A0A087YDD8_POEFO Loading...

NLR family CARD domain containing 3

AlphaFold DB , UniProt , Accession A0A087YDD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,134 aa.

						>A0A087YDD8_POEFO|A0A087YDD8
MDRKQHYDSLMDRSKRIMWQDDCYLDLQSTSCCAAAHTETQQLHWIQKHKDQLLSFVSHSFLEEILQHLRNVNVLTSAEETSIKAAGQLQDQVNMITSIAAAKESQSSDALQAFIESSDSEVAQLILSYDATVKKHKEVLLQQYEKQRDRDSVSCPKLNISSRSLLMVDGLSDFQQKEHDLMQVGVTRGGRRNHLRQLGLAKLFEPLTRVSLPPRVTLTVGVAGIGKTTWVRHFIRQWCQGTMCPDIHFVLPFTLCELNGLEKLSAERLLKMTFPHLPAPGLVLNDACRTLLIFDGLDEFRSTLNFSDAAPCNDPKKEVSIDDLVTNIIRGNLLPDVSVWVTSRPGVASLIPGGLVDRVTEIPGFSPADIQVFLNHHFSENDFATRIWAHLEAHKILMVMCYIPCICWMLAETLLYIMQSGTQESLPKTCTELYAHFCSMKAEVGEPRGREPVKSEQHHATNRKLLGNLGRLAFYSLLKHKYTFSEQDLRAYGIDLLQTQCSLGVGVLVRTESTIHTTYRFTHLTLQEFLAATFYHVSSKRAIFDLFSESTMSWPKIGFQNHFRSAFQHSQQAEDGHLDLFVRFLTGLLCPTTMKPLAGLLALGKDDGSQKVWAGGFLHSLLSSVGSVVSLRAVNLAYCLQELQHGELLRSVEEDLRQGSLAGKLTRPHCVVLGFLLHVSPECSEQTNLTGCLNYPTVKSLLPQLLYCTHLRLENNNFKDDVMELLGSLLSAKDCHIRKISLADNVISNKGAKALSRALLVNRTLTAINLKNNSIGSKGAKFLAEALKMNQALVSINLQNNSIGEEGAQAIADVLQSNRKLVSLNMRKNTIGAGGAKRIAEALKTNRTLTKLILCSNQLGDKGTVALAEALTFNHTLLSLQLQSNSISNKGMTGLTKALRLNRGLVSLNLRENSIGVEGARNMAHALQENNSLQNLDLTANLLHDDGVQAIAGAIRFNQGLTSLHLQWNFIKSTATKALAQALLSNTTIQLLDLQENTIGNEGVIHLAEALKVNASLRTLCLQGVSAGTSGAVAMAEALTSNQTLQTLDLRGNAVGMEGAKALANSLKSNRSLKSLNLQENSLGMDGAIFIATALKGNHQLAYINLQGNGIGESGAKVISDAIRASAPGCVVDI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	26.5	Very low	229 Å²	229	163.2 Å²	163.2	100%	1.128	78%	0.775	S	S	*	*				0	7.4	0	-84.9	-177	-175.3	0	0	112.7	R3	M1-R3 PolarHBondContact O-N 3.25Å
2	D	29.1	Very low	26.6	Very low	146 Å²	146	156.4 Å²	156.4	78%	0.781	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	46.2	-177.1	-59.6	-51.9	0	0	0	115.6
3	R	25.8	Very low	27	Very low	236 Å²	236	160 Å²	160	89%	0.891	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	1.2	166.7	-83.6	-170.8	-176.8	-176.2	1.5	114	M1	M1-R3 PolarHBondContact O-N 3.25Å
4	K	26.3	Very low	26.9	Very low	177 Å²	177	155.7 Å²	155.7	77%	0.77	75%	0.745	S	S	*	*	S	Bend	trans	-93.2	-20.8	179.8	-119.8	178.9	178.5	-178.1	0	113.9
5	Q	24.4	Very low	26.7	Very low	162 Å²	162	156.1 Å²	156.1	76%	0.757	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-11.8	-178.1	-82.6	-177.2	-16.8	0	0	115.2
6	H	25.3	Very low	27	Very low	160 Å²	160	159.6 Å²	159.6	74%	0.741	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-14.8	179.6	-141.3	44.3	0	0	0	113.9
7	Y	26.3	Very low	26.9	Very low	189 Å²	189	158.8 Å²	158.8	74%	0.741	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-22.1	176.2	-97.8	-86.4	0	0	0	113.8
8	D	25.4	Very low	27	Very low	125 Å²	125	158.2 Å²	158.2	67%	0.668	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-81.6	-15.5	178.2	-73.5	-25.5	0	0	0	112.8	L10	D8-L10 VanDerWaalsContact C-N 3.35Å; D8-L10 PolarHBondContact O-N 3.47Å
9	S	23.7	Very low	27.3	Very low	89 Å²	89	158.9 Å²	158.9	62%	0.622	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-75.9	-16.5	177.2	177.7	0	0	0	0	114.3
10	L	25.8	Very low	27.5	Very low	135 Å²	135	157.4 Å²	157.4	71%	0.707	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-88.8	-5.3	179.7	-87.9	155.4	0	0	0	113.2	D8	D8-L10 VanDerWaalsContact C-N 3.35Å; D8-L10 PolarHBondContact O-N 3.47Å
11	M	25.3	Very low	27.9	Very low	147 Å²	147	156 Å²	156	72%	0.724	73%	0.731	S	S	*	*			trans	-96.8	0.8	-179.3	-75.4	-68.1	-162.8	0	0	114	R13	M11-R13 PolarHBondContact O-N 2.83Å
12	D	28.2	Very low	27.9	Very low	82 Å²	82	152.3 Å²	152.3	44%	0.439	72%	0.716	S	S	.	*			trans	-77.2	58.3	169	-158.1	9	0	0	0	110.8	S14 K15	D12-S14 PolarHBondContact O-N 3.31Å; D12-S14 PolarHBondContact OD1-OG 2.8Å; D12-K15 WeakPolarHBondContact OD2-CE 3.21Å; D12-K15 IonicContact OD2-NZ 2.87Å; D12-K15 PolarHBondContact OD2-NZ 2.83Å
13	R	31.1	Very low	27.9	Very low	203 Å²	203	148.9 Å²	148.9	77%	0.766	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-72.9	3.3	169.9	-68.2	-175.4	178.1	-173.1	-1.1	112.1	M11 K15	M11-R13 PolarHBondContact O-N 2.83Å; R13-K15 VanDerWaalsContact C-N 3.33Å
14	S	25.7	Very low	28.6	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-80.3	-11.7	-177.5	79.6	0	0	0	0	114	D12	D12-S14 PolarHBondContact O-N 3.31Å; D12-S14 PolarHBondContact OD1-OG 2.8Å
15	K	24.9	Very low	29	Very low	162 Å²	162	138.4 Å²	138.4	70%	0.704	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-105.6	3.5	-175.8	-68.5	-178.4	-177.4	157.6	0	115.8	D12 R13	D12-K15 WeakPolarHBondContact OD2-CE 3.21Å; D12-K15 IonicContact OD2-NZ 2.87Å; D12-K15 PolarHBondContact OD2-NZ 2.83Å; R13-K15 VanDerWaalsContact C-N 3.33Å
16	R	30.3	Very low	29.4	Very low	211 Å²	211	136.1 Å²	136.1	80%	0.796	66%	0.66	S	S	*	*	S	Bend	trans	-86.7	119.8	167.5	-72.2	-170.8	-176.4	-167.2	0.5	108.4	M18	R16-M18 VanDerWaalsContact C-N 3.33Å; R16-M18 PolarHBondContact O-N 3.04Å
17	I	25.8	Very low	29.7	Very low	146 Å²	146	132.2 Å²	132.2	75%	0.749	64%	0.644	S	S	*	*			trans	-59	101.7	167	-61.4	172.7	0	0	0	106.2	W19	I17-W19 PolarHBondContact O-N 2.77Å
18	M	29.1	Very low	29.8	Very low	149 Å²	149	131.8 Å²	131.8	73%	0.734	65%	0.649	S	S	*	*			trans	-74.3	111.5	173.5	-68.5	-72.2	-69.9	0	0	106.6	R16 Q20	R16-M18 VanDerWaalsContact C-N 3.33Å; R16-M18 PolarHBondContact O-N 3.04Å; M18-Q20 PolarHBondContact O-N 3.35Å; M18-Q20 VanDerWaalsContact O-N 3.1Å
19	W	32.1	Very low	30	Very low	172 Å²	172	130.9 Å²	130.9	65%	0.652	65%	0.653	S	S	*	*			trans	-58.4	114.2	178.4	-61.1	89.3	0	0	0	109.1	I17	I17-W19 PolarHBondContact O-N 2.77Å
20	Q	31.7	Very low	30	Very low	127 Å²	127	132.9 Å²	132.9	59%	0.593	66%	0.661	S	S	*	*			trans	-76.2	138.2	179.9	-68.6	174.2	-9.2	0	0	109.6	M18 D22 C23	M18-Q20 PolarHBondContact O-N 3.35Å; M18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-D22 PolarHBondContact O-N 2.98Å; Q20-D22 VanDerWaalsContact O-N 3.16Å; Q20-C23 PolarHBondContact O-N 3.22Å; Q20-C23 VanDerWaalsContact O-N 3.09Å
21	D	35.3	Very low	29.8	Very low	129 Å²	129	131.1 Å²	131.1	69%	0.69	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-58	-26.5	175.1	-71.6	-38.4	0	0	0	112.3	C23 Y24	D21-C23 VanDerWaalsContact C-N 3.28Å; D21-C23 PolarHBondContact O-N 3.32Å; D21-Y24 PolarHBondContact O-N 3.05Å
22	D	33.7	Very low	29.7	Very low	152 Å²	152	130 Å²	130	81%	0.813	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-76.6	-6.5	179.2	-67.1	-30.1	0	0	0	114.2	Q20	Q20-D22 PolarHBondContact O-N 2.98Å; Q20-D22 VanDerWaalsContact O-N 3.16Å
23	C	30.5	Very low	29.4	Very low	73 Å²	73	131.7 Å²	131.7	49%	0.493	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-90.2	-5.3	175.6	-70.5	0	0	0	0	113.6	Q20 D21 L25	Q20-C23 PolarHBondContact O-N 3.22Å; Q20-C23 VanDerWaalsContact O-N 3.09Å; D21-C23 VanDerWaalsContact C-N 3.28Å; D21-C23 PolarHBondContact O-N 3.32Å; C23-L25 PolarHBondContact O-N 3.37Å
24	Y	39.1	Very low	29	Very low	69 Å²	69	127 Å²	127	27%	0.271	69%	0.687	S	S	.	*			trans	-90.5	80.6	177.2	-66.3	-83.3	0	0	0	110.2	D21 D26 R196 L207 T208	D21-Y24 PolarHBondContact O-N 3.05Å; Y24-D26 PolarHBondContact O-N 2.94Å; Y24-D26 VanDerWaalsContact O-N 3.14Å; Y24-R196 VanDerWaalsContact CD1-NH1 3.28Å; Y24-L207 HydrophobicContact CD1-CB 4.36Å; Y24-L207 HydrophobicContact CE1-CB 3.95Å; Y24-T208 HydrophobicContact CD1-CG2 3.24Å; Y24-T208 HydrophobicContact CE1-CG2 3.43Å; Y24-T208 VanDerWaalsContact CE1-CG2 3.43Å; Y24-T208 HydrophobicContact CG-CG2 4.05Å
25	L	35.1	Very low	28.8	Very low	124 Å²	124	125.6 Å²	125.6	65%	0.649	68%	0.682	S	S	*	*			trans	-66.2	108.1	156.5	-79.5	158.6	0	0	0	106.8	C23 L27	C23-L25 PolarHBondContact O-N 3.37Å; L25-L27 PolarHBondContact O-N 3.27Å
26	D	32.3	Very low	28.8	Very low	115 Å²	115	122.6 Å²	122.6	62%	0.615	69%	0.687	S	S	*	*			trans	-50.6	111.9	169	-91.3	-31.7	0	0	0	107.8	Y24 Q28 R196	Y24-D26 PolarHBondContact O-N 2.94Å; Y24-D26 VanDerWaalsContact O-N 3.14Å; D26-Q28 VanDerWaalsContact C-N 3.27Å; D26-Q28 PolarHBondContact O-N 2.92Å; D26-R196 IonicContact OD1-NH2 3.8Å
27	L	32.9	Very low	28.7	Very low	78 Å²	78	121.1 Å²	121.1	41%	0.408	69%	0.689	S	S	.	*			trans	-63.4	99.9	164.5	-77.8	163.8	0	0	0	105.2	L25 S29 R209	L25-L27 PolarHBondContact O-N 3.27Å; L27-S29 PolarHBondContact O-N 2.88Å; L27-S29 VanDerWaalsContact O-N 3.1Å; L27-R209 HydrophobicContact CD2-CG 3.93Å; L27-R209 HydrophobicContact CG-CG 4.43Å
28	Q	27.4	Very low	28.7	Very low	179 Å²	179	120.2 Å²	120.2	84%	0.836	69%	0.69	S	S	*	*			trans	-51.7	120.3	165.2	-74.6	-175.1	-15.9	0	0	106	D26 T30	D26-Q28 VanDerWaalsContact C-N 3.27Å; D26-Q28 PolarHBondContact O-N 2.92Å; Q28-T30 PolarHBondContact O-N 3.04Å
29	S	29.3	Very low	28.9	Very low	107 Å²	107	122.3 Å²	122.3	75%	0.748	70%	0.698	S	S	*	*			trans	-52.7	108.4	173.2	50.4	0	0	0	0	107.2	L27 S31	L27-S29 PolarHBondContact O-N 2.88Å; L27-S29 VanDerWaalsContact O-N 3.1Å; S29-S31 PolarHBondContact O-N 3.49Å
30	T	24.1	Very low	28.7	Very low	130 Å²	130	120.8 Å²	120.8	80%	0.798	71%	0.708	S	S	*	*			trans	-63.3	97.4	163.1	37.5	0	0	0	0	105.6	Q28 C32	Q28-T30 PolarHBondContact O-N 3.04Å; T30-C32 VanDerWaalsContact C-N 3.3Å; T30-C32 PolarHBondContact O-N 3.06Å
31	S	23	Very low	29.2	Very low	99 Å²	99	123.4 Å²	123.4	69%	0.692	72%	0.72	S	S	*	*			trans	-60.6	98.7	165.9	54.8	0	0	0	0	106.7	S29 C33	S29-S31 PolarHBondContact O-N 3.49Å; S31-C33 PolarHBondContact O-N 2.93Å
32	C	21.8	Very low	29.4	Very low	124 Å²	124	125.5 Å²	125.5	84%	0.838	73%	0.726	S	S	*	*			trans	-61.3	113.2	162	-90.9	0	0	0	0	106.5	T30 A34	T30-C32 VanDerWaalsContact C-N 3.3Å; T30-C32 PolarHBondContact O-N 3.06Å; C32-A34 PolarHBondContact O-N 2.77Å
33	C	21.5	Very low	30.2	Very low	116 Å²	116	123.8 Å²	123.8	78%	0.784	72%	0.716	S	S	*	*			trans	-52.9	121.3	174.2	-73.6	0	0	0	0	108.6	S31 A35	S31-C33 PolarHBondContact O-N 2.93Å; C33-A35 VanDerWaalsContact C-N 3.26Å; C33-A35 PolarHBondContact O-N 2.93Å
34	A	23.2	Very low	31.9	Very low	104 Å²	104	126.8 Å²	126.8	86%	0.86	72%	0.723	S	S	*	*			trans	-64	95.1	161.5	0	0	0	0	0	107.1	C32 A36	C32-A34 PolarHBondContact O-N 2.77Å; A34-A36 PolarHBondContact O-N 3.01Å
35	A	22.6	Very low	33.7	Very low	72 Å²	72	124.6 Å²	124.6	60%	0.595	71%	0.714	S	S	*	*			trans	-69.7	115.9	170.3	0	0	0	0	0	107.7	C33 H37	C33-A35 VanDerWaalsContact C-N 3.26Å; C33-A35 PolarHBondContact O-N 2.93Å; A35-H37 PolarHBondContact O-N 3.27Å
36	A	24.8	Very low	35.6	Very low	99 Å²	99	119.1 Å²	119.1	82%	0.818	69%	0.685	S	S	*	*			trans	-62.3	113.7	168.2	0	0	0	0	0	108.5	A34 T38	A34-A36 PolarHBondContact O-N 3.01Å; A36-T38 PolarHBondContact O-N 3.05Å
37	H	27.5	Very low	37.5	Very low	180 Å²	180	120.1 Å²	120.1	83%	0.833	69%	0.686	S	S	*	*			trans	-85.4	106	171.8	-79.7	-63.9	0	0	0	109.6	A35	A35-H37 PolarHBondContact O-N 3.27Å
38	T	25.1	Very low	39.5	Very low	126 Å²	126	122.2 Å²	122.2	77%	0.773	69%	0.692	S	S	*	*			trans	-68.9	132.9	158	29.4	0	0	0	0	110.1	A36 T40	A36-T38 PolarHBondContact O-N 3.05Å; T38-T40 PolarHBondContact O-N 3.21Å
39	E	33.7	Very low	41.9	Very low	194 Å²	194	114.3 Å²	114.3	91%	0.907	66%	0.655	S	S	*	*			trans	-52.6	124.5	176.5	-66.8	172.1	144.5	0	0	112.4
40	T	28.8	Very low	44.2	Very low	139 Å²	139	113.5 Å²	113.5	85%	0.853	64%	0.638	S	S	*	*			trans	-146.5	117.4	155.1	10.2	0	0	0	0	108.2	T38	T38-T40 PolarHBondContact O-N 3.21Å
41	Q	42.5	Very low	46.4	Very low	182 Å²	182	112.8 Å²	112.8	85%	0.85	63%	0.629	S	S	*	*			trans	-76.7	144.3	-173.7	-73.6	171.5	-25.5	0	0	111.5
42	Q	39.2	Very low	49	Very low	174 Å²	174	108.6 Å²	108.6	81%	0.813	60%	0.599	S	S	*	*	S	Bend	trans	88.1	59.9	167.4	-61.6	-175.6	-19.9	0	0	119.6
43	L	48.8	Very low	51.6	Low	115 Å²	115	102.9 Å²	102.9	60%	0.602	56%	0.56	S	S	*	*			trans	-143.5	44.7	158.9	-121.5	127.1	0	0	0	112.1
44	H	66.4	Low	54.1	Low	137 Å²	137	98.9 Å²	98.9	63%	0.634	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn		-99.2	-17.4	-126	-135.3	-37.1	0	0	0	118.7	K48	H44-K48 WeakPolarHBondContact O-CB 3.08Å
45	W	77.5	Confident	56.4	Low	23 Å²	23	96.1 Å²	96.1	9%	0.087	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-54	-171	-167	95.6	0	0	0	114.8	Q47 K48 H49 L53 L111 Q112 I115 L127	W45-Q47 VanDerWaalsContact C-N 3.34Å; W45-Q47 PolarHBondContact O-N 2.98Å; W45-K48 WeakPolarHBondContact O-CB 3.45Å; W45-K48 PolarHBondContact O-N 3.2Å; W45-K48 VanDerWaalsContact O-N 3.1Å; W45-H49 AromaticContact CD1-CE1 3.74Å; W45-H49 AromaticContact CD1-ND1 3.78Å; W45-H49 AromaticContact CD2-ND1 3.7Å; W45-H49 AromaticContact CE2-CE1 3.78Å; W45-H49 AromaticContact CE2-ND1 3.49Å; W45-H49 AromaticContact CG-ND1 3.87Å; W45-H49 HydrophobicContact CH2-CB 4.27Å; W45-H49 HydrophobicContact CZ2-CB 4.39Å; W45-H49 AromaticContact CZ2-ND1 4Å; W45-H49 HydrophobicContact CZ3-CB 4.4Å; W45-H49 AromaticContact NE1-CE1 3.42Å; W45-H49 PolarHBondContact NE1-CE1 2.84Å; W45-H49 AromaticContact NE1-ND1 3.57Å; W45-H49 PolarHBondContact O-N 2.64Å; W45-H49 PolarHBondContact O-ND1 3.2Å; W45-H49 VanDerWaalsContact O-ND1 3.09Å; W45-L53 HydrophobicContact CZ3-CD1 4.22Å; W45-L111 HydrophobicContact CZ3-CG 4.48Å; W45-Q112 HydrophobicContact CD2-CB 3.79Å; W45-Q112 HydrophobicContact CD2-CG 3.86Å; W45-Q112 HydrophobicContact CE3-CB 3.97Å; W45-Q112 HydrophobicContact CG-CB 4.14Å; W45-Q112 HydrophobicContact CG-CG 3.95Å; W45-Q112 HydrophobicContact CZ2-CB 4.42Å; W45-Q112 HydrophobicContact CZ2-CG 4.25Å; W45-Q112 HydrophobicContact CZ3-CB 4.4Å; W45-I115 HydrophobicContact CH2-CB 4.19Å; W45-I115 HydrophobicContact CH2-CD1 3.56Å; W45-I115 HydrophobicContact CH2-CG1 4.43Å; W45-I115 HydrophobicContact CH2-CG2 4.22Å; W45-I115 HydrophobicContact CZ2-CG2 4.36Å; W45-I115 HydrophobicContact CZ3-CD1 4.1Å; W45-L127 HydrophobicContact CZ2-CD2 4.04Å
46	I	75	Confident	58.8	Low	8 Å²	8	93.2 Å²	93.2	4%	0.041	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-42.4	-179.7	-70.1	178	0	0	0	110.9	K48 H49 K50 T97 A100 S108 L111	I46-K48 PolarHBondContact O-N 3.03Å; I46-H49 CarbonylContact O-C 3.6Å; I46-H49 PolarHBondContact O-N 2.84Å; I46-K50 WeakPolarHBondContact O-CA 3.27Å; I46-K50 VanDerWaalsContact O-CB 3.32Å; I46-K50 WeakPolarHBondContact O-CB 3.5Å; I46-K50 PolarHBondContact O-N 3.45Å; I46-T97 HydrophobicContact CG2-CG2 3.94Å; I46-A100 HydrophobicContact CD1-CB 3.6Å; I46-S108 WeakPolarHBondContact CG1-OG 3.25Å; I46-L111 HydrophobicContact CD1-CD2 3.81Å; I46-L111 HydrophobicContact CG1-CD2 4.05Å
47	Q	72.1	Confident	61.4	Low	137 Å²	137	88.8 Å²	88.8	64%	0.64	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.7	176.6	-78.5	-175.6	-12.4	0	0	112.5	W45	W45-Q47 VanDerWaalsContact C-N 3.34Å; W45-Q47 PolarHBondContact O-N 2.98Å
48	K	74.4	Confident	63.8	Low	122 Å²	122	82.1 Å²	82.1	53%	0.53	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-37.6	177.6	-178.2	-175.5	172.6	-165.9	0	112.5	H44 W45 I46 Q52	H44-K48 WeakPolarHBondContact O-CB 3.08Å; W45-K48 WeakPolarHBondContact O-CB 3.45Å; W45-K48 PolarHBondContact O-N 3.2Å; W45-K48 VanDerWaalsContact O-N 3.1Å; I46-K48 PolarHBondContact O-N 3.03Å; K48-Q52 PolarHBondContact O-OE1 3.3Å
49	H	78.1	Confident	66.4	Low	13 Å²	13	81.6 Å²	81.6	6%	0.06	40%	0.404	C	S	.	.	S	Bend	trans	-101.2	11.7	-176.5	-61.1	85	0	0	0	113.7	W45 I46 D51 Q52 L53 I126	W45-H49 AromaticContact CD1-CE1 3.74Å; W45-H49 AromaticContact CD1-ND1 3.78Å; W45-H49 AromaticContact CD2-ND1 3.7Å; W45-H49 AromaticContact CE2-CE1 3.78Å; W45-H49 AromaticContact CE2-ND1 3.49Å; W45-H49 AromaticContact CG-ND1 3.87Å; W45-H49 HydrophobicContact CH2-CB 4.27Å; W45-H49 HydrophobicContact CZ2-CB 4.39Å; W45-H49 AromaticContact CZ2-ND1 4Å; W45-H49 HydrophobicContact CZ3-CB 4.4Å; W45-H49 AromaticContact NE1-CE1 3.42Å; W45-H49 PolarHBondContact NE1-CE1 2.84Å; W45-H49 AromaticContact NE1-ND1 3.57Å; W45-H49 PolarHBondContact O-N 2.64Å; W45-H49 PolarHBondContact O-ND1 3.2Å; W45-H49 VanDerWaalsContact O-ND1 3.09Å; I46-H49 CarbonylContact O-C 3.6Å; I46-H49 PolarHBondContact O-N 2.84Å; H49-D51 PolarHBondContact O-N 3.13Å; H49-Q52 PolarHBondContact O-N 3.04Å; H49-Q52 PolarHBondContact O-OE1 3.18Å; H49-Q52 VanDerWaalsContact O-OE1 3.13Å; H49-L53 WeakPolarHBondContact O-CB 3.49Å; H49-L53 VanDerWaalsContact O-CG 3.25Å; H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 2.95Å; H49-I126 HydrophobicContact CB-CG2 4.43Å
50	K	77.7	Confident	68.6	Low	90 Å²	90	76.1 Å²	76.1	39%	0.391	39%	0.387	S	S	.	.	H	α-helix	trans	-60.4	-46	-172.6	-170.4	-178.6	176.7	-174.7	0	111.9	I46 Q52 L53 L54	I46-K50 WeakPolarHBondContact O-CA 3.27Å; I46-K50 VanDerWaalsContact O-CB 3.32Å; I46-K50 WeakPolarHBondContact O-CB 3.5Å; I46-K50 PolarHBondContact O-N 3.45Å; K50-Q52 VanDerWaalsContact C-N 3.31Å; K50-Q52 PolarHBondContact O-N 2.69Å; K50-L53 PolarHBondContact O-N 3.13Å; K50-L54 HydrophobicContact CG-CD1 4.09Å; K50-L54 WeakPolarHBondContact O-CB 3.47Å; K50-L54 VanDerWaalsContact O-CG 3.29Å; K50-L54 WeakPolarHBondContact O-CG 3.42Å; K50-L54 PolarHBondContact O-N 3.46Å
51	D	71.3	Confident	71.2	Confident	115 Å²	115	69.6 Å²	69.6	62%	0.615	35%	0.347	S	S	*	.	H	α-helix	trans	-68.3	-34.7	-177.8	-64.7	-28.4	0	0	0	111.1	H49 L54 S55	H49-D51 PolarHBondContact O-N 3.13Å; D51-L54 PolarHBondContact O-N 2.89Å; D51-S55 WeakPolarHBondContact O-CB 3.49Å; D51-S55 PolarHBondContact O-N 3.28Å; D51-S55 PolarHBondContact O-OG 3.42Å
52	Q	76.3	Confident	73.2	Confident	11 Å²	11	61.1 Å²	61.1	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-70.7	-40.6	176.9	-58.7	83.8	-18	0	0	110.8	K48 H49 K50 S55 F56 I126 Y129 D130	K48-Q52 PolarHBondContact O-OE1 3.3Å; H49-Q52 PolarHBondContact O-N 3.04Å; H49-Q52 PolarHBondContact O-OE1 3.18Å; H49-Q52 VanDerWaalsContact O-OE1 3.13Å; K50-Q52 VanDerWaalsContact C-N 3.31Å; K50-Q52 PolarHBondContact O-N 2.69Å; Q52-S55 PolarHBondContact O-N 2.91Å; Q52-F56 HydrophobicContact CB-CD2 3.94Å; Q52-F56 HydrophobicContact CB-CE2 4.02Å; Q52-F56 HydrophobicContact CG-CE2 4.24Å; Q52-F56 WeakPolarHBondContact O-CB 3.4Å; Q52-F56 WeakPolarHBondContact O-CD2 3.34Å; Q52-F56 PolarHBondContact O-N 3.23Å; Q52-I126 HydrophobicContact CB-CG2 4.21Å; Q52-Y129 HydrophobicContact CG-CD1 3.84Å; Q52-Y129 HydrophobicContact CG-CG 4.4Å; Q52-D130 PolarHBondContact NE2-OD1 2.67Å; Q52-D130 PolarHBondContact NE2-OD2 3.5Å; Q52-D130 VanDerWaalsContact NE2-OD2 3.13Å
53	L	77.3	Confident	75.3	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-45.9	172.9	-72.9	165.2	0	0	0	110.7	W45 H49 K50 S55 V57 V93 T97 L111 I115 I126	W45-L53 HydrophobicContact CZ3-CD1 4.22Å; H49-L53 WeakPolarHBondContact O-CB 3.49Å; H49-L53 VanDerWaalsContact O-CG 3.25Å; H49-L53 WeakPolarHBondContact O-CG 3.4Å; H49-L53 PolarHBondContact O-N 2.95Å; K50-L53 PolarHBondContact O-N 3.13Å; L53-S55 VanDerWaalsContact C-N 3.28Å; L53-S55 PolarHBondContact O-N 2.91Å; L53-V57 HydrophobicContact CB-CG2 4.48Å; L53-V57 HydrophobicContact CD2-CG2 4.06Å; L53-V57 VanDerWaalsContact O-CB 3.27Å; L53-V57 WeakPolarHBondContact O-CB 3.43Å; L53-V57 WeakPolarHBondContact O-CG2 3.43Å; L53-V57 PolarHBondContact O-N 3.48Å; L53-V93 HydrophobicContact CB-CG1 4.24Å; L53-T97 HydrophobicContact CB-CG2 4.33Å; L53-T97 HydrophobicContact CD1-CG2 3.62Å; L53-L111 HydrophobicContact CD1-CD2 4.38Å; L53-I115 HydrophobicContact CD2-CD1 3.57Å; L53-I126 HydrophobicContact CD2-CD1 4.15Å
54	L	74.4	Confident	77	Confident	33 Å²	33	56.4 Å²	56.4	17%	0.173	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-30.5	177.9	-71.9	167.6	0	0	0	113.5	K50 D51 V93 N94	K50-L54 HydrophobicContact CG-CD1 4.09Å; K50-L54 WeakPolarHBondContact O-CB 3.47Å; K50-L54 VanDerWaalsContact O-CG 3.29Å; K50-L54 WeakPolarHBondContact O-CG 3.42Å; K50-L54 PolarHBondContact O-N 3.46Å; D51-L54 PolarHBondContact O-N 2.89Å; L54-V93 HydrophobicContact CD2-CB 4.06Å; L54-V93 HydrophobicContact CD2-CG1 3.83Å; L54-V93 HydrophobicContact CG-CG1 4.35Å; L54-N94 WeakPolarHBondContact CD1-OD1 3.47Å; L54-N94 HydrophobicContact CD2-CB 4.17Å; L54-N94 WeakPolarHBondContact CD2-ND2 3.18Å; L54-N94 VanDerWaalsContact CD2-OD1 3.29Å; L54-N94 WeakPolarHBondContact CD2-OD1 3.32Å
55	S	70.3	Confident	77.8	Confident	45 Å²	45	50.1 Å²	50.1	32%	0.315	25%	0.253	S	S	.	.	H	α-helix	trans	-84.8	-43.9	-177.5	-58.5	0	0	0	0	112.3	D51 Q52 L53 A287	D51-S55 WeakPolarHBondContact O-CB 3.49Å; D51-S55 PolarHBondContact O-N 3.28Å; D51-S55 PolarHBondContact O-OG 3.42Å; Q52-S55 PolarHBondContact O-N 2.91Å; L53-S55 VanDerWaalsContact C-N 3.28Å; L53-S55 PolarHBondContact O-N 2.91Å; S55-A287 WeakPolarHBondContact O-CB 3.41Å
56	F	74.6	Confident	78.2	Confident	11 Å²	11	49.1 Å²	49.1	5%	0.048	25%	0.25	C	C	.	.	H	α-helix	trans	-103.2	-18.6	-165.5	-57.4	-48.8	0	0	0	115.5	Q52 S58 V122 L125 I126 Y129 A287 C288	Q52-F56 HydrophobicContact CB-CD2 3.94Å; Q52-F56 HydrophobicContact CB-CE2 4.02Å; Q52-F56 HydrophobicContact CG-CE2 4.24Å; Q52-F56 WeakPolarHBondContact O-CB 3.4Å; Q52-F56 WeakPolarHBondContact O-CD2 3.34Å; Q52-F56 PolarHBondContact O-N 3.23Å; F56-S58 PolarHBondContact O-N 3.37Å; F56-V122 HydrophobicContact CB-CG1 4.22Å; F56-V122 WeakPolarHBondContact O-CG1 3.49Å; F56-L125 HydrophobicContact CD2-CB 4.44Å; F56-L125 HydrophobicContact CG-CB 4.41Å; F56-I126 HydrophobicContact CB-CG1 3.96Å; F56-I126 HydrophobicContact CD2-CG1 4.08Å; F56-Y129 HydrophobicContact CE2-CD1 4.35Å; F56-Y129 AromaticContact CE2-CD2 3.67Å; F56-Y129 HydrophobicContact CE2-CD2 3.67Å; F56-Y129 HydrophobicContact CE2-CE2 4.22Å; F56-Y129 AromaticContact CE2-CG 3.75Å; F56-Y129 HydrophobicContact CE2-CG 3.75Å; F56-Y129 AromaticContact CZ-CD2 3.44Å; F56-Y129 HydrophobicContact CZ-CD2 3.44Å; F56-Y129 VanDerWaalsContact CZ-CD2 3.44Å; F56-Y129 AromaticContact CZ-CE2 3.64Å; F56-Y129 HydrophobicContact CZ-CE2 3.64Å; F56-Y129 HydrophobicContact CZ-CG 4.01Å; F56-A287 HydrophobicContact CD1-CB 3.74Å; F56-A287 HydrophobicContact CE1-CB 4.08Å; F56-C288 WeakPolarHBondContact CE1-SG 3.25Å
57	V	79.3	Confident	78.6	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.042	27%	0.268	C	S	.	.			trans	-68.8	117.2	-177.7	174.5	0	0	0	0	109.9	L53 F61 L62 I65 L89 V93 I126	L53-V57 HydrophobicContact CB-CG2 4.48Å; L53-V57 HydrophobicContact CD2-CG2 4.06Å; L53-V57 VanDerWaalsContact O-CB 3.27Å; L53-V57 WeakPolarHBondContact O-CB 3.43Å; L53-V57 WeakPolarHBondContact O-CG2 3.43Å; L53-V57 PolarHBondContact O-N 3.48Å; V57-F61 HydrophobicContact CG1-CD1 4.44Å; V57-F61 HydrophobicContact CG2-CD1 4.32Å; V57-L62 HydrophobicContact CG1-CB 3.85Å; V57-L62 HydrophobicContact CG1-CD1 3.99Å; V57-I65 HydrophobicContact CG1-CD1 4.12Å; V57-I65 HydrophobicContact CG2-CD1 4.15Å; V57-L89 WeakPolarHBondContact O-CD2 3.16Å; V57-V93 HydrophobicContact CB-CG2 3.97Å; V57-V93 HydrophobicContact CG1-CG2 3.83Å; V57-I126 HydrophobicContact CG2-CD1 4.14Å
58	S	78	Confident	79.2	Confident	39 Å²	39	49.4 Å²	49.4	27%	0.273	25%	0.25	S	S	.	.			trans	-85.2	165.6	174.3	70.7	0	0	0	0	111.7	F56 S60 F61 L62	F56-S58 PolarHBondContact O-N 3.37Å; S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 3Å; S58-S60 PolarHBondContact OG-OG 3.26Å; S58-F61 PolarHBondContact O-N 3.42Å; S58-F61 WeakPolarHBondContact OG-CB 3.33Å; S58-F61 PolarHBondContact OG-N 3.18Å; S58-L62 VanDerWaalsContact O-CB 3.27Å; S58-L62 WeakPolarHBondContact O-CB 3.48Å; S58-L62 PolarHBondContact O-N 3.14Å
59	H	79.2	Confident	79.6	Confident	116 Å²	116	43.7 Å²	43.7	54%	0.537	23%	0.226	S	C	.	.	H	α-helix	trans	-56.2	-38.9	174.3	-89.3	-69.1	0	0	0	113.2	E63 L89	H59-E63 PolarHBondContact O-N 3.35Å; H59-L89 HydrophobicContact CB-CD1 4.38Å; H59-L89 WeakPolarHBondContact ND1-CD1 3.35Å
60	S	80.1	Confident	79.8	Confident	79 Å²	79	48.1 Å²	48.1	55%	0.552	24%	0.242	S	C	*	.	H	α-helix	trans	-69.3	-43	178.4	59.1	0	0	0	0	111.6	S58 L62 E63 E64	S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 3Å; S58-S60 PolarHBondContact OG-OG 3.26Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact O-N 2.84Å; S60-E63 PolarHBondContact O-N 3.08Å; S60-E64 PolarHBondContact O-N 2.67Å
61	F	82.4	Confident	80	Confident	1 Å²	1	49 Å²	49	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-70.8	-31.3	179.2	-161.4	-117.5	0	0	0	111.8	V57 S58 E64 I65 F114 S120 V122 A123 I126	V57-F61 HydrophobicContact CG1-CD1 4.44Å; V57-F61 HydrophobicContact CG2-CD1 4.32Å; S58-F61 PolarHBondContact O-N 3.42Å; S58-F61 WeakPolarHBondContact OG-CB 3.33Å; S58-F61 PolarHBondContact OG-N 3.18Å; F61-E64 WeakPolarHBondContact CD2-OE2 3.26Å; F61-E64 PolarHBondContact O-N 3.36Å; F61-I65 HydrophobicContact CD1-CD1 3.84Å; F61-I65 HydrophobicContact CD1-CG1 4.46Å; F61-I65 HydrophobicContact CE1-CD1 3.93Å; F61-I65 HydrophobicContact CE1-CG1 4.4Å; F61-I65 VanDerWaalsContact O-CG1 3.28Å; F61-I65 WeakPolarHBondContact O-CG1 3.49Å; F61-I65 PolarHBondContact O-N 2.88Å; F61-F114 HydrophobicContact CE2-CE1 4.22Å; F61-F114 HydrophobicContact CZ-CE1 4.07Å; F61-S120 VanDerWaalsContact CE2-CB 3.49Å; F61-V122 HydrophobicContact CB-CG1 4.49Å; F61-V122 HydrophobicContact CD1-CB 4.07Å; F61-V122 HydrophobicContact CD1-CG1 3.49Å; F61-V122 VanDerWaalsContact CD1-CG1 3.49Å; F61-V122 HydrophobicContact CD2-CB 4.47Å; F61-V122 HydrophobicContact CE1-CB 4.32Å; F61-V122 HydrophobicContact CE1-CG1 3.83Å; F61-V122 HydrophobicContact CG-CB 4.16Å; F61-V122 HydrophobicContact CG-CG1 4Å; F61-A123 HydrophobicContact CE2-CB 4.38Å; F61-A123 HydrophobicContact CZ-CB 3.77Å; F61-I126 HydrophobicContact CE1-CD1 4.15Å
62	L	83.9	Confident	80.6	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-44.2	172.5	-173.2	66.6	0	0	0	112.1	V57 S58 S60 E64 I65 L66 L89 Q92 V93 I96	V57-L62 HydrophobicContact CG1-CB 3.85Å; V57-L62 HydrophobicContact CG1-CD1 3.99Å; S58-L62 VanDerWaalsContact O-CB 3.27Å; S58-L62 WeakPolarHBondContact O-CB 3.48Å; S58-L62 PolarHBondContact O-N 3.14Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact O-N 2.84Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 2.98Å; L62-I65 PolarHBondContact O-N 3.49Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CB 3.32Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 3.08Å; L62-L89 HydrophobicContact CB-CD1 4.37Å; L62-L89 HydrophobicContact CD2-CD1 3.58Å; L62-Q92 HydrophobicContact CD2-CB 3.79Å; L62-Q92 VanDerWaalsContact CD2-OE1 3.22Å; L62-V93 HydrophobicContact CD1-CG2 3.85Å; L62-I96 HydrophobicContact CD1-CD1 3.25Å; L62-I96 HydrophobicContact CG-CD1 4.25Å
63	E	83.8	Confident	80.6	Confident	97 Å²	97	53.7 Å²	53.7	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-40.2	175	-80.8	-78.9	169.1	0	0	111.3	H59 S60 L66 Q67 K84	H59-E63 PolarHBondContact O-N 3.35Å; S60-E63 PolarHBondContact O-N 3.08Å; E63-L66 PolarHBondContact O-N 3.25Å; E63-Q67 WeakPolarHBondContact O-CB 3.42Å; E63-Q67 PolarHBondContact O-N 3.44Å; E63-K84 WeakPolarHBondContact OE1-CE 3.28Å; E63-K84 IonicContact OE1-NZ 2.83Å; E63-K84 PolarHBondContact OE1-NZ 2.95Å; E63-K84 IonicContact OE2-NZ 2.77Å; E63-K84 PolarHBondContact OE2-NZ 3.43Å
64	E	84.8	Confident	80.7	Confident	94 Å²	94	54.4 Å²	54.4	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-43.5	174.6	-67	173.1	-162.3	0	0	112.2	S60 F61 L62 Q67 H68 F114	S60-E64 PolarHBondContact O-N 2.67Å; F61-E64 WeakPolarHBondContact CD2-OE2 3.26Å; F61-E64 PolarHBondContact O-N 3.36Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 2.98Å; E64-Q67 PolarHBondContact O-N 2.79Å; E64-H68 WeakPolarHBondContact O-CB 3.21Å; E64-H68 PolarHBondContact O-N 3.19Å; E64-F114 HydrophobicContact CB-CZ 3.93Å
65	I	84.3	Confident	81	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-48.4	174.7	-70.2	166.4	0	0	0	110.5	V57 F61 L62 Q67 H68 L69 I96 L111 F114	V57-I65 HydrophobicContact CG1-CD1 4.12Å; V57-I65 HydrophobicContact CG2-CD1 4.15Å; F61-I65 HydrophobicContact CD1-CD1 3.84Å; F61-I65 HydrophobicContact CD1-CG1 4.46Å; F61-I65 HydrophobicContact CE1-CD1 3.93Å; F61-I65 HydrophobicContact CE1-CG1 4.4Å; F61-I65 VanDerWaalsContact O-CG1 3.28Å; F61-I65 WeakPolarHBondContact O-CG1 3.49Å; F61-I65 PolarHBondContact O-N 2.88Å; L62-I65 PolarHBondContact O-N 3.49Å; I65-Q67 PolarHBondContact O-N 3.42Å; I65-H68 PolarHBondContact O-N 3.48Å; I65-L69 HydrophobicContact CG2-CD1 3.77Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CB 3.41Å; I65-L69 WeakPolarHBondContact O-CG 3.28Å; I65-L69 PolarHBondContact O-N 2.98Å; I65-I96 HydrophobicContact CG2-CG2 4.46Å; I65-L111 HydrophobicContact CG2-CD1 3.59Å; I65-F114 HydrophobicContact CB-CE1 4.39Å; I65-F114 HydrophobicContact CG1-CD1 3.84Å; I65-F114 HydrophobicContact CG1-CE1 3.53Å
66	L	84.7	Confident	81.6	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-45.2	-179.9	-75.7	175	0	0	0	111.5	L62 E63 H68 R70 L75 E80 I83 K84 I96	L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CB 3.32Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.43Å; L62-L66 PolarHBondContact O-N 3.08Å; E63-L66 PolarHBondContact O-N 3.25Å; L66-H68 PolarHBondContact O-N 3.05Å; L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.47Å; L66-L75 HydrophobicContact CD2-CD1 3.59Å; L66-E80 HydrophobicContact CD2-CG 4.43Å; L66-I83 HydrophobicContact CD1-CG2 4.4Å; L66-I83 HydrophobicContact CD2-CD1 4Å; L66-I83 HydrophobicContact CD2-CG2 4.1Å; L66-K84 HydrophobicContact CD1-CG 4.05Å; L66-I96 HydrophobicContact CD2-CD1 3.43Å; L66-I96 VanDerWaalsContact CD2-CD1 3.43Å; L66-I96 HydrophobicContact CD2-CG1 3.95Å; L66-I96 HydrophobicContact CG-CD1 3.85Å
67	Q	84	Confident	81.7	Confident	94 Å²	94	57.7 Å²	57.7	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-42.8	177.6	-173.7	63.4	49.9	0	0	111.4	E63 E64 I65 N71	E63-Q67 WeakPolarHBondContact O-CB 3.42Å; E63-Q67 PolarHBondContact O-N 3.44Å; E64-Q67 PolarHBondContact O-N 2.79Å; I65-Q67 PolarHBondContact O-N 3.42Å; Q67-N71 PolarHBondContact NE2-OD1 3.43Å; Q67-N71 VanDerWaalsContact NE2-OD1 3.13Å; Q67-N71 WeakPolarHBondContact O-CB 3.38Å; Q67-N71 PolarHBondContact O-N 3.11Å; Q67-N71 PolarHBondContact O-ND2 3.49Å; Q67-N71 PolarHBondContact O-OD1 3.21Å
68	H	84.4	Confident	81.7	Confident	56 Å²	56	60.4 Å²	60.4	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-53.5	177.2	-177.1	81.7	0	0	0	111.5	E64 I65 L66 R70 N71 V72 F114	E64-H68 WeakPolarHBondContact O-CB 3.21Å; E64-H68 PolarHBondContact O-N 3.19Å; I65-H68 PolarHBondContact O-N 3.48Å; L66-H68 PolarHBondContact O-N 3.05Å; H68-R70 PolarHBondContact O-N 2.93Å; H68-N71 WeakPolarHBondContact O-CA 3.39Å; H68-N71 WeakPolarHBondContact O-CB 3.44Å; H68-N71 PolarHBondContact O-N 2.85Å; H68-V72 WeakPolarHBondContact O-CG2 3.49Å; H68-V72 PolarHBondContact O-N 3.34Å; H68-F114 HydrophobicContact CB-CD2 3.57Å; H68-F114 HydrophobicContact CB-CE2 3.76Å; H68-F114 HydrophobicContact CB-CG 4.15Å; H68-F114 HydrophobicContact CB-CZ 4.49Å; H68-F114 AromaticContact CD2-CD2 3.69Å; H68-F114 AromaticContact CD2-CG 3.81Å; H68-F114 AromaticContact CE1-CD2 3.96Å; H68-F114 AromaticContact CG-CD2 3.28Å; H68-F114 AromaticContact CG-CE2 3.95Å; H68-F114 AromaticContact CG-CG 3.85Å; H68-F114 AromaticContact ND1-CD2 3.49Å; H68-F114 WeakPolarHBondContact ND1-CD2 3.26Å
69	L	82.4	Confident	81.9	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-31	-179.3	-70.1	179	0	0	0	112.8	I65 N73 V74 L75 I96 A110 L111	I65-L69 HydrophobicContact CG2-CD1 3.77Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CB 3.41Å; I65-L69 WeakPolarHBondContact O-CG 3.28Å; I65-L69 PolarHBondContact O-N 2.98Å; L69-N73 PolarHBondContact O-N 3.35Å; L69-V74 HydrophobicContact CB-CB 4.33Å; L69-V74 HydrophobicContact CD2-CB 4.17Å; L69-V74 HydrophobicContact CD2-CG1 4.12Å; L69-V74 HydrophobicContact CD2-CG2 4.4Å; L69-V74 WeakPolarHBondContact O-CB 3.36Å; L69-V74 PolarHBondContact O-N 3.19Å; L69-L75 HydrophobicContact CB-CD1 3.67Å; L69-L75 HydrophobicContact CB-CG 4.01Å; L69-L75 HydrophobicContact CD1-CD1 3.93Å; L69-L75 HydrophobicContact CD1-CG 4.45Å; L69-L75 HydrophobicContact CG-CD1 4.5Å; L69-L75 PolarHBondContact O-N 2.87Å; L69-I96 HydrophobicContact CD1-CG2 3.94Å; L69-A110 HydrophobicContact CD2-CB 4.34Å; L69-L111 HydrophobicContact CD1-CD1 4.25Å; L69-L111 HydrophobicContact CD2-CB 4.34Å
70	R	82.7	Confident	82	Confident	107 Å²	107	56 Å²	56	40%	0.404	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-44.6	170.4	-168.3	-169.7	-172.6	154.4	-8.9	111.9	L66 H68 V72 N73 E80	L66-R70 WeakPolarHBondContact O-CB 3.36Å; L66-R70 PolarHBondContact O-N 3.47Å; H68-R70 PolarHBondContact O-N 2.93Å; R70-V72 VanDerWaalsContact C-N 3.27Å; R70-V72 PolarHBondContact O-N 3.33Å; R70-N73 PolarHBondContact O-N 2.79Å; R70-E80 WeakPolarHBondContact CD-OE2 3.5Å; R70-E80 IonicContact CZ-OE2 3.71Å; R70-E80 IonicContact NE-OE2 3.47Å; R70-E80 PolarHBondContact NE-OE2 2.75Å; R70-E80 IonicContact NH1-OE1 2.84Å; R70-E80 IonicContact NH1-OE2 3.31Å; R70-E80 PolarHBondContact NH1-OE2 2.92Å
71	N	82.5	Confident	82.1	Confident	109 Å²	109	56.6 Å²	56.6	58%	0.583	31%	0.306	S	S	*	.	H	α-helix	trans	-63.2	-31.7	179.8	-69.8	-12.3	0	0	0	112.6	Q67 H68 N73	Q67-N71 PolarHBondContact NE2-OD1 3.43Å; Q67-N71 VanDerWaalsContact NE2-OD1 3.13Å; Q67-N71 WeakPolarHBondContact O-CB 3.38Å; Q67-N71 PolarHBondContact O-N 3.11Å; Q67-N71 PolarHBondContact O-ND2 3.49Å; Q67-N71 PolarHBondContact O-OD1 3.21Å; H68-N71 WeakPolarHBondContact O-CA 3.39Å; H68-N71 WeakPolarHBondContact O-CB 3.44Å; H68-N71 PolarHBondContact O-N 2.85Å; N71-N73 VanDerWaalsContact C-N 3.3Å
