	0	109.8	I585	E583-I585 PolarHBondContact O-N 3.06Å
584	N	23.8	Very low	22.3	Very low	153 Å²	153	152.3 Å²	152.3	82%	0.818	80%	0.796	S	S	*	*			trans	-63.3	102.8	172.3	-65.6	-53	0	0	0	108.4	N582 F586	N582-N584 PolarHBondContact O-N 2.97Å; N584-F586 PolarHBondContact O-N 2.96Å
585	I	21.2	Very low	22.2	Very low	145 Å²	145	153.5 Å²	153.5	74%	0.744	80%	0.797	S	S	*	*			trans	-66.5	100.1	167.5	-60.6	176.6	0	0	0	106.9	E583 I587	E583-I585 PolarHBondContact O-N 3.06Å; I585-I587 HydrophobicContact CG2-CD1 4.27Å; I585-I587 HydrophobicContact CG2-CG1 3.66Å; I585-I587 PolarHBondContact O-N 3.37Å
586	F	19	Very low	22	Very low	178 Å²	178	157.5 Å²	157.5	78%	0.781	80%	0.804	S	S	*	*			trans	-65.8	101.1	163.7	-123.4	-100.9	0	0	0	106.8	N584 E588	N584-F586 PolarHBondContact O-N 2.96Å; F586-E588 HydrophobicContact CD1-CG 4.21Å
587	I	20.9	Very low	21.8	Very low	137 Å²	137	159.2 Å²	159.2	70%	0.703	81%	0.808	S	S	*	*			trans	-93.4	95.7	166.5	-55.8	-177.3	0	0	0	106.4	I585 A589	I585-I587 HydrophobicContact CG2-CD1 4.27Å; I585-I587 HydrophobicContact CG2-CG1 3.66Å; I585-I587 PolarHBondContact O-N 3.37Å; I587-A589 HydrophobicContact CG2-CB 4.33Å; I587-A589 PolarHBondContact O-N 3.27Å
588	E	18.4	Very low	21.4	Very low	163 Å²	163	159.1 Å²	159.1	76%	0.762	81%	0.807	S	S	*	*			trans	-68.9	99.7	156.4	-67.9	-178.7	166.1	0	0	106.5	F586	F586-E588 HydrophobicContact CD1-CG 4.21Å
589	A	21.4	Very low	21.3	Very low	90 Å²	90	162.3 Å²	162.3	74%	0.744	81%	0.814	S	S	*	*			trans	-92.6	104.5	169.1	0	0	0	0	0	107.3	I587	I587-A589 HydrophobicContact CG2-CB 4.33Å; I587-A589 PolarHBondContact O-N 3.27Å
590	E	19.7	Very low	21.2	Very low	180 Å²	180	165 Å²	165	84%	0.841	82%	0.822	S	S	*	*			trans	-58.6	149.1	174.6	-67.7	-179.6	149.4	0	0	111.4	E592	E590-E592 PolarHBondContact O-N 3.14Å
591	E	20	Very low	21.1	Very low	202 Å²	202	163.3 Å²	163.3	94%	0.944	82%	0.816	S	S	*	*			trans	-63.7	95.4	-177.3	-64.5	178.2	146.7	0	0	111.2
592	E	21.4	Very low	21.1	Very low	183 Å²	183	162.4 Å²	162.4	86%	0.855	82%	0.822	S	S	*	*			trans	-87	122.8	167.7	-75.4	-173	173.3	0	0	111.4	E590 E594	E590-E592 PolarHBondContact O-N 3.14Å; E592-E594 PolarHBondContact O-N 2.99Å
593	T	20.5	Very low	21.1	Very low	130 Å²	130	162.2 Å²	162.2	80%	0.798	82%	0.82	S	S	*	*			trans	-53.3	119	177.4	38.5	0	0	0	0	112.7	E595	T593-E595 PolarHBondContact O-N 3.29Å
594	E	22.5	Very low	21.2	Very low	188 Å²	188	161.6 Å²	161.6	88%	0.879	82%	0.821	S	S	*	*			trans	-68.6	107.8	172.7	-67.3	-174.6	161.8	0	0	110.3	E592	E592-E594 PolarHBondContact O-N 2.99Å
595	E	19.3	Very low	21.1	Very low	183 Å²	183	161.7 Å²	161.7	86%	0.855	82%	0.817	S	S	*	*			trans	-73.9	144.6	165.7	-69.7	-172.9	159.2	0	0	111.1	T593	T593-E595 PolarHBondContact O-N 3.29Å
596	E	20.3	Very low	21.2	Very low	190 Å²	190	159.7 Å²	159.7	89%	0.888	82%	0.821	S	S	*	*			trans	-74.3	119	-176.1	-63.1	177.6	148.7	0	0	110.7
597	E	20.9	Very low	21.4	Very low	190 Å²	190	161.1 Å²	161.1	89%	0.888	82%	0.823	S	S	*	*			trans	-127.1	117.5	159.9	-74.5	-167.1	162	0	0	110.8	E599	E597-E599 PolarHBondContact O-N 3.4Å
598	D	21.9	Very low	21.5	Very low	166 Å²	166	163.9 Å²	163.9	89%	0.888	83%	0.83	S	S	*	*			trans	-65.8	112.6	175.4	-76.6	-48.2	0	0	0	111
599	E	20.8	Very low	21.7	Very low	189 Å²	189	163.2 Å²	163.2	88%	0.883	83%	0.83	S	S	*	*			trans	-130.1	130.9	163.5	-84.4	-162.9	154.3	0	0	113.9	E597	E597-E599 PolarHBondContact O-N 3.4Å
600	Q	21.7	Very low	21.9	Very low	194 Å²	194	165.7 Å²	165.7	91%	0.907	83%	0.83	S	S	*	*			trans	-70.4	137.6	-163.5	-67.1	168.2	-3.7	0	0	112.4	G602	Q600-G602 PolarHBondContact O-N 3.49Å
601	Q	22.4	Very low	22	Very low	142 Å²	142	165.5 Å²	165.5	66%	0.664	83%	0.829	S	S	*	*			trans	-72.8	107.3	-169.6	-135.9	115.9	55.3	0	0	112.5	N603	Q601-N603 PolarHBondContact O-N 3.47Å
602	G	21.6	Very low	22.2	Very low	71 Å²	71	162 Å²	162	73%	0.732	82%	0.821	S	S	*	*			trans	-70.7	116.1	166.5	0	0	0	0	0	112.3	Q600 I604	Q600-G602 PolarHBondContact O-N 3.49Å; G602-I604 PolarHBondContact O-N 3.4Å
603	N	23	Very low	22.2	Very low	153 Å²	153	159.7 Å²	159.7	82%	0.818	82%	0.82	S	S	*	*			trans	-68.3	114.4	177.4	-81.3	-38.5	0	0	0	112.3	Q601	Q601-N603 PolarHBondContact O-N 3.47Å
604	I	24.4	Very low	22.4	Very low	166 Å²	166	159.7 Å²	159.7	85%	0.851	82%	0.815	S	S	*	*			trans	-112.3	103	166.5	-62.4	175	0	0	0	108.6	G602	G602-I604 PolarHBondContact O-N 3.4Å
605	Q	22.2	Very low	22.4	Very low	156 Å²	156	160.3 Å²	160.3	73%	0.729	81%	0.81	S	S	*	*			trans	-77.2	119	174.1	-71.7	175.5	-6.2	0	0	110.2	Y607	Q605-Y607 PolarHBondContact O-N 2.6Å
606	A	22.9	Very low	22.6	Very low	102 Å²	102	158.1 Å²	158.1	84%	0.843	80%	0.803	S	S	*	*			trans	-76.3	115.1	179.2	0	0	0	0	0	111.6
607	Y	23.5	Very low	22.8	Very low	209 Å²	209	155.2 Å²	155.2	82%	0.82	80%	0.799	S	S	*	*			trans	-77.3	126.8	172.1	-79.2	-94.6	0	0	0	111	Q605	Q605-Y607 PolarHBondContact O-N 2.6Å
608	K	23.3	Very low	23.1	Very low	195 Å²	195	152.3 Å²	152.3	85%	0.848	79%	0.794	S	S	*	*			trans	-83.8	109.3	-179.8	-141.7	175.5	-173.1	176.9	0	108.6	L610	K608-L610 PolarHBondContact O-N 2.81Å
609	I	22.9	Very low	23.2	Very low	149 Å²	149	153 Å²	153	76%	0.764	79%	0.792	S	S	*	*			trans	-73.1	104.1	175.8	-62.8	169.3	0	0	0	108
610	L	24.1	Very low	23.4	Very low	142 Å²	142	150 Å²	150	74%	0.743	78%	0.782	S	S	*	*			trans	-78.4	120	169.1	-92.5	101.8	0	0	0	109.6	K608 T612	K608-L610 PolarHBondContact O-N 2.81Å; L610-T612 PolarHBondContact O-N 3.47Å
611	H	22.5	Very low	23.5	Very low	176 Å²	176	152.1 Å²	152.1	82%	0.815	78%	0.781	S	S	*	*			trans	-70.9	111.8	164.7	-68.4	-85.5	0	0	0	109.4
612	T	24.2	Very low	23.7	Very low	127 Å²	127	154.3 Å²	154.3	78%	0.779	79%	0.785	S	S	*	*			trans	-120.2	106.8	159.7	45.6	0	0	0	0	109.2	L610	L610-T612 PolarHBondContact O-N 3.47Å
613	T	21.5	Very low	23.9	Very low	135 Å²	135	160.2 Å²	160.2	83%	0.828	79%	0.793	S	S	*	*			trans	-64.9	142.8	167.8	42.4	0	0	0	0	111.7
614	N	23.8	Very low	24.2	Very low	130 Å²	130	161.8 Å²	161.8	70%	0.695	80%	0.795	S	S	*	*			trans	112.5	115.3	137.3	-133.1	6.5	0	0	0	118
615	R	22.5	Very low	24.5	Very low	202 Å²	202	163.5 Å²	163.5	76%	0.762	80%	0.797	S	S	*	*			trans	73.2	111	147.5	-79.4	165.9	-172.4	179.8	1.3	121
616	N	24.7	Very low	24.8	Very low	136 Å²	136	162.5 Å²	162.5	73%	0.727	80%	0.801	S	S	*	*			trans	84.3	103.8	134	-59.3	-2.6	0	0	0	118.8
617	T	24.5	Very low	25.3	Very low	130 Å²	130	162.1 Å²	162.1	80%	0.798	78%	0.784	S	S	*	*			trans	54.4	106.3	138.4	55.2	0	0	0	0	118.2
618	V	25.7	Very low	25.8	Very low	129 Å²	129	155.8 Å²	155.8	78%	0.782	77%	0.768	S	S	*	*				165.9	111	113.6	163.9	0	0	0	0	108.6
619	Q	24.5	Very low	27	Very low	179 Å²	179	153.1 Å²	153.1	84%	0.836	76%	0.761	S	S	*	*			trans	26.6	89.9	152.9	-59.7	178.6	0.3	0	0	119
620	N	24.6	Very low	28.2	Very low	126 Å²	126	149.7 Å²	149.7	67%	0.674	75%	0.751	S	S	*	*			trans	-88.9	115	157.5	-90.2	-18.9	0	0	0	110.3	Y622	N620-Y622 HydrophobicContact CB-CD2 3.92Å; N620-Y622 HydrophobicContact CB-CE2 3.45Å; N620-Y622 VanDerWaalsContact CB-CE2 3.45Å; N620-Y622 PolarHBondContact ND2-OH 3.34Å; N620-Y622 PolarHBondContact O-N 2.91Å
621	R	24.4	Very low	29.6	Very low	239 Å²	239	147.2 Å²	147.2	90%	0.902	74%	0.735	S	S	*	*			trans	-74.9	109.9	162.1	-66.4	-178.6	-162.5	153.4	4.9	107.9
622	Y	26.9	Very low	31	Very low	189 Å²	189	142.8 Å²	142.8	74%	0.741	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-93.1	126.8	172.9	-78.7	-83.7	0	0	0	110.5	N620	N620-Y622 HydrophobicContact CB-CD2 3.92Å; N620-Y622 HydrophobicContact CB-CE2 3.45Å; N620-Y622 VanDerWaalsContact CB-CE2 3.45Å; N620-Y622 PolarHBondContact ND2-OH 3.34Å; N620-Y622 PolarHBondContact O-N 2.91Å
623	H	26.5	Very low	32.4	Very low	194 Å²	194	141 Å²	141	90%	0.898	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-66.1	126.9	170.1	-85.3	-55.3	0	0	0	110.9	K625	H623-K625 PolarHBondContact O-N 3.28Å
624	H	27.8	Very low	34.2	Very low	186 Å²	186	138.1 Å²	138.1	86%	0.861	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-69.9	120.7	173.2	-79.7	-75.6	0	0	0	110.9
625	K	31.5	Very low	35.9	Very low	203 Å²	203	135.4 Å²	135.4	88%	0.883	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-87.3	117.8	169.3	-170.2	178.3	-177.9	-177.5	0	108.5	H623	H623-K625 PolarHBondContact O-N 3.28Å
626	T	28.2	Very low	37.7	Very low	135 Å²	135	130 Å²	130	83%	0.828	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-78	121.9	179.2	-46.8	0	0	0	0	110.1
627	L	32.7	Very low	39.6	Very low	93 Å²	93	124.7 Å²	124.7	49%	0.487	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-74.5	151.4	177.5	-72.8	160.9	0	0	0	111.2	E631 L632	L627-E631 HydrophobicContact CD2-CB 4.42Å; L627-L632 HydrophobicContact CB-CD1 3.61Å
628	T	35.1	Very low	41.5	Very low	76 Å²	76	120.4 Å²	120.4	47%	0.466	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-73.7	156.3	175.7	60	0	0	0	0	111.8	S630 E631 L632	T628-S630 VanDerWaalsContact C-N 3.3Å; T628-S630 PolarHBondContact O-N 3.42Å; T628-E631 PolarHBondContact N-OE2 3.25Å; T628-E631 PolarHBondContact O-N 3.3Å; T628-E631 VanDerWaalsContact O-N 3.16Å; T628-E631 VanDerWaalsContact OG1-CG 3.25Å; T628-E631 WeakPolarHBondContact OG1-CG 3.48Å; T628-E631 PolarHBondContact OG1-OE2 3.39Å; T628-L632 PolarHBondContact O-N 2.64Å
629	I	49.3	Very low	43.4	Very low	140 Å²	140	120.6 Å²	120.6	72%	0.718	59%	0.589	S	S	*	*	H	α-helix	trans	-60.3	-37	-173.9	-63.4	173.4	0	0	0	112.2	L632 N633	I629-L632 PolarHBondContact O-N 3.43Å; I629-N633 PolarHBondContact O-N 2.8Å
630	S	47.7	Very low	45.5	Very low	77 Å²	77	115.6 Å²	115.6	54%	0.538	57%	0.568	S	S	.	*	H	α-helix	trans	-69	-39	176.6	54.2	0	0	0	0	112.7	T628 N633 N634	T628-S630 VanDerWaalsContact C-N 3.3Å; T628-S630 PolarHBondContact O-N 3.42Å; S630-N633 PolarHBondContact O-N 2.95Å; S630-N634 PolarHBondContact O-N 3.07Å
631	E	53.3	Low	48	Very low	90 Å²	90	110 Å²	110	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-68.6	-34.1	173.4	-68.8	171.4	144.1	0	0	112.1	L627 T628 N635	L627-E631 HydrophobicContact CD2-CB 4.42Å; T628-E631 PolarHBondContact N-OE2 3.25Å; T628-E631 PolarHBondContact O-N 3.3Å; T628-E631 VanDerWaalsContact O-N 3.16Å; T628-E631 VanDerWaalsContact OG1-CG 3.25Å; T628-E631 WeakPolarHBondContact OG1-CG 3.48Å; T628-E631 PolarHBondContact OG1-OE2 3.39Å; E631-N635 WeakPolarHBondContact O-CB 3.25Å; E631-N635 PolarHBondContact O-N 2.83Å; E631-N635 PolarHBondContact O-ND2 3.48Å
632	L	51.5	Low	50.6	Low	83 Å²	83	99 Å²	99	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-48.9	172.1	-112.1	102.3	0	0	0	110.7	L627 T628 I629 N634 N635 L636	L627-L632 HydrophobicContact CB-CD1 3.61Å; T628-L632 PolarHBondContact O-N 2.64Å; I629-L632 PolarHBondContact O-N 3.43Å; L632-N634 PolarHBondContact O-N 3.26Å; L632-N635 PolarHBondContact O-N 2.73Å; L632-L636 WeakPolarHBondContact O-CB 3.19Å; L632-L636 WeakPolarHBondContact O-CD1 3.12Å; L632-L636 WeakPolarHBondContact O-CG 3.43Å; L632-L636 PolarHBondContact O-N 3.31Å
633	N	54.2	Low	53.1	Low	90 Å²	90	97.1 Å²	97.1	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-44.3	179.8	-82.4	-9.5	0	0	0	112.1	I629 S630 N635 L636 I637	I629-N633 PolarHBondContact O-N 2.8Å; S630-N633 PolarHBondContact O-N 2.95Å; N633-N635 PolarHBondContact O-N 2.96Å; N633-L636 PolarHBondContact O-N 3.06Å; N633-I637 VanDerWaalsContact O-CG1 3.31Å; N633-I637 WeakPolarHBondContact O-CG1 3.44Å; N633-I637 PolarHBondContact O-N 3.15Å
634	N	57.9	Low	55.8	Low	73 Å²	73	90.6 Å²	90.6	39%	0.39	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-40.7	176.5	-74.5	-21.3	0	0	0	112.1	S630 L632 I637 L638 I650	S630-N634 PolarHBondContact O-N 3.07Å; L632-N634 PolarHBondContact O-N 3.26Å; N634-I637 PolarHBondContact O-N 3.19Å; N634-L638 WeakPolarHBondContact O-CB 3.34Å; N634-L638 VanDerWaalsContact O-CG 3.24Å; N634-L638 WeakPolarHBondContact O-CG 3.35Å; N634-L638 PolarHBondContact O-N 3.49Å; N634-L638 VanDerWaalsContact O-N 3.08Å; N634-I650 HydrophobicContact CB-CD1 4.29Å
635	N	60.6	Low	58.6	Low	73 Å²	73	82.2 Å²	82.2	39%	0.39	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-38.3	175.4	-80.7	-50.9	0	0	0	112.3	E631 L632 N633 L638 Q639	E631-N635 WeakPolarHBondContact O-CB 3.25Å; E631-N635 PolarHBondContact O-N 2.83Å; E631-N635 PolarHBondContact O-ND2 3.48Å; L632-N635 PolarHBondContact O-N 2.73Å; N633-N635 PolarHBondContact O-N 2.96Å; N635-L638 PolarHBondContact O-N 3.18Å; N635-Q639 VanDerWaalsContact O-CG 3.3Å; N635-Q639 WeakPolarHBondContact O-CG 3.4Å; N635-Q639 PolarHBondContact O-N 2.93Å
636	L	60.3	Low	60.9	Low	90 Å²	90	76.6 Å²	76.6	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-61.5	-45.8	175.4	-85.7	151.3	0	0	0	111.6	L632 N633 L638 Q639 N640	L632-L636 WeakPolarHBondContact O-CB 3.19Å; L632-L636 WeakPolarHBondContact O-CD1 3.12Å; L632-L636 WeakPolarHBondContact O-CG 3.43Å; L632-L636 PolarHBondContact O-N 3.31Å; N633-L636 PolarHBondContact O-N 3.06Å; L636-L638 VanDerWaalsContact C-N 3.33Å; L636-L638 PolarHBondContact O-N 3.12Å; L636-Q639 PolarHBondContact O-N 3.03Å; L636-N640 PolarHBondContact O-N 3.38Å
637	I	64	Low	63.3	Low	24 Å²	24	77.8 Å²	77.8	12%	0.123	40%	0.401	C	S	.	.	H	α-helix	trans	-63.3	-41.3	177.4	-63.9	162.9	0	0	0	110.7	E553 L556 N633 N634 Q639 N640 I650	E553-I637 HydrophobicContact CG-CD1 4.24Å; E553-I637 HydrophobicContact CG-CG2 4.22Å; E553-I637 WeakPolarHBondContact OE1-CD1 3.36Å; L556-I637 HydrophobicContact CB-CG2 4.46Å; L556-I637 HydrophobicContact CD1-CG2 4.4Å; N633-I637 VanDerWaalsContact O-CG1 3.31Å; N633-I637 WeakPolarHBondContact O-CG1 3.44Å; N633-I637 PolarHBondContact O-N 3.15Å; N634-I637 PolarHBondContact O-N 3.19Å; I637-Q639 VanDerWaalsContact C-N 3.32Å; I637-Q639 PolarHBondContact O-N 3.27Å; I637-N640 PolarHBondContact O-N 3.05Å; I637-I650 HydrophobicContact CB-CD1 4.16Å; I637-I650 HydrophobicContact CD1-CD1 4.48Å; I637-I650 HydrophobicContact CG2-CD1 4.03Å
638	L	63.9	Low	65.5	Low	40 Å²	40	75.2 Å²	75.2	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-69.6	-26.3	177.9	-68.5	170.7	0	0	0	113.1	N634 N635 L636 N640 L641 I650 V655	N634-L638 WeakPolarHBondContact O-CB 3.34Å; N634-L638 VanDerWaalsContact O-CG 3.24Å; N634-L638 WeakPolarHBondContact O-CG 3.35Å; N634-L638 PolarHBondContact O-N 3.49Å; N634-L638 VanDerWaalsContact O-N 3.08Å; N635-L638 PolarHBondContact O-N 3.18Å; L636-L638 VanDerWaalsContact C-N 3.33Å; L636-L638 PolarHBondContact O-N 3.12Å; L638-N640 VanDerWaalsContact C-N 3.31Å; L638-L641 WeakPolarHBondContact O-CB 3.19Å; L638-L641 PolarHBondContact O-N 3.46Å; L638-I650 HydrophobicContact CD1-CG1 4.48Å; L638-I650 HydrophobicContact CD2-CD1 4.36Å; L638-I650 HydrophobicContact CD2-CG1 3.99Å; L638-I650 HydrophobicContact CG-CD1 4.15Å; L638-I650 HydrophobicContact CG-CG1 4.2Å; L638-V655 HydrophobicContact CD2-CG1 4.07Å
639	Q	65.5	Low	67.8	Low	133 Å²	133	74.9 Å²	74.9	62%	0.621	38%	0.383	S	S	*	.	H	α-helix	trans	-71.4	-24.2	173.6	-77.2	177.8	15.4	0	0	113.1	K561 N635 L636 I637 L641	K561-Q639 PolarHBondContact NZ-O 3.02Å; N635-Q639 VanDerWaalsContact O-CG 3.3Å; N635-Q639 WeakPolarHBondContact O-CG 3.4Å; N635-Q639 PolarHBondContact O-N 2.93Å; L636-Q639 PolarHBondContact O-N 3.03Å; I637-Q639 VanDerWaalsContact C-N 3.32Å; I637-Q639 PolarHBondContact O-N 3.27Å; Q639-L641 VanDerWaalsContact C-N 3.25Å; Q639-L641 PolarHBondContact O-N 3.3Å
640	N	70.5	Confident	69.3	Low	74 Å²	74	69.9 Å²	69.9	40%	0.396	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.3	174.3	-77.2	-5.1	0	0	0	113.2	K561 L636 I637 L638	K561-N640 WeakPolarHBondContact CE-O 3.36Å; L636-N640 PolarHBondContact O-N 3.38Å; I637-N640 PolarHBondContact O-N 3.05Å; L638-N640 VanDerWaalsContact C-N 3.31Å
641	L	76.3	Confident	70.7	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.042	35%	0.349	C	S	.	.	S	Bend	trans	-67.3	141.5	175.6	-122	77.9	0	0	0	111	L556 K561 L638 Q639 F645 V655 C657	L556-L641 HydrophobicContact CD1-CD1 3.42Å; L556-L641 VanDerWaalsContact CD1-CD1 3.42Å; L556-L641 HydrophobicContact CD2-CD1 3.62Å; L556-L641 HydrophobicContact CG-CD1 4.17Å; K561-L641 VanDerWaalsContact CE-O 3.25Å; K561-L641 WeakPolarHBondContact CE-O 3.47Å; K561-L641 PolarHBondContact NZ-O 3.2Å; L638-L641 WeakPolarHBondContact O-CB 3.19Å; L638-L641 PolarHBondContact O-N 3.46Å; Q639-L641 VanDerWaalsContact C-N 3.25Å; Q639-L641 PolarHBondContact O-N 3.3Å; L641-F645 HydrophobicContact CD2-CB 3.44Å; L641-F645 VanDerWaalsContact CD2-CB 3.44Å; L641-F645 HydrophobicContact CD2-CD2 4.44Å; L641-F645 HydrophobicContact CD2-CG 4.05Å; L641-F645 HydrophobicContact CG-CB 4.17Å; L641-F645 HydrophobicContact CG-CD2 4.37Å; L641-F645 HydrophobicContact CG-CG 4.46Å; L641-V655 HydrophobicContact CD1-CG1 4.17Å; L641-V655 HydrophobicContact CD2-CG1 4.41Å; L641-C657 HydrophobicContact CD2-CB 4.17Å
642	P	79.1	Confident	71.9	Confident	9 Å²	9	73.3 Å²	73.3	6%	0.058	37%	0.368	C	S	.	.			trans	-61.5	145.1	168.8	-24.1	33.3	0	0	0	112.5	Y533 Y559 E644 F645	Y533-P642 HydrophobicContact CD1-CB 3.97Å; Y533-P642 HydrophobicContact CD1-CG 3.52Å; Y533-P642 HydrophobicContact CE1-CB 3.45Å; Y533-P642 VanDerWaalsContact CE1-CB 3.45Å; Y533-P642 HydrophobicContact CE1-CG 3.57Å; Y533-P642 HydrophobicContact CE2-CB 4.42Å; Y533-P642 HydrophobicContact CG-CG 4.07Å; Y559-P642 HydrophobicContact CE1-CG 4.11Å; P642-E644 PolarHBondContact O-N 2.85Å; P642-F645 HydrophobicContact CB-CD2 3.82Å; P642-F645 HydrophobicContact CB-CE2 4.03Å; P642-F645 HydrophobicContact CG-CD2 3.92Å; P642-F645 HydrophobicContact CG-CE2 3.81Å; P642-F645 PolarHBondContact O-N 2.81Å
643	D	78.6	Confident	73.4	Confident	148 Å²	148	75.2 Å²	75.2	79%	0.791	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.9	-174.3	-58.7	-18.8	0	0	0	114.1	F645	D643-F645 PolarHBondContact O-N 2.78Å
644	E	84.1	Confident	74.9	Confident	57 Å²	57	72.9 Å²	72.9	27%	0.266	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.3	175.4	-166.3	170.8	175.6	0	0	112	R528 L529 Q532 Y533 P642 T659	R528-E644 IonicContact NH2-OE1 2.65Å; R528-E644 PolarHBondContact NH2-OE1 3.43Å; L529-E644 HydrophobicContact CD2-CG 4.48Å; Q532-E644 PolarHBondContact NE2-OE2 3.3Å; Y533-E644 PolarHBondContact OH-OE2 3.19Å; P642-E644 PolarHBondContact O-N 2.85Å; E644-T659 HydrophobicContact CG-CG2 4.31Å; E644-T659 WeakPolarHBondContact O-CG2 3.38Å
645	F	85.4	Confident	76.2	Confident	11 Å²	11	69.4 Å²	69.4	5%	0.048	35%	0.349	C	S	.	.			trans	-85.9	115.1	176.2	-63	-78.6	0	0	0	111	Y533 L537 I549 I551 L641 P642 D643 C657 T659	Y533-F645 AromaticContact CD2-CE2 3.69Å; Y533-F645 HydrophobicContact CD2-CE2 3.69Å; Y533-F645 AromaticContact CD2-CZ 3.89Å; Y533-F645 HydrophobicContact CD2-CZ 3.89Å; Y533-F645 AromaticContact CE2-CE2 3.88Å; Y533-F645 HydrophobicContact CE2-CE2 3.88Å; Y533-F645 HydrophobicContact CE2-CZ 4.27Å; Y533-F645 HydrophobicContact CG-CE2 4.2Å; L537-F645 HydrophobicContact CD1-CE1 4.1Å; L537-F645 HydrophobicContact CD1-CZ 3.98Å; L537-F645 HydrophobicContact CD2-CE1 4.42Å; L537-F645 HydrophobicContact CD2-CZ 4.28Å; I549-F645 HydrophobicContact CD1-CD1 4.4Å; I549-F645 HydrophobicContact CD1-CE1 4.01Å; I549-F645 HydrophobicContact CG2-CE1 4.49Å; I551-F645 HydrophobicContact CD1-CE1 4.34Å; L641-F645 HydrophobicContact CD2-CB 3.44Å; L641-F645 VanDerWaalsContact CD2-CB 3.44Å; L641-F645 HydrophobicContact CD2-CD2 4.44Å; L641-F645 HydrophobicContact CD2-CG 4.05Å; L641-F645 HydrophobicContact CG-CB 4.17Å; L641-F645 HydrophobicContact CG-CD2 4.37Å; L641-F645 HydrophobicContact CG-CG 4.46Å; P642-F645 HydrophobicContact CB-CD2 3.82Å; P642-F645 HydrophobicContact CB-CE2 4.03Å; P642-F645 HydrophobicContact CG-CD2 3.92Å; P642-F645 HydrophobicContact CG-CE2 3.81Å; P642-F645 PolarHBondContact O-N 2.81Å; D643-F645 PolarHBondContact O-N 2.78Å; F645-C657 HydrophobicContact CB-CB 4.15Å; F645-C657 HydrophobicContact CD1-CB 4.37Å; F645-C657 WeakPolarHBondContact CD1-SG 3.46Å; F645-T659 HydrophobicContact CD1-CG2 4.12Å; F645-T659 HydrophobicContact CE1-CG2 4.45Å
646	K	81.4	Confident	77.6	Confident	84 Å²	84	66.8 Å²	66.8	37%	0.365	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	162.1	-176.4	-58.9	-174.6	-178.9	-173.6	0	111.6	S648 T658 D660	K646-S648 PolarHBondContact O-N 3.39Å; K646-T658 CarbonylContact C-O 3.51Å; K646-T658 WeakPolarHBondContact CA-O 3.49Å; K646-T658 WeakPolarHBondContact CB-O 3.43Å; K646-T658 PolarHBondContact N-O 3.05Å; K646-T658 PolarHBondContact O-N 3.35Å; K646-D660 WeakPolarHBondContact CD-OD1 3.45Å; K646-D660 WeakPolarHBondContact CE-OD1 3.36Å; K646-D660 WeakPolarHBondContact CE-OD2 3.15Å; K646-D660 IonicContact NZ-OD1 3.48Å; K646-D660 PolarHBondContact NZ-OD1 3.34Å; K646-D660 IonicContact NZ-OD2 2.96Å; K646-D660 PolarHBondContact NZ-OD2 3Å
647	K	77.6	Confident	79	Confident	161 Å²	161	62.7 Å²	62.7	70%	0.7	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.5	43.7	177.9	-53.9	-179.5	179.4	175.8	0	112.2	T658	K647-T658 HydrophobicContact CB-CG2 4.1Å; K647-T658 HydrophobicContact CD-CG2 4.09Å; K647-T658 HydrophobicContact CG-CG2 4.29Å
648	S	80.2	Confident	80.3	Confident	39 Å²	39	62.2 Å²	62.2	27%	0.273	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	138.2	-179.4	49.7	0	0	0	0	111.6	K646 H656	K646-S648 PolarHBondContact O-N 3.39Å; S648-H656 CarbonylContact C-O 3.49Å; S648-H656 WeakPolarHBondContact CA-O 3.41Å
649	F	83	Confident	81.6	Confident	68 Å²	68	60.3 Å²	60.3	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.7	167.9	73.3	-71.7	0	0	0	108.9	R545 H656	R545-F649 VanDerWaalsContact NH2-CZ 3.32Å; F649-H656 HydrophobicContact CD1-CB 3.91Å; F649-H656 HydrophobicContact CE1-CB 3.19Å; F649-H656 AromaticContact CE1-CD2 3.86Å; F649-H656 AromaticContact CE1-CG 3.8Å; F649-H656 HydrophobicContact CE2-CB 4.4Å; F649-H656 AromaticContact CE2-CD2 3.47Å; F649-H656 VanDerWaalsContact CE2-CD2 3.47Å; F649-H656 WeakPolarHBondContact CE2-CD2 3.46Å; F649-H656 HydrophobicContact CZ-CB 3.5Å; F649-H656 AromaticContact CZ-CD2 3.19Å; F649-H656 WeakPolarHBondContact CZ-CD2 3.43Å; F649-H656 AromaticContact CZ-CG 3.53Å; F649-H656 PolarHBondContact N-O 3.05Å; F649-H656 PolarHBondContact O-N 3.26Å
650	I	80.2	Confident	82.8	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.185	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.3	-176.9	-50.1	-175.4	0	0	0	108.8	N634 I637 L638 V655	N634-I650 HydrophobicContact CB-CD1 4.29Å; I637-I650 HydrophobicContact CB-CD1 4.16Å; I637-I650 HydrophobicContact CD1-CD1 4.48Å; I637-I650 HydrophobicContact CG2-CD1 4.03Å; L638-I650 HydrophobicContact CD1-CG1 4.48Å; L638-I650 HydrophobicContact CD2-CD1 4.36Å; L638-I650 HydrophobicContact CD2-CG1 3.99Å; L638-I650 HydrophobicContact CG-CD1 4.15Å; L638-I650 HydrophobicContact CG-CG1 4.2Å; I650-V655 HydrophobicContact CD1-CG2 4.38Å; I650-V655 HydrophobicContact CG1-CG2 4.03Å
651	S	78	Confident	83.7	Confident	53 Å²	53	55.3 Å²	55.3	37%	0.371	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	130.6	172.1	175.7	0	0	0	0	109.2	N653 V654	S651-N653 PolarHBondContact O-N 2.99Å; S651-V654 PolarHBondContact N-O 3.17Å; S651-V654 PolarHBondContact O-N 2.94Å; S651-V654 VanDerWaalsContact O-O 3.1Å
652	K	78.6	Confident	84.4	Confident	186 Å²	186	55 Å²	55	81%	0.809	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	53.8	179	-61.3	-170.7	174.9	-166	0	113.1	V654	K652-V654 PolarHBondContact O-N 3.09Å
653	N	81.2	Confident	85	Confident	122 Å²	122	57.8 Å²	57.8	65%	0.652	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	17.9	-179	-57.2	-8	0	0	0	115.7	E553 S651	E553-N653 WeakPolarHBondContact CB-O 3.48Å; E553-N653 PolarHBondContact N-O 3.28Å; S651-N653 PolarHBondContact O-N 2.99Å
654	V	85.7	Confident	85.7	Confident	41 Å²	41	58.4 Å²	58.4	25%	0.248	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.3	175.1	-178.3	0	0	0	0	109.2	Q550 S651 K652	Q550-V654 HydrophobicContact CB-CG1 3.75Å; Q550-V654 HydrophobicContact CG-CG1 3.84Å; S651-V654 PolarHBondContact N-O 3.17Å; S651-V654 PolarHBondContact O-N 2.94Å; S651-V654 VanDerWaalsContact O-O 3.1Å; K652-V654 PolarHBondContact O-N 3.09Å
655	V	86.9	Confident	86.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.3	173.1	-174.2	0	0	0	0	108.9	Q550 I551 L556 L638 L641 I650	Q550-V655 CarbonylContact C-O 3.54Å; Q550-V655 WeakPolarHBondContact CA-O 3.24Å; I551-V655 HydrophobicContact CB-CB 4.34Å; I551-V655 PolarHBondContact N-O 3.06Å; I551-V655 PolarHBondContact O-N 2.88Å; L556-V655 HydrophobicContact CD1-CB 3.91Å; L556-V655 HydrophobicContact CD1-CG1 4.32Å; L556-V655 HydrophobicContact CD1-CG2 3.4Å; L638-V655 HydrophobicContact CD2-CG1 4.07Å; L641-V655 HydrophobicContact CD1-CG1 4.17Å; L641-V655 HydrophobicContact CD2-CG1 4.41Å; I650-V655 HydrophobicContact CD1-CG2 4.38Å; I650-V655 HydrophobicContact CG1-CG2 4.03Å
656	H	89.1	Confident	86.4	Confident	19 Å²	19	57.1 Å²	57.1	9%	0.088	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.4	178.7	-59.9	-65.8	0	0	0	109.3	Y548 I549 Q550 S648 F649	Y548-H656 HydrophobicContact CD2-CB 4.38Å; Y548-H656 HydrophobicContact CE2-CB 4.47Å; Y548-H656 AromaticContact CE2-ND1 3.43Å; Y548-H656 WeakPolarHBondContact CE2-ND1 3.27Å; I549-H656 WeakPolarHBondContact O-CA 3.41Å; Q550-H656 WeakPolarHBondContact CG-ND1 3.36Å; Q550-H656 PolarHBondContact NE2-CE1 3.36Å; S648-H656 CarbonylContact C-O 3.49Å; S648-H656 WeakPolarHBondContact CA-O 3.41Å; F649-H656 HydrophobicContact CD1-CB 3.91Å; F649-H656 HydrophobicContact CE1-CB 3.19Å; F649-H656 AromaticContact CE1-CD2 3.86Å; F649-H656 AromaticContact CE1-CG 3.8Å; F649-H656 HydrophobicContact CE2-CB 4.4Å; F649-H656 AromaticContact CE2-CD2 3.47Å; F649-H656 VanDerWaalsContact CE2-CD2 3.47Å; F649-H656 WeakPolarHBondContact CE2-CD2 3.46Å; F649-H656 HydrophobicContact CZ-CB 3.5Å; F649-H656 AromaticContact CZ-CD2 3.19Å; F649-H656 WeakPolarHBondContact CZ-CD2 3.43Å; F649-H656 AromaticContact CZ-CG 3.53Å; F649-H656 PolarHBondContact N-O 3.05Å; F649-H656 PolarHBondContact O-N 3.26Å
657	C	89	Confident	86.9	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	171	-179.2	58.7	0	0	0	0	111.7	I549 L641 F645	I549-C657 PolarHBondContact N-O 3.14Å; I549-C657 PolarHBondContact O-N 3.22Å; L641-C657 HydrophobicContact CD2-CB 4.17Å; F645-C657 HydrophobicContact CB-CB 4.15Å; F645-C657 HydrophobicContact CD1-CB 4.37Å; F645-C657 WeakPolarHBondContact CD1-SG 3.46Å
658	T	91.9	Very high	87.6	Confident	14 Å²	14	54.3 Å²	54.3	9%	0.086	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.5	175.2	-173.7	0	0	0	0	110	K646 K647 I663	K646-T658 CarbonylContact C-O 3.51Å; K646-T658 WeakPolarHBondContact CA-O 3.49Å; K646-T658 WeakPolarHBondContact CB-O 3.43Å; K646-T658 PolarHBondContact N-O 3.05Å; K646-T658 PolarHBondContact O-N 3.35Å; K647-T658 HydrophobicContact CB-CG2 4.1Å; K647-T658 HydrophobicContact CD-CG2 4.09Å; K647-T658 HydrophobicContact CG-CG2 4.29Å; T658-I663 HydrophobicContact CG2-CD1 3.92Å; T658-I663 HydrophobicContact CG2-CG1 4.12Å
659	T	91	Very high	88.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.			trans	-107.6	164.2	171.9	66.1	0	0	0	0	110.7	L529 I549 E644 F645 S661 L662 I663	L529-T659 HydrophobicContact CD1-CG2 3.6Å; L529-T659 HydrophobicContact CD2-CG2 4.42Å; I549-T659 HydrophobicContact CD1-CG2 4.22Å; E644-T659 HydrophobicContact CG-CG2 4.31Å; E644-T659 WeakPolarHBondContact O-CG2 3.38Å; F645-T659 HydrophobicContact CD1-CG2 4.12Å; F645-T659 HydrophobicContact CE1-CG2 4.45Å; T659-S661 VanDerWaalsContact C-N 3.25Å; T659-S661 PolarHBondContact O-N 3.31Å; T659-L662 PolarHBondContact O-N 3.08Å; T659-L662 WeakPolarHBondContact OG1-CB 3.45Å; T659-L662 PolarHBondContact OG1-N 2.99Å; T659-I663 WeakPolarHBondContact O-CG1 3.46Å; T659-I663 PolarHBondContact O-N 3.25Å
660	D	90.7	Very high	88.5	Confident	74 Å²	74	55.3 Å²	55.3	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-38.7	172.8	-72.8	-23.4	0	0	0	111.4	K646 L662 I663 R664	K646-D660 WeakPolarHBondContact CD-OD1 3.45Å; K646-D660 WeakPolarHBondContact CE-OD1 3.36Å; K646-D660 WeakPolarHBondContact CE-OD2 3.15Å; K646-D660 IonicContact NZ-OD1 3.48Å; K646-D660 PolarHBondContact NZ-OD1 3.34Å; K646-D660 IonicContact NZ-OD2 2.96Å; K646-D660 PolarHBondContact NZ-OD2 3Å; D660-L662 VanDerWaalsContact C-N 3.35Å; D660-I663 PolarHBondContact O-N 3.34Å; D660-R664 WeakPolarHBondContact O-CG 3.47Å; D660-R664 PolarHBondContact O-N 2.84Å
661	S	90.4	Very high	89	Confident	29 Å²	29	55.2 Å²	55.2	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-47.2	174.6	-61.7	0	0	0	0	111	E525 T659 I663 R664 L665	E525-S661 WeakPolarHBondContact OE1-CB 3.13Å; E525-S661 PolarHBondContact OE1-OG 3.38Å; T659-S661 VanDerWaalsContact C-N 3.25Å; T659-S661 PolarHBondContact O-N 3.31Å; S661-I663 PolarHBondContact O-N 3.38Å; S661-R664 PolarHBondContact O-N 3.13Å; S661-R664 PolarHBondContact OG-NH2 3.35Å; S661-L665 WeakPolarHBondContact O-CG 3.42Å; S661-L665 PolarHBondContact O-N 3.35Å
662	L	91.2	Very high	89.7	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-36	178.1	-168.3	63.3	0	0	0	112.7	I522 V526 F547 I549 T659 D660 L665 N666	I522-L662 HydrophobicContact CG1-CD1 4.44Å; I522-L662 HydrophobicContact CG2-CD1 3.86Å; V526-L662 HydrophobicContact CG2-CD1 4.46Å; F547-L662 HydrophobicContact CB-CD1 4.35Å; F547-L662 WeakPolarHBondContact O-CD2 3.47Å; I549-L662 HydrophobicContact CD1-CD2 4.11Å; I549-L662 HydrophobicContact CG1-CD2 3.84Å; T659-L662 PolarHBondContact O-N 3.08Å; T659-L662 WeakPolarHBondContact OG1-CB 3.45Å; T659-L662 PolarHBondContact OG1-N 2.99Å; D660-L662 VanDerWaalsContact C-N 3.35Å; L662-L665 PolarHBondContact O-N 3.31Å; L662-N666 VanDerWaalsContact O-CB 3.3Å; L662-N666 WeakPolarHBondContact O-CB 3.27Å; L662-N666 PolarHBondContact O-N 3.45Å; L662-N666 PolarHBondContact O-ND2 2.71Å
663	I	90.8	Very high	90.3	Very high	68 Å²	68	45 Å²	45	35%	0.349	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-43	173.9	-68.9	166.1	0	0	0	110.8	T658 T659 D660 S661 N666 G667	T658-I663 HydrophobicContact CG2-CD1 3.92Å; T658-I663 HydrophobicContact CG2-CG1 4.12Å; T659-I663 WeakPolarHBondContact O-CG1 3.46Å; T659-I663 PolarHBondContact O-N 3.25Å; D660-I663 PolarHBondContact O-N 3.34Å; S661-I663 PolarHBondContact O-N 3.38Å; I663-N666 WeakPolarHBondContact O-CB 3.25Å; I663-N666 PolarHBondContact O-N 3.18Å; I663-G667 PolarHBondContact O-N 2.85Å
664	R	92.6	Very high	90.8	Very high	161 Å²	161	42.3 Å²	42.3	61%	0.608	22%	0.218	S	C	*	.	H	α-helix	trans	-65	-44.8	176.9	-71.4	-178.4	-67.4	-135.5	0.1	111.7	D660 S661 N666 G667 R668	D660-R664 WeakPolarHBondContact O-CG 3.47Å; D660-R664 PolarHBondContact O-N 2.84Å; S661-R664 PolarHBondContact O-N 3.13Å; S661-R664 PolarHBondContact OG-NH2 3.35Å; R664-N666 VanDerWaalsContact C-N 3.34Å; R664-N666 PolarHBondContact O-N 3.45Å; R664-G667 PolarHBondContact O-N 2.99Å; R664-R668 PolarHBondContact O-N 3.17Å; R664-R668 VanDerWaalsContact O-N 3.09Å
665	L	92.8	Very high	91	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.115	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-40.7	176.2	-69.9	172.1	0	0	0	111.8	D521 I522 E525 S661 L662 G667 R668 I669	D521-L665 HydrophobicContact CB-CD2 3.86Å; I522-L665 HydrophobicContact CD1-CB 4.31Å; I522-L665 HydrophobicContact CG1-CB 3.67Å; I522-L665 HydrophobicContact CG1-CD1 4.15Å; I522-L665 HydrophobicContact CG1-CG 4.42Å; E525-L665 HydrophobicContact CB-CD1 3.8Å; E525-L665 HydrophobicContact CG-CD1 4.04Å; S661-L665 WeakPolarHBondContact O-CG 3.42Å; S661-L665 PolarHBondContact O-N 3.35Å; L662-L665 PolarHBondContact O-N 3.31Å; L665-G667 VanDerWaalsContact C-N 3.32Å; L665-G667 PolarHBondContact O-N 2.83Å; L665-R668 PolarHBondContact O-N 3.38Å; L665-I669 WeakPolarHBondContact O-CG2 3.31Å; L665-I669 PolarHBondContact O-N 3.11Å
666	N	92.5	Very high	91.3	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-39.6	172.6	-86.3	-46.2	0	0	0	113.1	F547 L662 I663 R664 I669 K670	F547-N666 WeakPolarHBondContact CB-OD1 3.38Å; F547-N666 WeakPolarHBondContact CD2-OD1 3.47Å; F547-N666 PolarHBondContact N-OD1 3.18Å; F547-N666 PolarHBondContact O-ND2 2.9Å; L662-N666 VanDerWaalsContact O-CB 3.3Å; L662-N666 WeakPolarHBondContact O-CB 3.27Å; L662-N666 PolarHBondContact O-N 3.45Å; L662-N666 PolarHBondContact O-ND2 2.71Å; I663-N666 WeakPolarHBondContact O-CB 3.25Å; I663-N666 PolarHBondContact O-N 3.18Å; R664-N666 VanDerWaalsContact C-N 3.34Å; R664-N666 PolarHBondContact O-N 3.45Å; N666-I669 WeakPolarHBondContact O-CG2 3.44Å; N666-K670 WeakPolarHBondContact O-CB 3.39Å; N666-K670 PolarHBondContact O-N 3.11Å; N666-K670 VanDerWaalsContact O-N 3.14Å
667	G	91.1	Very high	91.5	Very high	48 Å²	48	44.5 Å²	44.5	50%	0.495	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-44.4	174.7	0	0	0	0	0	112.1	I663 R664 L665 G671	I663-G667 PolarHBondContact O-N 2.85Å; R664-G667 PolarHBondContact O-N 2.99Å; L665-G667 VanDerWaalsContact C-N 3.32Å; L665-G667 PolarHBondContact O-N 2.83Å; G667-G671 PolarHBondContact O-N 3.37Å
668	R	92.2	Very high	91.6	Very high	139 Å²	139	48 Å²	48	53%	0.525	24%	0.242	S	C	.	.	H	α-helix	trans	-65.5	-52	179	-69	175.8	67.3	-166.8	-3.9	112.1	Q518 R664 L665 K670 G671 S672	Q518-R668 PolarHBondContact OE1-O 3.27Å; R664-R668 PolarHBondContact O-N 3.17Å; R664-R668 VanDerWaalsContact O-N 3.09Å; L665-R668 PolarHBondContact O-N 3.38Å; R668-K670 VanDerWaalsContact C-N 3.25Å; R668-K670 PolarHBondContact O-N 3.39Å; R668-G671 WeakPolarHBondContact O-CA 2.92Å; R668-G671 PolarHBondContact O-N 3.48Å; R668-S672 PolarHBondContact O-N 2.97Å; R668-S672 PolarHBondContact O-OG 3.08Å
669	I	92.5	Very high	91.5	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.041	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-35.2	-178.6	-163	166.6	0	0	0	112.2	Y515 Q518 L519 I522 F547 L665 N666 S672 L673	Y515-I669 HydrophobicContact CD2-CD1 4.22Å; Y515-I669 HydrophobicContact CD2-CG1 3.63Å; Y515-I669 HydrophobicContact CE2-CD1 3.82Å; Y515-I669 HydrophobicContact CE2-CG1 3.54Å; Q518-I669 HydrophobicContact CB-CB 4.23Å; Q518-I669 HydrophobicContact CB-CD1 4.48Å; Q518-I669 HydrophobicContact CB-CG1 4.24Å; Q518-I669 VanDerWaalsContact OE1-N 3.14Å; L519-I669 HydrophobicContact CB-CD1 4.05Å; L519-I669 HydrophobicContact CD1-CD1 4.15Å; I522-I669 HydrophobicContact CD1-CB 4.11Å; I522-I669 HydrophobicContact CD1-CD1 3.7Å; I522-I669 HydrophobicContact CD1-CG2 3.84Å; F547-I669 HydrophobicContact CD2-CG2 4.4Å; F547-I669 HydrophobicContact CE2-CD1 3.9Å; F547-I669 HydrophobicContact CE2-CG2 4.37Å; L665-I669 WeakPolarHBondContact O-CG2 3.31Å; L665-I669 PolarHBondContact O-N 3.11Å; N666-I669 WeakPolarHBondContact O-CG2 3.44Å; I669-S672 PolarHBondContact O-N 3.15Å; I669-L673 VanDerWaalsContact O-CB 3.27Å; I669-L673 WeakPolarHBondContact O-CB 3.39Å; I669-L673 PolarHBondContact O-N 3.5Å
670	K	90.6	Very high	91.6	Very high	120 Å²	120	48.9 Å²	48.9	52%	0.522	25%	0.246	S	C	.	.	H	α-helix	trans	-65	-40.7	174.4	-176.5	176.8	179.8	-177.4	0	111.7	N666 R668 F674	N666-K670 WeakPolarHBondContact O-CB 3.39Å; N666-K670 PolarHBondContact O-N 3.11Å; N666-K670 VanDerWaalsContact O-N 3.14Å; R668-K670 VanDerWaalsContact C-N 3.25Å; R668-K670 PolarHBondContact O-N 3.39Å; K670-F674 HydrophobicContact CD-CE2 4.22Å; K670-F674 HydrophobicContact CD-CZ 4.12Å; K670-F674 VanDerWaalsContact CE-CE2 3.5Å; K670-F674 HydrophobicContact CG-CD2 4.28Å; K670-F674 HydrophobicContact CG-CE1 4.12Å; K670-F674 HydrophobicContact CG-CE2 3.78Å; K670-F674 HydrophobicContact CG-CZ 3.72Å; K670-F674 WeakPolarHBondContact O-CG 3.31Å; K670-F674 PolarHBondContact O-N 3.38Å; K670-F674 VanDerWaalsContact O-N 3.09Å
671	G	90.9	Very high	91.5	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-52.7	174	0	0	0	0	0	111.8	G667 R668 L673 F674 E675	G667-G671 PolarHBondContact O-N 3.37Å; R668-G671 WeakPolarHBondContact O-CA 2.92Å; R668-G671 PolarHBondContact O-N 3.48Å; G671-L673 VanDerWaalsContact C-N 3.31Å; G671-L673 PolarHBondContact O-N 3.26Å; G671-F674 PolarHBondContact O-N 2.96Å; G671-F674 VanDerWaalsContact O-N 3.12Å; G671-E675 PolarHBondContact O-N 3.23Å; G671-E675 VanDerWaalsContact O-N 3.13Å
672	S	91.5	Very high	91.5	Very high	16 Å²	16	50.7 Å²	50.7	11%	0.112	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-40.4	178.9	-51.4	0	0	0	0	112.4	Q518 R668 I669 F674 E675 V676	Q518-S672 PolarHBondContact NE2-OG 3.38Å; Q518-S672 PolarHBondContact OE1-OG 2.79Å; R668-S672 PolarHBondContact O-N 2.97Å; R668-S672 PolarHBondContact O-OG 3.08Å; I669-S672 PolarHBondContact O-N 3.15Å; S672-F674 VanDerWaalsContact C-N 3.32Å; S672-F674 PolarHBondContact O-N 3.45Å; S672-E675 PolarHBondContact O-N 3.36Å; S672-V676 WeakPolarHBondContact O-CG2 3.28Å; S672-V676 PolarHBondContact O-N 3.39Å
673	L	91.5	Very high	91.5	Very high	9 Å²	9	52.4 Å²	52.4	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-39	176.6	-177	66.3	0	0	0	112.5	R493 Y515 I669 G671 V676 Y677	R493-L673 HydrophobicContact CG-CD1 4.16Å; R493-L673 HydrophobicContact CG-CD2 4.37Å; Y515-L673 HydrophobicContact CD2-CB 4.09Å; Y515-L673 HydrophobicContact CD2-CD1 4.23Å; Y515-L673 HydrophobicContact CE2-CB 4.12Å; Y515-L673 HydrophobicContact CE2-CD1 3.88Å; Y515-L673 HydrophobicContact CE2-CG 4.45Å; I669-L673 VanDerWaalsContact O-CB 3.27Å; I669-L673 WeakPolarHBondContact O-CB 3.39Å; I669-L673 PolarHBondContact O-N 3.5Å; G671-L673 VanDerWaalsContact C-N 3.31Å; G671-L673 PolarHBondContact O-N 3.26Å; L673-V676 WeakPolarHBondContact O-CB 3.5Å; L673-V676 PolarHBondContact O-N 3.05Å; L673-Y677 HydrophobicContact CD1-CE1 3.84Å; L673-Y677 HydrophobicContact CD1-CE2 4.2Å; L673-Y677 HydrophobicContact CD2-CE2 4.21Å; L673-Y677 HydrophobicContact CG-CD2 4.44Å; L673-Y677 HydrophobicContact CG-CE1 4.43Å; L673-Y677 HydrophobicContact CG-CE2 3.95Å; L673-Y677 PolarHBondContact O-N 2.94Å