72	V	82.4	Confident	82.1	Confident	74 Å²	74	59.2 Å²	59.2	45%	0.448	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.8	175.3	-141.6	0	0	0	0	113.1	H68 R70 V74	H68-V72 WeakPolarHBondContact O-CG2 3.49Å; H68-V72 PolarHBondContact O-N 3.34Å; R70-V72 VanDerWaalsContact C-N 3.27Å; R70-V72 PolarHBondContact O-N 3.33Å; V72-V74 HydrophobicContact CB-CG2 4.39Å; V72-V74 PolarHBondContact O-N 3.38Å
73	N	77.6	Confident	82	Confident	149 Å²	149	59 Å²	59	80%	0.797	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	24	-178.6	-62.3	-51.9	0	0	0	115.5	L69 R70 N71	L69-N73 PolarHBondContact O-N 3.35Å; R70-N73 PolarHBondContact O-N 2.79Å; N71-N73 VanDerWaalsContact C-N 3.3Å
74	V	77.9	Confident	81.9	Confident	18 Å²	18	58.2 Å²	58.2	11%	0.109	32%	0.318	C	S	.	.	S	Bend	trans	-78.2	-37.2	175.7	175.3	0	0	0	0	111.2	L69 V72 K103 S107 A110	L69-V74 HydrophobicContact CB-CB 4.33Å; L69-V74 HydrophobicContact CD2-CB 4.17Å; L69-V74 HydrophobicContact CD2-CG1 4.12Å; L69-V74 HydrophobicContact CD2-CG2 4.4Å; L69-V74 WeakPolarHBondContact O-CB 3.36Å; L69-V74 PolarHBondContact O-N 3.19Å; V72-V74 HydrophobicContact CB-CG2 4.39Å; V72-V74 PolarHBondContact O-N 3.38Å; V74-K103 PolarHBondContact O-NZ 2.66Å; V74-S107 VanDerWaalsContact CG1-CB 3.45Å; V74-A110 HydrophobicContact CG2-CB 3.95Å
75	L	82	Confident	81.8	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.047	33%	0.33	C	S	.	.	S	Bend	trans	-106.5	132.2	176.3	-73.8	171.3	0	0	0	111.7	L66 L69 E79 I83 I99	L66-L75 HydrophobicContact CD2-CD1 3.59Å; L69-L75 HydrophobicContact CB-CD1 3.67Å; L69-L75 HydrophobicContact CB-CG 4.01Å; L69-L75 HydrophobicContact CD1-CD1 3.93Å; L69-L75 HydrophobicContact CD1-CG 4.45Å; L69-L75 HydrophobicContact CG-CD1 4.5Å; L69-L75 PolarHBondContact O-N 2.87Å; L75-E79 HydrophobicContact CD2-CB 3.97Å; L75-I83 HydrophobicContact CD1-CD1 4.14Å; L75-I83 HydrophobicContact CD2-CD1 3.68Å; L75-I99 HydrophobicContact CD2-CG2 3.87Å
76	T	82.3	Confident	81.2	Confident	71 Å²	71	58.4 Å²	58.4	44%	0.436	34%	0.336	S	S	.	.			trans	-79.6	159.4	167.3	62.9	0	0	0	0	110.9	A78 E79 E80	T76-A78 PolarHBondContact O-N 3.33Å; T76-E79 WeakPolarHBondContact CB-OE2 3.46Å; T76-E79 WeakPolarHBondContact CG2-OE2 3.38Å; T76-E79 PolarHBondContact N-OE2 2.86Å; T76-E79 PolarHBondContact O-N 3.42Å; T76-E79 VanDerWaalsContact O-N 3.13Å; T76-E79 VanDerWaalsContact OG1-CD 3.26Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.24Å; T76-E79 PolarHBondContact OG1-N 3.3Å; T76-E79 PolarHBondContact OG1-OE2 2.74Å; T76-E80 PolarHBondContact O-N 3.08Å
77	S	77.3	Confident	80.9	Confident	79 Å²	79	61.4 Å²	61.4	55%	0.552	37%	0.368	S	S	*	.	H	α-helix	trans	-61.7	-27.9	178.9	76.5	0	0	0	0	113	T81	S77-T81 PolarHBondContact O-N 3.27Å; S77-T81 PolarHBondContact O-OG1 2.92Å
78	A	79.4	Confident	80.8	Confident	64 Å²	64	63.3 Å²	63.3	53%	0.529	38%	0.377	S	S	.	.	H	α-helix	trans	-73.1	-39.2	176.4	0	0	0	0	0	112.2	T76 T81 S82	T76-A78 PolarHBondContact O-N 3.33Å; A78-T81 WeakPolarHBondContact CA-OG1 3.38Å; A78-T81 PolarHBondContact O-OG1 2.92Å; A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.97Å
79	E	81.6	Confident	80.5	Confident	46 Å²	46	62.7 Å²	62.7	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-68.8	-42	175.9	-72.1	162.9	144.5	0	0	111.4	L75 T76 T81 S82 I83 I99 K103	L75-E79 HydrophobicContact CD2-CB 3.97Å; T76-E79 WeakPolarHBondContact CB-OE2 3.46Å; T76-E79 WeakPolarHBondContact CG2-OE2 3.38Å; T76-E79 PolarHBondContact N-OE2 2.86Å; T76-E79 PolarHBondContact O-N 3.42Å; T76-E79 VanDerWaalsContact O-N 3.13Å; T76-E79 VanDerWaalsContact OG1-CD 3.26Å; T76-E79 VanDerWaalsContact OG1-CG 3.27Å; T76-E79 WeakPolarHBondContact OG1-CG 3.24Å; T76-E79 PolarHBondContact OG1-N 3.3Å; T76-E79 PolarHBondContact OG1-OE2 2.74Å; E79-T81 PolarHBondContact O-N 3.3Å; E79-S82 WeakPolarHBondContact O-CB 3.5Å; E79-S82 PolarHBondContact O-N 3.35Å; E79-I83 WeakPolarHBondContact O-CD1 3.42Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.32Å; E79-I83 PolarHBondContact O-N 3.43Å; E79-I99 HydrophobicContact CB-CD1 4.46Å; E79-K103 WeakPolarHBondContact OE1-CE 3.38Å; E79-K103 IonicContact OE1-NZ 2.76Å; E79-K103 PolarHBondContact OE1-NZ 2.95Å; E79-K103 IonicContact OE2-NZ 3.15Å; E79-K103 PolarHBondContact OE2-NZ 3.34Å
80	E	81.6	Confident	80.4	Confident	15 Å²	15	67.7 Å²	67.7	7%	0.07	40%	0.398	C	S	.	.	H	α-helix	trans	-60.8	-43.7	175.3	-171.8	-167	158.4	0	0	111.7	L66 R70 T76 S82 I83 K84	L66-E80 HydrophobicContact CD2-CG 4.43Å; R70-E80 WeakPolarHBondContact CD-OE2 3.5Å; R70-E80 IonicContact CZ-OE2 3.71Å; R70-E80 IonicContact NE-OE2 3.47Å; R70-E80 PolarHBondContact NE-OE2 2.75Å; R70-E80 IonicContact NH1-OE1 2.84Å; R70-E80 IonicContact NH1-OE2 3.31Å; R70-E80 PolarHBondContact NH1-OE2 2.92Å; T76-E80 PolarHBondContact O-N 3.08Å; E80-S82 VanDerWaalsContact C-N 3.32Å; E80-S82 PolarHBondContact O-N 3.33Å; E80-I83 PolarHBondContact O-N 3.46Å; E80-K84 WeakPolarHBondContact O-CG 3.26Å; E80-K84 PolarHBondContact O-N 2.73Å; E80-K84 WeakPolarHBondContact OE1-CE 3.31Å; E80-K84 IonicContact OE1-NZ 3.12Å
81	T	81.2	Confident	80.3	Confident	93 Å²	93	66.4 Å²	66.4	57%	0.571	40%	0.4	S	S	*	.	H	α-helix	trans	-65.6	-36.3	175.3	22.8	0	0	0	0	112	S77 A78 E79 A85	S77-T81 PolarHBondContact O-N 3.27Å; S77-T81 PolarHBondContact O-OG1 2.92Å; A78-T81 WeakPolarHBondContact CA-OG1 3.38Å; A78-T81 PolarHBondContact O-OG1 2.92Å; E79-T81 PolarHBondContact O-N 3.3Å; T81-A85 VanDerWaalsContact O-CB 3.24Å; T81-A85 WeakPolarHBondContact O-CB 3.44Å; T81-A85 PolarHBondContact O-N 3.33Å
82	S	82.8	Confident	80.4	Confident	55 Å²	55	62.3 Å²	62.3	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-65.7	-40.4	174.3	-172.6	0	0	0	0	112.5	A78 E79 E80 A85 A86 M95	A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 2.97Å; E79-S82 WeakPolarHBondContact O-CB 3.5Å; E79-S82 PolarHBondContact O-N 3.35Å; E80-S82 VanDerWaalsContact C-N 3.32Å; E80-S82 PolarHBondContact O-N 3.33Å; S82-A85 PolarHBondContact O-N 3.28Å; S82-A86 PolarHBondContact O-N 3.1Å; S82-A86 VanDerWaalsContact O-N 3.11Å; S82-M95 WeakPolarHBondContact OG-CE 3.33Å
83	I	83.1	Confident	80.4	Confident	0 Å²	0	59 Å²	59	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-46.3	176.7	-68.5	154.6	0	0	0	110.1	L66 L75 E79 E80 A85 A86 Q92 M95 I96 I99	L66-I83 HydrophobicContact CD1-CG2 4.4Å; L66-I83 HydrophobicContact CD2-CD1 4Å; L66-I83 HydrophobicContact CD2-CG2 4.1Å; L75-I83 HydrophobicContact CD1-CD1 4.14Å; L75-I83 HydrophobicContact CD2-CD1 3.68Å; E79-I83 WeakPolarHBondContact O-CD1 3.42Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.32Å; E79-I83 PolarHBondContact O-N 3.43Å; E80-I83 PolarHBondContact O-N 3.46Å; I83-A85 PolarHBondContact O-N 3.36Å; I83-A86 WeakPolarHBondContact O-CB 3.48Å; I83-A86 PolarHBondContact O-N 3.39Å; I83-Q92 HydrophobicContact CG2-CB 4.05Å; I83-Q92 WeakPolarHBondContact O-CG 3.32Å; I83-M95 HydrophobicContact CG1-CB 4.23Å; I83-M95 HydrophobicContact CG1-CG 4.08Å; I83-M95 HydrophobicContact CG1-SD 4.19Å; I83-I96 HydrophobicContact CB-CG1 4.47Å; I83-I96 HydrophobicContact CD1-CG1 3.64Å; I83-I96 HydrophobicContact CG1-CG1 4.06Å; I83-I96 HydrophobicContact CG2-CD1 3.9Å; I83-I96 HydrophobicContact CG2-CG1 3.64Å; I83-I99 HydrophobicContact CD1-CD1 3.77Å; I83-I99 HydrophobicContact CG1-CD1 3.9Å
84	K	81.9	Confident	80.7	Confident	81 Å²	81	54.7 Å²	54.7	35%	0.352	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-24.3	177.5	-68.8	-171.8	-176.6	-155	0	112.7	E63 L66 E80 Q92	E63-K84 WeakPolarHBondContact OE1-CE 3.28Å; E63-K84 IonicContact OE1-NZ 2.83Å; E63-K84 PolarHBondContact OE1-NZ 2.95Å; E63-K84 IonicContact OE2-NZ 2.77Å; E63-K84 PolarHBondContact OE2-NZ 3.43Å; L66-K84 HydrophobicContact CD1-CG 4.05Å; E80-K84 WeakPolarHBondContact O-CG 3.26Å; E80-K84 PolarHBondContact O-N 2.73Å; E80-K84 WeakPolarHBondContact OE1-CE 3.31Å; E80-K84 IonicContact OE1-NZ 3.12Å; K84-Q92 PolarHBondContact O-NE2 3.09Å
85	A	80.9	Confident	80.9	Confident	83 Å²	83	57 Å²	57	69%	0.686	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.7	173.6	0	0	0	0	0	113.9	T81 S82 I83	T81-A85 VanDerWaalsContact O-CB 3.24Å; T81-A85 WeakPolarHBondContact O-CB 3.44Å; T81-A85 PolarHBondContact O-N 3.33Å; S82-A85 PolarHBondContact O-N 3.28Å; I83-A85 PolarHBondContact O-N 3.36Å
86	A	73.1	Confident	81	Confident	19 Å²	19	56.9 Å²	56.9	16%	0.157	34%	0.343	C	S	.	.	S	Bend	trans	-70.3	140.1	174.9	0	0	0	0	0	110.1	S82 I83 D91 Q92 M95	S82-A86 PolarHBondContact O-N 3.1Å; S82-A86 VanDerWaalsContact O-N 3.11Å; I83-A86 WeakPolarHBondContact O-CB 3.48Å; I83-A86 PolarHBondContact O-N 3.39Å; A86-D91 HydrophobicContact CB-CB 4.38Å; A86-Q92 HydrophobicContact CB-CG 4.11Å; A86-Q92 VanDerWaalsContact O-CG 3.27Å; A86-Q92 WeakPolarHBondContact O-CG 3.36Å; A86-Q92 PolarHBondContact O-NE2 2.87Å; A86-M95 HydrophobicContact CB-SD 3.93Å
87	G	78.4	Confident	80.9	Confident	65 Å²	65	53.8 Å²	53.8	67%	0.67	32%	0.324	S	S	*	.	S	Bend	trans	-52.2	-95.6	-163.9	0	0	0	0	0	116.2
88	Q	80.4	Confident	81	Confident	135 Å²	135	53.1 Å²	53.1	63%	0.631	32%	0.32	S	S	*	.	S	Bend	trans	-81.1	158.9	-178.5	-65.3	-174.5	-6.8	0	0	110.7	Q90 D91 Q92	Q88-Q90 PolarHBondContact O-N 3.03Å; Q88-Q90 VanDerWaalsContact O-N 3.09Å; Q88-D91 PolarHBondContact N-OD2 3.5Å; Q88-D91 WeakPolarHBondContact O-CA 3.27Å; Q88-D91 VanDerWaalsContact O-CB 3.28Å; Q88-D91 WeakPolarHBondContact O-CB 3.3Å; Q88-D91 PolarHBondContact O-N 2.88Å; Q88-Q92 PolarHBondContact O-N 3.49Å; Q88-Q92 VanDerWaalsContact O-N 3.14Å
89	L	79.8	Confident	81	Confident	42 Å²	42	51.3 Å²	51.3	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-48.4	-40.9	179.5	-178.7	71.3	0	0	0	113.2	V57 H59 L62 D91 Q92 V93	V57-L89 WeakPolarHBondContact O-CD2 3.16Å; H59-L89 HydrophobicContact CB-CD1 4.38Å; H59-L89 WeakPolarHBondContact ND1-CD1 3.35Å; L62-L89 HydrophobicContact CB-CD1 4.37Å; L62-L89 HydrophobicContact CD2-CD1 3.58Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 3.01Å; L89-Q92 WeakPolarHBondContact O-CB 3.3Å; L89-Q92 PolarHBondContact O-N 3.25Å; L89-Q92 VanDerWaalsContact O-N 3.17Å; L89-V93 WeakPolarHBondContact O-CG2 3.4Å; L89-V93 PolarHBondContact O-N 3.44Å
90	Q	79.4	Confident	80.7	Confident	108 Å²	108	49.2 Å²	49.2	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-65.7	-32.3	177.8	-74.3	149.7	-11.8	0	0	112.9	Q88 N94	Q88-Q90 PolarHBondContact O-N 3.03Å; Q88-Q90 VanDerWaalsContact O-N 3.09Å; Q90-N94 VanDerWaalsContact O-CB 3.26Å; Q90-N94 WeakPolarHBondContact O-CB 3.42Å; Q90-N94 PolarHBondContact O-N 2.93Å; Q90-N94 PolarHBondContact O-ND2 3.29Å; Q90-N94 VanDerWaalsContact O-ND2 3.14Å
91	D	81.1	Confident	80.3	Confident	80 Å²	80	50.7 Å²	50.7	43%	0.428	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-40.7	173	-57.8	-41.4	0	0	0	110.3	A86 Q88 L89 N94 M95	A86-D91 HydrophobicContact CB-CB 4.38Å; Q88-D91 PolarHBondContact N-OD2 3.5Å; Q88-D91 WeakPolarHBondContact O-CA 3.27Å; Q88-D91 VanDerWaalsContact O-CB 3.28Å; Q88-D91 WeakPolarHBondContact O-CB 3.3Å; Q88-D91 PolarHBondContact O-N 2.88Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 3.01Å; D91-N94 PolarHBondContact O-N 2.92Å; D91-M95 VanDerWaalsContact O-CB 3.32Å; D91-M95 WeakPolarHBondContact O-CB 3.27Å; D91-M95 PolarHBondContact O-N 3.22Å
92	Q	85	Confident	79.9	Confident	22 Å²	22	50.4 Å²	50.4	10%	0.103	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-46.3	177.1	-54	-173.9	-19.7	0	0	111.2	L62 I83 K84 A86 Q88 L89 M95 I96	L62-Q92 HydrophobicContact CD2-CB 3.79Å; L62-Q92 VanDerWaalsContact CD2-OE1 3.22Å; I83-Q92 HydrophobicContact CG2-CB 4.05Å; I83-Q92 WeakPolarHBondContact O-CG 3.32Å; K84-Q92 PolarHBondContact O-NE2 3.09Å; A86-Q92 HydrophobicContact CB-CG 4.11Å; A86-Q92 VanDerWaalsContact O-CG 3.27Å; A86-Q92 WeakPolarHBondContact O-CG 3.36Å; A86-Q92 PolarHBondContact O-NE2 2.87Å; Q88-Q92 PolarHBondContact O-N 3.49Å; Q88-Q92 VanDerWaalsContact O-N 3.14Å; L89-Q92 WeakPolarHBondContact O-CB 3.3Å; L89-Q92 PolarHBondContact O-N 3.25Å; L89-Q92 VanDerWaalsContact O-N 3.17Å; Q92-M95 PolarHBondContact O-N 3.18Å; Q92-I96 WeakPolarHBondContact O-CG1 3.41Å; Q92-I96 PolarHBondContact O-N 3.3Å
93	V	82.5	Confident	79.2	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.036	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-40.5	177.3	175.8	0	0	0	0	111.7	L53 L54 V57 L62 L89 M95 I96 T97	L53-V93 HydrophobicContact CB-CG1 4.24Å; L54-V93 HydrophobicContact CD2-CB 4.06Å; L54-V93 HydrophobicContact CD2-CG1 3.83Å; L54-V93 HydrophobicContact CG-CG1 4.35Å; V57-V93 HydrophobicContact CB-CG2 3.97Å; V57-V93 HydrophobicContact CG1-CG2 3.83Å; L62-V93 HydrophobicContact CD1-CG2 3.85Å; L89-V93 WeakPolarHBondContact O-CG2 3.4Å; L89-V93 PolarHBondContact O-N 3.44Å; V93-M95 VanDerWaalsContact C-N 3.32Å; V93-M95 PolarHBondContact O-N 3.44Å; V93-I96 PolarHBondContact O-N 3.08Å; V93-T97 PolarHBondContact O-N 3.34Å; V93-T97 PolarHBondContact O-OG1 3.36Å
94	N	83.1	Confident	78.2	Confident	58 Å²	58	59.2 Å²	59.2	31%	0.31	35%	0.347	S	S	.	.	H	α-helix	trans	-61.2	-41.5	172.6	-91.4	-45.3	0	0	0	111.6	L54 Q90 D91 T97 S98	L54-N94 WeakPolarHBondContact CD1-OD1 3.47Å; L54-N94 HydrophobicContact CD2-CB 4.17Å; L54-N94 WeakPolarHBondContact CD2-ND2 3.18Å; L54-N94 VanDerWaalsContact CD2-OD1 3.29Å; L54-N94 WeakPolarHBondContact CD2-OD1 3.32Å; Q90-N94 VanDerWaalsContact O-CB 3.26Å; Q90-N94 WeakPolarHBondContact O-CB 3.42Å; Q90-N94 PolarHBondContact O-N 2.93Å; Q90-N94 PolarHBondContact O-ND2 3.29Å; Q90-N94 VanDerWaalsContact O-ND2 3.14Å; D91-N94 PolarHBondContact O-N 2.92Å; N94-T97 VanDerWaalsContact CA-OG1 3.3Å; N94-T97 WeakPolarHBondContact CA-OG1 3.27Å; N94-T97 PolarHBondContact O-N 3.17Å; N94-T97 PolarHBondContact O-OG1 2.8Å; N94-T97 VanDerWaalsContact O-OG1 3.08Å; N94-S98 VanDerWaalsContact O-CB 3.27Å; N94-S98 WeakPolarHBondContact O-CB 3.38Å; N94-S98 PolarHBondContact O-N 3.23Å; N94-S98 PolarHBondContact O-OG 3.37Å
95	M	81.7	Confident	77.2	Confident	65 Å²	65	59.4 Å²	59.4	32%	0.32	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-44.2	179.4	-157.8	171.4	-153.4	0	0	110.7	S82 I83 A86 D91 Q92 V93 S98 I99	S82-M95 WeakPolarHBondContact OG-CE 3.33Å; I83-M95 HydrophobicContact CG1-CB 4.23Å; I83-M95 HydrophobicContact CG1-CG 4.08Å; I83-M95 HydrophobicContact CG1-SD 4.19Å; A86-M95 HydrophobicContact CB-SD 3.93Å; D91-M95 VanDerWaalsContact O-CB 3.32Å; D91-M95 WeakPolarHBondContact O-CB 3.27Å; D91-M95 PolarHBondContact O-N 3.22Å; Q92-M95 PolarHBondContact O-N 3.18Å; V93-M95 VanDerWaalsContact C-N 3.32Å; V93-M95 PolarHBondContact O-N 3.44Å; M95-S98 WeakPolarHBondContact CA-OG 3.29Å; M95-S98 PolarHBondContact O-N 2.96Å; M95-S98 PolarHBondContact O-OG 3.47Å; M95-I99 HydrophobicContact CG-CD1 4.05Å; M95-I99 WeakPolarHBondContact O-CB 3.42Å; M95-I99 WeakPolarHBondContact O-CD1 3.29Å; M95-I99 VanDerWaalsContact O-CG1 3.26Å; M95-I99 WeakPolarHBondContact O-CG1 3.42Å; M95-I99 PolarHBondContact O-N 3.41Å
96	I	84.1	Confident	76.4	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.036	36%	0.36	C	S	.	.	H	α-helix	trans	-60.9	-50.3	174.1	-68.7	173.8	0	0	0	111.6	L62 I65 L66 L69 I83 Q92 V93 S98 I99 A100	L62-I96 HydrophobicContact CD1-CD1 3.25Å; L62-I96 HydrophobicContact CG-CD1 4.25Å; I65-I96 HydrophobicContact CG2-CG2 4.46Å; L66-I96 HydrophobicContact CD2-CD1 3.43Å; L66-I96 VanDerWaalsContact CD2-CD1 3.43Å; L66-I96 HydrophobicContact CD2-CG1 3.95Å; L66-I96 HydrophobicContact CG-CD1 3.85Å; L69-I96 HydrophobicContact CD1-CG2 3.94Å; I83-I96 HydrophobicContact CB-CG1 4.47Å; I83-I96 HydrophobicContact CD1-CG1 3.64Å; I83-I96 HydrophobicContact CG1-CG1 4.06Å; I83-I96 HydrophobicContact CG2-CD1 3.9Å; I83-I96 HydrophobicContact CG2-CG1 3.64Å; Q92-I96 WeakPolarHBondContact O-CG1 3.41Å; Q92-I96 PolarHBondContact O-N 3.3Å; V93-I96 PolarHBondContact O-N 3.08Å; I96-S98 VanDerWaalsContact C-N 3.25Å; I96-S98 PolarHBondContact O-N 3.22Å; I96-I99 PolarHBondContact O-N 2.86Å; I96-A100 VanDerWaalsContact O-CB 3.26Å; I96-A100 WeakPolarHBondContact O-CB 3.1Å; I96-A100 PolarHBondContact O-N 3.13Å
97	T	80	Confident	76.3	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-33.8	-179.8	40.3	0	0	0	0	111.8	I46 L53 V93 N94 A101	I46-T97 HydrophobicContact CG2-CG2 3.94Å; L53-T97 HydrophobicContact CB-CG2 4.33Å; L53-T97 HydrophobicContact CD1-CG2 3.62Å; V93-T97 PolarHBondContact O-N 3.34Å; V93-T97 PolarHBondContact O-OG1 3.36Å; N94-T97 VanDerWaalsContact CA-OG1 3.3Å; N94-T97 WeakPolarHBondContact CA-OG1 3.27Å; N94-T97 PolarHBondContact O-N 3.17Å; N94-T97 PolarHBondContact O-OG1 2.8Å; N94-T97 VanDerWaalsContact O-OG1 3.08Å; T97-A101 WeakPolarHBondContact O-CB 3.34Å; T97-A101 PolarHBondContact O-N 3.33Å
98	S	80.3	Confident	76.1	Confident	65 Å²	65	59.9 Å²	59.9	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-69.2	-42.6	174	75	0	0	0	0	113	N94 M95 I96 A101 A102	N94-S98 VanDerWaalsContact O-CB 3.27Å; N94-S98 WeakPolarHBondContact O-CB 3.38Å; N94-S98 PolarHBondContact O-N 3.23Å; N94-S98 PolarHBondContact O-OG 3.37Å; M95-S98 WeakPolarHBondContact CA-OG 3.29Å; M95-S98 PolarHBondContact O-N 2.96Å; M95-S98 PolarHBondContact O-OG 3.47Å; I96-S98 VanDerWaalsContact C-N 3.25Å; I96-S98 PolarHBondContact O-N 3.22Å; S98-A101 PolarHBondContact O-N 3.42Å; S98-A102 WeakPolarHBondContact O-CB 3.27Å; S98-A102 PolarHBondContact O-N 3.01Å
99	I	78.5	Confident	75.9	Confident	26 Å²	26	57.6 Å²	57.6	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-66.8	-43.7	177.8	-69.3	163.2	0	0	0	110.1	L75 E79 I83 M95 I96 A101 A102 K103	L75-I99 HydrophobicContact CD2-CG2 3.87Å; E79-I99 HydrophobicContact CB-CD1 4.46Å; I83-I99 HydrophobicContact CD1-CD1 3.77Å; I83-I99 HydrophobicContact CG1-CD1 3.9Å; M95-I99 HydrophobicContact CG-CD1 4.05Å; M95-I99 WeakPolarHBondContact O-CB 3.42Å; M95-I99 WeakPolarHBondContact O-CD1 3.29Å; M95-I99 VanDerWaalsContact O-CG1 3.26Å; M95-I99 WeakPolarHBondContact O-CG1 3.42Å; M95-I99 PolarHBondContact O-N 3.41Å; I96-I99 PolarHBondContact O-N 2.86Å; I99-A101 VanDerWaalsContact C-N 3.29Å; I99-A101 PolarHBondContact O-N 3.28Å; I99-A102 PolarHBondContact O-N 3.47Å; I99-K103 HydrophobicContact CG2-CD 4.47Å; I99-K103 PolarHBondContact O-N 3.23Å
100	A	75	Confident	75.8	Confident	2 Å²	2	56.3 Å²	56.3	2%	0.017	32%	0.317	C	S	.	.	H	α-helix	trans	-68.8	-25.7	178.4	0	0	0	0	0	113.2	I46 I96 S107	I46-A100 HydrophobicContact CD1-CB 3.6Å; I96-A100 VanDerWaalsContact O-CB 3.26Å; I96-A100 WeakPolarHBondContact O-CB 3.1Å; I96-A100 PolarHBondContact O-N 3.13Å; A100-S107 PolarHBondContact O-OG 3.33Å
101	A	73.9	Confident	75.9	Confident	47 Å²	47	51.3 Å²	51.3	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-86.1	-23.8	173	0	0	0	0	0	113.7	T97 S98 I99	T97-A101 WeakPolarHBondContact O-CB 3.34Å; T97-A101 PolarHBondContact O-N 3.33Å; S98-A101 PolarHBondContact O-N 3.42Å; I99-A101 VanDerWaalsContact C-N 3.29Å; I99-A101 PolarHBondContact O-N 3.28Å
102	A	72.3	Confident	76	Confident	87 Å²	87	49.8 Å²	49.8	72%	0.719	28%	0.284	S	S	*	.	H	α-helix	trans	-85.2	-29.9	179.9	0	0	0	0	0	113.2	S98 I99	S98-A102 WeakPolarHBondContact O-CB 3.27Å; S98-A102 PolarHBondContact O-N 3.01Å; I99-A102 PolarHBondContact O-N 3.47Å
103	K	68.3	Low	75.8	Confident	73 Å²	73	51.1 Å²	51.1	32%	0.317	30%	0.299	S	S	.	.	S	Bend	trans	-82.2	146.9	167.3	-64.5	-175.5	-175.9	178.7	0	108.6	V74 E79 I99 S107	V74-K103 PolarHBondContact O-NZ 2.66Å; E79-K103 WeakPolarHBondContact OE1-CE 3.38Å; E79-K103 IonicContact OE1-NZ 2.76Å; E79-K103 PolarHBondContact OE1-NZ 2.95Å; E79-K103 IonicContact OE2-NZ 3.15Å; E79-K103 PolarHBondContact OE2-NZ 3.34Å; I99-K103 HydrophobicContact CG2-CD 4.47Å; I99-K103 PolarHBondContact O-N 3.23Å; K103-S107 VanDerWaalsContact C-OG 3.27Å; K103-S107 WeakPolarHBondContact CB-OG 3.45Å; K103-S107 PolarHBondContact O-OG 2.92Å
104	E	62.8	Low	75.9	Confident	166 Å²	166	52.1 Å²	52.1	78%	0.776	30%	0.303	S	S	*	.			trans	-49.8	173.1	-171.3	-61	172.6	172.5	0	0	115	Q106 S107	E104-Q106 PolarHBondContact O-N 3.16Å; E104-S107 PolarHBondContact O-N 3.17Å; E104-S107 PolarHBondContact O-OG 3.13Å
105	S	60.8	Low	75.9	Confident	86 Å²	86	49.3 Å²	49.3	60%	0.601	29%	0.288	S	S	*	.	H	α-helix	trans	-46.7	-32.3	-171.7	64.1	0	0	0	0	115.6	S107 S108 D109	S105-S107 VanDerWaalsContact C-N 3.3Å; S105-S107 PolarHBondContact O-N 2.79Å; S105-S108 PolarHBondContact O-N 2.92Å; S105-D109 VanDerWaalsContact O-CG 3.23Å; S105-D109 PolarHBondContact O-N 3.01Å
106	Q	64.6	Low	76	Confident	152 Å²	152	51.5 Å²	51.5	71%	0.71	30%	0.297	S	S	*	.	H	α-helix	trans	-58.8	-31.6	179.3	-66.6	-173.9	-6.4	0	0	114.6	E104 A110	E104-Q106 PolarHBondContact O-N 3.16Å; Q106-A110 WeakPolarHBondContact O-CB 3.21Å; Q106-A110 PolarHBondContact O-N 2.87Å
107	S	70.1	Confident	75.8	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-76.9	-33.5	177.8	47.4	0	0	0	0	113.1	V74 A100 K103 E104 S105 L111	V74-S107 VanDerWaalsContact CG1-CB 3.45Å; A100-S107 PolarHBondContact O-OG 3.33Å; K103-S107 VanDerWaalsContact C-OG 3.27Å; K103-S107 WeakPolarHBondContact CB-OG 3.45Å; K103-S107 PolarHBondContact O-OG 2.92Å; E104-S107 PolarHBondContact O-N 3.17Å; E104-S107 PolarHBondContact O-OG 3.13Å; S105-S107 VanDerWaalsContact C-N 3.3Å; S105-S107 PolarHBondContact O-N 2.79Å; S107-L111 PolarHBondContact O-N 3.4Å
108	S	73.4	Confident	75.8	Confident	19 Å²	19	56 Å²	56	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-67.4	-41.8	171.9	-178.8	0	0	0	0	111.1	I46 S105 L111 Q112	I46-S108 WeakPolarHBondContact CG1-OG 3.25Å; S105-S108 PolarHBondContact O-N 2.92Å; S108-L111 PolarHBondContact O-N 3.18Å; S108-Q112 WeakPolarHBondContact O-CB 3.15Å; S108-Q112 PolarHBondContact O-N 3.3Å
109	D	76.4	Confident	75.3	Confident	87 Å²	87	60.5 Å²	60.5	47%	0.465	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-36.6	179.2	-63.7	-22.8	0	0	0	111.8	S105 Q112 A113	S105-D109 VanDerWaalsContact O-CG 3.23Å; S105-D109 PolarHBondContact O-N 3.01Å; D109-Q112 PolarHBondContact O-N 3.38Å; D109-A113 VanDerWaalsContact O-CB 3.25Å; D109-A113 WeakPolarHBondContact O-CB 3.07Å; D109-A113 PolarHBondContact O-N 2.74Å
110	A	79.3	Confident	75.1	Confident	15 Å²	15	60.9 Å²	60.9	12%	0.124	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-42.4	175.7	0	0	0	0	0	112.6	L69 V74 Q106 F114	L69-A110 HydrophobicContact CD2-CB 4.34Å; V74-A110 HydrophobicContact CG2-CB 3.95Å; Q106-A110 WeakPolarHBondContact O-CB 3.21Å; Q106-A110 PolarHBondContact O-N 2.87Å; A110-F114 PolarHBondContact O-N 3.3Å; A110-F114 VanDerWaalsContact O-N 3.08Å
111	L	80.5	Confident	74.8	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-66.6	-41.6	175.7	-175.9	65.7	0	0	0	111.4	W45 I46 L53 I65 L69 S107 S108 F114 I115	W45-L111 HydrophobicContact CZ3-CG 4.48Å; I46-L111 HydrophobicContact CD1-CD2 3.81Å; I46-L111 HydrophobicContact CG1-CD2 4.05Å; L53-L111 HydrophobicContact CD1-CD2 4.38Å; I65-L111 HydrophobicContact CG2-CD1 3.59Å; L69-L111 HydrophobicContact CD1-CD1 4.25Å; L69-L111 HydrophobicContact CD2-CB 4.34Å; S107-L111 PolarHBondContact O-N 3.4Å; S108-L111 PolarHBondContact O-N 3.18Å; L111-F114 PolarHBondContact O-N 2.96Å; L111-I115 HydrophobicContact CD1-CD1 4.21Å; L111-I115 HydrophobicContact CG-CD1 4.16Å; L111-I115 WeakPolarHBondContact O-CG1 3.34Å; L111-I115 PolarHBondContact O-N 3.14Å
112	Q	83.3	Confident	74.7	Confident	47 Å²	47	67.1 Å²	67.1	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-49.9	175.2	175.7	175.9	-4.3	0	0	111.4	W45 S108 D109 F114 I115 E116	W45-Q112 HydrophobicContact CD2-CB 3.79Å; W45-Q112 HydrophobicContact CD2-CG 3.86Å; W45-Q112 HydrophobicContact CE3-CB 3.97Å; W45-Q112 HydrophobicContact CG-CB 4.14Å; W45-Q112 HydrophobicContact CG-CG 3.95Å; W45-Q112 HydrophobicContact CZ2-CB 4.42Å; W45-Q112 HydrophobicContact CZ2-CG 4.25Å; W45-Q112 HydrophobicContact CZ3-CB 4.4Å; S108-Q112 WeakPolarHBondContact O-CB 3.15Å; S108-Q112 PolarHBondContact O-N 3.3Å; D109-Q112 PolarHBondContact O-N 3.38Å; Q112-F114 VanDerWaalsContact C-N 3.3Å; Q112-F114 PolarHBondContact O-N 2.84Å; Q112-I115 PolarHBondContact O-N 3.43Å; Q112-I115 VanDerWaalsContact O-N 3.14Å; Q112-E116 HydrophobicContact CG-CG 4.28Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.24Å; Q112-E116 PolarHBondContact NE2-OE1 3.14Å; Q112-E116 WeakPolarHBondContact O-CB 3.27Å; Q112-E116 WeakPolarHBondContact O-CG 3.48Å; Q112-E116 PolarHBondContact O-N 3.32Å
113	A	81.2	Confident	74.8	Confident	51 Å²	51	63 Å²	63	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-61.5	-37	-179.3	0	0	0	0	0	112.5	D109 S117	D109-A113 VanDerWaalsContact O-CB 3.25Å; D109-A113 WeakPolarHBondContact O-CB 3.07Å; D109-A113 PolarHBondContact O-N 2.74Å; A113-S117 VanDerWaalsContact O-CB 3.28Å; A113-S117 WeakPolarHBondContact O-CB 3.24Å; A113-S117 PolarHBondContact O-N 3.18Å; A113-S117 PolarHBondContact O-OG 2.9Å
114	F	84.8	Confident	75	Confident	26 Å²	26	65.3 Å²	65.3	11%	0.114	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-46.9	173.5	178.5	-103.8	0	0	0	112	F61 E64 I65 H68 A110 L111 Q112 S117 S118	F61-F114 HydrophobicContact CE2-CE1 4.22Å; F61-F114 HydrophobicContact CZ-CE1 4.07Å; E64-F114 HydrophobicContact CB-CZ 3.93Å; I65-F114 HydrophobicContact CB-CE1 4.39Å; I65-F114 HydrophobicContact CG1-CD1 3.84Å; I65-F114 HydrophobicContact CG1-CE1 3.53Å; H68-F114 HydrophobicContact CB-CD2 3.57Å; H68-F114 HydrophobicContact CB-CE2 3.76Å; H68-F114 HydrophobicContact CB-CG 4.15Å; H68-F114 HydrophobicContact CB-CZ 4.49Å; H68-F114 AromaticContact CD2-CD2 3.69Å; H68-F114 AromaticContact CD2-CG 3.81Å; H68-F114 AromaticContact CE1-CD2 3.96Å; H68-F114 AromaticContact CG-CD2 3.28Å; H68-F114 AromaticContact CG-CE2 3.95Å; H68-F114 AromaticContact CG-CG 3.85Å; H68-F114 AromaticContact ND1-CD2 3.49Å; H68-F114 WeakPolarHBondContact ND1-CD2 3.26Å; A110-F114 PolarHBondContact O-N 3.3Å; A110-F114 VanDerWaalsContact O-N 3.08Å; L111-F114 PolarHBondContact O-N 2.96Å; Q112-F114 VanDerWaalsContact C-N 3.3Å; Q112-F114 PolarHBondContact O-N 2.84Å; F114-S117 PolarHBondContact O-N 3.09Å; F114-S117 PolarHBondContact O-OG 3.33Å; F114-S118 WeakPolarHBondContact O-CB 3.48Å; F114-S118 PolarHBondContact O-N 2.67Å; F114-S118 VanDerWaalsContact O-N 3.08Å
115	I	83.1	Confident	75.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.4	-39.2	-177.8	-68.5	171.3	0	0	0	110.7	W45 L53 L111 Q112 S117 A123 I126 L127	W45-I115 HydrophobicContact CH2-CB 4.19Å; W45-I115 HydrophobicContact CH2-CD1 3.56Å; W45-I115 HydrophobicContact CH2-CG1 4.43Å; W45-I115 HydrophobicContact CH2-CG2 4.22Å; W45-I115 HydrophobicContact CZ2-CG2 4.36Å; W45-I115 HydrophobicContact CZ3-CD1 4.1Å; L53-I115 HydrophobicContact CD2-CD1 3.57Å; L111-I115 HydrophobicContact CD1-CD1 4.21Å; L111-I115 HydrophobicContact CG-CD1 4.16Å; L111-I115 WeakPolarHBondContact O-CG1 3.34Å; L111-I115 PolarHBondContact O-N 3.14Å; Q112-I115 PolarHBondContact O-N 3.43Å; Q112-I115 VanDerWaalsContact O-N 3.14Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 2.86Å; I115-A123 HydrophobicContact CG2-CB 4.34Å; I115-I126 HydrophobicContact CG2-CB 4.43Å; I115-I126 HydrophobicContact CG2-CG2 4.25Å; I115-L127 HydrophobicContact CG2-CD1 4.18Å; I115-L127 HydrophobicContact CG2-CD2 4.12Å; I115-L127 HydrophobicContact CG2-CG 3.95Å
116	E	82.5	Confident	76.1	Confident	111 Å²	111	54.2 Å²	54.2	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-69.2	-25.3	176.5	-71.8	177.6	177.5	0	0	113.8	Q112 L127	Q112-E116 HydrophobicContact CG-CG 4.28Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.24Å; Q112-E116 PolarHBondContact NE2-OE1 3.14Å; Q112-E116 WeakPolarHBondContact O-CB 3.27Å; Q112-E116 WeakPolarHBondContact O-CG 3.48Å; Q112-E116 PolarHBondContact O-N 3.32Å; E116-L127 HydrophobicContact CG-CD1 4.2Å; E116-L127 HydrophobicContact CG-CD2 3.94Å
117	S	80	Confident	76.7	Confident	86 Å²	86	50 Å²	50	60%	0.601	28%	0.275	S	S	*	.	H	α-helix	trans	-97.4	-5	179.2	60.4	0	0	0	0	114.6	A113 F114 I115	A113-S117 VanDerWaalsContact O-CB 3.28Å; A113-S117 WeakPolarHBondContact O-CB 3.24Å; A113-S117 PolarHBondContact O-N 3.18Å; A113-S117 PolarHBondContact O-OG 2.9Å; F114-S117 PolarHBondContact O-N 3.09Å; F114-S117 PolarHBondContact O-OG 3.33Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 2.86Å
118	S	80.1	Confident	76.9	Confident	22 Å²	22	51.5 Å²	51.5	15%	0.154	29%	0.285	C	S	.	.			trans	-85	127.7	-179.4	-176.7	0	0	0	0	111.7	F114 S120	F114-S118 WeakPolarHBondContact O-CB 3.48Å; F114-S118 PolarHBondContact O-N 2.67Å; F114-S118 VanDerWaalsContact O-N 3.08Å; S118-S120 PolarHBondContact O-N 2.9Å; S118-S120 VanDerWaalsContact OG-CB 3.3Å; S118-S120 WeakPolarHBondContact OG-CB 3.15Å; S118-S120 PolarHBondContact OG-N 3.32Å
119	D	69.8	Low	77.1	Confident	158 Å²	158	51.8 Å²	51.8	85%	0.845	28%	0.283	S	S	*	.			trans	-79.2	5.7	172	-73.6	-34.9	0	0	0	113.1
120	S	75.5	Confident	77.2	Confident	34 Å²	34	50.5 Å²	50.5	24%	0.238	28%	0.277	C	S	.	.			trans	-63.8	139.1	177.3	176.7	0	0	0	0	111.1	F61 S118 V122 A123 Q124	F61-S120 VanDerWaalsContact CE2-CB 3.49Å; S118-S120 PolarHBondContact O-N 2.9Å; S118-S120 VanDerWaalsContact OG-CB 3.3Å; S118-S120 WeakPolarHBondContact OG-CB 3.15Å; S118-S120 PolarHBondContact OG-N 3.32Å; S120-V122 PolarHBondContact O-N 2.94Å; S120-V122 PolarHBondContact OG-N 2.82Å; S120-A123 WeakPolarHBondContact O-CB 3.26Å; S120-A123 PolarHBondContact O-N 3.1Å; S120-A123 VanDerWaalsContact O-N 3.08Å; S120-Q124 PolarHBondContact O-N 3.18Å
121	E	68.6	Low	77.2	Confident	160 Å²	160	52.9 Å²	52.9	75%	0.748	30%	0.296	S	S	*	.	H	α-helix	trans	-52.7	-43.5	173.1	-72.7	-172.4	164.6	0	0	110.4	A123 Q124 L125	E121-A123 VanDerWaalsContact C-N 3.32Å; E121-A123 PolarHBondContact O-N 2.83Å; E121-Q124 PolarHBondContact O-N 2.97Å; E121-Q124 VanDerWaalsContact O-N 3.16Å; E121-L125 VanDerWaalsContact O-CG 3.24Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 3.36Å
122	V	71.6	Confident	77.3	Confident	21 Å²	21	53.3 Å²	53.3	13%	0.127	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-41.3	179.1	178.3	0	0	0	0	112.4	F56 F61 S120 L125 I126	F56-V122 HydrophobicContact CB-CG1 4.22Å; F56-V122 WeakPolarHBondContact O-CG1 3.49Å; F61-V122 HydrophobicContact CB-CG1 4.49Å; F61-V122 HydrophobicContact CD1-CB 4.07Å; F61-V122 HydrophobicContact CD1-CG1 3.49Å; F61-V122 VanDerWaalsContact CD1-CG1 3.49Å; F61-V122 HydrophobicContact CD2-CB 4.47Å; F61-V122 HydrophobicContact CE1-CB 4.32Å; F61-V122 HydrophobicContact CE1-CG1 3.83Å; F61-V122 HydrophobicContact CG-CB 4.16Å; F61-V122 HydrophobicContact CG-CG1 4Å; S120-V122 PolarHBondContact O-N 2.94Å; S120-V122 PolarHBondContact OG-N 2.82Å; V122-L125 WeakPolarHBondContact O-CB 3.28Å; V122-L125 PolarHBondContact O-N 3Å; V122-I126 HydrophobicContact CG1-CD1 3.98Å; V122-I126 WeakPolarHBondContact O-CG1 3.39Å; V122-I126 PolarHBondContact O-N 3.28Å
123	A	74.4	Confident	77.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-43.3	178.8	0	0	0	0	0	111.4	F61 I115 S120 E121 L125 I126 L127	F61-A123 HydrophobicContact CE2-CB 4.38Å; F61-A123 HydrophobicContact CZ-CB 3.77Å; I115-A123 HydrophobicContact CG2-CB 4.34Å; S120-A123 WeakPolarHBondContact O-CB 3.26Å; S120-A123 PolarHBondContact O-N 3.1Å; S120-A123 VanDerWaalsContact O-N 3.08Å; E121-A123 VanDerWaalsContact C-N 3.32Å; E121-A123 PolarHBondContact O-N 2.83Å; A123-L125 VanDerWaalsContact C-N 3.33Å; A123-L125 PolarHBondContact O-N 3.13Å; A123-I126 PolarHBondContact O-N 2.85Å; A123-L127 WeakPolarHBondContact O-CG 3.22Å; A123-L127 PolarHBondContact O-N 3.44Å; A123-L127 VanDerWaalsContact O-N 3.17Å
124	Q	72.4	Confident	77.5	Confident	122 Å²	122	55.7 Å²	55.7	57%	0.57	30%	0.3	S	S	*	.	H	α-helix	trans	-65.8	-34.2	173.8	-64.8	-143	-6.3	0	0	112.7	S120 E121 S128	S120-Q124 PolarHBondContact O-N 3.18Å; E121-Q124 PolarHBondContact O-N 2.97Å; E121-Q124 VanDerWaalsContact O-N 3.16Å; Q124-S128 VanDerWaalsContact O-CB 3.27Å; Q124-S128 WeakPolarHBondContact O-CB 3.32Å; Q124-S128 PolarHBondContact O-N 2.94Å; Q124-S128 PolarHBondContact O-OG 3.26Å
125	L	70.8	Confident	77.7	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.094	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-50.6	173.2	-53	-174.7	0	0	0	110.3	F56 E121 V122 A123 L127 S128 Y129 L282	F56-L125 HydrophobicContact CD2-CB 4.44Å; F56-L125 HydrophobicContact CG-CB 4.41Å; E121-L125 VanDerWaalsContact O-CG 3.24Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 3.36Å; V122-L125 WeakPolarHBondContact O-CB 3.28Å; V122-L125 PolarHBondContact O-N 3Å; A123-L125 VanDerWaalsContact C-N 3.33Å; A123-L125 PolarHBondContact O-N 3.13Å; L125-L127 VanDerWaalsContact C-N 3.3Å; L125-L127 PolarHBondContact O-N 3.23Å; L125-S128 PolarHBondContact O-N 3.33Å; L125-Y129 WeakPolarHBondContact O-CA 3.48Å; L125-Y129 WeakPolarHBondContact O-CB 3.07Å; L125-Y129 PolarHBondContact O-N 3.23Å; L125-L282 HydrophobicContact CB-CD1 3.77Å; L125-L282 HydrophobicContact CD1-CD1 3.99Å; L125-L282 HydrophobicContact CD2-CB 3.54Å; L125-L282 HydrophobicContact CD2-CD1 3.24Å; L125-L282 HydrophobicContact CD2-CD2 4.4Å; L125-L282 HydrophobicContact CD2-CG 3.83Å; L125-L282 HydrophobicContact CG-CD1 3.77Å