674	F	91.5	Very high	91.5	Very high	65 Å²	65	49.2 Å²	49.2	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-67.5	-38.7	177.8	-69.6	-12.8	0	0	0	112.1	I421 K670 G671 S672 Y677 H678	I421-F674 HydrophobicContact CD1-CB 4.07Å; I421-F674 HydrophobicContact CD1-CD1 4.38Å; I421-F674 HydrophobicContact CD1-CD2 3.67Å; I421-F674 HydrophobicContact CD1-CE2 4.04Å; I421-F674 HydrophobicContact CD1-CG 3.82Å; I421-F674 HydrophobicContact CG2-CB 4.48Å; I421-F674 HydrophobicContact CG2-CD1 3.57Å; I421-F674 HydrophobicContact CG2-CE1 3.8Å; I421-F674 HydrophobicContact CG2-CG 4.05Å; I421-F674 HydrophobicContact CG2-CZ 4.45Å; K670-F674 HydrophobicContact CD-CE2 4.22Å; K670-F674 HydrophobicContact CD-CZ 4.12Å; K670-F674 VanDerWaalsContact CE-CE2 3.5Å; K670-F674 HydrophobicContact CG-CD2 4.28Å; K670-F674 HydrophobicContact CG-CE1 4.12Å; K670-F674 HydrophobicContact CG-CE2 3.78Å; K670-F674 HydrophobicContact CG-CZ 3.72Å; K670-F674 WeakPolarHBondContact O-CG 3.31Å; K670-F674 PolarHBondContact O-N 3.38Å; K670-F674 VanDerWaalsContact O-N 3.09Å; G671-F674 PolarHBondContact O-N 2.96Å; G671-F674 VanDerWaalsContact O-N 3.12Å; S672-F674 VanDerWaalsContact C-N 3.32Å; S672-F674 PolarHBondContact O-N 3.45Å; F674-Y677 PolarHBondContact O-N 2.98Å; F674-H678 WeakPolarHBondContact O-CB 3.47Å; F674-H678 PolarHBondContact O-N 3.01Å
675	E	91.3	Very high	91.3	Very high	105 Å²	105	43.3 Å²	43.3	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-43.4	172.1	-65.3	-55.7	138.2	0	0	111.5	T511 G671 S672 Y677 H678 I679	T511-E675 HydrophobicContact CG2-CB 3.51Å; G671-E675 PolarHBondContact O-N 3.23Å; G671-E675 VanDerWaalsContact O-N 3.13Å; S672-E675 PolarHBondContact O-N 3.36Å; E675-Y677 VanDerWaalsContact C-N 3.32Å; E675-Y677 PolarHBondContact O-N 2.79Å; E675-H678 PolarHBondContact O-N 2.99Å; E675-H678 VanDerWaalsContact O-N 3.16Å; E675-I679 WeakPolarHBondContact O-CG1 3.37Å; E675-I679 PolarHBondContact O-N 2.95Å
676	V	92.9	Very high	91	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-55.1	-49.6	173.7	171.5	0	0	0	0	110.3	L508 T511 R512 S672 L673 H678 A680	L508-V676 HydrophobicContact CD1-CG1 4.03Å; T511-V676 HydrophobicContact CG2-CG2 3.64Å; R512-V676 HydrophobicContact CG-CG1 4.19Å; R512-V676 HydrophobicContact CG-CG2 4.03Å; S672-V676 WeakPolarHBondContact O-CG2 3.28Å; S672-V676 PolarHBondContact O-N 3.39Å; L673-V676 WeakPolarHBondContact O-CB 3.5Å; L673-V676 PolarHBondContact O-N 3.05Å; V676-H678 VanDerWaalsContact C-N 3.33Å; V676-H678 PolarHBondContact O-N 3.18Å; V676-A680 WeakPolarHBondContact O-CB 3.41Å; V676-A680 PolarHBondContact O-N 3.23Å
677	Y	93.4	Very high	90.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-36.2	179.5	-68	-13.9	0	0	0	112.6	I421 E425 I428 K496 L673 F674 E675 D681	I421-Y677 HydrophobicContact CG2-CD2 4.4Å; E425-Y677 HydrophobicContact CB-CD2 4Å; E425-Y677 HydrophobicContact CB-CE2 4.05Å; E425-Y677 HydrophobicContact CG-CD2 4.27Å; E425-Y677 HydrophobicContact CG-CE2 3.81Å; I428-Y677 HydrophobicContact CD1-CD1 3.77Å; I428-Y677 HydrophobicContact CD1-CG 4.19Å; K496-Y677 HydrophobicContact CB-CE1 3.98Å; K496-Y677 WeakPolarHBondContact CE-OH 3.43Å; L673-Y677 HydrophobicContact CD1-CE1 3.84Å; L673-Y677 HydrophobicContact CD1-CE2 4.2Å; L673-Y677 HydrophobicContact CD2-CE2 4.21Å; L673-Y677 HydrophobicContact CG-CD2 4.44Å; L673-Y677 HydrophobicContact CG-CE1 4.43Å; L673-Y677 HydrophobicContact CG-CE2 3.95Å; L673-Y677 PolarHBondContact O-N 2.94Å; F674-Y677 PolarHBondContact O-N 2.98Å; E675-Y677 VanDerWaalsContact C-N 3.32Å; E675-Y677 PolarHBondContact O-N 2.79Å; Y677-D681 WeakPolarHBondContact O-CB 3.25Å; Y677-D681 PolarHBondContact O-N 3.46Å
678	H	90.1	Very high	90.8	Very high	77 Å²	77	45.6 Å²	45.6	36%	0.356	23%	0.225	S	C	.	.	H	α-helix	trans	-67.8	-43.3	-179.6	-160.9	2.7	0	0	0	112.1	V419 F674 E675 V676	V419-H678 VanDerWaalsContact CG2-CE1 3.45Å; V419-H678 WeakPolarHBondContact CG2-CE1 3.49Å; F674-H678 WeakPolarHBondContact O-CB 3.47Å; F674-H678 PolarHBondContact O-N 3.01Å; E675-H678 PolarHBondContact O-N 2.99Å; E675-H678 VanDerWaalsContact O-N 3.16Å; V676-H678 VanDerWaalsContact C-N 3.33Å; V676-H678 PolarHBondContact O-N 3.18Å
679	I	90.9	Very high	90.5	Very high	29 Å²	29	43 Å²	43	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-70.8	-44.9	177.8	-60.6	159.7	0	0	0	110.4	V507 L508 T511 E675 D681 Q682	V507-I679 HydrophobicContact CB-CD1 4.44Å; V507-I679 HydrophobicContact CG1-CD1 3.66Å; L508-I679 HydrophobicContact CB-CG2 3.8Å; L508-I679 HydrophobicContact CD1-CB 4.17Å; L508-I679 HydrophobicContact CD1-CG2 4.14Å; L508-I679 HydrophobicContact CG-CG2 4.48Å; T511-I679 WeakPolarHBondContact OG1-CD1 3.36Å; E675-I679 WeakPolarHBondContact O-CG1 3.37Å; E675-I679 PolarHBondContact O-N 2.95Å; I679-D681 VanDerWaalsContact C-N 3.27Å; I679-D681 PolarHBondContact O-N 2.88Å; I679-Q682 PolarHBondContact O-N 3.31Å
680	A	92.1	Very high	90.2	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-39	177.7	0	0	0	0	0	111.8	I428 I500 L508 V676 Q682 I683 I684	I428-A680 HydrophobicContact CD1-CB 3.86Å; I428-A680 HydrophobicContact CG1-CB 4.44Å; I500-A680 HydrophobicContact CD1-CB 3.57Å; L508-A680 HydrophobicContact CD1-CB 4.32Å; V676-A680 WeakPolarHBondContact O-CB 3.41Å; V676-A680 PolarHBondContact O-N 3.23Å; A680-Q682 VanDerWaalsContact C-N 3.29Å; A680-Q682 PolarHBondContact O-N 3.22Å; A680-I683 PolarHBondContact O-N 3.32Å; A680-I684 WeakPolarHBondContact O-CB 3.43Å; A680-I684 WeakPolarHBondContact O-CG1 3.32Å; A680-I684 PolarHBondContact O-N 2.86Å
681	D	89.7	Confident	90	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-34.5	-179.8	-175	57.9	0	0	0	113.6	V419 A424 R427 Y677 I679 I684 S685	V419-D681 WeakPolarHBondContact CG1-OD2 3.28Å; A424-D681 WeakPolarHBondContact CA-OD1 3.23Å; A424-D681 HydrophobicContact CB-CB 3.63Å; R427-D681 IonicContact CZ-OD1 2.76Å; R427-D681 VanDerWaalsContact CZ-OD1 3.27Å; R427-D681 IonicContact CZ-OD2 2.79Å; R427-D681 IonicContact NE-OD1 2.85Å; R427-D681 PolarHBondContact NE-OD1 3.23Å; R427-D681 IonicContact NE-OD2 3.29Å; R427-D681 IonicContact NH2-OD1 2.85Å; R427-D681 PolarHBondContact NH2-OD1 3.3Å; R427-D681 IonicContact NH2-OD2 2.8Å; R427-D681 PolarHBondContact NH2-OD2 2.85Å; Y677-D681 WeakPolarHBondContact O-CB 3.25Å; Y677-D681 PolarHBondContact O-N 3.46Å; I679-D681 VanDerWaalsContact C-N 3.27Å; I679-D681 PolarHBondContact O-N 2.88Å; D681-I684 PolarHBondContact O-N 3.11Å; D681-S685 WeakPolarHBondContact O-CB 3.2Å; D681-S685 PolarHBondContact O-N 3.02Å; D681-S685 PolarHBondContact O-OG 3.29Å
682	Q	88.7	Confident	89.8	Confident	134 Å²	134	38.7 Å²	38.7	63%	0.626	21%	0.209	S	C	*	.	H	α-helix	trans	-63.6	-50.1	176	-174.7	171.2	-2.6	0	0	110.6	I679 A680 I684 S685 D686	I679-Q682 PolarHBondContact O-N 3.31Å; A680-Q682 VanDerWaalsContact C-N 3.29Å; A680-Q682 PolarHBondContact O-N 3.22Å; Q682-I684 VanDerWaalsContact C-N 3.32Å; Q682-I684 PolarHBondContact O-N 3.37Å; Q682-S685 PolarHBondContact O-N 3.42Å; Q682-D686 PolarHBondContact O-N 3.24Å; Q682-D686 VanDerWaalsContact O-N 3.11Å
683	I	91.2	Very high	89.6	Confident	37 Å²	37	42.2 Å²	42.2	19%	0.19	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-42.8	178.1	-59.2	170.3	0	0	0	110.7	V478 I500 L508 A680 D686 L687	V478-I683 HydrophobicContact CG1-CG2 3.69Å; I500-I683 HydrophobicContact CD1-CB 4.18Å; I500-I683 HydrophobicContact CD1-CD1 4.28Å; I500-I683 HydrophobicContact CD1-CG2 4.26Å; I500-I683 HydrophobicContact CG2-CD1 4.48Å; L508-I683 HydrophobicContact CD2-CD1 4.1Å; A680-I683 PolarHBondContact O-N 3.32Å; I683-D686 PolarHBondContact O-N 3.21Å; I683-L687 PolarHBondContact O-N 3.17Å
684	I	90.9	Very high	89.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-36.5	179.7	-69.4	-69.4	0	0	0	111.6	R427 I428 V431 L479 I500 A680 D681 Q682 D686 L687 I688	R427-I684 HydrophobicContact CB-CG2 4.37Å; I428-I684 HydrophobicContact CG1-CG1 4.29Å; V431-I684 HydrophobicContact CB-CD1 4.37Å; V431-I684 HydrophobicContact CB-CG2 4.21Å; V431-I684 HydrophobicContact CG1-CD1 3.93Å; V431-I684 HydrophobicContact CG2-CG2 3.7Å; L479-I684 HydrophobicContact CD2-CD1 3.95Å; I500-I684 HydrophobicContact CD1-CD1 4.31Å; I500-I684 HydrophobicContact CD1-CG1 4.04Å; I500-I684 HydrophobicContact CG1-CD1 4.31Å; A680-I684 WeakPolarHBondContact O-CB 3.43Å; A680-I684 WeakPolarHBondContact O-CG1 3.32Å; A680-I684 PolarHBondContact O-N 2.86Å; D681-I684 PolarHBondContact O-N 3.11Å; Q682-I684 VanDerWaalsContact C-N 3.32Å; Q682-I684 PolarHBondContact O-N 3.37Å; I684-D686 VanDerWaalsContact C-N 3.33Å; I684-L687 HydrophobicContact CD1-CD2 4.37Å; I684-L687 PolarHBondContact O-N 3.28Å; I684-I688 HydrophobicContact CG2-CD1 3.92Å; I684-I688 HydrophobicContact CG2-CG1 4.38Å; I684-I688 VanDerWaalsContact O-CG1 3.27Å; I684-I688 WeakPolarHBondContact O-CG1 3.38Å; I684-I688 PolarHBondContact O-N 3.3Å
685	S	88.2	Confident	89.3	Confident	37 Å²	37	40.4 Å²	40.4	26%	0.259	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-38.8	176.1	-63.8	0	0	0	0	111.7	D681 Q682 I688 T689	D681-S685 WeakPolarHBondContact O-CB 3.2Å; D681-S685 PolarHBondContact O-N 3.02Å; D681-S685 PolarHBondContact O-OG 3.29Å; Q682-S685 PolarHBondContact O-N 3.42Å; S685-I688 PolarHBondContact O-N 2.91Å; S685-T689 PolarHBondContact O-N 3.1Å; S685-T689 PolarHBondContact O-OG1 2.96Å
686	D	88.4	Confident	89.1	Confident	111 Å²	111	36 Å²	36	59%	0.594	21%	0.206	S	C	*	.	H	α-helix	trans	-65.8	-42.7	174.3	-66	-18.9	0	0	0	110.7	Q682 I683 I684 T689 G690	Q682-D686 PolarHBondContact O-N 3.24Å; Q682-D686 VanDerWaalsContact O-N 3.11Å; I683-D686 PolarHBondContact O-N 3.21Å; I684-D686 VanDerWaalsContact C-N 3.33Å; D686-T689 PolarHBondContact O-N 2.61Å; D686-G690 PolarHBondContact O-N 3.01Å
687	L	90.3	Very high	89.1	Confident	15 Å²	15	36.5 Å²	36.5	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-47.4	174	-179.7	62.2	0	0	0	112.1	V431 I474 L475 V478 L479 I683 I684 T689 G690 L691	V431-L687 HydrophobicContact CG1-CD2 4.04Å; I474-L687 HydrophobicContact CG2-CD1 4.19Å; L475-L687 HydrophobicContact CD2-CD1 4.32Å; L475-L687 HydrophobicContact CD2-CD2 3.84Å; L475-L687 HydrophobicContact CD2-CG 4.15Å; V478-L687 HydrophobicContact CB-CD2 4.01Å; V478-L687 HydrophobicContact CG1-CD2 4.18Å; V478-L687 HydrophobicContact CG2-CD1 4.1Å; V478-L687 HydrophobicContact CG2-CD2 4.35Å; L479-L687 HydrophobicContact CG-CD2 4.44Å; I683-L687 PolarHBondContact O-N 3.17Å; I684-L687 HydrophobicContact CD1-CD2 4.37Å; I684-L687 PolarHBondContact O-N 3.28Å; L687-T689 VanDerWaalsContact C-N 3.29Å; L687-T689 PolarHBondContact O-N 2.94Å; L687-G690 WeakPolarHBondContact O-CA 3.43Å; L687-G690 PolarHBondContact O-N 3.28Å; L687-L691 WeakPolarHBondContact O-CG 3.24Å; L687-L691 PolarHBondContact O-N 3.42Å; L687-L691 VanDerWaalsContact O-N 3.17Å
688	I	87.8	Confident	89	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-42.9	177.2	-73	167.9	0	0	0	110.9	C316 R427 V431 I684 S685 G690 L691 H692	C316-I688 HydrophobicContact CB-CG2 3.87Å; C316-I688 WeakPolarHBondContact O-CG2 3.38Å; R427-I688 HydrophobicContact CB-CD1 4.39Å; R427-I688 HydrophobicContact CG-CD1 4.34Å; V431-I688 HydrophobicContact CG2-CD1 3.77Å; V431-I688 HydrophobicContact CG2-CG1 3.6Å; I684-I688 HydrophobicContact CG2-CD1 3.92Å; I684-I688 HydrophobicContact CG2-CG1 4.38Å; I684-I688 VanDerWaalsContact O-CG1 3.27Å; I684-I688 WeakPolarHBondContact O-CG1 3.38Å; I684-I688 PolarHBondContact O-N 3.3Å; S685-I688 PolarHBondContact O-N 2.91Å; I688-G690 PolarHBondContact O-N 3.42Å; I688-L691 WeakPolarHBondContact O-CB 3.49Å; I688-L691 PolarHBondContact O-N 3.07Å; I688-H692 PolarHBondContact O-CD2 3.25Å; I688-H692 VanDerWaalsContact O-CD2 3.3Å; I688-H692 PolarHBondContact O-N 3.27Å
689	T	85.4	Confident	89	Confident	85 Å²	85	32.8 Å²	32.8	52%	0.521	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-36.2	176.8	-54.5	0	0	0	0	111	S685 D686 L687 L691 H692	S685-T689 PolarHBondContact O-N 3.1Å; S685-T689 PolarHBondContact O-OG1 2.96Å; D686-T689 PolarHBondContact O-N 2.61Å; L687-T689 VanDerWaalsContact C-N 3.29Å; L687-T689 PolarHBondContact O-N 2.94Å; T689-L691 VanDerWaalsContact C-N 3.28Å; T689-L691 PolarHBondContact O-N 3.44Å; T689-H692 PolarHBondContact O-N 2.83Å
690	G	86.4	Confident	89.1	Confident	41 Å²	41	34.7 Å²	34.7	42%	0.423	20%	0.197	S	C	.	.	H	α-helix	trans	-65	-23.8	172.8	0	0	0	0	0	114.8	D686 L687 I688 P693	D686-G690 PolarHBondContact O-N 3.01Å; L687-G690 WeakPolarHBondContact O-CA 3.43Å; L687-G690 PolarHBondContact O-N 3.28Å; I688-G690 PolarHBondContact O-N 3.42Å; G690-P693 WeakPolarHBondContact O-CD 3.3Å
691	L	88	Confident	89.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-85.9	-13.2	178.5	-60.3	172.2	0	0	0	113.6	V471 I474 L475 L687 I688 T689 P693 D694 M695	V471-L691 HydrophobicContact CG1-CD2 3.78Å; I474-L691 HydrophobicContact CG2-CD2 4.44Å; L475-L691 HydrophobicContact CD2-CD1 3.81Å; L475-L691 HydrophobicContact CD2-CD2 4.14Å; L475-L691 HydrophobicContact CD2-CG 4.5Å; L475-L691 HydrophobicContact CG-CD2 4.31Å; L687-L691 WeakPolarHBondContact O-CG 3.24Å; L687-L691 PolarHBondContact O-N 3.42Å; L687-L691 VanDerWaalsContact O-N 3.17Å; I688-L691 WeakPolarHBondContact O-CB 3.49Å; I688-L691 PolarHBondContact O-N 3.07Å; T689-L691 VanDerWaalsContact C-N 3.28Å; T689-L691 PolarHBondContact O-N 3.44Å; L691-P693 VanDerWaalsContact C-N 3.35Å; L691-D694 PolarHBondContact O-N 3.41Å; L691-M695 HydrophobicContact CB-CE 3.71Å; L691-M695 WeakPolarHBondContact O-CE 3.42Å
692	H	85.7	Confident	89.3	Confident	30 Å²	30	34.6 Å²	34.6	14%	0.139	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-55.2	-38.9	-177.9	-72	174.5	0	0	0	114.7	A209 C316 I688 T689 D694 M695	A209-H692 VanDerWaalsContact CB-CE1 3.44Å; A209-H692 WeakPolarHBondContact CB-CE1 3.49Å; C316-H692 PolarHBondContact O-NE2 3.33Å; I688-H692 PolarHBondContact O-CD2 3.25Å; I688-H692 VanDerWaalsContact O-CD2 3.3Å; I688-H692 PolarHBondContact O-N 3.27Å; T689-H692 PolarHBondContact O-N 2.83Å; H692-D694 PolarHBondContact O-N 3.25Å; H692-M695 WeakPolarHBondContact O-CG 3.49Å; H692-M695 PolarHBondContact O-N 3.19Å
693	P	86.4	Confident	89.5	Confident	90 Å²	90	33 Å²	33	58%	0.584	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-61	-24.5	175.9	-24	36	0	0	0	114.5	H173 G690 L691	H173-P693 PolarHBondContact NE2-O 3.22Å; G690-P693 WeakPolarHBondContact O-CD 3.3Å; L691-P693 VanDerWaalsContact C-N 3.35Å
694	D	89.1	Confident	89.8	Confident	36 Å²	36	31.3 Å²	31.3	19%	0.193	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-102.2	10	-175.5	-53.7	-52.2	0	0	0	112.3	V471 L691 H692 A696 L697	V471-D694 HydrophobicContact CG2-CB 3.78Å; L691-D694 PolarHBondContact O-N 3.41Å; H692-D694 PolarHBondContact O-N 3.25Å; D694-A696 PolarHBondContact O-N 2.99Å; D694-A696 VanDerWaalsContact O-N 3.13Å; D694-L697 WeakPolarHBondContact O-CB 3.25Å; D694-L697 PolarHBondContact O-N 2.83Å
695	M	87.6	Confident	90	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-31.1	-176.1	-75.4	-69.3	119.5	0	0	113.8	L313 V317 L691 H692 L697 F698 Y699	L313-M695 HydrophobicContact CD2-SD 4.1Å; V317-M695 HydrophobicContact CG2-SD 4.4Å; L691-M695 HydrophobicContact CB-CE 3.71Å; L691-M695 WeakPolarHBondContact O-CE 3.42Å; H692-M695 WeakPolarHBondContact O-CG 3.49Å; H692-M695 PolarHBondContact O-N 3.19Å; M695-L697 PolarHBondContact O-N 3.29Å; M695-F698 HydrophobicContact CE-CD2 3.67Å; M695-F698 HydrophobicContact CE-CE2 3.53Å; M695-F698 PolarHBondContact O-N 3.47Å; M695-F698 HydrophobicContact SD-CD2 4.14Å; M695-Y699 HydrophobicContact CB-CE2 4.15Å; M695-Y699 WeakPolarHBondContact O-CD2 3.33Å; M695-Y699 PolarHBondContact O-N 3.18Å
696	A	88.8	Confident	90.4	Very high	12 Å²	12	30 Å²	30	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-33.4	173.8	0	0	0	0	0	113.4	H173 H175 D694 Y699 R700	H173-A696 WeakPolarHBondContact CE1-CB 3.46Å; H173-A696 WeakPolarHBondContact ND1-CB 3.4Å; H175-A696 HydrophobicContact CB-CB 3.85Å; D694-A696 PolarHBondContact O-N 2.99Å; D694-A696 VanDerWaalsContact O-N 3.13Å; A696-Y699 PolarHBondContact O-N 3.14Å; A696-R700 WeakPolarHBondContact O-CB 3.19Å; A696-R700 PolarHBondContact O-N 3.13Å
697	L	92	Very high	90.8	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-43.7	179.6	-173.5	64.7	0	0	0	111	E467 Y468 V471 D694 M695 R700 L701	E467-L697 HydrophobicContact CB-CD1 4.18Å; E467-L697 HydrophobicContact CB-CD2 3.89Å; Y468-L697 HydrophobicContact CD1-CD1 3.86Å; Y468-L697 HydrophobicContact CD1-CD2 3.56Å; Y468-L697 HydrophobicContact CD1-CG 3.6Å; Y468-L697 HydrophobicContact CD2-CD1 4.36Å; Y468-L697 HydrophobicContact CE1-CD1 3.51Å; Y468-L697 HydrophobicContact CE1-CD2 3.93Å; Y468-L697 HydrophobicContact CE1-CG 3.38Å; Y468-L697 HydrophobicContact CE2-CD1 4.03Å; Y468-L697 HydrophobicContact CG-CD1 4.27Å; Y468-L697 HydrophobicContact CG-CD2 4.14Å; Y468-L697 HydrophobicContact CG-CG 4.38Å; V471-L697 HydrophobicContact CG2-CD2 3.9Å; D694-L697 WeakPolarHBondContact O-CB 3.25Å; D694-L697 PolarHBondContact O-N 2.83Å; M695-L697 PolarHBondContact O-N 3.29Å; L697-R700 PolarHBondContact O-N 3.08Å; L697-L701 PolarHBondContact O-N 3.46Å
698	F	90.9	Very high	91.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.6	-36.3	177.7	-59.8	-77.9	0	0	0	113	L313 I434 L438 V471 M695 R700 L701 S702	L313-F698 HydrophobicContact CD1-CB 3.83Å; L313-F698 HydrophobicContact CD2-CB 3.59Å; L313-F698 HydrophobicContact CD2-CD1 4.35Å; L313-F698 HydrophobicContact CD2-CD2 4.21Å; L313-F698 HydrophobicContact CD2-CG 3.81Å; L313-F698 HydrophobicContact CG-CB 4.31Å; I434-F698 HydrophobicContact CG2-CE1 3.65Å; I434-F698 HydrophobicContact CG2-CZ 3.91Å; L438-F698 HydrophobicContact CD1-CE1 4.15Å; L438-F698 HydrophobicContact CD1-CZ 4.41Å; L438-F698 HydrophobicContact CD2-CE1 3.98Å; L438-F698 HydrophobicContact CG-CE1 4.2Å; V471-F698 HydrophobicContact CG1-CE2 4.41Å; V471-F698 HydrophobicContact CG1-CZ 3.82Å; M695-F698 HydrophobicContact CE-CD2 3.67Å; M695-F698 HydrophobicContact CE-CE2 3.53Å; M695-F698 PolarHBondContact O-N 3.47Å; M695-F698 HydrophobicContact SD-CD2 4.14Å; F698-R700 VanDerWaalsContact C-N 3.35Å; F698-L701 PolarHBondContact O-N 2.93Å; F698-S702 PolarHBondContact O-N 3.37Å
699	Y	91.2	Very high	91.6	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-39.6	175.4	-66.8	-48.6	0	0	0	112.3	A94 N95 Y176 S212 M213 K214 L313 M695 A696 S702 E703	A94-Y699 PolarHBondContact O-OH 3.24Å; A94-Y699 VanDerWaalsContact O-OH 3.07Å; N95-Y699 VanDerWaalsContact OD1-CE1 3.24Å; N95-Y699 WeakPolarHBondContact OD1-CE1 3.31Å; Y176-Y699 HydrophobicContact CE2-CD2 4.14Å; Y176-Y699 WeakPolarHBondContact OH-CB 3.17Å; S212-Y699 WeakPolarHBondContact O-CE2 3.48Å; S212-Y699 PolarHBondContact O-OH 2.95Å; M213-Y699 WeakPolarHBondContact CA-OH 3.49Å; K214-Y699 HydrophobicContact CB-CD1 3.71Å; K214-Y699 HydrophobicContact CB-CD2 3.82Å; K214-Y699 HydrophobicContact CB-CE1 3.54Å; K214-Y699 HydrophobicContact CB-CE2 3.67Å; K214-Y699 HydrophobicContact CB-CG 3.84Å; K214-Y699 HydrophobicContact CD-CD1 3.78Å; K214-Y699 HydrophobicContact CD-CE1 4.34Å; K214-Y699 HydrophobicContact CD-CG 3.98Å; K214-Y699 HydrophobicContact CG-CD1 4.25Å; K214-Y699 HydrophobicContact CG-CD2 4.46Å; K214-Y699 HydrophobicContact CG-CG 4.21Å; K214-Y699 VanDerWaalsContact N-CZ 3.33Å; K214-Y699 PolarHBondContact N-OH 3.29Å; K214-Y699 VanDerWaalsContact N-OH 3.09Å; L313-Y699 HydrophobicContact CD1-CD1 3.74Å; L313-Y699 HydrophobicContact CD1-CE1 3.63Å; M695-Y699 HydrophobicContact CB-CE2 4.15Å; M695-Y699 WeakPolarHBondContact O-CD2 3.33Å; M695-Y699 PolarHBondContact O-N 3.18Å; A696-Y699 PolarHBondContact O-N 3.14Å; Y699-S702 WeakPolarHBondContact O-CB 3.11Å; Y699-S702 PolarHBondContact O-N 2.85Å; Y699-E703 PolarHBondContact O-N 3.44Å; Y699-E703 VanDerWaalsContact O-N 3.12Å
700	R	92.4	Very high	92.1	Very high	70 Å²	70	19.8 Å²	19.8	26%	0.264	12%	0.115	S	C	.	.	H	α-helix	trans	-62.5	-46.9	172.7	-172.8	-168.9	-61.9	170.3	6.8	111	L462 D465 A696 L697 F698 S702 E703 V704	L462-R700 HydrophobicContact CD1-CG 4.44Å; D465-R700 IonicContact OD2-CZ 3.07Å; D465-R700 IonicContact OD2-NH1 3.36Å; D465-R700 PolarHBondContact OD2-NH1 3.16Å; A696-R700 WeakPolarHBondContact O-CB 3.19Å; A696-R700 PolarHBondContact O-N 3.13Å; L697-R700 PolarHBondContact O-N 3.08Å; F698-R700 VanDerWaalsContact C-N 3.35Å; R700-S702 VanDerWaalsContact C-N 3.27Å; R700-S702 PolarHBondContact O-N 3.04Å; R700-E703 PolarHBondContact O-N 2.89Å; R700-E703 VanDerWaalsContact O-N 3.11Å; R700-V704 WeakPolarHBondContact O-CG2 3.45Å; R700-V704 PolarHBondContact O-N 2.92Å
701	L	94.7	Very high	92.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.4	-43.8	175.5	-179.9	59.4	0	0	0	111.5	F306 I309 M437 V441 L463 Y468 L697 F698 E703 V704 V705	F306-L701 HydrophobicContact CE1-CD2 4.45Å; I309-L701 HydrophobicContact CD1-CG 4.34Å; M437-L701 HydrophobicContact CG-CD2 4.04Å; M437-L701 HydrophobicContact SD-CD2 3.72Å; V441-L701 HydrophobicContact CG2-CD1 3.87Å; V441-L701 HydrophobicContact CG2-CD2 3.69Å; V441-L701 HydrophobicContact CG2-CG 4.46Å; L463-L701 HydrophobicContact CD2-CD1 3.76Å; Y468-L701 HydrophobicContact CE1-CB 4Å; Y468-L701 HydrophobicContact CE1-CD1 4.48Å; Y468-L701 HydrophobicContact CE1-CD2 4.13Å; Y468-L701 HydrophobicContact CE1-CG 4.44Å; L697-L701 PolarHBondContact O-N 3.46Å; F698-L701 PolarHBondContact O-N 2.93Å; L701-E703 VanDerWaalsContact C-N 3.31Å; L701-E703 PolarHBondContact O-N 3.04Å; L701-V704 PolarHBondContact O-N 2.71Å; L701-V705 HydrophobicContact CD1-CG2 3.88Å; L701-V705 HydrophobicContact CG-CG2 4.24Å; L701-V705 WeakPolarHBondContact O-CB 3.27Å; L701-V705 VanDerWaalsContact O-CG2 3.28Å; L701-V705 WeakPolarHBondContact O-CG2 3Å; L701-V705 PolarHBondContact O-N 2.78Å
702	S	92.1	Very high	93.1	Very high	7 Å²	7	18 Å²	18	5%	0.049	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-38.8	177.2	-171	0	0	0	0	113	F698 Y699 R700 A706	F698-S702 PolarHBondContact O-N 3.37Å; Y699-S702 WeakPolarHBondContact O-CB 3.11Å; Y699-S702 PolarHBondContact O-N 2.85Å; R700-S702 VanDerWaalsContact C-N 3.27Å; R700-S702 PolarHBondContact O-N 3.04Å; S702-A706 VanDerWaalsContact O-CB 3.25Å; S702-A706 WeakPolarHBondContact O-CB 3.17Å; S702-A706 PolarHBondContact O-N 2.95Å
703	E	92.9	Very high	93.6	Very high	99 Å²	99	16.5 Å²	16.5	46%	0.463	9%	0.089	S	C	.	.	H	α-helix	trans	-68.6	-43.7	177.1	-72.8	175.2	-177.8	0	0	111.6	K214 Y699 R700 L701 A706 G707	K214-E703 WeakPolarHBondContact CE-OE1 3.08Å; K214-E703 IonicContact NZ-OE1 2.64Å; K214-E703 PolarHBondContact NZ-OE1 3.37Å; Y699-E703 PolarHBondContact O-N 3.44Å; Y699-E703 VanDerWaalsContact O-N 3.12Å; R700-E703 PolarHBondContact O-N 2.89Å; R700-E703 VanDerWaalsContact O-N 3.11Å; L701-E703 VanDerWaalsContact C-N 3.31Å; L701-E703 PolarHBondContact O-N 3.04Å; E703-A706 PolarHBondContact O-N 3.31Å; E703-G707 PolarHBondContact O-N 3.41Å
704	V	96.3	Very high	94.1	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-47.7	177.5	173.8	0	0	0	0	111	Y459 L462 L463 R700 L701 A706 G707 L708	Y459-V704 HydrophobicContact CD1-CB 4.44Å; Y459-V704 HydrophobicContact CD1-CG1 4.12Å; Y459-V704 HydrophobicContact CD1-CG2 4.1Å; Y459-V704 HydrophobicContact CG-CG1 4.02Å; L462-V704 HydrophobicContact CB-CG2 3.95Å; L462-V704 HydrophobicContact CD1-CG2 3.71Å; L463-V704 HydrophobicContact CD1-CG1 4.17Å; L463-V704 HydrophobicContact CD2-CG1 4.07Å; L463-V704 HydrophobicContact CG-CG1 3.97Å; R700-V704 WeakPolarHBondContact O-CG2 3.45Å; R700-V704 PolarHBondContact O-N 2.92Å; L701-V704 PolarHBondContact O-N 2.71Å; V704-A706 PolarHBondContact O-N 2.98Å; V704-G707 PolarHBondContact O-N 3.2Å; V704-L708 VanDerWaalsContact O-CB 3.25Å; V704-L708 WeakPolarHBondContact O-CB 3.29Å; V704-L708 PolarHBondContact O-N 2.95Å
705	V	96.5	Very high	94.5	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-60.7	-46.2	178.2	168.8	0	0	0	0	110.7	T258 L303 F306 I309 L444 L701 D709	T258-V705 HydrophobicContact CG2-CG1 3.95Å; L303-V705 HydrophobicContact CD2-CG1 3.88Å; F306-V705 HydrophobicContact CD1-CG2 4.21Å; F306-V705 HydrophobicContact CE1-CG2 3.95Å; F306-V705 HydrophobicContact CZ-CG2 4.24Å; I309-V705 HydrophobicContact CD1-CB 4.15Å; I309-V705 HydrophobicContact CD1-CG1 4.27Å; I309-V705 HydrophobicContact CD1-CG2 4.09Å; L444-V705 HydrophobicContact CD2-CG2 4.29Å; L701-V705 HydrophobicContact CD1-CG2 3.88Å; L701-V705 HydrophobicContact CG-CG2 4.24Å; L701-V705 WeakPolarHBondContact O-CB 3.27Å; L701-V705 VanDerWaalsContact O-CG2 3.28Å; L701-V705 WeakPolarHBondContact O-CG2 3Å; L701-V705 PolarHBondContact O-N 2.78Å; V705-D709 WeakPolarHBondContact O-CB 3.47Å; V705-D709 PolarHBondContact O-N 2.89Å
706	A	95.1	Very high	94.8	Very high	10 Å²	10	13.9 Å²	13.9	8%	0.083	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-43.2	177.9	0	0	0	0	0	112.5	L264 S702 E703 V704 L710	L264-A706 HydrophobicContact CD2-CB 4.11Å; S702-A706 VanDerWaalsContact O-CB 3.25Å; S702-A706 WeakPolarHBondContact O-CB 3.17Å; S702-A706 PolarHBondContact O-N 2.95Å; E703-A706 PolarHBondContact O-N 3.31Å; V704-A706 PolarHBondContact O-N 2.98Å; A706-L710 WeakPolarHBondContact O-CB 3.49Å; A706-L710 PolarHBondContact O-N 2.94Å
707	G	96.8	Very high	94.9	Very high	3 Å²	3	13.3 Å²	13.3	3%	0.031	6%	0.062	C	C	.	.	H	α-helix	trans	-67.3	-42.5	179.5	0	0	0	0	0	112.8	E703 V704 L710 L711	E703-G707 PolarHBondContact O-N 3.41Å; V704-G707 PolarHBondContact O-N 3.2Å; G707-L710 PolarHBondContact O-N 2.8Å; G707-L711 WeakPolarHBondContact O-CG 3.37Å; G707-L711 PolarHBondContact O-N 2.83Å
708	L	97.2	Very high	94.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.8	-41.7	176.8	-175	62.1	0	0	0	111.6	I299 L444 M448 L456 Y459 V704 L710 L711 A712	I299-L708 HydrophobicContact CD1-CD1 4.38Å; I299-L708 HydrophobicContact CG2-CD1 4.4Å; I299-L708 HydrophobicContact CG2-CD2 3.8Å; I299-L708 HydrophobicContact CG2-CG 3.89Å; L444-L708 HydrophobicContact CD1-CD2 3.89Å; L444-L708 HydrophobicContact CD2-CD2 4.23Å; L444-L708 HydrophobicContact CG-CD2 4.23Å; M448-L708 HydrophobicContact CE-CD1 4.23Å; M448-L708 HydrophobicContact CG-CD2 4.33Å; M448-L708 HydrophobicContact SD-CD2 4.05Å; L456-L708 HydrophobicContact CD2-CD1 3.67Å; Y459-L708 HydrophobicContact CD2-CB 4.25Å; Y459-L708 HydrophobicContact CD2-CD1 4.38Å; V704-L708 VanDerWaalsContact O-CB 3.25Å; V704-L708 WeakPolarHBondContact O-CB 3.29Å; V704-L708 PolarHBondContact O-N 2.95Å; L708-L710 PolarHBondContact O-N 3.27Å; L708-L711 PolarHBondContact O-N 2.67Å; L708-A712 VanDerWaalsContact O-CB 3.32Å; L708-A712 WeakPolarHBondContact O-CB 3.29Å; L708-A712 PolarHBondContact O-N 2.99Å
709	D	97.7	Very high	94.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.2	-38.5	177	-169.2	27.4	0	0	0	112.3	S257 T258 L303 V705 A712 S713	S257-D709 PolarHBondContact N-OD1 3.23Å; S257-D709 PolarHBondContact N-OD2 3.21Å; S257-D709 VanDerWaalsContact N-OD2 3.14Å; T258-D709 WeakPolarHBondContact CA-OD2 3.39Å; T258-D709 VanDerWaalsContact CB-OD2 3.29Å; T258-D709 WeakPolarHBondContact CB-OD2 3.3Å; T258-D709 PolarHBondContact N-OD2 3.4Å; T258-D709 PolarHBondContact OG1-OD2 3.46Å; L303-D709 HydrophobicContact CD1-CB 3.88Å; V705-D709 WeakPolarHBondContact O-CB 3.47Å; V705-D709 PolarHBondContact O-N 2.89Å; D709-A712 PolarHBondContact O-N 3.47Å; D709-S713 VanDerWaalsContact O-CB 3.31Å; D709-S713 WeakPolarHBondContact O-CB 3.42Å; D709-S713 PolarHBondContact O-N 3.48Å
710	L	97.4	Very high	94.6	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-48.9	172.9	-178.3	72.8	0	0	0	111.8	L264 L265 A706 G707 L708 S713 F714	L264-L710 HydrophobicContact CD2-CB 4.19Å; L264-L710 HydrophobicContact CD2-CD2 3.99Å; L264-L710 HydrophobicContact CG-CD2 4.12Å; L265-L710 HydrophobicContact CB-CD1 3.71Å; L265-L710 HydrophobicContact CD1-CD1 3.81Å; L265-L710 HydrophobicContact CG-CD1 4.37Å; A706-L710 WeakPolarHBondContact O-CB 3.49Å; A706-L710 PolarHBondContact O-N 2.94Å; G707-L710 PolarHBondContact O-N 2.8Å; L708-L710 PolarHBondContact O-N 3.27Å; L710-S713 WeakPolarHBondContact O-CB 3.04Å; L710-S713 PolarHBondContact O-N 2.95Å; L710-F714 HydrophobicContact CD1-CE1 4Å; L710-F714 HydrophobicContact CD1-CE2 4.18Å; L710-F714 HydrophobicContact CD1-CZ 3.62Å; L710-F714 HydrophobicContact CD2-CE2 4.2Å; L710-F714 HydrophobicContact CD2-CZ 4.3Å; L710-F714 HydrophobicContact CG-CE1 4.49Å; L710-F714 HydrophobicContact CG-CE2 3.86Å; L710-F714 HydrophobicContact CG-CZ 3.84Å; L710-F714 WeakPolarHBondContact O-CG 3.27Å; L710-F714 PolarHBondContact O-N 3.44Å; L710-F714 VanDerWaalsContact O-N 3.09Å
711	L	97.7	Very high	93.9	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-65.5	-42	179.8	-64.4	172	0	0	0	111.6	R282 V286 L289 L455 L456 Y459 G707 L708 S713 F714 A715	R282-L711 HydrophobicContact CB-CD2 3.97Å; R282-L711 HydrophobicContact CG-CD2 4.02Å; V286-L711 HydrophobicContact CG2-CD2 3.97Å; L289-L711 HydrophobicContact CD1-CB 4.07Å; L455-L711 HydrophobicContact CD2-CD1 3.76Å; L455-L711 HydrophobicContact CD2-CD2 4.33Å; L455-L711 HydrophobicContact CG-CD1 4.22Å; L456-L711 HydrophobicContact CD2-CD1 3.94Å; Y459-L711 HydrophobicContact CE2-CD1 3.81Å; G707-L711 WeakPolarHBondContact O-CG 3.37Å; G707-L711 PolarHBondContact O-N 2.83Å; L708-L711 PolarHBondContact O-N 2.67Å; L711-S713 VanDerWaalsContact C-N 3.3Å; L711-S713 PolarHBondContact O-N 3.32Å; L711-F714 PolarHBondContact O-N 2.88Å; L711-A715 PolarHBondContact O-N 2.86Å
712	A	97.2	Very high	92.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-39.3	174.9	0	0	0	0	0	111.4	L296 Q300 L708 D709 A715 K716	L296-A712 HydrophobicContact CD1-CB 3.64Å; Q300-A712 HydrophobicContact CG-CB 4.21Å; L708-A712 VanDerWaalsContact O-CB 3.32Å; L708-A712 WeakPolarHBondContact O-CB 3.29Å; L708-A712 PolarHBondContact O-N 2.99Å; D709-A712 PolarHBondContact O-N 3.47Å; A712-A715 PolarHBondContact O-N 3.25Å; A712-K716 VanDerWaalsContact O-CB 3.26Å; A712-K716 WeakPolarHBondContact O-CB 3.38Å; A712-K716 PolarHBondContact O-N 2.9Å
713	S	96.5	Very high	91	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-44.6	174.5	-174.2	0	0	0	0	111.8	I253 F255 T256 D709 L710 L711 K716 M717	I253-S713 PolarHBondContact O-OG 3.48Å; F255-S713 WeakPolarHBondContact CA-OG 3.45Å; F255-S713 WeakPolarHBondContact CB-OG 3.32Å; F255-S713 PolarHBondContact N-OG 2.92Å; T256-S713 PolarHBondContact N-OG 3.26Å; D709-S713 VanDerWaalsContact O-CB 3.31Å; D709-S713 WeakPolarHBondContact O-CB 3.42Å; D709-S713 PolarHBondContact O-N 3.48Å; L710-S713 WeakPolarHBondContact O-CB 3.04Å; L710-S713 PolarHBondContact O-N 2.95Å; L711-S713 VanDerWaalsContact C-N 3.3Å; L711-S713 PolarHBondContact O-N 3.32Å; S713-K716 PolarHBondContact O-N 3.22Å; S713-M717 VanDerWaalsContact O-CB 3.31Å; S713-M717 WeakPolarHBondContact O-CB 3.3Å; S713-M717 PolarHBondContact O-N 3.02Å
714	F	96.9	Very high	89.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-41.5	176.7	-64.4	-22.3	0	0	0	112.8	L265 V286 L710 L711 S718 I794	L265-F714 HydrophobicContact CD1-CE1 3.69Å; L265-F714 HydrophobicContact CD1-CZ 4.2Å; V286-F714 HydrophobicContact CG1-CB 4.14Å; V286-F714 HydrophobicContact CG2-CB 3.72Å; V286-F714 HydrophobicContact CG2-CD2 4.03Å; V286-F714 HydrophobicContact CG2-CG 4.41Å; L710-F714 HydrophobicContact CD1-CE1 4Å; L710-F714 HydrophobicContact CD1-CE2 4.18Å; L710-F714 HydrophobicContact CD1-CZ 3.62Å; L710-F714 HydrophobicContact CD2-CE2 4.2Å; L710-F714 HydrophobicContact CD2-CZ 4.3Å; L710-F714 HydrophobicContact CG-CE1 4.49Å; L710-F714 HydrophobicContact CG-CE2 3.86Å; L710-F714 HydrophobicContact CG-CZ 3.84Å; L710-F714 WeakPolarHBondContact O-CG 3.27Å; L710-F714 PolarHBondContact O-N 3.44Å; L710-F714 VanDerWaalsContact O-N 3.09Å; L711-F714 PolarHBondContact O-N 2.88Å; F714-S718 WeakPolarHBondContact O-CB 3.24Å; F714-S718 PolarHBondContact O-N 2.98Å; F714-S718 PolarHBondContact O-OG 3.27Å; F714-I794 HydrophobicContact CE1-CD1 3.65Å; F714-I794 HydrophobicContact CE1-CG1 4.27Å; F714-I794 HydrophobicContact CE2-CG1 4.28Å; F714-I794 HydrophobicContact CZ-CB 4.17Å; F714-I794 HydrophobicContact CZ-CD1 3.53Å; F714-I794 HydrophobicContact CZ-CG1 3.73Å
715	A	95.6	Very high	87.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-43.6	175.8	0	0	0	0	0	111.4	V286 L289 I290 L296 L711 A712 S718 L719	V286-A715 HydrophobicContact CG1-CB 4.34Å; L289-A715 HydrophobicContact CB-CB 3.64Å; L289-A715 HydrophobicContact CD1-CB 4.36Å; I290-A715 HydrophobicContact CG1-CB 3.88Å; L296-A715 HydrophobicContact CD1-CB 4.08Å; L296-A715 HydrophobicContact CD2-CB 3.95Å; L711-A715 PolarHBondContact O-N 2.86Å; A712-A715 PolarHBondContact O-N 3.25Å; A715-S718 PolarHBondContact O-N 2.87Å; A715-L719 WeakPolarHBondContact O-CG 3.18Å; A715-L719 PolarHBondContact O-N 3.36Å
716	K	94.2	Very high	86.6	Confident	71 Å²	71	36.7 Å²	36.7	31%	0.309	18%	0.181	S	C	.	.	H	α-helix	trans	-63.7	-45.5	177.5	-176.9	60.9	176.2	-178.3	0	111.8	F255 L296 A712 S713 S718 L719 T720	F255-K716 HydrophobicContact CB-CB 4.18Å; F255-K716 HydrophobicContact CB-CG 4.07Å; F255-K716 HydrophobicContact CD1-CG 3.93Å; F255-K716 HydrophobicContact CG-CG 4.12Å; L296-K716 HydrophobicContact CD2-CB 4.35Å; A712-K716 VanDerWaalsContact O-CB 3.26Å; A712-K716 WeakPolarHBondContact O-CB 3.38Å; A712-K716 PolarHBondContact O-N 2.9Å; S713-K716 PolarHBondContact O-N 3.22Å; K716-S718 VanDerWaalsContact C-N 3.31Å; K716-S718 PolarHBondContact O-N 3.45Å; K716-L719 PolarHBondContact O-N 3.42Å; K716-T720 WeakPolarHBondContact CE-OG1 3.37Å; K716-T720 VanDerWaalsContact O-CB 3.28Å; K716-T720 WeakPolarHBondContact O-CB 3.33Å; K716-T720 PolarHBondContact O-N 2.78Å; K716-T720 PolarHBondContact O-OG1 2.92Å
717	M	92.4	Very high	86.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-53.5	-51.7	173.7	176.3	-177.7	65.8	0	0	110.4	I253 F255 S713 L719 T720 Y721 F727 I744 S796	I253-M717 HydrophobicContact CB-SD 3.49Å; I253-M717 WeakPolarHBondContact CB-SD 3.49Å; I253-M717 HydrophobicContact CG2-SD 3.37Å; I253-M717 WeakPolarHBondContact CG2-SD 3.4Å; F255-M717 HydrophobicContact CD2-CB 3.73Å; F255-M717 HydrophobicContact CD2-CG 4.37Å; F255-M717 HydrophobicContact CE2-CB 3.84Å; F255-M717 HydrophobicContact CE2-CG 4.05Å; S713-M717 VanDerWaalsContact O-CB 3.31Å; S713-M717 WeakPolarHBondContact O-CB 3.3Å; S713-M717 PolarHBondContact O-N 3.02Å; M717-L719 PolarHBondContact O-N 3.46Å; M717-T720 PolarHBondContact O-N 3.27Å; M717-Y721 HydrophobicContact CG-CD2 3.69Å; M717-Y721 HydrophobicContact CG-CE2 3.78Å; M717-Y721 WeakPolarHBondContact O-CD2 3.2Å; M717-Y721 PolarHBondContact O-N 3.49Å; M717-F727 HydrophobicContact CE-CE1 4.09Å; M717-F727 HydrophobicContact CG-CE1 4.31Å; M717-F727 HydrophobicContact SD-CE1 4.45Å; M717-I744 HydrophobicContact CG-CD1 4.41Å; M717-I744 HydrophobicContact SD-CD1 3.71Å; M717-S796 WeakPolarHBondContact CE-OG 3.13Å
718	S	91.2	Very high	86.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-49.3	-179.1	-54.3	0	0	0	0	110.9	F714 A715 K716 S722	F714-S718 WeakPolarHBondContact O-CB 3.24Å; F714-S718 PolarHBondContact O-N 2.98Å; F714-S718 PolarHBondContact O-OG 3.27Å; A715-S718 PolarHBondContact O-N 2.87Å; K716-S718 VanDerWaalsContact C-N 3.31Å; K716-S718 PolarHBondContact O-N 3.45Å; S718-S722 WeakPolarHBondContact O-CA 3.3Å; S718-S722 VanDerWaalsContact O-CB 3.24Å; S718-S722 WeakPolarHBondContact O-CB 3.35Å; S718-S722 PolarHBondContact O-N 3.07Å; S718-S722 PolarHBondContact O-OG 3.25Å
719	L	89.6	Confident	86.1	Confident	46 Å²	46	40 Å²	40	24%	0.241	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-41.5	179.4	-73	170.5	0	0	0	114.1	I290 P293 L296 A715 K716 M717 Y721 S722	I290-L719 HydrophobicContact CG1-CG 4.49Å; I290-L719 HydrophobicContact CG2-CD2 4.01Å; I290-L719 HydrophobicContact CG2-CG 4.39Å; P293-L719 HydrophobicContact CB-CD1 4.44Å; P293-L719 HydrophobicContact CG-CD1 4.46Å; L296-L719 HydrophobicContact CD2-CD1 3.57Å; A715-L719 WeakPolarHBondContact O-CG 3.18Å; A715-L719 PolarHBondContact O-N 3.36Å; K716-L719 PolarHBondContact O-N 3.42Å; M717-L719 PolarHBondContact O-N 3.46Å; L719-Y721 VanDerWaalsContact C-N 3.34Å; L719-S722 PolarHBondContact O-N 3.31Å
720	T	85.4	Confident	86.1	Confident	56 Å²	56	40.1 Å²	40.1	34%	0.344	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-41.7	-178.9	-75.3	0	0	0	0	110.8	F255 K716 M717	F255-T720 HydrophobicContact CE1-CG2 4.13Å; F255-T720 HydrophobicContact CZ-CG2 4.14Å; K716-T720 WeakPolarHBondContact CE-OG1 3.37Å; K716-T720 VanDerWaalsContact O-CB 3.28Å; K716-T720 WeakPolarHBondContact O-CB 3.33Å; K716-T720 PolarHBondContact O-N 2.78Å; K716-T720 PolarHBondContact O-OG1 2.92Å; M717-T720 PolarHBondContact O-N 3.27Å
721	Y	78	Confident	86	Confident	29 Å²	29	44.6 Å²	44.6	11%	0.114	22%	0.221	C	C	.	.	H	α-helix	trans	-78.3	-30.1	174.5	-68.5	-66.5	0	0	0	112.1	A252 F255 M717 L719 L723 R724 N725 F727 I744	A252-Y721 PolarHBondContact O-OH 3.21Å; A252-Y721 VanDerWaalsContact O-OH 3.08Å; F255-Y721 HydrophobicContact CE2-CE2 4.07Å; F255-Y721 HydrophobicContact CZ-CE2 4.21Å; M717-Y721 HydrophobicContact CG-CD2 3.69Å; M717-Y721 HydrophobicContact CG-CE2 3.78Å; M717-Y721 WeakPolarHBondContact O-CD2 3.2Å; M717-Y721 PolarHBondContact O-N 3.49Å; L719-Y721 VanDerWaalsContact C-N 3.34Å; Y721-L723 PolarHBondContact O-N 3Å; Y721-R724 PolarHBondContact O-N 3.25Å; Y721-N725 VanDerWaalsContact O-CB 3.25Å; Y721-N725 WeakPolarHBondContact O-CB 3.31Å; Y721-N725 PolarHBondContact O-N 3.07Å; Y721-F727 HydrophobicContact CD2-CE2 4.16Å; Y721-F727 AromaticContact CD2-CZ 3.82Å; Y721-F727 HydrophobicContact CD2-CZ 3.82Å; Y721-F727 AromaticContact CG-CE2 3.95Å; Y721-F727 HydrophobicContact CG-CE2 3.95Å; Y721-F727 HydrophobicContact CG-CZ 4.08Å; Y721-I744 HydrophobicContact CD2-CD1 4.46Å; Y721-I744 HydrophobicContact CE2-CD1 4.16Å; Y721-I744 HydrophobicContact CE2-CG1 4.32Å