126	I	75.3	Confident	78	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-57.2	-43.2	-178.1	-67.5	161.4	0	0	0	111.5	H49 Q52 L53 F56 V57 F61 I115 V122 A123	H49-I126 HydrophobicContact CB-CG2 4.43Å; Q52-I126 HydrophobicContact CB-CG2 4.21Å; L53-I126 HydrophobicContact CD2-CD1 4.15Å; F56-I126 HydrophobicContact CB-CG1 3.96Å; F56-I126 HydrophobicContact CD2-CG1 4.08Å; V57-I126 HydrophobicContact CG2-CD1 4.14Å; F61-I126 HydrophobicContact CE1-CD1 4.15Å; I115-I126 HydrophobicContact CG2-CB 4.43Å; I115-I126 HydrophobicContact CG2-CG2 4.25Å; V122-I126 HydrophobicContact CG1-CD1 3.98Å; V122-I126 WeakPolarHBondContact O-CG1 3.39Å; V122-I126 PolarHBondContact O-N 3.28Å; A123-I126 PolarHBondContact O-N 2.85Å
127	L	77.1	Confident	78.4	Confident	63 Å²	63	56.7 Å²	56.7	33%	0.33	30%	0.303	S	S	.	.	H	α-helix	trans	-77.6	-36	-176.4	-65.9	168.2	0	0	0	113.6	W45 I115 E116 A123 L125	W45-L127 HydrophobicContact CZ2-CD2 4.04Å; I115-L127 HydrophobicContact CG2-CD1 4.18Å; I115-L127 HydrophobicContact CG2-CD2 4.12Å; I115-L127 HydrophobicContact CG2-CG 3.95Å; E116-L127 HydrophobicContact CG-CD1 4.2Å; E116-L127 HydrophobicContact CG-CD2 3.94Å; A123-L127 WeakPolarHBondContact O-CG 3.22Å; A123-L127 PolarHBondContact O-N 3.44Å; A123-L127 VanDerWaalsContact O-N 3.17Å; L125-L127 VanDerWaalsContact C-N 3.3Å; L125-L127 PolarHBondContact O-N 3.23Å
128	S	75.6	Confident	78.9	Confident	37 Å²	37	57 Å²	57	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-96.7	-11.8	-173.3	70.8	0	0	0	0	114.1	Q124 L125 A131 T132	Q124-S128 VanDerWaalsContact O-CB 3.27Å; Q124-S128 WeakPolarHBondContact O-CB 3.32Å; Q124-S128 PolarHBondContact O-N 2.94Å; Q124-S128 PolarHBondContact O-OG 3.26Å; L125-S128 PolarHBondContact O-N 3.33Å; S128-A131 PolarHBondContact O-N 3.09Å; S128-T132 VanDerWaalsContact O-CB 3.24Å; S128-T132 WeakPolarHBondContact O-CB 3.39Å; S128-T132 PolarHBondContact O-N 3.27Å; S128-T132 PolarHBondContact O-OG1 3.2Å
129	Y	77.9	Confident	79.3	Confident	25 Å²	25	58.2 Å²	58.2	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-55.8	-57.4	-172.9	173.9	-94.7	0	0	0	112.8	Q52 F56 L125 A131 T132 V133 H248 F249	Q52-Y129 HydrophobicContact CG-CD1 3.84Å; Q52-Y129 HydrophobicContact CG-CG 4.4Å; F56-Y129 HydrophobicContact CE2-CD1 4.35Å; F56-Y129 AromaticContact CE2-CD2 3.67Å; F56-Y129 HydrophobicContact CE2-CD2 3.67Å; F56-Y129 HydrophobicContact CE2-CE2 4.22Å; F56-Y129 AromaticContact CE2-CG 3.75Å; F56-Y129 HydrophobicContact CE2-CG 3.75Å; F56-Y129 AromaticContact CZ-CD2 3.44Å; F56-Y129 HydrophobicContact CZ-CD2 3.44Å; F56-Y129 VanDerWaalsContact CZ-CD2 3.44Å; F56-Y129 AromaticContact CZ-CE2 3.64Å; F56-Y129 HydrophobicContact CZ-CE2 3.64Å; F56-Y129 HydrophobicContact CZ-CG 4.01Å; L125-Y129 WeakPolarHBondContact O-CA 3.48Å; L125-Y129 WeakPolarHBondContact O-CB 3.07Å; L125-Y129 PolarHBondContact O-N 3.23Å; Y129-A131 VanDerWaalsContact C-N 3.31Å; Y129-A131 PolarHBondContact O-N 3.07Å; Y129-T132 PolarHBondContact O-N 3.11Å; Y129-T132 VanDerWaalsContact O-N 3.1Å; Y129-V133 HydrophobicContact CD1-CG2 4.4Å; Y129-V133 HydrophobicContact CD2-CG2 3.95Å; Y129-V133 HydrophobicContact CE1-CG2 4.04Å; Y129-V133 HydrophobicContact CE2-CG2 3.57Å; Y129-V133 HydrophobicContact CG-CG2 4.34Å; Y129-V133 WeakPolarHBondContact O-CG2 3.36Å; Y129-V133 PolarHBondContact O-N 3.4Å; Y129-H248 HydrophobicContact CE2-CB 4.12Å; Y129-H248 AromaticContact CZ-CD2 4Å; Y129-H248 VanDerWaalsContact OH-CB 3.24Å; Y129-H248 WeakPolarHBondContact OH-CB 3.46Å; Y129-H248 PolarHBondContact OH-CD2 3.02Å; Y129-F249 HydrophobicContact CD2-CE2 4.48Å; Y129-F249 HydrophobicContact CE2-CE2 4.13Å; Y129-F249 HydrophobicContact CE2-CZ 4.44Å
130	D	76.7	Confident	80.2	Confident	61 Å²	61	50.7 Å²	50.7	33%	0.326	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-43.8	-176.9	-75.5	-7.9	0	0	0	111.9	Q52 T132 K134	Q52-D130 PolarHBondContact NE2-OD1 2.67Å; Q52-D130 PolarHBondContact NE2-OD2 3.5Å; Q52-D130 VanDerWaalsContact NE2-OD2 3.13Å; D130-T132 VanDerWaalsContact C-N 3.33Å; D130-K134 WeakPolarHBondContact O-CB 3.41Å; D130-K134 PolarHBondContact O-N 3.15Å
131	A	80.5	Confident	80.8	Confident	65 Å²	65	51.1 Å²	51.1	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-40	179.2	0	0	0	0	0	111.1	S128 Y129 K135	S128-A131 PolarHBondContact O-N 3.09Å; Y129-A131 VanDerWaalsContact C-N 3.31Å; Y129-A131 PolarHBondContact O-N 3.07Å; A131-K135 WeakPolarHBondContact O-CB 3.13Å; A131-K135 PolarHBondContact O-N 2.92Å
132	T	82.7	Confident	81.7	Confident	12 Å²	12	49 Å²	49	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-70.2	-47.5	180	-58.9	0	0	0	0	111.6	S128 Y129 D130 K135 H136 F249 L277 P278 L282	S128-T132 VanDerWaalsContact O-CB 3.24Å; S128-T132 WeakPolarHBondContact O-CB 3.39Å; S128-T132 PolarHBondContact O-N 3.27Å; S128-T132 PolarHBondContact O-OG1 3.2Å; Y129-T132 PolarHBondContact O-N 3.11Å; Y129-T132 VanDerWaalsContact O-N 3.1Å; D130-T132 VanDerWaalsContact C-N 3.33Å; T132-K135 PolarHBondContact O-N 3.49Å; T132-H136 WeakPolarHBondContact O-CB 3.22Å; T132-H136 PolarHBondContact O-N 2.8Å; T132-F249 HydrophobicContact CG2-CE1 4.29Å; T132-F249 HydrophobicContact CG2-CZ 4.48Å; T132-L277 HydrophobicContact CG2-CD2 3.63Å; T132-P278 HydrophobicContact CG2-CG 4.37Å; T132-L282 HydrophobicContact CG2-CD2 4.18Å
133	V	83.4	Confident	82.2	Confident	14 Å²	14	52 Å²	52	9%	0.085	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-45.5	177.6	173.1	0	0	0	0	110.4	Y129 H136 K137 F249	Y129-V133 HydrophobicContact CD1-CG2 4.4Å; Y129-V133 HydrophobicContact CD2-CG2 3.95Å; Y129-V133 HydrophobicContact CE1-CG2 4.04Å; Y129-V133 HydrophobicContact CE2-CG2 3.57Å; Y129-V133 HydrophobicContact CG-CG2 4.34Å; Y129-V133 WeakPolarHBondContact O-CG2 3.36Å; Y129-V133 PolarHBondContact O-N 3.4Å; V133-H136 PolarHBondContact O-N 2.87Å; V133-K137 HydrophobicContact CG1-CD 4.29Å; V133-K137 HydrophobicContact CG1-CG 4.5Å; V133-K137 WeakPolarHBondContact O-CG 3.18Å; V133-K137 PolarHBondContact O-N 3.25Å; V133-F249 HydrophobicContact CG2-CE1 3.83Å; V133-F249 HydrophobicContact CG2-CE2 4.31Å; V133-F249 HydrophobicContact CG2-CZ 3.69Å
134	K	85.6	Confident	82.4	Confident	133 Å²	133	52.7 Å²	52.7	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-60	-50.1	176.9	-175.9	178	177.7	-178.5	0	111.4	D130 H136 K137 E138	D130-K134 WeakPolarHBondContact O-CB 3.41Å; D130-K134 PolarHBondContact O-N 3.15Å; K134-H136 VanDerWaalsContact C-N 3.29Å; K134-H136 PolarHBondContact O-N 3.09Å; K134-K137 PolarHBondContact O-N 3.08Å; K134-E138 WeakPolarHBondContact CE-OE1 3.5Å; K134-E138 WeakPolarHBondContact O-CG 3.37Å; K134-E138 PolarHBondContact O-N 3.01Å
135	K	87.8	Confident	82.5	Confident	109 Å²	109	50.9 Å²	50.9	47%	0.474	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-40.6	176.4	-174.7	179.1	-176.5	-175.4	0	111.6	A131 T132 E138 V139	A131-K135 WeakPolarHBondContact O-CB 3.13Å; A131-K135 PolarHBondContact O-N 2.92Å; T132-K135 PolarHBondContact O-N 3.49Å; K135-E138 PolarHBondContact O-N 3.4Å; K135-V139 VanDerWaalsContact O-CG2 3.28Å; K135-V139 WeakPolarHBondContact O-CG2 3.42Å; K135-V139 PolarHBondContact O-N 3.11Å
136	H	89.7	Confident	82.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-44.5	178.3	-177.4	78.4	0	0	0	112	T132 V133 K134 E138 V139 L140 V250 F274 H276 L277	T132-H136 WeakPolarHBondContact O-CB 3.22Å; T132-H136 PolarHBondContact O-N 2.8Å; V133-H136 PolarHBondContact O-N 2.87Å; K134-H136 VanDerWaalsContact C-N 3.29Å; K134-H136 PolarHBondContact O-N 3.09Å; H136-E138 PolarHBondContact O-N 2.97Å; H136-V139 PolarHBondContact O-N 3.47Å; H136-L140 VanDerWaalsContact NE2-CD1 3.33Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.36Å; H136-L140 WeakPolarHBondContact O-CG 3.04Å; H136-L140 PolarHBondContact O-N 3.49Å; H136-V250 PolarHBondContact NE2-O 3.38Å; H136-F274 AromaticContact CE1-CD1 3.9Å; H136-H276 AromaticContact CG-NE2 3.85Å; H136-H276 AromaticContact ND1-CE1 3.86Å; H136-H276 AromaticContact ND1-NE2 3.15Å; H136-H276 PolarHBondContact ND1-NE2 3.41Å; H136-H276 VanDerWaalsContact ND1-NE2 3.15Å; H136-L277 HydrophobicContact CB-CD2 4.16Å
137	K	90.5	Very high	81.8	Confident	50 Å²	50	59.5 Å²	59.5	22%	0.217	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-43.2	173.6	-73.9	-176	177.2	-163.6	0	112.1	V133 K134 L140 L141 W238 C239	V133-K137 HydrophobicContact CG1-CD 4.29Å; V133-K137 HydrophobicContact CG1-CG 4.5Å; V133-K137 WeakPolarHBondContact O-CG 3.18Å; V133-K137 PolarHBondContact O-N 3.25Å; K134-K137 PolarHBondContact O-N 3.08Å; K137-L140 PolarHBondContact O-N 3.47Å; K137-L141 VanDerWaalsContact O-CB 3.23Å; K137-L141 WeakPolarHBondContact O-CB 3.45Å; K137-L141 PolarHBondContact O-N 2.85Å; K137-W238 HydrophobicContact CD-CH2 4.43Å; K137-W238 HydrophobicContact CG-CE3 4.36Å; K137-W238 HydrophobicContact CG-CH2 3.78Å; K137-W238 HydrophobicContact CG-CZ3 3.69Å; K137-W238 PolarHBondContact NZ-O 3.01Å; K137-C239 HydrophobicContact CB-CB 4.39Å; K137-C239 PolarHBondContact O-SG 3.5Å
138	E	90.3	Very high	80.9	Confident	91 Å²	91	64 Å²	64	43%	0.425	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-46.4	177.3	-73.8	170.9	-176.3	0	0	112.2	K134 K135 H136 L141 Q142	K134-E138 WeakPolarHBondContact CE-OE1 3.5Å; K134-E138 WeakPolarHBondContact O-CG 3.37Å; K134-E138 PolarHBondContact O-N 3.01Å; K135-E138 PolarHBondContact O-N 3.4Å; H136-E138 PolarHBondContact O-N 2.97Å; E138-L141 PolarHBondContact O-N 2.96Å; E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 3.35Å
139	V	89.8	Confident	79.3	Confident	48 Å²	48	68.8 Å²	68.8	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-47.3	177.6	170.1	0	0	0	0	111.1	K135 H136 Q142 Q143	K135-V139 VanDerWaalsContact O-CG2 3.28Å; K135-V139 WeakPolarHBondContact O-CG2 3.42Å; K135-V139 PolarHBondContact O-N 3.11Å; H136-V139 PolarHBondContact O-N 3.47Å; V139-Q142 PolarHBondContact O-N 2.89Å; V139-Q143 WeakPolarHBondContact O-CB 3.49Å; V139-Q143 PolarHBondContact O-N 2.78Å
140	L	89.1	Confident	77.9	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-44	177.3	-73.7	-179.9	0	0	0	111.5	H136 K137 Q142 Q143 Y144 I235 W238 P252 F274	H136-L140 VanDerWaalsContact NE2-CD1 3.33Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.36Å; H136-L140 WeakPolarHBondContact O-CG 3.04Å; H136-L140 PolarHBondContact O-N 3.49Å; K137-L140 PolarHBondContact O-N 3.47Å; L140-Q142 VanDerWaalsContact C-N 3.35Å; L140-Q142 PolarHBondContact O-N 3.45Å; L140-Q143 PolarHBondContact O-N 2.98Å; L140-Y144 HydrophobicContact CD2-CE2 4.13Å; L140-Y144 VanDerWaalsContact O-CD2 3.3Å; L140-Y144 WeakPolarHBondContact O-CD2 3.24Å; L140-Y144 PolarHBondContact O-N 3.38Å; L140-I235 HydrophobicContact CB-CG2 4.47Å; L140-I235 HydrophobicContact CD1-CG2 4.5Å; L140-W238 HydrophobicContact CD1-CZ3 4.05Å; L140-P252 HydrophobicContact CD2-CG 4.02Å; L140-F274 HydrophobicContact CD2-CE1 4.1Å
141	L	88.3	Confident	76.4	Confident	43 Å²	43	73.7 Å²	73.7	23%	0.225	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-46.1	179.6	-172.5	64.6	0	0	0	110.7	K137 E138 Q143 Y144 E145 C239	K137-L141 VanDerWaalsContact O-CB 3.23Å; K137-L141 WeakPolarHBondContact O-CB 3.45Å; K137-L141 PolarHBondContact O-N 2.85Å; E138-L141 PolarHBondContact O-N 2.96Å; L141-Q143 PolarHBondContact O-N 3.46Å; L141-Y144 PolarHBondContact O-N 2.91Å; L141-E145 HydrophobicContact CD1-CG 4.2Å; L141-E145 HydrophobicContact CG-CG 4.32Å; L141-E145 VanDerWaalsContact O-CB 3.25Å; L141-E145 WeakPolarHBondContact O-CB 3.4Å; L141-E145 VanDerWaalsContact O-CG 3.25Å; L141-E145 WeakPolarHBondContact O-CG 3.41Å; L141-E145 PolarHBondContact O-N 3.16Å; L141-C239 HydrophobicContact CB-CB 4.27Å; L141-C239 HydrophobicContact CD1-CB 4.27Å
142	Q	86.2	Confident	74.6	Confident	115 Å²	115	74.8 Å²	74.8	54%	0.537	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-42.5	175.6	-72.3	179.4	10.3	0	0	112.8	E138 V139 L140 K146	E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 3.35Å; V139-Q142 PolarHBondContact O-N 2.89Å; L140-Q142 VanDerWaalsContact C-N 3.35Å; L140-Q142 PolarHBondContact O-N 3.45Å; Q142-K146 WeakPolarHBondContact O-CG 3.39Å; Q142-K146 PolarHBondContact O-N 2.88Å; Q142-K146 VanDerWaalsContact O-N 3.1Å
143	Q	82.6	Confident	72.7	Confident	84 Å²	84	76.6 Å²	76.6	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-47.8	178.6	-178.6	177.5	-6.4	0	0	111.3	V139 L140 L141 Q147	V139-Q143 WeakPolarHBondContact O-CB 3.49Å; V139-Q143 PolarHBondContact O-N 2.78Å; L140-Q143 PolarHBondContact O-N 2.98Å; L141-Q143 PolarHBondContact O-N 3.46Å; Q143-Q147 WeakPolarHBondContact O-CG 3.23Å; Q143-Q147 PolarHBondContact O-N 2.89Å
144	Y	79.2	Confident	70.7	Confident	15 Å²	15	78.3 Å²	78.3	6%	0.059	37%	0.373	C	S	.	.	H	α-helix	trans	-81.1	-18.1	-177.2	-77	-79.7	0	0	0	113.6	L140 L141 R232 I235 R236 P252	L140-Y144 HydrophobicContact CD2-CE2 4.13Å; L140-Y144 VanDerWaalsContact O-CD2 3.3Å; L140-Y144 WeakPolarHBondContact O-CD2 3.24Å; L140-Y144 PolarHBondContact O-N 3.38Å; L141-Y144 PolarHBondContact O-N 2.91Å; Y144-R232 HydrophobicContact CD1-CB 4.3Å; Y144-R232 HydrophobicContact CD1-CG 3.72Å; Y144-R232 HydrophobicContact CE1-CG 3.75Å; Y144-I235 HydrophobicContact CD2-CG2 3.89Å; Y144-I235 HydrophobicContact CE1-CD1 4.15Å; Y144-I235 HydrophobicContact CE2-CD1 3.91Å; Y144-I235 HydrophobicContact CE2-CG2 4.05Å; Y144-I235 HydrophobicContact CG-CG2 4.49Å; Y144-R236 PolarHBondContact O-NE 2.88Å; Y144-R236 PolarHBondContact O-NH2 3.39Å; Y144-P252 HydrophobicContact CE2-CG 4.09Å; Y144-P252 WeakPolarHBondContact OH-CB 3.45Å; Y144-P252 WeakPolarHBondContact OH-CG 3.41Å
145	E	74.1	Confident	69	Low	85 Å²	85	73.3 Å²	73.3	40%	0.397	35%	0.354	S	S	.	.	H	α-helix	trans	-75.6	-42.5	168.4	-78.4	-178.8	167.4	0	0	111.9	L141 Q147 R148	L141-E145 HydrophobicContact CD1-CG 4.2Å; L141-E145 HydrophobicContact CG-CG 4.32Å; L141-E145 VanDerWaalsContact O-CB 3.25Å; L141-E145 WeakPolarHBondContact O-CB 3.4Å; L141-E145 VanDerWaalsContact O-CG 3.25Å; L141-E145 WeakPolarHBondContact O-CG 3.41Å; L141-E145 PolarHBondContact O-N 3.16Å; E145-Q147 PolarHBondContact O-N 3.49Å; E145-R148 WeakPolarHBondContact O-CA 3.28Å; E145-R148 WeakPolarHBondContact O-CB 3.45Å; E145-R148 PolarHBondContact O-N 3.12Å
146	K	68.5	Low	67.1	Low	150 Å²	150	71.9 Å²	71.9	65%	0.652	36%	0.357	S	S	*	.	H	α-helix	trans	-58.6	-32.8	174	-75.8	175.5	-178.7	176.4	0	113	Q142 R148	Q142-K146 WeakPolarHBondContact O-CG 3.39Å; Q142-K146 PolarHBondContact O-N 2.88Å; Q142-K146 VanDerWaalsContact O-N 3.1Å; K146-R148 VanDerWaalsContact C-N 3.29Å
147	Q	63.3	Low	65.3	Low	50 Å²	50	77.4 Å²	77.4	23%	0.234	38%	0.381	C	S	.	.	H	α-helix	trans	-71.5	-23.2	174.8	-70.3	179.7	-0.8	0	0	112.8	Q143 E145 D149 R150 D151	Q143-Q147 WeakPolarHBondContact O-CG 3.23Å; Q143-Q147 PolarHBondContact O-N 2.89Å; E145-Q147 PolarHBondContact O-N 3.49Å; Q147-D149 VanDerWaalsContact C-N 3.3Å; Q147-D149 PolarHBondContact O-N 3.2Å; Q147-R150 PolarHBondContact O-N 2.89Å; Q147-D151 VanDerWaalsContact O-CG 3.23Å; Q147-D151 PolarHBondContact O-N 2.87Å
148	R	56.6	Low	63.6	Low	158 Å²	158	77 Å²	77	60%	0.596	38%	0.38	S	S	*	.	H	α-helix	trans	-62	-36	178.7	-162.8	-178.7	179.5	-176.4	-2	112.5	E145 K146	E145-R148 WeakPolarHBondContact O-CA 3.28Å; E145-R148 WeakPolarHBondContact O-CB 3.45Å; E145-R148 PolarHBondContact O-N 3.12Å; K146-R148 VanDerWaalsContact C-N 3.29Å
149	D	43.4	Very low	62.2	Low	137 Å²	137	77.5 Å²	77.5	73%	0.733	39%	0.386	S	S	*	.	H	α-helix	trans	-81.1	-24.2	-178.9	-66.1	-28.3	0	0	0	112.8	Q147 D151	Q147-D149 VanDerWaalsContact C-N 3.3Å; Q147-D149 PolarHBondContact O-N 3.2Å; D149-D151 VanDerWaalsContact C-N 3.31Å
150	R	47.3	Very low	61	Low	161 Å²	161	76.4 Å²	76.4	61%	0.608	38%	0.378	S	S	*	.	H	α-helix	trans	-77	-18.1	171.9	-69.5	-170.7	-179	-167.1	0.4	112.7	Q147 S152 E512	Q147-R150 PolarHBondContact O-N 2.89Å; R150-S152 PolarHBondContact O-N 3.5Å; R150-E512 IonicContact CZ-OE2 3.14Å; R150-E512 IonicContact NH1-OE2 3.59Å; R150-E512 PolarHBondContact NH1-OE2 2.85Å; R150-E512 IonicContact NH2-OE2 3.35Å; R150-E512 PolarHBondContact NH2-OE2 2.58Å
151	D	46.5	Very low	59.9	Low	27 Å²	27	80.1 Å²	80.1	14%	0.144	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-79	15.2	-178	-74.4	-19.7	0	0	0	113.5	Q147 D149 V153 S154 R232	Q147-D151 VanDerWaalsContact O-CG 3.23Å; Q147-D151 PolarHBondContact O-N 2.87Å; D149-D151 VanDerWaalsContact C-N 3.31Å; D151-V153 PolarHBondContact O-N 3.02Å; D151-V153 VanDerWaalsContact O-N 3.1Å; D151-S154 WeakPolarHBondContact CA-OG 3.06Å; D151-S154 VanDerWaalsContact CB-OG 3.25Å; D151-S154 WeakPolarHBondContact CB-OG 3.43Å; D151-S154 VanDerWaalsContact CG-OG 3.23Å; D151-S154 CarbonylContact O-C 3.43Å; D151-S154 VanDerWaalsContact O-C 3.32Å; D151-S154 PolarHBondContact O-N 3.36Å; D151-S154 PolarHBondContact OD1-OG 3.14Å; D151-R232 VanDerWaalsContact CG-NH1 3.33Å; D151-R232 IonicContact OD1-NH1 3.5Å; D151-R232 PolarHBondContact OD1-NH1 3.18Å; D151-R232 IonicContact OD2-NH1 3.62Å; D151-R232 PolarHBondContact OD2-NH1 2.98Å
152	S	42.8	Very low	58.8	Low	88 Å²	88	82.6 Å²	82.6	62%	0.615	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-59.5	-18.2	168.3	58.3	0	0	0	0	113	R150	R150-S152 PolarHBondContact O-N 3.5Å
153	V	41	Very low	58.6	Low	51 Å²	51	79 Å²	79	31%	0.309	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-94.5	-5.6	174.1	-171.6	0	0	0	0	112.3	D151 W408	D151-V153 PolarHBondContact O-N 3.02Å; D151-V153 VanDerWaalsContact O-N 3.1Å; V153-W408 HydrophobicContact CG1-CH2 3.92Å; V153-W408 VanDerWaalsContact O-CH2 3.26Å; V153-W408 WeakPolarHBondContact O-CH2 3.45Å; V153-W408 WeakPolarHBondContact O-CZ3 3.35Å
154	S	43.2	Very low	58.7	Low	50 Å²	50	76.3 Å²	76.3	35%	0.35	40%	0.397	S	S	.	.	S	Bend	trans	-134.9	93.9	179.1	62	0	0	0	0	112.1	D151 P156	D151-S154 WeakPolarHBondContact CA-OG 3.06Å; D151-S154 VanDerWaalsContact CB-OG 3.25Å; D151-S154 WeakPolarHBondContact CB-OG 3.43Å; D151-S154 VanDerWaalsContact CG-OG 3.23Å; D151-S154 CarbonylContact O-C 3.43Å; D151-S154 VanDerWaalsContact O-C 3.32Å; D151-S154 PolarHBondContact O-N 3.36Å; D151-S154 PolarHBondContact OD1-OG 3.14Å; S154-P156 WeakPolarHBondContact O-CD 3.43Å; S154-P156 VanDerWaalsContact O-N 3.16Å
155	C	49.3	Very low	59.2	Low	27 Å²	27	75.7 Å²	75.7	18%	0.182	40%	0.395	C	S	.	.			trans	19.2	76.5	165.1	-158.2	0	0	0	0	117.2	L158 F373 W408	C155-L158 VanDerWaalsContact SG-CD1 3.55Å; C155-F373 WeakPolarHBondContact SG-CE2 3.38Å; C155-W408 HydrophobicContact CB-CB 4.46Å
156	P	47	Very low	59.9	Low	80 Å²	80	72.1 Å²	72.1	52%	0.519	38%	0.379	S	S	.	.			trans	-93	14.1	-170.4	32	-31.4	0	0	0	116.4	S154	S154-P156 WeakPolarHBondContact O-CD 3.43Å; S154-P156 VanDerWaalsContact O-N 3.16Å
157	K	51.9	Low	60.8	Low	116 Å²	116	66.4 Å²	66.4	50%	0.504	35%	0.354	S	S	.	.			trans	-126.3	6.8	-167.1	-73	-174.8	178.3	176.9	0	118.3	H376	K157-H376 WeakPolarHBondContact CD-O 3.23Å; K157-H376 PolarHBondContact NZ-O 3.24Å
158	L	54.9	Low	61.9	Low	40 Å²	40	64.5 Å²	64.5	21%	0.209	35%	0.346	C	S	.	.			trans	-88.1	133.2	173.3	-73.2	119.1	0	0	0	112	C155 I160 F365 F373	C155-L158 VanDerWaalsContact SG-CD1 3.55Å; L158-I160 VanDerWaalsContact C-N 3.31Å; L158-I160 PolarHBondContact O-N 3.05Å; L158-F365 HydrophobicContact CD1-CE1 3.7Å; L158-F365 HydrophobicContact CD1-CE2 4.07Å; L158-F365 HydrophobicContact CD1-CZ 3.15Å; L158-F365 HydrophobicContact CD2-CD1 4.49Å; L158-F365 HydrophobicContact CD2-CE1 3.69Å; L158-F365 HydrophobicContact CD2-CZ 3.82Å; L158-F365 HydrophobicContact CG-CE1 4.28Å; L158-F365 HydrophobicContact CG-CZ 4.09Å; L158-F373 HydrophobicContact CD1-CD2 3.71Å; L158-F373 HydrophobicContact CD1-CE2 4.45Å; L158-F373 HydrophobicContact CD1-CG 4.48Å; L158-F373 HydrophobicContact CD2-CB 4.35Å; L158-F373 HydrophobicContact CG-CD2 4.36Å
159	N	60.3	Low	62.8	Low	103 Å²	103	64 Å²	64	55%	0.551	36%	0.355	S	S	*	.			trans	-71	87	172	-169.5	-0.9	0	0	0	109.7	S161 S162	N159-S161 PolarHBondContact O-N 3.48Å; N159-S161 VanDerWaalsContact OD1-CB 3.22Å; N159-S161 WeakPolarHBondContact OD1-CB 3.19Å; N159-S161 PolarHBondContact OD1-N 3.41Å; N159-S161 PolarHBondContact OD1-OG 3Å; N159-S162 PolarHBondContact O-N 3.33Å; N159-S162 PolarHBondContact O-OG 2.68Å
160	I	66.4	Low	64.6	Low	24 Å²	24	58.6 Å²	58.6	12%	0.123	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.2	177	-63.8	169.7	0	0	0	110.7	L158 S162 R163 T229 W230 H233	L158-I160 VanDerWaalsContact C-N 3.31Å; L158-I160 PolarHBondContact O-N 3.05Å; I160-S162 PolarHBondContact O-N 3.13Å; I160-S162 VanDerWaalsContact O-N 3.13Å; I160-R163 PolarHBondContact O-N 2.85Å; I160-T229 HydrophobicContact CD1-CG2 3.45Å; I160-T229 VanDerWaalsContact CD1-CG2 3.45Å; I160-W230 HydrophobicContact CG2-CD2 3.87Å; I160-W230 HydrophobicContact CG2-CE3 4.05Å; I160-W230 HydrophobicContact CG2-CG 4.38Å; I160-W230 HydrophobicContact CG2-CH2 4.32Å; I160-W230 HydrophobicContact CG2-CZ2 4.15Å; I160-W230 HydrophobicContact CG2-CZ3 4.27Å; I160-H233 HydrophobicContact CD1-CB 4.27Å; I160-H233 HydrophobicContact CG2-CB 4.34Å
161	S	64.1	Low	66.2	Low	78 Å²	78	52.2 Å²	52.2	55%	0.545	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-61.2	-22.2	-179.2	-14.9	0	0	0	0	113.9	N159 H233	N159-S161 PolarHBondContact O-N 3.48Å; N159-S161 VanDerWaalsContact OD1-CB 3.22Å; N159-S161 WeakPolarHBondContact OD1-CB 3.19Å; N159-S161 PolarHBondContact OD1-N 3.41Å; N159-S161 PolarHBondContact OD1-OG 3Å; S161-H233 PolarHBondContact OG-CE1 2.82Å
162	S	66.9	Low	67.8	Low	96 Å²	96	51.4 Å²	51.4	67%	0.671	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-93.1	2.6	175.9	65.2	0	0	0	0	113.9	N159 I160	N159-S162 PolarHBondContact O-N 3.33Å; N159-S162 PolarHBondContact O-OG 2.68Å; I160-S162 PolarHBondContact O-N 3.13Å; I160-S162 VanDerWaalsContact O-N 3.13Å
163	R	80.6	Confident	69.3	Low	40 Å²	40	52.8 Å²	52.8	15%	0.151	31%	0.307	C	S	.	.			trans	-105.4	154.1	-178.4	-63.7	178.6	67.5	99.5	-0.4	111.1	I160 W230 P363 G364 D369	I160-R163 PolarHBondContact O-N 2.85Å; R163-W230 HydrophobicContact CB-CH2 4.04Å; R163-W230 HydrophobicContact CB-CZ2 3.93Å; R163-P363 PolarHBondContact NH2-O 3.19Å; R163-G364 PolarHBondContact NH2-O 2.8Å; R163-D369 IonicContact CZ-OD2 2.74Å; R163-D369 IonicContact NH1-OD1 2.56Å; R163-D369 PolarHBondContact NH1-OD1 2.97Å; R163-D369 IonicContact NH1-OD2 2.98Å; R163-D369 PolarHBondContact NH1-OD2 3.42Å; R163-D369 IonicContact NH2-OD2 3.76Å
164	S	85.3	Confident	71	Confident	27 Å²	27	51.7 Å²	51.7	19%	0.189	30%	0.298	C	S	.	.			trans	-120	149.2	177.6	60.8	0	0	0	0	111.5	Q197 P363	S164-Q197 WeakPolarHBondContact OG-CG 3.33Å; S164-P363 WeakPolarHBondContact O-CG 3.42Å
165	L	89.5	Confident	72.7	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	156.7	167.1	-60.4	171.8	0	0	0	110.3	Q197 L198 L200 L203 T219 W230 T360 I362	L165-Q197 CarbonylContact O-C 3.55Å; L165-Q197 WeakPolarHBondContact O-CA 3.42Å; L165-L198 PolarHBondContact N-O 3.07Å; L165-L198 PolarHBondContact O-N 3.4Å; L165-L200 HydrophobicContact CD1-CD1 4.2Å; L165-L203 HydrophobicContact CD1-CD1 3.83Å; L165-L203 HydrophobicContact CD1-CD2 4.34Å; L165-T219 HydrophobicContact CD2-CG2 4.37Å; L165-W230 HydrophobicContact CD1-CZ3 4.48Å; L165-W230 HydrophobicContact CD2-CD2 4.19Å; L165-W230 HydrophobicContact CD2-CE3 3.89Å; L165-W230 HydrophobicContact CD2-CH2 3.92Å; L165-W230 HydrophobicContact CD2-CZ2 4.21Å; L165-W230 HydrophobicContact CD2-CZ3 3.76Å; L165-W230 HydrophobicContact CG-CE3 4.3Å; L165-W230 HydrophobicContact CG-CH2 4.13Å; L165-W230 HydrophobicContact CG-CZ3 3.81Å; L165-T360 HydrophobicContact CD1-CG2 4.45Å; L165-I362 HydrophobicContact CD2-CG1 3.63Å
166	L	88.4	Confident	74.2	Confident	11 Å²	11	51.6 Å²	51.6	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.8	172.2	-62.2	175.7	0	0	0	109.6	R192 L195 Q197 T360 E361 P363	L166-R192 HydrophobicContact CD1-CB 4.3Å; L166-L195 HydrophobicContact CB-CD1 4.38Å; L166-Q197 HydrophobicContact CD2-CG 4.18Å; L166-T360 CarbonylContact O-C 3.59Å; L166-T360 VanDerWaalsContact O-CA 3.24Å; L166-T360 WeakPolarHBondContact O-CA 3.49Å; L166-E361 HydrophobicContact CB-CB 4.39Å; L166-E361 PolarHBondContact N-O 3.45Å; L166-E361 PolarHBondContact O-N 3.36Å; L166-P363 HydrophobicContact CD1-CB 4.13Å; L166-P363 HydrophobicContact CG-CB 4.48Å; L166-P363 HydrophobicContact CG-CG 4.49Å
167	M	88.3	Confident	75.6	Confident	29 Å²	29	53.5 Å²	53.5	14%	0.143	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.3	173.9	-167.1	171.1	-72	0	0	110	R196 L198 L207	M167-R196 HydrophobicContact CB-CB 4.28Å; M167-R196 PolarHBondContact N-O 3.35Å; M167-L198 HydrophobicContact CE-CB 4.32Å; M167-L198 HydrophobicContact CE-CD1 3.76Å; M167-L198 HydrophobicContact CE-CD2 3.7Å; M167-L198 HydrophobicContact CE-CG 4.14Å; M167-L207 HydrophobicContact CE-CD1 3.32Å; M167-L207 HydrophobicContact CE-CD2 3.84Å; M167-L207 HydrophobicContact CE-CG 4.21Å; M167-L207 HydrophobicContact SD-CD1 3.58Å; M167-L207 VanDerWaalsContact SD-CD1 3.58Å
168	V	86	Confident	77	Confident	11 Å²	11	50.1 Å²	50.1	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.3	-178.4	-65.3	0	0	0	0	111	G170 L195 V359 E361	V168-G170 PolarHBondContact O-N 3.02Å; V168-L195 HydrophobicContact CG1-CD1 3.66Å; V168-V359 HydrophobicContact CG2-CB 3.72Å; V168-V359 HydrophobicContact CG2-CG1 3.4Å; V168-V359 PolarHBondContact N-O 3.45Å; V168-V359 VanDerWaalsContact N-O 3.11Å; V168-E361 HydrophobicContact CG1-CB 4.24Å
169	D	75.9	Confident	78.4	Confident	147 Å²	147	49 Å²	49	79%	0.786	27%	0.269	S	S	*	.	S	Bend	trans	-75.5	13.8	179	-64.1	-28.3	0	0	0	113.7
170	G	80.4	Confident	79.5	Confident	24 Å²	24	44.6 Å²	44.6	25%	0.247	25%	0.246	C	C	.	.	S	Bend	trans	120.9	169	-172.3	0	0	0	0	0	113.3	V168	V168-G170 PolarHBondContact O-N 3.02Å
171	L	82	Confident	80.2	Confident	27 Å²	27	43.9 Å²	43.9	14%	0.141	24%	0.242	C	C	.	.			trans	-78.2	132.2	-175.5	-54.9	175.1	0	0	0	111.2	Q176 V220 P345 A348 V359	L171-Q176 HydrophobicContact CB-CG 4.17Å; L171-Q176 PolarHBondContact O-NE2 3.33Å; L171-V220 HydrophobicContact CD1-CG1 4.42Å; L171-V220 HydrophobicContact CD2-CB 4.17Å; L171-V220 HydrophobicContact CD2-CG1 3.77Å; L171-V220 HydrophobicContact CD2-CG2 3.67Å; L171-P345 WeakPolarHBondContact CD1-O 3.48Å; L171-A348 HydrophobicContact CD1-CB 3.71Å; L171-V359 HydrophobicContact CD2-CG1 4.4Å
172	S	78.8	Confident	80.9	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.063	22%	0.218	C	C	.	.			trans	-78.9	155.8	175.7	63.7	0	0	0	0	112.6	F174 Q175 Q176 D734	S172-F174 PolarHBondContact O-N 3.22Å; S172-F174 VanDerWaalsContact O-N 3.12Å; S172-Q175 PolarHBondContact O-N 3.09Å; S172-Q175 WeakPolarHBondContact OG-CG 3.21Å; S172-Q175 PolarHBondContact OG-N 3.42Å; S172-Q176 WeakPolarHBondContact O-CG 3.21Å; S172-Q176 PolarHBondContact O-N 2.88Å; S172-D734 WeakPolarHBondContact CB-OD1 3.15Å; S172-D734 WeakPolarHBondContact CB-OD2 3.4Å; S172-D734 PolarHBondContact OG-OD1 2.96Å; S172-D734 PolarHBondContact OG-OD2 3.37Å; S172-D734 VanDerWaalsContact OG-OD2 3.09Å
173	D	75.2	Confident	81.6	Confident	117 Å²	117	36.6 Å²	36.6	63%	0.626	19%	0.189	S	C	*	.	H	α-helix	trans	-53.2	-35	175.6	-66.1	-6.4	0	0	0	111.8	Q176 K177	D173-Q176 PolarHBondContact O-N 2.88Å; D173-K177 PolarHBondContact O-N 3.49Å
174	F	76.8	Confident	81.5	Confident	29 Å²	29	35 Å²	35	13%	0.127	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-47.9	174.3	173.6	-100.9	0	0	0	111.7	S172 Q176 E178 Q183 V186 L631 Y707	S172-F174 PolarHBondContact O-N 3.22Å; S172-F174 VanDerWaalsContact O-N 3.12Å; F174-Q176 VanDerWaalsContact C-N 3.26Å; F174-Q176 PolarHBondContact O-N 3.32Å; F174-E178 HydrophobicContact CD2-CB 4.25Å; F174-E178 HydrophobicContact CD2-CG 3.58Å; F174-E178 HydrophobicContact CE2-CB 4.03Å; F174-E178 HydrophobicContact CE2-CG 3.7Å; F174-E178 HydrophobicContact CG-CG 4.35Å; F174-E178 HydrophobicContact CZ-CB 4.44Å; F174-E178 WeakPolarHBondContact O-CB 3.46Å; F174-E178 VanDerWaalsContact O-CG 3.25Å; F174-E178 WeakPolarHBondContact O-CG 3.36Å; F174-E178 PolarHBondContact O-N 3.09Å; F174-Q183 HydrophobicContact CE1-CB 4.21Å; F174-Q183 HydrophobicContact CE1-CG 4.13Å; F174-Q183 HydrophobicContact CZ-CG 4.42Å; F174-V186 HydrophobicContact CE1-CB 4.09Å; F174-V186 HydrophobicContact CE1-CG1 4.09Å; F174-V186 HydrophobicContact CE1-CG2 4.11Å; F174-V186 HydrophobicContact CE2-CG2 4.23Å; F174-V186 HydrophobicContact CZ-CB 4Å; F174-V186 HydrophobicContact CZ-CG1 4.32Å; F174-V186 HydrophobicContact CZ-CG2 3.5Å; F174-L631 HydrophobicContact CD2-CD1 3.92Å; F174-L631 HydrophobicContact CE2-CD1 3.68Å; F174-Y707 HydrophobicContact CE2-CE1 4.48Å; F174-Y707 WeakPolarHBondContact CE2-OH 3.33Å
175	Q	79.2	Confident	81.1	Confident	5 Å²	5	33.9 Å²	33.9	2%	0.023	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-29.2	177.8	-70.1	178.5	-52.5	0	0	113	S172 Q183 P345 E361	S172-Q175 PolarHBondContact O-N 3.09Å; S172-Q175 WeakPolarHBondContact OG-CG 3.21Å; S172-Q175 PolarHBondContact OG-N 3.42Å; Q175-Q183 PolarHBondContact O-NE2 3.44Å; Q175-P345 HydrophobicContact CB-CB 3.97Å; Q175-P345 VanDerWaalsContact O-CB 3.28Å; Q175-P345 WeakPolarHBondContact O-CB 3.42Å; Q175-E361 PolarHBondContact NE2-OE2 3.28Å
176	Q	81.1	Confident	80.2	Confident	70 Å²	70	34.9 Å²	34.9	33%	0.327	18%	0.182	S	C	.	.	H	α-helix	trans	-75.8	-36.9	-178	-65.2	174.2	26.8	0	0	112.9	L171 S172 D173 F174	L171-Q176 HydrophobicContact CB-CG 4.17Å; L171-Q176 PolarHBondContact O-NE2 3.33Å; S172-Q176 WeakPolarHBondContact O-CG 3.21Å; S172-Q176 PolarHBondContact O-N 2.88Å; D173-Q176 PolarHBondContact O-N 2.88Å; F174-Q176 VanDerWaalsContact C-N 3.26Å; F174-Q176 PolarHBondContact O-N 3.32Å
177	K	76.6	Confident	79.3	Confident	120 Å²	120	34.9 Å²	34.9	52%	0.522	18%	0.183	S	C	.	.	H	α-helix	trans	-104.7	-18.4	-168.2	-65.3	-177.9	179.2	-179.2	0	114.7	D173 D575	D173-K177 PolarHBondContact O-N 3.49Å; K177-D575 CarbonylContact O-C 3.47Å; K177-D575 VanDerWaalsContact O-O 3.09Å
178	E	80.3	Confident	78.6	Confident	44 Å²	44	34.1 Å²	34.1	21%	0.206	18%	0.178	C	C	.	.	S	Bend	trans	-101	150	-168.5	-61.4	-63.8	155.4	0	0	112.9	F174 Q183 L631	F174-E178 HydrophobicContact CD2-CB 4.25Å; F174-E178 HydrophobicContact CD2-CG 3.58Å; F174-E178 HydrophobicContact CE2-CB 4.03Å; F174-E178 HydrophobicContact CE2-CG 3.7Å; F174-E178 HydrophobicContact CG-CG 4.35Å; F174-E178 HydrophobicContact CZ-CB 4.44Å; F174-E178 WeakPolarHBondContact O-CB 3.46Å; F174-E178 VanDerWaalsContact O-CG 3.25Å; F174-E178 WeakPolarHBondContact O-CG 3.36Å; F174-E178 PolarHBondContact O-N 3.09Å; E178-Q183 HydrophobicContact CB-CG 4.36Å; E178-Q183 PolarHBondContact O-NE2 3.4Å; E178-L631 HydrophobicContact CG-CD1 3.59Å; E178-L631 VanDerWaalsContact OE1-CD1 3.23Å; E178-L631 WeakPolarHBondContact OE1-CD1 3.25Å; E178-L631 WeakPolarHBondContact OE2-CB 3.44Å; E178-L631 VanDerWaalsContact OE2-CD1 3.25Å; E178-L631 WeakPolarHBondContact OE2-CD1 3.22Å
179	H	83.9	Confident	77.5	Confident	18 Å²	18	33.7 Å²	33.7	8%	0.083	18%	0.176	C	C	.	.			trans	-62.6	143.6	179.2	-174	-87.8	0	0	0	112.5	L181 M182 Q183 E528	H179-L181 VanDerWaalsContact C-N 3.33Å; H179-L181 PolarHBondContact ND1-N 3.01Å; H179-L181 PolarHBondContact O-N 2.82Å; H179-L181 VanDerWaalsContact O-N 3.15Å; H179-M182 HydrophobicContact CB-CG 4.47Å; H179-M182 WeakPolarHBondContact O-CA 3.42Å; H179-M182 WeakPolarHBondContact O-CB 3.45Å; H179-M182 PolarHBondContact O-N 3.39Å; H179-Q183 PolarHBondContact O-N 3.1Å; H179-E528 IonicContact CD2-OE1 3.79Å; H179-E528 IonicContact NE2-OE1 3.34Å; H179-E528 PolarHBondContact NE2-OE1 3.44Å; H179-E528 IonicContact NE2-OE2 3.91Å; H179-E528 PolarHBondContact NE2-OE2 2.9Å
180	D	82.9	Confident	76.8	Confident	10 Å²	10	28.2 Å²	28.2	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-44.8	-48.5	-177.2	-78.7	-9.3	0	0	0	114.2	M182 Q183 V184 V222 A223 R344	D180-M182 VanDerWaalsContact C-N 3.3Å; D180-M182 PolarHBondContact O-N 2.92Å; D180-Q183 PolarHBondContact O-N 2.83Å; D180-V184 PolarHBondContact O-N 3.05Å; D180-V222 HydrophobicContact CB-CB 3.76Å; D180-V222 HydrophobicContact CB-CG1 4.02Å; D180-A223 WeakPolarHBondContact OD2-CB 3.26Å; D180-A223 PolarHBondContact OD2-N 3.23Å; D180-R344 WeakPolarHBondContact OD2-CD 3.4Å; D180-R344 IonicContact OD2-NH1 2.82Å; D180-R344 PolarHBondContact OD2-NH1 2.84Å
181	L	82	Confident	75.8	Confident	8 Å²	8	31.4 Å²	31.4	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-36	178.2	-72.7	175.5	0	0	0	113.5	H179 G185 M400 I403 I406 T525 L580	H179-L181 VanDerWaalsContact C-N 3.33Å; H179-L181 PolarHBondContact ND1-N 3.01Å; H179-L181 PolarHBondContact O-N 2.82Å; H179-L181 VanDerWaalsContact O-N 3.15Å; L181-G185 PolarHBondContact O-N 3.17Å; L181-G185 VanDerWaalsContact O-N 3.13Å; L181-M400 HydrophobicContact CD2-CG 4Å; L181-I403 HydrophobicContact CD2-CD1 3.82Å; L181-I406 HydrophobicContact CD2-CD1 3.68Å; L181-T525 HydrophobicContact CD1-CG2 4.06Å; L181-T525 HydrophobicContact CG-CG2 4.3Å; L181-L580 HydrophobicContact CD1-CD1 3.77Å; L181-L580 HydrophobicContact CD1-CD2 3.58Å; L181-L580 HydrophobicContact CD1-CG 4.3Å
182	M	78.3	Confident	75	Confident	9 Å²	9	30.8 Å²	30.8	4%	0.044	16%	0.155	C	C	.	.	H	α-helix	trans	-70	-41	178.9	-61.8	-55.8	-63	0	0	110	H179 D180 V184 G185 V186 R583 L631 Y638 H678	H179-M182 HydrophobicContact CB-CG 4.47Å; H179-M182 WeakPolarHBondContact O-CA 3.42Å; H179-M182 WeakPolarHBondContact O-CB 3.45Å; H179-M182 PolarHBondContact O-N 3.39Å; D180-M182 VanDerWaalsContact C-N 3.3Å; D180-M182 PolarHBondContact O-N 2.92Å; M182-V184 VanDerWaalsContact C-N 3.32Å; M182-V184 PolarHBondContact O-N 3.39Å; M182-G185 PolarHBondContact O-N 3.44Å; M182-V186 VanDerWaalsContact O-CG2 3.24Å; M182-V186 WeakPolarHBondContact O-CG2 3.25Å; M182-V186 PolarHBondContact O-N 2.56Å; M182-R583 PolarHBondContact SD-NH2 3.46Å; M182-L631 HydrophobicContact CE-CD2 3.77Å; M182-Y638 HydrophobicContact CE-CE2 3.86Å; M182-Y638 HydrophobicContact SD-CE2 3.88Å; M182-H678 WeakPolarHBondContact CE-ND1 3.21Å
183	Q	81.2	Confident	73.8	Confident	12 Å²	12	35.7 Å²	35.7	6%	0.056	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-42.2	-180	-57.9	-169.7	35.3	0	0	112.8	F174 Q175 E178 H179 D180 T187 V222	F174-Q183 HydrophobicContact CE1-CB 4.21Å; F174-Q183 HydrophobicContact CE1-CG 4.13Å; F174-Q183 HydrophobicContact CZ-CG 4.42Å; Q175-Q183 PolarHBondContact O-NE2 3.44Å; E178-Q183 HydrophobicContact CB-CG 4.36Å; E178-Q183 PolarHBondContact O-NE2 3.4Å; H179-Q183 PolarHBondContact O-N 3.1Å; D180-Q183 PolarHBondContact O-N 2.83Å; Q183-T187 PolarHBondContact O-N 3.02Å; Q183-T187 PolarHBondContact O-OG1 3.1Å; Q183-V222 HydrophobicContact CB-CG1 4.08Å
184	V	80	Confident	73.3	Confident	7 Å²	7	34 Å²	34	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-77.5	-34.8	-179.6	-170.7	0	0	0	0	112.3	D180 M182 V186 T187 R188 V222 Y402 I403	D180-V184 PolarHBondContact O-N 3.05Å; M182-V184 VanDerWaalsContact C-N 3.32Å; M182-V184 PolarHBondContact O-N 3.39Å; V184-V186 PolarHBondContact O-N 2.84Å; V184-T187 PolarHBondContact O-N 3.18Å; V184-T187 PolarHBondContact O-OG1 2.8Å; V184-R188 PolarHBondContact O-N 2.82Å; V184-V222 HydrophobicContact CG2-CB 4.19Å; V184-V222 HydrophobicContact CG2-CG1 3.86Å; V184-V222 HydrophobicContact CG2-CG2 3.32Å; V184-Y402 HydrophobicContact CG1-CD2 4.39Å; V184-Y402 HydrophobicContact CG1-CG 4.28Å; V184-I403 HydrophobicContact CB-CG1 4.23Å; V184-I403 HydrophobicContact CG1-CG1 4.24Å; V184-I403 HydrophobicContact CG2-CD1 4.15Å; V184-I403 HydrophobicContact CG2-CG1 3.93Å
185	G	75.4	Confident	73.1	Confident	4 Å²	4	34.2 Å²	34.2	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-38.6	174.6	0	0	0	0	0	112.7	L181 M182 R188	L181-G185 PolarHBondContact O-N 3.17Å; L181-G185 VanDerWaalsContact O-N 3.13Å; M182-G185 PolarHBondContact O-N 3.44Å; G185-R188 WeakPolarHBondContact O-CG 3.25Å; G185-R188 PolarHBondContact O-N 3.38Å
186	V	71.4	Confident	73.1	Confident	21 Å²	21	37.7 Å²	37.7	13%	0.127	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-45.1	177.5	163.9	0	0	0	0	112.5	F174 M182 V184 R188 Y707	F174-V186 HydrophobicContact CE1-CB 4.09Å; F174-V186 HydrophobicContact CE1-CG1 4.09Å; F174-V186 HydrophobicContact CE1-CG2 4.11Å; F174-V186 HydrophobicContact CE2-CG2 4.23Å; F174-V186 HydrophobicContact CZ-CB 4Å; F174-V186 HydrophobicContact CZ-CG1 4.32Å; F174-V186 HydrophobicContact CZ-CG2 3.5Å; M182-V186 VanDerWaalsContact O-CG2 3.24Å; M182-V186 WeakPolarHBondContact O-CG2 3.25Å; M182-V186 PolarHBondContact O-N 2.56Å; V184-V186 PolarHBondContact O-N 2.84Å; V186-R188 VanDerWaalsContact C-N 3.29Å; V186-Y707 HydrophobicContact CB-CD1 4.02Å; V186-Y707 HydrophobicContact CB-CE1 3.77Å; V186-Y707 HydrophobicContact CG1-CD1 3.63Å; V186-Y707 HydrophobicContact CG1-CE1 3.43Å; V186-Y707 VanDerWaalsContact CG1-CE1 3.43Å; V186-Y707 HydrophobicContact CG2-CD1 3.48Å; V186-Y707 VanDerWaalsContact CG2-CD1 3.48Å; V186-Y707 HydrophobicContact CG2-CE1 3Å
187	T	70.6	Confident	73.3	Confident	11 Å²	11	41 Å²	41	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-82.5	-9.4	-179.6	58.1	0	0	0	0	112.6	Q183 V184 G189 G190 R191	Q183-T187 PolarHBondContact O-N 3.02Å; Q183-T187 PolarHBondContact O-OG1 3.1Å; V184-T187 PolarHBondContact O-N 3.18Å; V184-T187 PolarHBondContact O-OG1 2.8Å; T187-G189 PolarHBondContact O-N 3.29Å; T187-G189 VanDerWaalsContact O-N 3.12Å; T187-G190 PolarHBondContact O-N 2.82Å; T187-R191 WeakPolarHBondContact O-CB 3.3Å; T187-R191 PolarHBondContact O-N 3.36Å
188	R	72.2	Confident	73.8	Confident	13 Å²	13	35.4 Å²	35.4	5%	0.049	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	37	-175.6	-59	-176.4	177.8	166.6	1	113.1	V184 G185 V186 G190 R191 Y402 S680 P681 S684 E685	V184-R188 PolarHBondContact O-N 2.82Å; G185-R188 WeakPolarHBondContact O-CG 3.25Å; G185-R188 PolarHBondContact O-N 3.38Å; V186-R188 VanDerWaalsContact C-N 3.29Å; R188-G190 PolarHBondContact O-N 3.48Å; R188-R191 HydrophobicContact CB-CG 4.36Å; R188-R191 VanDerWaalsContact NH1-NH1 3.13Å; R188-Y402 VanDerWaalsContact CA-CE2 3.47Å; R188-Y402 HydrophobicContact CB-CE2 3.94Å; R188-Y402 HydrophobicContact CG-CE2 4.15Å; R188-S680 PolarHBondContact NH2-O 2.94Å; R188-P681 VanDerWaalsContact CZ-CA 3.42Å; R188-P681 VanDerWaalsContact NH1-CA 3.29Å; R188-P681 PolarHBondContact NH1-O 2.94Å; R188-P681 VanDerWaalsContact NH1-O 3.17Å; R188-P681 VanDerWaalsContact NH2-CA 3.31Å; R188-S684 VanDerWaalsContact CZ-OG 3.31Å; R188-S684 PolarHBondContact NH2-OG 2.97Å; R188-E685 IonicContact NH1-OE1 2.88Å
189	G	62.5	Low	74	Confident	2 Å²	2	34.9 Å²	34.9	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	19.2	-175.9	0	0	0	0	0	116	T187 G364 F365 S366	T187-G189 PolarHBondContact O-N 3.29Å; T187-G189 VanDerWaalsContact O-N 3.12Å; G189-G364 CarbonylContact O-C 3.45Å; G189-G364 VanDerWaalsContact O-C 3.28Å; G189-F365 WeakPolarHBondContact CA-O 3.45Å; G189-S366 PolarHBondContact O-N 3.16Å
190	G	62	Low	74.1	Confident	32 Å²	32	34.8 Å²	34.8	33%	0.33	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	170.4	-0.3	173	0	0	0	0	0	118.7	T187 R188 R192	T187-G190 PolarHBondContact O-N 2.82Å; R188-G190 PolarHBondContact O-N 3.48Å; G190-R192 PolarHBondContact O-N 2.9Å
191	R	59.3	Low	74.1	Confident	91 Å²	91	35.9 Å²	35.9	34%	0.343	19%	0.192	S	C	.	.			trans	-79.1	60.5	-174.9	-69.2	-167.4	-179	-163.4	-1.8	114.2	T187 R188 E685 H736	T187-R191 WeakPolarHBondContact O-CB 3.3Å; T187-R191 PolarHBondContact O-N 3.36Å; R188-R191 HydrophobicContact CB-CG 4.36Å; R188-R191 VanDerWaalsContact NH1-NH1 3.13Å; R191-E685 IonicContact CZ-OE1 3.09Å; R191-E685 VanDerWaalsContact NH1-CG 3.3Å; R191-E685 IonicContact NH1-OE1 3.7Å; R191-E685 PolarHBondContact NH1-OE1 3.39Å; R191-E685 IonicContact NH2-OE1 2.78Å; R191-E685 PolarHBondContact NH2-OE1 3.22Å; R191-H736 PolarHBondContact O-CD2 3Å
192	R	65.3	Low	74.4	Confident	15 Å²	15	39.5 Å²	39.5	6%	0.057	21%	0.207	C	C	.	.			trans	-124.3	55.6	164.9	-66.2	-165.1	178.4	162.9	1.5	111.2	L166 G190 H194 L195 E361 D734	L166-R192 HydrophobicContact CD1-CB 4.3Å; G190-R192 PolarHBondContact O-N 2.9Å; R192-H194 PolarHBondContact O-N 3.27Å; R192-L195 HydrophobicContact CB-CB 4.34Å; R192-L195 HydrophobicContact CB-CD1 3.72Å; R192-L195 HydrophobicContact CB-CG 3.94Å; R192-L195 HydrophobicContact CG-CD1 4.2Å; R192-L195 WeakPolarHBondContact O-CB 3.34Å; R192-L195 PolarHBondContact O-N 3.4Å; R192-E361 IonicContact CZ-OE2 2.78Å; R192-E361 IonicContact NH1-OE1 3.06Å; R192-E361 IonicContact NH1-OE2 2.6Å; R192-E361 PolarHBondContact NH1-OE2 2.86Å; R192-E361 IonicContact NH2-OE2 3.63Å; R192-D734 IonicContact NH2-OD1 3.03Å
193	N	54.4	Low	74.9	Confident	112 Å²	112	39.1 Å²	39.1	60%	0.599	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.5	-175.3	-53.5	23.7	0	0	0	114.8	R738	N193-R738 VanDerWaalsContact CG-NH2 3.26Å; N193-R738 PolarHBondContact ND2-NH2 3.26Å
194	H	64.5	Low	75.3	Confident	80 Å²	80	38.6 Å²	38.6	37%	0.37	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-15.7	174.1	63.4	-90.7	0	0	0	112.5	R192 T764	R192-H194 PolarHBondContact O-N 3.27Å; H194-T764 HydrophobicContact CB-CG2 4.11Å
195	L	72	Confident	75.6	Confident	35 Å²	35	41.9 Å²	41.9	18%	0.183	22%	0.218	C	C	.	.	S	Bend	trans	-83.7	145.5	176.9	-64	-176.7	0	0	0	110.7	L166 V168 R192	L166-L195 HydrophobicContact CB-CD1 4.38Å; V168-L195 HydrophobicContact CG1-CD1 3.66Å; R192-L195 HydrophobicContact CB-CB 4.34Å; R192-L195 HydrophobicContact CB-CD1 3.72Å; R192-L195 HydrophobicContact CB-CG 3.94Å; R192-L195 HydrophobicContact CG-CD1 4.2Å; R192-L195 WeakPolarHBondContact O-CB 3.34Å; R192-L195 PolarHBondContact O-N 3.4Å
196	R	78.6	Confident	76.1	Confident	78 Å²	78	44 Å²	44	29%	0.294	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-70	130.5	177	-172.3	178.8	-175.7	-177.9	5.1	110.1	Y24 D26 M167	Y24-R196 VanDerWaalsContact CD1-NH1 3.28Å; D26-R196 IonicContact OD1-NH2 3.8Å; M167-R196 HydrophobicContact CB-CB 4.28Å; M167-R196 PolarHBondContact N-O 3.35Å
197	Q	85.6	Confident	76.6	Confident	139 Å²	139	44.1 Å²	44.1	65%	0.65	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.9	169.2	-70.8	-178.2	-5.9	0	0	110	S164 L165 L166	S164-Q197 WeakPolarHBondContact OG-CG 3.33Å; L165-Q197 CarbonylContact O-C 3.55Å; L165-Q197 WeakPolarHBondContact O-CA 3.42Å; L166-Q197 HydrophobicContact CD2-CG 4.18Å
198	L	86.7	Confident	77	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.5	179.5	-169.2	71.1	0	0	0	109.4	L165 M167 K202 L203 L207 T360	L165-L198 PolarHBondContact N-O 3.07Å; L165-L198 PolarHBondContact O-N 3.4Å; M167-L198 HydrophobicContact CE-CB 4.32Å; M167-L198 HydrophobicContact CE-CD1 3.76Å; M167-L198 HydrophobicContact CE-CD2 3.7Å; M167-L198 HydrophobicContact CE-CG 4.14Å; L198-K202 HydrophobicContact CD1-CB 3.6Å; L198-K202 HydrophobicContact CG-CB 4.23Å; L198-L203 HydrophobicContact CD2-CD1 4.12Å; L198-L207 HydrophobicContact CD1-CD2 3.88Å; L198-T360 HydrophobicContact CD2-CG2 4.04Å
199	G	85.7	Confident	77.2	Confident	34 Å²	34	52.8 Å²	52.8	35%	0.351	26%	0.263	S	S	.	.			trans	-69.1	151.6	170.5	0	0	0	0	0	111.1	A201 K202	G199-A201 PolarHBondContact O-N 2.73Å; G199-K202 PolarHBondContact O-N 3.4Å
200	L	85.8	Confident	77.8	Confident	15 Å²	15	58.7 Å²	58.7	8%	0.079	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-58.4	-34.6	-177.3	-167.3	59.2	0	0	0	113.1	L165 K202 L203 W230 F234 W340	L165-L200 HydrophobicContact CD1-CD1 4.2Å; L200-K202 VanDerWaalsContact C-N 3.25Å; L200-K202 PolarHBondContact O-N 2.89Å; L200-L203 HydrophobicContact CD1-CD2 4.08Å; L200-L203 WeakPolarHBondContact O-CB 3.41Å; L200-L203 PolarHBondContact O-N 3.22Å; L200-W230 HydrophobicContact CB-CZ3 4.32Å; L200-W230 HydrophobicContact CD1-CE3 3.95Å; L200-W230 HydrophobicContact CD1-CZ3 4.22Å; L200-W230 HydrophobicContact CD2-CE3 4.19Å; L200-W230 HydrophobicContact CD2-CZ3 4.45Å; L200-F234 HydrophobicContact CD2-CB 3.98Å; L200-F234 HydrophobicContact CD2-CD2 4.33Å; L200-F234 HydrophobicContact CG-CD2 4.14Å; L200-W340 HydrophobicContact CD1-CH2 4.31Å
201	A	82.9	Confident	78.5	Confident	33 Å²	33	58.7 Å²	58.7	27%	0.273	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-58.9	-35.4	175.6	0	0	0	0	0	113.1	G199 L203 M243	G199-A201 PolarHBondContact O-N 2.73Å; A201-L203 VanDerWaalsContact C-N 3.27Å; A201-L203 PolarHBondContact O-N 3.4Å; A201-M243 HydrophobicContact CB-CE 3.78Å; A201-M243 HydrophobicContact CB-SD 3.79Å
202	K	87.6	Confident	79.7	Confident	85 Å²	85	61.6 Å²	61.6	37%	0.37	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-86	2.3	-176.8	-61.9	-167.9	173.4	-173.1	0	112.9	L198 G199 L200 F204 E205 R358	L198-K202 HydrophobicContact CD1-CB 3.6Å; L198-K202 HydrophobicContact CG-CB 4.23Å; G199-K202 PolarHBondContact O-N 3.4Å; L200-K202 VanDerWaalsContact C-N 3.25Å; L200-K202 PolarHBondContact O-N 2.89Å; K202-F204 PolarHBondContact O-N 2.87Å; K202-E205 PolarHBondContact O-N 3.3Å; K202-R358 PolarHBondContact O-NH1 2.99Å
203	L	89.3	Confident	80.7	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-60	-34.6	-172.3	-172.9	60.6	0	0	0	112.2	L165 L198 L200 A201 T217 W340 R358 T360	L165-L203 HydrophobicContact CD1-CD1 3.83Å; L165-L203 HydrophobicContact CD1-CD2 4.34Å; L198-L203 HydrophobicContact CD2-CD1 4.12Å; L200-L203 HydrophobicContact CD1-CD2 4.08Å; L200-L203 WeakPolarHBondContact O-CB 3.41Å; L200-L203 PolarHBondContact O-N 3.22Å; A201-L203 VanDerWaalsContact C-N 3.27Å; A201-L203 PolarHBondContact O-N 3.4Å; L203-T217 HydrophobicContact CD1-CG2 3.58Å; L203-T217 HydrophobicContact CD2-CG2 4.4Å; L203-T217 HydrophobicContact CG-CG2 3.9Å; L203-W340 HydrophobicContact CD2-CD2 4.14Å; L203-W340 HydrophobicContact CD2-CH2 4.4Å; L203-W340 HydrophobicContact CD2-CZ2 3.88Å; L203-R358 VanDerWaalsContact C-NH1 3.33Å; L203-R358 WeakPolarHBondContact O-CD 3.37Å; L203-R358 PolarHBondContact O-NH1 3.44Å; L203-T360 HydrophobicContact CD1-CG2 3.73Å
204	F	89.6	Confident	82.4	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.009	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-112.2	7.1	-176.9	-49.2	-67.4	0	0	0	113.6	K202 F234 I247 R289 L291 W340	K202-F204 PolarHBondContact O-N 2.87Å; F204-F234 HydrophobicContact CD2-CE2 4.43Å; F204-F234 HydrophobicContact CD2-CZ 4.46Å; F204-F234 AromaticContact CE2-CE2 3.82Å; F204-F234 HydrophobicContact CE2-CE2 3.82Å; F204-F234 AromaticContact CE2-CZ 3.81Å; F204-F234 HydrophobicContact CE2-CZ 3.81Å; F204-I247 HydrophobicContact CB-CD1 4.48Å; F204-I247 HydrophobicContact CD2-CD1 3.94Å; F204-I247 HydrophobicContact CG-CD1 4.36Å; F204-R289 PolarHBondContact O-NH2 3.01Å; F204-L291 HydrophobicContact CD1-CD1 4.28Å; F204-L291 HydrophobicContact CD2-CD2 4.33Å; F204-L291 HydrophobicContact CE1-CD1 3.78Å; F204-L291 HydrophobicContact CE1-CD2 4.36Å; F204-L291 HydrophobicContact CE2-CD2 3.65Å; F204-L291 HydrophobicContact CZ-CD1 3.89Å; F204-L291 HydrophobicContact CZ-CD2 3.66Å; F204-L291 HydrophobicContact CZ-CG 4.45Å; F204-W340 HydrophobicContact CE1-CB 3.95Å; F204-W340 HydrophobicContact CE1-CG 4.19Å; F204-W340 HydrophobicContact CZ-CB 3.99Å; F204-W340 AromaticContact CZ-CD2 3.95Å; F204-W340 HydrophobicContact CZ-CD2 3.95Å; F204-W340 AromaticContact CZ-CE3 3.92Å; F204-W340 HydrophobicContact CZ-CE3 3.92Å; F204-W340 AromaticContact CZ-CG 3.99Å; F204-W340 HydrophobicContact CZ-CG 3.99Å
205	E	86.7	Confident	83.8	Confident	75 Å²	75	57.5 Å²	57.5	35%	0.35	30%	0.297	S	S	.	.	S	Bend	trans	-91.9	150.1	179.4	-68.8	-178.9	174.2	0	0	111.5	K202 R358	K202-E205 PolarHBondContact O-N 3.3Å; E205-R358 PolarHBondContact O-NH1 3.02Å; E205-R358 VanDerWaalsContact O-NH1 3.1Å; E205-R358 PolarHBondContact O-NH2 2.97Å
206	P	85.8	Confident	84.9	Confident	48 Å²	48	55.9 Å²	55.9	31%	0.312	29%	0.288	S	S	.	.			trans	-63.9	136.1	169.3	28	-32.9	0	0	0	110.5	S211	P206-S211 WeakPolarHBondContact CB-O 3.22Å
207	L	81.9	Confident	85.7	Confident	24 Å²	24	52.2 Å²	52.2	13%	0.126	27%	0.274	C	S	.	.	S	Bend	trans	-85.5	-16.1	-176	-61.5	172.4	0	0	0	113.5	Y24 M167 L198 S211	Y24-L207 HydrophobicContact CD1-CB 4.36Å; Y24-L207 HydrophobicContact CE1-CB 3.95Å; M167-L207 HydrophobicContact CE-CD1 3.32Å; M167-L207 HydrophobicContact CE-CD2 3.84Å; M167-L207 HydrophobicContact CE-CG 4.21Å; M167-L207 HydrophobicContact SD-CD1 3.58Å; M167-L207 VanDerWaalsContact SD-CD1 3.58Å; L198-L207 HydrophobicContact CD1-CD2 3.88Å; L207-S211 PolarHBondContact N-OG 3.03Å
208	T	79.4	Confident	86.2	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.037	25%	0.245	C	C	.	.	S	Bend	trans	-142	163.9	179.9	65	0	0	0	0	109.5	Y24 V210 S211	Y24-T208 HydrophobicContact CD1-CG2 3.24Å; Y24-T208 HydrophobicContact CE1-CG2 3.43Å; Y24-T208 VanDerWaalsContact CE1-CG2 3.43Å; Y24-T208 HydrophobicContact CG-CG2 4.05Å; T208-V210 PolarHBondContact O-N 2.92Å; T208-V210 VanDerWaalsContact O-N 3.16Å; T208-S211 PolarHBondContact N-OG 3.31Å; T208-S211 PolarHBondContact O-N 2.94Å; T208-S211 PolarHBondContact O-OG 3.16Å; T208-S211 VanDerWaalsContact OG1-CB 3.26Å; T208-S211 WeakPolarHBondContact OG1-CB 3.42Å; T208-S211 PolarHBondContact OG1-N 3.07Å; T208-S211 PolarHBondContact OG1-OG 3.47Å
209	R	75.3	Confident	86.7	Confident	201 Å²	201	45.8 Å²	45.8	76%	0.758	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.6	175.8	-66.8	-177.9	-177.9	-172.5	-0	114.4	L27	L27-R209 HydrophobicContact CD2-CG 3.93Å; L27-R209 HydrophobicContact CG-CG 4.43Å
210	V	75.1	Confident	87.1	Confident	125 Å²	125	44.2 Å²	44.2	76%	0.758	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	-9.7	-177.8	-82.9	0	0	0	0	113.3	T208	T208-V210 PolarHBondContact O-N 2.92Å; T208-V210 VanDerWaalsContact O-N 3.16Å
211	S	77.9	Confident	87.4	Confident	32 Å²	32	43.7 Å²	43.7	22%	0.224	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-84.9	139.4	176	56.9	0	0	0	0	110.7	P206 L207 T208	P206-S211 WeakPolarHBondContact CB-O 3.22Å; L207-S211 PolarHBondContact N-OG 3.03Å; T208-S211 PolarHBondContact N-OG 3.31Å; T208-S211 PolarHBondContact O-N 2.94Å; T208-S211 PolarHBondContact O-OG 3.16Å; T208-S211 VanDerWaalsContact OG1-CB 3.26Å; T208-S211 WeakPolarHBondContact OG1-CB 3.42Å; T208-S211 PolarHBondContact OG1-N 3.07Å; T208-S211 PolarHBondContact OG1-OG 3.47Å
212	L	83.5	Confident	87.8	Confident	152 Å²	152	42.5 Å²	42.5	80%	0.796	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-76.1	154.7	168.9	-63.8	171.1	0	0	0	110.8
213	P	85.8	Confident	87.8	Confident	65 Å²	65	39 Å²	39	42%	0.422	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-56.4	138.2	167	-21.4	32.5	0	0	0	110.8	R215	P213-R215 PolarHBondContact O-N 3.07Å
214	P	91.3	Very high	87.8	Confident	6 Å²	6	40.3 Å²	40.3	4%	0.039	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-69.2	131.3	179.3	30.8	-35.5	0	0	0	110.1	D357 R358	P214-D357 HydrophobicContact CB-CB 3.74Å; P214-R358 HydrophobicContact CB-CB 4.03Å
215	R	93.1	Very high	87.7	Confident	50 Å²	50	40.5 Å²	40.5	19%	0.189	22%	0.217	C	C	.	.	S	Bend	trans	-78.7	-52.8	170.5	-177.8	-171.2	171.2	-81.2	-13.3	109.6	P213 I328 I329 G331 L334 P335 S338 V339 D357	P213-R215 PolarHBondContact O-N 3.07Å; R215-I328 PolarHBondContact NH1-O 3.2Å; R215-I328 PolarHBondContact NH2-O 3.16Å; R215-I329 PolarHBondContact NH1-O 3.16Å; R215-G331 VanDerWaalsContact CZ-CA 3.47Å; R215-G331 VanDerWaalsContact NH2-CA 3.32Å; R215-L334 PolarHBondContact NH2-O 3.17Å; R215-P335 WeakPolarHBondContact CD-O 3.45Å; R215-P335 PolarHBondContact NE-O 3.15Å; R215-S338 CarbonylContact O-C 3.53Å; R215-S338 WeakPolarHBondContact O-CA 3.29Å; R215-V339 PolarHBondContact O-N 2.82Å; R215-D357 WeakPolarHBondContact CA-OD2 3.47Å; R215-D357 WeakPolarHBondContact CB-OD2 3.3Å; R215-D357 PolarHBondContact N-OD2 3.17Å
216	V	95.3	Very high	87.8	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.3	-179.7	-175.8	0	0	0	0	110.1	V339 L355 V356 D357 R358	V216-V339 WeakPolarHBondContact CA-O 3.44Å; V216-L355 WeakPolarHBondContact CB-O 3.42Å; V216-L355 WeakPolarHBondContact CG2-O 3.34Å; V216-V356 HydrophobicContact CG1-CG2 4.41Å; V216-D357 PolarHBondContact N-OD2 3.36Å; V216-D357 PolarHBondContact O-N 3.16Å; V216-R358 PolarHBondContact O-N 3.33Å
217	T	95.8	Very high	88	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.4	172.9	-60	0	0	0	0	110	L203 V339 W340 V341 R358	L203-T217 HydrophobicContact CD1-CG2 3.58Å; L203-T217 HydrophobicContact CD2-CG2 4.4Å; L203-T217 HydrophobicContact CG-CG2 3.9Å; T217-V339 PolarHBondContact N-O 2.75Å; T217-W340 CarbonylContact O-C 3.51Å; T217-W340 WeakPolarHBondContact O-CA 3.35Å; T217-V341 PolarHBondContact O-N 2.83Å; T217-R358 WeakPolarHBondContact CA-O 3.44Å; T217-R358 HydrophobicContact CG2-CB 4.24Å; T217-R358 HydrophobicContact CG2-CG 4.29Å
218	L	96.5	Very high	88.3	Confident	6 Å²	6	37.2 Å²	37.2	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.7	177.9	178.5	60.8	0	0	0	109.5	V220 V341 A348 I351 V356 R358 V359 T360	L218-V220 HydrophobicContact CD1-CG1 4.36Å; L218-V220 HydrophobicContact CD2-CG1 4.34Å; L218-V220 HydrophobicContact CG-CG1 4.01Å; L218-V341 WeakPolarHBondContact CA-O 3.39Å; L218-V341 HydrophobicContact CD1-CB 4.05Å; L218-V341 HydrophobicContact CD1-CG1 4.13Å; L218-A348 HydrophobicContact CD1-CB 4.24Å; L218-A348 HydrophobicContact CD2-CB 4.16Å; L218-I351 HydrophobicContact CD1-CD1 4.21Å; L218-V356 HydrophobicContact CB-CG1 3.66Å; L218-V356 HydrophobicContact CD2-CG1 4.39Å; L218-V356 HydrophobicContact CD2-CG2 4.33Å; L218-R358 PolarHBondContact N-O 3.22Å; L218-V359 HydrophobicContact CD2-CG1 4.48Å; L218-V359 CarbonylContact O-C 3.57Å; L218-V359 WeakPolarHBondContact O-CA 3.29Å; L218-T360 PolarHBondContact O-N 3.39Å; L218-T360 PolarHBondContact O-OG1 2.76Å
219	T	95.9	Very high	88.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.1	172.5	-60.5	0	0	0	0	110	L165 W340 V341 T342 S343 T360 I362	L165-T219 HydrophobicContact CD2-CG2 4.37Å; T219-W340 PolarHBondContact OG1-NE1 2.76Å; T219-V341 PolarHBondContact N-O 2.68Å; T219-T342 VanDerWaalsContact O-CA 3.32Å; T219-T342 WeakPolarHBondContact O-CA 3.48Å; T219-S343 PolarHBondContact O-N 3.25Å; T219-S343 VanDerWaalsContact O-N 3.13Å; T219-T360 CarbonylContact C-O 3.55Å; T219-T360 VanDerWaalsContact CA-O 3.32Å; T219-T360 WeakPolarHBondContact CA-O 3.43Å; T219-T360 WeakPolarHBondContact CA-OG1 3.41Å; T219-T360 WeakPolarHBondContact CB-OG1 3.31Å; T219-T360 PolarHBondContact OG1-OG1 2.98Å; T219-I362 HydrophobicContact CG2-CD1 3.81Å; T219-I362 HydrophobicContact CG2-CG1 3.65Å
220	V	94.3	Very high	89.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	152.1	179.2	-61.8	0	0	0	0	112.7	L171 L218 S343 P345 A348 T360 E361 I362	L171-V220 HydrophobicContact CD1-CG1 4.42Å; L171-V220 HydrophobicContact CD2-CB 4.17Å; L171-V220 HydrophobicContact CD2-CG1 3.77Å; L171-V220 HydrophobicContact CD2-CG2 3.67Å; L218-V220 HydrophobicContact CD1-CG1 4.36Å; L218-V220 HydrophobicContact CD2-CG1 4.34Å; L218-V220 HydrophobicContact CG-CG1 4.01Å; V220-S343 VanDerWaalsContact CA-O 3.29Å; V220-S343 WeakPolarHBondContact CA-O 3Å; V220-P345 HydrophobicContact CB-CG 4.24Å; V220-A348 HydrophobicContact CG1-CB 3.58Å; V220-T360 WeakPolarHBondContact CG2-O 3.28Å; V220-T360 PolarHBondContact N-O 3.23Å; V220-E361 HydrophobicContact CG2-CB 4.08Å; V220-E361 HydrophobicContact CG2-CG 4.28Å; V220-E361 WeakPolarHBondContact O-CA 3.49Å; V220-I362 PolarHBondContact O-N 3Å
221	G	91.9	Very high	90.1	Very high	4 Å²	4	24.8 Å²	24.8	4%	0.041	15%	0.15	C	C	.	.			trans	178.9	151.1	170.7	0	0	0	0	0	111.5	K227 S343 R344	G221-K227 WeakPolarHBondContact O-CD 3.38Å; G221-K227 PolarHBondContact O-NZ 2.74Å; G221-S343 PolarHBondContact N-O 3.45Å; G221-S343 VanDerWaalsContact N-O 3.17Å; G221-R344 WeakPolarHBondContact O-CA 3.44Å
222	V	90.9	Very high	90.6	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.048	15%	0.147	C	C	.	.			trans	-63.2	169	-175.7	-59.7	0	0	0	0	112.6	D180 Q183 V184 G224 I225 K227 I403	D180-V222 HydrophobicContact CB-CB 3.76Å; D180-V222 HydrophobicContact CB-CG1 4.02Å; Q183-V222 HydrophobicContact CB-CG1 4.08Å; V184-V222 HydrophobicContact CG2-CB 4.19Å; V184-V222 HydrophobicContact CG2-CG1 3.86Å; V184-V222 HydrophobicContact CG2-CG2 3.32Å; V222-G224 PolarHBondContact O-N 3.44Å; V222-I225 HydrophobicContact CG2-CB 4Å; V222-I225 HydrophobicContact CG2-CD1 3.93Å; V222-I225 HydrophobicContact CG2-CG1 4.28Å; V222-I225 WeakPolarHBondContact O-CB 3.44Å; V222-I225 VanDerWaalsContact O-CG2 3.32Å; V222-I225 WeakPolarHBondContact O-CG2 3.4Å; V222-I225 PolarHBondContact O-N 3.12Å; V222-K227 PolarHBondContact O-NZ 3.05Å; V222-I403 HydrophobicContact CG2-CD1 3.85Å; V222-I403 HydrophobicContact CG2-CG1 4.13Å
223	A	89.2	Confident	90.8	Very high	12 Å²	12	19.5 Å²	19.5	10%	0.099	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	139.8	172	0	0	0	0	0	111.2	D180 I225 I403 H523 L524	D180-A223 WeakPolarHBondContact OD2-CB 3.26Å; D180-A223 PolarHBondContact OD2-N 3.23Å; A223-I225 PolarHBondContact O-N 3.14Å; A223-I225 VanDerWaalsContact O-N 3.15Å; A223-I403 WeakPolarHBondContact O-CG2 3.29Å; A223-H523 VanDerWaalsContact C-NE2 3.25Å; A223-H523 PolarHBondContact O-NE2 3.35Å; A223-H523 VanDerWaalsContact O-NE2 3.16Å; A223-L524 HydrophobicContact CB-CB 4.2Å
224	G	87.8	Confident	91	Very high	27 Å²	27	16.4 Å²	16.4	28%	0.278	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	1.9	177.4	0	0	0	0	0	116.5	V222 G226 C405 H523	V222-G224 PolarHBondContact O-N 3.44Å; G224-G226 PolarHBondContact O-N 2.94Å; G224-C405 WeakPolarHBondContact O-CB 3.47Å; G224-C405 PolarHBondContact O-N 2.88Å; G224-H523 PolarHBondContact N-NE2 3.06Å
225	I	89.1	Confident	91	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.036	9%	0.094	C	C	.	.	S	Bend	trans	-71.5	-16.9	-179.6	-149.7	65.6	0	0	0	114	V222 A223 K227 I362 G364	V222-I225 HydrophobicContact CG2-CB 4Å; V222-I225 HydrophobicContact CG2-CD1 3.93Å; V222-I225 HydrophobicContact CG2-CG1 4.28Å; V222-I225 WeakPolarHBondContact O-CB 3.44Å; V222-I225 VanDerWaalsContact O-CG2 3.32Å; V222-I225 WeakPolarHBondContact O-CG2 3.4Å; V222-I225 PolarHBondContact O-N 3.12Å; A223-I225 PolarHBondContact O-N 3.14Å; A223-I225 VanDerWaalsContact O-N 3.15Å; I225-K227 HydrophobicContact CG2-CG 3.89Å; I225-I362 HydrophobicContact CG1-CG2 4.11Å; I225-I362 HydrophobicContact CG2-CB 4.24Å; I225-I362 HydrophobicContact CG2-CD1 4.44Å; I225-I362 HydrophobicContact CG2-CG2 4.24Å; I225-G364 VanDerWaalsContact CD1-CA 3.45Å
226	G	87.8	Confident	90.8	Very high	17 Å²	17	16 Å²	16	18%	0.175	9%	0.094	C	C	.	.			trans	103.1	21.3	179	0	0	0	0	0	115.9	G224 T228 T229 W230	G224-G226 PolarHBondContact O-N 2.94Å; G226-T228 PolarHBondContact O-N 3.36Å; G226-T229 CarbonylContact O-C 3.53Å; G226-T229 WeakPolarHBondContact O-CA 3.35Å; G226-T229 VanDerWaalsContact O-CB 3.26Å; G226-T229 WeakPolarHBondContact O-CB 3.02Å; G226-T229 PolarHBondContact O-N 3.44Å; G226-W230 VanDerWaalsContact O-CD1 3.29Å; G226-W230 PolarHBondContact O-N 2.91Å
227	K	90.6	Very high	90.4	Very high	18 Å²	18	18.2 Å²	18.2	8%	0.078	10%	0.104	C	C	.	.	H	α-helix	trans	-44.9	-57.7	177	-65.4	-173.3	-66	-79	0	112.9	G221 V222 I225 T229 W230 V231 S343 I362	G221-K227 WeakPolarHBondContact O-CD 3.38Å; G221-K227 PolarHBondContact O-NZ 2.74Å; V222-K227 PolarHBondContact O-NZ 3.05Å; I225-K227 HydrophobicContact CG2-CG 3.89Å; K227-T229 VanDerWaalsContact C-N 3.28Å; K227-T229 PolarHBondContact O-N 2.75Å; K227-W230 WeakPolarHBondContact O-CB 3.47Å; K227-W230 PolarHBondContact O-N 3.1Å; K227-W230 VanDerWaalsContact O-N 3.11Å; K227-V231 PolarHBondContact O-N 2.77Å; K227-V231 VanDerWaalsContact O-N 3.12Å; K227-S343 WeakPolarHBondContact CD-O 3.42Å; K227-I362 HydrophobicContact CB-CD1 4.3Å; K227-I362 HydrophobicContact CG-CD1 3.94Å
228	T	87.9	Confident	90.2	Very high	43 Å²	43	18.2 Å²	18.2	26%	0.264	10%	0.104	S	C	.	.	H	α-helix	trans	-60.2	-35.8	176.2	-57.3	0	0	0	0	112.5	G226 W230 V231 R232 D295	G226-T228 PolarHBondContact O-N 3.36Å; T228-W230 VanDerWaalsContact C-N 3.32Å; T228-W230 PolarHBondContact O-N 3.35Å; T228-V231 PolarHBondContact O-N 2.82Å; T228-R232 HydrophobicContact CG2-CG 4.33Å; T228-R232 WeakPolarHBondContact O-CB 3.48Å; T228-R232 VanDerWaalsContact O-CG 3.24Å; T228-R232 WeakPolarHBondContact O-CG 3.12Å; T228-R232 PolarHBondContact O-N 3.22Å; T228-D295 WeakPolarHBondContact CA-OD2 3.46Å; T228-D295 WeakPolarHBondContact CB-OD2 3.32Å; T228-D295 WeakPolarHBondContact CG2-OD2 3.4Å; T228-D295 PolarHBondContact OG1-OD2 3.43Å
229	T	87	Confident	90	Very high	58 Å²	58	18.7 Å²	18.7	36%	0.356	11%	0.107	S	C	.	.	H	α-helix	trans	-63.8	-37.8	176.4	-40.2	0	0	0	0	111.9	I160 G226 K227 H233	I160-T229 HydrophobicContact CD1-CG2 3.45Å; I160-T229 VanDerWaalsContact CD1-CG2 3.45Å; G226-T229 CarbonylContact O-C 3.53Å; G226-T229 WeakPolarHBondContact O-CA 3.35Å; G226-T229 VanDerWaalsContact O-CB 3.26Å; G226-T229 WeakPolarHBondContact O-CB 3.02Å; G226-T229 PolarHBondContact O-N 3.44Å; K227-T229 VanDerWaalsContact C-N 3.28Å; K227-T229 PolarHBondContact O-N 2.75Å; T229-H233 WeakPolarHBondContact O-CB 3.26Å; T229-H233 PolarHBondContact O-N 3.41Å
230	W	88.8	Confident	89.6	Confident	10 Å²	10	23.6 Å²	23.6	4%	0.038	13%	0.13	C	C	.	.	H	α-helix	trans	-66	-44.1	173.4	-82.3	79.6	0	0	0	112.1	I160 R163 L165 L200 G226 K227 T228 H233 F234 I362	I160-W230 HydrophobicContact CG2-CD2 3.87Å; I160-W230 HydrophobicContact CG2-CE3 4.05Å; I160-W230 HydrophobicContact CG2-CG 4.38Å; I160-W230 HydrophobicContact CG2-CH2 4.32Å; I160-W230 HydrophobicContact CG2-CZ2 4.15Å; I160-W230 HydrophobicContact CG2-CZ3 4.27Å; R163-W230 HydrophobicContact CB-CH2 4.04Å; R163-W230 HydrophobicContact CB-CZ2 3.93Å; L165-W230 HydrophobicContact CD1-CZ3 4.48Å; L165-W230 HydrophobicContact CD2-CD2 4.19Å; L165-W230 HydrophobicContact CD2-CE3 3.89Å; L165-W230 HydrophobicContact CD2-CH2 3.92Å; L165-W230 HydrophobicContact CD2-CZ2 4.21Å; L165-W230 HydrophobicContact CD2-CZ3 3.76Å; L165-W230 HydrophobicContact CG-CE3 4.3Å; L165-W230 HydrophobicContact CG-CH2 4.13Å; L165-W230 HydrophobicContact CG-CZ3 3.81Å; L200-W230 HydrophobicContact CB-CZ3 4.32Å; L200-W230 HydrophobicContact CD1-CE3 3.95Å; L200-W230 HydrophobicContact CD1-CZ3 4.22Å; L200-W230 HydrophobicContact CD2-CE3 4.19Å; L200-W230 HydrophobicContact CD2-CZ3 4.45Å; G226-W230 VanDerWaalsContact O-CD1 3.29Å; G226-W230 PolarHBondContact O-N 2.91Å; K227-W230 WeakPolarHBondContact O-CB 3.47Å; K227-W230 PolarHBondContact O-N 3.1Å; K227-W230 VanDerWaalsContact O-N 3.11Å; T228-W230 VanDerWaalsContact C-N 3.32Å; T228-W230 PolarHBondContact O-N 3.35Å; W230-H233 PolarHBondContact O-N 3.06Å; W230-F234 PolarHBondContact O-N 2.85Å; W230-I362 HydrophobicContact CB-CD1 4.33Å; W230-I362 HydrophobicContact CG-CD1 3.98Å
231	V	91.5	Very high	89.1	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-48.4	175	170.8	0	0	0	0	110.9	K227 T228 H233 F234 I235 I293 D295 W340 T342	K227-V231 PolarHBondContact O-N 2.77Å; K227-V231 VanDerWaalsContact O-N 3.12Å; T228-V231 PolarHBondContact O-N 2.82Å; V231-H233 VanDerWaalsContact C-N 3.32Å; V231-H233 PolarHBondContact O-N 3.31Å; V231-F234 WeakPolarHBondContact O-CB 3.35Å; V231-F234 PolarHBondContact O-N 3.31Å; V231-I235 HydrophobicContact CG1-CD1 3.7Å; V231-I235 HydrophobicContact CG1-CG1 4.46Å; V231-I235 VanDerWaalsContact O-CG1 3.29Å; V231-I235 WeakPolarHBondContact O-CG1 3.48Å; V231-I235 PolarHBondContact O-N 2.79Å; V231-I293 HydrophobicContact CG1-CD1 4.31Å; V231-I293 HydrophobicContact CG1-CG2 3.85Å; V231-I293 HydrophobicContact CG2-CG2 4.13Å; V231-D295 HydrophobicContact CG2-CB 4.46Å; V231-W340 HydrophobicContact CB-CH2 4.39Å; V231-W340 HydrophobicContact CB-CZ3 4.42Å; V231-W340 HydrophobicContact CG2-CE3 4.45Å; V231-W340 HydrophobicContact CG2-CH2 3.76Å; V231-W340 HydrophobicContact CG2-CZ2 4.09Å; V231-W340 HydrophobicContact CG2-CZ3 3.96Å; V231-T342 HydrophobicContact CG2-CG2 3.57Å
232	R	88.4	Confident	88.7	Confident	41 Å²	41	29.3 Å²	29.3	16%	0.155	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-41.8	176.6	-69.2	179.4	-173.8	167.3	6.2	112.1	Y144 D151 T228 I235 R236	Y144-R232 HydrophobicContact CD1-CB 4.3Å; Y144-R232 HydrophobicContact CD1-CG 3.72Å; Y144-R232 HydrophobicContact CE1-CG 3.75Å; D151-R232 VanDerWaalsContact CG-NH1 3.33Å; D151-R232 IonicContact OD1-NH1 3.5Å; D151-R232 PolarHBondContact OD1-NH1 3.18Å; D151-R232 IonicContact OD2-NH1 3.62Å; D151-R232 PolarHBondContact OD2-NH1 2.98Å; T228-R232 HydrophobicContact CG2-CG 4.33Å; T228-R232 WeakPolarHBondContact O-CB 3.48Å; T228-R232 VanDerWaalsContact O-CG 3.24Å; T228-R232 WeakPolarHBondContact O-CG 3.12Å; T228-R232 PolarHBondContact O-N 3.22Å; R232-I235 PolarHBondContact O-N 2.9Å; R232-R236 WeakPolarHBondContact O-CG 3.32Å; R232-R236 PolarHBondContact O-N 3.04Å
233	H	87	Confident	88.4	Confident	32 Å²	32	31.1 Å²	31.1	15%	0.148	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-45.4	177.5	-179.1	70.7	0	0	0	111.5	I160 S161 T229 W230 V231 R236 Q237	I160-H233 HydrophobicContact CD1-CB 4.27Å; I160-H233 HydrophobicContact CG2-CB 4.34Å; S161-H233 PolarHBondContact OG-CE1 2.82Å; T229-H233 WeakPolarHBondContact O-CB 3.26Å; T229-H233 PolarHBondContact O-N 3.41Å; W230-H233 PolarHBondContact O-N 3.06Å; V231-H233 VanDerWaalsContact C-N 3.32Å; V231-H233 PolarHBondContact O-N 3.31Å; H233-R236 PolarHBondContact O-N 3.28Å; H233-Q237 WeakPolarHBondContact O-CG 3.31Å; H233-Q237 PolarHBondContact O-N 3.12Å; H233-Q237 VanDerWaalsContact O-N 3.09Å
234	F	91	Very high	88.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.1	-53	173.8	174.6	-98.5	0	0	0	111.6	L200 F204 W230 V231 R236 Q237 W238 V250 L291 I293 W340	L200-F234 HydrophobicContact CD2-CB 3.98Å; L200-F234 HydrophobicContact CD2-CD2 4.33Å; L200-F234 HydrophobicContact CG-CD2 4.14Å; F204-F234 HydrophobicContact CD2-CE2 4.43Å; F204-F234 HydrophobicContact CD2-CZ 4.46Å; F204-F234 AromaticContact CE2-CE2 3.82Å; F204-F234 HydrophobicContact CE2-CE2 3.82Å; F204-F234 AromaticContact CE2-CZ 3.81Å; F204-F234 HydrophobicContact CE2-CZ 3.81Å; W230-F234 PolarHBondContact O-N 2.85Å; V231-F234 WeakPolarHBondContact O-CB 3.35Å; V231-F234 PolarHBondContact O-N 3.31Å; F234-R236 VanDerWaalsContact C-N 3.33Å; F234-R236 PolarHBondContact O-N 3.02Å; F234-Q237 PolarHBondContact O-N 3.23Å; F234-W238 HydrophobicContact CE1-CB 4.49Å; F234-W238 WeakPolarHBondContact O-CB 3.48Å; F234-W238 PolarHBondContact O-N 3.29Å; F234-V250 HydrophobicContact CE1-CG1 4.24Å; F234-V250 HydrophobicContact CE1-CG2 4.13Å; F234-L291 HydrophobicContact CE1-CD2 3.53Å; F234-L291 HydrophobicContact CZ-CD2 3.65Å; F234-I293 HydrophobicContact CD1-CD1 4.01Å; F234-I293 HydrophobicContact CE1-CD1 4.16Å; F234-W340 HydrophobicContact CB-CH2 4.15Å; F234-W340 HydrophobicContact CB-CZ3 3.85Å; F234-W340 HydrophobicContact CD1-CE3 4.44Å; F234-W340 AromaticContact CD1-CZ3 3.85Å; F234-W340 HydrophobicContact CD1-CZ3 3.85Å; F234-W340 HydrophobicContact CG-CH2 4.48Å; F234-W340 AromaticContact CG-CZ3 3.82Å; F234-W340 HydrophobicContact CG-CZ3 3.82Å