722	S	67.9	Low	85.9	Confident	56 Å²	56	46.1 Å²	46.1	39%	0.392	23%	0.228	S	C	.	.	H	α-helix	trans	-47.4	-38.5	-177	-82.8	0	0	0	0	115.4	S718 L719 R724 N725	S718-S722 WeakPolarHBondContact O-CA 3.3Å; S718-S722 VanDerWaalsContact O-CB 3.24Å; S718-S722 WeakPolarHBondContact O-CB 3.35Å; S718-S722 PolarHBondContact O-N 3.07Å; S718-S722 PolarHBondContact O-OG 3.25Å; L719-S722 PolarHBondContact O-N 3.31Å; S722-R724 PolarHBondContact O-N 3.04Å; S722-R724 VanDerWaalsContact O-N 3.1Å; S722-N725 WeakPolarHBondContact CA-O 3.12Å; S722-N725 PolarHBondContact O-N 3.25Å; S722-N725 VanDerWaalsContact O-N 3.16Å
723	L	57.6	Low	85.8	Confident	163 Å²	163	48.2 Å²	48.2	85%	0.853	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.4	178.5	-69.9	164.6	0	0	0	113.9	Y721	Y721-L723 PolarHBondContact O-N 3Å
724	R	57.6	Low	85.6	Confident	166 Å²	166	54 Å²	54	63%	0.626	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-14.4	176.2	-61.5	-175.5	178.5	-167.4	-3.9	112.8	Y721 S722 K751 L753	Y721-R724 PolarHBondContact O-N 3.25Å; S722-R724 PolarHBondContact O-N 3.04Å; S722-R724 VanDerWaalsContact O-N 3.1Å; R724-K751 PolarHBondContact NH1-O 3.48Å; R724-L753 HydrophobicContact CB-CD2 4.3Å
725	N	60.6	Low	85.5	Confident	11 Å²	11	57 Å²	57	6%	0.059	29%	0.289	C	S	.	.	S	Bend	trans	-153.2	126.6	-154.8	-83	-33.1	0	0	0	114.1	Y721 S722 F727 R742 L753	Y721-N725 VanDerWaalsContact O-CB 3.25Å; Y721-N725 WeakPolarHBondContact O-CB 3.31Å; Y721-N725 PolarHBondContact O-N 3.07Å; S722-N725 WeakPolarHBondContact CA-O 3.12Å; S722-N725 PolarHBondContact O-N 3.25Å; S722-N725 VanDerWaalsContact O-N 3.16Å; N725-F727 HydrophobicContact CB-CD2 4.36Å; N725-F727 HydrophobicContact CB-CE2 4.31Å; N725-F727 PolarHBondContact O-N 3.37Å; N725-R742 VanDerWaalsContact CB-NH2 3.27Å; N725-R742 PolarHBondContact ND2-NH1 3.16Å; N725-R742 PolarHBondContact OD1-NE 2.82Å; N725-R742 PolarHBondContact OD1-NH1 3.11Å; N725-L753 WeakPolarHBondContact OD1-CD2 3.41Å
726	H	75.6	Confident	85.5	Confident	153 Å²	153	57 Å²	57	71%	0.708	29%	0.289	S	S	*	.			trans	-68	120.6	169.6	-65.4	88.6	0	0	0	110.3	R742 A800	H726-R742 PolarHBondContact O-NH2 3.31Å; H726-A800 PolarHBondContact O-N 2.95Å
727	F	91.4	Very high	85.6	Confident	25 Å²	25	54.2 Å²	54.2	11%	0.11	28%	0.28	C	S	.	.			trans	-105.8	132.1	166.5	-91.8	-114.2	0	0	0	107.9	M717 Y721 N725 I744 F797 V798 P799	M717-F727 HydrophobicContact CE-CE1 4.09Å; M717-F727 HydrophobicContact CG-CE1 4.31Å; M717-F727 HydrophobicContact SD-CE1 4.45Å; Y721-F727 HydrophobicContact CD2-CE2 4.16Å; Y721-F727 AromaticContact CD2-CZ 3.82Å; Y721-F727 HydrophobicContact CD2-CZ 3.82Å; Y721-F727 AromaticContact CG-CE2 3.95Å; Y721-F727 HydrophobicContact CG-CE2 3.95Å; Y721-F727 HydrophobicContact CG-CZ 4.08Å; N725-F727 HydrophobicContact CB-CD2 4.36Å; N725-F727 HydrophobicContact CB-CE2 4.31Å; N725-F727 PolarHBondContact O-N 3.37Å; F727-I744 HydrophobicContact CE1-CD1 4.39Å; F727-I744 HydrophobicContact CZ-CD1 3.96Å; F727-F797 HydrophobicContact CB-CB 4.4Å; F727-F797 HydrophobicContact CD1-CB 4.16Å; F727-V798 VanDerWaalsContact CA-O 3.31Å; F727-V798 WeakPolarHBondContact CA-O 3.5Å; F727-P799 HydrophobicContact CE1-CB 4.37Å; F727-P799 HydrophobicContact CE2-CB 3.92Å; F727-P799 HydrophobicContact CZ-CB 3.87Å
728	V	93.2	Very high	85.8	Confident	35 Å²	35	54.4 Å²	54.4	21%	0.212	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-121.6	148.8	-177.9	70.2	0	0	0	0	110.5	P730 F797 V798 A800	V728-P730 WeakPolarHBondContact O-CD 3.24Å; V728-F797 WeakPolarHBondContact O-CA 3.25Å; V728-F797 WeakPolarHBondContact O-CB 3.47Å; V728-V798 HydrophobicContact CG1-CG2 3.87Å; V728-V798 PolarHBondContact N-O 2.83Å; V728-V798 PolarHBondContact O-N 2.71Å; V728-A800 WeakPolarHBondContact CB-O 3.26Å; V728-A800 HydrophobicContact CG1-CB 4.17Å; V728-A800 VanDerWaalsContact CG1-O 3.26Å; V728-A800 WeakPolarHBondContact CG1-O 3.46Å
729	C	95.5	Very high	85.9	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.155	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-75.6	117.2	169.8	-168.5	0	0	0	0	108.9	R287 F797	R287-C729 PolarHBondContact NH2-SG 2.89Å; C729-F797 HydrophobicContact CB-CD1 4.13Å; C729-F797 HydrophobicContact CB-CD2 4.28Å; C729-F797 HydrophobicContact CB-CE1 3.78Å; C729-F797 HydrophobicContact CB-CE2 3.93Å; C729-F797 HydrophobicContact CB-CG 4.38Å; C729-F797 HydrophobicContact CB-CZ 3.67Å
730	P	96.4	Very high	86	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.013	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-76.2	144.6	-175.2	29.7	-32.7	0	0	0	111.9	Q283 V728 A792 V798 T803 V805	Q283-P730 PolarHBondContact NE2-O 3.17Å; V728-P730 WeakPolarHBondContact O-CD 3.24Å; P730-A792 HydrophobicContact CB-CB 3.95Å; P730-A792 HydrophobicContact CG-CB 3.58Å; P730-V798 HydrophobicContact CB-CG1 4.42Å; P730-V798 HydrophobicContact CB-CG2 4.02Å; P730-V798 HydrophobicContact CG-CG1 3.99Å; P730-V798 HydrophobicContact CG-CG2 4.25Å; P730-T803 WeakPolarHBondContact CA-O 3.45Å; P730-T803 HydrophobicContact CB-CG2 3.78Å; P730-V805 HydrophobicContact CB-CG2 4.45Å
731	I	96	Very high	86.3	Confident	97 Å²	97	56.6 Å²	56.6	50%	0.497	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.7	-179.8	-58.2	169.9	0	0	0	110.1	S733 F802 T803 S804 V805	I731-S733 PolarHBondContact O-N 3.02Å; I731-F802 HydrophobicContact CD1-CE2 4.02Å; I731-T803 PolarHBondContact N-O 3.14Å; I731-S804 CarbonylContact O-C 3.56Å; I731-S804 WeakPolarHBondContact O-CA 3.25Å; I731-S804 PolarHBondContact O-OG 3.46Å; I731-V805 PolarHBondContact O-N 3.42Å
732	F	95.9	Very high	86.9	Confident	35 Å²	35	56.1 Å²	56.1	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.2	176.5	-72.9	-91	0	0	0	111.3	L276 I279 A792 Q793 V805 L807	L276-F732 HydrophobicContact CD1-CB 3.69Å; L276-F732 HydrophobicContact CD1-CD1 4.23Å; L276-F732 HydrophobicContact CD1-CD2 3.76Å; L276-F732 HydrophobicContact CD1-CE2 4.5Å; L276-F732 HydrophobicContact CD1-CG 3.6Å; I279-F732 HydrophobicContact CB-CE2 4.48Å; I279-F732 HydrophobicContact CD1-CE1 4.26Å; I279-F732 HydrophobicContact CD1-CZ 4.05Å; I279-F732 HydrophobicContact CG2-CE2 3.49Å; I279-F732 VanDerWaalsContact CG2-CE2 3.49Å; I279-F732 HydrophobicContact CG2-CZ 3.62Å; F732-A792 HydrophobicContact CZ-CB 4.23Å; F732-A792 WeakPolarHBondContact CZ-O 3.3Å; F732-Q793 HydrophobicContact CE1-CG 4.17Å; F732-V805 CarbonylContact C-O 3.52Å; F732-V805 VanDerWaalsContact CA-O 3.31Å; F732-V805 WeakPolarHBondContact CA-O 3.48Å; F732-V805 HydrophobicContact CD1-CG2 3.83Å; F732-V805 HydrophobicContact CE1-CG2 3.66Å; F732-V805 HydrophobicContact CE2-CG2 4.5Å; F732-V805 HydrophobicContact CG-CG2 4.33Å; F732-V805 HydrophobicContact CZ-CG2 4.01Å; F732-L807 HydrophobicContact CD1-CB 4.3Å; F732-L807 HydrophobicContact CD1-CD1 4.19Å; F732-L807 HydrophobicContact CE1-CD1 3.96Å
733	S	93.4	Very high	88	Confident	43 Å²	43	53.6 Å²	53.6	30%	0.301	27%	0.267	S	S	.	.			trans	-142	-172.2	177.5	84.9	0	0	0	0	111	I731 I735 S804 V805 R806	I731-S733 PolarHBondContact O-N 3.02Å; S733-I735 VanDerWaalsContact C-N 3.25Å; S733-I735 PolarHBondContact OG-N 2.89Å; S733-I735 PolarHBondContact OG-O 2.54Å; S733-S804 VanDerWaalsContact CB-OG 3.3Å; S733-S804 WeakPolarHBondContact CB-OG 3.19Å; S733-S804 PolarHBondContact OG-OG 3.21Å; S733-V805 PolarHBondContact N-O 3.02Å; S733-R806 WeakPolarHBondContact O-CA 3.47Å
734	N	93	Very high	89.5	Confident	122 Å²	122	46 Å²	46	65%	0.652	23%	0.227	S	C	*	.	S	Bend	trans	-84.7	2.1	172.8	-73.8	-30	0	0	0	113.6	P763	N734-P763 WeakPolarHBondContact O-CD 3.19Å
735	I	94.5	Very high	91	Very high	63 Å²	63	38.4 Å²	38.4	32%	0.323	20%	0.199	S	C	.	.	S	Bend	trans	-119.8	141.9	-173.5	-59.4	173.1	0	0	0	108.1	S733 Y760 A761 S804 V805	S733-I735 VanDerWaalsContact C-N 3.25Å; S733-I735 PolarHBondContact OG-N 2.89Å; S733-I735 PolarHBondContact OG-O 2.54Å; I735-Y760 HydrophobicContact CG2-CD2 4.24Å; I735-Y760 HydrophobicContact CG2-CE2 3.66Å; I735-A761 VanDerWaalsContact CG2-O 3.3Å; I735-A761 WeakPolarHBondContact CG2-O 3.48Å; I735-S804 CarbonylContact O-C 3.58Å; I735-V805 CarbonylContact O-C 3.44Å
736	L	96.6	Very high	92	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.1	166	177.2	64.4	0	0	0	107.7	I738 T759 Y760 A761 I785 S804 V805 F879 F881	L736-I738 HydrophobicContact CD1-CD1 4.03Å; L736-I738 HydrophobicContact CD1-CG1 4.02Å; L736-T759 HydrophobicContact CD2-CG2 4.17Å; L736-T759 HydrophobicContact CG-CG2 4.47Å; L736-Y760 CarbonylContact O-C 3.51Å; L736-Y760 VanDerWaalsContact O-CA 3.28Å; L736-Y760 WeakPolarHBondContact O-CA 3.32Å; L736-A761 HydrophobicContact CB-CB 4.15Å; L736-A761 HydrophobicContact CD2-CB 4.45Å; L736-A761 PolarHBondContact N-O 3.45Å; L736-A761 PolarHBondContact O-N 3.36Å; L736-I785 HydrophobicContact CD2-CG2 4.08Å; L736-S804 CarbonylContact C-O 3.54Å; L736-S804 WeakPolarHBondContact CA-O 3.41Å; L736-V805 HydrophobicContact CD1-CB 4.43Å; L736-V805 HydrophobicContact CD1-CG1 3.81Å; L736-F879 HydrophobicContact CB-CD2 3.98Å; L736-F879 HydrophobicContact CB-CE2 3.77Å; L736-F879 HydrophobicContact CD2-CD2 4.41Å; L736-F881 HydrophobicContact CD2-CE2 4Å; L736-F881 HydrophobicContact CD2-CZ 3.79Å
737	G	96.2	Very high	92.1	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	103.9	179.8	0	0	0	0	0	110.1	T759 T803 S804	G737-T759 CarbonylContact C-O 3.59Å; G737-T759 WeakPolarHBondContact CA-O 3.32Å; G737-T803 CarbonylContact O-C 3.57Å; G737-T803 VanDerWaalsContact O-CA 3.26Å; G737-T803 WeakPolarHBondContact O-CA 3.44Å; G737-S804 PolarHBondContact N-O 3.23Å; G737-S804 PolarHBondContact O-N 2.64Å
738	I	96.1	Very high	91.2	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.4	-179.5	-51	172.7	0	0	0	107.8	L736 H758 T759 I788 A800 T803	L736-I738 HydrophobicContact CD1-CD1 4.03Å; L736-I738 HydrophobicContact CD1-CG1 4.02Å; I738-H758 CarbonylContact O-C 3.58Å; I738-H758 VanDerWaalsContact O-CA 3.29Å; I738-H758 WeakPolarHBondContact O-CA 3.49Å; I738-T759 HydrophobicContact CD1-CG2 4.44Å; I738-T759 PolarHBondContact N-O 3.21Å; I738-T759 PolarHBondContact O-N 2.95Å; I738-I788 HydrophobicContact CD1-CB 4.29Å; I738-I788 HydrophobicContact CD1-CD1 4.03Å; I738-I788 HydrophobicContact CD1-CG2 3.99Å; I738-I788 HydrophobicContact CG1-CG2 4.37Å; I738-I788 HydrophobicContact CG2-CD1 3.73Å; I738-A800 HydrophobicContact CG2-CB 4.06Å; I738-T803 HydrophobicContact CG1-CG2 4.41Å
739	K	93.8	Very high	89.9	Confident	92 Å²	92	37.3 Å²	37.3	40%	0.4	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.3	173.3	-170.4	-174.4	-179.9	-169.5	0	109.2	G741 E801 F802	K739-G741 PolarHBondContact O-N 2.98Å; K739-E801 HydrophobicContact CB-CB 4.46Å; K739-E801 HydrophobicContact CD-CB 4.37Å; K739-E801 HydrophobicContact CD-CG 4.28Å; K739-E801 WeakPolarHBondContact CD-OE2 3.3Å; K739-E801 VanDerWaalsContact CE-CD 3.46Å; K739-E801 VanDerWaalsContact CE-OE1 3.24Å; K739-E801 WeakPolarHBondContact CE-OE1 3.46Å; K739-E801 WeakPolarHBondContact CE-OE2 3.46Å; K739-E801 HydrophobicContact CG-CB 4.39Å; K739-E801 IonicContact NZ-OE1 2.62Å; K739-E801 PolarHBondContact NZ-OE1 2.86Å; K739-E801 IonicContact NZ-OE2 3.4Å; K739-E801 PolarHBondContact O-N 3.29Å; K739-F802 HydrophobicContact CB-CB 3.83Å; K739-F802 HydrophobicContact CD-CB 4.4Å; K739-F802 PolarHBondContact N-O 3.02Å
740	N	91.4	Very high	88.4	Confident	56 Å²	56	42.1 Å²	42.1	30%	0.299	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.8	44.7	178.9	-70.3	-31.3	0	0	0	112.5	A756 H758 E801	N740-A756 HydrophobicContact CB-CB 3.96Å; N740-H758 PolarHBondContact N-ND1 2.83Å; N740-H758 PolarHBondContact OD1-CE1 3.33Å; N740-H758 PolarHBondContact OD1-NE2 2.93Å; N740-E801 HydrophobicContact CB-CB 4.19Å; N740-E801 PolarHBondContact ND2-OE2 3.31Å
741	G	92.6	Very high	86.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	147.5	175.2	0	0	0	0	0	110.6	K739 A756 N757 Q784 P799	K739-G741 PolarHBondContact O-N 2.98Å; G741-A756 CarbonylContact O-C 3.59Å; G741-A756 VanDerWaalsContact O-CA 3.26Å; G741-A756 WeakPolarHBondContact O-CA 3.37Å; G741-N757 PolarHBondContact N-O 3.13Å; G741-N757 PolarHBondContact O-N 3.48Å; G741-Q784 PolarHBondContact O-NE2 3.27Å; G741-P799 WeakPolarHBondContact CA-O 3.4Å
742	R	90.6	Very high	85.1	Confident	19 Å²	19	47.2 Å²	47.2	7%	0.072	24%	0.235	C	C	.	.			trans	-129	156.6	-179.1	-69.9	172.8	-66.9	99.5	0.6	111.2	N725 H726 D747 A756 P799	N725-R742 VanDerWaalsContact CB-NH2 3.27Å; N725-R742 PolarHBondContact ND2-NH1 3.16Å; N725-R742 PolarHBondContact OD1-NE 2.82Å; N725-R742 PolarHBondContact OD1-NH1 3.11Å; H726-R742 PolarHBondContact O-NH2 3.31Å; R742-D747 IonicContact CZ-OD2 2.8Å; R742-D747 IonicContact NH1-OD2 3.24Å; R742-D747 PolarHBondContact NH1-OD2 2.94Å; R742-A756 HydrophobicContact CG-CB 3.73Å; R742-P799 HydrophobicContact CB-CB 4.47Å; R742-P799 PolarHBondContact N-O 3.47Å; R742-P799 WeakPolarHBondContact O-CG 3.44Å
743	N	91	Very high	83.3	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	25%	0.248	C	C	.	.			trans	-92.1	107.5	178	-173	-33.8	0	0	0	109.8	V745 T746 D747 S754 T780 Q784 Y787	N743-V745 VanDerWaalsContact C-N 3.25Å; N743-V745 PolarHBondContact O-N 3.25Å; N743-V745 PolarHBondContact OD1-N 3.35Å; N743-V745 VanDerWaalsContact OD1-N 3.17Å; N743-T746 WeakPolarHBondContact CB-OG1 3.41Å; N743-T746 PolarHBondContact O-N 3.05Å; N743-T746 PolarHBondContact O-OG1 2.95Å; N743-D747 PolarHBondContact O-N 3.5Å; N743-D747 VanDerWaalsContact O-N 3.15Å; N743-S754 PolarHBondContact N-OG 3.23Å; N743-T780 HydrophobicContact CB-CG2 4.08Å; N743-T780 PolarHBondContact ND2-O 2.89Å; N743-Q784 HydrophobicContact CB-CB 4.09Å; N743-Q784 HydrophobicContact CB-CG 4.49Å; N743-Y787 WeakPolarHBondContact OD1-CD2 3.36Å; N743-Y787 WeakPolarHBondContact OD1-CE2 3.44Å
744	I	88.9	Confident	82.3	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-31.9	-174.5	-165.9	161.8	0	0	0	114	L249 A252 I253 M717 Y721 F727 D747 E748 Y787 L791 P799	L249-I744 HydrophobicContact CD1-CG2 3.53Å; A252-I744 HydrophobicContact CB-CG1 4.46Å; I253-I744 HydrophobicContact CG2-CD1 3.72Å; I253-I744 HydrophobicContact CG2-CG1 4.5Å; M717-I744 HydrophobicContact CG-CD1 4.41Å; M717-I744 HydrophobicContact SD-CD1 3.71Å; Y721-I744 HydrophobicContact CD2-CD1 4.46Å; Y721-I744 HydrophobicContact CE2-CD1 4.16Å; Y721-I744 HydrophobicContact CE2-CG1 4.32Å; F727-I744 HydrophobicContact CE1-CD1 4.39Å; F727-I744 HydrophobicContact CZ-CD1 3.96Å; I744-D747 PolarHBondContact O-N 3.02Å; I744-E748 PolarHBondContact O-N 3.5Å; I744-Y787 HydrophobicContact CG2-CD2 4.36Å; I744-L791 HydrophobicContact CD1-CD1 4.29Å; I744-L791 HydrophobicContact CG2-CD1 4.48Å; I744-P799 HydrophobicContact CB-CG 4.34Å
745	V	88.1	Confident	81.8	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-71	-44.3	-179	177.5	0	0	0	0	110.1	L249 A252 N743 D747 E748 E749 Y787	L249-V745 HydrophobicContact CB-CG2 4.42Å; L249-V745 HydrophobicContact CD1-CG2 4.36Å; A252-V745 HydrophobicContact CB-CG2 4.12Å; N743-V745 VanDerWaalsContact C-N 3.25Å; N743-V745 PolarHBondContact O-N 3.25Å; N743-V745 PolarHBondContact OD1-N 3.35Å; N743-V745 VanDerWaalsContact OD1-N 3.17Å; V745-D747 VanDerWaalsContact C-N 3.29Å; V745-D747 PolarHBondContact O-N 2.89Å; V745-E748 PolarHBondContact O-N 2.86Å; V745-E749 WeakPolarHBondContact CG1-OE1 3.39Å; V745-E749 WeakPolarHBondContact O-CG 3.43Å; V745-E749 PolarHBondContact O-N 3.22Å; V745-E749 VanDerWaalsContact O-N 3.12Å; V745-Y787 HydrophobicContact CB-CE2 4.05Å; V745-Y787 HydrophobicContact CG2-CD2 4.08Å; V745-Y787 HydrophobicContact CG2-CE2 3.47Å; V745-Y787 VanDerWaalsContact CG2-CE2 3.47Å
746	T	81.8	Confident	81.5	Confident	24 Å²	24	43.3 Å²	43.3	15%	0.147	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-29.7	177.8	52.3	0	0	0	0	113.1	N743 E748 K750 S754 T780	N743-T746 WeakPolarHBondContact CB-OG1 3.41Å; N743-T746 PolarHBondContact O-N 3.05Å; N743-T746 PolarHBondContact O-OG1 2.95Å; T746-E748 VanDerWaalsContact C-N 3.34Å; T746-K750 PolarHBondContact O-N 3.08Å; T746-K750 VanDerWaalsContact O-N 3.13Å; T746-S754 WeakPolarHBondContact OG1-CB 3.47Å; T746-T780 HydrophobicContact CG2-CG2 3.89Å
747	D	77.7	Confident	81.3	Confident	12 Å²	12	43.6 Å²	43.6	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-37.4	175.1	-74.5	-2.2	0	0	0	111.4	R742 N743 I744 V745 K751 S754	R742-D747 IonicContact CZ-OD2 2.8Å; R742-D747 IonicContact NH1-OD2 3.24Å; R742-D747 PolarHBondContact NH1-OD2 2.94Å; N743-D747 PolarHBondContact O-N 3.5Å; N743-D747 VanDerWaalsContact O-N 3.15Å; I744-D747 PolarHBondContact O-N 3.02Å; V745-D747 VanDerWaalsContact C-N 3.29Å; V745-D747 PolarHBondContact O-N 2.89Å; D747-K751 PolarHBondContact O-N 3.18Å; D747-S754 WeakPolarHBondContact OD1-CB 3.44Å; D747-S754 PolarHBondContact OD1-N 3.44Å; D747-S754 PolarHBondContact OD1-OG 3.19Å
748	E	71.6	Confident	81.2	Confident	75 Å²	75	47.7 Å²	47.7	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-68.5	-48.5	176	-167.2	-165	-169.7	0	0	111.4	A252 I744 V745 T746	A252-E748 WeakPolarHBondContact CA-OE2 3.24Å; A252-E748 HydrophobicContact CB-CB 4.37Å; A252-E748 VanDerWaalsContact CB-OE2 3.26Å; A252-E748 WeakPolarHBondContact CB-OE2 3.43Å; A252-E748 PolarHBondContact N-OE2 3.14Å; I744-E748 PolarHBondContact O-N 3.5Å; V745-E748 PolarHBondContact O-N 2.86Å; T746-E748 VanDerWaalsContact C-N 3.34Å
749	E	66.5	Low	81.1	Confident	91 Å²	91	47.7 Å²	47.7	43%	0.425	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-52.1	-175.9	-73.7	173.2	-169.5	0	0	112.7	D247 V745 K751	D247-E749 VanDerWaalsContact CB-OE1 3.23Å; D247-E749 WeakPolarHBondContact CB-OE1 3.42Å; V745-E749 WeakPolarHBondContact CG1-OE1 3.39Å; V745-E749 WeakPolarHBondContact O-CG 3.43Å; V745-E749 PolarHBondContact O-N 3.22Å; V745-E749 VanDerWaalsContact O-N 3.12Å; E749-K751 VanDerWaalsContact C-N 3.32Å; E749-K751 PolarHBondContact O-N 2.88Å
750	K	64.7	Low	81.2	Confident	123 Å²	123	47.7 Å²	47.7	54%	0.535	24%	0.237	S	C	.	.	H	α-helix	trans	-81.8	-13.8	-173	-65.3	-173.8	176.4	-175.1	0	113.1	T746 S752	T746-K750 PolarHBondContact O-N 3.08Å; T746-K750 VanDerWaalsContact O-N 3.13Å; K750-S752 WeakPolarHBondContact CB-OG 3.22Å; K750-S752 PolarHBondContact O-N 2.91Å
751	K	62.5	Low	81.4	Confident	165 Å²	165	45 Å²	45	72%	0.717	22%	0.223	S	C	*	.	S	Bend	trans	51.1	12.5	-165.6	-58.6	-178.8	-179.4	176.9	0	113.6	R724 D747 E749	R724-K751 PolarHBondContact NH1-O 3.48Å; D747-K751 PolarHBondContact O-N 3.18Å; E749-K751 VanDerWaalsContact C-N 3.32Å; E749-K751 PolarHBondContact O-N 2.88Å
752	S	59.7	Low	81.5	Confident	41 Å²	41	45.5 Å²	45.5	29%	0.287	23%	0.226	S	C	.	.	S	Bend	trans	-120.9	154.3	177.3	70	0	0	0	0	109	K750 S754	K750-S752 WeakPolarHBondContact CB-OG 3.22Å; K750-S752 PolarHBondContact O-N 2.91Å; S752-S754 PolarHBondContact O-N 2.94Å
753	L	58.8	Low	81.5	Confident	79 Å²	79	47 Å²	47	41%	0.414	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-71.1	122.2	-174.3	-65	177.2	0	0	0	110.6	R724 N725	R724-L753 HydrophobicContact CB-CD2 4.3Å; N725-L753 WeakPolarHBondContact OD1-CD2 3.41Å
754	S	73.1	Confident	81.4	Confident	23 Å²	23	50.2 Å²	50.2	16%	0.161	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-62	146.5	167.5	60	0	0	0	0	110.7	N743 T746 D747 S752 A756	N743-S754 PolarHBondContact N-OG 3.23Å; T746-S754 WeakPolarHBondContact OG1-CB 3.47Å; D747-S754 WeakPolarHBondContact OD1-CB 3.44Å; D747-S754 PolarHBondContact OD1-N 3.44Å; D747-S754 PolarHBondContact OD1-OG 3.19Å; S752-S754 PolarHBondContact O-N 2.94Å; S754-A756 PolarHBondContact O-N 2.68Å; S754-A756 VanDerWaalsContact O-N 3.16Å
755	V	81.9	Confident	81.6	Confident	48 Å²	48	51.7 Å²	51.7	29%	0.291	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-63.6	118.7	177.7	177.6	0	0	0	0	109.1	N757 Y984 K985	V755-N757 PolarHBondContact O-ND2 3.25Å; V755-Y984 HydrophobicContact CG2-CD2 4.24Å; V755-K985 HydrophobicContact CG1-CB 4.48Å
756	A	88.2	Confident	81.9	Confident	31 Å²	31	51.4 Å²	51.4	26%	0.256	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-72.8	138.3	-178.7	0	0	0	0	0	111.1	N740 G741 R742 S754	N740-A756 HydrophobicContact CB-CB 3.96Å; G741-A756 CarbonylContact O-C 3.59Å; G741-A756 VanDerWaalsContact O-CA 3.26Å; G741-A756 WeakPolarHBondContact O-CA 3.37Å; R742-A756 HydrophobicContact CG-CB 3.73Å; S754-A756 PolarHBondContact O-N 2.68Å; S754-A756 VanDerWaalsContact O-N 3.16Å
757	N	92	Very high	82.6	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.043	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.4	-179.3	-76.1	-68.1	0	0	0	111.9	G741 V755 Y781 Q784 Y984 L986	G741-N757 PolarHBondContact N-O 3.13Å; G741-N757 PolarHBondContact O-N 3.48Å; V755-N757 PolarHBondContact O-ND2 3.25Å; N757-Y781 HydrophobicContact CB-CD2 3.76Å; N757-Y781 HydrophobicContact CB-CE2 3.68Å; N757-Q784 PolarHBondContact O-NE2 3.4Å; N757-Y984 PolarHBondContact ND2-O 3.17Å; N757-Y984 VanDerWaalsContact ND2-O 3.09Å; N757-Y984 PolarHBondContact OD1-O 3.02Å; N757-L986 WeakPolarHBondContact OD1-CB 3.1Å; N757-L986 PolarHBondContact OD1-N 3.03Å
758	H	93.6	Very high	83.5	Confident	97 Å²	97	50 Å²	50	45%	0.449	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.3	172.2	-53.8	-73.7	0	0	0	110.6	I738 N740 Y781	I738-H758 CarbonylContact O-C 3.58Å; I738-H758 VanDerWaalsContact O-CA 3.29Å; I738-H758 WeakPolarHBondContact O-CA 3.49Å; N740-H758 PolarHBondContact N-ND1 2.83Å; N740-H758 PolarHBondContact OD1-CE1 3.33Å; N740-H758 PolarHBondContact OD1-NE2 2.93Å; H758-Y781 PolarHBondContact O-OH 3.03Å; H758-Y781 VanDerWaalsContact O-OH 3.07Å
759	T	95.6	Very high	84.7	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	130.1	171.1	-54.1	0	0	0	0	108.1	L736 G737 I738 Y781 I785 F881	L736-T759 HydrophobicContact CD2-CG2 4.17Å; L736-T759 HydrophobicContact CG-CG2 4.47Å; G737-T759 CarbonylContact C-O 3.59Å; G737-T759 WeakPolarHBondContact CA-O 3.32Å; I738-T759 HydrophobicContact CD1-CG2 4.44Å; I738-T759 PolarHBondContact N-O 3.21Å; I738-T759 PolarHBondContact O-N 2.95Å; T759-Y781 PolarHBondContact OG1-OH 3.01Å; T759-I785 HydrophobicContact CG2-CD1 3.77Å; T759-I785 HydrophobicContact CG2-CG1 4.02Å; T759-F881 HydrophobicContact CG2-CE1 3.7Å; T759-F881 HydrophobicContact CG2-CZ 3.8Å
760	Y	95.8	Very high	86	Confident	92 Å²	92	42.1 Å²	42.1	36%	0.361	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.3	172.5	179.9	-97.2	0	0	0	108.2	I735 L736 L765 H768	I735-Y760 HydrophobicContact CG2-CD2 4.24Å; I735-Y760 HydrophobicContact CG2-CE2 3.66Å; L736-Y760 CarbonylContact O-C 3.51Å; L736-Y760 VanDerWaalsContact O-CA 3.28Å; L736-Y760 WeakPolarHBondContact O-CA 3.32Å; Y760-L765 HydrophobicContact CE1-CD1 4.09Å; Y760-H768 PolarHBondContact O-NE2 2.85Å
761	A	95.4	Very high	87.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	140.5	169.8	0	0	0	0	0	109.3	I735 L736 L765 H768 F879 F881	I735-A761 VanDerWaalsContact CG2-O 3.3Å; I735-A761 WeakPolarHBondContact CG2-O 3.48Å; L736-A761 HydrophobicContact CB-CB 4.15Å; L736-A761 HydrophobicContact CD2-CB 4.45Å; L736-A761 PolarHBondContact N-O 3.45Å; L736-A761 PolarHBondContact O-N 3.36Å; A761-L765 WeakPolarHBondContact CA-O 3.31Å; A761-H768 WeakPolarHBondContact CB-CE1 3.49Å; A761-F879 HydrophobicContact CB-CD1 4.24Å; A761-F879 HydrophobicContact CB-CD2 4.23Å; A761-F879 HydrophobicContact CB-CE1 4.48Å; A761-F879 HydrophobicContact CB-CE2 4.45Å; A761-F879 HydrophobicContact CB-CG 4.12Å; A761-F881 HydrophobicContact CB-CZ 3.86Å
762	S	94.1	Very high	88.4	Confident	10 Å²	10	28.4 Å²	28.4	7%	0.07	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-136.2	165.8	178.5	75.5	0	0	0	0	110.1	A764 L765 N766 F879	S762-A764 PolarHBondContact O-N 3.46Å; S762-A764 PolarHBondContact OG-N 3.02Å; S762-L765 PolarHBondContact N-O 3.23Å; S762-L765 CarbonylContact O-C 3.56Å; S762-L765 PolarHBondContact O-N 3.42Å; S762-L765 PolarHBondContact OG-N 3.17Å; S762-L765 VanDerWaalsContact OG-N 3.14Å; S762-N766 WeakPolarHBondContact O-CA 3.36Å; S762-N766 WeakPolarHBondContact O-CB 3.48Å; S762-N766 PolarHBondContact O-N 3.23Å; S762-F879 VanDerWaalsContact C-CE1 3.43Å; S762-F879 WeakPolarHBondContact O-CE1 3.45Å
763	P	89.8	Confident	89.5	Confident	50 Å²	50	26.8 Å²	26.8	33%	0.325	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.4	175.7	-24.9	35.7	0	0	0	114.5	N734	N734-P763 WeakPolarHBondContact O-CD 3.19Å
764	A	90.3	Very high	90.5	Very high	71 Å²	71	26 Å²	26	59%	0.587	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-20.6	174	0	0	0	0	0	113.4	S762 N898	S762-A764 PolarHBondContact O-N 3.46Å; S762-A764 PolarHBondContact OG-N 3.02Å; A764-N898 VanDerWaalsContact O-CA 3.25Å; A764-N898 WeakPolarHBondContact O-CA 3.39Å; A764-N898 WeakPolarHBondContact O-CB 3.3Å
765	L	93.3	Very high	90.8	Very high	33 Å²	33	31.7 Å²	31.7	17%	0.173	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-131	77.5	178	-70.8	169.2	0	0	0	107	Y760 A761 S762 H768	Y760-L765 HydrophobicContact CE1-CD1 4.09Å; A761-L765 WeakPolarHBondContact CA-O 3.31Å; S762-L765 PolarHBondContact N-O 3.23Å; S762-L765 CarbonylContact O-C 3.56Å; S762-L765 PolarHBondContact O-N 3.42Å; S762-L765 PolarHBondContact OG-N 3.17Å; S762-L765 VanDerWaalsContact OG-N 3.14Å; L765-H768 PolarHBondContact O-CE1 2.99Å; L765-H768 VanDerWaalsContact O-CE1 3.27Å
766	N	94.4	Very high	90.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.011	17%	0.167	C	C	.	.			trans	-108.4	-4.6	-166.2	72.7	-63.8	0	0	0	113	S762 H876 A878 F879 T880 N898	S762-N766 WeakPolarHBondContact O-CA 3.36Å; S762-N766 WeakPolarHBondContact O-CB 3.48Å; S762-N766 PolarHBondContact O-N 3.23Å; N766-H876 PolarHBondContact ND2-O 3.44Å; N766-A878 WeakPolarHBondContact CB-O 3.23Å; N766-A878 PolarHBondContact ND2-O 3.07Å; N766-F879 HydrophobicContact CB-CD1 3.99Å; N766-F879 HydrophobicContact CB-CE1 4.4Å; N766-F879 CarbonylContact O-C 3.58Å; N766-F879 WeakPolarHBondContact O-CA 3.41Å; N766-T880 PolarHBondContact O-N 3.25Å; N766-N898 PolarHBondContact N-O 3.49Å; N766-N898 PolarHBondContact OD1-ND2 3.28Å
767	F	96.7	Very high	90.8	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125	-178.3	-163.1	-77.3	0	0	0	110.8	V769 C870 L873 L874 T880 L882 N898 V899 E900	F767-V769 HydrophobicContact CD1-CG2 4.12Å; F767-V769 HydrophobicContact CE1-CG2 3.78Å; F767-C870 HydrophobicContact CE2-CB 4.43Å; F767-C870 HydrophobicContact CZ-CB 3.85Å; F767-L873 HydrophobicContact CD2-CB 4.45Å; F767-L873 HydrophobicContact CE2-CB 3.89Å; F767-L873 HydrophobicContact CE2-CD1 4.36Å; F767-L874 HydrophobicContact CB-CD2 3.39Å; F767-L874 HydrophobicContact CB-CG 4.37Å; F767-L874 HydrophobicContact CD1-CD2 4.3Å; F767-L874 HydrophobicContact CD2-CD2 3.73Å; F767-L874 HydrophobicContact CD2-CG 3.78Å; F767-L874 HydrophobicContact CE2-CG 4.22Å; F767-L874 HydrophobicContact CG-CD2 3.56Å; F767-L874 HydrophobicContact CG-CG 4.03Å; F767-T880 WeakPolarHBondContact CA-O 3.19Å; F767-T880 HydrophobicContact CD2-CG2 3.77Å; F767-T880 HydrophobicContact CE2-CG2 3.5Å; F767-T880 HydrophobicContact CZ-CG2 4.16Å; F767-L882 HydrophobicContact CE1-CB 4.4Å; F767-L882 HydrophobicContact CE1-CD2 4.47Å; F767-L882 HydrophobicContact CZ-CB 4.41Å; F767-L882 HydrophobicContact CZ-CD2 4.36Å; F767-N898 PolarHBondContact N-O 3.34Å; F767-V899 HydrophobicContact CB-CG2 4.15Å; F767-V899 HydrophobicContact CD1-CG1 4.23Å; F767-V899 HydrophobicContact CD1-CG2 4.13Å; F767-V899 HydrophobicContact CG-CG2 4.36Å; F767-V899 CarbonylContact O-C 3.27Å; F767-V899 VanDerWaalsContact O-CA 3.31Å; F767-V899 WeakPolarHBondContact O-CA 3.34Å; F767-E900 PolarHBondContact O-N 3.02Å
768	H	96.6	Very high	90.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.019	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.6	-174.8	-55.9	76.8	0	0	0	109.8	Y760 A761 L765 T880 F881 L882 E900 Y902	Y760-H768 PolarHBondContact O-NE2 2.85Å; A761-H768 WeakPolarHBondContact CB-CE1 3.49Å; L765-H768 PolarHBondContact O-CE1 2.99Å; L765-H768 VanDerWaalsContact O-CE1 3.27Å; H768-T880 PolarHBondContact N-O 3.09Å; H768-T880 PolarHBondContact ND1-O 3.16Å; H768-F881 HydrophobicContact CB-CD1 3.67Å; H768-F881 HydrophobicContact CB-CE1 4.08Å; H768-F881 HydrophobicContact CB-CG 4.46Å; H768-F881 AromaticContact CG-CD1 3.77Å; H768-F881 AromaticContact CG-CE1 3.65Å; H768-F881 AromaticContact ND1-CD1 3.8Å; H768-F881 AromaticContact ND1-CE1 3.47Å; H768-F881 WeakPolarHBondContact ND1-CE1 3.18Å; H768-F881 AromaticContact ND1-CZ 3.92Å; H768-L882 PolarHBondContact O-N 2.62Å; H768-E900 WeakPolarHBondContact CA-O 3.21Å; H768-Y902 AromaticContact CD2-CE2 3.74Å
769	V	95.6	Very high	90.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.3	173.1	-177.7	0	0	0	0	108.2	F767 T771 T884 T890 V899 E900 Y902	F767-V769 HydrophobicContact CD1-CG2 4.12Å; F767-V769 HydrophobicContact CE1-CG2 3.78Å; V769-T771 HydrophobicContact CG1-CG2 4.18Å; V769-T884 HydrophobicContact CG1-CG2 3.95Å; V769-T890 HydrophobicContact CG1-CG2 4.34Å; V769-V899 HydrophobicContact CG2-CG1 4.12Å; V769-E900 PolarHBondContact N-O 2.79Å; V769-Y902 PolarHBondContact O-N 2.77Å
770	I	94.7	Very high	90.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.3	-176.2	-60.5	152.8	0	0	0	108.2	Y781 L782 F881 L882 A883 T884 Y902 F904 L986	I770-Y781 HydrophobicContact CD1-CD1 3.88Å; I770-Y781 HydrophobicContact CD1-CE1 3.6Å; I770-Y781 HydrophobicContact CG1-CE1 4.4Å; I770-L782 HydrophobicContact CD1-CD2 3.97Å; I770-F881 HydrophobicContact CD1-CB 4.11Å; I770-F881 HydrophobicContact CD1-CD1 4.26Å; I770-L882 PolarHBondContact N-O 3.4Å; I770-A883 WeakPolarHBondContact O-CA 3.29Å; I770-T884 PolarHBondContact O-N 2.97Å; I770-Y902 WeakPolarHBondContact CA-O 3.44Å; I770-F904 HydrophobicContact CG2-CD2 4.15Å; I770-F904 HydrophobicContact CG2-CE2 3.69Å; I770-L986 HydrophobicContact CG2-CD1 3.85Å
771	T	91.4	Very high	90.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	157	-179.4	58.4	0	0	0	0	112.1	V769 T884 Y887 T890 Y902 Y903 F904	V769-T771 HydrophobicContact CG1-CG2 4.18Å; T771-T884 WeakPolarHBondContact CA-O 3.27Å; T771-T884 HydrophobicContact CG2-CG2 4.32Å; T771-Y887 HydrophobicContact CG2-CD1 4.2Å; T771-Y887 HydrophobicContact CG2-CE1 4.48Å; T771-T890 HydrophobicContact CG2-CG2 3.61Å; T771-Y902 PolarHBondContact N-O 3.43Å; T771-Y902 PolarHBondContact OG1-O 2.87Å; T771-Y902 VanDerWaalsContact OG1-O 3.12Å; T771-Y903 WeakPolarHBondContact O-CA 3.48Å; T771-Y903 WeakPolarHBondContact OG1-CB 3.44Å; T771-F904 PolarHBondContact O-N 3.43Å; T771-F904 VanDerWaalsContact O-N 3.11Å
772	G	86.3	Confident	90.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	15%	0.154	C	C	.	.			trans	158.4	161.4	171.7	0	0	0	0	0	112.1	K778 N885	G772-K778 PolarHBondContact O-NZ 2.99Å; G772-N885 PolarHBondContact O-OD1 3.49Å
773	P	81.3	Confident	90.5	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.039	16%	0.159	C	C	.	.			trans	-66.5	166.5	-178	26	-32.9	0	0	0	113.1	C776 K778 V906 F982 Y996	P773-C776 HydrophobicContact CG-CB 4.22Å; P773-C776 PolarHBondContact O-N 2.84Å; P773-C776 PolarHBondContact O-SG 2.97Å; P773-K778 PolarHBondContact O-NZ 3.16Å; P773-V906 HydrophobicContact CG-CG2 3.76Å; P773-F982 HydrophobicContact CG-CE1 4.15Å; P773-Y996 HydrophobicContact CB-CD2 3.75Å; P773-Y996 HydrophobicContact CB-CG 4.04Å; P773-Y996 HydrophobicContact CG-CD2 3.75Å; P773-Y996 HydrophobicContact CG-CE2 4.25Å; P773-Y996 HydrophobicContact CG-CG 4.27Å
774	P	80.4	Confident	90.7	Very high	64 Å²	64	24.6 Å²	24.6	42%	0.416	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	150.5	167.3	-24	34.6	0	0	0	111.3	C776 L1000	P774-C776 PolarHBondContact O-N 2.96Å; P774-L1000 HydrophobicContact CB-CD1 4.27Å; P774-L1000 HydrophobicContact CG-CD1 4.47Å
775	M	78.6	Confident	91	Very high	142 Å²	142	21.2 Å²	21.2	70%	0.7	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	-5.2	-178.3	-55.4	178.5	169.5	0	0	117.2	G777 F982 Y984 L1000	M775-G777 PolarHBondContact O-N 2.99Å; M775-G777 VanDerWaalsContact O-N 3.12Å; M775-F982 HydrophobicContact CB-CE2 4.26Å; M775-F982 HydrophobicContact CB-CZ 4.16Å; M775-Y984 WeakPolarHBondContact O-CE1 2.97Å; M775-L1000 HydrophobicContact SD-CD2 4.31Å
776	C	84.8	Confident	91.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	11%	0.108	C	C	.	.	S	Bend	trans	-74.2	0.5	-179.1	73.1	0	0	0	0	115.9	P773 P774 F904 F982 Y984	P773-C776 HydrophobicContact CG-CB 4.22Å; P773-C776 PolarHBondContact O-N 2.84Å; P773-C776 PolarHBondContact O-SG 2.97Å; P774-C776 PolarHBondContact O-N 2.96Å; C776-F904 HydrophobicContact CB-CB 3.8Å; C776-F904 HydrophobicContact CB-CG 4.21Å; C776-F904 WeakPolarHBondContact O-CD1 3.39Å; C776-F982 HydrophobicContact CB-CD1 3.99Å; C776-F982 HydrophobicContact CB-CE1 4.27Å; C776-Y984 WeakPolarHBondContact O-CD1 3.1Å
777	G	86.9	Confident	91.3	Very high	14 Å²	14	19.8 Å²	19.8	14%	0.144	11%	0.109	C	C	.	.	S	Bend	trans	98.2	13.1	174	0	0	0	0	0	116.9	M775 T779 T780 Y781	M775-G777 PolarHBondContact O-N 2.99Å; M775-G777 VanDerWaalsContact O-N 3.12Å; G777-T779 PolarHBondContact O-N 2.85Å; G777-T780 WeakPolarHBondContact O-CB 3.28Å; G777-T780 PolarHBondContact O-N 3.02Å; G777-T780 VanDerWaalsContact O-N 3.09Å; G777-Y781 PolarHBondContact O-N 3.19Å
778	K	90.4	Very high	91.3	Very high	18 Å²	18	19.8 Å²	19.8	8%	0.078	11%	0.109	C	C	.	.	H	α-helix	trans	-51.2	-53.2	179.2	-62.8	-174	-62.9	-81.5	0	113.8	G772 P773 T780 Y781 L782 A883 N885 F904	G772-K778 PolarHBondContact O-NZ 2.99Å; P773-K778 PolarHBondContact O-NZ 3.16Å; K778-T780 VanDerWaalsContact C-N 3.29Å; K778-T780 PolarHBondContact O-N 3.34Å; K778-Y781 WeakPolarHBondContact O-CB 3.33Å; K778-Y781 PolarHBondContact O-N 2.95Å; K778-Y781 VanDerWaalsContact O-N 3.16Å; K778-L782 PolarHBondContact O-N 3.32Å; K778-A883 HydrophobicContact CB-CB 3.9Å; K778-A883 HydrophobicContact CD-CB 4.13Å; K778-A883 HydrophobicContact CG-CB 4.44Å; K778-N885 WeakPolarHBondContact CE-OD1 3.46Å; K778-N885 PolarHBondContact NZ-OD1 3.25Å; K778-F904 HydrophobicContact CB-CE2 4.36Å; K778-F904 HydrophobicContact CG-CD2 3.87Å; K778-F904 HydrophobicContact CG-CE2 3.81Å
779	T	91.3	Very high	91.4	Very high	46 Å²	46	19.7 Å²	19.7	28%	0.282	11%	0.108	S	C	.	.	H	α-helix	trans	-58.2	-42.4	177	-43.5	0	0	0	0	111.9	G777 Y781 L782 R783 F813 D851	G777-T779 PolarHBondContact O-N 2.85Å; T779-Y781 VanDerWaalsContact C-N 3.3Å; T779-Y781 PolarHBondContact O-N 3.1Å; T779-L782 PolarHBondContact O-N 3.5Å; T779-R783 WeakPolarHBondContact O-CB 3.37Å; T779-R783 WeakPolarHBondContact O-CG 3.23Å; T779-R783 PolarHBondContact O-N 3.33Å; T779-F813 HydrophobicContact CG2-CZ 4.49Å; T779-D851 WeakPolarHBondContact CA-OD2 3.32Å; T779-D851 WeakPolarHBondContact CB-OD2 3.28Å; T779-D851 WeakPolarHBondContact CG2-OD2 3.49Å; T779-D851 PolarHBondContact OG1-OD2 3.33Å
780	T	91.5	Very high	91.4	Very high	54 Å²	54	19.7 Å²	19.7	33%	0.331	11%	0.108	S	C	.	.	H	α-helix	trans	-62.9	-38.4	179.2	-51.9	0	0	0	0	111.3	N743 T746 G777 K778 Q784	N743-T780 HydrophobicContact CB-CG2 4.08Å; N743-T780 PolarHBondContact ND2-O 2.89Å; T746-T780 HydrophobicContact CG2-CG2 3.89Å; G777-T780 WeakPolarHBondContact O-CB 3.28Å; G777-T780 PolarHBondContact O-N 3.02Å; G777-T780 VanDerWaalsContact O-N 3.09Å; K778-T780 VanDerWaalsContact C-N 3.29Å; K778-T780 PolarHBondContact O-N 3.34Å; T780-Q784 WeakPolarHBondContact O-CB 3.4Å; T780-Q784 PolarHBondContact O-N 2.96Å
781	Y	94.8	Very high	91.5	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-70.4	-42.8	176.1	176	-101.8	0	0	0	113	N757 H758 T759 I770 G777 K778 T779 R783 Q784 I785 F904 L986	N757-Y781 HydrophobicContact CB-CD2 3.76Å; N757-Y781 HydrophobicContact CB-CE2 3.68Å; H758-Y781 PolarHBondContact O-OH 3.03Å; H758-Y781 VanDerWaalsContact O-OH 3.07Å; T759-Y781 PolarHBondContact OG1-OH 3.01Å; I770-Y781 HydrophobicContact CD1-CD1 3.88Å; I770-Y781 HydrophobicContact CD1-CE1 3.6Å; I770-Y781 HydrophobicContact CG1-CE1 4.4Å; G777-Y781 PolarHBondContact O-N 3.19Å; K778-Y781 WeakPolarHBondContact O-CB 3.33Å; K778-Y781 PolarHBondContact O-N 2.95Å; K778-Y781 VanDerWaalsContact O-N 3.16Å; T779-Y781 VanDerWaalsContact C-N 3.3Å; T779-Y781 PolarHBondContact O-N 3.1Å; Y781-R783 VanDerWaalsContact C-N 3.32Å; Y781-R783 PolarHBondContact O-N 3.48Å; Y781-Q784 VanDerWaalsContact O-CB 3.27Å; Y781-Q784 WeakPolarHBondContact O-CB 3.22Å; Y781-Q784 PolarHBondContact O-N 3.26Å; Y781-I785 HydrophobicContact CD1-CD1 4.2Å; Y781-I785 HydrophobicContact CE1-CD1 3.59Å; Y781-I785 HydrophobicContact CE1-CG1 4.48Å; Y781-I785 PolarHBondContact O-N 3.16Å; Y781-I785 VanDerWaalsContact O-N 3.13Å; Y781-F904 HydrophobicContact CG-CZ 4.04Å; Y781-L986 HydrophobicContact CE1-CD2 3.9Å; Y781-L986 HydrophobicContact CE2-CD2 3.88Å; Y781-L986 VanDerWaalsContact CZ-CD2 3.46Å; Y781-L986 WeakPolarHBondContact OH-CD2 3.42Å
782	L	96.2	Very high	91.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-42.2	174.6	-66.8	179.8	0	0	0	111.3	I770 K778 T779 Q784 I785 A786 F813 L849 I850 D851 F881 A883	I770-L782 HydrophobicContact CD1-CD2 3.97Å; K778-L782 PolarHBondContact O-N 3.32Å; T779-L782 PolarHBondContact O-N 3.5Å; L782-Q784 VanDerWaalsContact C-N 3.33Å; L782-Q784 PolarHBondContact O-N 3.43Å; L782-I785 PolarHBondContact O-N 2.88Å; L782-A786 PolarHBondContact O-N 2.93Å; L782-A786 VanDerWaalsContact O-N 3.12Å; L782-F813 HydrophobicContact CB-CE2 3.79Å; L782-F813 HydrophobicContact CB-CZ 4.41Å; L782-L849 HydrophobicContact CD2-CD2 4.15Å; L782-I850 WeakPolarHBondContact CD1-O 3.34Å; L782-D851 HydrophobicContact CD1-CB 3.76Å; L782-F881 HydrophobicContact CD2-CB 3.59Å; L782-A883 HydrophobicContact CD1-CB 3.64Å; L782-A883 HydrophobicContact CG-CB 4.29Å
783	R	95	Very high	92.3	Very high	45 Å²	45	19.7 Å²	19.7	17%	0.17	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-38.8	173.5	-74.7	-179.9	-179.6	159	6.3	112.3	H233 L234 T779 Y781 I785 A786 Y787 F813	H233-R783 PolarHBondContact O-NH2 3.43Å; L234-R783 HydrophobicContact CD2-CG 4.2Å; T779-R783 WeakPolarHBondContact O-CB 3.37Å; T779-R783 WeakPolarHBondContact O-CG 3.23Å; T779-R783 PolarHBondContact O-N 3.33Å; Y781-R783 VanDerWaalsContact C-N 3.32Å; Y781-R783 PolarHBondContact O-N 3.48Å; R783-I785 VanDerWaalsContact C-N 3.32Å; R783-I785 PolarHBondContact O-N 3.45Å; R783-A786 PolarHBondContact O-N 2.9Å; R783-Y787 HydrophobicContact CB-CD2 4.49Å; R783-Y787 HydrophobicContact CB-CE1 4.35Å; R783-Y787 HydrophobicContact CB-CE2 4Å; R783-Y787 WeakPolarHBondContact O-CB 3.15Å; R783-Y787 WeakPolarHBondContact O-CD1 3.21Å; R783-Y787 WeakPolarHBondContact O-CD2 3.46Å; R783-Y787 PolarHBondContact O-N 3.25Å; R783-F813 HydrophobicContact CG-CE2 4.12Å; R783-F813 HydrophobicContact CG-CZ 4.17Å
784	Q	94.9	Very high	93	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-55.1	-48.1	174.7	177	-167.8	-35.4	0	0	111.2	G741 N743 N757 T780 Y781 L782 Y787 I788	G741-Q784 PolarHBondContact O-NE2 3.27Å; N743-Q784 HydrophobicContact CB-CB 4.09Å; N743-Q784 HydrophobicContact CB-CG 4.49Å; N757-Q784 PolarHBondContact O-NE2 3.4Å; T780-Q784 WeakPolarHBondContact O-CB 3.4Å; T780-Q784 PolarHBondContact O-N 2.96Å; Y781-Q784 VanDerWaalsContact O-CB 3.27Å; Y781-Q784 WeakPolarHBondContact O-CB 3.22Å; Y781-Q784 PolarHBondContact O-N 3.26Å; L782-Q784 VanDerWaalsContact C-N 3.33Å; L782-Q784 PolarHBondContact O-N 3.43Å; Q784-Y787 PolarHBondContact O-N 2.8Å; Q784-I788 HydrophobicContact CG-CD1 3.96Å; Q784-I788 WeakPolarHBondContact O-CG1 3.5Å; Q784-I788 PolarHBondContact O-N 2.65Å
785	I	96.8	Very high	93.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.1	-48.4	177.4	-62.9	170.1	0	0	0	110.3	L736 T759 Y781 L782 R783 Y787 I788 Q789 L849 F881	L736-I785 HydrophobicContact CD2-CG2 4.08Å; T759-I785 HydrophobicContact CG2-CD1 3.77Å; T759-I785 HydrophobicContact CG2-CG1 4.02Å; Y781-I785 HydrophobicContact CD1-CD1 4.2Å; Y781-I785 HydrophobicContact CE1-CD1 3.59Å; Y781-I785 HydrophobicContact CE1-CG1 4.48Å; Y781-I785 PolarHBondContact O-N 3.16Å; Y781-I785 VanDerWaalsContact O-N 3.13Å; L782-I785 PolarHBondContact O-N 2.88Å; R783-I785 VanDerWaalsContact C-N 3.32Å; R783-I785 PolarHBondContact O-N 3.45Å; I785-Y787 PolarHBondContact O-N 3.4Å; I785-I788 PolarHBondContact O-N 3.42Å; I785-Q789 WeakPolarHBondContact O-CB 3.37Å; I785-Q789 PolarHBondContact O-N 3.41Å; I785-L849 HydrophobicContact CB-CD2 4.48Å; I785-L849 HydrophobicContact CG2-CD2 4.27Å; I785-F881 HydrophobicContact CD1-CD1 3.8Å; I785-F881 HydrophobicContact CD1-CD2 4.33Å; I785-F881 HydrophobicContact CD1-CE1 3.89Å; I785-F881 HydrophobicContact CD1-CE2 4.38Å; I785-F881 HydrophobicContact CD1-CG 4.04Å; I785-F881 HydrophobicContact CD1-CZ 4.18Å; I785-F881 HydrophobicContact CG2-CE2 4.35Å
786	A	96.9	Very high	94.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-47	179.4	0	0	0	0	0	112.4	L234 L782 R783 Q789 I790 L849	L234-A786 HydrophobicContact CD1-CB 4.07Å; L234-A786 HydrophobicContact CD2-CB 3.45Å; L234-A786 VanDerWaalsContact CD2-CB 3.45Å; L234-A786 HydrophobicContact CG-CB 4.42Å; L782-A786 PolarHBondContact O-N 2.93Å; L782-A786 VanDerWaalsContact O-N 3.12Å; R783-A786 PolarHBondContact O-N 2.9Å; A786-Q789 PolarHBondContact O-N 3.44Å; A786-I790 VanDerWaalsContact O-CG1 3.27Å; A786-I790 WeakPolarHBondContact O-CG1 3.26Å; A786-I790 PolarHBondContact O-N 3.47Å; A786-L849 HydrophobicContact CB-CD1 3.58Å
787	Y	96.8	Very high	95.1	Very high	6 Å²	6	10.4 Å²	10.4	2%	0.024	6%	0.056	C	C	.	.	H	α-helix	trans	-66.2	-43.6	-177.5	-62.4	-14.2	0	0	0	111.3	L234 L236 L249 N743 I744 V745 R783 Q784 I785 Q789 I790 L791	L234-Y787 HydrophobicContact CB-CE1 4.45Å; L234-Y787 HydrophobicContact CD2-CE1 4.42Å; L234-Y787 WeakPolarHBondContact O-CE1 3.44Å; L234-Y787 PolarHBondContact O-OH 3.09Å; L236-Y787 HydrophobicContact CD2-CD1 4.47Å; L236-Y787 HydrophobicContact CD2-CE1 4.25Å; L249-Y787 HydrophobicContact CB-CD1 4.43Å; L249-Y787 HydrophobicContact CB-CE1 4.28Å; L249-Y787 HydrophobicContact CD1-CD1 4.32Å; L249-Y787 HydrophobicContact CD1-CD2 4.28Å; L249-Y787 HydrophobicContact CD1-CG 4.01Å; L249-Y787 HydrophobicContact CD2-CD1 3.84Å; L249-Y787 HydrophobicContact CD2-CE1 4.42Å; L249-Y787 HydrophobicContact CD2-CG 4.25Å; L249-Y787 HydrophobicContact CG-CD1 4.43Å; N743-Y787 WeakPolarHBondContact OD1-CD2 3.36Å; N743-Y787 WeakPolarHBondContact OD1-CE2 3.44Å; I744-Y787 HydrophobicContact CG2-CD2 4.36Å; V745-Y787 HydrophobicContact CB-CE2 4.05Å; V745-Y787 HydrophobicContact CG2-CD2 4.08Å; V745-Y787 HydrophobicContact CG2-CE2 3.47Å; V745-Y787 VanDerWaalsContact CG2-CE2 3.47Å; R783-Y787 HydrophobicContact CB-CD2 4.49Å; R783-Y787 HydrophobicContact CB-CE1 4.35Å; R783-Y787 HydrophobicContact CB-CE2 4Å; R783-Y787 WeakPolarHBondContact O-CB 3.15Å; R783-Y787 WeakPolarHBondContact O-CD1 3.21Å; R783-Y787 WeakPolarHBondContact O-CD2 3.46Å; R783-Y787 PolarHBondContact O-N 3.25Å; Q784-Y787 PolarHBondContact O-N 2.8Å; I785-Y787 PolarHBondContact O-N 3.4Å; Y787-Q789 VanDerWaalsContact C-N 3.32Å; Y787-Q789 PolarHBondContact O-N 2.74Å; Y787-I790 PolarHBondContact O-N 2.93Å; Y787-L791 WeakPolarHBondContact O-CB 3Å; Y787-L791 VanDerWaalsContact O-CG 3.24Å; Y787-L791 WeakPolarHBondContact O-CG 3.41Å; Y787-L791 PolarHBondContact O-N 3.41Å
788	I	96.5	Very high	95.6	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-61.3	-43	175.9	-69.5	172.6	0	0	0	110.6	I738 Q784 I785 A792 V798 P799 T803	I738-I788 HydrophobicContact CD1-CB 4.29Å; I738-I788 HydrophobicContact CD1-CD1 4.03Å; I738-I788 HydrophobicContact CD1-CG2 3.99Å; I738-I788 HydrophobicContact CG1-CG2 4.37Å; I738-I788 HydrophobicContact CG2-CD1 3.73Å; Q784-I788 HydrophobicContact CG-CD1 3.96Å; Q784-I788 WeakPolarHBondContact O-CG1 3.5Å; Q784-I788 PolarHBondContact O-N 2.65Å; I785-I788 PolarHBondContact O-N 3.42Å; I788-A792 VanDerWaalsContact O-CB 3.32Å; I788-A792 WeakPolarHBondContact O-CB 3.4Å; I788-A792 PolarHBondContact O-N 3.25Å; I788-V798 HydrophobicContact CG2-CB 4.14Å; I788-V798 HydrophobicContact CG2-CG1 4.19Å; I788-V798 HydrophobicContact CG2-CG2 4.33Å; I788-P799 HydrophobicContact CG1-CG 4.39Å; I788-T803 HydrophobicContact CG2-CG2 3.86Å
789	Q	97.5	Very high	95.7	Very high	2 Å²	2	9 Å²	9	1%	0.009	5%	0.046	C	C	.	.	H	α-helix	trans	-60.8	-46.6	176.2	-179.2	67.6	28.5	0	0	112.1	I785 A786 Y787 A792 Q793 R806 T808 I811 I847	I785-Q789 WeakPolarHBondContact O-CB 3.37Å; I785-Q789 PolarHBondContact O-N 3.41Å; A786-Q789 PolarHBondContact O-N 3.44Å; Y787-Q789 VanDerWaalsContact C-N 3.32Å; Y787-Q789 PolarHBondContact O-N 2.74Å; Q789-A792 PolarHBondContact O-N 2.95Å; Q789-Q793 WeakPolarHBondContact O-CG 3.35Å; Q789-Q793 PolarHBondContact O-N 3.16Å; Q789-R806 PolarHBondContact NE2-O 2.96Å; Q789-T808 PolarHBondContact NE2-OG1 3.37Å; Q789-T808 VanDerWaalsContact NE2-OG1 3.14Å; Q789-I811 HydrophobicContact CG-CD1 3.86Å; Q789-I847 HydrophobicContact CB-CD1 4.34Å; Q789-I847 HydrophobicContact CG-CD1 3.68Å
790	I	97.3	Very high	95.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.3	-48.7	179.8	-69.4	166.7	0	0	0	110.2	I226 L234 L236 L249 L269 P272 A786 Y787 A792 Q793 I794 I811	I226-I790 HydrophobicContact CD1-CD1 3.88Å; I226-I790 HydrophobicContact CD1-CG1 4.1Å; L234-I790 HydrophobicContact CD1-CD1 4.48Å; L236-I790 HydrophobicContact CD1-CD1 4.1Å; L236-I790 HydrophobicContact CD2-CD1 3.56Å; L249-I790 HydrophobicContact CD2-CG2 4.16Å; L269-I790 HydrophobicContact CD2-CG2 3.71Å; P272-I790 HydrophobicContact CG-CG2 4.21Å; A786-I790 VanDerWaalsContact O-CG1 3.27Å; A786-I790 WeakPolarHBondContact O-CG1 3.26Å; A786-I790 PolarHBondContact O-N 3.47Å; Y787-I790 PolarHBondContact O-N 2.93Å; I790-A792 VanDerWaalsContact C-N 3.3Å; I790-A792 PolarHBondContact O-N 3.18Å; I790-Q793 PolarHBondContact O-N 3.3Å; I790-Q793 VanDerWaalsContact O-N 3.15Å; I790-I794 HydrophobicContact CG2-CG2 4.4Å; I790-I794 WeakPolarHBondContact O-CG2 3.26Å; I790-I794 PolarHBondContact O-N 3.41Å; I790-I811 HydrophobicContact CG1-CD1 3.84Å
791	L	97.1	Very high	95.7	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-59.7	-40	178.8	-72.1	178.9	0	0	0	112.2	I253 I744 Y787 I794 S796 V798	I253-L791 HydrophobicContact CD1-CD2 3.74Å; I253-L791 HydrophobicContact CG2-CD2 4.26Å; I744-L791 HydrophobicContact CD1-CD1 4.29Å; I744-L791 HydrophobicContact CG2-CD1 4.48Å; Y787-L791 WeakPolarHBondContact O-CB 3Å; Y787-L791 VanDerWaalsContact O-CG 3.24Å; Y787-L791 WeakPolarHBondContact O-CG 3.41Å; Y787-L791 PolarHBondContact O-N 3.41Å; L791-I794 HydrophobicContact CD2-CD1 3.81Å; L791-I794 VanDerWaalsContact O-CG1 3.27Å; L791-I794 WeakPolarHBondContact O-CG1 3.47Å; L791-S796 WeakPolarHBondContact O-CB 3.5Å; L791-S796 PolarHBondContact O-N 2.77Å; L791-V798 HydrophobicContact CB-CG1 3.83Å
792	A	97	Very high	95.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62	-48.4	174.4	0	0	0	0	0	111.4	I279 P730 F732 I788 Q789 I790 I794 G795 V798 V805	I279-A792 WeakPolarHBondContact CG2-O 3.34Å; P730-A792 HydrophobicContact CB-CB 3.95Å; P730-A792 HydrophobicContact CG-CB 3.58Å; F732-A792 HydrophobicContact CZ-CB 4.23Å; F732-A792 WeakPolarHBondContact CZ-O 3.3Å; I788-A792 VanDerWaalsContact O-CB 3.32Å; I788-A792 WeakPolarHBondContact O-CB 3.4Å; I788-A792 PolarHBondContact O-N 3.25Å; Q789-A792 PolarHBondContact O-N 2.95Å; I790-A792 VanDerWaalsContact C-N 3.3Å; I790-A792 PolarHBondContact O-N 3.18Å; A792-I794 PolarHBondContact O-N 2.89Å; A792-G795 PolarHBondContact O-N 3.4Å; A792-G795 VanDerWaalsContact O-N 3.12Å; A792-V798 HydrophobicContact CB-CG1 4.11Å; A792-V805 HydrophobicContact CB-CG1 4.21Å; A792-V805 HydrophobicContact CB-CG2 3.7Å
793	Q	96.4	Very high	95.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-71.1	-25.9	-178	-69.3	-169.4	135.9	0	0	114.2	T224 P272 P273 I279 F732 Q789 I790 G795 L807 T808	T224-Q793 PolarHBondContact OG1-NE2 3.35Å; T224-Q793 PolarHBondContact OG1-OE1 3.33Å; P272-Q793 HydrophobicContact CB-CB 3.95Å; P273-Q793 VanDerWaalsContact CD-O 3.3Å; P273-Q793 WeakPolarHBondContact CD-O 3.34Å; P273-Q793 WeakPolarHBondContact CG-O 3.3Å; I279-Q793 VanDerWaalsContact CG1-O 3.31Å; I279-Q793 WeakPolarHBondContact CG1-O 3.48Å; F732-Q793 HydrophobicContact CE1-CG 4.17Å; Q789-Q793 WeakPolarHBondContact O-CG 3.35Å; Q789-Q793 PolarHBondContact O-N 3.16Å; I790-Q793 PolarHBondContact O-N 3.3Å; I790-Q793 VanDerWaalsContact O-N 3.15Å; Q793-G795 PolarHBondContact O-N 2.94Å; Q793-L807 HydrophobicContact CG-CD1 4.42Å; Q793-T808 PolarHBondContact OE1-O 3.13Å
794	I	96	Very high	95.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.7	172.5	67.2	-178.9	0	0	0	113	I253 N268 L269 P272 R282 F714 I790 L791 A792	I253-I794 HydrophobicContact CD1-CD1 4.36Å; N268-I794 HydrophobicContact CB-CB 4.31Å; N268-I794 HydrophobicContact CB-CG2 3.92Å; N268-I794 WeakPolarHBondContact O-CG2 3.47Å; L269-I794 HydrophobicContact CD2-CD1 4.12Å; P272-I794 HydrophobicContact CB-CG2 4.04Å; P272-I794 HydrophobicContact CG-CG2 4.38Å; R282-I794 VanDerWaalsContact CD-O 3.22Å; R282-I794 WeakPolarHBondContact CD-O 3.28Å; R282-I794 PolarHBondContact NH1-O 3.1Å; F714-I794 HydrophobicContact CE1-CD1 3.65Å; F714-I794 HydrophobicContact CE1-CG1 4.27Å; F714-I794 HydrophobicContact CE2-CG1 4.28Å; F714-I794 HydrophobicContact CZ-CB 4.17Å; F714-I794 HydrophobicContact CZ-CD1 3.53Å; F714-I794 HydrophobicContact CZ-CG1 3.73Å; I790-I794 HydrophobicContact CG2-CG2 4.4Å; I790-I794 WeakPolarHBondContact O-CG2 3.26Å; I790-I794 PolarHBondContact O-N 3.41Å; L791-I794 HydrophobicContact CD2-CD1 3.81Å; L791-I794 VanDerWaalsContact O-CG1 3.27Å; L791-I794 WeakPolarHBondContact O-CG1 3.47Å; A792-I794 PolarHBondContact O-N 2.89Å
795	G	96.4	Very high	95.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	18.3	-179.8	0	0	0	0	0	114.2	A792 Q793	A792-G795 PolarHBondContact O-N 3.4Å; A792-G795 VanDerWaalsContact O-N 3.12Å; Q793-G795 PolarHBondContact O-N 2.94Å
796	S	96.2	Very high	95.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.053	C	C	.	.			trans	-89.4	163.4	175.6	-175.8	0	0	0	0	111.5	M717 L791	M717-S796 WeakPolarHBondContact CE-OG 3.13Å; L791-S796 WeakPolarHBondContact O-CB 3.5Å; L791-S796 PolarHBondContact O-N 2.77Å
797	F	96.3	Very high	95.6	Very high	19 Å²	19	14.3 Å²	14.3	8%	0.083	7%	0.067	C	C	.	.			trans	-76.8	157.1	163.3	-73.6	30.4	0	0	0	109	V286 R287 I290 F727 V728 C729	V286-F797 HydrophobicContact CB-CE1 4.3Å; V286-F797 HydrophobicContact CG1-CD1 3.86Å; V286-F797 HydrophobicContact CG1-CE1 3.94Å; R287-F797 HydrophobicContact CB-CE1 4.25Å; R287-F797 HydrophobicContact CB-CZ 3.77Å; R287-F797 HydrophobicContact CG-CZ 4.12Å; I290-F797 HydrophobicContact CD1-CD2 3.83Å; I290-F797 HydrophobicContact CD1-CE1 4.43Å; I290-F797 HydrophobicContact CD1-CE2 3.73Å; I290-F797 HydrophobicContact CD1-CG 4.23Å; I290-F797 HydrophobicContact CD1-CZ 4.04Å; F727-F797 HydrophobicContact CB-CB 4.4Å; F727-F797 HydrophobicContact CD1-CB 4.16Å; V728-F797 WeakPolarHBondContact O-CA 3.25Å; V728-F797 WeakPolarHBondContact O-CB 3.47Å; C729-F797 HydrophobicContact CB-CD1 4.13Å; C729-F797 HydrophobicContact CB-CD2 4.28Å; C729-F797 HydrophobicContact CB-CE1 3.78Å; C729-F797 HydrophobicContact CB-CE2 3.93Å; C729-F797 HydrophobicContact CB-CG 4.38Å; C729-F797 HydrophobicContact CB-CZ 3.67Å
798	V	95.6	Very high	95.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-120.8	149.1	-171.1	-62.6	0	0	0	0	111.8	F727 V728 P730 I788 L791 A792 A800 T803	F727-V798 VanDerWaalsContact CA-O 3.31Å; F727-V798 WeakPolarHBondContact CA-O 3.5Å; V728-V798 HydrophobicContact CG1-CG2 3.87Å; V728-V798 PolarHBondContact N-O 2.83Å; V728-V798 PolarHBondContact O-N 2.71Å; P730-V798 HydrophobicContact CB-CG1 4.42Å; P730-V798 HydrophobicContact CB-CG2 4.02Å; P730-V798 HydrophobicContact CG-CG1 3.99Å; P730-V798 HydrophobicContact CG-CG2 4.25Å; I788-V798 HydrophobicContact CG2-CB 4.14Å; I788-V798 HydrophobicContact CG2-CG1 4.19Å; I788-V798 HydrophobicContact CG2-CG2 4.33Å; L791-V798 HydrophobicContact CB-CG1 3.83Å; A792-V798 HydrophobicContact CB-CG1 4.11Å; V798-A800 VanDerWaalsContact C-N 3.32Å; V798-A800 HydrophobicContact CG2-CB 4.46Å; V798-A800 PolarHBondContact O-N 3.42Å; V798-T803 HydrophobicContact CG2-CG2 3.96Å
799	P	93.4	Very high	95.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	8%	0.078	C	C	.	.	S	Bend	trans	-77.5	78.3	-179.4	33.4	-38.1	0	0	0	111.4	F727 G741 R742 I744 I788	F727-P799 HydrophobicContact CE1-CB 4.37Å; F727-P799 HydrophobicContact CE2-CB 3.92Å; F727-P799 HydrophobicContact CZ-CB 3.87Å; G741-P799 WeakPolarHBondContact CA-O 3.4Å; R742-P799 HydrophobicContact CB-CB 4.47Å; R742-P799 PolarHBondContact N-O 3.47Å; R742-P799 WeakPolarHBondContact O-CG 3.44Å; I744-P799 HydrophobicContact CB-CG 4.34Å; I788-P799 HydrophobicContact CG1-CG 4.39Å
800	A	92.6	Very high	95	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	9%	0.085	C	C	.	.	S	Bend	trans	-155.9	163.7	178.8	0	0	0	0	0	110.4	H726 V728 I738 V798 T803	H726-A800 PolarHBondContact O-N 2.95Å; V728-A800 WeakPolarHBondContact CB-O 3.26Å; V728-A800 HydrophobicContact CG1-CB 4.17Å; V728-A800 VanDerWaalsContact CG1-O 3.26Å; V728-A800 WeakPolarHBondContact CG1-O 3.46Å; I738-A800 HydrophobicContact CG2-CB 4.06Å; V798-A800 VanDerWaalsContact C-N 3.32Å; V798-A800 HydrophobicContact CG2-CB 4.46Å; V798-A800 PolarHBondContact O-N 3.42Å; A800-T803 WeakPolarHBondContact CB-OG1 3.46Å
801	E	91	Very high	94.9	Very high	85 Å²	85	17.8 Å²	17.8	40%	0.397	9%	0.085	S	C	.	.	S	Bend	trans	-79	-40.1	173.4	-171.3	-170.9	154.6	0	0	111.3	K739 N740	K739-E801 HydrophobicContact CB-CB 4.46Å; K739-E801 HydrophobicContact CD-CB 4.37Å; K739-E801 HydrophobicContact CD-CG 4.28Å; K739-E801 WeakPolarHBondContact CD-OE2 3.3Å; K739-E801 VanDerWaalsContact CE-CD 3.46Å; K739-E801 VanDerWaalsContact CE-OE1 3.24Å; K739-E801 WeakPolarHBondContact CE-OE1 3.46Å; K739-E801 WeakPolarHBondContact CE-OE2 3.46Å; K739-E801 HydrophobicContact CG-CB 4.39Å; K739-E801 IonicContact NZ-OE1 2.62Å; K739-E801 PolarHBondContact NZ-OE1 2.86Å; K739-E801 IonicContact NZ-OE2 3.4Å; K739-E801 PolarHBondContact O-N 3.29Å; N740-E801 HydrophobicContact CB-CB 4.19Å; N740-E801 PolarHBondContact ND2-OE2 3.31Å
802	F	93.2	Very high	94.9	Very high	96 Å²	96	17.9 Å²	17.9	42%	0.421	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.9	172.7	171.5	-91.8	0	0	0	108.5	I731 K739	I731-F802 HydrophobicContact CD1-CE2 4.02Å; K739-F802 HydrophobicContact CB-CB 3.83Å; K739-F802 HydrophobicContact CD-CB 4.4Å; K739-F802 PolarHBondContact N-O 3.02Å
803	T	96.2	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	124.2	174.1	-67.5	0	0	0	0	110.8	P730 I731 G737 I738 I788 V798 A800 V805	P730-T803 WeakPolarHBondContact CA-O 3.45Å; P730-T803 HydrophobicContact CB-CG2 3.78Å; I731-T803 PolarHBondContact N-O 3.14Å; G737-T803 CarbonylContact O-C 3.57Å; G737-T803 VanDerWaalsContact O-CA 3.26Å; G737-T803 WeakPolarHBondContact O-CA 3.44Å; I738-T803 HydrophobicContact CG1-CG2 4.41Å; I788-T803 HydrophobicContact CG2-CG2 3.86Å; V798-T803 HydrophobicContact CG2-CG2 3.96Å; A800-T803 WeakPolarHBondContact CB-OG1 3.46Å; T803-V805 HydrophobicContact CG2-CG1 3.67Å
804	S	96.8	Very high	94.6	Very high	10 Å²	10	18 Å²	18	7%	0.07	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.7	158.7	-170	0	0	0	0	109.6	I731 S733 I735 L736 G737	I731-S804 CarbonylContact O-C 3.56Å; I731-S804 WeakPolarHBondContact O-CA 3.25Å; I731-S804 PolarHBondContact O-OG 3.46Å; S733-S804 VanDerWaalsContact CB-OG 3.3Å; S733-S804 WeakPolarHBondContact CB-OG 3.19Å; S733-S804 PolarHBondContact OG-OG 3.21Å; I735-S804 CarbonylContact O-C 3.58Å; L736-S804 CarbonylContact C-O 3.54Å; L736-S804 WeakPolarHBondContact CA-O 3.41Å; G737-S804 PolarHBondContact N-O 3.23Å; G737-S804 PolarHBondContact O-N 2.64Å
805	V	96.4	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.5	-179.7	-71.1	0	0	0	0	110.6	P730 I731 F732 S733 I735 L736 A792 T803	P730-V805 HydrophobicContact CB-CG2 4.45Å; I731-V805 PolarHBondContact O-N 3.42Å; F732-V805 CarbonylContact C-O 3.52Å; F732-V805 VanDerWaalsContact CA-O 3.31Å; F732-V805 WeakPolarHBondContact CA-O 3.48Å; F732-V805 HydrophobicContact CD1-CG2 3.83Å; F732-V805 HydrophobicContact CE1-CG2 3.66Å; F732-V805 HydrophobicContact CE2-CG2 4.5Å; F732-V805 HydrophobicContact CG-CG2 4.33Å; F732-V805 HydrophobicContact CZ-CG2 4.01Å; S733-V805 PolarHBondContact N-O 3.02Å; I735-V805 CarbonylContact O-C 3.44Å; L736-V805 HydrophobicContact CD1-CB 4.43Å; L736-V805 HydrophobicContact CD1-CG1 3.81Å; A792-V805 HydrophobicContact CB-CG1 4.21Å; A792-V805 HydrophobicContact CB-CG2 3.7Å; T803-V805 HydrophobicContact CG2-CG1 3.67Å
806	R	94.9	Very high	93.5	Very high	21 Å²	21	24.3 Å²	24.3	8%	0.079	12%	0.118	C	C	.	.			trans	-86.2	135.6	168	-173.2	179.5	68.2	-177.8	-0.1	110.3	S733 Q789 T808 R844 S845 S846 K877 F879	S733-R806 WeakPolarHBondContact O-CA 3.47Å; Q789-R806 PolarHBondContact NE2-O 2.96Å; R806-T808 PolarHBondContact O-N 3.48Å; R806-T808 VanDerWaalsContact O-N 3.13Å; R806-T808 PolarHBondContact O-OG1 2.84Å; R806-R844 PolarHBondContact NH1-O 2.93Å; R806-R844 PolarHBondContact NH2-O 3.04Å; R806-S845 PolarHBondContact NH2-O 2.91Å; R806-S846 PolarHBondContact NH2-O 3.02Å; R806-K877 PolarHBondContact NH1-O 3.29Å; R806-F879 HydrophobicContact CB-CE2 3.92Å
807	L	94.5	Very high	92.3	Very high	58 Å²	58	25 Å²	25	30%	0.304	12%	0.124	S	C	.	.			trans	-62.2	117.6	171.2	-168.3	68.6	0	0	0	108.7	I279 F732 Q793	I279-L807 HydrophobicContact CD1-CD1 3.65Å; F732-L807 HydrophobicContact CD1-CB 4.3Å; F732-L807 HydrophobicContact CD1-CD1 4.19Å; F732-L807 HydrophobicContact CE1-CD1 3.96Å; Q793-L807 HydrophobicContact CG-CD1 4.42Å
808	T	93.6	Very high	91.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.154	C	C	.	.			trans	-113.5	128.8	-168.1	-65.3	0	0	0	0	109.5	T224 C274 Q789 Q793 R806 Q810 I811 S845 I847	T224-T808 WeakPolarHBondContact CG2-O 3.4Å; T224-T808 PolarHBondContact OG1-O 3.09Å; C274-T808 PolarHBondContact SG-O 3.19Å; Q789-T808 PolarHBondContact NE2-OG1 3.37Å; Q789-T808 VanDerWaalsContact NE2-OG1 3.14Å; Q793-T808 PolarHBondContact OE1-O 3.13Å; R806-T808 PolarHBondContact O-N 3.48Å; R806-T808 VanDerWaalsContact O-N 3.13Å; R806-T808 PolarHBondContact O-OG1 2.84Å; T808-Q810 WeakPolarHBondContact CG2-O 3.45Å; T808-I811 HydrophobicContact CG2-CG1 3.88Å; T808-S845 WeakPolarHBondContact CG2-O 3.37Å; T808-S845 PolarHBondContact OG1-O 3.17Å; T808-I847 HydrophobicContact CG2-CB 4.22Å; T808-I847 HydrophobicContact CG2-CD1 4.07Å; T808-I847 HydrophobicContact CG2-CG1 3.99Å; T808-I847 VanDerWaalsContact OG1-CD1 3.3Å; T808-I847 WeakPolarHBondContact OG1-CD1 3.29Å
809	D	91.9	Very high	90.4	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	18%	0.181	C	C	.	.	S	Bend	trans	-86.1	-27.4	179.2	64.4	-39.5	0	0	0	112.9	T224 M225 S843 S845 S846	T224-D809 CarbonylContact C-O 3.53Å; T224-D809 WeakPolarHBondContact CA-O 3.25Å; M225-D809 PolarHBondContact N-O 3.29Å; D809-S843 PolarHBondContact OD1-OG 3.37Å; D809-S843 VanDerWaalsContact OD2-CB 3.24Å; D809-S843 WeakPolarHBondContact OD2-CB 3.31Å; D809-S843 PolarHBondContact OD2-OG 3.11Å; D809-S845 VanDerWaalsContact OD1-C 3.32Å; D809-S845 WeakPolarHBondContact OD1-CB 3.4Å; D809-S845 PolarHBondContact OD1-OG 3.48Å; D809-S846 PolarHBondContact OD1-N 3.18Å; D809-S846 PolarHBondContact OD1-OG 3.17Å
810	Q	92.8	Very high	89.6	Confident	35 Å²	35	38.5 Å²	38.5	16%	0.164	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.8	179.6	-50	-178	47.1	0	0	111.9	M225 T808 F812 N841 S846 I847	M225-Q810 HydrophobicContact CB-CB 4.49Å; M225-Q810 HydrophobicContact CB-CG 4.01Å; M225-Q810 VanDerWaalsContact O-CA 3.29Å; M225-Q810 WeakPolarHBondContact O-CA 3.42Å; T808-Q810 WeakPolarHBondContact CG2-O 3.45Å; Q810-F812 HydrophobicContact CB-CD2 4.4Å; Q810-F812 HydrophobicContact CB-CE2 3.73Å; Q810-F812 HydrophobicContact CB-CZ 4.14Å; Q810-N841 PolarHBondContact NE2-O 3.11Å; Q810-N841 PolarHBondContact OE1-O 3.2Å; Q810-S846 VanDerWaalsContact O-CA 3.29Å; Q810-S846 WeakPolarHBondContact O-CA 3.13Å; Q810-I847 PolarHBondContact O-N 3.36Å
811	I	95.5	Very high	88.8	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.7	174.2	-57.6	172.8	0	0	0	108.1	T224 M225 I226 L234 Q789 I790 T808 I847	T224-I811 HydrophobicContact CG2-CD1 4.07Å; T224-I811 HydrophobicContact CG2-CG1 3.93Å; M225-I811 PolarHBondContact O-N 2.88Å; I226-I811 HydrophobicContact CD1-CD1 4.45Å; I226-I811 HydrophobicContact CG1-CB 4.34Å; L234-I811 HydrophobicContact CD1-CG2 4.4Å; Q789-I811 HydrophobicContact CG-CD1 3.86Å; I790-I811 HydrophobicContact CG1-CD1 3.84Å; T808-I811 HydrophobicContact CG2-CG1 3.88Å; I811-I847 WeakPolarHBondContact CA-O 3.44Å
812	F	95.5	Very high	88	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.013	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.1	175	-60.1	-80.2	0	0	0	110.1	S230 Q810 Y837 I838 N841 F842 I847 I848 L849	S230-F812 WeakPolarHBondContact OG-CA 3.47Å; Q810-F812 HydrophobicContact CB-CD2 4.4Å; Q810-F812 HydrophobicContact CB-CE2 3.73Å; Q810-F812 HydrophobicContact CB-CZ 4.14Å; F812-Y837 HydrophobicContact CD1-CE1 4.42Å; F812-Y837 HydrophobicContact CE1-CD1 4.42Å; F812-Y837 AromaticContact CE1-CE1 3.83Å; F812-Y837 HydrophobicContact CE1-CE1 3.83Å; F812-I838 HydrophobicContact CB-CD1 4.17Å; F812-I838 HydrophobicContact CB-CG1 4.1Å; F812-I838 HydrophobicContact CB-CG2 4.36Å; F812-I838 HydrophobicContact CD1-CG1 3.79Å; F812-I838 HydrophobicContact CD2-CG2 4.27Å; F812-I838 HydrophobicContact CE1-CG1 4.4Å; F812-I838 HydrophobicContact CG-CG1 4.03Å; F812-I838 HydrophobicContact CG-CG2 4.15Å; F812-N841 HydrophobicContact CZ-CB 4.32Å; F812-F842 HydrophobicContact CD2-CB 4.33Å; F812-F842 HydrophobicContact CE2-CB 3.67Å; F812-F842 HydrophobicContact CZ-CB 4.35Å; F812-I847 PolarHBondContact N-O 3.43Å; F812-I848 HydrophobicContact CD2-CG1 4.13Å; F812-L849 PolarHBondContact O-N 2.75Å
813	F	95	Very high	87.1	Confident	3 Å²	3	47.8 Å²	47.8	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	107.5	173.7	-168.1	-79.6	0	0	0	109.9	S230 H233 L234 T779 L782 R783 L849	S230-F813 PolarHBondContact OG-N 3.08Å; H233-F813 HydrophobicContact CB-CD1 3.46Å; H233-F813 VanDerWaalsContact CB-CD1 3.46Å; H233-F813 HydrophobicContact CB-CE1 4Å; H233-F813 HydrophobicContact CB-CG 4.41Å; H233-F813 PolarHBondContact ND1-O 2.8Å; H233-F813 VanDerWaalsContact ND1-O 3.09Å; L234-F813 HydrophobicContact CD1-CB 4.1Å; L234-F813 HydrophobicContact CD2-CB 4.04Å; L234-F813 HydrophobicContact CD2-CD1 4.45Å; L234-F813 HydrophobicContact CD2-CD2 3.28Å; L234-F813 HydrophobicContact CD2-CE2 3.76Å; L234-F813 HydrophobicContact CD2-CG 3.67Å; L234-F813 HydrophobicContact CG-CB 3.75Å; L234-F813 HydrophobicContact CG-CD2 3.98Å; L234-F813 HydrophobicContact CG-CG 3.84Å; T779-F813 HydrophobicContact CG2-CZ 4.49Å; L782-F813 HydrophobicContact CB-CE2 3.79Å; L782-F813 HydrophobicContact CB-CZ 4.41Å; R783-F813 HydrophobicContact CG-CE2 4.12Å; R783-F813 HydrophobicContact CG-CZ 4.17Å; F813-L849 CarbonylContact C-O 3.48Å; F813-L849 WeakPolarHBondContact CA-O 3.41Å; F813-L849 HydrophobicContact CD2-CB 3.61Å; F813-L849 HydrophobicContact CD2-CD1 3.83Å; F813-L849 HydrophobicContact CD2-CG 4.38Å; F813-L849 HydrophobicContact CE2-CB 4.17Å; F813-L849 HydrophobicContact CE2-CD1 4.45Å; F813-L849 HydrophobicContact CG-CB 4.39Å
814	H	93.1	Very high	86.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.8	176.5	-175.8	61.5	0	0	0	110.3	E831 E834 I838 L849 I850 D851	H814-E831 WeakPolarHBondContact CE1-CG 3.49Å; H814-E831 WeakPolarHBondContact NE2-CG 3.42Å; H814-E831 IonicContact NE2-OE1 3.51Å; H814-E834 IonicContact CE1-OE2 3.9Å; H814-E834 PolarHBondContact CE1-OE2 2.76Å; H814-E834 IonicContact ND1-OE2 3.9Å; H814-E834 PolarHBondContact ND1-OE2 2.91Å; H814-I838 HydrophobicContact CB-CD1 4Å; H814-L849 PolarHBondContact N-O 3.45Å; H814-I850 HydrophobicContact CB-CG1 4.34Å; H814-D851 PolarHBondContact O-N 2.97Å
815	T	89	Confident	85.4	Confident	30 Å²	30	52.3 Å²	52.3	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	169.3	177.6	-166.5	0	0	0	0	108.7	H233 G817	H233-T815 HydrophobicContact CB-CG2 4.13Å; T815-G817 PolarHBondContact O-N 2.88Å; T815-G817 VanDerWaalsContact O-N 3.15Å
816	E	80	Confident	84.9	Confident	102 Å²	102	54.9 Å²	54.9	48%	0.477	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-51.8	118.2	178.5	-64.1	-175.1	172.8	0	0	111.5	H855	E816-H855 WeakPolarHBondContact CB-CE1 3.47Å; E816-H855 VanDerWaalsContact CG-CE1 3.45Å; E816-H855 WeakPolarHBondContact CG-CE1 3.43Å; E816-H855 IonicContact OE1-CG 2.65Å; E816-H855 IonicContact OE2-NE2 2.79Å
817	G	71.8	Confident	84.5	Confident	13 Å²	13	54.4 Å²	54.4	13%	0.134	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-76.2	156.8	-177.6	0	0	0	0	0	113	T815 S827	T815-G817 PolarHBondContact O-N 2.88Å; T815-G817 VanDerWaalsContact O-N 3.15Å; G817-S827 VanDerWaalsContact O-CB 3.27Å; G817-S827 WeakPolarHBondContact O-CB 3.47Å
818	Q	74	Confident	84.2	Confident	153 Å²	153	54 Å²	54	72%	0.715	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-100.1	157.1	170.2	-64	-178.8	5.1	0	0	110.8	N830	Q818-N830 PolarHBondContact O-ND2 2.97Å; Q818-N830 VanDerWaalsContact O-ND2 3.16Å
819	D	77.7	Confident	83.8	Confident	104 Å²	104	56.6 Å²	56.6	56%	0.556	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-66.8	133.7	172.2	-65.7	-18.6	0	0	0	110.1	S827	D819-S827 WeakPolarHBondContact OD1-CB 3.33Å; D819-S827 PolarHBondContact OD1-N 3.35Å; D819-S827 PolarHBondContact OD1-OG 3.27Å
820	D	75.5	Confident	83.5	Confident	47 Å²	47	55.1 Å²	55.1	25%	0.251	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-98.1	94.6	171.2	-170.3	-26.4	0	0	0	109.2	I822 L823 G824 E825	D820-I822 PolarHBondContact O-N 3.3Å; D820-I822 WeakPolarHBondContact OD1-CA 3.31Å; D820-I822 WeakPolarHBondContact OD1-CB 3.43Å; D820-I822 PolarHBondContact OD1-N 3.12Å; D820-L823 HydrophobicContact CB-CB 4.28Å; D820-L823 PolarHBondContact O-N 3.48Å; D820-L823 PolarHBondContact OD1-N 2.84Å; D820-L823 VanDerWaalsContact OD2-CD1 3.25Å; D820-L823 WeakPolarHBondContact OD2-CD1 3.3Å; D820-L823 WeakPolarHBondContact OD2-CG 3.38Å; D820-G824 WeakPolarHBondContact O-CA 3.31Å; D820-G824 PolarHBondContact O-N 3.41Å; D820-E825 HydrophobicContact CB-CB 4.43Å; D820-E825 PolarHBondContact N-O 2.96Å; D820-E825 PolarHBondContact O-N 3.21Å
821	I	76.7	Confident	83.3	Confident	158 Å²	158	53.5 Å²	53.5	81%	0.81	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.6	179.6	-57.5	171.4	0	0	0	111.3
822	I	73.4	Confident	83	Confident	156 Å²	156	55.9 Å²	55.9	80%	0.8	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-40.9	-177.2	-59	174.7	0	0	0	110.1	D820	D820-I822 PolarHBondContact O-N 3.3Å; D820-I822 WeakPolarHBondContact OD1-CA 3.31Å; D820-I822 WeakPolarHBondContact OD1-CB 3.43Å; D820-I822 PolarHBondContact OD1-N 3.12Å
823	L	74.2	Confident	82.5	Confident	63 Å²	63	61.7 Å²	61.7	33%	0.33	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-13.4	176.5	-65.1	179.9	0	0	0	113.3	D820 E825	D820-L823 HydrophobicContact CB-CB 4.28Å; D820-L823 PolarHBondContact O-N 3.48Å; D820-L823 PolarHBondContact OD1-N 2.84Å; D820-L823 VanDerWaalsContact OD2-CD1 3.25Å; D820-L823 WeakPolarHBondContact OD2-CD1 3.3Å; D820-L823 WeakPolarHBondContact OD2-CG 3.38Å; L823-E825 HydrophobicContact CB-CB 4.45Å; L823-E825 HydrophobicContact CB-CG 3.81Å
824	G	77.3	Confident	82.1	Confident	70 Å²	70	62.5 Å²	62.5	72%	0.722	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	32.9	-175.4	0	0	0	0	0	112.3	D820	D820-G824 WeakPolarHBondContact O-CA 3.31Å; D820-G824 PolarHBondContact O-N 3.41Å
825	E	80.7	Confident	81.9	Confident	36 Å²	36	62.9 Å²	62.9	17%	0.168	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-112.2	128.2	-172.6	-61	-177.7	159.7	0	0	109.9	D820 L823 N830 R833	D820-E825 HydrophobicContact CB-CB 4.43Å; D820-E825 PolarHBondContact N-O 2.96Å; D820-E825 PolarHBondContact O-N 3.21Å; L823-E825 HydrophobicContact CB-CB 4.45Å; L823-E825 HydrophobicContact CB-CG 3.81Å; E825-N830 PolarHBondContact OE2-OD1 3.44Å; E825-R833 IonicContact OE1-CZ 3.58Å; E825-R833 IonicContact OE1-NH1 2.76Å; E825-R833 PolarHBondContact OE1-NH1 3.13Å; E825-R833 IonicContact OE1-NH2 3.65Å; E825-R833 PolarHBondContact OE1-NH2 3.49Å; E825-R833 IonicContact OE2-CZ 3.64Å; E825-R833 IonicContact OE2-NH1 3.72Å; E825-R833 PolarHBondContact OE2-NH1 3.12Å; E825-R833 IonicContact OE2-NH2 4Å
826	S	85.9	Confident	81.9	Confident	53 Å²	53	64.2 Å²	64.2	37%	0.371	35%	0.346	S	S	.	.			trans	-72.3	153.6	175.5	65.5	0	0	0	0	110.9	F828 V829 N830	S826-F828 VanDerWaalsContact C-N 3.25Å; S826-F828 PolarHBondContact O-N 2.92Å; S826-V829 PolarHBondContact O-N 3.49Å; S826-V829 WeakPolarHBondContact OG-CG2 3.44Å; S826-V829 PolarHBondContact OG-N 2.89Å; S826-N830 PolarHBondContact O-N 3.13Å
827	S	85.9	Confident	82.3	Confident	11 Å²	11	61 Å²	61	8%	0.077	33%	0.33	C	S	.	.	H	α-helix	trans	-46.9	-46	171.3	43.3	0	0	0	0	112.4	G817 D819 N830 E831 N856	G817-S827 VanDerWaalsContact O-CB 3.27Å; G817-S827 WeakPolarHBondContact O-CB 3.47Å; D819-S827 WeakPolarHBondContact OD1-CB 3.33Å; D819-S827 PolarHBondContact OD1-N 3.35Å; D819-S827 PolarHBondContact OD1-OG 3.27Å; S827-N830 WeakPolarHBondContact O-CB 3.48Å; S827-N830 PolarHBondContact O-N 3.18Å; S827-E831 VanDerWaalsContact O-CB 3.32Å; S827-E831 WeakPolarHBondContact O-CB 3.47Å; S827-E831 PolarHBondContact O-N 2.84Å; S827-N856 VanDerWaalsContact CB-ND2 3.29Å; S827-N856 WeakPolarHBondContact CB-ND2 3.23Å; S827-N856 PolarHBondContact OG-ND2 3.3Å
828	F	88.1	Confident	83.1	Confident	49 Å²	49	60.9 Å²	60.9	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-46.3	176.1	177.1	-110.6	0	0	0	112.9	S826 N830 E831 I832 C854 N856 T857 L865	S826-F828 VanDerWaalsContact C-N 3.25Å; S826-F828 PolarHBondContact O-N 2.92Å; F828-N830 VanDerWaalsContact C-N 3.29Å; F828-N830 PolarHBondContact O-N 2.89Å; F828-E831 WeakPolarHBondContact O-CB 3.16Å; F828-E831 PolarHBondContact O-N 3.15Å; F828-I832 HydrophobicContact CD1-CG1 4.45Å; F828-I832 HydrophobicContact CD2-CG1 4.2Å; F828-I832 HydrophobicContact CE1-CG1 4.05Å; F828-I832 HydrophobicContact CE2-CD1 3.83Å; F828-I832 HydrophobicContact CE2-CG1 3.76Å; F828-I832 HydrophobicContact CZ-CD1 3.92Å; F828-I832 HydrophobicContact CZ-CG1 3.69Å; F828-I832 WeakPolarHBondContact O-CG1 3.47Å; F828-I832 PolarHBondContact O-N 3.25Å; F828-C854 HydrophobicContact CD2-CB 4.39Å; F828-C854 HydrophobicContact CE2-CB 3.91Å; F828-N856 HydrophobicContact CB-CB 4.3Å; F828-T857 WeakPolarHBondContact CD1-OG1 3.3Å; F828-T857 WeakPolarHBondContact CD2-OG1 3.37Å; F828-T857 HydrophobicContact CE2-CG2 4.32Å; F828-T857 WeakPolarHBondContact CE2-OG1 3.42Å; F828-T857 WeakPolarHBondContact CG-OG1 3.41Å; F828-T857 HydrophobicContact CZ-CG2 4.21Å; F828-L865 HydrophobicContact CE2-CD2 4.31Å; F828-L865 HydrophobicContact CZ-CD2 4.17Å
829	V	87.1	Confident	83.9	Confident	56 Å²	56	56.4 Å²	56.4	34%	0.339	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-38.1	178.6	172.4	0	0	0	0	110.9	S826 R833	S826-V829 PolarHBondContact O-N 3.49Å; S826-V829 WeakPolarHBondContact OG-CG2 3.44Å; S826-V829 PolarHBondContact OG-N 2.89Å; V829-R833 VanDerWaalsContact O-CG 3.29Å; V829-R833 WeakPolarHBondContact O-CG 3.27Å; V829-R833 PolarHBondContact O-N 3.27Å; V829-R833 VanDerWaalsContact O-N 3.13Å
830	N	84.3	Confident	84.4	Confident	16 Å²	16	58.2 Å²	58.2	9%	0.086	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-43.7	174.4	-74	-24.7	0	0	0	111.5	Q818 E825 S826 S827 F828 R833 E834	Q818-N830 PolarHBondContact O-ND2 2.97Å; Q818-N830 VanDerWaalsContact O-ND2 3.16Å; E825-N830 PolarHBondContact OE2-OD1 3.44Å; S826-N830 PolarHBondContact O-N 3.13Å; S827-N830 WeakPolarHBondContact O-CB 3.48Å; S827-N830 PolarHBondContact O-N 3.18Å; F828-N830 VanDerWaalsContact C-N 3.29Å; F828-N830 PolarHBondContact O-N 2.89Å; N830-R833 PolarHBondContact O-N 3.38Å; N830-E834 WeakPolarHBondContact O-CG 3.38Å; N830-E834 PolarHBondContact O-N 3.14Å
831	E	88.3	Confident	84.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.2	-52.6	177.3	-159.8	179.2	-178.9	0	0	111.3	H814 S827 F828 R833 E834 L835 L853 C854 H855	H814-E831 WeakPolarHBondContact CE1-CG 3.49Å; H814-E831 WeakPolarHBondContact NE2-CG 3.42Å; H814-E831 IonicContact NE2-OE1 3.51Å; S827-E831 VanDerWaalsContact O-CB 3.32Å; S827-E831 WeakPolarHBondContact O-CB 3.47Å; S827-E831 PolarHBondContact O-N 2.84Å; F828-E831 WeakPolarHBondContact O-CB 3.16Å; F828-E831 PolarHBondContact O-N 3.15Å; E831-R833 VanDerWaalsContact C-N 3.29Å; E831-R833 PolarHBondContact O-N 3.4Å; E831-E834 WeakPolarHBondContact O-CB 3.39Å; E831-E834 PolarHBondContact O-N 2.96Å; E831-E834 VanDerWaalsContact O-N 3.14Å; E831-L835 HydrophobicContact CG-CD1 4.45Å; E831-L835 WeakPolarHBondContact O-CG 3.47Å; E831-L835 PolarHBondContact O-N 2.88Å; E831-L853 WeakPolarHBondContact OE1-CA 3.38Å; E831-C854 VanDerWaalsContact CD-N 3.27Å; E831-C854 PolarHBondContact OE1-N 2.95Å; E831-C854 VanDerWaalsContact OE2-CA 3.32Å; E831-C854 WeakPolarHBondContact OE2-CA 3.36Å; E831-C854 PolarHBondContact OE2-N 3.24Å; E831-H855 IonicContact OE1-ND1 3.8Å; E831-H855 IonicContact OE2-ND1 3.65Å
832	I	89.4	Confident	85.5	Confident	50 Å²	50	51.5 Å²	51.5	26%	0.256	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-37.5	178.6	-65	-61.2	0	0	0	112	F828 L835 T836 L865	F828-I832 HydrophobicContact CD1-CG1 4.45Å; F828-I832 HydrophobicContact CD2-CG1 4.2Å; F828-I832 HydrophobicContact CE1-CG1 4.05Å; F828-I832 HydrophobicContact CE2-CD1 3.83Å; F828-I832 HydrophobicContact CE2-CG1 3.76Å; F828-I832 HydrophobicContact CZ-CD1 3.92Å; F828-I832 HydrophobicContact CZ-CG1 3.69Å; F828-I832 WeakPolarHBondContact O-CG1 3.47Å; F828-I832 PolarHBondContact O-N 3.25Å; I832-L835 PolarHBondContact O-N 2.92Å; I832-T836 VanDerWaalsContact O-CB 3.31Å; I832-T836 WeakPolarHBondContact O-CB 3.44Å; I832-T836 PolarHBondContact O-N 2.91Å; I832-T836 PolarHBondContact O-OG1 2.9Å; I832-L865 HydrophobicContact CD1-CD2 4.16Å
833	R	85.2	Confident	86.3	Confident	126 Å²	126	45.5 Å²	45.5	48%	0.475	25%	0.248	S	C	.	.	H	α-helix	trans	-69.5	-36.4	177.3	-74.3	175.1	-177.6	-177.7	8.2	112.7	E825 V829 N830 E831 Y837	E825-R833 IonicContact OE1-CZ 3.58Å; E825-R833 IonicContact OE1-NH1 2.76Å; E825-R833 PolarHBondContact OE1-NH1 3.13Å; E825-R833 IonicContact OE1-NH2 3.65Å; E825-R833 PolarHBondContact OE1-NH2 3.49Å; E825-R833 IonicContact OE2-CZ 3.64Å; E825-R833 IonicContact OE2-NH1 3.72Å; E825-R833 PolarHBondContact OE2-NH1 3.12Å; E825-R833 IonicContact OE2-NH2 4Å; V829-R833 VanDerWaalsContact O-CG 3.29Å; V829-R833 WeakPolarHBondContact O-CG 3.27Å; V829-R833 PolarHBondContact O-N 3.27Å; V829-R833 VanDerWaalsContact O-N 3.13Å; N830-R833 PolarHBondContact O-N 3.38Å; E831-R833 VanDerWaalsContact C-N 3.29Å; E831-R833 PolarHBondContact O-N 3.4Å; R833-Y837 WeakPolarHBondContact O-CB 3.41Å; R833-Y837 PolarHBondContact O-N 3.29Å
834	E	86.8	Confident	87.1	Confident	20 Å²	20	51.4 Å²	51.4	9%	0.093	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-47.7	172.8	-73.3	178.3	-157.8	0	0	111.1	K229 H233 H814 N830 E831 T836 Y837 I838	K229-E834 HydrophobicContact CD-CG 3.79Å; K229-E834 VanDerWaalsContact CD-OE1 3.22Å; K229-E834 WeakPolarHBondContact CD-OE1 3.46Å; K229-E834 WeakPolarHBondContact CE-OE1 3.39Å; K229-E834 IonicContact NZ-OE1 3.88Å; K229-E834 PolarHBondContact NZ-OE1 2.9Å; H233-E834 IonicContact CE1-OE2 3.13Å; H814-E834 IonicContact CE1-OE2 3.9Å; H814-E834 PolarHBondContact CE1-OE2 2.76Å; H814-E834 IonicContact ND1-OE2 3.9Å; H814-E834 PolarHBondContact ND1-OE2 2.91Å; N830-E834 WeakPolarHBondContact O-CG 3.38Å; N830-E834 PolarHBondContact O-N 3.14Å; E831-E834 WeakPolarHBondContact O-CB 3.39Å; E831-E834 PolarHBondContact O-N 2.96Å; E831-E834 VanDerWaalsContact O-N 3.14Å; E834-T836 VanDerWaalsContact C-N 3.32Å; E834-T836 PolarHBondContact O-N 3.43Å; E834-Y837 WeakPolarHBondContact O-CB 3.26Å; E834-Y837 PolarHBondContact O-N 2.57Å; E834-Y837 VanDerWaalsContact O-N 3.1Å; E834-I838 WeakPolarHBondContact O-CG1 3.34Å; E834-I838 PolarHBondContact O-N 2.7Å