235	I	91.6	Very high	87.7	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-44.8	-177.4	-65.7	163.6	0	0	0	110.8	L140 Y144 V231 R232 Q237 W238 C239 V250 P252 I293	L140-I235 HydrophobicContact CB-CG2 4.47Å; L140-I235 HydrophobicContact CD1-CG2 4.5Å; Y144-I235 HydrophobicContact CD2-CG2 3.89Å; Y144-I235 HydrophobicContact CE1-CD1 4.15Å; Y144-I235 HydrophobicContact CE2-CD1 3.91Å; Y144-I235 HydrophobicContact CE2-CG2 4.05Å; Y144-I235 HydrophobicContact CG-CG2 4.49Å; V231-I235 HydrophobicContact CG1-CD1 3.7Å; V231-I235 HydrophobicContact CG1-CG1 4.46Å; V231-I235 VanDerWaalsContact O-CG1 3.29Å; V231-I235 WeakPolarHBondContact O-CG1 3.48Å; V231-I235 PolarHBondContact O-N 2.79Å; R232-I235 PolarHBondContact O-N 2.9Å; I235-Q237 PolarHBondContact O-N 2.78Å; I235-W238 PolarHBondContact O-N 2.9Å; I235-C239 WeakPolarHBondContact O-CB 3.46Å; I235-C239 PolarHBondContact O-N 3.2Å; I235-C239 PolarHBondContact O-SG 3.21Å; I235-V250 HydrophobicContact CG1-CG1 4.22Å; I235-P252 HydrophobicContact CD1-CB 3.73Å; I235-P252 HydrophobicContact CD1-CG 4.01Å; I235-I293 HydrophobicContact CD1-CD1 4.35Å; I235-I293 HydrophobicContact CG1-CD1 4.14Å
236	R	88.9	Confident	87.3	Confident	47 Å²	47	37.5 Å²	37.5	18%	0.177	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-46.3	178.4	-73.4	177.9	-175.1	157.9	5.2	112.2	Y144 R232 H233 F234 C239 Q240	Y144-R236 PolarHBondContact O-NE 2.88Å; Y144-R236 PolarHBondContact O-NH2 3.39Å; R232-R236 WeakPolarHBondContact O-CG 3.32Å; R232-R236 PolarHBondContact O-N 3.04Å; H233-R236 PolarHBondContact O-N 3.28Å; F234-R236 VanDerWaalsContact C-N 3.33Å; F234-R236 PolarHBondContact O-N 3.02Å; R236-C239 PolarHBondContact O-N 3.05Å; R236-Q240 VanDerWaalsContact O-CG 3.26Å; R236-Q240 WeakPolarHBondContact O-CG 3.19Å; R236-Q240 PolarHBondContact O-N 3.29Å; R236-Q240 VanDerWaalsContact O-N 3.09Å
237	Q	87.4	Confident	87.3	Confident	47 Å²	47	36.8 Å²	36.8	22%	0.22	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-40.5	178.8	-69.7	-64.2	-61	0	0	111.7	H233 F234 I235 Q240 G241 T242 M243	H233-Q237 WeakPolarHBondContact O-CG 3.31Å; H233-Q237 PolarHBondContact O-N 3.12Å; H233-Q237 VanDerWaalsContact O-N 3.09Å; F234-Q237 PolarHBondContact O-N 3.23Å; I235-Q237 PolarHBondContact O-N 2.78Å; Q237-Q240 CarbonylContact O-C 3.22Å; Q237-Q240 PolarHBondContact O-N 3.13Å; Q237-G241 PolarHBondContact O-N 3.24Å; Q237-G241 VanDerWaalsContact O-N 3.11Å; Q237-T242 WeakPolarHBondContact CA-OG1 3.41Å; Q237-T242 WeakPolarHBondContact CB-OG1 3.38Å; Q237-T242 PolarHBondContact O-N 2.9Å; Q237-T242 PolarHBondContact O-OG1 2.94Å; Q237-T242 PolarHBondContact OE1-OG1 3.44Å; Q237-M243 HydrophobicContact CB-CB 4.1Å; Q237-M243 HydrophobicContact CB-CG 3.47Å; Q237-M243 VanDerWaalsContact CB-CG 3.47Å; Q237-M243 HydrophobicContact CG-CG 4.28Å
238	W	91.6	Very high	87	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-42.6	174.7	175.2	81.4	0	0	0	112.6	K137 L140 F234 I235 Q240 G241 I247 H248 V250	K137-W238 HydrophobicContact CD-CH2 4.43Å; K137-W238 HydrophobicContact CG-CE3 4.36Å; K137-W238 HydrophobicContact CG-CH2 3.78Å; K137-W238 HydrophobicContact CG-CZ3 3.69Å; K137-W238 PolarHBondContact NZ-O 3.01Å; L140-W238 HydrophobicContact CD1-CZ3 4.05Å; F234-W238 HydrophobicContact CE1-CB 4.49Å; F234-W238 WeakPolarHBondContact O-CB 3.48Å; F234-W238 PolarHBondContact O-N 3.29Å; I235-W238 PolarHBondContact O-N 2.9Å; W238-Q240 PolarHBondContact O-N 2.74Å; W238-G241 PolarHBondContact O-N 3.29Å; W238-I247 PolarHBondContact NE1-O 2.91Å; W238-H248 WeakPolarHBondContact CZ2-O 3.36Å; W238-V250 HydrophobicContact CD2-CB 4.08Å; W238-V250 HydrophobicContact CD2-CG2 3.43Å; W238-V250 VanDerWaalsContact CD2-CG2 3.43Å; W238-V250 VanDerWaalsContact CE2-CG2 3.43Å; W238-V250 HydrophobicContact CE3-CB 3.89Å; W238-V250 HydrophobicContact CE3-CG2 3.78Å; W238-V250 HydrophobicContact CG-CG2 3.89Å; W238-V250 HydrophobicContact CH2-CB 4.06Å; W238-V250 HydrophobicContact CH2-CG2 4.1Å; W238-V250 HydrophobicContact CZ2-CB 4.25Å; W238-V250 HydrophobicContact CZ2-CG2 3.79Å; W238-V250 HydrophobicContact CZ3-CB 3.87Å; W238-V250 HydrophobicContact CZ3-CG2 4.1Å
239	C	91.1	Very high	87.1	Confident	15 Å²	15	35.8 Å²	35.8	10%	0.101	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-35.2	174	-73.9	0	0	0	0	112.2	K137 L141 I235 R236 G241	K137-C239 HydrophobicContact CB-CB 4.39Å; K137-C239 PolarHBondContact O-SG 3.5Å; L141-C239 HydrophobicContact CB-CB 4.27Å; L141-C239 HydrophobicContact CD1-CB 4.27Å; I235-C239 WeakPolarHBondContact O-CB 3.46Å; I235-C239 PolarHBondContact O-N 3.2Å; I235-C239 PolarHBondContact O-SG 3.21Å; R236-C239 PolarHBondContact O-N 3.05Å; C239-G241 VanDerWaalsContact C-N 3.26Å; C239-G241 PolarHBondContact O-N 2.96Å
240	Q	87	Confident	87.4	Confident	105 Å²	105	33 Å²	33	49%	0.491	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.4	176.2	-69.4	169.3	-5	0	0	113.4	R236 Q237 W238 T242	R236-Q240 VanDerWaalsContact O-CG 3.26Å; R236-Q240 WeakPolarHBondContact O-CG 3.19Å; R236-Q240 PolarHBondContact O-N 3.29Å; R236-Q240 VanDerWaalsContact O-N 3.09Å; Q237-Q240 CarbonylContact O-C 3.22Å; Q237-Q240 PolarHBondContact O-N 3.13Å; W238-Q240 PolarHBondContact O-N 2.74Å; Q240-T242 HydrophobicContact CB-CG2 4.34Å
241	G	83.6	Confident	87.6	Confident	47 Å²	47	32.6 Å²	32.6	49%	0.485	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	15.5	-179.9	0	0	0	0	0	114.7	Q237 W238 C239	Q237-G241 PolarHBondContact O-N 3.24Å; Q237-G241 VanDerWaalsContact O-N 3.11Å; W238-G241 PolarHBondContact O-N 3.29Å; C239-G241 VanDerWaalsContact C-N 3.26Å; C239-G241 PolarHBondContact O-N 2.96Å
242	T	84.1	Confident	87.6	Confident	77 Å²	77	33 Å²	33	47%	0.472	18%	0.184	S	C	.	.	S	Bend	trans	-93.4	-10.3	-177.5	58.8	0	0	0	0	114	Q237 Q240	Q237-T242 WeakPolarHBondContact CA-OG1 3.41Å; Q237-T242 WeakPolarHBondContact CB-OG1 3.38Å; Q237-T242 PolarHBondContact O-N 2.9Å; Q237-T242 PolarHBondContact O-OG1 2.94Å; Q237-T242 PolarHBondContact OE1-OG1 3.44Å; Q240-T242 HydrophobicContact CB-CG2 4.34Å
243	M	85.2	Confident	87.7	Confident	46 Å²	46	31.3 Å²	31.3	23%	0.227	18%	0.178	C	C	.	.	S	Bend	trans	-136.3	140.8	-176.8	-71.7	-87.3	114.1	0	0	110.9	A201 Q237	A201-M243 HydrophobicContact CB-CE 3.78Å; A201-M243 HydrophobicContact CB-SD 3.79Å; Q237-M243 HydrophobicContact CB-CB 4.1Å; Q237-M243 HydrophobicContact CB-CG 3.47Å; Q237-M243 VanDerWaalsContact CB-CG 3.47Å; Q237-M243 HydrophobicContact CG-CG 4.28Å
244	C	83.5	Confident	87.7	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.041	18%	0.18	C	C	.	.			trans	42.4	64.4	174.3	-55.1	0	0	0	0	113.9	D246 I247	C244-D246 WeakPolarHBondContact CA-OD1 3.36Å; C244-D246 PolarHBondContact O-N 3.39Å; C244-I247 HydrophobicContact CB-CB 4.39Å; C244-I247 HydrophobicContact CB-CD1 3.74Å; C244-I247 HydrophobicContact CB-CG1 4.04Å; C244-I247 PolarHBondContact O-N 2.96Å; C244-I247 VanDerWaalsContact O-N 3.12Å
245	P	78.6	Confident	87.6	Confident	115 Å²	115	31.4 Å²	31.4	75%	0.747	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.6	-179	29.4	-35.6	0	0	0	113.1	I247	P245-I247 VanDerWaalsContact C-N 3.28Å; P245-I247 PolarHBondContact O-N 2.66Å
246	D	80.4	Confident	87.2	Confident	58 Å²	58	31.6 Å²	31.6	31%	0.31	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.4	175.6	58.1	-34	0	0	0	114.2	C244 R289	C244-D246 WeakPolarHBondContact CA-OD1 3.36Å; C244-D246 PolarHBondContact O-N 3.39Å; D246-R289 WeakPolarHBondContact O-CB 3.4Å; D246-R289 IonicContact OD2-CZ 2.69Å; D246-R289 IonicContact OD2-NH1 3.32Å; D246-R289 PolarHBondContact OD2-NH1 2.93Å
247	I	87.4	Confident	86.8	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.015	18%	0.18	C	C	.	.			trans	-98.1	117.5	175.5	-60.8	177.3	0	0	0	109.1	F204 W238 C244 P245 F249 V250 R289 L291	F204-I247 HydrophobicContact CB-CD1 4.48Å; F204-I247 HydrophobicContact CD2-CD1 3.94Å; F204-I247 HydrophobicContact CG-CD1 4.36Å; W238-I247 PolarHBondContact NE1-O 2.91Å; C244-I247 HydrophobicContact CB-CB 4.39Å; C244-I247 HydrophobicContact CB-CD1 3.74Å; C244-I247 HydrophobicContact CB-CG1 4.04Å; C244-I247 PolarHBondContact O-N 2.96Å; C244-I247 VanDerWaalsContact O-N 3.12Å; P245-I247 VanDerWaalsContact C-N 3.28Å; P245-I247 PolarHBondContact O-N 2.66Å; I247-F249 WeakPolarHBondContact CG2-O 3.19Å; I247-V250 HydrophobicContact CG2-CG2 3.87Å; I247-R289 HydrophobicContact CG1-CG 4.45Å; I247-L291 HydrophobicContact CD1-CB 4.26Å; I247-L291 HydrophobicContact CD1-CD2 4.12Å; I247-L291 HydrophobicContact CG2-CB 3.76Å
248	H	85.3	Confident	86.6	Confident	39 Å²	39	28.7 Å²	28.7	18%	0.181	17%	0.17	C	C	.	.			trans	-84.4	-37.4	-173.6	-59.5	136.5	0	0	0	113.4	Y129 W238 R289	Y129-H248 HydrophobicContact CE2-CB 4.12Å; Y129-H248 AromaticContact CZ-CD2 4Å; Y129-H248 VanDerWaalsContact OH-CB 3.24Å; Y129-H248 WeakPolarHBondContact OH-CB 3.46Å; Y129-H248 PolarHBondContact OH-CD2 3.02Å; W238-H248 WeakPolarHBondContact CZ2-O 3.36Å; H248-R289 PolarHBondContact N-O 2.96Å; H248-R289 PolarHBondContact ND1-N 3.27Å
249	F	89.5	Confident	86.2	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136	178.5	-68.1	-78.2	0	0	0	110.9	Y129 T132 V133 I247 L277 L282 V283 C288 T290 L291	Y129-F249 HydrophobicContact CD2-CE2 4.48Å; Y129-F249 HydrophobicContact CE2-CE2 4.13Å; Y129-F249 HydrophobicContact CE2-CZ 4.44Å; T132-F249 HydrophobicContact CG2-CE1 4.29Å; T132-F249 HydrophobicContact CG2-CZ 4.48Å; V133-F249 HydrophobicContact CG2-CE1 3.83Å; V133-F249 HydrophobicContact CG2-CE2 4.31Å; V133-F249 HydrophobicContact CG2-CZ 3.69Å; I247-F249 WeakPolarHBondContact CG2-O 3.19Å; F249-L277 HydrophobicContact CE1-CD2 4.21Å; F249-L282 HydrophobicContact CE2-CG 4.29Å; F249-L282 HydrophobicContact CZ-CD2 4.12Å; F249-L282 HydrophobicContact CZ-CG 4.19Å; F249-V283 HydrophobicContact CB-CG1 4.08Å; F249-V283 HydrophobicContact CD1-CG2 4.46Å; F249-V283 HydrophobicContact CD2-CG1 4.32Å; F249-V283 HydrophobicContact CE1-CG2 4.45Å; F249-V283 HydrophobicContact CG-CG1 4.11Å; F249-C288 HydrophobicContact CD2-CB 4.37Å; F249-T290 HydrophobicContact CB-CG2 4.08Å; F249-T290 WeakPolarHBondContact O-CA 3.3Å; F249-L291 PolarHBondContact O-N 3.3Å
250	V	92.9	Very high	85.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.9	172.7	174.6	0	0	0	0	108.4	H136 F234 I235 W238 I247 P252 L291 I293	H136-V250 PolarHBondContact NE2-O 3.38Å; F234-V250 HydrophobicContact CE1-CG1 4.24Å; F234-V250 HydrophobicContact CE1-CG2 4.13Å; I235-V250 HydrophobicContact CG1-CG1 4.22Å; W238-V250 HydrophobicContact CD2-CB 4.08Å; W238-V250 HydrophobicContact CD2-CG2 3.43Å; W238-V250 VanDerWaalsContact CD2-CG2 3.43Å; W238-V250 VanDerWaalsContact CE2-CG2 3.43Å; W238-V250 HydrophobicContact CE3-CB 3.89Å; W238-V250 HydrophobicContact CE3-CG2 3.78Å; W238-V250 HydrophobicContact CG-CG2 3.89Å; W238-V250 HydrophobicContact CH2-CB 4.06Å; W238-V250 HydrophobicContact CH2-CG2 4.1Å; W238-V250 HydrophobicContact CZ2-CB 4.25Å; W238-V250 HydrophobicContact CZ2-CG2 3.79Å; W238-V250 HydrophobicContact CZ3-CB 3.87Å; W238-V250 HydrophobicContact CZ3-CG2 4.1Å; I247-V250 HydrophobicContact CG2-CG2 3.87Å; V250-P252 WeakPolarHBondContact O-CD 3.33Å; V250-L291 CarbonylContact C-O 3.52Å; V250-L291 WeakPolarHBondContact CA-O 3.45Å; V250-L291 HydrophobicContact CG2-CB 4.34Å; V250-L291 HydrophobicContact CG2-CD2 4.38Å; V250-I293 HydrophobicContact CG1-CD1 3.62Å; V250-I293 HydrophobicContact CG1-CG1 4.28Å
251	L	93.1	Very high	85.2	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	90.1	-174.4	-58.3	173.8	0	0	0	110.2	F253 L270 F274 L277 V283 T290 L291 I293	L251-F253 HydrophobicContact CB-CE2 4.05Å; L251-L270 HydrophobicContact CD1-CD2 3.51Å; L251-L270 HydrophobicContact CD2-CD2 4.36Å; L251-L270 HydrophobicContact CG-CD2 4.44Å; L251-F274 HydrophobicContact CB-CE2 4.12Å; L251-F274 HydrophobicContact CD2-CD2 3.86Å; L251-F274 HydrophobicContact CD2-CE2 3.79Å; L251-F274 HydrophobicContact CD2-CG 4.49Å; L251-F274 HydrophobicContact CD2-CZ 4.37Å; L251-L277 HydrophobicContact CD2-CD1 4.33Å; L251-V283 HydrophobicContact CD1-CG1 3.65Å; L251-V283 HydrophobicContact CD2-CG1 4.24Å; L251-V283 HydrophobicContact CG-CG1 4.27Å; L251-T290 HydrophobicContact CD1-CG2 3.71Å; L251-T290 HydrophobicContact CG-CG2 4.16Å; L251-L291 PolarHBondContact N-O 2.93Å; L251-I293 PolarHBondContact O-N 3.19Å
252	P	92.9	Very high	85.3	Confident	11 Å²	11	34.2 Å²	34.2	7%	0.071	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132.2	179.5	32	-35.1	0	0	0	112.5	L140 Y144 I235 V250 F274	L140-P252 HydrophobicContact CD2-CG 4.02Å; Y144-P252 HydrophobicContact CE2-CG 4.09Å; Y144-P252 WeakPolarHBondContact OH-CB 3.45Å; Y144-P252 WeakPolarHBondContact OH-CG 3.41Å; I235-P252 HydrophobicContact CD1-CB 3.73Å; I235-P252 HydrophobicContact CD1-CG 4.01Å; V250-P252 WeakPolarHBondContact O-CD 3.33Å; P252-F274 HydrophobicContact CG-CZ 4.39Å
253	F	90.2	Very high	85.6	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.1	172.3	-65.5	-79.5	0	0	0	109.8	L251 L269 L270 T273 F274 L292 I293 F294 D295	L251-F253 HydrophobicContact CB-CE2 4.05Å; F253-L269 HydrophobicContact CD1-CD1 4.27Å; F253-L269 HydrophobicContact CD1-CD2 4.3Å; F253-L269 HydrophobicContact CD1-CG 4.3Å; F253-L269 HydrophobicContact CE1-CD1 3.83Å; F253-L269 HydrophobicContact CE1-CD2 3.84Å; F253-L269 HydrophobicContact CE1-CG 3.53Å; F253-L269 HydrophobicContact CZ-CD2 3.96Å; F253-L269 HydrophobicContact CZ-CG 3.87Å; F253-L270 HydrophobicContact CE2-CD2 4.5Å; F253-L270 HydrophobicContact CZ-CD2 4.02Å; F253-T273 HydrophobicContact CD1-CG2 4.38Å; F253-T273 HydrophobicContact CE1-CG2 4Å; F253-F274 HydrophobicContact CE1-CE2 4.2Å; F253-F274 HydrophobicContact CE2-CE2 4.43Å; F253-F274 AromaticContact CZ-CE2 3.89Å; F253-F274 HydrophobicContact CZ-CE2 3.89Å; F253-L292 HydrophobicContact CD2-CD1 4.37Å; F253-L292 HydrophobicContact CD2-CD2 4.17Å; F253-L292 HydrophobicContact CD2-CG 4.02Å; F253-L292 HydrophobicContact CE2-CD1 4.03Å; F253-L292 HydrophobicContact CE2-CG 4.04Å; F253-I293 PolarHBondContact N-O 2.79Å; F253-F294 HydrophobicContact CB-CD1 3.92Å; F253-F294 HydrophobicContact CB-CE1 4.17Å; F253-F294 HydrophobicContact CD2-CE1 4.21Å; F253-F294 HydrophobicContact CG-CE1 4.38Å; F253-D295 PolarHBondContact O-N 3.44Å
254	T	87.3	Confident	85.9	Confident	33 Å²	33	35.6 Å²	35.6	20%	0.202	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	117	166.9	-36.8	0	0	0	0	108.1	C256 E257	T254-C256 WeakPolarHBondContact CG2-SG 3.34Å; T254-C256 PolarHBondContact O-N 2.88Å; T254-E257 WeakPolarHBondContact CB-OE1 3.24Å; T254-E257 WeakPolarHBondContact O-CB 3.22Å; T254-E257 PolarHBondContact O-N 3.1Å; T254-E257 PolarHBondContact OG1-OE1 3.26Å
255	L	87.7	Confident	86.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-26.4	-172.7	-77	175.3	0	0	0	113.2	E257 L258 F294 D295 L297 F300 V325	L255-E257 VanDerWaalsContact C-N 3.26Å; L255-E257 PolarHBondContact O-N 2.78Å; L255-L258 HydrophobicContact CD2-CD1 3.8Å; L255-L258 PolarHBondContact O-N 2.9Å; L255-F294 HydrophobicContact CD1-CB 3.93Å; L255-F294 HydrophobicContact CD1-CG 4.49Å; L255-F294 HydrophobicContact CD2-CB 4.33Å; L255-F294 HydrophobicContact CD2-CD1 3.62Å; L255-F294 HydrophobicContact CD2-CE1 4.15Å; L255-F294 HydrophobicContact CD2-CG 4.13Å; L255-F294 HydrophobicContact CG-CB 4.1Å; L255-F294 HydrophobicContact CG-CD1 4.2Å; L255-F294 HydrophobicContact CG-CG 4.44Å; L255-D295 PolarHBondContact N-O 3.33Å; L255-L297 HydrophobicContact CD1-CB 3.65Å; L255-L297 HydrophobicContact CD1-CD1 3.63Å; L255-L297 HydrophobicContact CD1-CG 4.26Å; L255-F300 HydrophobicContact CB-CB 4.3Å; L255-F300 HydrophobicContact CB-CD2 4.32Å; L255-F300 HydrophobicContact CD2-CD2 4.49Å; L255-V325 HydrophobicContact CD2-CG1 4.5Å; L255-V325 HydrophobicContact CD2-CG2 4.1Å
256	C	82.8	Confident	86.8	Confident	6 Å²	6	30.4 Å²	30.4	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-25.3	175.1	67.7	0	0	0	0	113.9	T254 L258 N259 E299 T483	T254-C256 WeakPolarHBondContact CG2-SG 3.34Å; T254-C256 PolarHBondContact O-N 2.88Å; C256-L258 VanDerWaalsContact C-N 3.29Å; C256-N259 WeakPolarHBondContact O-CB 3.47Å; C256-N259 PolarHBondContact O-N 3.25Å; C256-N259 PolarHBondContact O-ND2 2.84Å; C256-E299 HydrophobicContact CB-CB 3.79Å; C256-E299 WeakPolarHBondContact CB-OE2 3.31Å; C256-E299 PolarHBondContact SG-OE2 3.32Å; C256-E299 VanDerWaalsContact SG-OE2 3.39Å; C256-T483 HydrophobicContact CB-CG2 4.02Å
257	E	81.1	Confident	87.1	Confident	30 Å²	30	29.4 Å²	29.4	14%	0.14	16%	0.156	C	C	.	.	H	α-helix	trans	-71.9	-27.4	176.6	-64.1	171.8	-161.6	0	0	111.6	T254 L255 N259 S513	T254-E257 WeakPolarHBondContact CB-OE1 3.24Å; T254-E257 WeakPolarHBondContact O-CB 3.22Å; T254-E257 PolarHBondContact O-N 3.1Å; T254-E257 PolarHBondContact OG1-OE1 3.26Å; L255-E257 VanDerWaalsContact C-N 3.26Å; L255-E257 PolarHBondContact O-N 2.78Å; E257-N259 VanDerWaalsContact C-N 3.27Å; E257-N259 PolarHBondContact O-N 2.82Å; E257-S513 VanDerWaalsContact CD-CB 3.43Å
258	L	84.5	Confident	87.1	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-75.9	-15.5	179.3	-55.2	-173.7	0	0	0	112.8	L255 C256 G260 L261 L269 F300 I321 V325	L255-L258 HydrophobicContact CD2-CD1 3.8Å; L255-L258 PolarHBondContact O-N 2.9Å; C256-L258 VanDerWaalsContact C-N 3.29Å; L258-G260 PolarHBondContact O-N 3.48Å; L258-G260 VanDerWaalsContact O-N 3.09Å; L258-L261 HydrophobicContact CD2-CD1 4.31Å; L258-L261 PolarHBondContact O-N 2.74Å; L258-L269 HydrophobicContact CD2-CD1 3.8Å; L258-F300 HydrophobicContact CB-CE2 4.29Å; L258-I321 HydrophobicContact CB-CD1 4.24Å; L258-I321 HydrophobicContact CB-CG1 3.93Å; L258-I321 HydrophobicContact CD1-CD1 4.25Å; L258-I321 HydrophobicContact CD1-CG1 4.49Å; L258-V325 HydrophobicContact CD1-CG2 4.47Å
259	N	81.2	Confident	87.2	Confident	29 Å²	29	34.3 Å²	34.3	16%	0.155	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19	-178.8	-71.8	-23.7	0	0	0	114.2	C256 E257 L261 E299 F300 R301	C256-N259 WeakPolarHBondContact O-CB 3.47Å; C256-N259 PolarHBondContact O-N 3.25Å; C256-N259 PolarHBondContact O-ND2 2.84Å; E257-N259 VanDerWaalsContact C-N 3.27Å; E257-N259 PolarHBondContact O-N 2.82Å; N259-L261 VanDerWaalsContact C-N 3.29Å; N259-E299 PolarHBondContact ND2-O 3.49Å; N259-F300 VanDerWaalsContact OD1-CD2 3.3Å; N259-F300 WeakPolarHBondContact OD1-CD2 3.4Å; N259-R301 HydrophobicContact CB-CB 4.21Å; N259-R301 VanDerWaalsContact OD1-CB 3.31Å; N259-R301 WeakPolarHBondContact OD1-CB 3.48Å; N259-R301 PolarHBondContact OD1-N 2.94Å
260	G	75.2	Confident	87.2	Confident	49 Å²	49	34.7 Å²	34.7	51%	0.505	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.5	176.9	0	0	0	0	0	114.3	L258	L258-G260 PolarHBondContact O-N 3.48Å; L258-G260 VanDerWaalsContact O-N 3.09Å
261	L	83.3	Confident	86.8	Confident	33 Å²	33	39.9 Å²	39.9	17%	0.173	20%	0.197	C	C	.	.			trans	-112.3	133.5	-173.8	-54.7	174.4	0	0	0	110.2	L258 N259 L264 M272 I321 I515	L258-L261 HydrophobicContact CD2-CD1 4.31Å; L258-L261 PolarHBondContact O-N 2.74Å; N259-L261 VanDerWaalsContact C-N 3.29Å; L261-L264 HydrophobicContact CD1-CD2 4.16Å; L261-M272 HydrophobicContact CD1-CE 3.72Å; L261-M272 HydrophobicContact CD2-CE 4.3Å; L261-I321 VanDerWaalsContact O-CG2 3.3Å; L261-I321 WeakPolarHBondContact O-CG2 3.47Å; L261-I515 HydrophobicContact CD1-CD1 4.39Å; L261-I515 HydrophobicContact CD1-CG2 4.49Å; L261-I515 HydrophobicContact CD2-CG2 3.98Å; L261-I515 HydrophobicContact CG-CG2 4.25Å
262	E	85.3	Confident	86.5	Confident	174 Å²	174	43.4 Å²	43.4	81%	0.813	22%	0.215	S	C	*	.	S	Bend	trans	-89.4	-51.8	177.4	-68.1	-173	171.5	0	0	112.3	S320 I321	E262-S320 WeakPolarHBondContact O-CA 3.47Å; E262-I321 PolarHBondContact O-N 3.41Å
263	K	91.3	Very high	86	Confident	142 Å²	142	44.2 Å²	44.2	62%	0.617	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.5	-179.1	-66.4	-176.8	179.8	179.5	0	111.5	V319	K263-V319 CarbonylContact C-O 3.59Å; K263-V319 WeakPolarHBondContact CA-O 3.49Å
264	L	91	Very high	85.8	Confident	9 Å²	9	44.2 Å²	44.2	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159.5	178.5	-146.7	74.6	0	0	0	111	L261 R268 L269 M272 V319	L261-L264 HydrophobicContact CD1-CD2 4.16Å; L264-R268 HydrophobicContact CD1-CB 4.45Å; L264-R268 HydrophobicContact CD1-CG 4.06Å; L264-R268 HydrophobicContact CG-CB 4.24Å; L264-R268 HydrophobicContact CG-CG 4.39Å; L264-L269 HydrophobicContact CD2-CB 3.66Å; L264-L269 HydrophobicContact CD2-CD1 3.7Å; L264-L269 HydrophobicContact CD2-CG 4.24Å; L264-M272 HydrophobicContact CD2-CE 4.19Å; L264-V319 PolarHBondContact N-O 3.24Å; L264-V319 PolarHBondContact O-N 3.08Å
265	S	91.5	Very high	85.7	Confident	8 Å²	8	47.6 Å²	47.6	6%	0.056	24%	0.242	C	C	.	.			trans	-101.6	157.6	167	70.3	0	0	0	0	110.8	E267 R268 L269 P315 K316 K317	S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 2.92Å; S265-R268 PolarHBondContact O-N 3.48Å; S265-R268 VanDerWaalsContact OG-CB 3.3Å; S265-R268 WeakPolarHBondContact OG-CB 3.35Å; S265-R268 PolarHBondContact OG-N 3.37Å; S265-L269 PolarHBondContact O-N 3.03Å; S265-P315 WeakPolarHBondContact CB-O 3.44Å; S265-K316 VanDerWaalsContact CB-C 3.47Å; S265-K316 VanDerWaalsContact CB-O 3.23Å; S265-K316 WeakPolarHBondContact CB-O 3.45Å; S265-K317 WeakPolarHBondContact CA-O 3.48Å; S265-K317 VanDerWaalsContact CB-O 3.22Å; S265-K317 WeakPolarHBondContact CB-O 3.44Å
266	A	88.4	Confident	85.5	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-39.1	178.4	0	0	0	0	0	112	R268 L269 L270 P315 L324 L333	A266-R268 PolarHBondContact O-N 3.48Å; A266-L269 WeakPolarHBondContact O-CB 3.39Å; A266-L269 PolarHBondContact O-N 3.37Å; A266-L270 WeakPolarHBondContact O-CG 3.46Å; A266-L270 PolarHBondContact O-N 3.5Å; A266-L270 VanDerWaalsContact O-N 3.14Å; A266-P315 HydrophobicContact CB-CB 4.27Å; A266-P315 PolarHBondContact N-O 3.43Å; A266-L324 HydrophobicContact CB-CD1 4.19Å; A266-L333 HydrophobicContact CB-CD2 3.76Å; A266-L333 HydrophobicContact CB-CG 4.44Å
267	E	87.2	Confident	85.4	Confident	37 Å²	37	50 Å²	50	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-42.1	177.9	-166.9	-177.7	153.1	0	0	111.9	S265 L269 L270 K271 P280 P315 K316	S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 2.92Å; E267-L269 VanDerWaalsContact C-N 3.35Å; E267-L270 PolarHBondContact O-N 2.9Å; E267-K271 HydrophobicContact CG-CD 4.41Å; E267-K271 PolarHBondContact O-N 2.98Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 2.62Å; E267-K271 PolarHBondContact OE1-NZ 3.35Å; E267-P280 HydrophobicContact CG-CB 3.71Å; E267-P280 HydrophobicContact CG-CG 3.58Å; E267-P315 PolarHBondContact N-O 2.84Å; E267-K316 WeakPolarHBondContact OE2-CE 3.26Å; E267-K316 WeakPolarHBondContact OE2-CG 3.3Å
268	R	87.8	Confident	84.5	Confident	140 Å²	140	53 Å²	53	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-69.9	-34.2	179.3	-167.9	169.1	-175.4	167.3	3.2	111.7	L264 S265 A266 M272 E318	L264-R268 HydrophobicContact CD1-CB 4.45Å; L264-R268 HydrophobicContact CD1-CG 4.06Å; L264-R268 HydrophobicContact CG-CB 4.24Å; L264-R268 HydrophobicContact CG-CG 4.39Å; S265-R268 PolarHBondContact O-N 3.48Å; S265-R268 VanDerWaalsContact OG-CB 3.3Å; S265-R268 WeakPolarHBondContact OG-CB 3.35Å; S265-R268 PolarHBondContact OG-N 3.37Å; A266-R268 PolarHBondContact O-N 3.48Å; R268-M272 WeakPolarHBondContact O-CB 3.45Å; R268-M272 PolarHBondContact O-N 3.23Å; R268-E318 IonicContact CZ-OE1 3.48Å; R268-E318 IonicContact NH1-OE1 3.28Å; R268-E318 PolarHBondContact NH1-OE1 3.42Å
269	L	88.3	Confident	83.8	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-50.8	171.3	-173.5	57.7	0	0	0	111.1	F253 L258 L264 S265 A266 E267 M272 T273 L324	F253-L269 HydrophobicContact CD1-CD1 4.27Å; F253-L269 HydrophobicContact CD1-CD2 4.3Å; F253-L269 HydrophobicContact CD1-CG 4.3Å; F253-L269 HydrophobicContact CE1-CD1 3.83Å; F253-L269 HydrophobicContact CE1-CD2 3.84Å; F253-L269 HydrophobicContact CE1-CG 3.53Å; F253-L269 HydrophobicContact CZ-CD2 3.96Å; F253-L269 HydrophobicContact CZ-CG 3.87Å; L258-L269 HydrophobicContact CD2-CD1 3.8Å; L264-L269 HydrophobicContact CD2-CB 3.66Å; L264-L269 HydrophobicContact CD2-CD1 3.7Å; L264-L269 HydrophobicContact CD2-CG 4.24Å; S265-L269 PolarHBondContact O-N 3.03Å; A266-L269 WeakPolarHBondContact O-CB 3.39Å; A266-L269 PolarHBondContact O-N 3.37Å; E267-L269 VanDerWaalsContact C-N 3.35Å; L269-M272 PolarHBondContact O-N 3.14Å; L269-T273 PolarHBondContact O-N 2.86Å; L269-T273 PolarHBondContact O-OG1 3.01Å; L269-T273 VanDerWaalsContact O-OG1 3.13Å; L269-L324 HydrophobicContact CD2-CD2 4.11Å
270	L	87.5	Confident	83	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-45.7	-179.7	-66.8	171.6	0	0	0	112.3	L251 F253 A266 E267 M272 T273 F274 P280 L284	L251-L270 HydrophobicContact CD1-CD2 3.51Å; L251-L270 HydrophobicContact CD2-CD2 4.36Å; L251-L270 HydrophobicContact CG-CD2 4.44Å; F253-L270 HydrophobicContact CE2-CD2 4.5Å; F253-L270 HydrophobicContact CZ-CD2 4.02Å; A266-L270 WeakPolarHBondContact O-CG 3.46Å; A266-L270 PolarHBondContact O-N 3.5Å; A266-L270 VanDerWaalsContact O-N 3.14Å; E267-L270 PolarHBondContact O-N 2.9Å; L270-M272 VanDerWaalsContact C-N 3.3Å; L270-M272 PolarHBondContact O-N 2.71Å; L270-T273 PolarHBondContact O-N 3.49Å; L270-F274 HydrophobicContact CD2-CD2 4.47Å; L270-F274 WeakPolarHBondContact O-CA 3.32Å; L270-F274 PolarHBondContact O-N 3.46Å; L270-P280 HydrophobicContact CD1-CB 4.27Å; L270-L284 HydrophobicContact CD1-CD1 4.04Å; L270-L284 HydrophobicContact CD1-CD2 3.86Å; L270-L284 HydrophobicContact CD1-CG 4.02Å
271	K	86.3	Confident	82.6	Confident	108 Å²	108	54 Å²	54	47%	0.47	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-38.4	178	-78.5	174.7	165.5	165	0	112.6	E267 P275 P280	E267-K271 HydrophobicContact CG-CD 4.41Å; E267-K271 PolarHBondContact O-N 2.98Å; E267-K271 WeakPolarHBondContact OE1-CE 3.37Å; E267-K271 IonicContact OE1-NZ 2.62Å; E267-K271 PolarHBondContact OE1-NZ 3.35Å; K271-P275 WeakPolarHBondContact O-CA 3.46Å; K271-P280 HydrophobicContact CD-CG 4.07Å; K271-P280 HydrophobicContact CG-CG 3.65Å
272	M	85.3	Confident	81.8	Confident	76 Å²	76	52.6 Å²	52.6	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-74.3	-40.7	-178	-168.8	172.5	70.1	0	0	112.1	L261 L264 R268 L269 L270 I515	L261-M272 HydrophobicContact CD1-CE 3.72Å; L261-M272 HydrophobicContact CD2-CE 4.3Å; L264-M272 HydrophobicContact CD2-CE 4.19Å; R268-M272 WeakPolarHBondContact O-CB 3.45Å; R268-M272 PolarHBondContact O-N 3.23Å; L269-M272 PolarHBondContact O-N 3.14Å; L270-M272 VanDerWaalsContact C-N 3.3Å; L270-M272 PolarHBondContact O-N 2.71Å; M272-I515 HydrophobicContact CE-CD1 3.89Å; M272-I515 HydrophobicContact CE-CG1 4.18Å
273	T	83.6	Confident	81.1	Confident	29 Å²	29	44.5 Å²	44.5	18%	0.178	24%	0.242	C	C	.	.	H	α-helix	trans	-82.8	-33.8	-178	-52.9	0	0	0	0	112.7	F253 L269 L270 P275	F253-T273 HydrophobicContact CD1-CG2 4.38Å; F253-T273 HydrophobicContact CE1-CG2 4Å; L269-T273 PolarHBondContact O-N 2.86Å; L269-T273 PolarHBondContact O-OG1 3.01Å; L269-T273 VanDerWaalsContact O-OG1 3.13Å; L270-T273 PolarHBondContact O-N 3.49Å; T273-P275 VanDerWaalsContact C-CD 3.48Å; T273-P275 WeakPolarHBondContact O-CD 3.41Å
274	F	86.3	Confident	80.1	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.026	22%	0.222	C	C	.	.			trans	-127.7	65.5	-176.9	-53.4	-70.5	0	0	0	111.7	H136 L140 L251 P252 F253 L270 H276 L277	H136-F274 AromaticContact CE1-CD1 3.9Å; L140-F274 HydrophobicContact CD2-CE1 4.1Å; L251-F274 HydrophobicContact CB-CE2 4.12Å; L251-F274 HydrophobicContact CD2-CD2 3.86Å; L251-F274 HydrophobicContact CD2-CE2 3.79Å; L251-F274 HydrophobicContact CD2-CG 4.49Å; L251-F274 HydrophobicContact CD2-CZ 4.37Å; P252-F274 HydrophobicContact CG-CZ 4.39Å; F253-F274 HydrophobicContact CE1-CE2 4.2Å; F253-F274 HydrophobicContact CE2-CE2 4.43Å; F253-F274 AromaticContact CZ-CE2 3.89Å; F253-F274 HydrophobicContact CZ-CE2 3.89Å; L270-F274 HydrophobicContact CD2-CD2 4.47Å; L270-F274 WeakPolarHBondContact O-CA 3.32Å; L270-F274 PolarHBondContact O-N 3.46Å; F274-H276 AromaticContact CD1-CE1 4Å; F274-H276 PolarHBondContact O-N 3.14Å; F274-H276 VanDerWaalsContact O-N 3.08Å; F274-L277 HydrophobicContact CB-CD1 3.52Å; F274-L277 HydrophobicContact CB-CG 3.98Å; F274-L277 HydrophobicContact CG-CD1 4.17Å; F274-L277 WeakPolarHBondContact O-CB 3.27Å; F274-L277 PolarHBondContact O-N 3.28Å; F274-L277 VanDerWaalsContact O-N 3.09Å
275	P	84.4	Confident	79.2	Confident	103 Å²	103	41.6 Å²	41.6	67%	0.669	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.3	-174.3	27.5	-36.3	0	0	0	114.1	K271 T273 L277	K271-P275 WeakPolarHBondContact O-CA 3.46Å; T273-P275 VanDerWaalsContact C-CD 3.48Å; T273-P275 WeakPolarHBondContact O-CD 3.41Å; P275-L277 VanDerWaalsContact C-N 3.28Å
276	H	83.1	Confident	78	Confident	37 Å²	37	46.8 Å²	46.8	17%	0.171	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.4	176.1	59.5	-75.2	0	0	0	114	H136 F274	H136-H276 AromaticContact CG-NE2 3.85Å; H136-H276 AromaticContact ND1-CE1 3.86Å; H136-H276 AromaticContact ND1-NE2 3.15Å; H136-H276 PolarHBondContact ND1-NE2 3.41Å; H136-H276 VanDerWaalsContact ND1-NE2 3.15Å; F274-H276 AromaticContact CD1-CE1 4Å; F274-H276 PolarHBondContact O-N 3.14Å; F274-H276 VanDerWaalsContact O-N 3.08Å
277	L	82	Confident	76.9	Confident	19 Å²	19	48.2 Å²	48.2	10%	0.099	27%	0.272	C	S	.	.	S	Bend	trans	-84.5	117.3	176.5	-64.6	175.5	0	0	0	109.6	T132 H136 F249 L251 F274 P275 A279 V283	T132-L277 HydrophobicContact CG2-CD2 3.63Å; H136-L277 HydrophobicContact CB-CD2 4.16Å; F249-L277 HydrophobicContact CE1-CD2 4.21Å; L251-L277 HydrophobicContact CD2-CD1 4.33Å; F274-L277 HydrophobicContact CB-CD1 3.52Å; F274-L277 HydrophobicContact CB-CG 3.98Å; F274-L277 HydrophobicContact CG-CD1 4.17Å; F274-L277 WeakPolarHBondContact O-CB 3.27Å; F274-L277 PolarHBondContact O-N 3.28Å; F274-L277 VanDerWaalsContact O-N 3.09Å; P275-L277 VanDerWaalsContact C-N 3.28Å; L277-A279 PolarHBondContact O-N 2.6Å; L277-V283 HydrophobicContact CD1-CG2 4.05Å
278	P	61.6	Low	76.3	Confident	93 Å²	93	46.7 Å²	46.7	60%	0.604	27%	0.265	S	S	*	.	S	Bend	trans	-69.1	-25.3	-166.1	24.1	-32.1	0	0	0	114.5	T132	T132-P278 HydrophobicContact CG2-CG 4.37Å
279	A	68.5	Low	76.1	Confident	47 Å²	47	42.9 Å²	42.9	39%	0.388	25%	0.251	S	S	.	.			trans	-154.4	128.3	172.4	0	0	0	0	0	111.4	L277 G281 L282	L277-A279 PolarHBondContact O-N 2.6Å; A279-G281 PolarHBondContact O-N 2.87Å; A279-L282 WeakPolarHBondContact O-CB 3.04Å; A279-L282 PolarHBondContact O-N 3.17Å
280	P	66.3	Low	76.2	Confident	11 Å²	11	42.7 Å²	42.7	7%	0.071	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-26.4	176.5	-26	36.7	0	0	0	113.7	E267 L270 K271 L282 V283 L284	E267-P280 HydrophobicContact CG-CB 3.71Å; E267-P280 HydrophobicContact CG-CG 3.58Å; L270-P280 HydrophobicContact CD1-CB 4.27Å; K271-P280 HydrophobicContact CD-CG 4.07Å; K271-P280 HydrophobicContact CG-CG 3.65Å; P280-L282 PolarHBondContact O-N 2.81Å; P280-V283 PolarHBondContact O-N 2.79Å; P280-V283 VanDerWaalsContact O-N 3.09Å; P280-L284 VanDerWaalsContact O-CG 3.31Å; P280-L284 WeakPolarHBondContact O-CG 3.43Å; P280-L284 PolarHBondContact O-N 2.83Å; P280-L284 VanDerWaalsContact O-N 3.11Å
281	G	65.4	Low	76.5	Confident	45 Å²	45	42.2 Å²	42.2	46%	0.464	25%	0.248	S	C	.	.	H	α-helix	trans	-58.2	-30.9	175.8	0	0	0	0	0	113.8	A279 N285	A279-G281 PolarHBondContact O-N 2.87Å; G281-N285 WeakPolarHBondContact O-CB 3.34Å; G281-N285 PolarHBondContact O-N 2.82Å
282	L	66.8	Low	76.9	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-39.4	174.8	172.4	61	0	0	0	112.4	L125 T132 F249 A279 P280 C288	L125-L282 HydrophobicContact CB-CD1 3.77Å; L125-L282 HydrophobicContact CD1-CD1 3.99Å; L125-L282 HydrophobicContact CD2-CB 3.54Å; L125-L282 HydrophobicContact CD2-CD1 3.24Å; L125-L282 HydrophobicContact CD2-CD2 4.4Å; L125-L282 HydrophobicContact CD2-CG 3.83Å; L125-L282 HydrophobicContact CG-CD1 3.77Å; T132-L282 HydrophobicContact CG2-CD2 4.18Å; F249-L282 HydrophobicContact CE2-CG 4.29Å; F249-L282 HydrophobicContact CZ-CD2 4.12Å; F249-L282 HydrophobicContact CZ-CG 4.19Å; A279-L282 WeakPolarHBondContact O-CB 3.04Å; A279-L282 PolarHBondContact O-N 3.17Å; P280-L282 PolarHBondContact O-N 2.81Å; L282-C288 PolarHBondContact O-SG 3.36Å