835	L	89.7	Confident	87.8	Confident	8 Å²	8	50 Å²	50	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-42.6	176.2	-67.7	170.4	0	0	0	111.5	E831 I832 Y837 I838 L839 L853 I869	E831-L835 HydrophobicContact CG-CD1 4.45Å; E831-L835 WeakPolarHBondContact O-CG 3.47Å; E831-L835 PolarHBondContact O-N 2.88Å; I832-L835 PolarHBondContact O-N 2.92Å; L835-Y837 VanDerWaalsContact C-N 3.31Å; L835-Y837 PolarHBondContact O-N 2.91Å; L835-I838 PolarHBondContact O-N 2.82Å; L835-L839 WeakPolarHBondContact O-CB 3.21Å; L835-L839 VanDerWaalsContact O-CG 3.31Å; L835-L839 WeakPolarHBondContact O-CG 3.42Å; L835-L839 PolarHBondContact O-N 3.25Å; L835-L853 HydrophobicContact CD1-CD2 3.74Å; L835-L853 HydrophobicContact CD2-CD2 3.74Å; L835-L853 HydrophobicContact CG-CD2 4.39Å; L835-I869 HydrophobicContact CD1-CD1 4.29Å
836	T	88.8	Confident	88.4	Confident	57 Å²	57	48.2 Å²	48.2	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-42.8	174.1	-58.9	0	0	0	0	111.2	I832 E834 Q840	I832-T836 VanDerWaalsContact O-CB 3.31Å; I832-T836 WeakPolarHBondContact O-CB 3.44Å; I832-T836 PolarHBondContact O-N 2.91Å; I832-T836 PolarHBondContact O-OG1 2.9Å; E834-T836 VanDerWaalsContact C-N 3.32Å; E834-T836 PolarHBondContact O-N 3.43Å; T836-Q840 WeakPolarHBondContact O-CB 3.5Å; T836-Q840 VanDerWaalsContact O-CG 3.24Å; T836-Q840 WeakPolarHBondContact O-CG 3.38Å; T836-Q840 PolarHBondContact O-N 2.83Å; T836-Q840 VanDerWaalsContact O-N 3.07Å
837	Y	87.6	Confident	88.9	Confident	36 Å²	36	45.8 Å²	45.8	14%	0.141	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-43.5	176.2	170.5	-100.9	0	0	0	111.9	S106 S108 D227 F812 R833 E834 L835 Q840 N841	S106-Y837 WeakPolarHBondContact OG-CE2 3.09Å; S108-Y837 WeakPolarHBondContact CB-OH 3.5Å; S108-Y837 PolarHBondContact OG-OH 2.92Å; D227-Y837 HydrophobicContact CB-CE1 4.17Å; F812-Y837 HydrophobicContact CD1-CE1 4.42Å; F812-Y837 HydrophobicContact CE1-CD1 4.42Å; F812-Y837 AromaticContact CE1-CE1 3.83Å; F812-Y837 HydrophobicContact CE1-CE1 3.83Å; R833-Y837 WeakPolarHBondContact O-CB 3.41Å; R833-Y837 PolarHBondContact O-N 3.29Å; E834-Y837 WeakPolarHBondContact O-CB 3.26Å; E834-Y837 PolarHBondContact O-N 2.57Å; E834-Y837 VanDerWaalsContact O-N 3.1Å; L835-Y837 VanDerWaalsContact C-N 3.31Å; L835-Y837 PolarHBondContact O-N 2.91Å; Y837-Q840 PolarHBondContact O-N 3.23Å; Y837-N841 WeakPolarHBondContact CD2-ND2 3.37Å; Y837-N841 WeakPolarHBondContact CE2-ND2 3.39Å; Y837-N841 PolarHBondContact O-N 2.66Å; Y837-N841 PolarHBondContact O-ND2 3.37Å
838	I	89.8	Confident	89.4	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.051	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-53.7	176.5	-66.1	167.6	0	0	0	109.5	F812 H814 E834 L835 Q840 N841 F842 I848	F812-I838 HydrophobicContact CB-CD1 4.17Å; F812-I838 HydrophobicContact CB-CG1 4.1Å; F812-I838 HydrophobicContact CB-CG2 4.36Å; F812-I838 HydrophobicContact CD1-CG1 3.79Å; F812-I838 HydrophobicContact CD2-CG2 4.27Å; F812-I838 HydrophobicContact CE1-CG1 4.4Å; F812-I838 HydrophobicContact CG-CG1 4.03Å; F812-I838 HydrophobicContact CG-CG2 4.15Å; H814-I838 HydrophobicContact CB-CD1 4Å; E834-I838 WeakPolarHBondContact O-CG1 3.34Å; E834-I838 PolarHBondContact O-N 2.7Å; L835-I838 PolarHBondContact O-N 2.82Å; I838-Q840 PolarHBondContact O-N 3.44Å; I838-Q840 VanDerWaalsContact O-N 3.16Å; I838-N841 PolarHBondContact O-N 2.8Å; I838-N841 VanDerWaalsContact O-N 3.07Å; I838-F842 WeakPolarHBondContact O-CB 3.29Å; I838-F842 WeakPolarHBondContact O-CD1 2.89Å; I838-F842 PolarHBondContact O-N 2.88Å; I838-I848 HydrophobicContact CG2-CD1 4.1Å; I838-I848 HydrophobicContact CG2-CG1 4.38Å; I838-I848 HydrophobicContact CG2-CG2 4.05Å
839	L	90.5	Very high	89.9	Confident	58 Å²	58	42.9 Å²	42.9	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-57.2	-31.1	-179.2	-72.6	170.7	0	0	0	113.4	L835 F842 A872 L873	L835-L839 WeakPolarHBondContact O-CB 3.21Å; L835-L839 VanDerWaalsContact O-CG 3.31Å; L835-L839 WeakPolarHBondContact O-CG 3.42Å; L835-L839 PolarHBondContact O-N 3.25Å; L839-F842 HydrophobicContact CD2-CE1 4.31Å; L839-F842 WeakPolarHBondContact O-CD1 3.24Å; L839-F842 VanDerWaalsContact O-CE1 3.31Å; L839-F842 WeakPolarHBondContact O-CE1 3.49Å; L839-A872 HydrophobicContact CD2-CB 4.11Å; L839-L873 HydrophobicContact CD2-CD2 3.57Å; L839-L873 HydrophobicContact CD2-CG 3.94Å
840	Q	87.5	Confident	90.3	Very high	142 Å²	142	40.3 Å²	40.3	66%	0.664	19%	0.19	S	C	*	.	H	α-helix	trans	-82.6	-22.4	179.4	-74.1	175.7	-0.6	0	0	114.4	T836 Y837 I838	T836-Q840 WeakPolarHBondContact O-CB 3.5Å; T836-Q840 VanDerWaalsContact O-CG 3.24Å; T836-Q840 WeakPolarHBondContact O-CG 3.38Å; T836-Q840 PolarHBondContact O-N 2.83Å; T836-Q840 VanDerWaalsContact O-N 3.07Å; Y837-Q840 PolarHBondContact O-N 3.23Å; I838-Q840 PolarHBondContact O-N 3.44Å; I838-Q840 VanDerWaalsContact O-N 3.16Å
841	N	85.6	Confident	90.7	Very high	45 Å²	45	40.3 Å²	40.3	24%	0.241	19%	0.19	C	C	.	.	H	α-helix	trans	-119	-16.2	-167.2	-67.5	-79.6	0	0	0	114.8	Q810 F812 Y837 I838	Q810-N841 PolarHBondContact NE2-O 3.11Å; Q810-N841 PolarHBondContact OE1-O 3.2Å; F812-N841 HydrophobicContact CZ-CB 4.32Å; Y837-N841 WeakPolarHBondContact CD2-ND2 3.37Å; Y837-N841 WeakPolarHBondContact CE2-ND2 3.39Å; Y837-N841 PolarHBondContact O-N 2.66Å; Y837-N841 PolarHBondContact O-ND2 3.37Å; I838-N841 PolarHBondContact O-N 2.8Å; I838-N841 VanDerWaalsContact O-N 3.07Å
842	F	89.8	Confident	90.7	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.088	20%	0.195	C	C	.	.			trans	-68	154.3	-177.7	82.2	-77.2	0	0	0	113.2	F812 I838 L839 I848 L873 H876 A878	F812-F842 HydrophobicContact CD2-CB 4.33Å; F812-F842 HydrophobicContact CE2-CB 3.67Å; F812-F842 HydrophobicContact CZ-CB 4.35Å; I838-F842 WeakPolarHBondContact O-CB 3.29Å; I838-F842 WeakPolarHBondContact O-CD1 2.89Å; I838-F842 PolarHBondContact O-N 2.88Å; L839-F842 HydrophobicContact CD2-CE1 4.31Å; L839-F842 WeakPolarHBondContact O-CD1 3.24Å; L839-F842 VanDerWaalsContact O-CE1 3.31Å; L839-F842 WeakPolarHBondContact O-CE1 3.49Å; F842-I848 HydrophobicContact CB-CD1 4.01Å; F842-I848 HydrophobicContact CD2-CD1 3.73Å; F842-I848 HydrophobicContact CE2-CD1 4.25Å; F842-I848 HydrophobicContact CG-CD1 3.93Å; F842-L873 HydrophobicContact CZ-CD2 4.37Å; F842-H876 HydrophobicContact CD2-CB 4.48Å; F842-H876 HydrophobicContact CE2-CB 3.32Å; F842-H876 AromaticContact CE2-CD2 3.94Å; F842-H876 AromaticContact CE2-CG 3.4Å; F842-H876 VanDerWaalsContact CE2-CG 3.4Å; F842-H876 AromaticContact CE2-ND1 3.71Å; F842-H876 HydrophobicContact CZ-CB 3.68Å; F842-H876 AromaticContact CZ-CD2 3.33Å; F842-H876 WeakPolarHBondContact CZ-CD2 3.39Å; F842-H876 AromaticContact CZ-CE1 3.86Å; F842-H876 AromaticContact CZ-CG 3.29Å; F842-H876 AromaticContact CZ-ND1 3.64Å; F842-H876 AromaticContact CZ-NE2 3.7Å; F842-A878 HydrophobicContact CD2-CB 3.77Å; F842-A878 HydrophobicContact CE2-CB 3.96Å
843	S	89.4	Confident	90.5	Very high	29 Å²	29	39 Å²	39	20%	0.203	19%	0.186	C	C	.	.			trans	-121.1	174.6	179.6	91.2	0	0	0	0	111.3	D809 S845 S846 A878	D809-S843 PolarHBondContact OD1-OG 3.37Å; D809-S843 VanDerWaalsContact OD2-CB 3.24Å; D809-S843 WeakPolarHBondContact OD2-CB 3.31Å; D809-S843 PolarHBondContact OD2-OG 3.11Å; S843-S845 PolarHBondContact O-N 3.37Å; S843-S845 PolarHBondContact OG-N 3.46Å; S843-S845 PolarHBondContact OG-OG 3.4Å; S843-S845 VanDerWaalsContact OG-OG 3.1Å; S843-S846 PolarHBondContact N-OG 2.94Å; S843-S846 WeakPolarHBondContact O-CB 3.45Å; S843-S846 PolarHBondContact O-N 3.44Å; S843-S846 PolarHBondContact O-OG 2.87Å; S843-S846 PolarHBondContact OG-OG 3.45Å; S843-S846 VanDerWaalsContact OG-OG 3.11Å; S843-A878 WeakPolarHBondContact O-CB 3.48Å
844	R	91.2	Very high	90.4	Very high	188 Å²	188	33 Å²	33	71%	0.709	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.5	177.6	-68.2	-178.5	178.2	142.3	0.2	113.3	R806 K877	R806-R844 PolarHBondContact NH1-O 2.93Å; R806-R844 PolarHBondContact NH2-O 3.04Å; R844-K877 CarbonylContact O-C 3.48Å; R844-K877 VanDerWaalsContact O-O 3.06Å
845	S	91.8	Very high	90	Very high	39 Å²	39	34.9 Å²	34.9	27%	0.273	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.9	178.6	42.8	0	0	0	0	113.2	R806 T808 D809 S843	R806-S845 PolarHBondContact NH2-O 2.91Å; T808-S845 WeakPolarHBondContact CG2-O 3.37Å; T808-S845 PolarHBondContact OG1-O 3.17Å; D809-S845 VanDerWaalsContact OD1-C 3.32Å; D809-S845 WeakPolarHBondContact OD1-CB 3.4Å; D809-S845 PolarHBondContact OD1-OG 3.48Å; S843-S845 PolarHBondContact O-N 3.37Å; S843-S845 PolarHBondContact OG-N 3.46Å; S843-S845 PolarHBondContact OG-OG 3.4Å; S843-S845 VanDerWaalsContact OG-OG 3.1Å
846	S	94.4	Very high	89.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.			trans	-68.3	152.6	-177.3	-54.6	0	0	0	0	113.2	R806 D809 Q810 S843 F879	R806-S846 PolarHBondContact NH2-O 3.02Å; D809-S846 PolarHBondContact OD1-N 3.18Å; D809-S846 PolarHBondContact OD1-OG 3.17Å; Q810-S846 VanDerWaalsContact O-CA 3.29Å; Q810-S846 WeakPolarHBondContact O-CA 3.13Å; S843-S846 PolarHBondContact N-OG 2.94Å; S843-S846 WeakPolarHBondContact O-CB 3.45Å; S843-S846 PolarHBondContact O-N 3.44Å; S843-S846 PolarHBondContact O-OG 2.87Å; S843-S846 PolarHBondContact OG-OG 3.45Å; S843-S846 VanDerWaalsContact OG-OG 3.11Å; S846-F879 PolarHBondContact O-N 2.83Å
847	I	96.5	Very high	89.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.9	169.1	-70.5	168.8	0	0	0	108	Q789 T808 Q810 I811 F812 L849 F879	Q789-I847 HydrophobicContact CB-CD1 4.34Å; Q789-I847 HydrophobicContact CG-CD1 3.68Å; T808-I847 HydrophobicContact CG2-CB 4.22Å; T808-I847 HydrophobicContact CG2-CD1 4.07Å; T808-I847 HydrophobicContact CG2-CG1 3.99Å; T808-I847 VanDerWaalsContact OG1-CD1 3.3Å; T808-I847 WeakPolarHBondContact OG1-CD1 3.29Å; Q810-I847 PolarHBondContact O-N 3.36Å; I811-I847 WeakPolarHBondContact CA-O 3.44Å; F812-I847 PolarHBondContact N-O 3.43Å; I847-L849 HydrophobicContact CG2-CD1 4.35Å; I847-L849 HydrophobicContact CG2-CD2 3.96Å; I847-L849 HydrophobicContact CG2-CG 3.93Å; I847-F879 CarbonylContact C-O 3.02Å; I847-F879 WeakPolarHBondContact CA-O 3.35Å; I847-F879 HydrophobicContact CG1-CB 4.18Å; I847-F879 HydrophobicContact CG1-CD2 4.5Å
848	I	96.9	Very high	89.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.6	-177.8	-54.4	174.6	0	0	0	107.6	F812 I838 F842 I850 L873 A878 F879 T880 F881	F812-I848 HydrophobicContact CD2-CG1 4.13Å; I838-I848 HydrophobicContact CG2-CD1 4.1Å; I838-I848 HydrophobicContact CG2-CG1 4.38Å; I838-I848 HydrophobicContact CG2-CG2 4.05Å; F842-I848 HydrophobicContact CB-CD1 4.01Å; F842-I848 HydrophobicContact CD2-CD1 3.73Å; F842-I848 HydrophobicContact CE2-CD1 4.25Å; F842-I848 HydrophobicContact CG-CD1 3.93Å; I848-I850 HydrophobicContact CG2-CD1 3.91Å; I848-I850 HydrophobicContact CG2-CG1 3.92Å; I848-L873 HydrophobicContact CD1-CD2 3.83Å; I848-A878 HydrophobicContact CD1-CB 4.09Å; I848-F879 PolarHBondContact N-O 3.28Å; I848-T880 HydrophobicContact CB-CG2 4.28Å; I848-T880 HydrophobicContact CG2-CG2 4.35Å; I848-T880 CarbonylContact O-C 3.54Å; I848-T880 VanDerWaalsContact O-CA 3.3Å; I848-T880 WeakPolarHBondContact O-CA 3.14Å; I848-F881 PolarHBondContact O-N 3.35Å
849	L	97	Very high	88.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.9	-179.5	-56.2	170.8	0	0	0	107.7	L782 I785 A786 F812 F813 H814 I847 F881	L782-L849 HydrophobicContact CD2-CD2 4.15Å; I785-L849 HydrophobicContact CB-CD2 4.48Å; I785-L849 HydrophobicContact CG2-CD2 4.27Å; A786-L849 HydrophobicContact CB-CD1 3.58Å; F812-L849 PolarHBondContact O-N 2.75Å; F813-L849 CarbonylContact C-O 3.48Å; F813-L849 WeakPolarHBondContact CA-O 3.41Å; F813-L849 HydrophobicContact CD2-CB 3.61Å; F813-L849 HydrophobicContact CD2-CD1 3.83Å; F813-L849 HydrophobicContact CD2-CG 4.38Å; F813-L849 HydrophobicContact CE2-CB 4.17Å; F813-L849 HydrophobicContact CE2-CD1 4.45Å; F813-L849 HydrophobicContact CG-CB 4.39Å; H814-L849 PolarHBondContact N-O 3.45Å; I847-L849 HydrophobicContact CG2-CD1 4.35Å; I847-L849 HydrophobicContact CG2-CD2 3.96Å; I847-L849 HydrophobicContact CG2-CG 3.93Å; L849-F881 HydrophobicContact CD2-CB 3.88Å; L849-F881 HydrophobicContact CD2-CD2 3.6Å; L849-F881 HydrophobicContact CD2-CG 4.04Å
850	I	95.5	Very high	88.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117	-174.1	-63.7	170.7	0	0	0	108	L782 H814 I848 G852 L853 L873 T880 F881 L882 A883	L782-I850 WeakPolarHBondContact CD1-O 3.34Å; H814-I850 HydrophobicContact CB-CG1 4.34Å; I848-I850 HydrophobicContact CG2-CD1 3.91Å; I848-I850 HydrophobicContact CG2-CG1 3.92Å; I850-G852 WeakPolarHBondContact CG2-O 3.26Å; I850-L853 HydrophobicContact CG2-CD1 4.31Å; I850-L853 HydrophobicContact CG2-CD2 3.51Å; I850-L853 HydrophobicContact CG2-CG 3.6Å; I850-L873 HydrophobicContact CD1-CD1 3.76Å; I850-T880 HydrophobicContact CD1-CG2 4.39Å; I850-F881 PolarHBondContact N-O 2.86Å; I850-L882 HydrophobicContact CB-CD1 3.89Å; I850-L882 HydrophobicContact CG2-CD1 3.43Å; I850-L882 VanDerWaalsContact CG2-CD1 3.43Å; I850-A883 PolarHBondContact O-N 2.87Å
851	D	93	Very high	88.4	Confident	17 Å²	17	44 Å²	44	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	89.6	176.7	-164.4	17.6	0	0	0	110.6	T779 L782 H814	T779-D851 WeakPolarHBondContact CA-OD2 3.32Å; T779-D851 WeakPolarHBondContact CB-OD2 3.28Å; T779-D851 WeakPolarHBondContact CG2-OD2 3.49Å; T779-D851 PolarHBondContact OG1-OD2 3.33Å; L782-D851 HydrophobicContact CD1-CB 3.76Å; H814-D851 PolarHBondContact O-N 2.97Å
852	G	87.5	Confident	88.5	Confident	11 Å²	11	42 Å²	42	11%	0.113	22%	0.216	C	C	.	.			trans	85.7	152.9	-171.3	0	0	0	0	0	113.3	I850 A883	I850-G852 WeakPolarHBondContact CG2-O 3.26Å; G852-A883 PolarHBondContact N-O 3.05Å
853	L	85.7	Confident	88.3	Confident	10 Å²	10	44.6 Å²	44.6	5%	0.052	23%	0.229	C	C	.	.			trans	-143.9	128.5	174.5	-75.4	175.7	0	0	0	111.2	E831 L835 I850 H855 N866 L882	E831-L853 WeakPolarHBondContact OE1-CA 3.38Å; L835-L853 HydrophobicContact CD1-CD2 3.74Å; L835-L853 HydrophobicContact CD2-CD2 3.74Å; L835-L853 HydrophobicContact CG-CD2 4.39Å; I850-L853 HydrophobicContact CG2-CD1 4.31Å; I850-L853 HydrophobicContact CG2-CD2 3.51Å; I850-L853 HydrophobicContact CG2-CG 3.6Å; L853-H855 VanDerWaalsContact C-N 3.34Å; L853-H855 PolarHBondContact O-N 3.4Å; L853-N866 VanDerWaalsContact CB-OD1 3.26Å; L853-N866 WeakPolarHBondContact CB-OD1 3.38Å; L853-N866 HydrophobicContact CD1-CB 4.41Å; L853-N866 PolarHBondContact O-ND2 3.18Å; L853-L882 HydrophobicContact CD1-CD1 3.52Å; L853-L882 HydrophobicContact CD1-CD2 4.03Å; L853-L882 HydrophobicContact CD1-CG 4.45Å; L853-L882 HydrophobicContact CG-CD1 3.75Å
854	C	83.2	Confident	88.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	50.9	43.3	169.9	-58.9	0	0	0	0	114.1	F828 E831 N856 V862 L865	F828-C854 HydrophobicContact CD2-CB 4.39Å; F828-C854 HydrophobicContact CE2-CB 3.91Å; E831-C854 VanDerWaalsContact CD-N 3.27Å; E831-C854 PolarHBondContact OE1-N 2.95Å; E831-C854 VanDerWaalsContact OE2-CA 3.32Å; E831-C854 WeakPolarHBondContact OE2-CA 3.36Å; E831-C854 PolarHBondContact OE2-N 3.24Å; C854-N856 PolarHBondContact O-N 3.3Å; C854-V862 HydrophobicContact CB-CG1 4Å; C854-V862 HydrophobicContact CB-CG2 3.99Å; C854-V862 WeakPolarHBondContact O-CG1 3.47Å; C854-V862 WeakPolarHBondContact O-CG2 3.2Å; C854-L865 HydrophobicContact CB-CD2 4.43Å
855	H	78.4	Confident	88.3	Confident	61 Å²	61	45.2 Å²	45.2	28%	0.282	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.9	-172.8	64.8	-68.7	0	0	0	114.6	E816 E831 L853 T857	E816-H855 WeakPolarHBondContact CB-CE1 3.47Å; E816-H855 VanDerWaalsContact CG-CE1 3.45Å; E816-H855 WeakPolarHBondContact CG-CE1 3.43Å; E816-H855 IonicContact OE1-CG 2.65Å; E816-H855 IonicContact OE2-NE2 2.79Å; E831-H855 IonicContact OE1-ND1 3.8Å; E831-H855 IonicContact OE2-ND1 3.65Å; L853-H855 VanDerWaalsContact C-N 3.34Å; L853-H855 PolarHBondContact O-N 3.4Å; H855-T857 VanDerWaalsContact C-N 3.34Å; H855-T857 PolarHBondContact O-N 3.13Å
856	N	80	Confident	88.3	Confident	76 Å²	76	43.4 Å²	43.4	41%	0.406	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	34.1	-174.9	-67.3	-29.7	0	0	0	113.7	S827 F828 C854	S827-N856 VanDerWaalsContact CB-ND2 3.29Å; S827-N856 WeakPolarHBondContact CB-ND2 3.23Å; S827-N856 PolarHBondContact OG-ND2 3.3Å; F828-N856 HydrophobicContact CB-CB 4.3Å; C854-N856 PolarHBondContact O-N 3.3Å
857	T	84.6	Confident	88.2	Confident	43 Å²	43	46.2 Å²	46.2	26%	0.264	23%	0.23	S	C	.	.	S	Bend	trans	-141.8	173.2	179.6	-68.7	0	0	0	0	110.3	F828 H855 V862	F828-T857 WeakPolarHBondContact CD1-OG1 3.3Å; F828-T857 WeakPolarHBondContact CD2-OG1 3.37Å; F828-T857 HydrophobicContact CE2-CG2 4.32Å; F828-T857 WeakPolarHBondContact CE2-OG1 3.42Å; F828-T857 WeakPolarHBondContact CG-OG1 3.41Å; F828-T857 HydrophobicContact CZ-CG2 4.21Å; H855-T857 VanDerWaalsContact C-N 3.34Å; H855-T857 PolarHBondContact O-N 3.13Å; T857-V862 HydrophobicContact CG2-CG2 4.15Å
858	D	85.5	Confident	88.1	Confident	78 Å²	78	48.6 Å²	48.6	42%	0.417	25%	0.25	S	C	.	.			trans	-50.6	124.6	179.2	-169.3	-66.2	0	0	0	111.4	D860 E861 V862	D858-D860 PolarHBondContact O-N 3.06Å; D858-D860 WeakPolarHBondContact OD1-CB 3.4Å; D858-D860 PolarHBondContact OD1-N 3.16Å; D858-E861 HydrophobicContact CB-CB 4.31Å; D858-E861 HydrophobicContact CB-CG 4.21Å; D858-E861 PolarHBondContact O-N 3.41Å; D858-V862 WeakPolarHBondContact O-CB 3.22Å; D858-V862 WeakPolarHBondContact O-CG2 3.45Å; D858-V862 PolarHBondContact O-N 3.28Å
859	P	81.2	Confident	87.9	Confident	62 Å²	62	49.4 Å²	49.4	40%	0.403	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-30.3	-174.1	26.7	-35.7	0	0	0	113.6	E863	P859-E863 PolarHBondContact O-N 3.2Å
860	D	83.2	Confident	87.7	Confident	115 Å²	115	49.5 Å²	49.5	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-75.2	-42.1	-177.9	-63	-17.9	0	0	0	110.1	D858 V862 Y864	D858-D860 PolarHBondContact O-N 3.06Å; D858-D860 WeakPolarHBondContact OD1-CB 3.4Å; D858-D860 PolarHBondContact OD1-N 3.16Å; D860-V862 VanDerWaalsContact C-N 3.34Å; D860-Y864 WeakPolarHBondContact O-CD2 3.31Å
861	E	87	Confident	87.6	Confident	129 Å²	129	52.8 Å²	52.8	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-67.9	-36.4	175.7	-64.1	-169.2	166.9	0	0	112	D858 E863 Y864 L865	D858-E861 HydrophobicContact CB-CB 4.31Å; D858-E861 HydrophobicContact CB-CG 4.21Å; D858-E861 PolarHBondContact O-N 3.41Å; E861-E863 VanDerWaalsContact C-N 3.3Å; E861-E863 PolarHBondContact O-N 2.95Å; E861-Y864 PolarHBondContact O-N 2.85Å; E861-L865 WeakPolarHBondContact O-CB 3.25Å; E861-L865 PolarHBondContact O-N 3.38Å
862	V	87	Confident	87.5	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-33.9	-178.7	166.1	0	0	0	0	112.3	C854 T857 D858 D860 N866	C854-V862 HydrophobicContact CB-CG1 4Å; C854-V862 HydrophobicContact CB-CG2 3.99Å; C854-V862 WeakPolarHBondContact O-CG1 3.47Å; C854-V862 WeakPolarHBondContact O-CG2 3.2Å; T857-V862 HydrophobicContact CG2-CG2 4.15Å; D858-V862 WeakPolarHBondContact O-CB 3.22Å; D858-V862 WeakPolarHBondContact O-CG2 3.45Å; D858-V862 PolarHBondContact O-N 3.28Å; D860-V862 VanDerWaalsContact C-N 3.34Å; V862-N866 WeakPolarHBondContact CG1-ND2 3.35Å; V862-N866 WeakPolarHBondContact O-CB 3.16Å; V862-N866 PolarHBondContact O-N 3.47Å; V862-N866 PolarHBondContact O-ND2 3.17Å
863	E	85.6	Confident	87.8	Confident	75 Å²	75	53.5 Å²	53.5	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-54.5	176.1	-176.2	179.9	164.5	0	0	111.2	P859 E861 N866 W867 E888	P859-E863 PolarHBondContact O-N 3.2Å; E861-E863 VanDerWaalsContact C-N 3.3Å; E861-E863 PolarHBondContact O-N 2.95Å; E863-N866 PolarHBondContact O-N 3.33Å; E863-W867 PolarHBondContact O-N 3.41Å; E863-E888 HydrophobicContact CG-CB 4.25Å
864	Y	90.2	Very high	88	Confident	168 Å²	168	53.6 Å²	53.6	66%	0.659	28%	0.277	S	S	*	.	H	α-helix	trans	-68.7	-36.4	-178.9	-59.5	-67.9	0	0	0	112.4	D860 E861 W867 A868	D860-Y864 WeakPolarHBondContact O-CD2 3.31Å; E861-Y864 PolarHBondContact O-N 2.85Å; Y864-W867 WeakPolarHBondContact O-CB 3.47Å; Y864-W867 PolarHBondContact O-N 3.15Å; Y864-A868 PolarHBondContact O-N 2.99Å
865	L	90.5	Very high	88.2	Confident	63 Å²	63	61.6 Å²	61.6	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-46.7	176.1	-178.3	59.1	0	0	0	111.3	F828 I832 C854 E861 W867 A868 I869	F828-L865 HydrophobicContact CE2-CD2 4.31Å; F828-L865 HydrophobicContact CZ-CD2 4.17Å; I832-L865 HydrophobicContact CD1-CD2 4.16Å; C854-L865 HydrophobicContact CB-CD2 4.43Å; E861-L865 WeakPolarHBondContact O-CB 3.25Å; E861-L865 PolarHBondContact O-N 3.38Å; L865-W867 VanDerWaalsContact C-N 3.3Å; L865-W867 PolarHBondContact O-N 3.41Å; L865-A868 PolarHBondContact O-N 3.1Å; L865-I869 HydrophobicContact CD1-CD1 4.04Å; L865-I869 HydrophobicContact CD1-CG1 4.41Å; L865-I869 HydrophobicContact CG-CD1 3.88Å; L865-I869 VanDerWaalsContact O-CG1 3.28Å; L865-I869 WeakPolarHBondContact O-CG1 3.37Å; L865-I869 PolarHBondContact O-N 2.88Å
866	N	91.5	Very high	88.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-39.1	177.4	-73.5	-10.6	0	0	0	111.4	L853 V862 E863 I869 C870 L889	L853-N866 VanDerWaalsContact CB-OD1 3.26Å; L853-N866 WeakPolarHBondContact CB-OD1 3.38Å; L853-N866 HydrophobicContact CD1-CB 4.41Å; L853-N866 PolarHBondContact O-ND2 3.18Å; V862-N866 WeakPolarHBondContact CG1-ND2 3.35Å; V862-N866 WeakPolarHBondContact O-CB 3.16Å; V862-N866 PolarHBondContact O-N 3.47Å; V862-N866 PolarHBondContact O-ND2 3.17Å; E863-N866 PolarHBondContact O-N 3.33Å; N866-I869 PolarHBondContact O-N 3.15Å; N866-C870 WeakPolarHBondContact O-CB 3.36Å; N866-C870 PolarHBondContact O-N 2.79Å; N866-C870 PolarHBondContact O-SG 2.87Å; N866-L889 HydrophobicContact CB-CD1 4.04Å; N866-L889 HydrophobicContact CB-CD2 4.06Å
867	W	92.9	Very high	88.9	Confident	59 Å²	59	64.3 Å²	64.3	22%	0.223	32%	0.323	C	S	.	.	H	α-helix	trans	-56.4	-53.7	174.1	-170.6	-76.4	0	0	0	111.5	E863 Y864 L865 I869 C870 E871 L889 L892 F895	E863-W867 PolarHBondContact O-N 3.41Å; Y864-W867 WeakPolarHBondContact O-CB 3.47Å; Y864-W867 PolarHBondContact O-N 3.15Å; L865-W867 VanDerWaalsContact C-N 3.3Å; L865-W867 PolarHBondContact O-N 3.41Å; W867-I869 VanDerWaalsContact C-N 3.33Å; W867-I869 PolarHBondContact O-N 2.93Å; W867-C870 WeakPolarHBondContact O-CB 3.38Å; W867-C870 PolarHBondContact O-N 2.88Å; W867-C870 VanDerWaalsContact O-N 3.15Å; W867-E871 VanDerWaalsContact CD1-CD 3.49Å; W867-E871 VanDerWaalsContact NE1-CD 3.27Å; W867-E871 PolarHBondContact NE1-OE1 3.16Å; W867-E871 PolarHBondContact O-N 2.84Å; W867-L889 HydrophobicContact CE3-CD2 4.44Å; W867-L892 HydrophobicContact CD2-CD2 3.75Å; W867-L892 HydrophobicContact CD2-CG 4.37Å; W867-L892 HydrophobicContact CE3-CD2 3.95Å; W867-L892 HydrophobicContact CE3-CG 4.08Å; W867-L892 HydrophobicContact CG-CD2 4.42Å; W867-L892 HydrophobicContact CH2-CD2 3.78Å; W867-L892 HydrophobicContact CH2-CG 4.06Å; W867-L892 HydrophobicContact CZ2-CD2 3.56Å; W867-L892 HydrophobicContact CZ2-CG 4.35Å; W867-L892 HydrophobicContact CZ3-CD2 3.97Å; W867-L892 HydrophobicContact CZ3-CG 3.92Å; W867-F895 AromaticContact CH2-CD2 3.6Å; W867-F895 HydrophobicContact CH2-CD2 3.6Å; W867-F895 AromaticContact CH2-CE2 3.66Å; W867-F895 HydrophobicContact CH2-CE2 3.66Å; W867-F895 AromaticContact CZ2-CD2 3.77Å; W867-F895 HydrophobicContact CZ2-CD2 3.77Å; W867-F895 HydrophobicContact CZ2-CE2 4.04Å; W867-F895 HydrophobicContact CZ2-CG 4.45Å
868	A	93.4	Very high	89.4	Confident	51 Å²	51	62.2 Å²	62.2	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-38.8	-179.2	0	0	0	0	0	112.7	Y864 L865 E871 A872	Y864-A868 PolarHBondContact O-N 2.99Å; L865-A868 PolarHBondContact O-N 3.1Å; A868-E871 PolarHBondContact O-N 2.97Å; A868-A872 PolarHBondContact O-N 3.09Å; A868-A872 VanDerWaalsContact O-N 3.1Å
869	I	93.1	Very high	89.9	Confident	17 Å²	17	58.5 Å²	58.5	9%	0.087	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-42.2	175.5	-67.7	166.3	0	0	0	110.8	L835 L865 N866 W867 A872 L873	L835-I869 HydrophobicContact CD1-CD1 4.29Å; L865-I869 HydrophobicContact CD1-CD1 4.04Å; L865-I869 HydrophobicContact CD1-CG1 4.41Å; L865-I869 HydrophobicContact CG-CD1 3.88Å; L865-I869 VanDerWaalsContact O-CG1 3.28Å; L865-I869 WeakPolarHBondContact O-CG1 3.37Å; L865-I869 PolarHBondContact O-N 2.88Å; N866-I869 PolarHBondContact O-N 3.15Å; W867-I869 VanDerWaalsContact C-N 3.33Å; W867-I869 PolarHBondContact O-N 2.93Å; I869-A872 PolarHBondContact O-N 3.43Å; I869-L873 HydrophobicContact CG2-CD1 4.33Å; I869-L873 WeakPolarHBondContact O-CG 3.32Å; I869-L873 PolarHBondContact O-N 2.93Å; I869-L873 VanDerWaalsContact O-N 3.13Å
870	C	93.8	Very high	90.7	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.007	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176.8	-67.5	0	0	0	0	111.6	F767 N866 W867 A872 L873 L874 L892	F767-C870 HydrophobicContact CE2-CB 4.43Å; F767-C870 HydrophobicContact CZ-CB 3.85Å; N866-C870 WeakPolarHBondContact O-CB 3.36Å; N866-C870 PolarHBondContact O-N 2.79Å; N866-C870 PolarHBondContact O-SG 2.87Å; W867-C870 WeakPolarHBondContact O-CB 3.38Å; W867-C870 PolarHBondContact O-N 2.88Å; W867-C870 VanDerWaalsContact O-N 3.15Å; C870-A872 VanDerWaalsContact C-N 3.34Å; C870-A872 PolarHBondContact O-N 3.39Å; C870-L873 PolarHBondContact O-N 3.17Å; C870-L874 WeakPolarHBondContact O-CB 2.87Å; C870-L874 VanDerWaalsContact O-CG 3.26Å; C870-L874 WeakPolarHBondContact O-CG 3.21Å; C870-L874 PolarHBondContact O-N 2.55Å; C870-L892 HydrophobicContact CB-CD1 3.65Å
871	E	92.7	Very high	91.4	Very high	70 Å²	70	50.1 Å²	50.1	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-42.7	175.4	-71.9	-173.5	152	0	0	112.2	W867 A868 L873 L874 E875 Y896	W867-E871 VanDerWaalsContact CD1-CD 3.49Å; W867-E871 VanDerWaalsContact NE1-CD 3.27Å; W867-E871 PolarHBondContact NE1-OE1 3.16Å; W867-E871 PolarHBondContact O-N 2.84Å; A868-E871 PolarHBondContact O-N 2.97Å; E871-L873 VanDerWaalsContact C-N 3.29Å; E871-L873 PolarHBondContact O-N 2.93Å; E871-L874 WeakPolarHBondContact O-CB 3.35Å; E871-L874 PolarHBondContact O-N 2.98Å; E871-E875 PolarHBondContact O-N 3.38Å; E871-Y896 VanDerWaalsContact CD-OH 3.24Å; E871-Y896 HydrophobicContact CG-CE2 4.02Å; E871-Y896 PolarHBondContact OE1-OH 3.36Å
872	A	91.8	Very high	91.8	Very high	39 Å²	39	44 Å²	44	32%	0.322	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-36.5	175.8	0	0	0	0	0	112.6	L839 A868 I869 C870	L839-A872 HydrophobicContact CD2-CB 4.11Å; A868-A872 PolarHBondContact O-N 3.09Å; A868-A872 VanDerWaalsContact O-N 3.1Å; I869-A872 PolarHBondContact O-N 3.43Å; C870-A872 VanDerWaalsContact C-N 3.34Å; C870-A872 PolarHBondContact O-N 3.39Å
873	L	92.3	Very high	92.1	Very high	4 Å²	4	44 Å²	44	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-73.8	-34	175.3	-68.9	171.2	0	0	0	112.3	F767 L839 F842 I848 I850 I869 C870 E871 E875 H876 T880	F767-L873 HydrophobicContact CD2-CB 4.45Å; F767-L873 HydrophobicContact CE2-CB 3.89Å; F767-L873 HydrophobicContact CE2-CD1 4.36Å; L839-L873 HydrophobicContact CD2-CD2 3.57Å; L839-L873 HydrophobicContact CD2-CG 3.94Å; F842-L873 HydrophobicContact CZ-CD2 4.37Å; I848-L873 HydrophobicContact CD1-CD2 3.83Å; I850-L873 HydrophobicContact CD1-CD1 3.76Å; I869-L873 HydrophobicContact CG2-CD1 4.33Å; I869-L873 WeakPolarHBondContact O-CG 3.32Å; I869-L873 PolarHBondContact O-N 2.93Å; I869-L873 VanDerWaalsContact O-N 3.13Å; C870-L873 PolarHBondContact O-N 3.17Å; E871-L873 VanDerWaalsContact C-N 3.29Å; E871-L873 PolarHBondContact O-N 2.93Å; L873-E875 VanDerWaalsContact C-N 3.34Å; L873-H876 PolarHBondContact O-N 2.93Å; L873-T880 HydrophobicContact CD1-CG2 4.18Å
874	L	90.2	Very high	92.3	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-28.7	-179.1	-83	166.4	0	0	0	114	F767 C870 E871 H876 L892 Y896 N898 V899	F767-L874 HydrophobicContact CB-CD2 3.39Å; F767-L874 HydrophobicContact CB-CG 4.37Å; F767-L874 HydrophobicContact CD1-CD2 4.3Å; F767-L874 HydrophobicContact CD2-CD2 3.73Å; F767-L874 HydrophobicContact CD2-CG 3.78Å; F767-L874 HydrophobicContact CE2-CG 4.22Å; F767-L874 HydrophobicContact CG-CD2 3.56Å; F767-L874 HydrophobicContact CG-CG 4.03Å; C870-L874 WeakPolarHBondContact O-CB 2.87Å; C870-L874 VanDerWaalsContact O-CG 3.26Å; C870-L874 WeakPolarHBondContact O-CG 3.21Å; C870-L874 PolarHBondContact O-N 2.55Å; E871-L874 WeakPolarHBondContact O-CB 3.35Å; E871-L874 PolarHBondContact O-N 2.98Å; L874-H876 PolarHBondContact O-N 2.92Å; L874-H876 VanDerWaalsContact O-N 3.11Å; L874-L892 HydrophobicContact CD1-CD2 4.48Å; L874-Y896 HydrophobicContact CD1-CD2 3.89Å; L874-Y896 HydrophobicContact CD1-CE2 4.32Å; L874-Y896 HydrophobicContact CD1-CG 4.01Å; L874-N898 WeakPolarHBondContact CD2-ND2 3.35Å; L874-V899 HydrophobicContact CD1-CG2 3.79Å; L874-V899 HydrophobicContact CD2-CG2 3.37Å; L874-V899 HydrophobicContact CG-CG2 4.2Å
875	E	86.8	Confident	92	Very high	168 Å²	168	36.4 Å²	36.4	79%	0.785	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.3	177.3	-167.1	175.1	178.1	0	0	112.2	E871 L873	E871-E875 PolarHBondContact O-N 3.38Å; L873-E875 VanDerWaalsContact C-N 3.34Å
876	H	86.4	Confident	91.6	Very high	74 Å²	74	37.9 Å²	37.9	34%	0.343	19%	0.188	S	C	.	.	S	Bend	trans	-106.5	161.2	-179.7	-68	-107.5	0	0	0	112.5	N766 F842 L873 L874 A878	N766-H876 PolarHBondContact ND2-O 3.44Å; F842-H876 HydrophobicContact CD2-CB 4.48Å; F842-H876 HydrophobicContact CE2-CB 3.32Å; F842-H876 AromaticContact CE2-CD2 3.94Å; F842-H876 AromaticContact CE2-CG 3.4Å; F842-H876 VanDerWaalsContact CE2-CG 3.4Å; F842-H876 AromaticContact CE2-ND1 3.71Å; F842-H876 HydrophobicContact CZ-CB 3.68Å; F842-H876 AromaticContact CZ-CD2 3.33Å; F842-H876 WeakPolarHBondContact CZ-CD2 3.39Å; F842-H876 AromaticContact CZ-CE1 3.86Å; F842-H876 AromaticContact CZ-CG 3.29Å; F842-H876 AromaticContact CZ-ND1 3.64Å; F842-H876 AromaticContact CZ-NE2 3.7Å; L873-H876 PolarHBondContact O-N 2.93Å; L874-H876 PolarHBondContact O-N 2.92Å; L874-H876 VanDerWaalsContact O-N 3.11Å; H876-A878 VanDerWaalsContact C-N 3.35Å
877	K	88.5	Confident	91.3	Very high	120 Å²	120	39.4 Å²	39.4	52%	0.522	19%	0.194	S	C	.	.			trans	-93.4	17.4	179.3	-62.1	-170.4	176.4	-174	0	114.5	R806 R844	R806-K877 PolarHBondContact NH1-O 3.29Å; R844-K877 CarbonylContact O-C 3.48Å; R844-K877 VanDerWaalsContact O-O 3.06Å
878	A	94.3	Very high	90.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.			trans	-65.7	149.3	174.1	0	0	0	0	0	109.7	N766 F842 S843 I848 H876 T880	N766-A878 WeakPolarHBondContact CB-O 3.23Å; N766-A878 PolarHBondContact ND2-O 3.07Å; F842-A878 HydrophobicContact CD2-CB 3.77Å; F842-A878 HydrophobicContact CE2-CB 3.96Å; S843-A878 WeakPolarHBondContact O-CB 3.48Å; I848-A878 HydrophobicContact CD1-CB 4.09Å; H876-A878 VanDerWaalsContact C-N 3.35Å; A878-T880 PolarHBondContact O-N 3.48Å
879	F	96.9	Very high	90.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.5	175.7	-67.4	-15.4	0	0	0	108.5	L736 A761 S762 N766 R806 S846 I847 I848 F881	L736-F879 HydrophobicContact CB-CD2 3.98Å; L736-F879 HydrophobicContact CB-CE2 3.77Å; L736-F879 HydrophobicContact CD2-CD2 4.41Å; A761-F879 HydrophobicContact CB-CD1 4.24Å; A761-F879 HydrophobicContact CB-CD2 4.23Å; A761-F879 HydrophobicContact CB-CE1 4.48Å; A761-F879 HydrophobicContact CB-CE2 4.45Å; A761-F879 HydrophobicContact CB-CG 4.12Å; S762-F879 VanDerWaalsContact C-CE1 3.43Å; S762-F879 WeakPolarHBondContact O-CE1 3.45Å; N766-F879 HydrophobicContact CB-CD1 3.99Å; N766-F879 HydrophobicContact CB-CE1 4.4Å; N766-F879 CarbonylContact O-C 3.58Å; N766-F879 WeakPolarHBondContact O-CA 3.41Å; R806-F879 HydrophobicContact CB-CE2 3.92Å; S846-F879 PolarHBondContact O-N 2.83Å; I847-F879 CarbonylContact C-O 3.02Å; I847-F879 WeakPolarHBondContact CA-O 3.35Å; I847-F879 HydrophobicContact CG1-CB 4.18Å; I847-F879 HydrophobicContact CG1-CD2 4.5Å; I848-F879 PolarHBondContact N-O 3.28Å; F879-F881 HydrophobicContact CB-CE2 4.18Å
880	T	97.2	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.9	-175.6	-55.8	0	0	0	0	110	N766 F767 H768 I848 I850 L873 A878	N766-T880 PolarHBondContact O-N 3.25Å; F767-T880 WeakPolarHBondContact CA-O 3.19Å; F767-T880 HydrophobicContact CD2-CG2 3.77Å; F767-T880 HydrophobicContact CE2-CG2 3.5Å; F767-T880 HydrophobicContact CZ-CG2 4.16Å; H768-T880 PolarHBondContact N-O 3.09Å; H768-T880 PolarHBondContact ND1-O 3.16Å; I848-T880 HydrophobicContact CB-CG2 4.28Å; I848-T880 HydrophobicContact CG2-CG2 4.35Å; I848-T880 CarbonylContact O-C 3.54Å; I848-T880 VanDerWaalsContact O-CA 3.3Å; I848-T880 WeakPolarHBondContact O-CA 3.14Å; I850-T880 HydrophobicContact CD1-CG2 4.39Å; L873-T880 HydrophobicContact CD1-CG2 4.18Å; A878-T880 PolarHBondContact O-N 3.48Å
881	F	97.3	Very high	90.3	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	113.2	174.5	-59.9	-93.9	0	0	0	108.6	L736 T759 A761 H768 I770 L782 I785 I848 L849 I850 F879	L736-F881 HydrophobicContact CD2-CE2 4Å; L736-F881 HydrophobicContact CD2-CZ 3.79Å; T759-F881 HydrophobicContact CG2-CE1 3.7Å; T759-F881 HydrophobicContact CG2-CZ 3.8Å; A761-F881 HydrophobicContact CB-CZ 3.86Å; H768-F881 HydrophobicContact CB-CD1 3.67Å; H768-F881 HydrophobicContact CB-CE1 4.08Å; H768-F881 HydrophobicContact CB-CG 4.46Å; H768-F881 AromaticContact CG-CD1 3.77Å; H768-F881 AromaticContact CG-CE1 3.65Å; H768-F881 AromaticContact ND1-CD1 3.8Å; H768-F881 AromaticContact ND1-CE1 3.47Å; H768-F881 WeakPolarHBondContact ND1-CE1 3.18Å; H768-F881 AromaticContact ND1-CZ 3.92Å; I770-F881 HydrophobicContact CD1-CB 4.11Å; I770-F881 HydrophobicContact CD1-CD1 4.26Å; L782-F881 HydrophobicContact CD2-CB 3.59Å; I785-F881 HydrophobicContact CD1-CD1 3.8Å; I785-F881 HydrophobicContact CD1-CD2 4.33Å; I785-F881 HydrophobicContact CD1-CE1 3.89Å; I785-F881 HydrophobicContact CD1-CE2 4.38Å; I785-F881 HydrophobicContact CD1-CG 4.04Å; I785-F881 HydrophobicContact CD1-CZ 4.18Å; I785-F881 HydrophobicContact CG2-CE2 4.35Å; I848-F881 PolarHBondContact O-N 3.35Å; L849-F881 HydrophobicContact CD2-CB 3.88Å; L849-F881 HydrophobicContact CD2-CD2 3.6Å; L849-F881 HydrophobicContact CD2-CG 4.04Å; I850-F881 PolarHBondContact N-O 2.86Å; F879-F881 HydrophobicContact CB-CE2 4.18Å
882	L	96	Very high	90.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.5	-179.6	172.8	60.9	0	0	0	109.5	F767 H768 I770 I850 L853 T884 L889	F767-L882 HydrophobicContact CE1-CB 4.4Å; F767-L882 HydrophobicContact CE1-CD2 4.47Å; F767-L882 HydrophobicContact CZ-CB 4.41Å; F767-L882 HydrophobicContact CZ-CD2 4.36Å; H768-L882 PolarHBondContact O-N 2.62Å; I770-L882 PolarHBondContact N-O 3.4Å; I850-L882 HydrophobicContact CB-CD1 3.89Å; I850-L882 HydrophobicContact CG2-CD1 3.43Å; I850-L882 VanDerWaalsContact CG2-CD1 3.43Å; L853-L882 HydrophobicContact CD1-CD1 3.52Å; L853-L882 HydrophobicContact CD1-CD2 4.03Å; L853-L882 HydrophobicContact CD1-CG 4.45Å; L853-L882 HydrophobicContact CG-CD1 3.75Å; L882-T884 HydrophobicContact CG-CG2 4.4Å; L882-L889 HydrophobicContact CD2-CD1 4Å
883	A	94	Very high	90.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.6	164.8	0	0	0	0	0	109.9	I770 K778 L782 I850 G852	I770-A883 WeakPolarHBondContact O-CA 3.29Å; K778-A883 HydrophobicContact CB-CB 3.9Å; K778-A883 HydrophobicContact CD-CB 4.13Å; K778-A883 HydrophobicContact CG-CB 4.44Å; L782-A883 HydrophobicContact CD1-CB 3.64Å; L782-A883 HydrophobicContact CG-CB 4.29Å; I850-A883 PolarHBondContact O-N 2.87Å; G852-A883 PolarHBondContact N-O 3.05Å
884	T	89.8	Confident	90.1	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.1	-178.1	-175.2	0	0	0	0	111.9	V769 I770 T771 L882 R886 L889	V769-T884 HydrophobicContact CG1-CG2 3.95Å; I770-T884 PolarHBondContact O-N 2.97Å; T771-T884 WeakPolarHBondContact CA-O 3.27Å; T771-T884 HydrophobicContact CG2-CG2 4.32Å; L882-T884 HydrophobicContact CG-CG2 4.4Å; T884-R886 WeakPolarHBondContact OG1-CB 3.32Å; T884-R886 PolarHBondContact OG1-N 2.95Å; T884-L889 HydrophobicContact CG2-CD1 4.24Å
885	N	82.8	Confident	90.1	Very high	79 Å²	79	45.6 Å²	45.6	42%	0.422	23%	0.23	S	C	.	.	S	Bend	trans	-94.9	-0.3	169.7	-60.6	-22.3	0	0	0	112	G772 K778	G772-N885 PolarHBondContact O-OD1 3.49Å; K778-N885 WeakPolarHBondContact CE-OD1 3.46Å; K778-N885 PolarHBondContact NZ-OD1 3.25Å
886	R	82.6	Confident	90.4	Very high	93 Å²	93	40.9 Å²	40.9	35%	0.351	21%	0.205	S	C	.	.			trans	-91	107.7	179.2	-59.8	-65.7	-174.1	166.7	2.6	109.8	T884 E888 L889	T884-R886 WeakPolarHBondContact OG1-CB 3.32Å; T884-R886 PolarHBondContact OG1-N 2.95Å; R886-E888 WeakPolarHBondContact CA-OE2 3.35Å; R886-E888 PolarHBondContact O-N 2.93Å; R886-L889 HydrophobicContact CB-CD1 4.37Å
887	Y	84.4	Confident	90.6	Very high	33 Å²	33	43 Å²	43	13%	0.129	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-73.7	-20.4	-177.6	-65.9	-80.8	0	0	0	112.2	T771 L889 T890 K993	T771-Y887 HydrophobicContact CG2-CD1 4.2Å; T771-Y887 HydrophobicContact CG2-CE1 4.48Å; Y887-L889 PolarHBondContact O-N 3.47Å; Y887-T890 VanDerWaalsContact O-CB 3.31Å; Y887-T890 WeakPolarHBondContact O-CB 3.1Å; Y887-T890 WeakPolarHBondContact O-CG2 3.45Å; Y887-T890 PolarHBondContact O-N 2.85Å; Y887-T890 PolarHBondContact O-OG1 3.44Å; Y887-K993 HydrophobicContact CD2-CG 4.2Å
888	E	85.4	Confident	90.8	Very high	52 Å²	52	38.7 Å²	38.7	24%	0.243	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-59.4	-36.7	-178.7	-61	69.3	-145.5	0	0	111	E863 R886 T890 S891 K993	E863-E888 HydrophobicContact CG-CB 4.25Å; R886-E888 WeakPolarHBondContact CA-OE2 3.35Å; R886-E888 PolarHBondContact O-N 2.93Å; E888-T890 PolarHBondContact O-N 3.29Å; E888-S891 VanDerWaalsContact O-CB 3.28Å; E888-S891 WeakPolarHBondContact O-CB 3.36Å; E888-S891 PolarHBondContact O-N 3.48Å; E888-S891 VanDerWaalsContact O-N 3.12Å; E888-S891 PolarHBondContact O-OG 2.83Å; E888-K993 IonicContact OE1-NZ 3.94Å; E888-K993 PolarHBondContact OE1-NZ 2.89Å; E888-K993 VanDerWaalsContact OE1-NZ 3.13Å
889	L	88.2	Confident	90.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-65.8	-17.4	176.8	-66.4	175.9	0	0	0	113.9	N866 W867 L882 T884 R886 Y887 S891 L892	N866-L889 HydrophobicContact CB-CD1 4.04Å; N866-L889 HydrophobicContact CB-CD2 4.06Å; W867-L889 HydrophobicContact CE3-CD2 4.44Å; L882-L889 HydrophobicContact CD2-CD1 4Å; T884-L889 HydrophobicContact CG2-CD1 4.24Å; R886-L889 HydrophobicContact CB-CD1 4.37Å; Y887-L889 PolarHBondContact O-N 3.47Å; L889-S891 PolarHBondContact O-N 3.44Å; L889-L892 HydrophobicContact CB-CD1 4.42Å; L889-L892 HydrophobicContact CD2-CD1 4.23Å; L889-L892 VanDerWaalsContact O-CB 3.3Å; L889-L892 WeakPolarHBondContact O-CB 3.34Å; L889-L892 WeakPolarHBondContact O-CD1 3.26Å; L889-L892 WeakPolarHBondContact O-CG 3.48Å; L889-L892 PolarHBondContact O-N 3.19Å; L889-L892 VanDerWaalsContact O-N 3.11Å
890	T	89.5	Confident	90.7	Very high	13 Å²	13	40 Å²	40	8%	0.08	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-64.3	-20.5	173.9	66	0	0	0	0	112.1	V769 T771 Y887 E888 L892 A893 N901 I990	V769-T890 HydrophobicContact CG1-CG2 4.34Å; T771-T890 HydrophobicContact CG2-CG2 3.61Å; Y887-T890 VanDerWaalsContact O-CB 3.31Å; Y887-T890 WeakPolarHBondContact O-CB 3.1Å; Y887-T890 WeakPolarHBondContact O-CG2 3.45Å; Y887-T890 PolarHBondContact O-N 2.85Å; Y887-T890 PolarHBondContact O-OG1 3.44Å; E888-T890 PolarHBondContact O-N 3.29Å; T890-L892 PolarHBondContact O-N 3.45Å; T890-A893 PolarHBondContact O-N 3.48Å; T890-N901 PolarHBondContact O-ND2 3.41Å; T890-I990 HydrophobicContact CG2-CG2 4.42Å
891	S	90.1	Very high	90.6	Very high	55 Å²	55	40.6 Å²	40.6	39%	0.385	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.7	-22.3	175	-49.4	0	0	0	0	112.6	E888 L889 A893 S894 F895	E888-S891 VanDerWaalsContact O-CB 3.28Å; E888-S891 WeakPolarHBondContact O-CB 3.36Å; E888-S891 PolarHBondContact O-N 3.48Å; E888-S891 VanDerWaalsContact O-N 3.12Å; E888-S891 PolarHBondContact O-OG 2.83Å; L889-S891 PolarHBondContact O-N 3.44Å; S891-A893 PolarHBondContact O-N 3.42Å; S891-A893 VanDerWaalsContact O-N 3.17Å; S891-S894 WeakPolarHBondContact O-CB 3.43Å; S891-S894 PolarHBondContact O-N 3.05Å; S891-S894 PolarHBondContact O-OG 3.44Å; S891-F895 VanDerWaalsContact O-CD2 3.27Å; S891-F895 WeakPolarHBondContact O-CD2 3.5Å
892	L	90.5	Very high	90.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-53.8	-36.1	175.6	-74.6	167.3	0	0	0	112.3	W867 C870 L874 L889 T890 S894 F895 Y896 V899	W867-L892 HydrophobicContact CD2-CD2 3.75Å; W867-L892 HydrophobicContact CD2-CG 4.37Å; W867-L892 HydrophobicContact CE3-CD2 3.95Å; W867-L892 HydrophobicContact CE3-CG 4.08Å; W867-L892 HydrophobicContact CG-CD2 4.42Å; W867-L892 HydrophobicContact CH2-CD2 3.78Å; W867-L892 HydrophobicContact CH2-CG 4.06Å; W867-L892 HydrophobicContact CZ2-CD2 3.56Å; W867-L892 HydrophobicContact CZ2-CG 4.35Å; W867-L892 HydrophobicContact CZ3-CD2 3.97Å; W867-L892 HydrophobicContact CZ3-CG 3.92Å; C870-L892 HydrophobicContact CB-CD1 3.65Å; L874-L892 HydrophobicContact CD1-CD2 4.48Å; L889-L892 HydrophobicContact CB-CD1 4.42Å; L889-L892 HydrophobicContact CD2-CD1 4.23Å; L889-L892 VanDerWaalsContact O-CB 3.3Å; L889-L892 WeakPolarHBondContact O-CB 3.34Å; L889-L892 WeakPolarHBondContact O-CD1 3.26Å; L889-L892 WeakPolarHBondContact O-CG 3.48Å; L889-L892 PolarHBondContact O-N 3.19Å; L889-L892 VanDerWaalsContact O-N 3.11Å; T890-L892 PolarHBondContact O-N 3.45Å; L892-S894 PolarHBondContact O-N 3.26Å; L892-F895 PolarHBondContact O-N 2.96Å; L892-F895 VanDerWaalsContact O-N 3.07Å; L892-Y896 HydrophobicContact CD2-CD2 4.02Å; L892-Y896 HydrophobicContact CD2-CE2 4Å; L892-Y896 PolarHBondContact O-N 3.32Å; L892-V899 HydrophobicContact CB-CG1 4.25Å; L892-V899 HydrophobicContact CB-CG2 4.45Å
893	A	91.1	Very high	90.3	Very high	33 Å²	33	44.6 Å²	44.6	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-20.6	177.6	0	0	0	0	0	114.2	T890 S891 V899 N901	T890-A893 PolarHBondContact O-N 3.48Å; S891-A893 PolarHBondContact O-N 3.42Å; S891-A893 VanDerWaalsContact O-N 3.17Å; A893-V899 HydrophobicContact CB-CB 4.29Å; A893-V899 HydrophobicContact CB-CG1 3.91Å; A893-N901 VanDerWaalsContact CB-ND2 3.28Å; A893-N901 WeakPolarHBondContact CB-ND2 3.37Å
894	S	90.6	Very high	90.1	Very high	93 Å²	93	44.7 Å²	44.7	65%	0.65	23%	0.234	S	C	*	.	H	α-helix	trans	-80.1	-26.2	175.2	71.8	0	0	0	0	113	S891 L892	S891-S894 WeakPolarHBondContact O-CB 3.43Å; S891-S894 PolarHBondContact O-N 3.05Å; S891-S894 PolarHBondContact O-OG 3.44Å; L892-S894 PolarHBondContact O-N 3.26Å
895	F	90.8	Very high	89.7	Confident	135 Å²	135	45.6 Å²	45.6	59%	0.592	24%	0.241	S	C	*	.	H	α-helix	trans	-95.3	-34	-179.9	-62.9	-81.5	0	0	0	112.3	W867 S891 L892	W867-F895 AromaticContact CH2-CD2 3.6Å; W867-F895 HydrophobicContact CH2-CD2 3.6Å; W867-F895 AromaticContact CH2-CE2 3.66Å; W867-F895 HydrophobicContact CH2-CE2 3.66Å; W867-F895 AromaticContact CZ2-CD2 3.77Å; W867-F895 HydrophobicContact CZ2-CD2 3.77Å; W867-F895 HydrophobicContact CZ2-CE2 4.04Å; W867-F895 HydrophobicContact CZ2-CG 4.45Å; S891-F895 VanDerWaalsContact O-CD2 3.27Å; S891-F895 WeakPolarHBondContact O-CD2 3.5Å; L892-F895 PolarHBondContact O-N 2.96Å; L892-F895 VanDerWaalsContact O-N 3.07Å
896	Y	92.7	Very high	89.6	Confident	70 Å²	70	43.2 Å²	43.2	28%	0.275	23%	0.229	S	C	.	.			trans	-119.3	112.9	-172.2	-64.1	-76.1	0	0	0	111.1	E871 L874 L892 N898 V899	E871-Y896 VanDerWaalsContact CD-OH 3.24Å; E871-Y896 HydrophobicContact CG-CE2 4.02Å; E871-Y896 PolarHBondContact OE1-OH 3.36Å; L874-Y896 HydrophobicContact CD1-CD2 3.89Å; L874-Y896 HydrophobicContact CD1-CE2 4.32Å; L874-Y896 HydrophobicContact CD1-CG 4.01Å; L892-Y896 HydrophobicContact CD2-CD2 4.02Å; L892-Y896 HydrophobicContact CD2-CE2 4Å; L892-Y896 PolarHBondContact O-N 3.32Å; Y896-N898 PolarHBondContact O-N 3.43Å; Y896-V899 PolarHBondContact O-N 3.49Å
897	P	90.1	Very high	89.3	Confident	117 Å²	117	44 Å²	44	76%	0.76	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.6	-175.2	28.5	-35.7	0	0	0	114	V899	P897-V899 VanDerWaalsContact C-N 3.34Å
898	N	92.3	Very high	88.5	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.16	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.6	176.6	62.4	-43.2	0	0	0	113.9	A764 N766 F767 L874 Y896	A764-N898 VanDerWaalsContact O-CA 3.25Å; A764-N898 WeakPolarHBondContact O-CA 3.39Å; A764-N898 WeakPolarHBondContact O-CB 3.3Å; N766-N898 PolarHBondContact N-O 3.49Å; N766-N898 PolarHBondContact OD1-ND2 3.28Å; F767-N898 PolarHBondContact N-O 3.34Å; L874-N898 WeakPolarHBondContact CD2-ND2 3.35Å; Y896-N898 PolarHBondContact O-N 3.43Å
899	V	95.1	Very high	87	Confident	9 Å²	9	48.7 Å²	48.7	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.1	175.3	177	0	0	0	0	110.3	F767 V769 L874 L892 A893 Y896 P897	F767-V899 HydrophobicContact CB-CG2 4.15Å; F767-V899 HydrophobicContact CD1-CG1 4.23Å; F767-V899 HydrophobicContact CD1-CG2 4.13Å; F767-V899 HydrophobicContact CG-CG2 4.36Å; F767-V899 CarbonylContact O-C 3.27Å; F767-V899 VanDerWaalsContact O-CA 3.31Å; F767-V899 WeakPolarHBondContact O-CA 3.34Å; V769-V899 HydrophobicContact CG2-CG1 4.12Å; L874-V899 HydrophobicContact CD1-CG2 3.79Å; L874-V899 HydrophobicContact CD2-CG2 3.37Å; L874-V899 HydrophobicContact CG-CG2 4.2Å; L892-V899 HydrophobicContact CB-CG1 4.25Å; L892-V899 HydrophobicContact CB-CG2 4.45Å; A893-V899 HydrophobicContact CB-CB 4.29Å; A893-V899 HydrophobicContact CB-CG1 3.91Å; Y896-V899 PolarHBondContact O-N 3.49Å; P897-V899 VanDerWaalsContact C-N 3.34Å
900	E	94.2	Very high	85.1	Confident	18 Å²	18	54.5 Å²	54.5	8%	0.084	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.5	174.3	-162.1	168.8	-172	0	0	111.6	F767 H768 V769 Y902 K988	F767-E900 PolarHBondContact O-N 3.02Å; H768-E900 WeakPolarHBondContact CA-O 3.21Å; V769-E900 PolarHBondContact N-O 2.79Å; E900-Y902 HydrophobicContact CB-CE2 3.92Å; E900-Y902 VanDerWaalsContact CD-OH 3.29Å; E900-Y902 HydrophobicContact CG-CD2 4.27Å; E900-Y902 HydrophobicContact CG-CE2 3.5Å; E900-Y902 VanDerWaalsContact CG-CE2 3.5Å; E900-Y902 PolarHBondContact OE1-OH 3.31Å; E900-Y902 PolarHBondContact OE2-OH 2.81Å; E900-K988 WeakPolarHBondContact OE1-CD 3.19Å; E900-K988 WeakPolarHBondContact OE1-CE 3.28Å; E900-K988 IonicContact OE1-NZ 2.82Å; E900-K988 PolarHBondContact OE1-NZ 2.89Å
901	N	95.1	Very high	82.6	Confident	13 Å²	13	59.1 Å²	59.1	7%	0.07	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.8	-179.4	-67.1	-33	0	0	0	111.3	T890 A893 G989 I990	T890-N901 PolarHBondContact O-ND2 3.41Å; A893-N901 VanDerWaalsContact CB-ND2 3.28Å; A893-N901 WeakPolarHBondContact CB-ND2 3.37Å; N901-G989 CarbonylContact C-O 3.55Å; N901-G989 VanDerWaalsContact C-O 3.27Å; N901-G989 WeakPolarHBondContact CB-O 3.49Å; N901-G989 PolarHBondContact O-N 2.73Å; N901-I990 HydrophobicContact CB-CG1 4.13Å
902	Y	94.9	Very high	80	Confident	32 Å²	32	62.5 Å²	62.5	13%	0.125	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157.5	174.6	-70.4	-97.2	0	0	0	110.7	H768 V769 I770 T771 E900 L986 N987 K988 G989	H768-Y902 AromaticContact CD2-CE2 3.74Å; V769-Y902 PolarHBondContact O-N 2.77Å; I770-Y902 WeakPolarHBondContact CA-O 3.44Å; T771-Y902 PolarHBondContact N-O 3.43Å; T771-Y902 PolarHBondContact OG1-O 2.87Å; T771-Y902 VanDerWaalsContact OG1-O 3.12Å; E900-Y902 HydrophobicContact CB-CE2 3.92Å; E900-Y902 VanDerWaalsContact CD-OH 3.29Å; E900-Y902 HydrophobicContact CG-CD2 4.27Å; E900-Y902 HydrophobicContact CG-CE2 3.5Å; E900-Y902 VanDerWaalsContact CG-CE2 3.5Å; E900-Y902 PolarHBondContact OE1-OH 3.31Å; E900-Y902 PolarHBondContact OE2-OH 2.81Å; Y902-L986 HydrophobicContact CD1-CD2 3.74Å; Y902-L986 HydrophobicContact CD1-CG 3.97Å; Y902-L986 HydrophobicContact CE1-CD2 4.48Å; Y902-L986 HydrophobicContact CG-CD2 4.08Å; Y902-L986 HydrophobicContact CG-CG 4.36Å; Y902-N987 CarbonylContact C-O 3.32Å; Y902-N987 VanDerWaalsContact CA-O 3.29Å; Y902-N987 WeakPolarHBondContact CA-O 3.44Å; Y902-K988 HydrophobicContact CD1-CB 4.17Å; Y902-K988 HydrophobicContact CE1-CB 3.9Å; Y902-K988 HydrophobicContact CE1-CG 4.35Å; Y902-G989 PolarHBondContact N-O 3.42Å
903	Y	92.5	Very high	77.2	Confident	55 Å²	55	69.6 Å²	69.6	22%	0.216	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.2	175.7	72.5	-77.9	0	0	0	113.2	T771 N987	T771-Y903 WeakPolarHBondContact O-CA 3.48Å; T771-Y903 WeakPolarHBondContact OG1-CB 3.44Å; Y903-N987 HydrophobicContact CD1-CB 4.25Å; Y903-N987 HydrophobicContact CE1-CB 3.71Å; Y903-N987 HydrophobicContact CE2-CB 4.33Å; Y903-N987 PolarHBondContact N-O 2.87Å; Y903-N987 PolarHBondContact O-N 3.03Å
904	F	89.6	Confident	74.4	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.009	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.6	171.2	-76.9	-82.1	0	0	0	111.4	I770 T771 C776 K778 Y781 Y984 K985 L986	I770-F904 HydrophobicContact CG2-CD2 4.15Å; I770-F904 HydrophobicContact CG2-CE2 3.69Å; T771-F904 PolarHBondContact O-N 3.43Å; T771-F904 VanDerWaalsContact O-N 3.11Å; C776-F904 HydrophobicContact CB-CB 3.8Å; C776-F904 HydrophobicContact CB-CG 4.21Å; C776-F904 WeakPolarHBondContact O-CD1 3.39Å; K778-F904 HydrophobicContact CB-CE2 4.36Å; K778-F904 HydrophobicContact CG-CD2 3.87Å; K778-F904 HydrophobicContact CG-CE2 3.81Å; Y781-F904 HydrophobicContact CG-CZ 4.04Å; F904-Y984 WeakPolarHBondContact CE1-O 3.36Å; F904-K985 WeakPolarHBondContact CA-O 3.39Å; F904-L986 HydrophobicContact CD1-CD1 4.46Å; F904-L986 HydrophobicContact CD2-CD1 3.96Å; F904-L986 HydrophobicContact CE1-CB 4.2Å; F904-L986 HydrophobicContact CE1-CD1 4.22Å; F904-L986 HydrophobicContact CE2-CD1 3.69Å; F904-L986 HydrophobicContact CG-CD1 4.35Å; F904-L986 HydrophobicContact CZ-CB 4.44Å; F904-L986 HydrophobicContact CZ-CD1 3.82Å
905	S	80.5	Confident	71.6	Confident	24 Å²	24	81.6 Å²	81.6	17%	0.168	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	143.1	174.9	37.5	0	0	0	0	112.6	T983 K985 N987	S905-T983 PolarHBondContact O-OG1 3.44Å; S905-T983 PolarHBondContact OG-OG1 3.37Å; S905-K985 PolarHBondContact N-O 2.84Å; S905-K985 VanDerWaalsContact N-O 3.15Å; S905-K985 PolarHBondContact OG-O 3.37Å; S905-N987 VanDerWaalsContact CB-ND2 3.27Å; S905-N987 WeakPolarHBondContact CB-ND2 3.15Å; S905-N987 PolarHBondContact OG-ND2 3.07Å
906	V	80.5	Confident	68.7	Low	28 Å²	28	86.3 Å²	86.3	17%	0.17	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.9	173.5	179.9	0	0	0	0	107.4	P773 I980 F982 Y996	P773-V906 HydrophobicContact CG-CG2 3.76Å; V906-I980 HydrophobicContact CG1-CG2 3.29Å; V906-F982 HydrophobicContact CG2-CD1 4.05Å; V906-F982 HydrophobicContact CG2-CE1 4.19Å; V906-Y996 HydrophobicContact CB-CE2 4.42Å; V906-Y996 HydrophobicContact CG1-CE1 3.95Å; V906-Y996 HydrophobicContact CG2-CE2 4.43Å
907	E	76.7	Confident	65.6	Low	111 Å²	111	91.3 Å²	91.3	52%	0.519	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.2	177	-72.2	172.2	-176.3	0	0	109.3	T981 T983	E907-T981 PolarHBondContact N-O 3.42Å; E907-T981 PolarHBondContact O-N 3.41Å; E907-T983 HydrophobicContact CB-CG2 4.37Å; E907-T983 VanDerWaalsContact CD-CG2 3.48Å; E907-T983 HydrophobicContact CG-CG2 3.68Å; E907-T983 WeakPolarHBondContact OE1-CG2 3.48Å
908	E	68.9	Low	62.8	Low	64 Å²	64	94.9 Å²	94.9	30%	0.299	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.3	177.7	-55.5	-166.5	158.3	0	0	108.6	F910 Y996 K999	E908-F910 HydrophobicContact CB-CE2 4.27Å; E908-F910 HydrophobicContact CB-CZ 4.46Å; E908-Y996 WeakPolarHBondContact OE1-CE1 3.47Å; E908-Y996 PolarHBondContact OE1-OH 2.94Å; E908-K999 IonicContact OE1-NZ 3.88Å; E908-K999 PolarHBondContact OE1-NZ 3.16Å; E908-K999 IonicContact OE2-NZ 3.44Å; E908-K999 PolarHBondContact OE2-NZ 2.86Å
909	E	52.9	Low	59.6	Low	118 Å²	118	102.2 Å²	102.2	55%	0.551	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.8	173.7	-73.8	-174.2	169.1	0	0	109.6	G978 Q979	E909-G978 CarbonylContact O-C 3.49Å; E909-G978 VanDerWaalsContact O-CA 3.22Å; E909-G978 WeakPolarHBondContact O-CA 3.49Å; E909-Q979 PolarHBondContact N-O 2.95Å; E909-Q979 PolarHBondContact O-N 2.81Å
910	F	47.7	Very low	56.4	Low	125 Å²	125	108.9 Å²	108.9	55%	0.548	51%	0.507	S	S	.	.			trans	-90.2	109.9	172.8	-62.9	-85	0	0	0	108.9	E908 N912	E908-F910 HydrophobicContact CB-CE2 4.27Å; E908-F910 HydrophobicContact CB-CZ 4.46Å; F910-N912 PolarHBondContact O-N 3.22Å
911	L	37.1	Very low	53.2	Low	110 Å²	110	115.4 Å²	115.4	58%	0.576	54%	0.541	S	S	*	.			trans	-69.7	94.3	171.7	-94.9	155.1	0	0	0	109.4	I913	L911-I913 PolarHBondContact O-N 3.42Å
912	N	35.3	Very low	49.7	Very low	126 Å²	126	125.8 Å²	125.8	67%	0.674	58%	0.579	S	S	*	*			trans	-71.1	90	171.4	-82	-23	0	0	0	110	F910 Y914	F910-N912 PolarHBondContact O-N 3.22Å; N912-Y914 PolarHBondContact O-N 3.3Å
913	I	33.2	Very low	46.5	Very low	149 Å²	149	130.5 Å²	130.5	76%	0.764	61%	0.612	S	S	*	*			trans	-77	68.6	172.1	-50.7	174.5	0	0	0	108.9	L911	L911-I913 PolarHBondContact O-N 3.42Å
914	Y	32.5	Very low	43.2	Very low	196 Å²	196	134.8 Å²	134.8	77%	0.769	64%	0.638	S	S	*	*			trans	-136.2	47.5	173.7	-75.6	-72.9	0	0	0	111.8	N912	N912-Y914 PolarHBondContact O-N 3.3Å
915	H	30.6	Very low	40.2	Very low	182 Å²	182	141.2 Å²	141.2	84%	0.843	67%	0.672	S	S	*	*			trans	-139.4	42.5	171.6	-90.8	-23.2	0	0	0	114.2
916	Y	30.2	Very low	37.5	Very low	233 Å²	233	151.8 Å²	151.8	91%	0.914	71%	0.708	S	S	*	*	S	Bend	trans	-139	136	154.7	-92	-86	0	0	0	108.9
917	E	28.7	Very low	34.8	Very low	175 Å²	175	156.9 Å²	156.9	82%	0.818	74%	0.735	S	S	*	*	S	Bend	trans	88	70.2	178.4	-51.1	-169.9	166.5	0	0	117.2
918	H	29.7	Very low	32.2	Very low	193 Å²	193	157.9 Å²	157.9	89%	0.894	74%	0.742	S	S	*	*			trans	-157.8	51.4	137.5	-90.9	-57.7	0	0	0	111	N920	H918-N920 PolarHBondContact O-N 2.68Å
919	H	25.5	Very low	30.1	Very low	184 Å²	184	165.4 Å²	165.4	85%	0.852	77%	0.769	S	S	*	*			trans	-78.4	94.8	157.1	-86.9	-65.3	0	0	0	108.1
920	N	27.7	Very low	28.6	Very low	148 Å²	148	167.7 Å²	167.7	79%	0.791	78%	0.78	S	S	*	*			trans	153.4	86.3	146.2	-78.2	-28.1	0	0	0	109.7	H918	H918-N920 PolarHBondContact O-N 2.68Å
921	I	26.7	Very low	27.5	Very low	156 Å²	156	167.8 Å²	167.8	80%	0.8	79%	0.791	S	S	*	*			trans	-153.1	113	136.3	-90.7	140	0	0	0	106.4	T923	I921-T923 PolarHBondContact O-N 2.84Å
922	R	22.9	Very low	27	Very low	230 Å²	230	168.2 Å²	168.2	87%	0.868	80%	0.801	S	S	*	*			trans	-52.4	117.7	167.3	-79	168.5	162.2	164.5	-6.4	109.8
923	T	27.7	Very low	26.4	Very low	132 Å²	132	173.2 Å²	173.2	81%	0.81	81%	0.812	S	S	*	*			trans	-136.1	98.1	141.2	36.7	0	0	0	0	107.7	I921 N925	I921-T923 PolarHBondContact O-N 2.84Å; T923-N925 PolarHBondContact O-N 2.63Å
924	L	23.1	Very low	26	Very low	145 Å²	145	170.9 Å²	170.9	76%	0.759	82%	0.815	S	S	*	*			trans	-56.7	128.1	161	-92.5	87.5	0	0	0	108.4
925	N	25.5	Very low	25.6	Very low	137 Å²	137	168.4 Å²	168.4	73%	0.733	82%	0.815	S	S	*	*			trans	147.8	84.5	134.8	-78.7	-18.1	0	0	0	110.7	T923	T923-N925 PolarHBondContact O-N 2.63Å
926	R	23.8	Very low	25.4	Very low	245 Å²	245	167.7 Å²	167.7	93%	0.925	82%	0.817	S	S	*	*			trans	-141	105.3	141	-116.9	174.8	-177.9	176.1	-0.8	108.7	I928	R926-I928 PolarHBondContact O-N 3Å; R926-I928 VanDerWaalsContact O-N 3.09Å
927	N	24.1	Very low	25.2	Very low	135 Å²	135	161.6 Å²	161.6	72%	0.722	81%	0.808	S	S	*	*			trans	-57	107.4	177.7	-67.2	-27.9	0	0	0	109.7	Y929	N927-Y929 PolarHBondContact O-N 3.09Å
928	I	23.3	Very low	25.1	Very low	132 Å²	132	160.6 Å²	160.6	68%	0.677	81%	0.809	S	S	*	*			trans	-0.6	100.1	131.4	-53.7	171.5	0	0	0	112.3	R926 E930	R926-I928 PolarHBondContact O-N 3Å; R926-I928 VanDerWaalsContact O-N 3.09Å; I928-E930 HydrophobicContact CG2-CB 4.48Å; I928-E930 HydrophobicContact CG2-CG 3.8Å
929	Y	24.6	Very low	24.9	Very low	222 Å²	222	156.6 Å²	156.6	87%	0.871	80%	0.803	S	S	*	*			trans	-117.2	87.2	145	-79.2	-74.4	0	0	0	106.5	N927	N927-Y929 PolarHBondContact O-N 3.09Å
930	E	21.4	Very low	25	Very low	167 Å²	167	154.9 Å²	154.9	78%	0.78	80%	0.798	S	S	*	*			trans	-60.1	124.5	160.5	-76	165.5	174.7	0	0	108.8	I928	I928-E930 HydrophobicContact CG2-CB 4.48Å; I928-E930 HydrophobicContact CG2-CG 3.8Å
931	T	23.5	Very low	24.8	Very low	126 Å²	126	156.8 Å²	156.8	77%	0.773	80%	0.802	S	S	*	*			trans	-147.3	147	146.5	39.6	0	0	0	0	109.2
932	P	27.1	Very low	24.8	Very low	120 Å²	120	157.7 Å²	157.7	78%	0.779	80%	0.803	S	S	*	*			trans	-98.6	133.5	-140	5.5	14.7	0	0	0	112.3	A934	P932-A934 PolarHBondContact O-N 2.89Å; P932-A934 VanDerWaalsContact O-N 3.13Å
933	Y	23	Very low	25	Very low	230 Å²	230	151 Å²	151	90%	0.902	79%	0.791	S	S	*	*			trans	-67	105.2	166.4	-74.6	-88.5	0	0	0	109.4	N935	Y933-N935 PolarHBondContact O-N 3.11Å
934	A	25.3	Very low	25.1	Very low	101 Å²	101	150.5 Å²	150.5	84%	0.835	79%	0.791	S	S	*	*			trans	-75.9	108.6	168.3	0	0	0	0	0	108.9	P932	P932-A934 PolarHBondContact O-N 2.89Å; P932-A934 VanDerWaalsContact O-N 3.13Å
935	N	23.7	Very low	25.2	Very low	143 Å²	143	148.6 Å²	148.6	77%	0.765	78%	0.781	S	S	*	*			trans	-46.8	128.6	171.1	-63.2	-38.5	0	0	0	112.3	Y933	Y933-N935 PolarHBondContact O-N 3.11Å
936	N	26.8	Very low	25.4	Very low	168 Å²	168	147.1 Å²	147.1	90%	0.898	78%	0.776	S	S	*	*			trans	-129	89.2	147	-96.3	-15.5	0	0	0	108	N938	N936-N938 PolarHBondContact O-N 3.2Å
937	S	25.5	Very low	25.6	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	77%	0.768	S	S	*	*			trans	-61.6	109.3	166.9	49.8	0	0	0	0	110.1
938	N	26.9	Very low	25.7	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	76%	0.755	S	S	*	*			trans	-118.1	97.7	151.5	-83.3	-16.8	0	0	0	106.3	N936 I940	N936-N938 PolarHBondContact O-N 3.2Å; N938-I940 PolarHBondContact O-N 2.94Å
939	S	25	Very low	26	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	77%	0.766	S	S	*	*			trans	-55.7	101.1	176.5	48.1	0	0	0	0	110.4	E941	S939-E941 PolarHBondContact O-N 2.76Å
940	I	27.2	Very low	26.1	Very low	148 Å²	148	136.1 Å²	136.1	76%	0.759	75%	0.748	S	S	*	*			trans	-78.5	102.8	157.6	-64	170.3	0	0	0	104.5	N938 E942	N938-I940 PolarHBondContact O-N 2.94Å; I940-E942 VanDerWaalsContact C-N 3.31Å; I940-E942 HydrophobicContact CG2-CG 4.41Å; I940-E942 PolarHBondContact O-N 3.19Å
941	E	24.2	Very low	26.4	Very low	187 Å²	187	136.2 Å²	136.2	87%	0.874	75%	0.754	S	S	*	*			trans	-65.4	94.3	168.6	-76.5	-176.9	158.4	0	0	108.2	S939 S943	S939-E941 PolarHBondContact O-N 2.76Å; E941-S943 PolarHBondContact O-N 2.89Å
942	E	26.5	Very low	26.6	Very low	175 Å²	175	138 Å²	138	82%	0.818	75%	0.753	S	S	*	*			trans	-65.5	118.1	167.2	-74.9	-178.1	161.8	0	0	108.9	I940	I940-E942 VanDerWaalsContact C-N 3.31Å; I940-E942 HydrophobicContact CG2-CG 4.41Å; I940-E942 PolarHBondContact O-N 3.19Å
943	S	26.4	Very low	26.6	Very low	89 Å²	89	138.6 Å²	138.6	62%	0.622	75%	0.75	S	S	*	*			trans	-67.1	129.6	176.5	-144.3	0	0	0	0	109.3	E941 L945	E941-S943 PolarHBondContact O-N 2.89Å; S943-L945 VanDerWaalsContact C-N 3.3Å; S943-L945 PolarHBondContact O-N 3.07Å
944	P	29.1	Very low	26.7	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	75%	0.751	S	S	*	*			trans	-75.1	81.1	-174.5	29.3	-33.1	0	0	0	110.7
945	L	26.9	Very low	27	Very low	104 Å²	104	139 Å²	139	55%	0.545	74%	0.744	S	S	.	*			trans	-95.7	64	166.6	-79.2	172.8	0	0	0	109.2	S943	S943-L945 VanDerWaalsContact C-N 3.3Å; S943-L945 PolarHBondContact O-N 3.07Å
946	V	29.8	Very low	27.2	Very low	106 Å²	106	138.4 Å²	138.4	64%	0.642	74%	0.741	S	S	*	*			trans	-116.4	99	170.5	-166.2	0	0	0	0	106.7	S948	V946-S948 PolarHBondContact O-N 3.18Å
947	H	26.9	Very low	27.1	Very low	161 Å²	161	137 Å²	137	75%	0.745	74%	0.738	S	S	*	*			trans	-69	68.1	155.5	-83.8	-71.2	0	0	0	107.2	F949	H947-F949 PolarHBondContact O-N 3.17Å
948	S	27.4	Very low	27	Very low	64 Å²	64	141 Å²	141	45%	0.448	74%	0.743	S	S	.	*			trans	-75.4	106.1	166.6	47	0	0	0	0	105.5	V946 S950	V946-S948 PolarHBondContact O-N 3.18Å; S948-S950 WeakPolarHBondContact CB-OG 3.29Å; S948-S950 PolarHBondContact O-N 3.3Å; S948-S950 PolarHBondContact OG-OG 3.12Å
949	F	28	Very low	26.9	Very low	208 Å²	208	142.1 Å²	142.1	91%	0.912	74%	0.741	S	S	*	*			trans	-67.6	67.9	156.5	-68.8	-84.3	0	0	0	107.9	H947	H947-F949 PolarHBondContact O-N 3.17Å
950	S	28.4	Very low	26.8	Very low	70 Å²	70	144.9 Å²	144.9	49%	0.49	74%	0.743	S	S	.	*			trans	-119.7	106.9	165.6	52.6	0	0	0	0	105.1	S948 E952	S948-S950 WeakPolarHBondContact CB-OG 3.29Å; S948-S950 PolarHBondContact O-N 3.3Å; S948-S950 PolarHBondContact OG-OG 3.12Å; S950-E952 VanDerWaalsContact C-N 3.26Å; S950-E952 PolarHBondContact O-N 2.86Å
951	D	27.4	Very low	26.7	Very low	170 Å²	170	144 Å²	144	91%	0.909	74%	0.74	S	S	*	*			trans	-56.4	86	178.4	-74.9	-42.8	0	0	0	110.8	N953	D951-N953 PolarHBondContact O-N 2.82Å
952	E	26.8	Very low	26.7	Very low	162 Å²	162	142.6 Å²	142.6	76%	0.757	73%	0.733	S	S	*	*			trans	-75	98.1	164	-76.8	-90.1	158.1	0	0	107.4	S950	S950-E952 VanDerWaalsContact C-N 3.26Å; S950-E952 PolarHBondContact O-N 2.86Å
953	N	27.3	Very low	26.6	Very low	134 Å²	134	145.3 Å²	145.3	72%	0.717	74%	0.738	S	S	*	*			trans	147.8	78.7	144.5	-76.6	-42.3	0	0	0	112.1	D951	D951-N953 PolarHBondContact O-N 2.82Å
954	Y	25.3	Very low	26.6	Very low	232 Å²	232	149.4 Å²	149.4	91%	0.91	75%	0.751	S	S	*	*			trans	-141.2	106.5	148.6	-88.5	-75.6	0	0	0	110.2
955	P	32.3	Very low	26.4	Very low	108 Å²	108	152.6 Å²	152.6	70%	0.701	75%	0.753	S	S	*	*			trans	-79.3	124.4	175.3	32.2	-28.9	0	0	0	108.6
956	N	26.5	Very low	26.2	Very low	130 Å²	130	152.5 Å²	152.5	70%	0.695	76%	0.761	S	S	*	*			trans	156.4	89.9	141.8	-78.3	-25.6	0	0	0	109.7	F958	N956-F958 PolarHBondContact O-N 2.87Å
957	T	24.5	Very low	26	Very low	137 Å²	137	157.5 Å²	157.5	84%	0.84	77%	0.774	S	S	*	*			trans	10.8	72.4	133.2	30.8	0	0	0	0	116.9	K959	T957-K959 PolarHBondContact O-N 2.86Å
958	F	23.4	Very low	25.8	Very low	188 Å²	188	158.6 Å²	158.6	83%	0.825	78%	0.78	S	S	*	*			trans	-85.7	96.4	156.4	-101.1	-88	0	0	0	108.8	N956 M960	N956-F958 PolarHBondContact O-N 2.87Å; F958-M960 PolarHBondContact O-N 3.43Å
959	K	26.1	Very low	25.7	Very low	179 Å²	179	160.9 Å²	160.9	78%	0.778	80%	0.796	S	S	*	*			trans	-51.6	104.6	165	-74.7	176.1	175.6	175.1	0	108.9	T957	T957-K959 PolarHBondContact O-N 2.86Å
960	M	23.4	Very low	25.5	Very low	168 Å²	168	158 Å²	158	83%	0.828	79%	0.789	S	S	*	*			trans	-108.8	89.6	165.6	-156.6	40.7	60.8	0	0	109.2	F958	F958-M960 PolarHBondContact O-N 3.43Å
961	N	23.2	Very low	25.5	Very low	128 Å²	128	162.9 Å²	162.9	68%	0.684	81%	0.809	S	S	*	*			trans	-78.2	129.6	173.5	-90.2	-22	0	0	0	109.8
962	H	24.9	Very low	25.4	Very low	158 Å²	158	158.8 Å²	158.8	73%	0.731	79%	0.794	S	S	*	*			trans	65.5	70	136.8	-113	-72.6	0	0	0	119.2
963	Y	25.5	Very low	25.6	Very low	233 Å²	233	157.7 Å²	157.7	91%	0.914	80%	0.798	S	S	*	*			trans	-141.1	64.7	154	-91.8	-80.6	0	0	0	111.6
964	L	25.6	Very low	25.6	Very low	174 Å²	174	160.4 Å²	160.4	91%	0.911	80%	0.803	S	S	*	*			trans	-137.6	75	167.4	-85.1	162.9	0	0	0	108.8
965	K	24	Very low	26.1	Very low	191 Å²	191	155.2 Å²	155.2	83%	0.83	79%	0.787	S	S	*	*			trans	-144.6	74.1	165.7	-93.1	-165.2	178.2	-178.7	0	109.8
966	S	24.4	Very low	26.3	Very low	102 Å²	102	155 Å²	155	71%	0.713	78%	0.78	S	S	*	*			trans	166.5	113	148.8	47.9	0	0	0	0	107
967	F	24.5	Very low	27.2	Very low	211 Å²	211	155.1 Å²	155.1	93%	0.925	78%	0.78	S	S	*	*			trans	173.7	84.3	146.7	-96.4	-68.3	0	0	0	106.2
968	E	23.4	Very low	28.6	Very low	183 Å²	183	149.3 Å²	149.3	86%	0.855	75%	0.747	S	S	*	*			trans	-70.8	143	164.4	-76.2	175.8	151	0	0	109.6
969	S	24.7	Very low	30.4	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	73%	0.729	S	S	*	*			trans	61.6	83.2	160.3	58.6	0	0	0	0	118.3
970	I	24.5	Very low	32.5	Very low	149 Å²	149	137.1 Å²	137.1	76%	0.764	70%	0.696	S	S	*	*			trans	-139.6	99.8	138.3	-58.5	-177.3	0	0	0	107.8	S972	I970-S972 PolarHBondContact O-N 2.8Å
971	D	27.6	Very low	35	Very low	172 Å²	172	131.8 Å²	131.8	92%	0.92	67%	0.673	S	S	*	*			trans	-57.7	103.3	162.9	-75.5	-40.2	0	0	0	108.7
972	S	26.5	Very low	37.7	Very low	84 Å²	84	127.1 Å²	127.1	59%	0.587	65%	0.647	S	S	*	*			trans	-143.3	105.6	170.3	45.6	0	0	0	0	109.5	I970 K974	I970-S972 PolarHBondContact O-N 2.8Å; S972-K974 PolarHBondContact O-N 3.15Å
973	V	29.5	Very low	40.4	Very low	138 Å²	138	121 Å²	121	84%	0.836	62%	0.62	S	S	*	*			trans	-10.9	95.2	162.7	-173.3	0	0	0	0	113.1	Q975	V973-Q975 PolarHBondContact O-N 3.29Å
974	K	28.9	Very low	43.3	Very low	191 Å²	191	114.3 Å²	114.3	83%	0.83	59%	0.594	S	S	*	*			trans	-80.7	109.4	162.7	-73.7	-177.2	177.7	178.3	0	106.7	S972 D976	S972-K974 PolarHBondContact O-N 3.15Å; K974-D976 PolarHBondContact O-N 3.4Å
975	Q	34.8	Very low	46.3	Very low	124 Å²	124	111.5 Å²	111.5	58%	0.579	57%	0.574	S	S	*	*			trans	-63.9	116.9	176.4	-81.9	163.7	-42.8	0	0	110	V973 L977	V973-Q975 PolarHBondContact O-N 3.29Å; Q975-L977 PolarHBondContact O-N 3.01Å; Q975-L977 VanDerWaalsContact O-N 3.15Å
976	D	35.9	Very low	49.5	Very low	103 Å²	103	103.2 Å²	103.2	55%	0.551	54%	0.539	S	S	*	.			trans	-65.1	105	173	-64.3	-42.8	0	0	0	109.8	K974 G978	K974-D976 PolarHBondContact O-N 3.4Å; D976-G978 PolarHBondContact O-N 3.45Å
977	L	46.2	Very low	52.6	Low	133 Å²	133	100.6 Å²	100.6	70%	0.696	52%	0.517	S	S	*	.			trans	-71.9	93.3	170.7	-96.1	91.2	0	0	0	109	Q975 Q979	Q975-L977 PolarHBondContact O-N 3.01Å; Q975-L977 VanDerWaalsContact O-N 3.15Å; L977-Q979 PolarHBondContact O-N 3.31Å
978	G	53.8	Low	55.8	Low	14 Å²	14	96.7 Å²	96.7	14%	0.144	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-67.3	120.8	168.9	0	0	0	0	0	110.8	E909 D976	E909-G978 CarbonylContact O-C 3.49Å; E909-G978 VanDerWaalsContact O-CA 3.22Å; E909-G978 WeakPolarHBondContact O-CA 3.49Å; D976-G978 PolarHBondContact O-N 3.45Å
979	Q	61.5	Low	59	Low	95 Å²	95	89.2 Å²	89.2	44%	0.444	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.6	176.6	-171.7	166.5	-1.2	0	0	109.1	E909 L977	E909-Q979 PolarHBondContact N-O 2.95Å; E909-Q979 PolarHBondContact O-N 2.81Å; L977-Q979 PolarHBondContact O-N 3.31Å
980	I	70.4	Confident	61.9	Low	16 Å²	16	88.6 Å²	88.6	8%	0.082	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.1	178	-59.4	164.5	0	0	0	109.1	V906 F982 Y996 K999	V906-I980 HydrophobicContact CG1-CG2 3.29Å; I980-F982 HydrophobicContact CG2-CE1 4.5Å; I980-F982 HydrophobicContact CG2-CE2 4.36Å; I980-F982 HydrophobicContact CG2-CZ 4.25Å; I980-Y996 HydrophobicContact CD1-CD1 4.01Å; I980-Y996 HydrophobicContact CD1-CE1 4.41Å; I980-K999 HydrophobicContact CD1-CB 3.89Å; I980-K999 HydrophobicContact CD1-CD 3.61Å; I980-K999 HydrophobicContact CD1-CG 3.45Å; I980-K999 VanDerWaalsContact CD1-CG 3.45Å; I980-K999 HydrophobicContact CG1-CD 3.9Å; I980-K999 HydrophobicContact CG1-CG 4.16Å
981	T	76.2	Confident	64.5	Low	57 Å²	57	82 Å²	82	35%	0.35	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.9	173.5	-56.5	0	0	0	0	109.9	E907 T983	E907-T981 PolarHBondContact N-O 3.42Å; E907-T981 PolarHBondContact O-N 3.41Å; T981-T983 PolarHBondContact O-N 2.88Å
982	F	79.3	Confident	66.6	Low	30 Å²	30	77.6 Å²	77.6	13%	0.132	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.7	175.6	-68.1	-75.2	0	0	0	110	P773 M775 C776 V906 I980 Y984 L1000	P773-F982 HydrophobicContact CG-CE1 4.15Å; M775-F982 HydrophobicContact CB-CE2 4.26Å; M775-F982 HydrophobicContact CB-CZ 4.16Å; C776-F982 HydrophobicContact CB-CD1 3.99Å; C776-F982 HydrophobicContact CB-CE1 4.27Å; V906-F982 HydrophobicContact CG2-CD1 4.05Å; V906-F982 HydrophobicContact CG2-CE1 4.19Å; I980-F982 HydrophobicContact CG2-CE1 4.5Å; I980-F982 HydrophobicContact CG2-CE2 4.36Å; I980-F982 HydrophobicContact CG2-CZ 4.25Å; F982-Y984 VanDerWaalsContact C-N 3.28Å; F982-Y984 HydrophobicContact CB-CD1 4.44Å; F982-Y984 HydrophobicContact CB-CD2 4.28Å; F982-Y984 HydrophobicContact CB-CE1 4Å; F982-Y984 HydrophobicContact CB-CE2 3.81Å; F982-Y984 WeakPolarHBondContact O-CD2 3.1Å; F982-Y984 WeakPolarHBondContact O-CE2 3.38Å; F982-Y984 PolarHBondContact O-N 2.94Å; F982-L1000 HydrophobicContact CE2-CD2 3.9Å; F982-L1000 HydrophobicContact CZ-CD1 4.44Å; F982-L1000 HydrophobicContact CZ-CD2 3.52Å; F982-L1000 HydrophobicContact CZ-CG 4.41Å
983	T	81	Confident	68.5	Low	29 Å²	29	80 Å²	80	18%	0.178	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-20.6	177.9	66.9	0	0	0	0	113.1	S905 E907 T981 K985	S905-T983 PolarHBondContact O-OG1 3.44Å; S905-T983 PolarHBondContact OG-OG1 3.37Å; E907-T983 HydrophobicContact CB-CG2 4.37Å; E907-T983 VanDerWaalsContact CD-CG2 3.48Å; E907-T983 HydrophobicContact CG-CG2 3.68Å; E907-T983 WeakPolarHBondContact OE1-CG2 3.48Å; T981-T983 PolarHBondContact O-N 2.88Å; T983-K985 PolarHBondContact O-N 3.39Å; T983-K985 PolarHBondContact OG1-N 3.03Å
984	Y	86.3	Confident	70.1	Confident	93 Å²	93	76.5 Å²	76.5	37%	0.365	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.7	16.8	-172.4	-51.9	-80.7	0	0	0	114.8	V755 N757 M775 C776 F904 F982	V755-Y984 HydrophobicContact CG2-CD2 4.24Å; N757-Y984 PolarHBondContact ND2-O 3.17Å; N757-Y984 VanDerWaalsContact ND2-O 3.09Å; N757-Y984 PolarHBondContact OD1-O 3.02Å; M775-Y984 WeakPolarHBondContact O-CE1 2.97Å; C776-Y984 WeakPolarHBondContact O-CD1 3.1Å; F904-Y984 WeakPolarHBondContact CE1-O 3.36Å; F982-Y984 VanDerWaalsContact C-N 3.28Å; F982-Y984 HydrophobicContact CB-CD1 4.44Å; F982-Y984 HydrophobicContact CB-CD2 4.28Å; F982-Y984 HydrophobicContact CB-CE1 4Å; F982-Y984 HydrophobicContact CB-CE2 3.81Å; F982-Y984 WeakPolarHBondContact O-CD2 3.1Å; F982-Y984 WeakPolarHBondContact O-CE2 3.38Å; F982-Y984 PolarHBondContact O-N 2.94Å
985	K	88.3	Confident	72	Confident	114 Å²	114	72.6 Å²	72.6	50%	0.496	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.3	-179.1	-167.5	172.2	-175.5	174.8	0	110.4	V755 F904 S905 T983	V755-K985 HydrophobicContact CG1-CB 4.48Å; F904-K985 WeakPolarHBondContact CA-O 3.39Å; S905-K985 PolarHBondContact N-O 2.84Å; S905-K985 VanDerWaalsContact N-O 3.15Å; S905-K985 PolarHBondContact OG-O 3.37Å; T983-K985 PolarHBondContact O-N 3.39Å; T983-K985 PolarHBondContact OG1-N 3.03Å
986	L	92.1	Very high	73.8	Confident	17 Å²	17	67.4 Å²	67.4	9%	0.089	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.7	176.7	-167.8	78.1	0	0	0	110.1	N757 I770 Y781 Y902 F904	N757-L986 WeakPolarHBondContact OD1-CB 3.1Å; N757-L986 PolarHBondContact OD1-N 3.03Å; I770-L986 HydrophobicContact CG2-CD1 3.85Å; Y781-L986 HydrophobicContact CE1-CD2 3.9Å; Y781-L986 HydrophobicContact CE2-CD2 3.88Å; Y781-L986 VanDerWaalsContact CZ-CD2 3.46Å; Y781-L986 WeakPolarHBondContact OH-CD2 3.42Å; Y902-L986 HydrophobicContact CD1-CD2 3.74Å; Y902-L986 HydrophobicContact CD1-CG 3.97Å; Y902-L986 HydrophobicContact CE1-CD2 4.48Å; Y902-L986 HydrophobicContact CG-CD2 4.08Å; Y902-L986 HydrophobicContact CG-CG 4.36Å; F904-L986 HydrophobicContact CD1-CD1 4.46Å; F904-L986 HydrophobicContact CD2-CD1 3.96Å; F904-L986 HydrophobicContact CE1-CB 4.2Å; F904-L986 HydrophobicContact CE1-CD1 4.22Å; F904-L986 HydrophobicContact CE2-CD1 3.69Å; F904-L986 HydrophobicContact CG-CD1 4.35Å; F904-L986 HydrophobicContact CZ-CB 4.44Å; F904-L986 HydrophobicContact CZ-CD1 3.82Å
987	N	90.3	Very high	75.7	Confident	48 Å²	48	64.8 Å²	64.8	26%	0.257	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.2	174.9	-63.2	-53.2	0	0	0	110.5	Y902 Y903 S905	Y902-N987 CarbonylContact C-O 3.32Å; Y902-N987 VanDerWaalsContact CA-O 3.29Å; Y902-N987 WeakPolarHBondContact CA-O 3.44Å; Y903-N987 HydrophobicContact CD1-CB 4.25Å; Y903-N987 HydrophobicContact CE1-CB 3.71Å; Y903-N987 HydrophobicContact CE2-CB 4.33Å; Y903-N987 PolarHBondContact N-O 2.87Å; Y903-N987 PolarHBondContact O-N 3.03Å; S905-N987 VanDerWaalsContact CB-ND2 3.27Å; S905-N987 WeakPolarHBondContact CB-ND2 3.15Å; S905-N987 PolarHBondContact OG-ND2 3.07Å
988	K	90.9	Very high	77.3	Confident	128 Å²	128	60.1 Å²	60.1	56%	0.557	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.1	174.8	178.9	174.1	170.1	161.8	0	110.2	E900 Y902	E900-K988 WeakPolarHBondContact OE1-CD 3.19Å; E900-K988 WeakPolarHBondContact OE1-CE 3.28Å; E900-K988 IonicContact OE1-NZ 2.82Å; E900-K988 PolarHBondContact OE1-NZ 2.89Å; Y902-K988 HydrophobicContact CD1-CB 4.17Å; Y902-K988 HydrophobicContact CE1-CB 3.9Å; Y902-K988 HydrophobicContact CE1-CG 4.35Å
989	G	90.2	Very high	78.4	Confident	26 Å²	26	62.1 Å²	62.1	27%	0.268	32%	0.322	S	S	.	.	S	Bend	trans	122.4	-163.8	176.9	0	0	0	0	0	112.8	N901 Y902	N901-G989 CarbonylContact C-O 3.55Å; N901-G989 VanDerWaalsContact C-O 3.27Å; N901-G989 WeakPolarHBondContact CB-O 3.49Å; N901-G989 PolarHBondContact O-N 2.73Å; Y902-G989 PolarHBondContact N-O 3.42Å
990	I	85.6	Confident	79.1	Confident	99 Å²	99	58.6 Å²	58.6	51%	0.508	31%	0.306	S	S	.	.			trans	-106	127.4	179.5	-58.1	171.6	0	0	0	107	T890 N901	T890-I990 HydrophobicContact CG2-CG2 4.42Å; N901-I990 HydrophobicContact CB-CG1 4.13Å
991	S	79.9	Confident	79.5	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.084	31%	0.31	C	S	.	.			trans	-62.1	144.1	172.5	-173.6	0	0	0	0	110	K993	S991-K993 PolarHBondContact O-N 3.44Å
992	P	71.7	Confident	79.7	Confident	79 Å²	79	58.3 Å²	58.3	51%	0.513	30%	0.302	S	S	.	.			trans	-53.6	134.2	159.5	24	-31.3	0	0	0	109.1	I994	P992-I994 HydrophobicContact CB-CD1 4.14Å; P992-I994 HydrophobicContact CB-CG1 4.18Å; P992-I994 HydrophobicContact CG-CD1 3.79Å; P992-I994 HydrophobicContact CG-CG1 4.31Å; P992-I994 PolarHBondContact O-N 3.14Å
993	K	64.9	Low	79.4	Confident	135 Å²	135	62.5 Å²	62.5	59%	0.587	33%	0.325	S	S	*	.			trans	-67.3	97.4	178.4	-173	169.2	178.3	165.7	0	107.9	Y887 E888 S991	Y887-K993 HydrophobicContact CD2-CG 4.2Å; E888-K993 IonicContact OE1-NZ 3.94Å; E888-K993 PolarHBondContact OE1-NZ 2.89Å; E888-K993 VanDerWaalsContact OE1-NZ 3.13Å; S991-K993 PolarHBondContact O-N 3.44Å
994	I	64.4	Low	79.2	Confident	63 Å²	63	64.7 Å²	64.7	32%	0.323	34%	0.339	S	S	.	.			trans	-121	123	179.3	-57.2	168.9	0	0	0	108.3	P992 Y996	P992-I994 HydrophobicContact CB-CD1 4.14Å; P992-I994 HydrophobicContact CB-CG1 4.18Å; P992-I994 HydrophobicContact CG-CD1 3.79Å; P992-I994 HydrophobicContact CG-CG1 4.31Å; P992-I994 PolarHBondContact O-N 3.14Å; I994-Y996 HydrophobicContact CB-CD2 4.07Å; I994-Y996 HydrophobicContact CB-CE2 3.55Å; I994-Y996 HydrophobicContact CD1-CE2 4.32Å; I994-Y996 HydrophobicContact CG2-CD1 4.38Å; I994-Y996 HydrophobicContact CG2-CD2 3.82Å; I994-Y996 HydrophobicContact CG2-CE1 3.99Å; I994-Y996 HydrophobicContact CG2-CE2 3.39Å; I994-Y996 HydrophobicContact CG2-CG 4.3Å; I994-Y996 VanDerWaalsContact CG2-CZ 3.46Å; I994-Y996 WeakPolarHBondContact O-CD2 3.32Å; I994-Y996 PolarHBondContact O-N 2.92Å
995	M	68.1	Low	78.8	Confident	110 Å²	110	65.4 Å²	65.4	54%	0.542	36%	0.364	S	S	.	.			trans	-87.4	88.2	-178.2	-69.6	175.7	131.2	0	0	110.5	G997 L1018 I1022	M995-G997 VanDerWaalsContact C-N 3.33Å; M995-G997 PolarHBondContact O-N 3.32Å; M995-L1018 HydrophobicContact CB-CD2 4.42Å; M995-L1018 HydrophobicContact CE-CD1 4.14Å; M995-L1018 HydrophobicContact SD-CD1 3.74Å; M995-L1018 HydrophobicContact SD-CD2 4.06Å; M995-L1018 HydrophobicContact SD-CG 4.38Å; M995-I1022 HydrophobicContact SD-CD1 4.49Å