283	V	71.6	Confident	77.4	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-82.5	-25.9	-174	-172.7	0	0	0	0	111.3	F249 L251 L277 P280 T290	F249-V283 HydrophobicContact CB-CG1 4.08Å; F249-V283 HydrophobicContact CD1-CG2 4.46Å; F249-V283 HydrophobicContact CD2-CG1 4.32Å; F249-V283 HydrophobicContact CE1-CG2 4.45Å; F249-V283 HydrophobicContact CG-CG1 4.11Å; L251-V283 HydrophobicContact CD1-CG1 3.65Å; L251-V283 HydrophobicContact CD2-CG1 4.24Å; L251-V283 HydrophobicContact CG-CG1 4.27Å; L277-V283 HydrophobicContact CD1-CG2 4.05Å; P280-V283 PolarHBondContact O-N 2.79Å; P280-V283 VanDerWaalsContact O-N 3.09Å; V283-T290 HydrophobicContact CG1-CG2 3.89Å; V283-T290 PolarHBondContact O-OG1 2.74Å
284	L	70.2	Confident	78	Confident	37 Å²	37	32.3 Å²	32.3	19%	0.194	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	7.5	-179.8	-59.3	-177.8	0	0	0	113.2	L270 P280 P315 L334	L270-L284 HydrophobicContact CD1-CD1 4.04Å; L270-L284 HydrophobicContact CD1-CD2 3.86Å; L270-L284 HydrophobicContact CD1-CG 4.02Å; P280-L284 VanDerWaalsContact O-CG 3.31Å; P280-L284 WeakPolarHBondContact O-CG 3.43Å; P280-L284 PolarHBondContact O-N 2.83Å; P280-L284 VanDerWaalsContact O-N 3.11Å; L284-P315 HydrophobicContact CD1-CB 4.35Å; L284-L334 HydrophobicContact CD1-CD2 3.91Å; L284-L334 HydrophobicContact CD2-CD1 3.8Å; L284-L334 HydrophobicContact CD2-CD2 3.48Å; L284-L334 VanDerWaalsContact CD2-CD2 3.48Å; L284-L334 HydrophobicContact CD2-CG 4.22Å; L284-L334 HydrophobicContact CG-CD2 4.19Å
285	N	71.7	Confident	78.3	Confident	53 Å²	53	32.5 Å²	32.5	28%	0.283	20%	0.202	S	C	.	.			trans	-79.5	134.2	177.7	-171.4	-44.4	0	0	0	110.7	G281 A287 C288	G281-N285 WeakPolarHBondContact O-CB 3.34Å; G281-N285 PolarHBondContact O-N 2.82Å; N285-A287 PolarHBondContact O-N 2.59Å; N285-A287 VanDerWaalsContact O-N 3.13Å; N285-A287 WeakPolarHBondContact OD1-CB 3.44Å; N285-A287 PolarHBondContact OD1-N 2.92Å; N285-C288 WeakPolarHBondContact O-CA 3.42Å; N285-C288 WeakPolarHBondContact O-CB 3.46Å; N285-C288 PolarHBondContact O-N 2.83Å
286	D	66.6	Low	78.6	Confident	118 Å²	118	27.8 Å²	27.8	63%	0.631	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.9	-178.2	-52.2	-8.7	0	0	0	113.6	C288	D286-C288 VanDerWaalsContact C-N 3.27Å; D286-C288 PolarHBondContact O-N 2.95Å
287	A	65.6	Low	79.1	Confident	34 Å²	34	26.3 Å²	26.3	28%	0.281	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.1	173.4	0	0	0	0	0	113.2	S55 F56 N285	S55-A287 WeakPolarHBondContact O-CB 3.41Å; F56-A287 HydrophobicContact CD1-CB 3.74Å; F56-A287 HydrophobicContact CE1-CB 4.08Å; N285-A287 PolarHBondContact O-N 2.59Å; N285-A287 VanDerWaalsContact O-N 3.13Å; N285-A287 WeakPolarHBondContact OD1-CB 3.44Å; N285-A287 PolarHBondContact OD1-N 2.92Å
288	C	73.1	Confident	79.3	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.034	17%	0.165	C	C	.	.	S	Bend	trans	-90.2	107	176.6	-79.5	0	0	0	0	109.9	F56 F249 L282 N285 D286 T290	F56-C288 WeakPolarHBondContact CE1-SG 3.25Å; F249-C288 HydrophobicContact CD2-CB 4.37Å; L282-C288 PolarHBondContact O-SG 3.36Å; N285-C288 WeakPolarHBondContact O-CA 3.42Å; N285-C288 WeakPolarHBondContact O-CB 3.46Å; N285-C288 PolarHBondContact O-N 2.83Å; D286-C288 VanDerWaalsContact C-N 3.27Å; D286-C288 PolarHBondContact O-N 2.95Å; C288-T290 PolarHBondContact O-N 3.2Å; C288-T290 PolarHBondContact O-OG1 2.96Å
289	R	84.1	Confident	80.4	Confident	59 Å²	59	24.2 Å²	24.2	22%	0.223	15%	0.147	C	C	.	.			trans	-66.3	101.3	167.1	-168.9	174.8	-179.9	-172.3	-9.6	110.6	F204 D246 I247 H248	F204-R289 PolarHBondContact O-NH2 3.01Å; D246-R289 WeakPolarHBondContact O-CB 3.4Å; D246-R289 IonicContact OD2-CZ 2.69Å; D246-R289 IonicContact OD2-NH1 3.32Å; D246-R289 PolarHBondContact OD2-NH1 2.93Å; I247-R289 HydrophobicContact CG1-CG 4.45Å; H248-R289 PolarHBondContact N-O 2.96Å; H248-R289 PolarHBondContact ND1-N 3.27Å
290	T	89.8	Confident	81.3	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.5	179.9	-65	0	0	0	0	110.6	F249 L251 V283 C288 V337 S338	F249-T290 HydrophobicContact CB-CG2 4.08Å; F249-T290 WeakPolarHBondContact O-CA 3.3Å; L251-T290 HydrophobicContact CD1-CG2 3.71Å; L251-T290 HydrophobicContact CG-CG2 4.16Å; V283-T290 HydrophobicContact CG1-CG2 3.89Å; V283-T290 PolarHBondContact O-OG1 2.74Å; C288-T290 PolarHBondContact O-N 3.2Å; C288-T290 PolarHBondContact O-OG1 2.96Å; T290-V337 HydrophobicContact CG2-CG1 4.2Å; T290-V337 HydrophobicContact CG2-CG2 4.49Å; T290-S338 PolarHBondContact O-N 3.47Å
291	L	93.5	Very high	81.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.3	172.7	175.8	64.7	0	0	0	110.1	F204 F234 I247 F249 V250 L251 I293 S338 W340	F204-L291 HydrophobicContact CD1-CD1 4.28Å; F204-L291 HydrophobicContact CD2-CD2 4.33Å; F204-L291 HydrophobicContact CE1-CD1 3.78Å; F204-L291 HydrophobicContact CE1-CD2 4.36Å; F204-L291 HydrophobicContact CE2-CD2 3.65Å; F204-L291 HydrophobicContact CZ-CD1 3.89Å; F204-L291 HydrophobicContact CZ-CD2 3.66Å; F204-L291 HydrophobicContact CZ-CG 4.45Å; F234-L291 HydrophobicContact CE1-CD2 3.53Å; F234-L291 HydrophobicContact CZ-CD2 3.65Å; I247-L291 HydrophobicContact CD1-CB 4.26Å; I247-L291 HydrophobicContact CD1-CD2 4.12Å; I247-L291 HydrophobicContact CG2-CB 3.76Å; F249-L291 PolarHBondContact O-N 3.3Å; V250-L291 CarbonylContact C-O 3.52Å; V250-L291 WeakPolarHBondContact CA-O 3.45Å; V250-L291 HydrophobicContact CG2-CB 4.34Å; V250-L291 HydrophobicContact CG2-CD2 4.38Å; L251-L291 PolarHBondContact N-O 2.93Å; L291-I293 HydrophobicContact CD2-CD1 4.26Å; L291-I293 HydrophobicContact CD2-CG1 4.16Å; L291-I293 HydrophobicContact CG-CG1 4.04Å; L291-S338 CarbonylContact C-O 3.57Å; L291-S338 WeakPolarHBondContact CA-O 3.48Å; L291-W340 HydrophobicContact CD1-CB 4.05Å
292	L	95.4	Very high	82.4	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.9	170.4	-169.1	152.9	0	0	0	109.3	F253 F294 I328 L334 V337 S338 V339 W340	F253-L292 HydrophobicContact CD2-CD1 4.37Å; F253-L292 HydrophobicContact CD2-CD2 4.17Å; F253-L292 HydrophobicContact CD2-CG 4.02Å; F253-L292 HydrophobicContact CE2-CD1 4.03Å; F253-L292 HydrophobicContact CE2-CG 4.04Å; L292-F294 HydrophobicContact CD1-CZ 4.32Å; L292-F294 HydrophobicContact CD2-CD1 3.69Å; L292-F294 HydrophobicContact CD2-CD2 3.53Å; L292-F294 HydrophobicContact CD2-CE1 3.51Å; L292-F294 HydrophobicContact CD2-CE2 3.35Å; L292-F294 HydrophobicContact CD2-CG 3.7Å; L292-F294 HydrophobicContact CD2-CZ 3.34Å; L292-F294 HydrophobicContact CG-CZ 4.46Å; L292-I328 HydrophobicContact CD1-CG2 4.39Å; L292-L334 HydrophobicContact CD1-CD1 4.41Å; L292-V337 HydrophobicContact CB-CG1 3.77Å; L292-S338 PolarHBondContact N-O 3.18Å; L292-V339 HydrophobicContact CD2-CG1 4.36Å; L292-V339 CarbonylContact O-C 3.56Å; L292-V339 WeakPolarHBondContact O-CA 3.47Å; L292-W340 PolarHBondContact O-N 2.69Å
293	I	96.4	Very high	82.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.6	177.9	-50.5	176.2	0	0	0	109.1	V231 F234 I235 V250 L251 F253 L291 W340	V231-I293 HydrophobicContact CG1-CD1 4.31Å; V231-I293 HydrophobicContact CG1-CG2 3.85Å; V231-I293 HydrophobicContact CG2-CG2 4.13Å; F234-I293 HydrophobicContact CD1-CD1 4.01Å; F234-I293 HydrophobicContact CE1-CD1 4.16Å; I235-I293 HydrophobicContact CD1-CD1 4.35Å; I235-I293 HydrophobicContact CG1-CD1 4.14Å; V250-I293 HydrophobicContact CG1-CD1 3.62Å; V250-I293 HydrophobicContact CG1-CG1 4.28Å; L251-I293 PolarHBondContact O-N 3.19Å; F253-I293 PolarHBondContact N-O 2.79Å; L291-I293 HydrophobicContact CD2-CD1 4.26Å; L291-I293 HydrophobicContact CD2-CG1 4.16Å; L291-I293 HydrophobicContact CG-CG1 4.04Å; I293-W340 CarbonylContact C-O 3.58Å; I293-W340 WeakPolarHBondContact CA-O 3.32Å; I293-W340 HydrophobicContact CD1-CE3 3.73Å; I293-W340 HydrophobicContact CD1-CZ3 4.08Å; I293-W340 HydrophobicContact CG1-CB 4.37Å; I293-W340 HydrophobicContact CG1-CE3 3.93Å; I293-W340 HydrophobicContact CG2-CB 4.46Å; I293-W340 HydrophobicContact CG2-CD2 4.29Å; I293-W340 HydrophobicContact CG2-CE3 3.95Å
294	F	95.6	Very high	83.4	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	98.3	168.6	-74	-45.9	0	0	0	109.4	F253 L255 L292 V325 I328 V339 W340 V341 T342	F253-F294 HydrophobicContact CB-CD1 3.92Å; F253-F294 HydrophobicContact CB-CE1 4.17Å; F253-F294 HydrophobicContact CD2-CE1 4.21Å; F253-F294 HydrophobicContact CG-CE1 4.38Å; L255-F294 HydrophobicContact CD1-CB 3.93Å; L255-F294 HydrophobicContact CD1-CG 4.49Å; L255-F294 HydrophobicContact CD2-CB 4.33Å; L255-F294 HydrophobicContact CD2-CD1 3.62Å; L255-F294 HydrophobicContact CD2-CE1 4.15Å; L255-F294 HydrophobicContact CD2-CG 4.13Å; L255-F294 HydrophobicContact CG-CB 4.1Å; L255-F294 HydrophobicContact CG-CD1 4.2Å; L255-F294 HydrophobicContact CG-CG 4.44Å; L292-F294 HydrophobicContact CD1-CZ 4.32Å; L292-F294 HydrophobicContact CD2-CD1 3.69Å; L292-F294 HydrophobicContact CD2-CD2 3.53Å; L292-F294 HydrophobicContact CD2-CE1 3.51Å; L292-F294 HydrophobicContact CD2-CE2 3.35Å; L292-F294 HydrophobicContact CD2-CG 3.7Å; L292-F294 HydrophobicContact CD2-CZ 3.34Å; L292-F294 HydrophobicContact CG-CZ 4.46Å; F294-V325 HydrophobicContact CD2-CG1 4.34Å; F294-V325 HydrophobicContact CE1-CG2 4.34Å; F294-V325 HydrophobicContact CE2-CG1 4.05Å; F294-V325 HydrophobicContact CZ-CG1 4.31Å; F294-V325 HydrophobicContact CZ-CG2 4.18Å; F294-I328 HydrophobicContact CE2-CB 4.29Å; F294-I328 HydrophobicContact CE2-CG2 3.83Å; F294-I328 HydrophobicContact CZ-CD1 3.97Å; F294-I328 HydrophobicContact CZ-CG2 4.23Å; F294-V339 HydrophobicContact CD2-CG1 3.92Å; F294-V339 HydrophobicContact CE2-CG1 4.29Å; F294-W340 PolarHBondContact N-O 2.84Å; F294-V341 HydrophobicContact CB-CG1 4.48Å; F294-V341 HydrophobicContact CB-CG2 4.37Å; F294-V341 HydrophobicContact CD2-CG2 4.4Å; F294-V341 WeakPolarHBondContact O-CA 3.49Å; F294-T342 PolarHBondContact O-N 3.49Å
295	D	93.4	Very high	84	Confident	10 Å²	10	39 Å²	39	5%	0.053	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.6	179.6	-168.1	36.5	0	0	0	111	T228 V231 F253 L255 T342	T228-D295 WeakPolarHBondContact CA-OD2 3.46Å; T228-D295 WeakPolarHBondContact CB-OD2 3.32Å; T228-D295 WeakPolarHBondContact CG2-OD2 3.4Å; T228-D295 PolarHBondContact OG1-OD2 3.43Å; V231-D295 HydrophobicContact CG2-CB 4.46Å; F253-D295 PolarHBondContact O-N 3.44Å; L255-D295 PolarHBondContact N-O 3.33Å; D295-T342 WeakPolarHBondContact CA-OG1 3.3Å; D295-T342 PolarHBondContact OD1-OG1 3.35Å
296	G	90.9	Very high	84.8	Confident	3 Å²	3	37.4 Å²	37.4	3%	0.031	19%	0.191	C	C	.	.			trans	82.7	53.3	171.2	0	0	0	0	0	115.1	D298 E299 T342	G296-D298 PolarHBondContact O-N 3.09Å; G296-E299 WeakPolarHBondContact O-CB 3.32Å; G296-E299 PolarHBondContact O-N 3.34Å; G296-T342 PolarHBondContact N-O 2.93Å; G296-T342 PolarHBondContact N-OG1 3.15Å
297	L	91.7	Very high	85.6	Confident	6 Å²	6	36.7 Å²	36.7	3%	0.031	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60	-28.2	177.4	178.2	65.1	0	0	0	113.6	L255 E299 F300 L304 V341 T342 V347 I351	L255-L297 HydrophobicContact CD1-CB 3.65Å; L255-L297 HydrophobicContact CD1-CD1 3.63Å; L255-L297 HydrophobicContact CD1-CG 4.26Å; L297-E299 PolarHBondContact O-N 3.35Å; L297-F300 HydrophobicContact CD1-CB 4.3Å; L297-F300 WeakPolarHBondContact O-CB 3.47Å; L297-F300 PolarHBondContact O-N 3.11Å; L297-L304 HydrophobicContact CD1-CD1 3.54Å; L297-L304 HydrophobicContact CD1-CG 4.12Å; L297-L304 HydrophobicContact CD2-CD1 4.35Å; L297-V341 HydrophobicContact CB-CG1 4.15Å; L297-V341 HydrophobicContact CD2-CG1 4.11Å; L297-T342 PolarHBondContact N-O 3.06Å; L297-V347 HydrophobicContact CD2-CG1 4.29Å; L297-V347 HydrophobicContact CG-CG1 3.95Å; L297-I351 HydrophobicContact CD2-CD1 3.85Å; L297-I351 HydrophobicContact CD2-CG1 4.29Å
298	D	87.2	Confident	86.3	Confident	21 Å²	21	41.2 Å²	41.2	11%	0.112	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-68.5	-11.1	173.6	53.2	-70.5	0	0	0	114.7	G296 S343 R344 V347	G296-D298 PolarHBondContact O-N 3.09Å; D298-S343 WeakPolarHBondContact OD1-CA 3.5Å; D298-R344 HydrophobicContact CB-CB 4.05Å; D298-R344 HydrophobicContact CB-CG 4.09Å; D298-R344 PolarHBondContact OD1-N 2.78Å; D298-R344 VanDerWaalsContact OD1-N 3.15Å; D298-R344 WeakPolarHBondContact OD2-CD 3.3Å; D298-R344 VanDerWaalsContact OD2-CG 3.3Å; D298-R344 WeakPolarHBondContact OD2-CG 3.41Å; D298-R344 IonicContact OD2-NE 3.66Å; D298-V347 HydrophobicContact CB-CB 4.17Å; D298-V347 HydrophobicContact CB-CG2 3.85Å
299	E	85.3	Confident	86.8	Confident	47 Å²	47	41.4 Å²	41.4	22%	0.22	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-99.1	1.4	175.2	-54.7	-174.8	179.3	0	0	112.7	C256 N259 G296 L297 T483	C256-E299 HydrophobicContact CB-CB 3.79Å; C256-E299 WeakPolarHBondContact CB-OE2 3.31Å; C256-E299 PolarHBondContact SG-OE2 3.32Å; C256-E299 VanDerWaalsContact SG-OE2 3.39Å; N259-E299 PolarHBondContact ND2-O 3.49Å; G296-E299 WeakPolarHBondContact O-CB 3.32Å; G296-E299 PolarHBondContact O-N 3.34Å; L297-E299 PolarHBondContact O-N 3.35Å; E299-T483 HydrophobicContact CB-CG2 3.89Å; E299-T483 HydrophobicContact CG-CG2 4.31Å
300	F	86.5	Confident	87	Confident	19 Å²	19	41.5 Å²	41.5	8%	0.083	23%	0.23	C	C	.	.			trans	-78.6	133.5	176.8	-166.9	-120.6	0	0	0	110.7	L255 L258 N259 L297 S302 L304 I321 D322	L255-F300 HydrophobicContact CB-CB 4.3Å; L255-F300 HydrophobicContact CB-CD2 4.32Å; L255-F300 HydrophobicContact CD2-CD2 4.49Å; L258-F300 HydrophobicContact CB-CE2 4.29Å; N259-F300 VanDerWaalsContact OD1-CD2 3.3Å; N259-F300 WeakPolarHBondContact OD1-CD2 3.4Å; L297-F300 HydrophobicContact CD1-CB 4.3Å; L297-F300 WeakPolarHBondContact O-CB 3.47Å; L297-F300 PolarHBondContact O-N 3.11Å; F300-S302 WeakPolarHBondContact CD1-O 3.21Å; F300-S302 PolarHBondContact O-N 2.74Å; F300-L304 HydrophobicContact CD1-CD2 3.94Å; F300-L304 HydrophobicContact CD1-CG 4.4Å; F300-L304 HydrophobicContact CE1-CD2 3.56Å; F300-L304 HydrophobicContact CE1-CG 4.47Å; F300-I321 HydrophobicContact CE2-CG1 4.31Å; F300-I321 HydrophobicContact CE2-CG2 4.31Å; F300-I321 HydrophobicContact CZ-CG1 4.36Å; F300-I321 HydrophobicContact CZ-CG2 3.94Å; F300-D322 HydrophobicContact CE1-CB 3.99Å; F300-D322 HydrophobicContact CZ-CB 4.28Å
301	R	77.8	Confident	86.9	Confident	195 Å²	195	45.9 Å²	45.9	74%	0.736	26%	0.259	S	S	*	.	S	Bend	trans	-67.9	-36.7	-170.8	178.7	-178.6	177.2	-174.4	-1.8	112.8	N259	N259-R301 HydrophobicContact CB-CB 4.21Å; N259-R301 VanDerWaalsContact OD1-CB 3.31Å; N259-R301 WeakPolarHBondContact OD1-CB 3.48Å; N259-R301 PolarHBondContact OD1-N 2.94Å
302	S	76.8	Confident	86.8	Confident	47 Å²	47	46.1 Å²	46.1	33%	0.329	26%	0.26	S	S	.	.	S	Bend	trans	-98.9	138.2	-175.7	-56.6	0	0	0	0	110.1	F300 L304	F300-S302 WeakPolarHBondContact CD1-O 3.21Å; F300-S302 PolarHBondContact O-N 2.74Å; S302-L304 PolarHBondContact O-N 3.39Å
303	T	75.9	Confident	86.5	Confident	115 Å²	115	51.5 Å²	51.5	71%	0.706	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-72.9	118.2	170	50.1	0	0	0	0	109.2	N305	T303-N305 PolarHBondContact O-N 3.43Å
304	L	84.5	Confident	86.1	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.084	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61	121.6	178.3	-62.3	-178.2	0	0	0	110.7	L297 F300 S302 F306 D322 V325 I329	L297-L304 HydrophobicContact CD1-CD1 3.54Å; L297-L304 HydrophobicContact CD1-CG 4.12Å; L297-L304 HydrophobicContact CD2-CD1 4.35Å; F300-L304 HydrophobicContact CD1-CD2 3.94Å; F300-L304 HydrophobicContact CD1-CG 4.4Å; F300-L304 HydrophobicContact CE1-CD2 3.56Å; F300-L304 HydrophobicContact CE1-CG 4.47Å; S302-L304 PolarHBondContact O-N 3.39Å; L304-F306 HydrophobicContact CB-CD2 4.23Å; L304-F306 HydrophobicContact CB-CE2 3.66Å; L304-F306 HydrophobicContact CB-CZ 4.24Å; L304-F306 HydrophobicContact CD1-CE2 4.08Å; L304-F306 HydrophobicContact CD1-CZ 3.98Å; L304-D322 HydrophobicContact CD2-CB 4.23Å; L304-V325 HydrophobicContact CD1-CG1 3.85Å; L304-V325 HydrophobicContact CD2-CB 4.11Å; L304-V325 HydrophobicContact CD2-CG1 4.12Å; L304-I329 HydrophobicContact CD1-CD1 4.1Å
305	N	83.2	Confident	85.7	Confident	65 Å²	65	57.1 Å²	57.1	35%	0.348	32%	0.321	S	S	.	.			trans	-99.5	95.4	178.7	-173.2	-12.9	0	0	0	111.3	T303 S307 D308 A309	T303-N305 PolarHBondContact O-N 3.43Å; N305-S307 PolarHBondContact O-N 2.87Å; N305-S307 PolarHBondContact OD1-N 3.02Å; N305-D308 WeakPolarHBondContact ND2-CB 3.35Å; N305-D308 PolarHBondContact ND2-OD2 2.92Å; N305-D308 PolarHBondContact OD1-N 2.95Å; N305-D308 VanDerWaalsContact OD1-N 3.09Å; N305-A309 VanDerWaalsContact O-CB 3.28Å; N305-A309 WeakPolarHBondContact O-CB 3.47Å; N305-A309 PolarHBondContact O-N 2.98Å
306	F	86.9	Confident	85.5	Confident	20 Å²	20	63.5 Å²	63.5	9%	0.088	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.3	177.7	-68.6	-87.6	0	0	0	114.8	L304 T326 I329 R330 L350 I351 P352 L355	L304-F306 HydrophobicContact CB-CD2 4.23Å; L304-F306 HydrophobicContact CB-CE2 3.66Å; L304-F306 HydrophobicContact CB-CZ 4.24Å; L304-F306 HydrophobicContact CD1-CE2 4.08Å; L304-F306 HydrophobicContact CD1-CZ 3.98Å; F306-T326 HydrophobicContact CD1-CG2 3.73Å; F306-T326 HydrophobicContact CE1-CG2 3.98Å; F306-T326 HydrophobicContact CG-CG2 4.23Å; F306-I329 HydrophobicContact CE1-CB 3.97Å; F306-I329 HydrophobicContact CE1-CG2 3.72Å; F306-I329 HydrophobicContact CZ-CB 4.33Å; F306-I329 HydrophobicContact CZ-CD1 4.02Å; F306-I329 HydrophobicContact CZ-CG2 4.05Å; F306-R330 HydrophobicContact CD1-CG 4.2Å; F306-R330 PolarHBondContact O-NH2 3.37Å; F306-L350 WeakPolarHBondContact CD2-O 3.21Å; F306-I351 HydrophobicContact CE2-CB 4.34Å; F306-I351 HydrophobicContact CE2-CG1 3.93Å; F306-I351 HydrophobicContact CZ-CB 4.42Å; F306-I351 HydrophobicContact CZ-CG1 3.99Å; F306-I351 HydrophobicContact CZ-CG2 4.19Å; F306-P352 HydrophobicContact CB-CG 3.75Å; F306-P352 HydrophobicContact CG-CG 4.11Å; F306-L355 HydrophobicContact CD1-CD1 3.77Å; F306-L355 HydrophobicContact CE1-CD1 4.15Å
307	S	83.1	Confident	85.5	Confident	102 Å²	102	68.7 Å²	68.7	71%	0.713	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-47.6	177.1	-53.1	0	0	0	0	111.3	N305	N305-S307 PolarHBondContact O-N 2.87Å; N305-S307 PolarHBondContact OD1-N 3.02Å
308	D	81.1	Confident	85.6	Confident	130 Å²	130	73 Å²	73	70%	0.695	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-12.1	-168.1	-54.7	-43.3	0	0	0	114.6	N305 A310	N305-D308 WeakPolarHBondContact ND2-CB 3.35Å; N305-D308 PolarHBondContact ND2-OD2 2.92Å; N305-D308 PolarHBondContact OD1-N 2.95Å; N305-D308 VanDerWaalsContact OD1-N 3.09Å; D308-A310 PolarHBondContact O-N 3.46Å
309	A	84.1	Confident	85.9	Confident	9 Å²	9	72.9 Å²	72.9	7%	0.074	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-59.1	131	-179.2	0	0	0	0	0	111.6	N305 D323 T326 R330	N305-A309 VanDerWaalsContact O-CB 3.28Å; N305-A309 WeakPolarHBondContact O-CB 3.47Å; N305-A309 PolarHBondContact O-N 2.98Å; A309-D323 WeakPolarHBondContact CB-OD1 3.39Å; A309-T326 HydrophobicContact CB-CG2 3.74Å; A309-R330 PolarHBondContact O-NH1 2.82Å; A309-R330 PolarHBondContact O-NH2 2.8Å
310	A	87.6	Confident	86.2	Confident	61 Å²	61	72 Å²	72	50%	0.504	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-69.5	135.9	178.7	0	0	0	0	0	110.8	D308 C312 N327	D308-A310 PolarHBondContact O-N 3.46Å; A310-C312 PolarHBondContact O-N 3.29Å; A310-N327 PolarHBondContact O-ND2 2.9Å; A310-N327 PolarHBondContact O-OD1 2.67Å
311	P	88.9	Confident	86.4	Confident	93 Å²	93	71.6 Å²	71.6	60%	0.604	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-64.1	129.2	177.5	25.7	-32.1	0	0	0	110.6	N327	P311-N327 WeakPolarHBondContact CA-OD1 3.26Å
312	C	90.3	Very high	87.1	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.034	36%	0.364	C	S	.	.			trans	-126.6	120.7	176.3	-173.2	0	0	0	0	109.5	A310 V319 N327 N332	A310-C312 PolarHBondContact O-N 3.29Å; C312-V319 HydrophobicContact CB-CG1 4.19Å; C312-N327 HydrophobicContact CB-CB 4.44Å; C312-N327 PolarHBondContact N-OD1 3.07Å; C312-N332 CarbonylContact O-C 3.58Å
313	N	89.6	Confident	87.8	Confident	116 Å²	116	64 Å²	64	62%	0.62	36%	0.358	S	S	*	.			trans	-112.5	-9.5	-179.1	-54.9	-6	0	0	0	112.4	P315 N332	N313-P315 WeakPolarHBondContact O-CD 3.48Å; N313-N332 WeakPolarHBondContact CA-O 3.37Å; N313-N332 PolarHBondContact OD1-O 2.85Å
314	D	88.6	Confident	88.6	Confident	79 Å²	79	58.6 Å²	58.6	42%	0.422	33%	0.325	S	S	.	.			trans	-94.1	113	-177.7	178.3	5.5	0	0	0	110.4	K316 K317	D314-K316 PolarHBondContact O-N 3.05Å; D314-K316 VanDerWaalsContact O-N 3.16Å; D314-K316 WeakPolarHBondContact OD1-CB 3.25Å; D314-K316 PolarHBondContact OD1-N 2.63Å; D314-K317 HydrophobicContact CB-CB 3.95Å; D314-K317 PolarHBondContact O-N 2.75Å; D314-K317 VanDerWaalsContact O-N 3.17Å
315	P	86.6	Confident	89	Confident	40 Å²	40	57.9 Å²	57.9	26%	0.26	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14	179.7	27.8	-34.5	0	0	0	114.1	S265 A266 E267 L284 N313 L333	S265-P315 WeakPolarHBondContact CB-O 3.44Å; A266-P315 HydrophobicContact CB-CB 4.27Å; A266-P315 PolarHBondContact N-O 3.43Å; E267-P315 PolarHBondContact N-O 2.84Å; L284-P315 HydrophobicContact CD1-CB 4.35Å; N313-P315 WeakPolarHBondContact O-CD 3.48Å; P315-L333 HydrophobicContact CB-CD1 4.45Å
316	K	88.9	Confident	89.5	Confident	144 Å²	144	54.8 Å²	54.8	63%	0.626	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-19.7	176.8	-70.9	171.8	-178.2	177.2	0	113.4	S265 E267 D314 E318	S265-K316 VanDerWaalsContact CB-C 3.47Å; S265-K316 VanDerWaalsContact CB-O 3.23Å; S265-K316 WeakPolarHBondContact CB-O 3.45Å; E267-K316 WeakPolarHBondContact OE2-CE 3.26Å; E267-K316 WeakPolarHBondContact OE2-CG 3.3Å; D314-K316 PolarHBondContact O-N 3.05Å; D314-K316 VanDerWaalsContact O-N 3.16Å; D314-K316 WeakPolarHBondContact OD1-CB 3.25Å; D314-K316 PolarHBondContact OD1-N 2.63Å; K316-E318 PolarHBondContact O-N 3.16Å
317	K	91.9	Very high	89.8	Confident	113 Å²	113	53.9 Å²	53.9	49%	0.491	30%	0.301	S	S	.	.	S	Bend	trans	-71.8	128.2	-177.8	-175.6	176.7	176.7	-174.2	0	111	S265 D314 V319	S265-K317 WeakPolarHBondContact CA-O 3.48Å; S265-K317 VanDerWaalsContact CB-O 3.22Å; S265-K317 WeakPolarHBondContact CB-O 3.44Å; D314-K317 HydrophobicContact CB-CB 3.95Å; D314-K317 PolarHBondContact O-N 2.75Å; D314-K317 VanDerWaalsContact O-N 3.17Å; K317-V319 HydrophobicContact CG-CG1 4.36Å
318	E	92.8	Very high	90.3	Very high	96 Å²	96	49.1 Å²	49.1	45%	0.449	27%	0.268	S	S	.	.			trans	-78.1	123.6	173.2	-66.7	-172.5	166.2	0	0	110.3	R268 K316	R268-E318 IonicContact CZ-OE1 3.48Å; R268-E318 IonicContact NH1-OE1 3.28Å; R268-E318 PolarHBondContact NH1-OE1 3.42Å; K316-E318 PolarHBondContact O-N 3.16Å
319	V	93	Very high	90.9	Very high	19 Å²	19	43 Å²	43	12%	0.115	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	168.9	174.7	-65.7	0	0	0	0	108.8	K263 L264 C312 K317 D323 L324	K263-V319 CarbonylContact C-O 3.59Å; K263-V319 WeakPolarHBondContact CA-O 3.49Å; L264-V319 PolarHBondContact N-O 3.24Å; L264-V319 PolarHBondContact O-N 3.08Å; C312-V319 HydrophobicContact CB-CG1 4.19Å; K317-V319 HydrophobicContact CG-CG1 4.36Å; V319-D323 HydrophobicContact CB-CB 4.26Å; V319-D323 HydrophobicContact CG2-CB 4.41Å; V319-L324 HydrophobicContact CG2-CB 3.81Å; V319-L324 HydrophobicContact CG2-CD1 3.9Å; V319-L324 HydrophobicContact CG2-CG 4.47Å
320	S	92.8	Very high	91.4	Very high	29 Å²	29	45.2 Å²	45.2	20%	0.203	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	152.1	172.8	65	0	0	0	0	110.4	E262 D322 D323 L324	E262-S320 WeakPolarHBondContact O-CA 3.47Å; S320-D322 VanDerWaalsContact C-N 3.25Å; S320-D322 WeakPolarHBondContact CB-OD1 3.28Å; S320-D322 PolarHBondContact O-N 2.88Å; S320-D322 PolarHBondContact OG-OD1 3.2Å; S320-D323 PolarHBondContact O-N 3.34Å; S320-D323 VanDerWaalsContact O-N 3.14Å; S320-D323 WeakPolarHBondContact OG-CB 3.21Å; S320-D323 PolarHBondContact OG-OD2 3.31Å; S320-L324 PolarHBondContact O-N 3.3Å
321	I	90.8	Very high	91.5	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.046	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-32.3	-172.7	-166.6	62.6	0	0	0	113	L258 L261 E262 F300 L324 V325	L258-I321 HydrophobicContact CB-CD1 4.24Å; L258-I321 HydrophobicContact CB-CG1 3.93Å; L258-I321 HydrophobicContact CD1-CD1 4.25Å; L258-I321 HydrophobicContact CD1-CG1 4.49Å; L261-I321 VanDerWaalsContact O-CG2 3.3Å; L261-I321 WeakPolarHBondContact O-CG2 3.47Å; E262-I321 PolarHBondContact O-N 3.41Å; F300-I321 HydrophobicContact CE2-CG1 4.31Å; F300-I321 HydrophobicContact CE2-CG2 4.31Å; F300-I321 HydrophobicContact CZ-CG1 4.36Å; F300-I321 HydrophobicContact CZ-CG2 3.94Å; I321-L324 HydrophobicContact CD1-CD2 4.01Å; I321-L324 WeakPolarHBondContact O-CB 3.33Å; I321-L324 PolarHBondContact O-N 3.18Å; I321-V325 WeakPolarHBondContact O-CG2 3.37Å; I321-V325 PolarHBondContact O-N 3.36Å; I321-V325 VanDerWaalsContact O-N 3.14Å
322	D	90.9	Very high	91.7	Very high	42 Å²	42	41.2 Å²	41.2	23%	0.225	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-42.3	173.4	56.4	-41.3	0	0	0	112.4	F300 L304 S320 L324 T326	F300-D322 HydrophobicContact CE1-CB 3.99Å; F300-D322 HydrophobicContact CZ-CB 4.28Å; L304-D322 HydrophobicContact CD2-CB 4.23Å; S320-D322 VanDerWaalsContact C-N 3.25Å; S320-D322 WeakPolarHBondContact CB-OD1 3.28Å; S320-D322 PolarHBondContact O-N 2.88Å; S320-D322 PolarHBondContact OG-OD1 3.2Å; D322-L324 VanDerWaalsContact C-N 3.32Å; D322-T326 VanDerWaalsContact O-CB 3.27Å; D322-T326 WeakPolarHBondContact O-CB 3.47Å; D322-T326 PolarHBondContact O-N 2.94Å; D322-T326 PolarHBondContact O-OG1 3.36Å
323	D	92	Very high	91.7	Very high	41 Å²	41	41.1 Å²	41.1	22%	0.219	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-34.7	173.2	-82	-14.2	0	0	0	111.6	A309 V319 S320 T326 N327	A309-D323 WeakPolarHBondContact CB-OD1 3.39Å; V319-D323 HydrophobicContact CB-CB 4.26Å; V319-D323 HydrophobicContact CG2-CB 4.41Å; S320-D323 PolarHBondContact O-N 3.34Å; S320-D323 VanDerWaalsContact O-N 3.14Å; S320-D323 WeakPolarHBondContact OG-CB 3.21Å; S320-D323 PolarHBondContact OG-OD2 3.31Å; D323-T326 PolarHBondContact O-N 2.92Å; D323-N327 WeakPolarHBondContact O-CB 3.36Å; D323-N327 PolarHBondContact O-N 3.09Å; D323-N327 PolarHBondContact O-ND2 3Å
324	L	92.7	Very high	91.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-54.7	176.8	-172.6	66.7	0	0	0	110.7	A266 L269 V319 S320 I321 D322 T326 N327 I328 L333	A266-L324 HydrophobicContact CB-CD1 4.19Å; L269-L324 HydrophobicContact CD2-CD2 4.11Å; V319-L324 HydrophobicContact CG2-CB 3.81Å; V319-L324 HydrophobicContact CG2-CD1 3.9Å; V319-L324 HydrophobicContact CG2-CG 4.47Å; S320-L324 PolarHBondContact O-N 3.3Å; I321-L324 HydrophobicContact CD1-CD2 4.01Å; I321-L324 WeakPolarHBondContact O-CB 3.33Å; I321-L324 PolarHBondContact O-N 3.18Å; D322-L324 VanDerWaalsContact C-N 3.32Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 3.26Å; L324-N327 PolarHBondContact O-N 3.4Å; L324-I328 HydrophobicContact CG-CD1 4.17Å; L324-I328 VanDerWaalsContact O-CG1 3.31Å; L324-I328 WeakPolarHBondContact O-CG1 3.07Å; L324-I328 PolarHBondContact O-N 2.93Å; L324-L333 HydrophobicContact CD1-CD2 3.48Å; L324-L333 VanDerWaalsContact CD1-CD2 3.48Å
325	V	92.9	Very high	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-41.7	178.8	176	0	0	0	0	110.7	L255 L258 F294 L304 I321 N327 I328 I329	L255-V325 HydrophobicContact CD2-CG1 4.5Å; L255-V325 HydrophobicContact CD2-CG2 4.1Å; L258-V325 HydrophobicContact CD1-CG2 4.47Å; F294-V325 HydrophobicContact CD2-CG1 4.34Å; F294-V325 HydrophobicContact CE1-CG2 4.34Å; F294-V325 HydrophobicContact CE2-CG1 4.05Å; F294-V325 HydrophobicContact CZ-CG1 4.31Å; F294-V325 HydrophobicContact CZ-CG2 4.18Å; L304-V325 HydrophobicContact CD1-CG1 3.85Å; L304-V325 HydrophobicContact CD2-CB 4.11Å; L304-V325 HydrophobicContact CD2-CG1 4.12Å; I321-V325 WeakPolarHBondContact O-CG2 3.37Å; I321-V325 PolarHBondContact O-N 3.36Å; I321-V325 VanDerWaalsContact O-N 3.14Å; V325-N327 PolarHBondContact O-N 3.16Å; V325-I328 PolarHBondContact O-N 3.3Å; V325-I329 HydrophobicContact CG1-CD1 3.92Å; V325-I329 WeakPolarHBondContact O-CG1 3.45Å; V325-I329 PolarHBondContact O-N 3.41Å
326	T	93.4	Very high	91.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-45.8	178	-60.2	0	0	0	0	112	F306 A309 D322 D323 L324 I329 R330	F306-T326 HydrophobicContact CD1-CG2 3.73Å; F306-T326 HydrophobicContact CE1-CG2 3.98Å; F306-T326 HydrophobicContact CG-CG2 4.23Å; A309-T326 HydrophobicContact CB-CG2 3.74Å; D322-T326 VanDerWaalsContact O-CB 3.27Å; D322-T326 WeakPolarHBondContact O-CB 3.47Å; D322-T326 PolarHBondContact O-N 2.94Å; D322-T326 PolarHBondContact O-OG1 3.36Å; D323-T326 PolarHBondContact O-N 2.92Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 3.26Å; T326-I329 PolarHBondContact O-N 3.09Å; T326-R330 WeakPolarHBondContact O-CB 3.44Å; T326-R330 WeakPolarHBondContact O-CG 3.38Å; T326-R330 PolarHBondContact O-N 3.25Å
327	N	93.9	Very high	91.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70	-31.7	179.9	-81.9	-70.8	0	0	0	113.1	A310 P311 C312 D323 L324 V325 G331 N332 L333	A310-N327 PolarHBondContact O-ND2 2.9Å; A310-N327 PolarHBondContact O-OD1 2.67Å; P311-N327 WeakPolarHBondContact CA-OD1 3.26Å; C312-N327 HydrophobicContact CB-CB 4.44Å; C312-N327 PolarHBondContact N-OD1 3.07Å; D323-N327 WeakPolarHBondContact O-CB 3.36Å; D323-N327 PolarHBondContact O-N 3.09Å; D323-N327 PolarHBondContact O-ND2 3Å; L324-N327 PolarHBondContact O-N 3.4Å; V325-N327 PolarHBondContact O-N 3.16Å; N327-G331 PolarHBondContact O-N 3.32Å; N327-G331 VanDerWaalsContact O-N 3.16Å; N327-N332 HydrophobicContact CB-CB 4.27Å; N327-N332 PolarHBondContact O-N 2.8Å; N327-N332 VanDerWaalsContact O-N 3.07Å; N327-N332 WeakPolarHBondContact OD1-CB 3.24Å; N327-N332 PolarHBondContact OD1-ND2 2.79Å; N327-L333 HydrophobicContact CB-CB 4.14Å; N327-L333 PolarHBondContact O-N 3.02Å; N327-L333 VanDerWaalsContact O-N 3.12Å
328	I	94.1	Very high	91.7	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-65.2	-47.1	171.6	-68.1	166.5	0	0	0	110.4	R215 L292 F294 L324 V325 R330 G331 L333 V339	R215-I328 PolarHBondContact NH1-O 3.2Å; R215-I328 PolarHBondContact NH2-O 3.16Å; L292-I328 HydrophobicContact CD1-CG2 4.39Å; F294-I328 HydrophobicContact CE2-CB 4.29Å; F294-I328 HydrophobicContact CE2-CG2 3.83Å; F294-I328 HydrophobicContact CZ-CD1 3.97Å; F294-I328 HydrophobicContact CZ-CG2 4.23Å; L324-I328 HydrophobicContact CG-CD1 4.17Å; L324-I328 VanDerWaalsContact O-CG1 3.31Å; L324-I328 WeakPolarHBondContact O-CG1 3.07Å; L324-I328 PolarHBondContact O-N 2.93Å; V325-I328 PolarHBondContact O-N 3.3Å; I328-R330 PolarHBondContact O-N 3.11Å; I328-G331 PolarHBondContact O-N 2.92Å; I328-G331 VanDerWaalsContact O-N 3.16Å; I328-L333 WeakPolarHBondContact CA-O 3.39Å; I328-L333 HydrophobicContact CD1-CD2 4.5Å; I328-L333 HydrophobicContact CG1-CB 4.12Å; I328-L333 HydrophobicContact CG1-CD2 3.99Å; I328-L333 HydrophobicContact CG1-CG 4.39Å; I328-V339 HydrophobicContact CG2-CG2 3.99Å
329	I	94	Very high	91.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-64.5	-43.2	179.1	-67	169.7	0	0	0	110.8	R215 L304 F306 V325 T326 G331 V341 I351	R215-I329 PolarHBondContact NH1-O 3.16Å; L304-I329 HydrophobicContact CD1-CD1 4.1Å; F306-I329 HydrophobicContact CE1-CB 3.97Å; F306-I329 HydrophobicContact CE1-CG2 3.72Å; F306-I329 HydrophobicContact CZ-CB 4.33Å; F306-I329 HydrophobicContact CZ-CD1 4.02Å; F306-I329 HydrophobicContact CZ-CG2 4.05Å; V325-I329 HydrophobicContact CG1-CD1 3.92Å; V325-I329 WeakPolarHBondContact O-CG1 3.45Å; V325-I329 PolarHBondContact O-N 3.41Å; T326-I329 PolarHBondContact O-N 3.09Å; I329-G331 PolarHBondContact O-N 2.89Å; I329-V341 HydrophobicContact CD1-CG2 4.33Å; I329-V341 HydrophobicContact CG1-CG2 4.45Å; I329-I351 HydrophobicContact CG2-CG2 4.2Å
330	R	93	Very high	92	Very high	55 Å²	55	22.2 Å²	22.2	21%	0.208	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-23.5	175.4	-77.8	178.1	174.5	171.7	-6.1	113.8	F306 A309 T326 I328 N332 L355	F306-R330 HydrophobicContact CD1-CG 4.2Å; F306-R330 PolarHBondContact O-NH2 3.37Å; A309-R330 PolarHBondContact O-NH1 2.82Å; A309-R330 PolarHBondContact O-NH2 2.8Å; T326-R330 WeakPolarHBondContact O-CB 3.44Å; T326-R330 WeakPolarHBondContact O-CG 3.38Å; T326-R330 PolarHBondContact O-N 3.25Å; I328-R330 PolarHBondContact O-N 3.11Å; R330-N332 VanDerWaalsContact C-N 3.33Å; R330-L355 HydrophobicContact CG-CD1 3.94Å
331	G	91.6	Very high	92.2	Very high	18 Å²	18	20.9 Å²	20.9	19%	0.186	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	12	-172.9	0	0	0	0	0	114.6	R215 N327 I328 I329 L333	R215-G331 VanDerWaalsContact CZ-CA 3.47Å; R215-G331 VanDerWaalsContact NH2-CA 3.32Å; N327-G331 PolarHBondContact O-N 3.32Å; N327-G331 VanDerWaalsContact O-N 3.16Å; I328-G331 PolarHBondContact O-N 2.92Å; I328-G331 VanDerWaalsContact O-N 3.16Å; I329-G331 PolarHBondContact O-N 2.89Å; G331-L333 VanDerWaalsContact C-N 3.31Å
332	N	91.6	Very high	92.5	Very high	53 Å²	53	20.4 Å²	20.4	28%	0.283	11%	0.114	S	C	.	.	S	Bend	trans	-67.9	-39	168.2	-66.7	-19.5	0	0	0	110.4	C312 N313 N327 R330	C312-N332 CarbonylContact O-C 3.58Å; N313-N332 WeakPolarHBondContact CA-O 3.37Å; N313-N332 PolarHBondContact OD1-O 2.85Å; N327-N332 HydrophobicContact CB-CB 4.27Å; N327-N332 PolarHBondContact O-N 2.8Å; N327-N332 VanDerWaalsContact O-N 3.07Å; N327-N332 WeakPolarHBondContact OD1-CB 3.24Å; N327-N332 PolarHBondContact OD1-ND2 2.79Å; R330-N332 VanDerWaalsContact C-N 3.33Å
333	L	90.4	Very high	92.6	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	10%	0.104	C	C	.	.	S	Bend	trans	-110.3	132.3	176.3	-158.7	67.4	0	0	0	109.2	A266 P315 L324 N327 I328 G331	A266-L333 HydrophobicContact CB-CD2 3.76Å; A266-L333 HydrophobicContact CB-CG 4.44Å; P315-L333 HydrophobicContact CB-CD1 4.45Å; L324-L333 HydrophobicContact CD1-CD2 3.48Å; L324-L333 VanDerWaalsContact CD1-CD2 3.48Å; N327-L333 HydrophobicContact CB-CB 4.14Å; N327-L333 PolarHBondContact O-N 3.02Å; N327-L333 VanDerWaalsContact O-N 3.12Å; I328-L333 WeakPolarHBondContact CA-O 3.39Å; I328-L333 HydrophobicContact CD1-CD2 4.5Å; I328-L333 HydrophobicContact CG1-CB 4.12Å; I328-L333 HydrophobicContact CG1-CD2 3.99Å; I328-L333 HydrophobicContact CG1-CG 4.39Å; G331-L333 VanDerWaalsContact C-N 3.31Å
334	L	88.5	Confident	92.6	Very high	21 Å²	21	18 Å²	18	11%	0.11	10%	0.099	C	C	.	.	S	Bend	trans	55.2	61	-176.9	-45.2	-174.2	0	0	0	112.4	R215 L284 L292 D336 V337	R215-L334 PolarHBondContact NH2-O 3.17Å; L284-L334 HydrophobicContact CD1-CD2 3.91Å; L284-L334 HydrophobicContact CD2-CD1 3.8Å; L284-L334 HydrophobicContact CD2-CD2 3.48Å; L284-L334 VanDerWaalsContact CD2-CD2 3.48Å; L284-L334 HydrophobicContact CD2-CG 4.22Å; L284-L334 HydrophobicContact CG-CD2 4.19Å; L292-L334 HydrophobicContact CD1-CD1 4.41Å; L334-D336 VanDerWaalsContact C-N 3.32Å; L334-D336 PolarHBondContact O-N 3.26Å; L334-V337 HydrophobicContact CB-CB 3.98Å; L334-V337 HydrophobicContact CB-CG2 3.84Å; L334-V337 HydrophobicContact CD1-CG2 4.49Å; L334-V337 PolarHBondContact O-N 3.13Å
335	P	88.1	Confident	92.5	Very high	67 Å²	67	18.1 Å²	18.1	44%	0.435	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-38.4	-177.2	20.4	-28.6	0	0	0	113	R215 V337	R215-P335 WeakPolarHBondContact CD-O 3.45Å; R215-P335 PolarHBondContact NE-O 3.15Å; P335-V337 VanDerWaalsContact C-N 3.32Å; P335-V337 PolarHBondContact O-N 3.19Å
336	D	86.1	Confident	92.1	Very high	96 Å²	96	19.5 Å²	19.5	51%	0.513	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.4	-174.9	-54.2	-70.7	0	0	0	114.1	L334	L334-D336 VanDerWaalsContact C-N 3.32Å; L334-D336 PolarHBondContact O-N 3.26Å
337	V	89.3	Confident	91.9	Very high	10 Å²	10	21.1 Å²	21.1	6%	0.061	12%	0.124	C	C	.	.	S	Bend	trans	-86	130.6	178.9	175.7	0	0	0	0	110.5	T290 L292 L334 P335	T290-V337 HydrophobicContact CG2-CG1 4.2Å; T290-V337 HydrophobicContact CG2-CG2 4.49Å; L292-V337 HydrophobicContact CB-CG1 3.77Å; L334-V337 HydrophobicContact CB-CB 3.98Å; L334-V337 HydrophobicContact CB-CG2 3.84Å; L334-V337 HydrophobicContact CD1-CG2 4.49Å; L334-V337 PolarHBondContact O-N 3.13Å; P335-V337 VanDerWaalsContact C-N 3.32Å; P335-V337 PolarHBondContact O-N 3.19Å
338	S	93.1	Very high	91.7	Very high	13 Å²	13	21.2 Å²	21.2	9%	0.091	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.1	170.1	-61.3	0	0	0	0	109.8	R215 T290 L291 L292	R215-S338 CarbonylContact O-C 3.53Å; R215-S338 WeakPolarHBondContact O-CA 3.29Å; T290-S338 PolarHBondContact O-N 3.47Å; L291-S338 CarbonylContact C-O 3.57Å; L291-S338 WeakPolarHBondContact CA-O 3.48Å; L292-S338 PolarHBondContact N-O 3.18Å
339	V	96.3	Very high	91.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.1	-177.3	-174.2	0	0	0	0	109.7	R215 V216 T217 L292 F294 I328 V341	R215-V339 PolarHBondContact O-N 2.82Å; V216-V339 WeakPolarHBondContact CA-O 3.44Å; T217-V339 PolarHBondContact N-O 2.75Å; L292-V339 HydrophobicContact CD2-CG1 4.36Å; L292-V339 CarbonylContact O-C 3.56Å; L292-V339 WeakPolarHBondContact O-CA 3.47Å; F294-V339 HydrophobicContact CD2-CG1 3.92Å; F294-V339 HydrophobicContact CE2-CG1 4.29Å; I328-V339 HydrophobicContact CG2-CG2 3.99Å; V339-V341 HydrophobicContact CG1-CG2 3.83Å
340	W	97.3	Very high	91.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116	171.1	-176.7	21.8	0	0	0	110.3	L200 L203 F204 T217 T219 V231 F234 L291 L292 I293 F294 T342	L200-W340 HydrophobicContact CD1-CH2 4.31Å; L203-W340 HydrophobicContact CD2-CD2 4.14Å; L203-W340 HydrophobicContact CD2-CH2 4.4Å; L203-W340 HydrophobicContact CD2-CZ2 3.88Å; F204-W340 HydrophobicContact CE1-CB 3.95Å; F204-W340 HydrophobicContact CE1-CG 4.19Å; F204-W340 HydrophobicContact CZ-CB 3.99Å; F204-W340 AromaticContact CZ-CD2 3.95Å; F204-W340 HydrophobicContact CZ-CD2 3.95Å; F204-W340 AromaticContact CZ-CE3 3.92Å; F204-W340 HydrophobicContact CZ-CE3 3.92Å; F204-W340 AromaticContact CZ-CG 3.99Å; F204-W340 HydrophobicContact CZ-CG 3.99Å; T217-W340 CarbonylContact O-C 3.51Å; T217-W340 WeakPolarHBondContact O-CA 3.35Å; T219-W340 PolarHBondContact OG1-NE1 2.76Å; V231-W340 HydrophobicContact CB-CH2 4.39Å; V231-W340 HydrophobicContact CB-CZ3 4.42Å; V231-W340 HydrophobicContact CG2-CE3 4.45Å; V231-W340 HydrophobicContact CG2-CH2 3.76Å; V231-W340 HydrophobicContact CG2-CZ2 4.09Å; V231-W340 HydrophobicContact CG2-CZ3 3.96Å; F234-W340 HydrophobicContact CB-CH2 4.15Å; F234-W340 HydrophobicContact CB-CZ3 3.85Å; F234-W340 HydrophobicContact CD1-CE3 4.44Å; F234-W340 AromaticContact CD1-CZ3 3.85Å; F234-W340 HydrophobicContact CD1-CZ3 3.85Å; F234-W340 HydrophobicContact CG-CH2 4.48Å; F234-W340 AromaticContact CG-CZ3 3.82Å; F234-W340 HydrophobicContact CG-CZ3 3.82Å; L291-W340 HydrophobicContact CD1-CB 4.05Å; L292-W340 PolarHBondContact O-N 2.69Å; I293-W340 CarbonylContact C-O 3.58Å; I293-W340 WeakPolarHBondContact CA-O 3.32Å; I293-W340 HydrophobicContact CD1-CE3 3.73Å; I293-W340 HydrophobicContact CD1-CZ3 4.08Å; I293-W340 HydrophobicContact CG1-CB 4.37Å; I293-W340 HydrophobicContact CG1-CE3 3.93Å; I293-W340 HydrophobicContact CG2-CB 4.46Å; I293-W340 HydrophobicContact CG2-CD2 4.29Å; I293-W340 HydrophobicContact CG2-CE3 3.95Å; F294-W340 PolarHBondContact N-O 2.84Å; W340-T342 HydrophobicContact CZ2-CG2 4.45Å
341	V	96.9	Very high	91	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.1	179.1	-172.8	0	0	0	0	109.7	T217 L218 T219 F294 L297 I329 V339 I351	T217-V341 PolarHBondContact O-N 2.83Å; L218-V341 WeakPolarHBondContact CA-O 3.39Å; L218-V341 HydrophobicContact CD1-CB 4.05Å; L218-V341 HydrophobicContact CD1-CG1 4.13Å; T219-V341 PolarHBondContact N-O 2.68Å; F294-V341 HydrophobicContact CB-CG1 4.48Å; F294-V341 HydrophobicContact CB-CG2 4.37Å; F294-V341 HydrophobicContact CD2-CG2 4.4Å; F294-V341 WeakPolarHBondContact O-CA 3.49Å; L297-V341 HydrophobicContact CB-CG1 4.15Å; L297-V341 HydrophobicContact CD2-CG1 4.11Å; I329-V341 HydrophobicContact CD1-CG2 4.33Å; I329-V341 HydrophobicContact CG1-CG2 4.45Å; V339-V341 HydrophobicContact CG1-CG2 3.83Å; V341-I351 HydrophobicContact CG1-CD1 4.45Å
342	T	96.6	Very high	91	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.4	168.4	81.4	0	0	0	0	110.7	T219 V231 F294 D295 G296 L297 W340	T219-T342 VanDerWaalsContact O-CA 3.32Å; T219-T342 WeakPolarHBondContact O-CA 3.48Å; V231-T342 HydrophobicContact CG2-CG2 3.57Å; F294-T342 PolarHBondContact O-N 3.49Å; D295-T342 WeakPolarHBondContact CA-OG1 3.3Å; D295-T342 PolarHBondContact OD1-OG1 3.35Å; G296-T342 PolarHBondContact N-O 2.93Å; G296-T342 PolarHBondContact N-OG1 3.15Å; L297-T342 PolarHBondContact N-O 3.06Å; W340-T342 HydrophobicContact CZ2-CG2 4.45Å
343	S	93.9	Very high	90.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	160.6	-178.9	-167.2	0	0	0	0	113.2	T219 V220 G221 K227 D298 A348	T219-S343 PolarHBondContact O-N 3.25Å; T219-S343 VanDerWaalsContact O-N 3.13Å; V220-S343 VanDerWaalsContact CA-O 3.29Å; V220-S343 WeakPolarHBondContact CA-O 3Å; G221-S343 PolarHBondContact N-O 3.45Å; G221-S343 VanDerWaalsContact N-O 3.17Å; K227-S343 WeakPolarHBondContact CD-O 3.42Å; D298-S343 WeakPolarHBondContact OD1-CA 3.5Å; S343-A348 PolarHBondContact OG-N 3.17Å
344	R	91.6	Very high	90.5	Very high	33 Å²	33	31.4 Å²	31.4	13%	0.125	22%	0.219	C	C	.	.			trans	-69.3	146	162.1	-70.6	-173.4	-42.9	151.2	4.2	111	D180 G221 D298 G346 V347 A348	D180-R344 WeakPolarHBondContact OD2-CD 3.4Å; D180-R344 IonicContact OD2-NH1 2.82Å; D180-R344 PolarHBondContact OD2-NH1 2.84Å; G221-R344 WeakPolarHBondContact O-CA 3.44Å; D298-R344 HydrophobicContact CB-CB 4.05Å; D298-R344 HydrophobicContact CB-CG 4.09Å; D298-R344 PolarHBondContact OD1-N 2.78Å; D298-R344 VanDerWaalsContact OD1-N 3.15Å; D298-R344 WeakPolarHBondContact OD2-CD 3.3Å; D298-R344 VanDerWaalsContact OD2-CG 3.3Å; D298-R344 WeakPolarHBondContact OD2-CG 3.41Å; D298-R344 IonicContact OD2-NE 3.66Å; R344-G346 VanDerWaalsContact C-N 3.3Å; R344-G346 PolarHBondContact O-N 3.18Å; R344-G346 VanDerWaalsContact O-N 3.17Å; R344-V347 PolarHBondContact O-N 3.37Å; R344-V347 VanDerWaalsContact O-N 3.15Å; R344-A348 VanDerWaalsContact O-CB 3.29Å; R344-A348 WeakPolarHBondContact O-CB 3.49Å; R344-A348 PolarHBondContact O-N 2.96Å
345	P	89.7	Confident	90.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-52.2	-40.8	-177.5	-29.9	36.7	0	0	0	115.3	L171 Q175 V220 V347 A348 S349	L171-P345 WeakPolarHBondContact CD1-O 3.48Å; Q175-P345 HydrophobicContact CB-CB 3.97Å; Q175-P345 VanDerWaalsContact O-CB 3.28Å; Q175-P345 WeakPolarHBondContact O-CB 3.42Å; V220-P345 HydrophobicContact CB-CG 4.24Å; P345-V347 PolarHBondContact O-N 2.75Å; P345-A348 PolarHBondContact O-N 3.19Å; P345-S349 PolarHBondContact O-N 3.17Å
346	G	85.2	Confident	90.9	Very high	30 Å²	30	30.5 Å²	30.5	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-58.5	-47.1	178.6	0	0	0	0	0	113.2	R344 S349	R344-G346 VanDerWaalsContact C-N 3.3Å; R344-G346 PolarHBondContact O-N 3.18Å; R344-G346 VanDerWaalsContact O-N 3.17Å; G346-S349 PolarHBondContact O-OG 2.95Å
347	V	87.9	Confident	91.2	Very high	36 Å²	36	30.6 Å²	30.6	22%	0.218	21%	0.212	C	C	.	.	H	α-helix	trans	-76.9	-37.7	179.6	-178	0	0	0	0	111.4	L297 D298 R344 P345 S349 L350	L297-V347 HydrophobicContact CD2-CG1 4.29Å; L297-V347 HydrophobicContact CG-CG1 3.95Å; D298-V347 HydrophobicContact CB-CB 4.17Å; D298-V347 HydrophobicContact CB-CG2 3.85Å; R344-V347 PolarHBondContact O-N 3.37Å; R344-V347 VanDerWaalsContact O-N 3.15Å; P345-V347 PolarHBondContact O-N 2.75Å; V347-S349 PolarHBondContact O-N 3.33Å; V347-L350 HydrophobicContact CG1-CD1 4.46Å; V347-L350 WeakPolarHBondContact O-CB 3.37Å; V347-L350 WeakPolarHBondContact O-CG 3.42Å; V347-L350 PolarHBondContact O-N 3.01Å; V347-L350 VanDerWaalsContact O-N 3.09Å
348	A	90.9	Very high	91.4	Very high	1 Å²	1	31 Å²	31	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-32.6	175.4	0	0	0	0	0	113	L171 L218 V220 S343 R344 P345 L350 I351	L171-A348 HydrophobicContact CD1-CB 3.71Å; L218-A348 HydrophobicContact CD1-CB 4.24Å; L218-A348 HydrophobicContact CD2-CB 4.16Å; V220-A348 HydrophobicContact CG1-CB 3.58Å; S343-A348 PolarHBondContact OG-N 3.17Å; R344-A348 VanDerWaalsContact O-CB 3.29Å; R344-A348 WeakPolarHBondContact O-CB 3.49Å; R344-A348 PolarHBondContact O-N 2.96Å; P345-A348 PolarHBondContact O-N 3.19Å; A348-L350 PolarHBondContact O-N 3.41Å; A348-I351 PolarHBondContact O-N 3.24Å; A348-I351 VanDerWaalsContact O-N 3.13Å
349	S	88.2	Confident	91.4	Very high	43 Å²	43	31.3 Å²	31.3	30%	0.301	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17	179.3	79.1	0	0	0	0	114.6	P345 G346 V347 I351	P345-S349 PolarHBondContact O-N 3.17Å; G346-S349 PolarHBondContact O-OG 2.95Å; V347-S349 PolarHBondContact O-N 3.33Å; S349-I351 PolarHBondContact O-N 2.95Å
350	L	87.8	Confident	91.2	Very high	90 Å²	90	31.3 Å²	31.3	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-18.5	175.3	-58.9	176.4	0	0	0	112.1	F306 V347 A348 P352	F306-L350 WeakPolarHBondContact CD2-O 3.21Å; V347-L350 HydrophobicContact CG1-CD1 4.46Å; V347-L350 WeakPolarHBondContact O-CB 3.37Å; V347-L350 WeakPolarHBondContact O-CG 3.42Å; V347-L350 PolarHBondContact O-N 3.01Å; V347-L350 VanDerWaalsContact O-N 3.09Å; A348-L350 PolarHBondContact O-N 3.41Å; L350-P352 WeakPolarHBondContact O-CD 3.36Å
351	I	90.9	Very high	91	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.051	22%	0.218	C	C	.	.	S	Bend	trans	-78.1	121.2	174.3	-53.1	177.7	0	0	0	108.3	L218 L297 F306 I329 V341 A348 S349 G353 V356	L218-I351 HydrophobicContact CD1-CD1 4.21Å; L297-I351 HydrophobicContact CD2-CD1 3.85Å; L297-I351 HydrophobicContact CD2-CG1 4.29Å; F306-I351 HydrophobicContact CE2-CB 4.34Å; F306-I351 HydrophobicContact CE2-CG1 3.93Å; F306-I351 HydrophobicContact CZ-CB 4.42Å; F306-I351 HydrophobicContact CZ-CG1 3.99Å; F306-I351 HydrophobicContact CZ-CG2 4.19Å; I329-I351 HydrophobicContact CG2-CG2 4.2Å; V341-I351 HydrophobicContact CG1-CD1 4.45Å; A348-I351 PolarHBondContact O-N 3.24Å; A348-I351 VanDerWaalsContact O-N 3.13Å; S349-I351 PolarHBondContact O-N 2.95Å; I351-G353 PolarHBondContact O-N 3.11Å; I351-V356 HydrophobicContact CB-CG2 4.46Å; I351-V356 HydrophobicContact CG2-CG2 3.64Å
352	P	90.4	Very high	90.6	Very high	56 Å²	56	32.4 Å²	32.4	36%	0.364	22%	0.219	S	C	.	.			trans	-56.4	127.3	176.8	-25.1	33.1	0	0	0	111.7	F306 L350 G354 L355	F306-P352 HydrophobicContact CB-CG 3.75Å; F306-P352 HydrophobicContact CG-CG 4.11Å; L350-P352 WeakPolarHBondContact O-CD 3.36Å; P352-G354 PolarHBondContact O-N 2.78Å; P352-L355 HydrophobicContact CB-CD1 4.31Å; P352-L355 HydrophobicContact CB-CG 4.3Å; P352-L355 HydrophobicContact CG-CD1 4.13Å; P352-L355 WeakPolarHBondContact O-CB 3.4Å; P352-L355 PolarHBondContact O-N 3.47Å
353	G	85.4	Confident	90.2	Very high	67 Å²	67	33.2 Å²	33.2	69%	0.691	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-61.3	-16.6	-176.8	0	0	0	0	0	115	I351 L355	I351-G353 PolarHBondContact O-N 3.11Å; G353-L355 VanDerWaalsContact C-N 3.29Å
354	G	87.1	Confident	89.8	Confident	80 Å²	80	33.3 Å²	33.3	83%	0.825	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-75.7	-11.9	172.5	0	0	0	0	0	114.7	P352	P352-G354 PolarHBondContact O-N 2.78Å
355	L	91.4	Very high	89.7	Confident	50 Å²	50	32 Å²	32	26%	0.262	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-96.7	-5.2	176.6	-61.5	-179.9	0	0	0	113	V216 F306 R330 P352 G353	V216-L355 WeakPolarHBondContact CB-O 3.42Å; V216-L355 WeakPolarHBondContact CG2-O 3.34Å; F306-L355 HydrophobicContact CD1-CD1 3.77Å; F306-L355 HydrophobicContact CE1-CD1 4.15Å; R330-L355 HydrophobicContact CG-CD1 3.94Å; P352-L355 HydrophobicContact CB-CD1 4.31Å; P352-L355 HydrophobicContact CB-CG 4.3Å; P352-L355 HydrophobicContact CG-CD1 4.13Å; P352-L355 WeakPolarHBondContact O-CB 3.4Å; P352-L355 PolarHBondContact O-N 3.47Å; G353-L355 VanDerWaalsContact C-N 3.29Å
356	V	93.4	Very high	89.5	Confident	19 Å²	19	33.3 Å²	33.3	12%	0.115	23%	0.23	C	C	.	.			trans	-112.3	114	-174.6	-176.2	0	0	0	0	109.4	V216 L218 I351 R358 V359	V216-V356 HydrophobicContact CG1-CG2 4.41Å; L218-V356 HydrophobicContact CB-CG1 3.66Å; L218-V356 HydrophobicContact CD2-CG1 4.39Å; L218-V356 HydrophobicContact CD2-CG2 4.33Å; I351-V356 HydrophobicContact CB-CG2 4.46Å; I351-V356 HydrophobicContact CG2-CG2 3.64Å; V356-R358 WeakPolarHBondContact CG1-O 3.4Å; V356-V359 HydrophobicContact CG1-CG2 3.67Å
357	D	92.7	Very high	89.7	Confident	99 Å²	99	34.4 Å²	34.4	53%	0.529	23%	0.232	S	C	.	.	S	Bend	trans	-77.9	-29.5	-178.8	-56.2	-51.7	0	0	0	111.9	P214 R215 V216	P214-D357 HydrophobicContact CB-CB 3.74Å; R215-D357 WeakPolarHBondContact CA-OD2 3.47Å; R215-D357 WeakPolarHBondContact CB-OD2 3.3Å; R215-D357 PolarHBondContact N-OD2 3.17Å; V216-D357 PolarHBondContact N-OD2 3.36Å; V216-D357 PolarHBondContact O-N 3.16Å
358	R	92.4	Very high	89.6	Confident	19 Å²	19	35.4 Å²	35.4	7%	0.072	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130	-177	-173.7	170.7	-62.9	-174.9	4.1	111.9	K202 L203 E205 P214 V216 T217 L218 V356 T360	K202-R358 PolarHBondContact O-NH1 2.99Å; L203-R358 VanDerWaalsContact C-NH1 3.33Å; L203-R358 WeakPolarHBondContact O-CD 3.37Å; L203-R358 PolarHBondContact O-NH1 3.44Å; E205-R358 PolarHBondContact O-NH1 3.02Å; E205-R358 VanDerWaalsContact O-NH1 3.1Å; E205-R358 PolarHBondContact O-NH2 2.97Å; P214-R358 HydrophobicContact CB-CB 4.03Å; V216-R358 PolarHBondContact O-N 3.33Å; T217-R358 WeakPolarHBondContact CA-O 3.44Å; T217-R358 HydrophobicContact CG2-CB 4.24Å; T217-R358 HydrophobicContact CG2-CG 4.29Å; L218-R358 PolarHBondContact N-O 3.22Å; V356-R358 WeakPolarHBondContact CG1-O 3.4Å; R358-T360 HydrophobicContact CG-CG2 4.23Å
359	V	92.8	Very high	89.4	Confident	19 Å²	19	37.3 Å²	37.3	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.4	172.2	-166.9	0	0	0	0	109.6	V168 L171 L218 V356	V168-V359 HydrophobicContact CG2-CB 3.72Å; V168-V359 HydrophobicContact CG2-CG1 3.4Å; V168-V359 PolarHBondContact N-O 3.45Å; V168-V359 VanDerWaalsContact N-O 3.11Å; L171-V359 HydrophobicContact CD2-CG1 4.4Å; L218-V359 HydrophobicContact CD2-CG1 4.48Å; L218-V359 CarbonylContact O-C 3.57Å; L218-V359 WeakPolarHBondContact O-CA 3.29Å; V356-V359 HydrophobicContact CG1-CG2 3.67Å
360	T	93.3	Very high	89.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.1	176.8	54.7	0	0	0	0	110.5	L165 L166 L198 L203 L218 T219 V220 R358	L165-T360 HydrophobicContact CD1-CG2 4.45Å; L166-T360 CarbonylContact O-C 3.59Å; L166-T360 VanDerWaalsContact O-CA 3.24Å; L166-T360 WeakPolarHBondContact O-CA 3.49Å; L198-T360 HydrophobicContact CD2-CG2 4.04Å; L203-T360 HydrophobicContact CD1-CG2 3.73Å; L218-T360 PolarHBondContact O-N 3.39Å; L218-T360 PolarHBondContact O-OG1 2.76Å; T219-T360 CarbonylContact C-O 3.55Å; T219-T360 VanDerWaalsContact CA-O 3.32Å; T219-T360 WeakPolarHBondContact CA-O 3.43Å; T219-T360 WeakPolarHBondContact CA-OG1 3.41Å; T219-T360 WeakPolarHBondContact CB-OG1 3.31Å; T219-T360 PolarHBondContact OG1-OG1 2.98Å; V220-T360 WeakPolarHBondContact CG2-O 3.28Å; V220-T360 PolarHBondContact N-O 3.23Å; R358-T360 HydrophobicContact CG-CG2 4.23Å
361	E	91.6	Very high	89.5	Confident	20 Å²	20	34.8 Å²	34.8	9%	0.093	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.6	177	-178.6	176	156.7	0	0	110.3	L166 V168 Q175 R192 V220 P363	L166-E361 HydrophobicContact CB-CB 4.39Å; L166-E361 PolarHBondContact N-O 3.45Å; L166-E361 PolarHBondContact O-N 3.36Å; V168-E361 HydrophobicContact CG1-CB 4.24Å; Q175-E361 PolarHBondContact NE2-OE2 3.28Å; R192-E361 IonicContact CZ-OE2 2.78Å; R192-E361 IonicContact NH1-OE1 3.06Å; R192-E361 IonicContact NH1-OE2 2.6Å; R192-E361 PolarHBondContact NH1-OE2 2.86Å; R192-E361 IonicContact NH2-OE2 3.63Å; V220-E361 HydrophobicContact CG2-CB 4.08Å; V220-E361 HydrophobicContact CG2-CG 4.28Å; V220-E361 WeakPolarHBondContact O-CA 3.49Å; E361-P363 WeakPolarHBondContact O-CD 3.47Å
362	I	89.8	Confident	89.3	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.031	25%	0.252	C	S	.	.			trans	-83.7	115.9	172.7	-62.6	171.2	0	0	0	108.5	L165 T219 V220 I225 K227 W230	L165-I362 HydrophobicContact CD2-CG1 3.63Å; T219-I362 HydrophobicContact CG2-CD1 3.81Å; T219-I362 HydrophobicContact CG2-CG1 3.65Å; V220-I362 PolarHBondContact O-N 3Å; I225-I362 HydrophobicContact CG1-CG2 4.11Å; I225-I362 HydrophobicContact CG2-CB 4.24Å; I225-I362 HydrophobicContact CG2-CD1 4.44Å; I225-I362 HydrophobicContact CG2-CG2 4.24Å; K227-I362 HydrophobicContact CB-CD1 4.3Å; K227-I362 HydrophobicContact CG-CD1 3.94Å; W230-I362 HydrophobicContact CB-CD1 4.33Å; W230-I362 HydrophobicContact CG-CD1 3.98Å
363	P	87.1	Confident	89.1	Confident	17 Å²	17	35.1 Å²	35.1	11%	0.11	24%	0.236	C	C	.	.			trans	-69.1	142.3	175	28.8	-33	0	0	0	110.6	R163 S164 L166 E361	R163-P363 PolarHBondContact NH2-O 3.19Å; S164-P363 WeakPolarHBondContact O-CG 3.42Å; L166-P363 HydrophobicContact CD1-CB 4.13Å; L166-P363 HydrophobicContact CG-CB 4.48Å; L166-P363 HydrophobicContact CG-CG 4.49Å; E361-P363 WeakPolarHBondContact O-CD 3.47Å
364	G	86.9	Confident	89.2	Confident	3 Å²	3	32 Å²	32	3%	0.031	20%	0.203	C	C	.	.			trans	-66.9	-171.9	170.8	0	0	0	0	0	113.4	R163 G189 I225 S366 Y402	R163-G364 PolarHBondContact NH2-O 2.8Å; G189-G364 CarbonylContact O-C 3.45Å; G189-G364 VanDerWaalsContact O-C 3.28Å; I225-G364 VanDerWaalsContact CD1-CA 3.45Å; G364-S366 PolarHBondContact O-N 3.39Å; G364-Y402 CarbonylContact C-O 3.29Å; G364-Y402 VanDerWaalsContact CA-O 3.26Å; G364-Y402 WeakPolarHBondContact CA-O 3.26Å
365	F	88.3	Confident	89.2	Confident	5 Å²	5	32.2 Å²	32.2	2%	0.022	19%	0.185	C	C	.	.			trans	-74.3	127.5	171.7	-72.2	-11.3	0	0	0	110.8	L158 G189 D369 I370 F373 Y402 P404 C407	L158-F365 HydrophobicContact CD1-CE1 3.7Å; L158-F365 HydrophobicContact CD1-CE2 4.07Å; L158-F365 HydrophobicContact CD1-CZ 3.15Å; L158-F365 HydrophobicContact CD2-CD1 4.49Å; L158-F365 HydrophobicContact CD2-CE1 3.69Å; L158-F365 HydrophobicContact CD2-CZ 3.82Å; L158-F365 HydrophobicContact CG-CE1 4.28Å; L158-F365 HydrophobicContact CG-CZ 4.09Å; G189-F365 WeakPolarHBondContact CA-O 3.45Å; F365-D369 HydrophobicContact CB-CB 3.77Å; F365-D369 HydrophobicContact CD1-CB 3.94Å; F365-D369 HydrophobicContact CG-CB 3.92Å; F365-I370 HydrophobicContact CB-CG1 3.72Å; F365-I370 HydrophobicContact CD2-CG1 4.08Å; F365-I370 HydrophobicContact CG-CG1 4.4Å; F365-F373 HydrophobicContact CE2-CB 4.1Å; F365-F373 HydrophobicContact CE2-CD1 4.46Å; F365-F373 HydrophobicContact CE2-CD2 4.38Å; F365-F373 HydrophobicContact CE2-CG 4.03Å; F365-Y402 PolarHBondContact N-O 3.5Å; F365-Y402 WeakPolarHBondContact O-CD1 3.12Å; F365-P404 HydrophobicContact CD1-CG 3.88Å; F365-P404 HydrophobicContact CD2-CG 4.47Å; F365-P404 HydrophobicContact CE1-CB 3.88Å; F365-P404 HydrophobicContact CE1-CG 3.46Å; F365-P404 VanDerWaalsContact CE1-CG 3.46Å; F365-P404 HydrophobicContact CE2-CB 3.86Å; F365-P404 HydrophobicContact CE2-CG 4.11Å; F365-P404 HydrophobicContact CG-CG 4.33Å; F365-P404 HydrophobicContact CZ-CB 3.38Å; F365-P404 HydrophobicContact CZ-CG 3.53Å; F365-C407 HydrophobicContact CD2-CB 4.24Å; F365-C407 HydrophobicContact CE2-CB 4.18Å
366	S	86.6	Confident	88.7	Confident	30 Å²	30	35.2 Å²	35.2	21%	0.21	20%	0.198	C	C	.	.			trans	-68.7	163.5	160.6	67.5	0	0	0	0	110.5	G189 G364 A368 D369 I370	G189-S366 PolarHBondContact O-N 3.16Å; G364-S366 PolarHBondContact O-N 3.39Å; S366-A368 PolarHBondContact O-N 3.04Å; S366-A368 VanDerWaalsContact O-N 3.15Å; S366-D369 WeakPolarHBondContact CB-OD2 3.32Å; S366-D369 PolarHBondContact N-OD2 3.27Å; S366-D369 WeakPolarHBondContact O-CB 3.47Å; S366-D369 PolarHBondContact O-N 3.06Å; S366-D369 PolarHBondContact OG-N 3.32Å; S366-D369 VanDerWaalsContact OG-N 3.17Å; S366-D369 PolarHBondContact OG-OD2 3.34Å; S366-I370 PolarHBondContact O-N 2.97Å
367	P	88.2	Confident	88	Confident	53 Å²	53	36 Å²	36	34%	0.344	20%	0.2	S	C	.	.	H	α-helix	trans	-49.9	-37.9	170.8	-30.4	37	0	0	0	113.4	I370 Q371 W388 Y402	P367-I370 PolarHBondContact O-N 3.39Å; P367-Q371 PolarHBondContact O-N 2.96Å; P367-W388 HydrophobicContact CB-CH2 4Å; P367-W388 WeakPolarHBondContact O-CH2 3.44Å; P367-Y402 HydrophobicContact CG-CE1 4.23Å
368	A	86.8	Confident	87.4	Confident	57 Å²	57	31.9 Å²	31.9	47%	0.471	18%	0.178	S	C	.	.	H	α-helix	trans	-67.9	-40.9	175.9	0	0	0	0	0	112.3	S366 I370 Q371 V372	S366-A368 PolarHBondContact O-N 3.04Å; S366-A368 VanDerWaalsContact O-N 3.15Å; A368-I370 VanDerWaalsContact C-N 3.31Å; A368-I370 PolarHBondContact O-N 2.71Å; A368-Q371 PolarHBondContact O-N 2.83Å; A368-V372 WeakPolarHBondContact O-CG2 3.46Å; A368-V372 PolarHBondContact O-N 3.36Å
369	D	86.7	Confident	86.4	Confident	40 Å²	40	37.1 Å²	37.1	21%	0.214	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-37.6	175.9	-63.4	-52.4	0	0	0	112	R163 F365 S366 V372 F373	R163-D369 IonicContact CZ-OD2 2.74Å; R163-D369 IonicContact NH1-OD1 2.56Å; R163-D369 PolarHBondContact NH1-OD1 2.97Å; R163-D369 IonicContact NH1-OD2 2.98Å; R163-D369 PolarHBondContact NH1-OD2 3.42Å; R163-D369 IonicContact NH2-OD2 3.76Å; F365-D369 HydrophobicContact CB-CB 3.77Å; F365-D369 HydrophobicContact CD1-CB 3.94Å; F365-D369 HydrophobicContact CG-CB 3.92Å; S366-D369 WeakPolarHBondContact CB-OD2 3.32Å; S366-D369 PolarHBondContact N-OD2 3.27Å; S366-D369 WeakPolarHBondContact O-CB 3.47Å; S366-D369 PolarHBondContact O-N 3.06Å; S366-D369 PolarHBondContact OG-N 3.32Å; S366-D369 VanDerWaalsContact OG-N 3.17Å; S366-D369 PolarHBondContact OG-OD2 3.34Å; D369-V372 PolarHBondContact O-N 3.02Å; D369-F373 VanDerWaalsContact O-CB 3.29Å; D369-F373 WeakPolarHBondContact O-CB 3.31Å; D369-F373 PolarHBondContact O-N 3.22Å
370	I	89.1	Confident	85.4	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-47.4	175.5	-64.4	170.7	0	0	0	109.8	F365 S366 P367 A368 V372 F373 L374 W388 L391 M398 C401 Y402	F365-I370 HydrophobicContact CB-CG1 3.72Å; F365-I370 HydrophobicContact CD2-CG1 4.08Å; F365-I370 HydrophobicContact CG-CG1 4.4Å; S366-I370 PolarHBondContact O-N 2.97Å; P367-I370 PolarHBondContact O-N 3.39Å; A368-I370 VanDerWaalsContact C-N 3.31Å; A368-I370 PolarHBondContact O-N 2.71Å; I370-V372 VanDerWaalsContact C-N 3.34Å; I370-V372 PolarHBondContact O-N 3.08Å; I370-F373 WeakPolarHBondContact O-CB 3.22Å; I370-F373 PolarHBondContact O-N 3.4Å; I370-L374 HydrophobicContact CG2-CD1 3.9Å; I370-L374 HydrophobicContact CG2-CG 4.2Å; I370-L374 VanDerWaalsContact O-CG 3.28Å; I370-L374 WeakPolarHBondContact O-CG 3.44Å; I370-L374 PolarHBondContact O-N 3.15Å; I370-W388 HydrophobicContact CB-CZ3 3.94Å; I370-W388 HydrophobicContact CG2-CE3 4.06Å; I370-W388 HydrophobicContact CG2-CZ3 3.73Å; I370-L391 HydrophobicContact CG2-CD1 4.06Å; I370-M398 HydrophobicContact CD1-SD 3.77Å; I370-C401 HydrophobicContact CD1-CB 3.7Å; I370-C401 HydrophobicContact CG1-CB 4.36Å; I370-Y402 HydrophobicContact CD1-CD1 3.79Å; I370-Y402 HydrophobicContact CD1-CE1 4.06Å
371	Q	89	Confident	84.3	Confident	80 Å²	80	47.6 Å²	47.6	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-45.9	177.1	-71	-179.1	-26.4	0	0	111.8	P367 A368 F373 L374 N375 W388	P367-Q371 PolarHBondContact O-N 2.96Å; A368-Q371 PolarHBondContact O-N 2.83Å; Q371-F373 VanDerWaalsContact C-N 3.32Å; Q371-F373 PolarHBondContact O-N 3.19Å; Q371-L374 PolarHBondContact O-N 2.95Å; Q371-N375 WeakPolarHBondContact O-CB 3.24Å; Q371-N375 PolarHBondContact O-N 3.34Å; Q371-N375 PolarHBondContact O-ND2 2.89Å; Q371-W388 HydrophobicContact CG-CD2 3.68Å; Q371-W388 HydrophobicContact CG-CE3 3.52Å; Q371-W388 HydrophobicContact CG-CG 4.5Å; Q371-W388 HydrophobicContact CG-CH2 3.68Å; Q371-W388 HydrophobicContact CG-CZ2 3.86Å; Q371-W388 HydrophobicContact CG-CZ3 3.52Å
372	V	86.1	Confident	84	Confident	70 Å²	70	50.4 Å²	50.4	42%	0.424	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-46.5	175.4	171.1	0	0	0	0	110.2	A368 D369 I370 N375 H376	A368-V372 WeakPolarHBondContact O-CG2 3.46Å; A368-V372 PolarHBondContact O-N 3.36Å; D369-V372 PolarHBondContact O-N 3.02Å; I370-V372 VanDerWaalsContact C-N 3.34Å; I370-V372 PolarHBondContact O-N 3.08Å; V372-N375 PolarHBondContact O-N 3.25Å; V372-H376 PolarHBondContact O-N 2.83Å; V372-H376 PolarHBondContact O-ND1 2.91Å
373	F	86.3	Confident	84	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-52	177.4	169.7	-103.5	0	0	0	111.9	C155 L158 F365 D369 I370 Q371 N375 H376 H377 C407 W408 A411	C155-F373 WeakPolarHBondContact SG-CE2 3.38Å; L158-F373 HydrophobicContact CD1-CD2 3.71Å; L158-F373 HydrophobicContact CD1-CE2 4.45Å; L158-F373 HydrophobicContact CD1-CG 4.48Å; L158-F373 HydrophobicContact CD2-CB 4.35Å; L158-F373 HydrophobicContact CG-CD2 4.36Å; F365-F373 HydrophobicContact CE2-CB 4.1Å; F365-F373 HydrophobicContact CE2-CD1 4.46Å; F365-F373 HydrophobicContact CE2-CD2 4.38Å; F365-F373 HydrophobicContact CE2-CG 4.03Å; D369-F373 VanDerWaalsContact O-CB 3.29Å; D369-F373 WeakPolarHBondContact O-CB 3.31Å; D369-F373 PolarHBondContact O-N 3.22Å; I370-F373 WeakPolarHBondContact O-CB 3.22Å; I370-F373 PolarHBondContact O-N 3.4Å; Q371-F373 VanDerWaalsContact C-N 3.32Å; Q371-F373 PolarHBondContact O-N 3.19Å; F373-N375 VanDerWaalsContact C-N 3.33Å; F373-N375 PolarHBondContact O-N 3.32Å; F373-H376 PolarHBondContact O-N 3.27Å; F373-H377 HydrophobicContact CE2-CB 4.42Å; F373-H377 HydrophobicContact CZ-CB 4.3Å; F373-H377 VanDerWaalsContact O-CB 3.26Å; F373-H377 WeakPolarHBondContact O-CB 3.49Å; F373-H377 PolarHBondContact O-N 2.97Å; F373-C407 HydrophobicContact CD1-CB 4.46Å; F373-C407 WeakPolarHBondContact CD1-SG 3.31Å; F373-C407 HydrophobicContact CE1-CB 4.33Å; F373-W408 HydrophobicContact CZ-CB 3.9Å; F373-A411 HydrophobicContact CE1-CB 4.14Å
374	L	88	Confident	84.1	Confident	1 Å²	1	51 Å²	51	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-44.1	-179.3	-64.5	172.4	0	0	0	111.2	I370 Q371 H376 H377 F378 A384 I387 W388 L391 A411	I370-L374 HydrophobicContact CG2-CD1 3.9Å; I370-L374 HydrophobicContact CG2-CG 4.2Å; I370-L374 VanDerWaalsContact O-CG 3.28Å; I370-L374 WeakPolarHBondContact O-CG 3.44Å; I370-L374 PolarHBondContact O-N 3.15Å; Q371-L374 PolarHBondContact O-N 2.95Å; L374-H376 VanDerWaalsContact C-N 3.33Å; L374-H376 PolarHBondContact O-N 3.46Å; L374-H377 PolarHBondContact O-N 2.87Å; L374-F378 HydrophobicContact CB-CD2 4.42Å; L374-F378 HydrophobicContact CB-CE2 4.34Å; L374-F378 HydrophobicContact CD2-CE2 3.81Å; L374-F378 WeakPolarHBondContact O-CD2 3.39Å; L374-F378 PolarHBondContact O-N 3.32Å; L374-F378 VanDerWaalsContact O-N 3.08Å; L374-A384 HydrophobicContact CB-CB 4.18Å; L374-I387 HydrophobicContact CD1-CG2 4.1Å; L374-I387 HydrophobicContact CD2-CG2 3.88Å; L374-W388 HydrophobicContact CD1-CB 4.32Å; L374-W388 HydrophobicContact CD1-CE3 4.16Å; L374-L391 HydrophobicContact CD1-CD1 4.33Å; L374-A411 HydrophobicContact CD2-CB 4.19Å
375	N	85.9	Confident	84.3	Confident	85 Å²	85	55.1 Å²	55.1	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-33.3	179.1	-69	-20.8	0	0	0	113.2	Q371 V372 F373 A384	Q371-N375 WeakPolarHBondContact O-CB 3.24Å; Q371-N375 PolarHBondContact O-N 3.34Å; Q371-N375 PolarHBondContact O-ND2 2.89Å; V372-N375 PolarHBondContact O-N 3.25Å; F373-N375 VanDerWaalsContact C-N 3.33Å; F373-N375 PolarHBondContact O-N 3.32Å; N375-A384 WeakPolarHBondContact OD1-CB 3.46Å
376	H	81.2	Confident	84.5	Confident	112 Å²	112	61.3 Å²	61.3	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-81	-26.5	175.6	-74.7	81.8	0	0	0	113	K157 V372 F373 L374	K157-H376 WeakPolarHBondContact CD-O 3.23Å; K157-H376 PolarHBondContact NZ-O 3.24Å; V372-H376 PolarHBondContact O-N 2.83Å; V372-H376 PolarHBondContact O-ND1 2.91Å; F373-H376 PolarHBondContact O-N 3.27Å; L374-H376 VanDerWaalsContact C-N 3.33Å; L374-H376 PolarHBondContact O-N 3.46Å
377	H	79.6	Confident	84.7	Confident	36 Å²	36	59.9 Å²	59.9	17%	0.167	32%	0.323	C	S	.	.	H	α-helix	trans	-75.7	-41.5	-178.1	-166.4	71.4	0	0	0	111.5	F373 L374 W408 E412	F373-H377 HydrophobicContact CE2-CB 4.42Å; F373-H377 HydrophobicContact CZ-CB 4.3Å; F373-H377 VanDerWaalsContact O-CB 3.26Å; F373-H377 WeakPolarHBondContact O-CB 3.49Å; F373-H377 PolarHBondContact O-N 2.97Å; L374-H377 PolarHBondContact O-N 2.87Å; H377-W408 AromaticContact CE1-CD1 3.72Å; H377-W408 AromaticContact CE1-NE1 3.94Å; H377-E412 IonicContact CD2-OE1 3.88Å; H377-E412 IonicContact CE1-OE1 2.79Å; H377-E412 PolarHBondContact CE1-OE1 3.1Å; H377-E412 IonicContact NE2-OE1 3.47Å; H377-E412 PolarHBondContact NE2-OE1 2.89Å
378	F	80.9	Confident	85	Confident	13 Å²	13	59.1 Å²	59.1	6%	0.057	31%	0.313	C	S	.	.			trans	-101	132	-178.4	-54.7	-64.8	0	0	0	112.6	L374 E380 F383 A384 I387 A411 L415	L374-F378 HydrophobicContact CB-CD2 4.42Å; L374-F378 HydrophobicContact CB-CE2 4.34Å; L374-F378 HydrophobicContact CD2-CE2 3.81Å; L374-F378 WeakPolarHBondContact O-CD2 3.39Å; L374-F378 PolarHBondContact O-N 3.32Å; L374-F378 VanDerWaalsContact O-N 3.08Å; F378-E380 VanDerWaalsContact C-N 3.33Å; F378-F383 HydrophobicContact CD1-CB 4.4Å; F378-F383 HydrophobicContact CD2-CB 4.48Å; F378-F383 HydrophobicContact CG-CB 4.22Å; F378-A384 HydrophobicContact CD2-CB 3.99Å; F378-I387 HydrophobicContact CE1-CD1 4.25Å; F378-I387 HydrophobicContact CE2-CD1 3.55Å; F378-I387 HydrophobicContact CZ-CD1 3.33Å; F378-A411 HydrophobicContact CE2-CB 4.34Å; F378-A411 HydrophobicContact CZ-CB 3.76Å; F378-L415 HydrophobicContact CD1-CD1 4.19Å; F378-L415 HydrophobicContact CD1-CD2 4.26Å; F378-L415 HydrophobicContact CE1-CB 3.97Å; F378-L415 HydrophobicContact CE1-CD1 4.02Å; F378-L415 HydrophobicContact CE1-CD2 3.92Å; F378-L415 HydrophobicContact CE1-CG 4.18Å
379	S	70.2	Confident	85.3	Confident	129 Å²	129	58.9 Å²	58.9	90%	0.902	31%	0.311	S	S	*	.	S	Bend	trans	-72.6	-25.7	174	-51.4	0	0	0	0	113.1
380	E	71.6	Confident	85.7	Confident	120 Å²	120	57.9 Å²	57.9	56%	0.561	31%	0.305	S	S	*	.	S	Bend	trans	-104.2	120.6	179.1	-68.6	178.1	-157.2	0	0	110.8	F378 D382 F383	F378-E380 VanDerWaalsContact C-N 3.33Å; E380-D382 PolarHBondContact O-N 3.25Å; E380-D382 VanDerWaalsContact O-N 3.15Å; E380-F383 HydrophobicContact CB-CD2 3.95Å; E380-F383 HydrophobicContact CB-CE2 4.34Å; E380-F383 PolarHBondContact O-N 2.79Å; E380-F383 VanDerWaalsContact OE2-CE2 3.22Å; E380-F383 WeakPolarHBondContact OE2-CE2 3.49Å
381	N	71	Confident	85.9	Confident	118 Å²	118	57.9 Å²	57.9	63%	0.631	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-20.5	-175.3	-71.9	-22	0	0	0	114.5	T385	N381-T385 PolarHBondContact O-N 3.21Å; N381-T385 PolarHBondContact O-OG1 3.35Å