996	Y	71.9	Confident	78.4	Confident	14 Å²	14	63.6 Å²	63.6	6%	0.055	36%	0.359	C	S	.	.			trans	-78.2	-8.2	-177.2	-76.2	-76.1	0	0	0	115.4	P773 V906 E908 I980 I994 I998 K999 L1000	P773-Y996 HydrophobicContact CB-CD2 3.75Å; P773-Y996 HydrophobicContact CB-CG 4.04Å; P773-Y996 HydrophobicContact CG-CD2 3.75Å; P773-Y996 HydrophobicContact CG-CE2 4.25Å; P773-Y996 HydrophobicContact CG-CG 4.27Å; V906-Y996 HydrophobicContact CB-CE2 4.42Å; V906-Y996 HydrophobicContact CG1-CE1 3.95Å; V906-Y996 HydrophobicContact CG2-CE2 4.43Å; E908-Y996 WeakPolarHBondContact OE1-CE1 3.47Å; E908-Y996 PolarHBondContact OE1-OH 2.94Å; I980-Y996 HydrophobicContact CD1-CD1 4.01Å; I980-Y996 HydrophobicContact CD1-CE1 4.41Å; I994-Y996 HydrophobicContact CB-CD2 4.07Å; I994-Y996 HydrophobicContact CB-CE2 3.55Å; I994-Y996 HydrophobicContact CD1-CE2 4.32Å; I994-Y996 HydrophobicContact CG2-CD1 4.38Å; I994-Y996 HydrophobicContact CG2-CD2 3.82Å; I994-Y996 HydrophobicContact CG2-CE1 3.99Å; I994-Y996 HydrophobicContact CG2-CE2 3.39Å; I994-Y996 HydrophobicContact CG2-CG 4.3Å; I994-Y996 VanDerWaalsContact CG2-CZ 3.46Å; I994-Y996 WeakPolarHBondContact O-CD2 3.32Å; I994-Y996 PolarHBondContact O-N 2.92Å; Y996-I998 PolarHBondContact O-N 3.17Å; Y996-K999 HydrophobicContact CD1-CD 4.47Å; Y996-K999 PolarHBondContact O-N 3.02Å; Y996-L1000 WeakPolarHBondContact O-CB 3.46Å; Y996-L1000 WeakPolarHBondContact O-CG 3.4Å; Y996-L1000 PolarHBondContact O-N 3.19Å
997	G	76	Confident	78	Confident	49 Å²	49	65.9 Å²	65.9	51%	0.505	38%	0.375	S	S	.	.	H	α-helix	trans	-55.9	-49.7	-170.8	0	0	0	0	0	114.1	M995 A1001	M995-G997 VanDerWaalsContact C-N 3.33Å; M995-G997 PolarHBondContact O-N 3.32Å; G997-A1001 WeakPolarHBondContact O-CB 3.44Å; G997-A1001 PolarHBondContact O-N 2.87Å
998	I	79.7	Confident	77.6	Confident	35 Å²	35	67.8 Å²	67.8	18%	0.179	38%	0.382	C	S	.	.	H	α-helix	trans	-68.7	-40.5	178.8	-61.5	171.3	0	0	0	110.8	Y996 L1000 A1001 R1002 L1011 A1014 E1015 L1018	Y996-I998 PolarHBondContact O-N 3.17Å; I998-L1000 VanDerWaalsContact C-N 3.35Å; I998-L1000 PolarHBondContact O-N 3.43Å; I998-A1001 WeakPolarHBondContact O-CB 3.33Å; I998-A1001 PolarHBondContact O-N 3.02Å; I998-A1001 VanDerWaalsContact O-N 3.16Å; I998-R1002 PolarHBondContact O-N 2.97Å; I998-L1011 HydrophobicContact CG2-CD2 4.34Å; I998-A1014 HydrophobicContact CD1-CB 3.99Å; I998-A1014 HydrophobicContact CG1-CB 4.25Å; I998-E1015 HydrophobicContact CD1-CB 4.45Å; I998-E1015 HydrophobicContact CG2-CB 4.45Å; I998-L1018 HydrophobicContact CD1-CB 4.05Å; I998-L1018 HydrophobicContact CD1-CD2 3.74Å
999	K	76.8	Confident	77.2	Confident	56 Å²	56	65.4 Å²	65.4	24%	0.243	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-37.9	-179.8	-156.6	174.6	170.6	176.8	0	112	E908 I980 Y996 R1002	E908-K999 IonicContact OE1-NZ 3.88Å; E908-K999 PolarHBondContact OE1-NZ 3.16Å; E908-K999 IonicContact OE2-NZ 3.44Å; E908-K999 PolarHBondContact OE2-NZ 2.86Å; I980-K999 HydrophobicContact CD1-CB 3.89Å; I980-K999 HydrophobicContact CD1-CD 3.61Å; I980-K999 HydrophobicContact CD1-CG 3.45Å; I980-K999 VanDerWaalsContact CD1-CG 3.45Å; I980-K999 HydrophobicContact CG1-CD 3.9Å; I980-K999 HydrophobicContact CG1-CG 4.16Å; Y996-K999 HydrophobicContact CD1-CD 4.47Å; Y996-K999 PolarHBondContact O-N 3.02Å; K999-R1002 WeakPolarHBondContact O-CB 3.06Å; K999-R1002 PolarHBondContact O-N 3.38Å
1000	L	76.1	Confident	77	Confident	20 Å²	20	67.8 Å²	67.8	11%	0.105	38%	0.379	C	S	.	.	H	α-helix	trans	-66.9	-41.1	170.8	-81.4	166.7	0	0	0	112	P774 M775 F982 Y996 I998 R1002 L1003	P774-L1000 HydrophobicContact CB-CD1 4.27Å; P774-L1000 HydrophobicContact CG-CD1 4.47Å; M775-L1000 HydrophobicContact SD-CD2 4.31Å; F982-L1000 HydrophobicContact CE2-CD2 3.9Å; F982-L1000 HydrophobicContact CZ-CD1 4.44Å; F982-L1000 HydrophobicContact CZ-CD2 3.52Å; F982-L1000 HydrophobicContact CZ-CG 4.41Å; Y996-L1000 WeakPolarHBondContact O-CB 3.46Å; Y996-L1000 WeakPolarHBondContact O-CG 3.4Å; Y996-L1000 PolarHBondContact O-N 3.19Å; I998-L1000 VanDerWaalsContact C-N 3.35Å; I998-L1000 PolarHBondContact O-N 3.43Å; L1000-R1002 PolarHBondContact O-N 3.39Å; L1000-L1003 HydrophobicContact CD2-CD1 4.15Å; L1000-L1003 VanDerWaalsContact O-CB 3.31Å; L1000-L1003 WeakPolarHBondContact O-CB 3.45Å; L1000-L1003 PolarHBondContact O-N 3.25Å
1001	A	80.2	Confident	77	Confident	22 Å²	22	63.3 Å²	63.3	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-29.8	177	0	0	0	0	0	112.4	G997 I998 L1003 T1004 L1006 L1011	G997-A1001 WeakPolarHBondContact O-CB 3.44Å; G997-A1001 PolarHBondContact O-N 2.87Å; I998-A1001 WeakPolarHBondContact O-CB 3.33Å; I998-A1001 PolarHBondContact O-N 3.02Å; I998-A1001 VanDerWaalsContact O-N 3.16Å; A1001-L1003 PolarHBondContact O-N 3.34Å; A1001-T1004 WeakPolarHBondContact O-CB 3.01Å; A1001-T1004 PolarHBondContact O-N 3.35Å; A1001-T1004 PolarHBondContact O-OG1 3.41Å; A1001-L1006 HydrophobicContact CB-CD1 3.93Å; A1001-L1011 HydrophobicContact CB-CD2 3.49Å; A1001-L1011 VanDerWaalsContact CB-CD2 3.49Å
1002	R	80.5	Confident	77.3	Confident	46 Å²	46	64.2 Å²	64.2	17%	0.174	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.2	170.4	-74.1	-179	-175	-80.4	6.8	113.9	I998 K999 L1000 T1004 L1011 D1012 E1015	I998-R1002 PolarHBondContact O-N 2.97Å; K999-R1002 WeakPolarHBondContact O-CB 3.06Å; K999-R1002 PolarHBondContact O-N 3.38Å; L1000-R1002 PolarHBondContact O-N 3.39Å; R1002-T1004 VanDerWaalsContact C-N 3.25Å; R1002-L1011 HydrophobicContact CB-CD1 4.31Å; R1002-L1011 HydrophobicContact CG-CB 4.12Å; R1002-L1011 HydrophobicContact CG-CD1 3.78Å; R1002-L1011 HydrophobicContact CG-CD2 4.3Å; R1002-L1011 HydrophobicContact CG-CG 4.28Å; R1002-D1012 IonicContact CZ-OD1 3.27Å; R1002-D1012 VanDerWaalsContact CZ-OD1 3.27Å; R1002-D1012 IonicContact NH1-OD1 2.84Å; R1002-D1012 PolarHBondContact NH1-OD1 2.76Å; R1002-D1012 IonicContact NH2-OD1 2.71Å; R1002-D1012 PolarHBondContact NH2-OD1 2.84Å; R1002-E1015 IonicContact CZ-OE2 3.27Å; R1002-E1015 IonicContact NE-OE2 2.58Å; R1002-E1015 IonicContact NH2-OE2 2.7Å; R1002-E1015 PolarHBondContact NH2-OE2 2.69Å
1003	L	72.7	Confident	77.9	Confident	117 Å²	117	61.6 Å²	61.6	61%	0.613	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-6.9	172.7	-57.1	175.3	0	0	0	112.9	L1000 A1001	L1000-L1003 HydrophobicContact CD2-CD1 4.15Å; L1000-L1003 VanDerWaalsContact O-CB 3.31Å; L1000-L1003 WeakPolarHBondContact O-CB 3.45Å; L1000-L1003 PolarHBondContact O-N 3.25Å; A1001-L1003 PolarHBondContact O-N 3.34Å
1004	T	76.6	Confident	78.9	Confident	76 Å²	76	56.8 Å²	56.8	47%	0.466	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	173.7	178.4	74.9	0	0	0	0	111.3	A1001 R1002 L1006	A1001-T1004 WeakPolarHBondContact O-CB 3.01Å; A1001-T1004 PolarHBondContact O-N 3.35Å; A1001-T1004 PolarHBondContact O-OG1 3.41Å; R1002-T1004 VanDerWaalsContact C-N 3.25Å; T1004-L1006 PolarHBondContact O-N 3.42Å
1005	A	76.9	Confident	79.9	Confident	108 Å²	108	57.2 Å²	57.2	89%	0.893	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	20.4	179.8	0	0	0	0	0	114.8
1006	L	80.9	Confident	80.7	Confident	76 Å²	76	56.5 Å²	56.5	40%	0.398	32%	0.321	S	S	.	.			trans	-68.4	131.8	175.2	-91.2	156.4	0	0	0	110	A1001 T1004 Q1008 L1011	A1001-L1006 HydrophobicContact CB-CD1 3.93Å; T1004-L1006 PolarHBondContact O-N 3.42Å; L1006-Q1008 PolarHBondContact O-N 2.91Å; L1006-L1011 HydrophobicContact CB-CD1 3.96Å; L1006-L1011 HydrophobicContact CB-CD2 4.33Å; L1006-L1011 HydrophobicContact CB-CG 4.23Å; L1006-L1011 WeakPolarHBondContact O-CD1 3.5Å
1007	P	84.6	Confident	81.3	Confident	65 Å²	65	58.4 Å²	58.4	42%	0.422	33%	0.332	S	S	.	.			trans	-54.1	132.1	177	-26.7	32.9	0	0	0	112.3	E1009 I1010 L1011	P1007-E1009 PolarHBondContact O-N 3.05Å; P1007-I1010 HydrophobicContact CB-CD1 4.23Å; P1007-I1010 HydrophobicContact CB-CG1 4.26Å; P1007-I1010 HydrophobicContact CG-CD1 4.03Å; P1007-I1010 WeakPolarHBondContact O-CB 3.38Å; P1007-I1010 PolarHBondContact O-N 3.25Å; P1007-L1011 PolarHBondContact O-N 2.62Å
1008	Q	80.5	Confident	81.6	Confident	87 Å²	87	58 Å²	58	41%	0.407	32%	0.318	S	S	.	.	H	α-helix	trans	-57.2	-35.6	-178.3	-65.9	-61.1	-27	0	0	112.3	L1006 I1010 L1011 D1012	L1006-Q1008 PolarHBondContact O-N 2.91Å; Q1008-I1010 PolarHBondContact O-N 3.2Å; Q1008-I1010 VanDerWaalsContact O-N 3.14Å; Q1008-L1011 WeakPolarHBondContact O-CB 3.45Å; Q1008-L1011 PolarHBondContact O-N 3.43Å; Q1008-D1012 WeakPolarHBondContact O-CB 3.4Å; Q1008-D1012 PolarHBondContact O-N 2.9Å
1009	E	83.9	Confident	81.8	Confident	78 Å²	78	60.1 Å²	60.1	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-53.8	-35.4	174.7	-61.3	149.8	-175.2	0	0	113.3	P1007 R1013	P1007-E1009 PolarHBondContact O-N 3.05Å; E1009-R1013 WeakPolarHBondContact O-CB 3.27Å; E1009-R1013 PolarHBondContact O-N 3.12Å
1010	I	85.3	Confident	82	Confident	76 Å²	76	58.3 Å²	58.3	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-76.6	-39.5	177.9	-62.6	178	0	0	0	110.1	W16 P1007 Q1008 R1013 A1014	W16-I1010 HydrophobicContact CH2-CG1 3.93Å; P1007-I1010 HydrophobicContact CB-CD1 4.23Å; P1007-I1010 HydrophobicContact CB-CG1 4.26Å; P1007-I1010 HydrophobicContact CG-CD1 4.03Å; P1007-I1010 WeakPolarHBondContact O-CB 3.38Å; P1007-I1010 PolarHBondContact O-N 3.25Å; Q1008-I1010 PolarHBondContact O-N 3.2Å; Q1008-I1010 VanDerWaalsContact O-N 3.14Å; I1010-R1013 PolarHBondContact O-N 3.01Å; I1010-A1014 WeakPolarHBondContact O-CB 3.35Å; I1010-A1014 PolarHBondContact O-N 3.29Å
1011	L	85.1	Confident	82.2	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-69.7	-42.8	-178.4	-65.7	160.4	0	0	0	111.2	I998 A1001 R1002 L1006 P1007 Q1008 R1013 A1014 E1015	I998-L1011 HydrophobicContact CG2-CD2 4.34Å; A1001-L1011 HydrophobicContact CB-CD2 3.49Å; A1001-L1011 VanDerWaalsContact CB-CD2 3.49Å; R1002-L1011 HydrophobicContact CB-CD1 4.31Å; R1002-L1011 HydrophobicContact CG-CB 4.12Å; R1002-L1011 HydrophobicContact CG-CD1 3.78Å; R1002-L1011 HydrophobicContact CG-CD2 4.3Å; R1002-L1011 HydrophobicContact CG-CG 4.28Å; L1006-L1011 HydrophobicContact CB-CD1 3.96Å; L1006-L1011 HydrophobicContact CB-CD2 4.33Å; L1006-L1011 HydrophobicContact CB-CG 4.23Å; L1006-L1011 WeakPolarHBondContact O-CD1 3.5Å; P1007-L1011 PolarHBondContact O-N 2.62Å; Q1008-L1011 WeakPolarHBondContact O-CB 3.45Å; Q1008-L1011 PolarHBondContact O-N 3.43Å; L1011-R1013 VanDerWaalsContact C-N 3.33Å; L1011-R1013 PolarHBondContact O-N 2.81Å; L1011-A1014 WeakPolarHBondContact O-CB 3.31Å; L1011-A1014 PolarHBondContact O-N 3.12Å; L1011-E1015 WeakPolarHBondContact O-CB 3.19Å; L1011-E1015 PolarHBondContact O-N 2.82Å
1012	D	85.7	Confident	82.1	Confident	31 Å²	31	64.8 Å²	64.8	17%	0.166	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.5	-62.2	-24	0	0	0	110.7	R1002 Q1008 E1015 E1016	R1002-D1012 IonicContact CZ-OD1 3.27Å; R1002-D1012 VanDerWaalsContact CZ-OD1 3.27Å; R1002-D1012 IonicContact NH1-OD1 2.84Å; R1002-D1012 PolarHBondContact NH1-OD1 2.76Å; R1002-D1012 IonicContact NH2-OD1 2.71Å; R1002-D1012 PolarHBondContact NH2-OD1 2.84Å; Q1008-D1012 WeakPolarHBondContact O-CB 3.4Å; Q1008-D1012 PolarHBondContact O-N 2.9Å; D1012-E1015 PolarHBondContact O-N 3.11Å; D1012-E1016 WeakPolarHBondContact O-CB 3.34Å; D1012-E1016 PolarHBondContact O-N 2.95Å
1013	R	85.6	Confident	82	Confident	24 Å²	24	68.7 Å²	68.7	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-65.7	-39.7	174.3	-179.9	56.3	177.7	167.5	3.2	112.2	K13 Y14 K15 W16 E1009 I1010 L1011 E1015 E1016 L1017	K13-R1013 PolarHBondContact O-NH2 3.24Å; Y14-R1013 PolarHBondContact O-NH2 3.01Å; K15-R1013 PolarHBondContact O-NH2 2.95Å; W16-R1013 HydrophobicContact CE3-CB 4.44Å; W16-R1013 HydrophobicContact CE3-CG 3.86Å; W16-R1013 HydrophobicContact CH2-CB 4.38Å; W16-R1013 HydrophobicContact CZ3-CB 3.69Å; W16-R1013 HydrophobicContact CZ3-CG 3.61Å; E1009-R1013 WeakPolarHBondContact O-CB 3.27Å; E1009-R1013 PolarHBondContact O-N 3.12Å; I1010-R1013 PolarHBondContact O-N 3.01Å; L1011-R1013 VanDerWaalsContact C-N 3.33Å; L1011-R1013 PolarHBondContact O-N 2.81Å; R1013-E1015 VanDerWaalsContact C-N 3.29Å; R1013-E1015 PolarHBondContact O-N 3.19Å; R1013-E1016 VanDerWaalsContact CD-OE2 3.32Å; R1013-E1016 WeakPolarHBondContact CD-OE2 3.28Å; R1013-E1016 IonicContact CZ-OE2 3.77Å; R1013-E1016 IonicContact NE-OE2 2.89Å; R1013-E1016 IonicContact NH1-OE1 2.89Å; R1013-E1016 PolarHBondContact NH1-OE1 3.45Å; R1013-E1016 IonicContact NH1-OE2 2.77Å; R1013-E1016 PolarHBondContact NH1-OE2 2.85Å; R1013-E1016 PolarHBondContact O-N 3.44Å; R1013-L1017 HydrophobicContact CG-CD1 4.33Å; R1013-L1017 WeakPolarHBondContact O-CB 3.39Å; R1013-L1017 VanDerWaalsContact O-CG 3.29Å; R1013-L1017 WeakPolarHBondContact O-CG 3.36Å; R1013-L1017 PolarHBondContact O-N 2.99Å
1014	A	85.7	Confident	82	Confident	34 Å²	34	66 Å²	66	28%	0.281	35%	0.352	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176.8	0	0	0	0	0	111.2	I998 I1010 L1011 L1017 L1018	I998-A1014 HydrophobicContact CD1-CB 3.99Å; I998-A1014 HydrophobicContact CG1-CB 4.25Å; I1010-A1014 WeakPolarHBondContact O-CB 3.35Å; I1010-A1014 PolarHBondContact O-N 3.29Å; L1011-A1014 WeakPolarHBondContact O-CB 3.31Å; L1011-A1014 PolarHBondContact O-N 3.12Å; A1014-L1017 PolarHBondContact O-N 2.63Å; A1014-L1018 WeakPolarHBondContact O-CB 3.21Å; A1014-L1018 PolarHBondContact O-N 2.93Å
1015	E	85.3	Confident	81.6	Confident	72 Å²	72	66.7 Å²	66.7	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-68.6	-42.5	176.9	-171	166.9	-169.8	0	0	111.9	I998 R1002 L1011 D1012 R1013 L1017 L1018 N1019	I998-E1015 HydrophobicContact CD1-CB 4.45Å; I998-E1015 HydrophobicContact CG2-CB 4.45Å; R1002-E1015 IonicContact CZ-OE2 3.27Å; R1002-E1015 IonicContact NE-OE2 2.58Å; R1002-E1015 IonicContact NH2-OE2 2.7Å; R1002-E1015 PolarHBondContact NH2-OE2 2.69Å; L1011-E1015 WeakPolarHBondContact O-CB 3.19Å; L1011-E1015 PolarHBondContact O-N 2.82Å; D1012-E1015 PolarHBondContact O-N 3.11Å; R1013-E1015 VanDerWaalsContact C-N 3.29Å; R1013-E1015 PolarHBondContact O-N 3.19Å; E1015-L1017 VanDerWaalsContact C-N 3.33Å; E1015-L1017 PolarHBondContact O-N 2.92Å; E1015-L1018 PolarHBondContact O-N 3.48Å; E1015-N1019 WeakPolarHBondContact O-CB 3.45Å; E1015-N1019 VanDerWaalsContact O-CG 3.29Å; E1015-N1019 PolarHBondContact O-N 3.32Å; E1015-N1019 PolarHBondContact O-ND2 2.75Å
1016	E	84.5	Confident	81.1	Confident	94 Å²	94	66.6 Å²	66.6	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-56.3	-47	172.2	-172	-164	163.1	0	0	111.4	D1012 R1013 N1019 S1020	D1012-E1016 WeakPolarHBondContact O-CB 3.34Å; D1012-E1016 PolarHBondContact O-N 2.95Å; R1013-E1016 VanDerWaalsContact CD-OE2 3.32Å; R1013-E1016 WeakPolarHBondContact CD-OE2 3.28Å; R1013-E1016 IonicContact CZ-OE2 3.77Å; R1013-E1016 IonicContact NE-OE2 2.89Å; R1013-E1016 IonicContact NH1-OE1 2.89Å; R1013-E1016 PolarHBondContact NH1-OE1 3.45Å; R1013-E1016 IonicContact NH1-OE2 2.77Å; R1013-E1016 PolarHBondContact NH1-OE2 2.85Å; R1013-E1016 PolarHBondContact O-N 3.44Å; E1016-N1019 PolarHBondContact O-N 3.1Å; E1016-S1020 WeakPolarHBondContact O-CB 3.35Å; E1016-S1020 PolarHBondContact O-N 3.33Å
1017	L	84.3	Confident	80	Confident	54 Å²	54	67.9 Å²	67.9	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-43	178.2	-73.3	177.9	0	0	0	112	Y14 R1013 A1014 E1015 S1020 Y1021	Y14-L1017 HydrophobicContact CD1-CD2 3.61Å; Y14-L1017 HydrophobicContact CE1-CD2 4.07Å; R1013-L1017 HydrophobicContact CG-CD1 4.33Å; R1013-L1017 WeakPolarHBondContact O-CB 3.39Å; R1013-L1017 VanDerWaalsContact O-CG 3.29Å; R1013-L1017 WeakPolarHBondContact O-CG 3.36Å; R1013-L1017 PolarHBondContact O-N 2.99Å; A1014-L1017 PolarHBondContact O-N 2.63Å; E1015-L1017 VanDerWaalsContact C-N 3.33Å; E1015-L1017 PolarHBondContact O-N 2.92Å; L1017-S1020 PolarHBondContact O-N 3.08Å; L1017-S1020 PolarHBondContact O-OG 2.85Å; L1017-Y1021 PolarHBondContact O-N 3.36Å
1018	L	82.3	Confident	78.3	Confident	42 Å²	42	71 Å²	71	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-46.5	178	179.4	61.9	0	0	0	111.6	M995 I998 A1014 E1015 S1020 Y1021 I1022	M995-L1018 HydrophobicContact CB-CD2 4.42Å; M995-L1018 HydrophobicContact CE-CD1 4.14Å; M995-L1018 HydrophobicContact SD-CD1 3.74Å; M995-L1018 HydrophobicContact SD-CD2 4.06Å; M995-L1018 HydrophobicContact SD-CG 4.38Å; I998-L1018 HydrophobicContact CD1-CB 4.05Å; I998-L1018 HydrophobicContact CD1-CD2 3.74Å; A1014-L1018 WeakPolarHBondContact O-CB 3.21Å; A1014-L1018 PolarHBondContact O-N 2.93Å; E1015-L1018 PolarHBondContact O-N 3.48Å; L1018-S1020 VanDerWaalsContact C-N 3.28Å; L1018-S1020 PolarHBondContact O-N 3.17Å; L1018-Y1021 WeakPolarHBondContact O-CB 3.41Å; L1018-Y1021 PolarHBondContact O-N 2.98Å; L1018-Y1021 VanDerWaalsContact O-N 3.14Å; L1018-I1022 HydrophobicContact CD1-CD1 4.19Å; L1018-I1022 HydrophobicContact CD1-CG1 4.43Å; L1018-I1022 HydrophobicContact CG-CD1 3.96Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.27Å; L1018-I1022 PolarHBondContact O-N 3.26Å
1019	N	83.9	Confident	76.5	Confident	78 Å²	78	73.3 Å²	73.3	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-41	177.1	-69.6	-25.6	0	0	0	111	E1015 E1016 Y1021 I1022 E1023	E1015-N1019 WeakPolarHBondContact O-CB 3.45Å; E1015-N1019 VanDerWaalsContact O-CG 3.29Å; E1015-N1019 PolarHBondContact O-N 3.32Å; E1015-N1019 PolarHBondContact O-ND2 2.75Å; E1016-N1019 PolarHBondContact O-N 3.1Å; N1019-Y1021 VanDerWaalsContact C-N 3.28Å; N1019-Y1021 PolarHBondContact O-N 3.43Å; N1019-I1022 PolarHBondContact O-N 2.99Å; N1019-E1023 WeakPolarHBondContact O-CG 3.5Å; N1019-E1023 PolarHBondContact O-N 2.87Å
1020	S	82.2	Confident	74.6	Confident	18 Å²	18	75.2 Å²	75.2	13%	0.126	38%	0.381	C	S	.	.	H	α-helix	trans	-64.6	-30.3	177	81.1	0	0	0	0	113.8	E1016 L1017 L1018 E1024	E1016-S1020 WeakPolarHBondContact O-CB 3.35Å; E1016-S1020 PolarHBondContact O-N 3.33Å; L1017-S1020 PolarHBondContact O-N 3.08Å; L1017-S1020 PolarHBondContact O-OG 2.85Å; L1018-S1020 VanDerWaalsContact C-N 3.28Å; L1018-S1020 PolarHBondContact O-N 3.17Å; S1020-E1024 WeakPolarHBondContact O-CG 3.39Å; S1020-E1024 PolarHBondContact O-N 2.92Å
1021	Y	78.7	Confident	72.3	Confident	117 Å²	117	77.8 Å²	77.8	46%	0.459	40%	0.396	S	S	.	.	H	α-helix	trans	-74.7	-43.5	175.2	176	-91.6	0	0	0	111.3	L1017 L1018 N1019 E1023 E1024 E1025	L1017-Y1021 PolarHBondContact O-N 3.36Å; L1018-Y1021 WeakPolarHBondContact O-CB 3.41Å; L1018-Y1021 PolarHBondContact O-N 2.98Å; L1018-Y1021 VanDerWaalsContact O-N 3.14Å; N1019-Y1021 VanDerWaalsContact C-N 3.28Å; N1019-Y1021 PolarHBondContact O-N 3.43Å; Y1021-E1023 VanDerWaalsContact C-N 3.29Å; Y1021-E1023 PolarHBondContact O-N 2.91Å; Y1021-E1024 PolarHBondContact O-N 2.83Å; Y1021-E1024 VanDerWaalsContact O-N 3.15Å; Y1021-E1025 VanDerWaalsContact CE1-CD 3.4Å; Y1021-E1025 HydrophobicContact CE1-CG 3.9Å; Y1021-E1025 VanDerWaalsContact CE1-OE1 3.23Å; Y1021-E1025 WeakPolarHBondContact CE1-OE1 3.42Å; Y1021-E1025 PolarHBondContact O-N 2.93Å; Y1021-E1025 PolarHBondContact OH-OE1 3.29Å
1022	I	78.1	Confident	69.8	Low	62 Å²	62	80.8 Å²	80.8	32%	0.318	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-38.2	176.9	-66.6	167.3	0	0	0	110.9	M995 L1018 N1019 E1024 N1026	M995-I1022 HydrophobicContact SD-CD1 4.49Å; L1018-I1022 HydrophobicContact CD1-CD1 4.19Å; L1018-I1022 HydrophobicContact CD1-CG1 4.43Å; L1018-I1022 HydrophobicContact CG-CD1 3.96Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.27Å; L1018-I1022 PolarHBondContact O-N 3.26Å; N1019-I1022 PolarHBondContact O-N 2.99Å; I1022-E1024 VanDerWaalsContact C-N 3.34Å; I1022-N1026 PolarHBondContact O-N 3.24Å; I1022-N1026 PolarHBondContact O-ND2 2.77Å
1023	E	78.9	Confident	67.2	Low	127 Å²	127	88.2 Å²	88.2	59%	0.593	46%	0.459	S	S	*	.	H	α-helix	trans	-62.4	-39.9	174.5	-75.2	175.7	-176.6	0	0	112.1	N1019 Y1021 N1026 I1027	N1019-E1023 WeakPolarHBondContact O-CG 3.5Å; N1019-E1023 PolarHBondContact O-N 2.87Å; Y1021-E1023 VanDerWaalsContact C-N 3.29Å; Y1021-E1023 PolarHBondContact O-N 2.91Å; E1023-N1026 PolarHBondContact O-N 2.79Å; E1023-I1027 WeakPolarHBondContact O-CD1 3.34Å; E1023-I1027 VanDerWaalsContact O-CG1 3.32Å; E1023-I1027 WeakPolarHBondContact O-CG1 3.4Å; E1023-I1027 PolarHBondContact O-N 3.08Å
1024	E	74.1	Confident	64.5	Low	62 Å²	62	92.5 Å²	92.5	29%	0.29	49%	0.488	S	S	.	.	H	α-helix	trans	-67.3	-47	177.9	-74.9	175.5	165.9	0	0	112.4	K13 Y14 S1020 Y1021 I1022 N1026 I1027 D1028	K13-E1024 VanDerWaalsContact NZ-CD 3.31Å; K13-E1024 IonicContact NZ-OE1 3.98Å; K13-E1024 PolarHBondContact NZ-OE1 3Å; K13-E1024 IonicContact NZ-OE2 2.57Å; Y14-E1024 PolarHBondContact OH-OE2 3.32Å; S1020-E1024 WeakPolarHBondContact O-CG 3.39Å; S1020-E1024 PolarHBondContact O-N 2.92Å; Y1021-E1024 PolarHBondContact O-N 2.83Å; Y1021-E1024 VanDerWaalsContact O-N 3.15Å; I1022-E1024 VanDerWaalsContact C-N 3.34Å; E1024-N1026 PolarHBondContact O-N 3.13Å; E1024-I1027 PolarHBondContact O-N 3.26Å; E1024-D1028 PolarHBondContact O-N 3.24Å
1025	E	67.7	Low	61.7	Low	89 Å²	89	98.2 Å²	98.2	42%	0.416	51%	0.514	S	S	.	.	H	α-helix	trans	-60	-31.7	176.9	-83.3	-168.6	166.2	0	0	112.8	Y1021 N1029	Y1021-E1025 VanDerWaalsContact CE1-CD 3.4Å; Y1021-E1025 HydrophobicContact CE1-CG 3.9Å; Y1021-E1025 VanDerWaalsContact CE1-OE1 3.23Å; Y1021-E1025 WeakPolarHBondContact CE1-OE1 3.42Å; Y1021-E1025 PolarHBondContact O-N 2.93Å; Y1021-E1025 PolarHBondContact OH-OE1 3.29Å; E1025-N1029 PolarHBondContact O-ND2 3.24Å
1026	N	65.8	Low	59	Low	107 Å²	107	102.6 Å²	102.6	57%	0.572	54%	0.54	S	S	*	.	H	α-helix	trans	-74.2	-27.7	177.3	-75.6	-51.6	0	0	0	112.9	I1022 E1023 E1024	I1022-N1026 PolarHBondContact O-N 3.24Å; I1022-N1026 PolarHBondContact O-ND2 2.77Å; E1023-N1026 PolarHBondContact O-N 2.79Å; E1024-N1026 PolarHBondContact O-N 3.13Å
1027	I	57.5	Low	56	Low	102 Å²	102	109.5 Å²	109.5	52%	0.523	56%	0.562	S	S	.	*	H	α-helix	trans	-75.5	-44.2	178.4	-66.8	163.5	0	0	0	110.5	E1023 E1024 N1029 D1030	E1023-I1027 WeakPolarHBondContact O-CD1 3.34Å; E1023-I1027 VanDerWaalsContact O-CG1 3.32Å; E1023-I1027 WeakPolarHBondContact O-CG1 3.4Å; E1023-I1027 PolarHBondContact O-N 3.08Å; E1024-I1027 PolarHBondContact O-N 3.26Å; I1027-N1029 PolarHBondContact O-N 2.99Å; I1027-D1030 PolarHBondContact O-N 2.82Å
1028	D	48.6	Very low	53.3	Low	130 Å²	130	112.6 Å²	112.6	70%	0.695	58%	0.583	S	S	*	*	H	α-helix	trans	-66.2	-24.6	-178.2	-78.9	-22.4	0	0	0	113.2	E1024	E1024-D1028 PolarHBondContact O-N 3.24Å
1029	N	44.3	Very low	50.4	Low	137 Å²	137	122.3 Å²	122.3	73%	0.733	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-16.7	177.4	-78.4	-48.9	0	0	0	114.3	E1025 I1027	E1025-N1029 PolarHBondContact O-ND2 3.24Å; I1027-N1029 PolarHBondContact O-N 2.99Å
1030	D	43.2	Very low	47.5	Very low	118 Å²	118	125.3 Å²	125.3	63%	0.631	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-20.9	-178.6	-144.1	16.3	0	0	0	113.1	I1027 G1032	I1027-D1030 PolarHBondContact O-N 2.82Å; D1030-G1032 PolarHBondContact O-N 3.49Å
1031	D	36.1	Very low	44.6	Very low	129 Å²	129	132.8 Å²	132.8	69%	0.69	67%	0.673	S	S	*	*	S	Bend	trans	-89.5	10.7	-174	-83.2	-19.8	0	0	0	115.5	K1033	D1031-K1033 PolarHBondContact O-N 2.88Å
1032	G	33.7	Very low	42	Very low	69 Å²	69	132.5 Å²	132.5	71%	0.711	69%	0.688	S	S	*	*			trans	-83.3	8.1	-174	0	0	0	0	0	118.3	D1030 T1034	D1030-G1032 PolarHBondContact O-N 3.49Å; G1032-T1034 PolarHBondContact O-N 3.05Å
1033	K	30.9	Very low	39.4	Very low	187 Å²	187	136.6 Å²	136.6	81%	0.813	71%	0.711	S	S	*	*	S	Bend	trans	-95.8	37.5	-178.4	-87.8	-170.5	-175.1	172.3	0	115.4	D1031	D1031-K1033 PolarHBondContact O-N 2.88Å
1034	T	28.5	Very low	36.8	Very low	114 Å²	114	137 Å²	137	70%	0.699	72%	0.722	S	S	*	*	S	Bend	trans	-156.7	103.5	163.8	36.3	0	0	0	0	110.9	G1032	G1032-T1034 PolarHBondContact O-N 3.05Å
1035	N	26.7	Very low	34.4	Very low	154 Å²	154	137.6 Å²	137.6	82%	0.824	75%	0.745	S	S	*	*			trans	156.7	71.2	141.1	-79.4	-29.5	0	0	0	111.6	R1037	N1035-R1037 PolarHBondContact O-N 3.26Å
1036	N	28.7	Very low	32.3	Very low	165 Å²	165	141.4 Å²	141.4	88%	0.882	77%	0.768	S	S	*	*			trans	-70.3	96.9	161.5	-83	-13	0	0	0	109.4
1037	R	23	Very low	30.2	Very low	239 Å²	239	142 Å²	142	90%	0.902	78%	0.78	S	S	*	*			trans	-109.2	75.5	159.5	-83.1	-174.4	174.1	177.7	-0.4	109.1	N1035	N1035-R1037 PolarHBondContact O-N 3.26Å
1038	T	25.9	Very low	28.7	Very low	119 Å²	119	146.6 Å²	146.6	73%	0.73	80%	0.797	S	S	*	*			trans	-116.2	108.2	164.4	28.8	0	0	0	0	109.2	T1040	T1038-T1040 PolarHBondContact O-N 2.78Å
1039	R	22.2	Very low	27.5	Very low	246 Å²	246	149.4 Å²	149.4	93%	0.928	81%	0.806	S	S	*	*			trans	-40.2	117	162	-84.4	168.5	152	170.5	-7	110.4
1040	T	23.4	Very low	26.5	Very low	140 Å²	140	147.9 Å²	147.9	86%	0.859	81%	0.806	S	S	*	*			trans	-151.4	143.2	147.1	40.4	0	0	0	0	110	T1038	T1038-T1040 PolarHBondContact O-N 2.78Å
1041	M	20.4	Very low	25.6	Very low	175 Å²	175	150.2 Å²	150.2	86%	0.862	82%	0.818	S	S	*	*			trans	-70.2	165.8	-179.7	-70.4	-114.7	74.6	0	0	112.4
1042	S	25	Very low	25.1	Very low	112 Å²	112	153.1 Å²	153.1	78%	0.783	83%	0.825	S	S	*	*			trans	76.1	91.3	166.5	59.7	0	0	0	0	118.4
1043	D	23.8	Very low	24.7	Very low	147 Å²	147	157.7 Å²	157.7	79%	0.786	83%	0.833	S	S	*	*				31.8	110.3	128.6	-77.2	-25.1	0	0	0	121.1
1044	T	23.7	Very low	24.5	Very low	135 Å²	135	157 Å²	157	83%	0.828	84%	0.836	S	S	*	*				63.8	114.7	129.3	62	0	0	0	0	120.3
1045	G	23.8	Very low	24.4	Very low	75 Å²	75	155.9 Å²	155.9	77%	0.773	83%	0.833	S	S	*	*			trans	159.1	71.5	151.7	0	0	0	0	0	118.5
1046	N	23.6	Very low	24.4	Very low	169 Å²	169	157.7 Å²	157.7	90%	0.904	83%	0.834	S	S	*	*			trans	57.4	94.5	150.6	-69.9	-17.4	0	0	0	121.2
1047	S	22	Very low	24.5	Very low	119 Å²	119	155.7 Å²	155.7	83%	0.832	82%	0.824	S	S	*	*			trans	-80.3	134.1	153.4	56.3	0	0	0	0	112.6
1048	K	25.6	Very low	24.8	Very low	200 Å²	200	152.9 Å²	152.9	87%	0.87	82%	0.818	S	S	*	*			trans	-127.6	108.8	157.8	-83	-172.2	177.9	-179.7	0	110.6
1049	Q	22.6	Very low	25	Very low	188 Å²	188	154.4 Å²	154.4	88%	0.879	82%	0.817	S	S	*	*			trans	30.9	112	141.4	-78.1	162.5	-32	0	0	120.1
1050	S	23.4	Very low	25.5	Very low	105 Å²	105	146.7 Å²	146.7	73%	0.734	79%	0.794	S	S	*	*				-175.2	113.2	117	57.1	0	0	0	0	108.5
1051	D	24.7	Very low	25.8	Very low	167 Å²	167	145 Å²	145	89%	0.893	78%	0.779	S	S	*	*			trans	-171.9	84.4	155.4	-89.1	-24.7	0	0	0	110.1
1052	K	25.1	Very low	26.1	Very low	191 Å²	191	143.7 Å²	143.7	83%	0.83	77%	0.771	S	S	*	*			trans	-121.3	115.8	157.4	-77	-176.1	175.7	-176.9	0	105.3
1053	N	26.2	Very low	26.5	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	76%	0.764	S	S	*	*			trans	158.8	66.9	148.8	-79.2	-12	0	0	0	113
1054	I	27.5	Very low	26.8	Very low	172 Å²	172	145.4 Å²	145.4	88%	0.882	76%	0.755	S	S	*	*			trans	-142.6	92.6	160.5	-51.7	176.6	0	0	0	107.3
1055	S	25.4	Very low	27.2	Very low	91 Å²	91	143.9 Å²	143.9	64%	0.636	75%	0.745	S	S	*	*	S	Bend	trans	-163.6	-18.4	157.5	-160.9	0	0	0	0	113.6	N1057	S1055-N1057 PolarHBondContact O-N 2.77Å
1056	F	26.8	Very low	27.5	Very low	192 Å²	192	147 Å²	147	84%	0.842	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	21.5	-172.6	-100.6	-76.9	0	0	0	118.2
1057	N	30.7	Very low	27.9	Very low	124 Å²	124	146.8 Å²	146.8	66%	0.663	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	-6.1	-171.3	-106.6	-9.3	0	0	0	117.8	S1055	S1055-N1057 PolarHBondContact O-N 2.77Å
1058	F	28.3	Very low	28.2	Very low	180 Å²	180	146.3 Å²	146.3	79%	0.789	73%	0.727	S	S	*	*	H	α-helix	trans	-82.5	-45.7	-172.1	-158.1	-105.7	0	0	0	114.3	N1060 L1061	F1058-N1060 VanDerWaalsContact C-N 3.31Å; F1058-N1060 PolarHBondContact O-N 2.66Å; F1058-L1061 PolarHBondContact O-N 2.8Å
1059	Q	30.9	Very low	28.4	Very low	150 Å²	150	144.5 Å²	144.5	70%	0.701	72%	0.721	S	S	*	*	H	α-helix	trans	-70.5	-24.2	179.3	-77.1	-176.4	-12.7	0	0	113.9
1060	N	33.5	Very low	28.6	Very low	85 Å²	85	142.4 Å²	142.4	46%	0.455	72%	0.716	S	S	.	*	H	α-helix	trans	-75	-30.1	178.4	-80	-28.7	0	0	0	112.6	F1058 R1063 Q1064	F1058-N1060 VanDerWaalsContact C-N 3.31Å; F1058-N1060 PolarHBondContact O-N 2.66Å; N1060-R1063 PolarHBondContact O-N 3.23Å; N1060-Q1064 WeakPolarHBondContact O-CB 3.43Å; N1060-Q1064 WeakPolarHBondContact O-CG 3.2Å; N1060-Q1064 PolarHBondContact O-N 3.13Å
1061	L	29	Very low	28.7	Very low	104 Å²	104	144.1 Å²	144.1	55%	0.545	72%	0.717	S	S	.	*	H	α-helix	trans	-65.9	-41.8	176.9	-111.3	85.9	0	0	0	111.8	F1058 R1063 Q1064 V1065	F1058-L1061 PolarHBondContact O-N 2.8Å; L1061-R1063 VanDerWaalsContact C-N 3.3Å; L1061-R1063 PolarHBondContact O-N 2.99Å; L1061-Q1064 PolarHBondContact O-N 3.25Å; L1061-V1065 WeakPolarHBondContact O-CG2 3.47Å; L1061-V1065 PolarHBondContact O-N 3.01Å; L1061-V1065 VanDerWaalsContact O-N 3.15Å
1062	Q	27.1	Very low	28.7	Very low	147 Å²	147	145 Å²	145	69%	0.687	72%	0.715	S	S	*	*	H	α-helix	trans	-64.7	-35.3	-179.6	-149	177.2	9.5	0	0	112
1063	R	32	Very low	28.7	Very low	170 Å²	170	141.6 Å²	141.6	64%	0.642	71%	0.711	S	S	*	*	H	α-helix	trans	-78.3	-28.4	174	-73.5	-176.9	-179.7	161.1	1.4	113.7	N1060 L1061 L1066 K1067	N1060-R1063 PolarHBondContact O-N 3.23Å; L1061-R1063 VanDerWaalsContact C-N 3.3Å; L1061-R1063 PolarHBondContact O-N 2.99Å; R1063-L1066 PolarHBondContact O-N 3.37Å; R1063-K1067 PolarHBondContact O-N 3.01Å; R1063-K1067 VanDerWaalsContact O-N 3.13Å
1064	Q	31.7	Very low	28.6	Very low	125 Å²	125	141.2 Å²	141.2	58%	0.584	71%	0.709	S	S	*	*	H	α-helix	trans	-71.8	-33.9	178	-84.9	-175.7	-17	0	0	112.5	N1060 L1061 L1066 K1067 T1068	N1060-Q1064 WeakPolarHBondContact O-CB 3.43Å; N1060-Q1064 WeakPolarHBondContact O-CG 3.2Å; N1060-Q1064 PolarHBondContact O-N 3.13Å; L1061-Q1064 PolarHBondContact O-N 3.25Å; Q1064-L1066 VanDerWaalsContact C-N 3.32Å; Q1064-K1067 PolarHBondContact O-N 3.08Å; Q1064-T1068 PolarHBondContact O-N 2.94Å; Q1064-T1068 VanDerWaalsContact O-N 3.16Å; Q1064-T1068 PolarHBondContact O-OG1 2.97Å
1065	V	31.9	Very low	28.5	Very low	104 Å²	104	141.4 Å²	141.4	63%	0.63	71%	0.711	S	S	*	*	H	α-helix	trans	-66.3	-36.3	174.4	177.8	0	0	0	0	111.2	L1061 T1068	L1061-V1065 WeakPolarHBondContact O-CG2 3.47Å; L1061-V1065 PolarHBondContact O-N 3.01Å; L1061-V1065 VanDerWaalsContact O-N 3.15Å; V1065-T1068 PolarHBondContact O-OG1 3.43Å
1066	L	29.6	Very low	28.4	Very low	140 Å²	140	144.2 Å²	144.2	73%	0.733	72%	0.719	S	S	*	*	H	α-helix	trans	-74.8	-23.6	175.5	-85.7	152.2	0	0	0	114.2	R1063 Q1064	R1063-L1066 PolarHBondContact O-N 3.37Å; Q1064-L1066 VanDerWaalsContact C-N 3.32Å
1067	K	31.1	Very low	28.2	Very low	164 Å²	164	140.8 Å²	140.8	71%	0.713	71%	0.713	S	S	*	*	H	α-helix	trans	-89.5	-18.2	178.6	-76.8	-173.6	177.2	-174.2	0	114.4	R1063 Q1064 Q1069	R1063-K1067 PolarHBondContact O-N 3.01Å; R1063-K1067 VanDerWaalsContact O-N 3.13Å; Q1064-K1067 PolarHBondContact O-N 3.08Å; K1067-Q1069 VanDerWaalsContact C-N 3.31Å; K1067-Q1069 PolarHBondContact O-N 3.34Å
1068	T	29.5	Very low	27.9	Very low	110 Å²	110	140.2 Å²	140.2	68%	0.675	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-81.1	-6.4	-175.8	30.5	0	0	0	0	114.3	Q1064 V1065	Q1064-T1068 PolarHBondContact O-N 2.94Å; Q1064-T1068 VanDerWaalsContact O-N 3.16Å; Q1064-T1068 PolarHBondContact O-OG1 2.97Å; V1065-T1068 PolarHBondContact O-OG1 3.43Å
1069	Q	29.1	Very low	27.5	Very low	161 Å²	161	138.8 Å²	138.8	75%	0.752	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-84.2	-3.2	175.6	-73	-168.7	-17.2	0	0	115.4	K1067	K1067-Q1069 VanDerWaalsContact C-N 3.31Å; K1067-Q1069 PolarHBondContact O-N 3.34Å
1070	N	26.3	Very low	27.1	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-112.7	13.1	-174.3	-89.1	-5.7	0	0	0	117.1
1071	N	25.8	Very low	26.5	Very low	142 Å²	142	138.9 Å²	138.9	76%	0.759	73%	0.734	S	S	*	*			trans	-121.6	78.2	175.6	-75.3	-8.7	0	0	0	111.4
1072	H	24.9	Very low	26.1	Very low	184 Å²	184	142.9 Å²	142.9	85%	0.852	75%	0.75	S	S	*	*			trans	-93.1	98.7	161.3	-84.4	-75.7	0	0	0	108.2
1073	T	25.7	Very low	26	Very low	121 Å²	121	141.2 Å²	141.2	74%	0.742	75%	0.754	S	S	*	*			trans	-114.6	110.6	169.6	47.1	0	0	0	0	109.7
1074	D	24.5	Very low	25.5	Very low	155 Å²	155	138.1 Å²	138.1	83%	0.829	76%	0.759	S	S	*	*			trans	4.4	121.6	146.6	-55	-28.7	0	0	0	117.1
1075	L	25.7	Very low	25.1	Very low	177 Å²	177	140.6 Å²	140.6	93%	0.927	77%	0.77	S	S	*	*			trans	-148.8	96.1	152.7	-94.7	166.1	0	0	0	108.8
1076	D	22.5	Very low	24.6	Very low	150 Å²	150	142 Å²	142	80%	0.802	78%	0.783	S	S	*	*			trans	-66.3	133	169.3	-89.3	-37.1	0	0	0	112
1077	V	23.5	Very low	24.4	Very low	119 Å²	119	140.9 Å²	140.9	72%	0.721	78%	0.782	S	S	*	*				40.8	112.4	129.7	-169.8	0	0	0	0	118.3
1078	S	23.2	Very low	24.2	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	78%	0.78	S	S	*	*				-164.2	114	124.4	26.8	0	0	0	0	110.3	P1080	S1078-P1080 WeakPolarHBondContact O-CD 3.5Å
1079	I	20.2	Very low	24.1	Very low	151 Å²	151	140.7 Å²	140.7	77%	0.774	79%	0.786	S	S	*	*			trans	-78.8	120.6	174.7	-63	161.5	0	0	0	107.6
1080	P	21.7	Very low	24.2	Very low	122 Å²	122	138.4 Å²	138.4	79%	0.792	78%	0.783	S	S	*	*			trans	-91.5	112.1	163.6	7.5	12.6	0	0	0	108.7	S1078	S1078-P1080 WeakPolarHBondContact O-CD 3.5Å
1081	T	21.3	Very low	24.4	Very low	115 Å²	115	137.4 Å²	137.4	71%	0.706	78%	0.778	S	S	*	*			trans	-61.3	136.1	168.8	43.8	0	0	0	0	112.2
1082	E	21.8	Very low	24.7	Very low	187 Å²	187	135.9 Å²	135.9	87%	0.874	77%	0.769	S	S	*	*			trans	43.1	113.4	141	-61.7	-179.7	169	0	0	118.8
1083	S	23.5	Very low	25.1	Very low	112 Å²	112	136 Å²	136	78%	0.783	77%	0.767	S	S	*	*				-160.8	126.9	125.7	46.6	0	0	0	0	111.9
1084	S	22	Very low	25.4	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	76%	0.764	S	S	*	*			trans	-56	125.1	170.6	51	0	0	0	0	113.1
1085	H	24.3	Very low	25.9	Very low	176 Å²	176	135 Å²	135	82%	0.815	75%	0.752	S	S	*	*			trans	-143.3	98.1	148.8	-84.6	-60.5	0	0	0	110.4	T1087	H1085-T1087 PolarHBondContact O-N 3.29Å
1086	C	20.2	Very low	26.2	Very low	134 Å²	134	132 Å²	132	91%	0.905	74%	0.736	S	S	*	*			trans	-72.9	109.9	167.1	-168.1	0	0	0	0	107.8
1087	T	26.2	Very low	26.7	Very low	116 Å²	116	128.3 Å²	128.3	71%	0.712	72%	0.722	S	S	*	*			trans	-124.2	110.7	173.2	-34.3	0	0	0	0	110.1	H1085	H1085-T1087 PolarHBondContact O-N 3.29Å
1088	T	25.6	Very low	27.2	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.663	72%	0.72	S	S	*	*			trans	-22.9	137.5	174.3	47.1	0	0	0	0	119.7	T1090	T1088-T1090 VanDerWaalsContact C-N 3.25Å; T1088-T1090 PolarHBondContact O-N 2.66Å
1089	M	28	Very low	27.4	Very low	163 Å²	163	130.3 Å²	130.3	80%	0.803	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	11.9	-174.9	-104.8	-134.6	78.2	0	0	120.4
1090	T	30.4	Very low	27.8	Very low	113 Å²	113	131.8 Å²	131.8	69%	0.693	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-17.8	-175.5	44.7	0	0	0	0	115.4	T1088	T1088-T1090 VanDerWaalsContact C-N 3.25Å; T1088-T1090 PolarHBondContact O-N 2.66Å
1091	D	31.8	Very low	28	Very low	122 Å²	122	136.6 Å²	136.6	65%	0.652	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-12.4	-179	-67.7	-20.7	0	0	0	113.8	K1093 H1094	D1091-K1093 VanDerWaalsContact C-N 3.25Å; D1091-K1093 PolarHBondContact O-N 2.98Å; D1091-H1094 PolarHBondContact O-N 3.16Å
1092	L	32	Very low	28.4	Very low	111 Å²	111	139.8 Å²	139.8	58%	0.581	73%	0.726	S	S	*	*	H	α-helix	trans	-68.6	-18	-177.7	-132.7	91.3	0	0	0	114.4	I1096	L1092-I1096 WeakPolarHBondContact O-CG1 3.5Å
1093	K	32.4	Very low	28.8	Very low	185 Å²	185	137.8 Å²	137.8	80%	0.804	72%	0.721	S	S	*	*	H	α-helix	trans	-77.4	-25.1	178.5	-87.7	-175.2	177	177.5	0	113.1	D1091	D1091-K1093 VanDerWaalsContact C-N 3.25Å; D1091-K1093 PolarHBondContact O-N 2.98Å
1094	H	32.3	Very low	29.1	Very low	149 Å²	149	137.8 Å²	137.8	69%	0.69	72%	0.717	S	S	*	*	H	α-helix	trans	-80.7	-32.8	-179.5	-120.8	-44.4	0	0	0	112.3	D1091 S1097	D1091-H1094 PolarHBondContact O-N 3.16Å; H1094-S1097 PolarHBondContact O-N 3.42Å; H1094-S1097 PolarHBondContact O-OG 2.81Å
1095	D	34.4	Very low	29.7	Very low	107 Å²	107	141.1 Å²	141.1	57%	0.572	72%	0.718	S	S	*	*	H	α-helix	trans	-75.4	-29.4	-178.3	-73.3	-22.3	0	0	0	114	S1097 N1098	D1095-S1097 PolarHBondContact O-N 3.19Å; D1095-N1098 PolarHBondContact O-N 2.8Å
1096	I	33.1	Very low	30.3	Very low	115 Å²	115	142.6 Å²	142.6	59%	0.59	72%	0.722	S	S	*	*	H	α-helix	trans	-65	-28.9	177.1	-64.8	171	0	0	0	111.5	L1092 N1098	L1092-I1096 WeakPolarHBondContact O-CG1 3.5Å; I1096-N1098 VanDerWaalsContact C-N 3.34Å; I1096-N1098 PolarHBondContact O-N 3.46Å
1097	S	33	Very low	31.3	Very low	71 Å²	71	142.7 Å²	142.7	50%	0.497	71%	0.714	S	S	.	*	H	α-helix	trans	-75.2	-20.9	178.9	72.2	0	0	0	0	114.1	H1094 D1095	H1094-S1097 PolarHBondContact O-N 3.42Å; H1094-S1097 PolarHBondContact O-OG 2.81Å; D1095-S1097 PolarHBondContact O-N 3.19Å
1098	N	33.1	Very low	32.2	Very low	129 Å²	129	141.2 Å²	141.2	69%	0.69	72%	0.721	S	S	*	*	H	α-helix	trans	-95.6	-0.9	-179.9	-81.1	-22.6	0	0	0	114.1	D1095 I1096 K1100	D1095-N1098 PolarHBondContact O-N 2.8Å; I1096-N1098 VanDerWaalsContact C-N 3.34Å; I1096-N1098 PolarHBondContact O-N 3.46Å; N1098-K1100 PolarHBondContact O-N 2.82Å
1099	L	27.3	Very low	32.9	Very low	144 Å²	144	145.6 Å²	145.6	75%	0.754	73%	0.727	S	S	*	*			trans	-75	47.1	165.8	-83.4	143.8	0	0	0	111.7	W1101	L1099-W1101 PolarHBondContact O-N 2.95Å; L1099-W1101 VanDerWaalsContact O-N 3.14Å
1100	K	28.5	Very low	33.7	Very low	182 Å²	182	143.2 Å²	143.2	79%	0.791	72%	0.717	S	S	*	*			trans	-73.7	99.2	157.2	-87.9	-176.8	176.6	175.9	0	107	N1098 K1102	N1098-K1100 PolarHBondContact O-N 2.82Å; K1100-K1102 PolarHBondContact O-N 3.04Å
1101	W	26.7	Very low	35.5	Very low	223 Å²	223	141.1 Å²	141.1	85%	0.845	70%	0.704	S	S	*	*			trans	-33.3	96.6	173.1	-153.5	-66.6	0	0	0	111.4	L1099 N1103	L1099-W1101 PolarHBondContact O-N 2.95Å; L1099-W1101 VanDerWaalsContact O-N 3.14Å; W1101-N1103 VanDerWaalsContact C-N 3.32Å; W1101-N1103 VanDerWaalsContact CD1-OD1 3.26Å; W1101-N1103 PolarHBondContact O-N 3.37Å
1102	K	29.8	Very low	37.3	Very low	183 Å²	183	140.3 Å²	140.3	80%	0.796	70%	0.703	S	S	*	*			trans	-68.9	96.4	171.5	-83.1	-177.1	177.4	175.2	0	106.8	K1100 T1104	K1100-K1102 PolarHBondContact O-N 3.04Å; K1102-T1104 PolarHBondContact O-N 3.05Å
1103	N	29.6	Very low	39.3	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	70%	0.701	S	S	*	*			trans	-66.4	63.6	172.5	-93.7	-15.5	0	0	0	111.3	W1101	W1101-N1103 VanDerWaalsContact C-N 3.32Å; W1101-N1103 VanDerWaalsContact CD1-OD1 3.26Å; W1101-N1103 PolarHBondContact O-N 3.37Å
1104	T	30.5	Very low	41.2	Very low	112 Å²	112	133.1 Å²	133.1	69%	0.687	68%	0.675	S	S	*	*			trans	-123.1	62.7	177.8	52.3	0	0	0	0	110.6	K1102	K1102-T1104 PolarHBondContact O-N 3.05Å
1105	K	34.3	Very low	42.9	Very low	176 Å²	176	133.9 Å²	133.9	77%	0.765	67%	0.671	S	S	*	*			trans	-142.7	92.3	155.1	-71.5	-167.5	-178	171.3	0	109.3	N1107	K1105-N1107 PolarHBondContact O-N 2.61Å
1106	K	37.4	Very low	44.9	Very low	208 Å²	208	132.1 Å²	132.1	90%	0.904	66%	0.661	S	S	*	*			trans	-66.1	97.4	164	-85.5	-177.5	172.8	-178.1	0	107.4
1107	N	40.1	Very low	47	Very low	136 Å²	136	132.4 Å²	132.4	73%	0.727	66%	0.66	S	S	*	*	S	Bend	trans	148.7	101.7	158.6	-76.8	-9.4	0	0	0	106.2	K1105 Y1109	K1105-N1107 PolarHBondContact O-N 2.61Å; N1107-Y1109 PolarHBondContact O-N 2.97Å
1108	G	45.2	Very low	48.9	Very low	85 Å²	85	135.2 Å²	135.2	88%	0.876	67%	0.665	S	S	*	*			trans	-70.4	40.4	-169.5	0	0	0	0	0	115.9
1109	Y	40.1	Very low	51	Low	200 Å²	200	132.2 Å²	132.2	78%	0.784	65%	0.647	S	S	*	*			trans	-103.5	111.2	171.7	-65.1	-75.3	0	0	0	109.1	N1107 T1111	N1107-Y1109 PolarHBondContact O-N 2.97Å; Y1109-T1111 PolarHBondContact O-N 3.37Å
1110	L	46	Very low	53.7	Low	112 Å²	112	126.2 Å²	126.2	59%	0.586	62%	0.616	S	S	*	*			trans	-57.4	120.3	167.6	-73.5	155.6	0	0	0	108.6	D1114 R1115	L1110-D1114 HydrophobicContact CB-CB 4.28Å; L1110-D1114 HydrophobicContact CD2-CB 3.68Å; L1110-R1115 HydrophobicContact CB-CG 4.09Å
1111	T	68.2	Low	56.3	Low	69 Å²	69	123.2 Å²	123.2	42%	0.423	60%	0.603	S	S	.	*			trans	-65.3	161	172.7	65.6	0	0	0	0	110	Y1109 N1113 D1114 R1115	Y1109-T1111 PolarHBondContact O-N 3.37Å; T1111-N1113 PolarHBondContact O-N 2.85Å; T1111-D1114 WeakPolarHBondContact CB-OD2 3.45Å; T1111-D1114 PolarHBondContact N-OD2 2.99Å; T1111-D1114 PolarHBondContact O-N 3.45Å; T1111-D1114 VanDerWaalsContact O-N 3.08Å; T1111-D1114 PolarHBondContact OG1-N 3.19Å; T1111-D1114 PolarHBondContact OG1-OD1 2.95Å; T1111-D1114 PolarHBondContact OG1-OD2 3.14Å; T1111-R1115 PolarHBondContact O-N 3.39Å; T1111-R1115 VanDerWaalsContact O-N 3.1Å
1112	V	70.1	Confident	58.8	Low	105 Å²	105	116.9 Å²	116.9	64%	0.636	58%	0.579	S	S	*	*	H	α-helix	trans	-55.9	-37.1	177.6	177	0	0	0	0	110.9	R1115 L1116	V1112-R1115 PolarHBondContact O-N 2.93Å; V1112-L1116 HydrophobicContact CG1-CD1 4.07Å; V1112-L1116 HydrophobicContact CG1-CG 4.47Å; V1112-L1116 WeakPolarHBondContact O-CG 3.31Å; V1112-L1116 PolarHBondContact O-N 2.92Å
1113	N	73.4	Confident	61.4	Low	99 Å²	99	109.1 Å²	109.1	53%	0.529	55%	0.546	S	S	.	.	H	α-helix	trans	-66.3	-43.4	176.5	-68	-1.8	0	0	0	111.7	T1111 R1115 L1116 E1117 L1166	T1111-N1113 PolarHBondContact O-N 2.85Å; N1113-R1115 PolarHBondContact O-N 3.44Å; N1113-L1116 PolarHBondContact O-N 3.34Å; N1113-E1117 WeakPolarHBondContact O-CB 3.38Å; N1113-E1117 PolarHBondContact O-N 3.49Å; N1113-L1166 HydrophobicContact CB-CD1 4.1Å
1114	D	71.8	Confident	64.1	Low	47 Å²	47	105.9 Å²	105.9	25%	0.251	53%	0.528	S	S	.	.	H	α-helix	trans	-59.7	-36.1	176.5	-55.9	-44.7	0	0	0	111.4	L1110 T1111 H1118	L1110-D1114 HydrophobicContact CB-CB 4.28Å; L1110-D1114 HydrophobicContact CD2-CB 3.68Å; T1111-D1114 WeakPolarHBondContact CB-OD2 3.45Å; T1111-D1114 PolarHBondContact N-OD2 2.99Å; T1111-D1114 PolarHBondContact O-N 3.45Å; T1111-D1114 VanDerWaalsContact O-N 3.08Å; T1111-D1114 PolarHBondContact OG1-N 3.19Å; T1111-D1114 PolarHBondContact OG1-OD1 2.95Å; T1111-D1114 PolarHBondContact OG1-OD2 3.14Å; D1114-H1118 WeakPolarHBondContact O-CB 3.48Å; D1114-H1118 PolarHBondContact O-N 3.36Å
1115	R	68.8	Low	66.6	Low	165 Å²	165	105.7 Å²	105.7	62%	0.623	52%	0.519	S	S	*	.	H	α-helix	trans	-70.6	-43.4	176.5	-64.1	-178.7	-172.6	-160.7	-0.9	112.2	L1110 T1111 V1112 N1113 E1117 H1118 E1119	L1110-R1115 HydrophobicContact CB-CG 4.09Å; T1111-R1115 PolarHBondContact O-N 3.39Å; T1111-R1115 VanDerWaalsContact O-N 3.1Å; V1112-R1115 PolarHBondContact O-N 2.93Å; N1113-R1115 PolarHBondContact O-N 3.44Å; R1115-E1117 VanDerWaalsContact C-N 3.33Å; R1115-H1118 PolarHBondContact O-N 3.01Å; R1115-E1119 WeakPolarHBondContact O-CB 3.38Å; R1115-E1119 PolarHBondContact O-N 3Å
1116	L	75.5	Confident	68.6	Low	69 Å²	69	101.9 Å²	101.9	36%	0.361	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-38.8	177.5	-73.6	171.3	0	0	0	111.3	V1112 N1113 E1119 L1120 Y1163 L1166	V1112-L1116 HydrophobicContact CG1-CD1 4.07Å; V1112-L1116 HydrophobicContact CG1-CG 4.47Å; V1112-L1116 WeakPolarHBondContact O-CG 3.31Å; V1112-L1116 PolarHBondContact O-N 2.92Å; N1113-L1116 PolarHBondContact O-N 3.34Å; L1116-E1119 PolarHBondContact O-N 3.15Å; L1116-L1120 WeakPolarHBondContact O-CB 3.41Å; L1116-L1120 PolarHBondContact O-N 3.36Å; L1116-Y1163 HydrophobicContact CB-CE1 4.41Å; L1116-Y1163 HydrophobicContact CD2-CE1 4.04Å; L1116-L1166 HydrophobicContact CB-CD1 4.06Å; L1116-L1166 HydrophobicContact CB-CD2 4.06Å
1117	E	77.5	Confident	70.9	Confident	122 Å²	122	92.8 Å²	92.8	57%	0.57	47%	0.467	S	S	*	.	H	α-helix	trans	-63.9	-45	174.7	-168.7	-179.4	177.8	0	0	111.1	N1113 R1115 E1119 L1120 F1121 L1166	N1113-E1117 WeakPolarHBondContact O-CB 3.38Å; N1113-E1117 PolarHBondContact O-N 3.49Å; R1115-E1117 VanDerWaalsContact C-N 3.33Å; E1117-E1119 VanDerWaalsContact C-N 3.33Å; E1117-E1119 PolarHBondContact O-N 2.87Å; E1117-L1120 PolarHBondContact O-N 2.97Å; E1117-F1121 VanDerWaalsContact O-CB 3.32Å; E1117-F1121 WeakPolarHBondContact O-CB 3.48Å; E1117-F1121 PolarHBondContact O-N 3.35Å; E1117-L1166 HydrophobicContact CB-CD2 4.22Å
1118	H	72.7	Confident	72.8	Confident	129 Å²	129	89.3 Å²	89.3	60%	0.597	45%	0.454	S	S	*	.	H	α-helix	trans	-62.9	-39.5	175.8	-163.7	75.4	0	0	0	112.5	D1114 R1115 F1121 R1122	D1114-H1118 WeakPolarHBondContact O-CB 3.48Å; D1114-H1118 PolarHBondContact O-N 3.36Å; R1115-H1118 PolarHBondContact O-N 3.01Å; H1118-F1121 PolarHBondContact O-N 3.38Å; H1118-R1122 WeakPolarHBondContact O-CB 3.2Å; H1118-R1122 PolarHBondContact O-N 3.15Å
1119	E	76.6	Confident	74.3	Confident	66 Å²	66	92.3 Å²	92.3	31%	0.308	44%	0.443	S	S	.	.	H	α-helix	trans	-69	-43.7	177.9	-171.6	60.4	-152.3	0	0	111.8	R1115 L1116 E1117 F1121 R1122 Q1123 Y1163	R1115-E1119 WeakPolarHBondContact O-CB 3.38Å; R1115-E1119 PolarHBondContact O-N 3Å; L1116-E1119 PolarHBondContact O-N 3.15Å; E1117-E1119 VanDerWaalsContact C-N 3.33Å; E1117-E1119 PolarHBondContact O-N 2.87Å; E1119-F1121 VanDerWaalsContact C-N 3.33Å; E1119-F1121 PolarHBondContact O-N 3.19Å; E1119-R1122 PolarHBondContact O-N 2.99Å; E1119-Q1123 WeakPolarHBondContact O-CG 3.49Å; E1119-Q1123 PolarHBondContact O-N 3.32Å; E1119-Q1123 PolarHBondContact OE1-NE2 3.41Å; E1119-Y1163 WeakPolarHBondContact CG-OH 3.41Å
1120	L	85.7	Confident	76.1	Confident	19 Å²	19	84.8 Å²	84.8	10%	0.099	42%	0.422	C	S	.	.	H	α-helix	trans	-59	-46.1	173.6	176.1	61.2	0	0	0	110.6	L1116 E1117 R1122 Q1123 L1124 L1159 Y1163 L1166 L1167	L1116-L1120 WeakPolarHBondContact O-CB 3.41Å; L1116-L1120 PolarHBondContact O-N 3.36Å; E1117-L1120 PolarHBondContact O-N 2.97Å; L1120-R1122 VanDerWaalsContact C-N 3.35Å; L1120-R1122 PolarHBondContact O-N 2.73Å; L1120-Q1123 PolarHBondContact O-N 3.47Å; L1120-L1124 HydrophobicContact CD1-CD1 4.21Å; L1120-L1124 HydrophobicContact CD1-CG 4.29Å; L1120-L1124 HydrophobicContact CG-CD1 4.12Å; L1120-L1124 WeakPolarHBondContact O-CG 3.35Å; L1120-L1124 PolarHBondContact O-N 3.44Å; L1120-L1159 HydrophobicContact CD1-CB 4.35Å; L1120-L1159 HydrophobicContact CD1-CD1 4.43Å; L1120-Y1163 HydrophobicContact CB-CD1 4.04Å; L1120-Y1163 HydrophobicContact CB-CD2 4.46Å; L1120-Y1163 HydrophobicContact CB-CE1 4.04Å; L1120-Y1163 HydrophobicContact CB-CE2 4.48Å; L1120-Y1163 HydrophobicContact CB-CG 4.25Å; L1120-Y1163 HydrophobicContact CD1-CD2 3.67Å; L1120-Y1163 HydrophobicContact CD1-CE2 4.08Å; L1120-Y1163 HydrophobicContact CD1-CG 3.95Å; L1120-Y1163 HydrophobicContact CD2-CG 4.26Å; L1120-Y1163 HydrophobicContact CG-CG 4.38Å; L1120-L1166 HydrophobicContact CD2-CD2 4.22Å; L1120-L1167 HydrophobicContact CD2-CD2 4.13Å
1121	F	83.4	Confident	77.7	Confident	118 Å²	118	84.7 Å²	84.7	52%	0.518	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-42.8	177.9	-171.2	-103.8	0	0	0	112	E1117 H1118 E1119 Q1123 L1124 Q1125	E1117-F1121 VanDerWaalsContact O-CB 3.32Å; E1117-F1121 WeakPolarHBondContact O-CB 3.48Å; E1117-F1121 PolarHBondContact O-N 3.35Å; H1118-F1121 PolarHBondContact O-N 3.38Å; E1119-F1121 VanDerWaalsContact C-N 3.33Å; E1119-F1121 PolarHBondContact O-N 3.19Å; F1121-Q1123 PolarHBondContact O-N 3.32Å; F1121-L1124 PolarHBondContact O-N 3.32Å; F1121-Q1125 HydrophobicContact CD1-CG 4.34Å; F1121-Q1125 HydrophobicContact CE1-CG 4.13Å; F1121-Q1125 HydrophobicContact CZ-CG 4.49Å; F1121-Q1125 WeakPolarHBondContact O-CG 3.43Å; F1121-Q1125 PolarHBondContact O-N 3.36Å
1122	R	78.5	Confident	78.1	Confident	90 Å²	90	87 Å²	87	34%	0.34	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-42.1	176.2	-172.7	175.8	-177.9	-103.4	-0.6	111.9	H1118 E1119 L1120 Q1125 I1126	H1118-R1122 WeakPolarHBondContact O-CB 3.2Å; H1118-R1122 PolarHBondContact O-N 3.15Å; E1119-R1122 PolarHBondContact O-N 2.99Å; L1120-R1122 VanDerWaalsContact C-N 3.35Å; L1120-R1122 PolarHBondContact O-N 2.73Å; R1122-Q1125 PolarHBondContact O-N 3.37Å; R1122-I1126 WeakPolarHBondContact O-CG1 3.38Å; R1122-I1126 PolarHBondContact O-N 3.21Å; R1122-I1126 VanDerWaalsContact O-N 3.11Å
1123	Q	83.5	Confident	78.3	Confident	21 Å²	21	85.2 Å²	85.2	10%	0.098	41%	0.409	C	S	.	.	H	α-helix	trans	-67.4	-41.1	177.8	-70.2	176.1	15.7	0	0	111.6	E1119 L1120 F1121 Q1125 I1126 I1127 Y1155 L1159 Y1163	E1119-Q1123 WeakPolarHBondContact O-CG 3.49Å; E1119-Q1123 PolarHBondContact O-N 3.32Å; E1119-Q1123 PolarHBondContact OE1-NE2 3.41Å; L1120-Q1123 PolarHBondContact O-N 3.47Å; F1121-Q1123 PolarHBondContact O-N 3.32Å; Q1123-Q1125 VanDerWaalsContact C-N 3.34Å; Q1123-Q1125 PolarHBondContact O-N 2.57Å; Q1123-I1126 WeakPolarHBondContact O-CB 3.23Å; Q1123-I1126 PolarHBondContact O-N 3.42Å; Q1123-I1127 WeakPolarHBondContact O-CG1 3.22Å; Q1123-I1127 PolarHBondContact O-N 2.98Å; Q1123-Y1155 PolarHBondContact OE1-OH 2.99Å; Q1123-L1159 HydrophobicContact CB-CD1 4.05Å; Q1123-L1159 HydrophobicContact CB-CD2 4.39Å; Q1123-Y1163 PolarHBondContact NE2-OH 3.16Å
1124	L	87.5	Confident	78.5	Confident	75 Å²	75	80.8 Å²	80.8	39%	0.393	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-37.6	173.5	-71.9	171.8	0	0	0	112.6	L1120 F1121 I1126 I1127 S1128 L1156 L1159	L1120-L1124 HydrophobicContact CD1-CD1 4.21Å; L1120-L1124 HydrophobicContact CD1-CG 4.29Å; L1120-L1124 HydrophobicContact CG-CD1 4.12Å; L1120-L1124 WeakPolarHBondContact O-CG 3.35Å; L1120-L1124 PolarHBondContact O-N 3.44Å; F1121-L1124 PolarHBondContact O-N 3.32Å; L1124-I1126 VanDerWaalsContact C-N 3.35Å; L1124-I1127 PolarHBondContact O-N 3.14Å; L1124-S1128 WeakPolarHBondContact O-CB 3.4Å; L1124-S1128 PolarHBondContact O-N 3.29Å; L1124-L1156 HydrophobicContact CD2-CD2 3.98Å; L1124-L1159 HydrophobicContact CD2-CD1 4.27Å
1125	Q	81.8	Confident	78.6	Confident	109 Å²	109	83.7 Å²	83.7	51%	0.509	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-39.9	173.5	-78	-171.9	-18.5	0	0	112.5	F1121 R1122 Q1123 S1128 K1129	F1121-Q1125 HydrophobicContact CD1-CG 4.34Å; F1121-Q1125 HydrophobicContact CE1-CG 4.13Å; F1121-Q1125 HydrophobicContact CZ-CG 4.49Å; F1121-Q1125 WeakPolarHBondContact O-CG 3.43Å; F1121-Q1125 PolarHBondContact O-N 3.36Å; R1122-Q1125 PolarHBondContact O-N 3.37Å; Q1123-Q1125 VanDerWaalsContact C-N 3.34Å; Q1123-Q1125 PolarHBondContact O-N 2.57Å; Q1125-S1128 PolarHBondContact O-N 2.71Å; Q1125-K1129 WeakPolarHBondContact O-CB 3.49Å; Q1125-K1129 PolarHBondContact O-N 3.47Å
1126	I	77.6	Confident	78.8	Confident	96 Å²	96	80.9 Å²	80.9	49%	0.492	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-46.2	176.4	-67.4	164.8	0	0	0	110.1	R1122 Q1123 L1124 S1128 K1129 A1130	R1122-I1126 WeakPolarHBondContact O-CG1 3.38Å; R1122-I1126 PolarHBondContact O-N 3.21Å; R1122-I1126 VanDerWaalsContact O-N 3.11Å; Q1123-I1126 WeakPolarHBondContact O-CB 3.23Å; Q1123-I1126 PolarHBondContact O-N 3.42Å; L1124-I1126 VanDerWaalsContact C-N 3.35Å; I1126-S1128 PolarHBondContact O-N 3.48Å; I1126-K1129 PolarHBondContact O-N 3.39Å; I1126-A1130 WeakPolarHBondContact O-CB 3.46Å; I1126-A1130 PolarHBondContact O-N 3.21Å
1127	I	84.4	Confident	78.3	Confident	16 Å²	16	80.8 Å²	80.8	8%	0.082	40%	0.402	C	S	.	.	H	α-helix	trans	-61.5	-45.8	177.3	-64.4	168.7	0	0	0	111	Q1123 L1124 K1129 A1130 Y1131 I1152 Y1155 L1156 L1159	Q1123-I1127 WeakPolarHBondContact O-CG1 3.22Å; Q1123-I1127 PolarHBondContact O-N 2.98Å; L1124-I1127 PolarHBondContact O-N 3.14Å; I1127-K1129 VanDerWaalsContact C-N 3.25Å; I1127-K1129 PolarHBondContact O-N 3.36Å; I1127-A1130 PolarHBondContact O-N 3.19Å; I1127-Y1131 WeakPolarHBondContact O-CB 3.39Å; I1127-Y1131 PolarHBondContact O-N 2.85Å; I1127-I1152 HydrophobicContact CG2-CG2 3.68Å; I1127-Y1155 HydrophobicContact CD1-CD1 3.4Å; I1127-Y1155 VanDerWaalsContact CD1-CD1 3.4Å; I1127-Y1155 HydrophobicContact CD1-CE1 3.71Å; I1127-Y1155 HydrophobicContact CG1-CD1 3.67Å; I1127-Y1155 HydrophobicContact CG1-CE1 3.9Å; I1127-L1156 HydrophobicContact CD1-CD2 3.64Å; I1127-L1156 HydrophobicContact CD1-CG 4.12Å; I1127-L1156 HydrophobicContact CG2-CD2 4.33Å; I1127-L1156 HydrophobicContact CG2-CG 4.42Å; I1127-L1159 HydrophobicContact CD1-CD1 3.5Å
1128	S	81.5	Confident	77.7	Confident	64 Å²	64	83.8 Å²	83.8	45%	0.448	42%	0.417	S	S	.	.	H	α-helix	trans	-56.8	-42.8	177.8	-177.2	0	0	0	0	111.3	L1124 Q1125 I1126 Y1131 Q1132	L1124-S1128 WeakPolarHBondContact O-CB 3.4Å; L1124-S1128 PolarHBondContact O-N 3.29Å; Q1125-S1128 PolarHBondContact O-N 2.71Å; I1126-S1128 PolarHBondContact O-N 3.48Å; S1128-Y1131 PolarHBondContact O-N 3.06Å; S1128-Q1132 VanDerWaalsContact O-CG 3.32Å; S1128-Q1132 WeakPolarHBondContact O-CG 3.5Å; S1128-Q1132 PolarHBondContact O-N 3.24Å
1129	K	76.3	Confident	77.7	Confident	148 Å²	148	86 Å²	86	64%	0.643	43%	0.427	S	S	*	.	H	α-helix	trans	-69.9	-40	177.9	-161.7	162.3	-174	172.2	0	112.5	Q1125 I1126 I1127 Y1131 Q1132 T1133	Q1125-K1129 WeakPolarHBondContact O-CB 3.49Å; Q1125-K1129 PolarHBondContact O-N 3.47Å; I1126-K1129 PolarHBondContact O-N 3.39Å; I1127-K1129 VanDerWaalsContact C-N 3.25Å; I1127-K1129 PolarHBondContact O-N 3.36Å; K1129-Y1131 VanDerWaalsContact C-N 3.34Å; K1129-Q1132 PolarHBondContact O-N 3.25Å; K1129-T1133 PolarHBondContact O-N 3.4Å; K1129-T1133 PolarHBondContact O-OG1 3.3Å
1130	A	76.3	Confident	77.6	Confident	42 Å²	42	84.9 Å²	84.9	35%	0.347	42%	0.423	S	S	.	.	H	α-helix	trans	-60.1	-44.8	173.5	0	0	0	0	0	111.2	I1126 I1127 T1133 L1134 I1152	I1126-A1130 WeakPolarHBondContact O-CB 3.46Å; I1126-A1130 PolarHBondContact O-N 3.21Å; I1127-A1130 PolarHBondContact O-N 3.19Å; A1130-T1133 WeakPolarHBondContact O-CB 3.47Å; A1130-T1133 PolarHBondContact O-N 3.47Å; A1130-L1134 PolarHBondContact O-N 3.35Å; A1130-I1152 HydrophobicContact CB-CD1 4.4Å
1131	Y	79.6	Confident	77.2	Confident	109 Å²	109	86.3 Å²	86.3	43%	0.427	43%	0.434	S	S	.	.	H	α-helix	trans	-66.3	-39.3	178	-164.2	-94.4	0	0	0	112.9	I1127 S1128 K1129 T1133 L1134 N1135 I1152	I1127-Y1131 WeakPolarHBondContact O-CB 3.39Å; I1127-Y1131 PolarHBondContact O-N 2.85Å; S1128-Y1131 PolarHBondContact O-N 3.06Å; K1129-Y1131 VanDerWaalsContact C-N 3.34Å; Y1131-T1133 VanDerWaalsContact C-N 3.31Å; Y1131-T1133 PolarHBondContact O-N 3.33Å; Y1131-L1134 WeakPolarHBondContact O-CB 3.13Å; Y1131-L1134 PolarHBondContact O-N 3.04Å; Y1131-N1135 PolarHBondContact O-N 3.28Å; Y1131-I1152 HydrophobicContact CD2-CD1 4.13Å
1132	Q	77	Confident	76.9	Confident	119 Å²	119	86.8 Å²	86.8	56%	0.556	44%	0.442	S	S	*	.	H	α-helix	trans	-62.3	-38.7	172.3	-76.4	176.2	-5.5	0	0	112.3	S1128 K1129 L1134 N1135 T1136	S1128-Q1132 VanDerWaalsContact O-CG 3.32Å; S1128-Q1132 WeakPolarHBondContact O-CG 3.5Å; S1128-Q1132 PolarHBondContact O-N 3.24Å; K1129-Q1132 PolarHBondContact O-N 3.25Å; Q1132-L1134 VanDerWaalsContact C-N 3.33Å; Q1132-N1135 PolarHBondContact O-N 3.05Å; Q1132-T1136 PolarHBondContact O-N 3.15Å; Q1132-T1136 PolarHBondContact O-OG1 3.04Å
1133	T	73.9	Confident	76.9	Confident	66 Å²	66	86.9 Å²	86.9	41%	0.405	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-41	178.1	-46	0	0	0	0	110.4	K1129 A1130 Y1131 N1135 T1136 D1137	K1129-T1133 PolarHBondContact O-N 3.4Å; K1129-T1133 PolarHBondContact O-OG1 3.3Å; A1130-T1133 WeakPolarHBondContact O-CB 3.47Å; A1130-T1133 PolarHBondContact O-N 3.47Å; Y1131-T1133 VanDerWaalsContact C-N 3.31Å; Y1131-T1133 PolarHBondContact O-N 3.33Å; T1133-N1135 VanDerWaalsContact C-N 3.28Å; T1133-N1135 PolarHBondContact O-N 3.4Å; T1133-T1136 WeakPolarHBondContact CA-OG1 3.41Å; T1133-T1136 PolarHBondContact O-N 2.97Å; T1133-T1136 PolarHBondContact O-OG1 3.48Å; T1133-T1136 VanDerWaalsContact O-OG1 3.09Å; T1133-D1137 PolarHBondContact O-N 2.94Å
1134	L	78	Confident	76.6	Confident	7 Å²	7	90.2 Å²	90.2	4%	0.037	47%	0.469	C	S	.	.	H	α-helix	trans	-58.2	-37	176.8	-156.4	107.2	0	0	0	113.8	A1130 Y1131 Q1132 K1145 I1148 Q1149	A1130-L1134 PolarHBondContact O-N 3.35Å; Y1131-L1134 WeakPolarHBondContact O-CB 3.13Å; Y1131-L1134 PolarHBondContact O-N 3.04Å; Q1132-L1134 VanDerWaalsContact C-N 3.33Å; L1134-K1145 HydrophobicContact CD2-CB 4.28Å; L1134-K1145 HydrophobicContact CD2-CG 4.5Å; L1134-K1145 HydrophobicContact CG-CG 4.35Å; L1134-I1148 HydrophobicContact CD1-CB 3.45Å; L1134-I1148 VanDerWaalsContact CD1-CB 3.45Å; L1134-I1148 HydrophobicContact CD1-CD1 3.78Å; L1134-I1148 HydrophobicContact CD1-CG1 4.22Å; L1134-I1148 HydrophobicContact CD1-CG2 3.31Å; L1134-Q1149 HydrophobicContact CD2-CG 3.65Å
1135	N	73.7	Confident	76.1	Confident	108 Å²	108	89.2 Å²	89.2	58%	0.578	46%	0.461	S	S	*	.	H	α-helix	trans	-79.7	-19.8	178.3	-76.8	-21.8	0	0	0	113.6	Y1131 Q1132 T1133	Y1131-N1135 PolarHBondContact O-N 3.28Å; Q1132-N1135 PolarHBondContact O-N 3.05Å; T1133-N1135 VanDerWaalsContact C-N 3.28Å; T1133-N1135 PolarHBondContact O-N 3.4Å
1136	T	73.6	Confident	76	Confident	106 Å²	106	90.2 Å²	90.2	65%	0.65	47%	0.466	S	S	*	.	H	α-helix	trans	-98.9	-28.3	-176.8	44.7	0	0	0	0	113.1	Q1132 T1133 Q1138	Q1132-T1136 PolarHBondContact O-N 3.15Å; Q1132-T1136 PolarHBondContact O-OG1 3.04Å; T1133-T1136 WeakPolarHBondContact CA-OG1 3.41Å; T1133-T1136 PolarHBondContact O-N 2.97Å; T1133-T1136 PolarHBondContact O-OG1 3.48Å; T1133-T1136 VanDerWaalsContact O-OG1 3.09Å; T1136-Q1138 PolarHBondContact O-N 3.43Å
1137	D	65.1	Low	76	Confident	66 Å²	66	91 Å²	91	35%	0.353	47%	0.471	S	S	.	.			trans	-76.7	113.9	-179.7	-106.2	-37.5	0	0	0	112.4	T1133 H1139 L1140 K1145	T1133-D1137 PolarHBondContact O-N 2.94Å; D1137-H1139 VanDerWaalsContact C-N 3.26Å; D1137-L1140 HydrophobicContact CB-CD1 3.71Å; D1137-L1140 HydrophobicContact CB-CG 4.41Å; D1137-K1145 PolarHBondContact O-NZ 3.28Å; D1137-K1145 VanDerWaalsContact O-NZ 3.08Å
1138	Q	64.7	Low	75.7	Confident	186 Å²	186	92.9 Å²	92.9	87%	0.869	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.1	174.4	-67.1	-172.6	-8.2	0	0	112.9	T1136	T1136-Q1138 PolarHBondContact O-N 3.43Å
1139	H	72.7	Confident	75.8	Confident	174 Å²	174	93.8 Å²	93.8	81%	0.806	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.7	-172.8	-70.5	-70.4	0	0	0	115.2	D1137	D1137-H1139 VanDerWaalsContact C-N 3.26Å
1140	L	73.6	Confident	76.1	Confident	44 Å²	44	92.4 Å²	92.4	23%	0.23	47%	0.473	C	S	.	.	S	Bend	trans	-84.4	132.9	179.8	-73.6	152.6	0	0	0	110.9	D1137 E1144 K1145 I1148	D1137-L1140 HydrophobicContact CB-CD1 3.71Å; D1137-L1140 HydrophobicContact CB-CG 4.41Å; L1140-E1144 HydrophobicContact CD2-CB 3.97Å; L1140-K1145 HydrophobicContact CB-CD 4.42Å; L1140-K1145 HydrophobicContact CB-CG 3.86Å; L1140-I1148 HydrophobicContact CD2-CD1 4.05Å
1141	S	78.2	Confident	76.3	Confident	48 Å²	48	96.9 Å²	96.9	34%	0.336	49%	0.487	S	S	.	.			trans	-66.3	154.9	170.6	66.5	0	0	0	0	111.1	T1143 E1144 K1145	S1141-T1143 PolarHBondContact O-N 3.28Å; S1141-T1143 PolarHBondContact OG-OG1 2.82Å; S1141-E1144 WeakPolarHBondContact CB-OE2 3.47Å; S1141-E1144 PolarHBondContact N-OE2 2.81Å; S1141-E1144 PolarHBondContact O-N 2.93Å; S1141-E1144 VanDerWaalsContact O-N 3.16Å; S1141-E1144 VanDerWaalsContact OG-CG 3.22Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.29Å; S1141-E1144 PolarHBondContact OG-N 3.04Å; S1141-E1144 PolarHBondContact OG-OE2 3.23Å; S1141-K1145 PolarHBondContact O-N 2.71Å
1142	N	77.6	Confident	76.6	Confident	128 Å²	128	92.7 Å²	92.7	68%	0.684	47%	0.472	S	S	*	.	H	α-helix	trans	-58.6	-35.7	179.9	-73.1	-11.4	0	0	0	112.7	K1145 E1146	N1142-K1145 PolarHBondContact O-N 2.7Å; N1142-E1146 PolarHBondContact O-N 2.84Å
1143	T	78.1	Confident	77	Confident	92 Å²	92	89.6 Å²	89.6	56%	0.564	46%	0.463	S	S	*	.	H	α-helix	trans	-64.8	-44.2	175.7	39.2	0	0	0	0	112	S1141 K1145 E1146 D1147	S1141-T1143 PolarHBondContact O-N 3.28Å; S1141-T1143 PolarHBondContact OG-OG1 2.82Å; T1143-K1145 VanDerWaalsContact C-N 3.28Å; T1143-K1145 PolarHBondContact O-N 3.3Å; T1143-E1146 PolarHBondContact O-N 2.81Å; T1143-D1147 PolarHBondContact O-N 3Å
1144	E	76.5	Confident	77.6	Confident	92 Å²	92	90 Å²	90	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-64.2	-35	175.8	-70.8	163.4	142.4	0	0	111.6	L1140 S1141 I1148	L1140-E1144 HydrophobicContact CD2-CB 3.97Å; S1141-E1144 WeakPolarHBondContact CB-OE2 3.47Å; S1141-E1144 PolarHBondContact N-OE2 2.81Å; S1141-E1144 PolarHBondContact O-N 2.93Å; S1141-E1144 VanDerWaalsContact O-N 3.16Å; S1141-E1144 VanDerWaalsContact OG-CG 3.22Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.29Å; S1141-E1144 PolarHBondContact OG-N 3.04Å; S1141-E1144 PolarHBondContact OG-OE2 3.23Å; E1144-I1148 WeakPolarHBondContact O-CD1 3.5Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.37Å; E1144-I1148 PolarHBondContact O-N 3.01Å; E1144-I1148 VanDerWaalsContact O-N 3.08Å
1145	K	77.5	Confident	78	Confident	53 Å²	53	94 Å²	94	23%	0.23	48%	0.478	C	S	.	.	H	α-helix	trans	-65.3	-41.8	175.2	-70	-172.6	-180	-166.6	0	112.2	L1134 D1137 L1140 S1141 N1142 T1143 Q1149	L1134-K1145 HydrophobicContact CD2-CB 4.28Å; L1134-K1145 HydrophobicContact CD2-CG 4.5Å; L1134-K1145 HydrophobicContact CG-CG 4.35Å; D1137-K1145 PolarHBondContact O-NZ 3.28Å; D1137-K1145 VanDerWaalsContact O-NZ 3.08Å; L1140-K1145 HydrophobicContact CB-CD 4.42Å; L1140-K1145 HydrophobicContact CB-CG 3.86Å; S1141-K1145 PolarHBondContact O-N 2.71Å; N1142-K1145 PolarHBondContact O-N 2.7Å; T1143-K1145 VanDerWaalsContact C-N 3.28Å; T1143-K1145 PolarHBondContact O-N 3.3Å; K1145-Q1149 WeakPolarHBondContact O-CB 3.32Å; K1145-Q1149 WeakPolarHBondContact O-CG 3.38Å; K1145-Q1149 PolarHBondContact O-N 3.2Å
1146	E	79.8	Confident	78.7	Confident	131 Å²	131	92.4 Å²	92.4	61%	0.612	47%	0.469	S	S	*	.	H	α-helix	trans	-65.4	-43.8	176.5	-74.7	178.1	179.3	0	0	111.7	N1142 T1143 I1148 Q1149 H1150	N1142-E1146 PolarHBondContact O-N 2.84Å; T1143-E1146 PolarHBondContact O-N 2.81Å; E1146-I1148 PolarHBondContact O-N 2.89Å; E1146-Q1149 PolarHBondContact O-N 3.47Å; E1146-H1150 WeakPolarHBondContact O-CB 3.46Å; E1146-H1150 PolarHBondContact O-N 3.37Å
1147	D	78.2	Confident	79.3	Confident	113 Å²	113	93.5 Å²	93.5	60%	0.604	47%	0.465	S	S	*	.	H	α-helix	trans	-60.6	-46.8	178.1	-74	-21.7	0	0	0	111.6	T1143 H1150 E1151	T1143-D1147 PolarHBondContact O-N 3Å; D1147-H1150 PolarHBondContact O-N 2.95Å; D1147-E1151 PolarHBondContact O-N 3.45Å
1148	I	77.1	Confident	80.4	Confident	54 Å²	54	94.9 Å²	94.9	28%	0.277	47%	0.468	S	S	.	.	H	α-helix	trans	-67.1	-38.2	178	-61.1	162.6	0	0	0	110.8	L1134 L1140 E1144 E1146 H1150 E1151 I1152	L1134-I1148 HydrophobicContact CD1-CB 3.45Å; L1134-I1148 VanDerWaalsContact CD1-CB 3.45Å; L1134-I1148 HydrophobicContact CD1-CD1 3.78Å; L1134-I1148 HydrophobicContact CD1-CG1 4.22Å; L1134-I1148 HydrophobicContact CD1-CG2 3.31Å; L1140-I1148 HydrophobicContact CD2-CD1 4.05Å; E1144-I1148 WeakPolarHBondContact O-CD1 3.5Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.37Å; E1144-I1148 PolarHBondContact O-N 3.01Å; E1144-I1148 VanDerWaalsContact O-N 3.08Å; E1146-I1148 PolarHBondContact O-N 2.89Å; I1148-H1150 VanDerWaalsContact C-N 3.32Å; I1148-H1150 PolarHBondContact O-N 3.13Å; I1148-E1151 PolarHBondContact O-N 3.09Å; I1148-I1152 HydrophobicContact CG2-CD1 3.96Å; I1148-I1152 HydrophobicContact CG2-CG1 4.37Å; I1148-I1152 WeakPolarHBondContact O-CB 3.32Å; I1148-I1152 VanDerWaalsContact O-CG1 3.3Å; I1148-I1152 WeakPolarHBondContact O-CG1 3.49Å; I1148-I1152 PolarHBondContact O-N 3.2Å
1149	Q	84.8	Confident	81.4	Confident	83 Å²	83	86.2 Å²	86.2	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-41.5	174.1	-81.4	-177.1	-3.4	0	0	111.8	L1134 K1145 E1146 I1152 S1153	L1134-Q1149 HydrophobicContact CD2-CG 3.65Å; K1145-Q1149 WeakPolarHBondContact O-CB 3.32Å; K1145-Q1149 WeakPolarHBondContact O-CG 3.38Å; K1145-Q1149 PolarHBondContact O-N 3.2Å; E1146-Q1149 PolarHBondContact O-N 3.47Å; Q1149-I1152 PolarHBondContact O-N 2.79Å; Q1149-S1153 PolarHBondContact O-N 3.34Å
1150	H	82.4	Confident	82	Confident	120 Å²	120	84.1 Å²	84.1	56%	0.556	42%	0.418	S	S	*	.	H	α-helix	trans	-64	-42.6	176.3	-168.4	64.7	0	0	0	111.4	E1146 D1147 I1148 S1153 N1154	E1146-H1150 WeakPolarHBondContact O-CB 3.46Å; E1146-H1150 PolarHBondContact O-N 3.37Å; D1147-H1150 PolarHBondContact O-N 2.95Å; I1148-H1150 VanDerWaalsContact C-N 3.32Å; I1148-H1150 PolarHBondContact O-N 3.13Å; H1150-S1153 PolarHBondContact O-N 2.94Å; H1150-N1154 PolarHBondContact CD2-ND2 2.99Å; H1150-N1154 PolarHBondContact NE2-ND2 3Å; H1150-N1154 VanDerWaalsContact NE2-ND2 3.16Å; H1150-N1154 PolarHBondContact O-N 3.44Å; H1150-N1154 PolarHBondContact O-ND2 3.11Å
1151	E	81.1	Confident	82.4	Confident	136 Å²	136	90.6 Å²	90.6	64%	0.636	44%	0.441	S	S	*	.	H	α-helix	trans	-63.1	-44.3	176.4	-165.8	177.5	-174	0	0	112.1	D1147 I1148 S1153 N1154 Y1155	D1147-E1151 PolarHBondContact O-N 3.45Å; I1148-E1151 PolarHBondContact O-N 3.09Å; E1151-S1153 VanDerWaalsContact C-N 3.33Å; E1151-S1153 PolarHBondContact O-N 2.95Å; E1151-N1154 PolarHBondContact O-N 3.37Å; E1151-Y1155 WeakPolarHBondContact O-CB 3.5Å; E1151-Y1155 PolarHBondContact O-N 3.4Å
1152	I	85.4	Confident	82.5	Confident	21 Å²	21	95.8 Å²	95.8	11%	0.108	45%	0.453	C	S	.	.	H	α-helix	trans	-59.4	-44.1	174.5	-72	170.1	0	0	0	110.8	I1127 A1130 Y1131 I1148 Q1149 N1154 Y1155 L1156	I1127-I1152 HydrophobicContact CG2-CG2 3.68Å; A1130-I1152 HydrophobicContact CB-CD1 4.4Å; Y1131-I1152 HydrophobicContact CD2-CD1 4.13Å; I1148-I1152 HydrophobicContact CG2-CD1 3.96Å; I1148-I1152 HydrophobicContact CG2-CG1 4.37Å; I1148-I1152 WeakPolarHBondContact O-CB 3.32Å; I1148-I1152 VanDerWaalsContact O-CG1 3.3Å; I1148-I1152 WeakPolarHBondContact O-CG1 3.49Å; I1148-I1152 PolarHBondContact O-N 3.2Å; Q1149-I1152 PolarHBondContact O-N 2.79Å; I1152-N1154 PolarHBondContact O-N 3.41Å; I1152-Y1155 PolarHBondContact O-N 3.48Å; I1152-L1156 HydrophobicContact CG2-CD1 4.11Å; I1152-L1156 WeakPolarHBondContact O-CG 3.49Å; I1152-L1156 PolarHBondContact O-N 3.31Å
1153	S	85.8	Confident	82.9	Confident	54 Å²	54	90.1 Å²	90.1	38%	0.378	42%	0.422	S	S	.	.	H	α-helix	trans	-63.6	-39.9	178	-175	0	0	0	0	112.4	Q1149 H1150 E1151 K1157	Q1149-S1153 PolarHBondContact O-N 3.34Å; H1150-S1153 PolarHBondContact O-N 2.94Å; E1151-S1153 VanDerWaalsContact C-N 3.33Å; E1151-S1153 PolarHBondContact O-N 2.95Å; S1153-K1157 PolarHBondContact O-N 2.89Å
1154	N	85	Confident	83	Confident	74 Å²	74	90.2 Å²	90.2	40%	0.396	42%	0.416	S	S	.	.	H	α-helix	trans	-68.2	-38.9	177.3	-72.7	-24.4	0	0	0	111.3	H1150 E1151 I1152 K1157 F1158	H1150-N1154 PolarHBondContact CD2-ND2 2.99Å; H1150-N1154 PolarHBondContact NE2-ND2 3Å; H1150-N1154 VanDerWaalsContact NE2-ND2 3.16Å; H1150-N1154 PolarHBondContact O-N 3.44Å; H1150-N1154 PolarHBondContact O-ND2 3.11Å; E1151-N1154 PolarHBondContact O-N 3.37Å; I1152-N1154 PolarHBondContact O-N 3.41Å; N1154-K1157 PolarHBondContact O-N 2.77Å; N1154-F1158 PolarHBondContact O-N 3.07Å
1155	Y	87.5	Confident	82.9	Confident	92 Å²	92	95 Å²	95	36%	0.361	44%	0.436	S	S	.	.	H	α-helix	trans	-67.1	-39.4	176.6	-167.9	-118.6	0	0	0	112	Q1123 I1127 E1151 I1152 K1157 F1158 L1159	Q1123-Y1155 PolarHBondContact OE1-OH 2.99Å; I1127-Y1155 HydrophobicContact CD1-CD1 3.4Å; I1127-Y1155 VanDerWaalsContact CD1-CD1 3.4Å; I1127-Y1155 HydrophobicContact CD1-CE1 3.71Å; I1127-Y1155 HydrophobicContact CG1-CD1 3.67Å; I1127-Y1155 HydrophobicContact CG1-CE1 3.9Å; E1151-Y1155 WeakPolarHBondContact O-CB 3.5Å; E1151-Y1155 PolarHBondContact O-N 3.4Å; I1152-Y1155 PolarHBondContact O-N 3.48Å; Y1155-K1157 PolarHBondContact O-N 2.92Å; Y1155-F1158 HydrophobicContact CD2-CD1 4.03Å; Y1155-F1158 AromaticContact CE2-CD1 3.88Å; Y1155-F1158 HydrophobicContact CE2-CD1 3.88Å; Y1155-F1158 HydrophobicContact CE2-CE1 4.17Å; Y1155-F1158 WeakPolarHBondContact O-CB 3.42Å; Y1155-F1158 PolarHBondContact O-N 3.23Å; Y1155-L1159 HydrophobicContact CD1-CD1 4.41Å; Y1155-L1159 HydrophobicContact CD1-CG 4.48Å; Y1155-L1159 HydrophobicContact CE1-CD1 4.1Å; Y1155-L1159 HydrophobicContact CE1-CD2 4.25Å; Y1155-L1159 HydrophobicContact CE1-CG 4.27Å; Y1155-L1159 HydrophobicContact CE2-CD2 4.41Å; Y1155-L1159 WeakPolarHBondContact O-CG 3.42Å; Y1155-L1159 PolarHBondContact O-N 3.49Å
1156	L	88.6	Confident	83	Confident	73 Å²	73	94.8 Å²	94.8	38%	0.382	44%	0.436	S	S	.	.	H	α-helix	trans	-60.9	-43.5	173.8	-76.7	169.7	0	0	0	112.6	L1124 I1127 I1152 F1158 L1159 E1160	L1124-L1156 HydrophobicContact CD2-CD2 3.98Å; I1127-L1156 HydrophobicContact CD1-CD2 3.64Å; I1127-L1156 HydrophobicContact CD1-CG 4.12Å; I1127-L1156 HydrophobicContact CG2-CD2 4.33Å; I1127-L1156 HydrophobicContact CG2-CG 4.42Å; I1152-L1156 HydrophobicContact CG2-CD1 4.11Å; I1152-L1156 WeakPolarHBondContact O-CG 3.49Å; I1152-L1156 PolarHBondContact O-N 3.31Å; L1156-F1158 VanDerWaalsContact C-N 3.3Å; L1156-F1158 PolarHBondContact O-N 3.24Å; L1156-L1159 PolarHBondContact O-N 3.43Å; L1156-E1160 PolarHBondContact O-N 3.23Å
1157	K	86	Confident	82.8	Confident	130 Å²	130	93.6 Å²	93.6	57%	0.565	43%	0.434	S	S	*	.	H	α-helix	trans	-60.9	-39.2	173.4	-73.7	179.5	179.9	177.4	0	112.2	S1153 N1154 Y1155 E1160 Y1161	S1153-K1157 PolarHBondContact O-N 2.89Å; N1154-K1157 PolarHBondContact O-N 2.77Å; Y1155-K1157 PolarHBondContact O-N 2.92Å; K1157-E1160 PolarHBondContact O-N 2.86Å; K1157-Y1161 PolarHBondContact O-N 3.49Å
1158	F	88.2	Confident	82.5	Confident	94 Å²	94	97.2 Å²	97.2	41%	0.412	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-42	174.4	166.6	-97.3	0	0	0	112	N1154 Y1155 L1156 Y1161 R1162	N1154-F1158 PolarHBondContact O-N 3.07Å; Y1155-F1158 HydrophobicContact CD2-CD1 4.03Å; Y1155-F1158 AromaticContact CE2-CD1 3.88Å; Y1155-F1158 HydrophobicContact CE2-CD1 3.88Å; Y1155-F1158 HydrophobicContact CE2-CE1 4.17Å; Y1155-F1158 WeakPolarHBondContact O-CB 3.42Å; Y1155-F1158 PolarHBondContact O-N 3.23Å; L1156-F1158 VanDerWaalsContact C-N 3.3Å; L1156-F1158 PolarHBondContact O-N 3.24Å; F1158-Y1161 PolarHBondContact O-N 2.83Å; F1158-R1162 HydrophobicContact CZ-CB 4.46Å; F1158-R1162 VanDerWaalsContact O-CB 3.23Å; F1158-R1162 WeakPolarHBondContact O-CB 3Å; F1158-R1162 PolarHBondContact O-N 3.18Å
1159	L	85.4	Confident	82.8	Confident	5 Å²	5	99.4 Å²	99.4	3%	0.026	46%	0.456	C	S	.	.	H	α-helix	trans	-63.8	-43.9	176	-64.3	-170.7	0	0	0	111.8	L1120 Q1123 L1124 I1127 Y1155 L1156 Y1161 R1162 Y1163	L1120-L1159 HydrophobicContact CD1-CB 4.35Å; L1120-L1159 HydrophobicContact CD1-CD1 4.43Å; Q1123-L1159 HydrophobicContact CB-CD1 4.05Å; Q1123-L1159 HydrophobicContact CB-CD2 4.39Å; L1124-L1159 HydrophobicContact CD2-CD1 4.27Å; I1127-L1159 HydrophobicContact CD1-CD1 3.5Å; Y1155-L1159 HydrophobicContact CD1-CD1 4.41Å; Y1155-L1159 HydrophobicContact CD1-CG 4.48Å; Y1155-L1159 HydrophobicContact CE1-CD1 4.1Å; Y1155-L1159 HydrophobicContact CE1-CD2 4.25Å; Y1155-L1159 HydrophobicContact CE1-CG 4.27Å; Y1155-L1159 HydrophobicContact CE2-CD2 4.41Å; Y1155-L1159 WeakPolarHBondContact O-CG 3.42Å; Y1155-L1159 PolarHBondContact O-N 3.49Å; L1156-L1159 PolarHBondContact O-N 3.43Å; L1159-Y1161 VanDerWaalsContact C-N 3.33Å; L1159-Y1161 PolarHBondContact O-N 3.12Å; L1159-R1162 PolarHBondContact O-N 3.06Å; L1159-Y1163 HydrophobicContact CB-CD2 4.46Å; L1159-Y1163 HydrophobicContact CD2-CD2 4.36Å; L1159-Y1163 HydrophobicContact CD2-CE2 3.94Å; L1159-Y1163 WeakPolarHBondContact O-CB 3.47Å; L1159-Y1163 VanDerWaalsContact O-CD2 3.32Å; L1159-Y1163 WeakPolarHBondContact O-CD2 3.47Å; L1159-Y1163 PolarHBondContact O-N 3.33Å
1160	E	85	Confident	82.7	Confident	130 Å²	130	100.2 Å²	100.2	61%	0.607	46%	0.459	S	S	*	.	H	α-helix	trans	-56.8	-46.7	176	-173.7	178.5	-168.5	0	0	111.4	L1156 K1157 Q1164	L1156-E1160 PolarHBondContact O-N 3.23Å; K1157-E1160 PolarHBondContact O-N 2.86Å; E1160-Q1164 WeakPolarHBondContact O-CA 3.5Å; E1160-Q1164 WeakPolarHBondContact O-CB 3.35Å; E1160-Q1164 PolarHBondContact O-N 2.74Å
1161	Y	82.3	Confident	82.7	Confident	180 Å²	180	99.1 Å²	99.1	71%	0.706	45%	0.454	S	S	*	.	H	α-helix	trans	-66.5	-45.8	176.9	-175.7	-100.9	0	0	0	112.8	K1157 F1158 L1159 Y1163 Q1164	K1157-Y1161 PolarHBondContact O-N 3.49Å; F1158-Y1161 PolarHBondContact O-N 2.83Å; L1159-Y1161 VanDerWaalsContact C-N 3.33Å; L1159-Y1161 PolarHBondContact O-N 3.12Å; Y1161-Y1163 PolarHBondContact O-N 3.04Å; Y1161-Q1164 WeakPolarHBondContact O-CB 3.43Å; Y1161-Q1164 PolarHBondContact O-N 3.02Å
1162	R	79.5	Confident	82.8	Confident	156 Å²	156	96.9 Å²	96.9	59%	0.589	44%	0.443	S	S	*	.	H	α-helix	trans	-64.5	-39	-177.4	-179.9	177.4	-177.7	97	0.3	112.5	F1158 L1159	F1158-R1162 HydrophobicContact CZ-CB 4.46Å; F1158-R1162 VanDerWaalsContact O-CB 3.23Å; F1158-R1162 WeakPolarHBondContact O-CB 3Å; F1158-R1162 PolarHBondContact O-N 3.18Å; L1159-R1162 PolarHBondContact O-N 3.06Å
1163	Y	86	Confident	82.6	Confident	9 Å²	9	101.7 Å²	101.7	4%	0.035	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	15.1	-176.6	-63.1	-87.3	0	0	0	112.4	L1116 E1119 L1120 Q1123 L1159 Y1161 K1165 L1166 L1167	L1116-Y1163 HydrophobicContact CB-CE1 4.41Å; L1116-Y1163 HydrophobicContact CD2-CE1 4.04Å; E1119-Y1163 WeakPolarHBondContact CG-OH 3.41Å; L1120-Y1163 HydrophobicContact CB-CD1 4.04Å; L1120-Y1163 HydrophobicContact CB-CD2 4.46Å; L1120-Y1163 HydrophobicContact CB-CE1 4.04Å; L1120-Y1163 HydrophobicContact CB-CE2 4.48Å; L1120-Y1163 HydrophobicContact CB-CG 4.25Å; L1120-Y1163 HydrophobicContact CD1-CD2 3.67Å; L1120-Y1163 HydrophobicContact CD1-CE2 4.08Å; L1120-Y1163 HydrophobicContact CD1-CG 3.95Å; L1120-Y1163 HydrophobicContact CD2-CG 4.26Å; L1120-Y1163 HydrophobicContact CG-CG 4.38Å; Q1123-Y1163 PolarHBondContact NE2-OH 3.16Å; L1159-Y1163 HydrophobicContact CB-CD2 4.46Å; L1159-Y1163 HydrophobicContact CD2-CD2 4.36Å; L1159-Y1163 HydrophobicContact CD2-CE2 3.94Å; L1159-Y1163 WeakPolarHBondContact O-CB 3.47Å; L1159-Y1163 VanDerWaalsContact O-CD2 3.32Å; L1159-Y1163 WeakPolarHBondContact O-CD2 3.47Å; L1159-Y1163 PolarHBondContact O-N 3.33Å; Y1161-Y1163 PolarHBondContact O-N 3.04Å; Y1163-K1165 VanDerWaalsContact C-N 3.26Å; Y1163-K1165 PolarHBondContact O-N 2.88Å; Y1163-K1165 VanDerWaalsContact O-N 3.17Å; Y1163-L1166 HydrophobicContact CD1-CD2 4.18Å; Y1163-L1166 WeakPolarHBondContact O-CA 3Å; Y1163-L1166 WeakPolarHBondContact O-CB 3.21Å; Y1163-L1166 PolarHBondContact O-N 3.39Å; Y1163-L1167 WeakPolarHBondContact O-CG 3.44Å; Y1163-L1167 PolarHBondContact O-N 2.93Å
1164	Q	81.1	Confident	82.4	Confident	94 Å²	94	104.9 Å²	104.9	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-52.9	-41	-177.5	-169.1	177.2	8.3	0	0	112.9	E1160 Y1161 L1166 L1167 Q1168	E1160-Q1164 WeakPolarHBondContact O-CA 3.5Å; E1160-Q1164 WeakPolarHBondContact O-CB 3.35Å; E1160-Q1164 PolarHBondContact O-N 2.74Å; Y1161-Q1164 WeakPolarHBondContact O-CB 3.43Å; Y1161-Q1164 PolarHBondContact O-N 3.02Å; Q1164-L1166 VanDerWaalsContact C-N 3.31Å; Q1164-L1166 PolarHBondContact O-N 3.26Å; Q1164-L1167 PolarHBondContact O-N 3.46Å; Q1164-Q1168 WeakPolarHBondContact O-CB 3.39Å; Q1164-Q1168 WeakPolarHBondContact O-CG 3.4Å; Q1164-Q1168 PolarHBondContact O-N 3.2Å
1165	K	74.9	Confident	82.2	Confident	194 Å²	194	107.1 Å²	107.1	84%	0.843	48%	0.475	S	S	*	.	H	α-helix	trans	-69.7	-21.5	176.7	-74.2	-172.3	177.4	-177.2	0	115	Y1163	Y1163-K1165 VanDerWaalsContact C-N 3.26Å; Y1163-K1165 PolarHBondContact O-N 2.88Å; Y1163-K1165 VanDerWaalsContact O-N 3.17Å
1166	L	78.7	Confident	81.8	Confident	47 Å²	47	108.2 Å²	108.2	25%	0.246	48%	0.484	C	S	.	.	H	α-helix	trans	-88.8	-30.6	176.2	-170.2	83	0	0	0	110.5	N1113 L1116 E1117 L1120 Y1163 Q1164	N1113-L1166 HydrophobicContact CB-CD1 4.1Å; L1116-L1166 HydrophobicContact CB-CD1 4.06Å; L1116-L1166 HydrophobicContact CB-CD2 4.06Å; E1117-L1166 HydrophobicContact CB-CD2 4.22Å; L1120-L1166 HydrophobicContact CD2-CD2 4.22Å; Y1163-L1166 HydrophobicContact CD1-CD2 4.18Å; Y1163-L1166 WeakPolarHBondContact O-CA 3Å; Y1163-L1166 WeakPolarHBondContact O-CB 3.21Å; Y1163-L1166 PolarHBondContact O-N 3.39Å; Q1164-L1166 VanDerWaalsContact C-N 3.31Å; Q1164-L1166 PolarHBondContact O-N 3.26Å
1167	L	76.2	Confident	81.2	Confident	107 Å²	107	111.2 Å²	111.2	56%	0.56	49%	0.492	S	S	*	.	H	α-helix	trans	-80.2	-32.3	178.8	-70	169.9	0	0	0	112.8	L1120 Y1163 Q1164	L1120-L1167 HydrophobicContact CD2-CD2 4.13Å; Y1163-L1167 WeakPolarHBondContact O-CG 3.44Å; Y1163-L1167 PolarHBondContact O-N 2.93Å; Q1164-L1167 PolarHBondContact O-N 3.46Å
1168	Q	71.4	Confident	80.8	Confident	188 Å²	188	109.5 Å²	109.5	88%	0.879	49%	0.486	S	S	*	.			trans	-73.7	0	165.6	-73	178.9	-10.4	0	0	110.3	Q1164	Q1164-Q1168 WeakPolarHBondContact O-CB 3.39Å; Q1164-Q1168 WeakPolarHBondContact O-CG 3.4Å; Q1164-Q1168 PolarHBondContact O-N 3.2Å

Retrieved 1,168 of 1,168 residues in 855.3 ms (Link to these results)

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