382	D	85.5	Confident	86	Confident	80 Å²	80	59.6 Å²	59.6	43%	0.428	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-38.8	-178.6	-170.3	35.2	0	0	0	112	E380 T385 R386	E380-D382 PolarHBondContact O-N 3.25Å; E380-D382 VanDerWaalsContact O-N 3.15Å; D382-T385 PolarHBondContact O-N 3.46Å; D382-R386 VanDerWaalsContact CG-NE 3.33Å; D382-R386 WeakPolarHBondContact O-CB 3.48Å; D382-R386 VanDerWaalsContact O-CG 3.29Å; D382-R386 WeakPolarHBondContact O-CG 3.39Å; D382-R386 PolarHBondContact O-N 3.43Å; D382-R386 IonicContact OD1-CZ 3.33Å; D382-R386 IonicContact OD1-NE 3.38Å; D382-R386 PolarHBondContact OD1-NE 3.04Å; D382-R386 VanDerWaalsContact OD1-NE 3.08Å; D382-R386 IonicContact OD1-NH2 3.82Å; D382-R386 IonicContact OD2-CZ 2.67Å; D382-R386 IonicContact OD2-NE 3.95Å; D382-R386 PolarHBondContact OD2-NE 3.46Å; D382-R386 IonicContact OD2-NH2 3.94Å; D382-R386 PolarHBondContact OD2-NH2 3.13Å
383	F	88.3	Confident	86.3	Confident	34 Å²	34	59.6 Å²	59.6	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-45.4	177	-69.8	-66.4	0	0	0	112.2	F378 E380 T385 R386 I387 L415 M418 Q419	F378-F383 HydrophobicContact CD1-CB 4.4Å; F378-F383 HydrophobicContact CD2-CB 4.48Å; F378-F383 HydrophobicContact CG-CB 4.22Å; E380-F383 HydrophobicContact CB-CD2 3.95Å; E380-F383 HydrophobicContact CB-CE2 4.34Å; E380-F383 PolarHBondContact O-N 2.79Å; E380-F383 VanDerWaalsContact OE2-CE2 3.22Å; E380-F383 WeakPolarHBondContact OE2-CE2 3.49Å; F383-T385 VanDerWaalsContact C-N 3.29Å; F383-T385 PolarHBondContact O-N 3.04Å; F383-R386 PolarHBondContact O-N 3.24Å; F383-I387 WeakPolarHBondContact O-CB 3.32Å; F383-I387 WeakPolarHBondContact O-CG1 3.41Å; F383-I387 PolarHBondContact O-N 3.09Å; F383-L415 HydrophobicContact CD1-CD1 3.99Å; F383-L415 HydrophobicContact CD2-CD1 4.12Å; F383-L415 HydrophobicContact CE1-CD1 4.21Å; F383-L415 HydrophobicContact CE2-CD1 4.32Å; F383-L415 HydrophobicContact CG-CD1 3.97Å; F383-L415 HydrophobicContact CZ-CD1 4.38Å; F383-M418 HydrophobicContact CD1-CB 4.26Å; F383-M418 HydrophobicContact CD1-CE 3.53Å; F383-M418 HydrophobicContact CD1-SD 3.98Å; F383-M418 HydrophobicContact CE1-CB 3.88Å; F383-M418 HydrophobicContact CE1-CE 3.97Å; F383-Q419 HydrophobicContact CZ-CG 4.35Å
384	A	90.1	Very high	86.5	Confident	2 Å²	2	61.3 Å²	61.3	2%	0.017	33%	0.329	C	S	.	.	H	α-helix	trans	-57.6	-44.9	178.1	0	0	0	0	0	111.3	L374 N375 F378 W388	L374-A384 HydrophobicContact CB-CB 4.18Å; N375-A384 WeakPolarHBondContact OD1-CB 3.46Å; F378-A384 HydrophobicContact CD2-CB 3.99Å; A384-W388 WeakPolarHBondContact O-CB 3.29Å; A384-W388 PolarHBondContact O-N 3.12Å
385	T	90.9	Very high	86.6	Confident	88 Å²	88	63.3 Å²	63.3	54%	0.54	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-44.9	-180	-52.5	0	0	0	0	111.9	N381 D382 F383 W388 A389	N381-T385 PolarHBondContact O-N 3.21Å; N381-T385 PolarHBondContact O-OG1 3.35Å; D382-T385 PolarHBondContact O-N 3.46Å; F383-T385 VanDerWaalsContact C-N 3.29Å; F383-T385 PolarHBondContact O-N 3.04Å; T385-W388 PolarHBondContact O-N 3.2Å; T385-A389 PolarHBondContact O-N 2.93Å
386	R	91.8	Very high	86.8	Confident	136 Å²	136	60 Å²	60	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-66.1	-41.6	178.5	-71.3	175.9	-172.1	-157.6	9.2	112.5	D382 F383 A389 H390 M418	D382-R386 VanDerWaalsContact CG-NE 3.33Å; D382-R386 WeakPolarHBondContact O-CB 3.48Å; D382-R386 VanDerWaalsContact O-CG 3.29Å; D382-R386 WeakPolarHBondContact O-CG 3.39Å; D382-R386 PolarHBondContact O-N 3.43Å; D382-R386 IonicContact OD1-CZ 3.33Å; D382-R386 IonicContact OD1-NE 3.38Å; D382-R386 PolarHBondContact OD1-NE 3.04Å; D382-R386 VanDerWaalsContact OD1-NE 3.08Å; D382-R386 IonicContact OD1-NH2 3.82Å; D382-R386 IonicContact OD2-CZ 2.67Å; D382-R386 IonicContact OD2-NE 3.95Å; D382-R386 PolarHBondContact OD2-NE 3.46Å; D382-R386 IonicContact OD2-NH2 3.94Å; D382-R386 PolarHBondContact OD2-NH2 3.13Å; F383-R386 PolarHBondContact O-N 3.24Å; R386-A389 PolarHBondContact O-N 2.88Å; R386-H390 WeakPolarHBondContact O-CB 3.47Å; R386-H390 PolarHBondContact O-N 2.77Å; R386-M418 HydrophobicContact CB-CE 3.75Å; R386-M418 HydrophobicContact CG-CE 4.24Å
387	I	92.5	Very high	87.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-42.2	176.6	-70.8	169.3	0	0	0	110.3	L374 F378 F383 H390 L391 L410 L414 M418	L374-I387 HydrophobicContact CD1-CG2 4.1Å; L374-I387 HydrophobicContact CD2-CG2 3.88Å; F378-I387 HydrophobicContact CE1-CD1 4.25Å; F378-I387 HydrophobicContact CE2-CD1 3.55Å; F378-I387 HydrophobicContact CZ-CD1 3.33Å; F383-I387 WeakPolarHBondContact O-CB 3.32Å; F383-I387 WeakPolarHBondContact O-CG1 3.41Å; F383-I387 PolarHBondContact O-N 3.09Å; I387-H390 WeakPolarHBondContact O-CB 3.33Å; I387-H390 PolarHBondContact O-N 3.15Å; I387-L391 HydrophobicContact CG2-CD1 4.29Å; I387-L391 HydrophobicContact CG2-CG 4.49Å; I387-L391 WeakPolarHBondContact O-CG 3.3Å; I387-L391 PolarHBondContact O-N 3.17Å; I387-L410 HydrophobicContact CG2-CD2 4.08Å; I387-L414 HydrophobicContact CB-CD1 4.43Å; I387-L414 HydrophobicContact CD1-CB 4.05Å; I387-L414 HydrophobicContact CG1-CB 4.04Å; I387-L414 HydrophobicContact CG1-CD1 3.99Å; I387-L414 HydrophobicContact CG2-CD1 3.94Å; I387-M418 HydrophobicContact CG1-SD 4.2Å
388	W	93.6	Very high	87.9	Confident	36 Å²	36	53.9 Å²	53.9	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-57.9	-50	174.4	-179.6	-101.1	0	0	0	112	P367 I370 Q371 L374 A384 T385 H390 L391 E392 M398	P367-W388 HydrophobicContact CB-CH2 4Å; P367-W388 WeakPolarHBondContact O-CH2 3.44Å; I370-W388 HydrophobicContact CB-CZ3 3.94Å; I370-W388 HydrophobicContact CG2-CE3 4.06Å; I370-W388 HydrophobicContact CG2-CZ3 3.73Å; Q371-W388 HydrophobicContact CG-CD2 3.68Å; Q371-W388 HydrophobicContact CG-CE3 3.52Å; Q371-W388 HydrophobicContact CG-CG 4.5Å; Q371-W388 HydrophobicContact CG-CH2 3.68Å; Q371-W388 HydrophobicContact CG-CZ2 3.86Å; Q371-W388 HydrophobicContact CG-CZ3 3.52Å; L374-W388 HydrophobicContact CD1-CB 4.32Å; L374-W388 HydrophobicContact CD1-CE3 4.16Å; A384-W388 WeakPolarHBondContact O-CB 3.29Å; A384-W388 PolarHBondContact O-N 3.12Å; T385-W388 PolarHBondContact O-N 3.2Å; W388-H390 VanDerWaalsContact C-N 3.26Å; W388-H390 PolarHBondContact O-N 2.93Å; W388-L391 WeakPolarHBondContact O-CB 3.46Å; W388-L391 PolarHBondContact O-N 3.41Å; W388-L391 VanDerWaalsContact O-N 3.09Å; W388-E392 HydrophobicContact CZ2-CG 4.21Å; W388-E392 PolarHBondContact NE1-OE1 2.77Å; W388-E392 PolarHBondContact NE1-OE2 3.34Å; W388-E392 PolarHBondContact O-N 2.67Å; W388-M398 HydrophobicContact CE3-CE 4.38Å; W388-M398 HydrophobicContact CH2-CE 3.81Å; W388-M398 HydrophobicContact CZ2-CE 4.31Å; W388-M398 HydrophobicContact CZ3-CE 3.84Å; W388-M398 HydrophobicContact CZ3-SD 4.38Å
389	A	93.3	Very high	88.3	Confident	52 Å²	52	53.8 Å²	53.8	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-37.2	177.1	0	0	0	0	0	112.3	T385 R386 E392 A393	T385-A389 PolarHBondContact O-N 2.93Å; R386-A389 PolarHBondContact O-N 2.88Å; A389-E392 PolarHBondContact O-N 2.65Å; A389-A393 PolarHBondContact O-N 3.47Å; A389-A393 VanDerWaalsContact O-N 3.11Å
390	H	94.3	Very high	89.3	Confident	19 Å²	19	47.8 Å²	47.8	9%	0.088	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-40.7	175	-173.6	71.6	0	0	0	112.4	R386 I387 W388 A393 H394 L426 P427	R386-H390 WeakPolarHBondContact O-CB 3.47Å; R386-H390 PolarHBondContact O-N 2.77Å; I387-H390 WeakPolarHBondContact O-CB 3.33Å; I387-H390 PolarHBondContact O-N 3.15Å; W388-H390 VanDerWaalsContact C-N 3.26Å; W388-H390 PolarHBondContact O-N 2.93Å; H390-A393 PolarHBondContact O-N 3.31Å; H390-H394 AromaticContact CE1-CE1 3.33Å; H390-H394 PolarHBondContact CE1-CE1 3.14Å; H390-H394 AromaticContact CE1-ND1 3.33Å; H390-H394 PolarHBondContact CE1-ND1 2.81Å; H390-H394 VanDerWaalsContact CE1-ND1 3.33Å; H390-H394 AromaticContact CG-ND1 3.93Å; H390-H394 AromaticContact ND1-CE1 3.46Å; H390-H394 PolarHBondContact ND1-CE1 3.16Å; H390-H394 AromaticContact ND1-ND1 3.41Å; H390-H394 PolarHBondContact ND1-ND1 3.22Å; H390-H394 AromaticContact NE2-ND1 3.78Å; H390-H394 PolarHBondContact O-N 3Å; H390-H394 VanDerWaalsContact O-N 3.12Å; H390-H394 PolarHBondContact O-ND1 3.5Å; H390-L426 HydrophobicContact CB-CD1 4.37Å; H390-P427 PolarHBondContact CE1-O 3.37Å; H390-P427 PolarHBondContact NE2-O 3.01Å
391	L	93.4	Very high	90.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-41.4	175.3	-69.3	174.2	0	0	0	111.9	I370 L374 I387 W388 A393 H394 L397 M398 C401 L410	I370-L391 HydrophobicContact CG2-CD1 4.06Å; L374-L391 HydrophobicContact CD1-CD1 4.33Å; I387-L391 HydrophobicContact CG2-CD1 4.29Å; I387-L391 HydrophobicContact CG2-CG 4.49Å; I387-L391 WeakPolarHBondContact O-CG 3.3Å; I387-L391 PolarHBondContact O-N 3.17Å; W388-L391 WeakPolarHBondContact O-CB 3.46Å; W388-L391 PolarHBondContact O-N 3.41Å; W388-L391 VanDerWaalsContact O-N 3.09Å; L391-A393 VanDerWaalsContact C-N 3.28Å; L391-A393 PolarHBondContact O-N 2.98Å; L391-H394 CarbonylContact O-C 3.45Å; L391-H394 PolarHBondContact O-N 2.88Å; L391-H394 VanDerWaalsContact O-N 3.14Å; L391-L397 HydrophobicContact CD2-CB 3.8Å; L391-M398 HydrophobicContact CB-CE 3.58Å; L391-M398 HydrophobicContact CB-SD 4.31Å; L391-C401 HydrophobicContact CD1-CB 4.5Å; L391-C401 VanDerWaalsContact CD2-SG 3.57Å; L391-L410 HydrophobicContact CD2-CD1 3.75Å; L391-L410 HydrophobicContact CD2-CD2 3.91Å; L391-L410 HydrophobicContact CG-CD2 4.42Å
392	E	91.5	Very high	91.2	Very high	117 Å²	117	36.8 Å²	36.8	55%	0.547	19%	0.194	S	C	.	.	H	α-helix	trans	-61.1	-38.1	175.8	-73.6	-176.9	140.1	0	0	112	W388 A389 H394 M398	W388-E392 HydrophobicContact CZ2-CG 4.21Å; W388-E392 PolarHBondContact NE1-OE1 2.77Å; W388-E392 PolarHBondContact NE1-OE2 3.34Å; W388-E392 PolarHBondContact O-N 2.67Å; A389-E392 PolarHBondContact O-N 2.65Å; E392-H394 VanDerWaalsContact C-N 3.34Å; E392-M398 HydrophobicContact CG-CE 4.24Å
393	A	91.3	Very high	91.5	Very high	70 Å²	70	33 Å²	33	58%	0.579	17%	0.174	S	C	*	.	H	α-helix	trans	-72	-25.2	176	0	0	0	0	0	113.5	A389 H390 L391	A389-A393 PolarHBondContact O-N 3.47Å; A389-A393 VanDerWaalsContact O-N 3.11Å; H390-A393 PolarHBondContact O-N 3.31Å; L391-A393 VanDerWaalsContact C-N 3.28Å; L391-A393 PolarHBondContact O-N 2.98Å
394	H	91.6	Very high	91.5	Very high	39 Å²	39	32 Å²	32	18%	0.181	17%	0.171	C	C	.	.			trans	-124.4	84.3	-171.5	-58.3	87.7	0	0	0	112.2	H390 L391 E392 I396 L397 M398 K428	H390-H394 AromaticContact CE1-CE1 3.33Å; H390-H394 PolarHBondContact CE1-CE1 3.14Å; H390-H394 AromaticContact CE1-ND1 3.33Å; H390-H394 PolarHBondContact CE1-ND1 2.81Å; H390-H394 VanDerWaalsContact CE1-ND1 3.33Å; H390-H394 AromaticContact CG-ND1 3.93Å; H390-H394 AromaticContact ND1-CE1 3.46Å; H390-H394 PolarHBondContact ND1-CE1 3.16Å; H390-H394 AromaticContact ND1-ND1 3.41Å; H390-H394 PolarHBondContact ND1-ND1 3.22Å; H390-H394 AromaticContact NE2-ND1 3.78Å; H390-H394 PolarHBondContact O-N 3Å; H390-H394 VanDerWaalsContact O-N 3.12Å; H390-H394 PolarHBondContact O-ND1 3.5Å; L391-H394 CarbonylContact O-C 3.45Å; L391-H394 PolarHBondContact O-N 2.88Å; L391-H394 VanDerWaalsContact O-N 3.14Å; E392-H394 VanDerWaalsContact C-N 3.34Å; H394-I396 VanDerWaalsContact C-N 3.31Å; H394-I396 PolarHBondContact O-N 3.22Å; H394-I396 VanDerWaalsContact O-N 3.11Å; H394-L397 HydrophobicContact CB-CB 4.38Å; H394-L397 HydrophobicContact CB-CD1 3.95Å; H394-L397 HydrophobicContact CB-CG 4.14Å; H394-L397 WeakPolarHBondContact O-CB 3.45Å; H394-L397 PolarHBondContact O-N 2.88Å; H394-M398 PolarHBondContact O-N 3.44Å; H394-K428 WeakPolarHBondContact NE2-CG 3.45Å
395	K	89.9	Confident	91.5	Very high	43 Å²	43	33.2 Å²	33.2	19%	0.187	18%	0.179	C	C	.	.	H	α-helix	trans	-48.1	-40.4	-174.5	-62	174.3	-172.2	179.6	0	115.9	M398 V399 E653 V679 S680	K395-M398 WeakPolarHBondContact O-CB 3.28Å; K395-M398 PolarHBondContact O-N 2.9Å; K395-V399 WeakPolarHBondContact O-CG2 3.49Å; K395-V399 PolarHBondContact O-N 3.04Å; K395-E653 IonicContact NZ-OE1 3.77Å; K395-E653 PolarHBondContact NZ-OE1 2.99Å; K395-E653 IonicContact NZ-OE2 3.89Å; K395-E653 PolarHBondContact NZ-OE2 3.43Å; K395-V679 HydrophobicContact CB-CB 4.11Å; K395-V679 HydrophobicContact CB-CG2 4.29Å; K395-V679 WeakPolarHBondContact CB-O 3.34Å; K395-V679 HydrophobicContact CD-CG2 4.21Å; K395-S680 WeakPolarHBondContact CE-OG 3.42Å; K395-S680 PolarHBondContact NZ-OG 3.47Å
396	I	90.1	Very high	91.5	Very high	16 Å²	16	29 Å²	29	8%	0.082	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-42.4	179.4	-67.7	-179.2	0	0	0	110.8	H394 M398 V399 M400 C430 Y638 Q641 F675 V679	H394-I396 VanDerWaalsContact C-N 3.31Å; H394-I396 PolarHBondContact O-N 3.22Å; H394-I396 VanDerWaalsContact O-N 3.11Å; I396-M398 VanDerWaalsContact C-N 3.32Å; I396-V399 PolarHBondContact O-N 3.24Å; I396-M400 HydrophobicContact CG2-SD 4.09Å; I396-M400 WeakPolarHBondContact O-CG 3.43Å; I396-M400 PolarHBondContact O-N 2.99Å; I396-C430 HydrophobicContact CG2-CB 4.33Å; I396-Y638 HydrophobicContact CD1-CD1 3.85Å; I396-Y638 HydrophobicContact CD1-CE1 4.18Å; I396-Y638 HydrophobicContact CG1-CD1 4.36Å; I396-Y638 HydrophobicContact CG1-CE1 4.19Å; I396-Q641 HydrophobicContact CD1-CB 4.05Å; I396-Q641 HydrophobicContact CD1-CG 3.41Å; I396-Q641 VanDerWaalsContact CD1-CG 3.41Å; I396-F675 HydrophobicContact CD1-CE2 4.18Å; I396-F675 HydrophobicContact CD1-CZ 4.21Å; I396-F675 HydrophobicContact CG1-CZ 4.48Å; I396-V679 HydrophobicContact CG1-CG1 4.26Å
397	L	93	Very high	91.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-38.1	178.5	-58.3	-176.4	0	0	0	110.9	L391 H394 M400 C401 L410 P427 L433	L391-L397 HydrophobicContact CD2-CB 3.8Å; H394-L397 HydrophobicContact CB-CB 4.38Å; H394-L397 HydrophobicContact CB-CD1 3.95Å; H394-L397 HydrophobicContact CB-CG 4.14Å; H394-L397 WeakPolarHBondContact O-CB 3.45Å; H394-L397 PolarHBondContact O-N 2.88Å; L397-M400 HydrophobicContact CD2-SD 4.32Å; L397-M400 PolarHBondContact O-N 3.23Å; L397-C401 PolarHBondContact O-N 3.42Å; L397-C401 PolarHBondContact O-SG 2.74Å; L397-L410 HydrophobicContact CB-CD1 3.92Å; L397-L410 HydrophobicContact CD1-CD1 4.36Å; L397-L410 HydrophobicContact CD2-CD1 4.33Å; L397-L410 HydrophobicContact CG-CD1 4.43Å; L397-P427 VanDerWaalsContact CD1-O 3.27Å; L397-P427 WeakPolarHBondContact CD1-O 3.35Å; L397-L433 HydrophobicContact CD2-CD2 4.47Å
398	M	91.4	Very high	91.3	Very high	19 Å²	19	23 Å²	23	9%	0.094	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-48.1	171.8	-177.1	62.8	80.9	0	0	111.6	I370 W388 L391 E392 H394 K395 I396 M400 C401 Y402	I370-M398 HydrophobicContact CD1-SD 3.77Å; W388-M398 HydrophobicContact CE3-CE 4.38Å; W388-M398 HydrophobicContact CH2-CE 3.81Å; W388-M398 HydrophobicContact CZ2-CE 4.31Å; W388-M398 HydrophobicContact CZ3-CE 3.84Å; W388-M398 HydrophobicContact CZ3-SD 4.38Å; L391-M398 HydrophobicContact CB-CE 3.58Å; L391-M398 HydrophobicContact CB-SD 4.31Å; E392-M398 HydrophobicContact CG-CE 4.24Å; H394-M398 PolarHBondContact O-N 3.44Å; K395-M398 WeakPolarHBondContact O-CB 3.28Å; K395-M398 PolarHBondContact O-N 2.9Å; I396-M398 VanDerWaalsContact C-N 3.32Å; M398-M400 VanDerWaalsContact C-N 3.27Å; M398-M400 PolarHBondContact O-N 3.15Å; M398-C401 PolarHBondContact O-N 2.91Å; M398-C401 VanDerWaalsContact O-N 3.07Å; M398-Y402 HydrophobicContact CG-CE1 4.36Å; M398-Y402 PolarHBondContact O-N 3.26Å; M398-Y402 HydrophobicContact SD-CE1 4.45Å
399	V	89.6	Confident	91.2	Very high	11 Å²	11	21.3 Å²	21.3	7%	0.067	12%	0.124	C	C	.	.	H	α-helix	trans	-57.4	-41.4	177.2	164.8	0	0	0	0	111.8	K395 I396 Y402	K395-V399 WeakPolarHBondContact O-CG2 3.49Å; K395-V399 PolarHBondContact O-N 3.04Å; I396-V399 PolarHBondContact O-N 3.24Å; V399-Y402 HydrophobicContact CB-CE2 4.46Å; V399-Y402 HydrophobicContact CG2-CE2 4.21Å; V399-Y402 WeakPolarHBondContact O-CB 3.46Å; V399-Y402 VanDerWaalsContact O-CD2 3.27Å; V399-Y402 WeakPolarHBondContact O-CD2 3.37Å; V399-Y402 PolarHBondContact O-N 3.38Å
400	M	90.8	Very high	91.2	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.015	10%	0.104	C	C	.	.	H	α-helix	trans	-66.4	-36.1	176.8	-71.2	171.9	63.8	0	0	112.7	L181 I396 L397 M398 Y402 I403 I406 C430 L433 Y434	L181-M400 HydrophobicContact CD2-CG 4Å; I396-M400 HydrophobicContact CG2-SD 4.09Å; I396-M400 WeakPolarHBondContact O-CG 3.43Å; I396-M400 PolarHBondContact O-N 2.99Å; L397-M400 HydrophobicContact CD2-SD 4.32Å; L397-M400 PolarHBondContact O-N 3.23Å; M398-M400 VanDerWaalsContact C-N 3.27Å; M398-M400 PolarHBondContact O-N 3.15Å; M400-Y402 PolarHBondContact O-N 3.03Å; M400-I403 WeakPolarHBondContact O-CB 3.48Å; M400-I403 PolarHBondContact O-N 3.32Å; M400-I406 HydrophobicContact CB-CG2 3.87Å; M400-I406 HydrophobicContact CE-CG2 3.7Å; M400-C430 HydrophobicContact CE-CB 4.22Å; M400-C430 WeakPolarHBondContact CE-SG 3.4Å; M400-C430 HydrophobicContact SD-CB 3.64Å; M400-C430 PolarHBondContact SD-SG 3.41Å; M400-L433 HydrophobicContact CE-CD2 4.07Å; M400-Y434 HydrophobicContact CE-CE2 3.7Å
401	C	92.1	Very high	91	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.3	-11.5	179.8	-72.9	0	0	0	0	114.2	I370 L391 L397 M398 I403 C407	I370-C401 HydrophobicContact CD1-CB 3.7Å; I370-C401 HydrophobicContact CG1-CB 4.36Å; L391-C401 HydrophobicContact CD1-CB 4.5Å; L391-C401 VanDerWaalsContact CD2-SG 3.57Å; L397-C401 PolarHBondContact O-N 3.42Å; L397-C401 PolarHBondContact O-SG 2.74Å; M398-C401 PolarHBondContact O-N 2.91Å; M398-C401 VanDerWaalsContact O-N 3.07Å; C401-I403 PolarHBondContact O-N 2.91Å; C401-C407 HydrophobicContact CB-CB 4.06Å; C401-C407 WeakPolarHBondContact O-CB 3.17Å
402	Y	90.8	Very high	90.8	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.027	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.2	166.7	-58.6	-35.2	0	0	0	112.2	V184 R188 G364 F365 P367 I370 M398 V399 M400 P404	V184-Y402 HydrophobicContact CG1-CD2 4.39Å; V184-Y402 HydrophobicContact CG1-CG 4.28Å; R188-Y402 VanDerWaalsContact CA-CE2 3.47Å; R188-Y402 HydrophobicContact CB-CE2 3.94Å; R188-Y402 HydrophobicContact CG-CE2 4.15Å; G364-Y402 CarbonylContact C-O 3.29Å; G364-Y402 VanDerWaalsContact CA-O 3.26Å; G364-Y402 WeakPolarHBondContact CA-O 3.26Å; F365-Y402 PolarHBondContact N-O 3.5Å; F365-Y402 WeakPolarHBondContact O-CD1 3.12Å; P367-Y402 HydrophobicContact CG-CE1 4.23Å; I370-Y402 HydrophobicContact CD1-CD1 3.79Å; I370-Y402 HydrophobicContact CD1-CE1 4.06Å; M398-Y402 HydrophobicContact CG-CE1 4.36Å; M398-Y402 PolarHBondContact O-N 3.26Å; M398-Y402 HydrophobicContact SD-CE1 4.45Å; V399-Y402 HydrophobicContact CB-CE2 4.46Å; V399-Y402 HydrophobicContact CG2-CE2 4.21Å; V399-Y402 WeakPolarHBondContact O-CB 3.46Å; V399-Y402 VanDerWaalsContact O-CD2 3.27Å; V399-Y402 WeakPolarHBondContact O-CD2 3.37Å; V399-Y402 PolarHBondContact O-N 3.38Å; M400-Y402 PolarHBondContact O-N 3.03Å; Y402-P404 WeakPolarHBondContact O-CD 3.26Å
403	I	90.9	Very high	90.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-91.9	115.9	168.4	-57.9	-176.3	0	0	0	108.9	L181 V184 V222 A223 M400 C401 C405 I406 C407	L181-I403 HydrophobicContact CD2-CD1 3.82Å; V184-I403 HydrophobicContact CB-CG1 4.23Å; V184-I403 HydrophobicContact CG1-CG1 4.24Å; V184-I403 HydrophobicContact CG2-CD1 4.15Å; V184-I403 HydrophobicContact CG2-CG1 3.93Å; V222-I403 HydrophobicContact CG2-CD1 3.85Å; V222-I403 HydrophobicContact CG2-CG1 4.13Å; A223-I403 WeakPolarHBondContact O-CG2 3.29Å; M400-I403 WeakPolarHBondContact O-CB 3.48Å; M400-I403 PolarHBondContact O-N 3.32Å; C401-I403 PolarHBondContact O-N 2.91Å; I403-C405 VanDerWaalsContact C-N 3.35Å; I403-C405 HydrophobicContact CG2-CB 4.49Å; I403-C405 PolarHBondContact O-N 2.86Å; I403-I406 HydrophobicContact CB-CB 4.32Å; I403-I406 HydrophobicContact CB-CD1 4.08Å; I403-I406 HydrophobicContact CB-CG1 4.13Å; I403-I406 HydrophobicContact CD1-CD1 3.96Å; I403-I406 HydrophobicContact CG2-CD1 4.26Å; I403-I406 HydrophobicContact CG2-CG1 4.05Å; I403-I406 PolarHBondContact O-N 3.29Å; I403-C407 PolarHBondContact O-N 3.23Å
404	P	89.4	Confident	90.8	Very high	14 Å²	14	11.5 Å²	11.5	9%	0.091	6%	0.058	C	C	.	.	H	α-helix	trans	-48.3	-47.6	-179.3	-29.9	33.5	0	0	0	115.1	F365 Y402 I406 C407 W408	F365-P404 HydrophobicContact CD1-CG 3.88Å; F365-P404 HydrophobicContact CD2-CG 4.47Å; F365-P404 HydrophobicContact CE1-CB 3.88Å; F365-P404 HydrophobicContact CE1-CG 3.46Å; F365-P404 VanDerWaalsContact CE1-CG 3.46Å; F365-P404 HydrophobicContact CE2-CB 3.86Å; F365-P404 HydrophobicContact CE2-CG 4.11Å; F365-P404 HydrophobicContact CG-CG 4.33Å; F365-P404 HydrophobicContact CZ-CB 3.38Å; F365-P404 HydrophobicContact CZ-CG 3.53Å; Y402-P404 WeakPolarHBondContact O-CD 3.26Å; P404-I406 VanDerWaalsContact C-N 3.31Å; P404-I406 PolarHBondContact O-N 3.19Å; P404-C407 WeakPolarHBondContact O-CB 3.37Å; P404-C407 PolarHBondContact O-N 2.91Å; P404-W408 PolarHBondContact O-N 3.47Å
405	C	88.5	Confident	90.7	Very high	27 Å²	27	11 Å²	11	18%	0.182	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-40.9	-179.7	-172.5	0	0	0	0	111.9	G224 I403 W408 M409	G224-C405 WeakPolarHBondContact O-CB 3.47Å; G224-C405 PolarHBondContact O-N 2.88Å; I403-C405 VanDerWaalsContact C-N 3.35Å; I403-C405 HydrophobicContact CG2-CB 4.49Å; I403-C405 PolarHBondContact O-N 2.86Å; C405-W408 PolarHBondContact O-N 3.05Å; C405-M409 WeakPolarHBondContact O-CG 3.42Å; C405-M409 PolarHBondContact O-N 2.78Å
406	I	91.4	Very high	90.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-75	-37.1	-179.9	-56.2	179.4	0	0	0	110.7	L181 M400 I403 P404 W408 M409 L410 T525	L181-I406 HydrophobicContact CD2-CD1 3.68Å; M400-I406 HydrophobicContact CB-CG2 3.87Å; M400-I406 HydrophobicContact CE-CG2 3.7Å; I403-I406 HydrophobicContact CB-CB 4.32Å; I403-I406 HydrophobicContact CB-CD1 4.08Å; I403-I406 HydrophobicContact CB-CG1 4.13Å; I403-I406 HydrophobicContact CD1-CD1 3.96Å; I403-I406 HydrophobicContact CG2-CD1 4.26Å; I403-I406 HydrophobicContact CG2-CG1 4.05Å; I403-I406 PolarHBondContact O-N 3.29Å; P404-I406 VanDerWaalsContact C-N 3.31Å; P404-I406 PolarHBondContact O-N 3.19Å; I406-W408 VanDerWaalsContact C-N 3.27Å; I406-W408 PolarHBondContact O-N 3.44Å; I406-M409 PolarHBondContact O-N 2.94Å; I406-L410 WeakPolarHBondContact O-CB 3.17Å; I406-L410 PolarHBondContact O-N 3.41Å; I406-T525 HydrophobicContact CD1-CG2 4.22Å
407	C	91.6	Very high	90.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.6	-43.6	173.1	-166.5	0	0	0	0	111.4	F365 F373 C401 I403 P404 L410 A411	F365-C407 HydrophobicContact CD2-CB 4.24Å; F365-C407 HydrophobicContact CE2-CB 4.18Å; F373-C407 HydrophobicContact CD1-CB 4.46Å; F373-C407 WeakPolarHBondContact CD1-SG 3.31Å; F373-C407 HydrophobicContact CE1-CB 4.33Å; C401-C407 HydrophobicContact CB-CB 4.06Å; C401-C407 WeakPolarHBondContact O-CB 3.17Å; I403-C407 PolarHBondContact O-N 3.23Å; P404-C407 WeakPolarHBondContact O-CB 3.37Å; P404-C407 PolarHBondContact O-N 2.91Å; C407-L410 PolarHBondContact O-N 3.28Å; C407-A411 VanDerWaalsContact O-CB 3.31Å; C407-A411 WeakPolarHBondContact O-CB 3.49Å; C407-A411 PolarHBondContact O-N 3.22Å
408	W	89.8	Confident	90.3	Very high	9 Å²	9	12.7 Å²	12.7	3%	0.034	6%	0.063	C	C	.	.	H	α-helix	trans	-63.9	-48.7	173.3	170.3	80.4	0	0	0	112.6	V153 C155 F373 H377 P404 C405 I406 L410 A411 E412 T522	V153-W408 HydrophobicContact CG1-CH2 3.92Å; V153-W408 VanDerWaalsContact O-CH2 3.26Å; V153-W408 WeakPolarHBondContact O-CH2 3.45Å; V153-W408 WeakPolarHBondContact O-CZ3 3.35Å; C155-W408 HydrophobicContact CB-CB 4.46Å; F373-W408 HydrophobicContact CZ-CB 3.9Å; H377-W408 AromaticContact CE1-CD1 3.72Å; H377-W408 AromaticContact CE1-NE1 3.94Å; P404-W408 PolarHBondContact O-N 3.47Å; C405-W408 PolarHBondContact O-N 3.05Å; I406-W408 VanDerWaalsContact C-N 3.27Å; I406-W408 PolarHBondContact O-N 3.44Å; W408-L410 PolarHBondContact O-N 2.97Å; W408-A411 PolarHBondContact O-N 2.83Å; W408-E412 HydrophobicContact CD2-CG 4.28Å; W408-E412 HydrophobicContact CZ2-CG 3.95Å; W408-E412 WeakPolarHBondContact O-CG 3.49Å; W408-E412 PolarHBondContact O-N 2.82Å; W408-T522 HydrophobicContact CZ3-CG2 4.3Å
409	M	89.9	Confident	90	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-57	-41	177.5	-71.8	178.1	65.3	0	0	111.7	C405 I406 T413 Y434 F437 T522 H523	C405-M409 WeakPolarHBondContact O-CG 3.42Å; C405-M409 PolarHBondContact O-N 2.78Å; I406-M409 PolarHBondContact O-N 2.94Å; M409-T413 WeakPolarHBondContact O-CB 3.44Å; M409-T413 PolarHBondContact O-N 3.04Å; M409-T413 PolarHBondContact O-OG1 3.48Å; M409-Y434 HydrophobicContact CE-CD1 4.1Å; M409-Y434 HydrophobicContact CE-CE1 3.54Å; M409-F437 HydrophobicContact CB-CD2 4.38Å; M409-F437 HydrophobicContact CB-CE2 4.3Å; M409-F437 HydrophobicContact CE-CD1 3.79Å; M409-F437 HydrophobicContact CE-CD2 3.93Å; M409-F437 HydrophobicContact CE-CE1 3.69Å; M409-F437 HydrophobicContact CE-CE2 3.83Å; M409-F437 HydrophobicContact CE-CG 3.92Å; M409-F437 HydrophobicContact CE-CZ 3.71Å; M409-F437 HydrophobicContact CG-CE2 4.09Å; M409-F437 HydrophobicContact CG-CZ 4.49Å; M409-T522 HydrophobicContact SD-CG2 4.44Å; M409-H523 HydrophobicContact SD-CB 4.13Å
410	L	93.5	Very high	89.4	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.6	-49.6	176.6	-178.4	147.2	0	0	0	111.5	I387 L391 L397 I406 C407 W408 E412 T413 L414 L433	I387-L410 HydrophobicContact CG2-CD2 4.08Å; L391-L410 HydrophobicContact CD2-CD1 3.75Å; L391-L410 HydrophobicContact CD2-CD2 3.91Å; L391-L410 HydrophobicContact CG-CD2 4.42Å; L397-L410 HydrophobicContact CB-CD1 3.92Å; L397-L410 HydrophobicContact CD1-CD1 4.36Å; L397-L410 HydrophobicContact CD2-CD1 4.33Å; L397-L410 HydrophobicContact CG-CD1 4.43Å; I406-L410 WeakPolarHBondContact O-CB 3.17Å; I406-L410 PolarHBondContact O-N 3.41Å; C407-L410 PolarHBondContact O-N 3.28Å; W408-L410 PolarHBondContact O-N 2.97Å; L410-E412 VanDerWaalsContact C-N 3.33Å; L410-E412 PolarHBondContact O-N 2.89Å; L410-T413 PolarHBondContact O-N 3.19Å; L410-L414 HydrophobicContact CD2-CD1 3.44Å; L410-L414 VanDerWaalsContact CD2-CD1 3.44Å; L410-L414 HydrophobicContact CD2-CG 4.06Å; L410-L414 HydrophobicContact CG-CD1 4.02Å; L410-L414 HydrophobicContact CG-CG 4.24Å; L410-L414 WeakPolarHBondContact O-CG 3.44Å; L410-L414 PolarHBondContact O-N 3.38Å; L410-L433 HydrophobicContact CB-CD1 4.19Å; L410-L433 HydrophobicContact CB-CD2 4.1Å; L410-L433 HydrophobicContact CD1-CD1 4.39Å; L410-L433 HydrophobicContact CD1-CD2 4.02Å; L410-L433 HydrophobicContact CG-CD1 4.1Å; L410-L433 HydrophobicContact CG-CD2 4.35Å
411	A	91.2	Very high	88.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.2	-47.5	178.7	0	0	0	0	0	111.7	F373 L374 F378 C407 W408 L415	F373-A411 HydrophobicContact CE1-CB 4.14Å; L374-A411 HydrophobicContact CD2-CB 4.19Å; F378-A411 HydrophobicContact CE2-CB 4.34Å; F378-A411 HydrophobicContact CZ-CB 3.76Å; C407-A411 VanDerWaalsContact O-CB 3.31Å; C407-A411 WeakPolarHBondContact O-CB 3.49Å; C407-A411 PolarHBondContact O-N 3.22Å; W408-A411 PolarHBondContact O-N 2.83Å; A411-L415 VanDerWaalsContact O-CB 3.28Å; A411-L415 WeakPolarHBondContact O-CB 3.02Å; A411-L415 PolarHBondContact O-N 2.67Å
412	E	88.3	Confident	86.7	Confident	52 Å²	52	25 Å²	25	24%	0.243	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-43.3	177.1	-71.6	-67	114.3	0	0	112.6	H377 W408 L410 L415 Y416 M440	H377-E412 IonicContact CD2-OE1 3.88Å; H377-E412 IonicContact CE1-OE1 2.79Å; H377-E412 PolarHBondContact CE1-OE1 3.1Å; H377-E412 IonicContact NE2-OE1 3.47Å; H377-E412 PolarHBondContact NE2-OE1 2.89Å; W408-E412 HydrophobicContact CD2-CG 4.28Å; W408-E412 HydrophobicContact CZ2-CG 3.95Å; W408-E412 WeakPolarHBondContact O-CG 3.49Å; W408-E412 PolarHBondContact O-N 2.82Å; L410-E412 VanDerWaalsContact C-N 3.33Å; L410-E412 PolarHBondContact O-N 2.89Å; E412-L415 PolarHBondContact O-N 3.4Å; E412-Y416 PolarHBondContact O-N 3.02Å; E412-M440 HydrophobicContact CB-CE 4.25Å
413	T	91.4	Very high	85.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-44.9	-179	-54.7	0	0	0	0	111.5	M409 L410 Y416 I417 L433 H436 F437	M409-T413 WeakPolarHBondContact O-CB 3.44Å; M409-T413 PolarHBondContact O-N 3.04Å; M409-T413 PolarHBondContact O-OG1 3.48Å; L410-T413 PolarHBondContact O-N 3.19Å; T413-Y416 PolarHBondContact O-N 3.33Å; T413-I417 HydrophobicContact CG2-CD1 4.2Å; T413-I417 WeakPolarHBondContact O-CG1 3.33Å; T413-I417 PolarHBondContact O-N 3.45Å; T413-L433 HydrophobicContact CG2-CD1 4Å; T413-H436 HydrophobicContact CG2-CB 3.63Å; T413-F437 HydrophobicContact CG2-CB 4.46Å; T413-F437 WeakPolarHBondContact OG1-CD2 3.49Å
414	L	91.9	Very high	84.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-39.9	178.4	-63.5	-173.3	0	0	0	111.3	I387 L410 Y416 I417 M418 L426 P427	I387-L414 HydrophobicContact CB-CD1 4.43Å; I387-L414 HydrophobicContact CD1-CB 4.05Å; I387-L414 HydrophobicContact CG1-CB 4.04Å; I387-L414 HydrophobicContact CG1-CD1 3.99Å; I387-L414 HydrophobicContact CG2-CD1 3.94Å; L410-L414 HydrophobicContact CD2-CD1 3.44Å; L410-L414 VanDerWaalsContact CD2-CD1 3.44Å; L410-L414 HydrophobicContact CD2-CG 4.06Å; L410-L414 HydrophobicContact CG-CD1 4.02Å; L410-L414 HydrophobicContact CG-CG 4.24Å; L410-L414 WeakPolarHBondContact O-CG 3.44Å; L410-L414 PolarHBondContact O-N 3.38Å; L414-Y416 VanDerWaalsContact C-N 3.31Å; L414-Y416 PolarHBondContact O-N 2.99Å; L414-I417 PolarHBondContact O-N 2.85Å; L414-M418 WeakPolarHBondContact O-CB 3.32Å; L414-M418 WeakPolarHBondContact O-CG 3.39Å; L414-M418 PolarHBondContact O-N 3.38Å; L414-L426 HydrophobicContact CD2-CB 4.28Å; L414-L426 HydrophobicContact CD2-CD2 4.11Å; L414-P427 VanDerWaalsContact CD2-CD 3.48Å; L414-P427 HydrophobicContact CD2-CG 3.54Å
415	L	88.6	Confident	84	Confident	28 Å²	28	40.6 Å²	40.6	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-57.1	-46.9	174.8	-178.3	66.5	0	0	0	111.1	F378 F383 A411 E412 I417 M418 Q419	F378-L415 HydrophobicContact CD1-CD1 4.19Å; F378-L415 HydrophobicContact CD1-CD2 4.26Å; F378-L415 HydrophobicContact CE1-CB 3.97Å; F378-L415 HydrophobicContact CE1-CD1 4.02Å; F378-L415 HydrophobicContact CE1-CD2 3.92Å; F378-L415 HydrophobicContact CE1-CG 4.18Å; F383-L415 HydrophobicContact CD1-CD1 3.99Å; F383-L415 HydrophobicContact CD2-CD1 4.12Å; F383-L415 HydrophobicContact CE1-CD1 4.21Å; F383-L415 HydrophobicContact CE2-CD1 4.32Å; F383-L415 HydrophobicContact CG-CD1 3.97Å; F383-L415 HydrophobicContact CZ-CD1 4.38Å; A411-L415 VanDerWaalsContact O-CB 3.28Å; A411-L415 WeakPolarHBondContact O-CB 3.02Å; A411-L415 PolarHBondContact O-N 2.67Å; E412-L415 PolarHBondContact O-N 3.4Å; L415-I417 PolarHBondContact O-N 2.95Å; L415-M418 PolarHBondContact O-N 2.92Å; L415-Q419 HydrophobicContact CD1-CG 4.13Å; L415-Q419 HydrophobicContact CG-CG 4.38Å; L415-Q419 WeakPolarHBondContact O-CB 3.36Å; L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.37Å; L415-Q419 PolarHBondContact O-N 2.95Å
416	Y	87.3	Confident	84.2	Confident	45 Å²	45	41.1 Å²	41.1	18%	0.176	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-50	177.8	177	-103.9	0	0	0	112.4	E412 T413 L414 M418 Q419 S420 M440 E443 V444	E412-Y416 PolarHBondContact O-N 3.02Å; T413-Y416 PolarHBondContact O-N 3.33Å; L414-Y416 VanDerWaalsContact C-N 3.31Å; L414-Y416 PolarHBondContact O-N 2.99Å; Y416-M418 VanDerWaalsContact C-N 3.32Å; Y416-M418 PolarHBondContact O-N 3.49Å; Y416-Q419 PolarHBondContact O-N 3.3Å; Y416-S420 WeakPolarHBondContact O-CB 3.38Å; Y416-S420 PolarHBondContact O-N 3.4Å; Y416-S420 PolarHBondContact O-OG 3.45Å; Y416-M440 HydrophobicContact CD1-CB 3.59Å; Y416-M440 HydrophobicContact CD1-CG 3.47Å; Y416-M440 VanDerWaalsContact CD1-CG 3.47Å; Y416-M440 HydrophobicContact CD2-CG 3.66Å; Y416-M440 HydrophobicContact CE1-CB 3.83Å; Y416-M440 HydrophobicContact CE1-CG 3.95Å; Y416-M440 HydrophobicContact CE2-CG 4.13Å; Y416-M440 HydrophobicContact CG-CB 4Å; Y416-M440 HydrophobicContact CG-CG 3.3Å; Y416-E443 WeakPolarHBondContact OH-CB 3.31Å; Y416-E443 PolarHBondContact OH-OE2 3.38Å; Y416-V444 HydrophobicContact CD2-CG2 3.88Å; Y416-V444 HydrophobicContact CE2-CG2 3.63Å
417	I	89.3	Confident	84.3	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-39.9	-179.3	-62.6	165.9	0	0	0	111	T413 L414 L415 Q419 S420 L426 P427 H436	T413-I417 HydrophobicContact CG2-CD1 4.2Å; T413-I417 WeakPolarHBondContact O-CG1 3.33Å; T413-I417 PolarHBondContact O-N 3.45Å; L414-I417 PolarHBondContact O-N 2.85Å; L415-I417 PolarHBondContact O-N 2.95Å; I417-Q419 VanDerWaalsContact C-N 3.33Å; I417-Q419 PolarHBondContact O-N 3.42Å; I417-S420 PolarHBondContact O-OG 3.19Å; I417-L426 HydrophobicContact CB-CD2 4.29Å; I417-L426 HydrophobicContact CG2-CD2 3.93Å; I417-P427 HydrophobicContact CD1-CG 4.3Å; I417-H436 HydrophobicContact CD1-CB 4Å
418	M	88.2	Confident	84.3	Confident	45 Å²	45	45.9 Å²	45.9	22%	0.222	25%	0.25	C	C	.	.	H	α-helix	trans	-70.1	-31.5	179.6	-66.9	172.3	75.1	0	0	112.2	F383 R386 I387 L414 L415 Y416 L426	F383-M418 HydrophobicContact CD1-CB 4.26Å; F383-M418 HydrophobicContact CD1-CE 3.53Å; F383-M418 HydrophobicContact CD1-SD 3.98Å; F383-M418 HydrophobicContact CE1-CB 3.88Å; F383-M418 HydrophobicContact CE1-CE 3.97Å; R386-M418 HydrophobicContact CB-CE 3.75Å; R386-M418 HydrophobicContact CG-CE 4.24Å; I387-M418 HydrophobicContact CG1-SD 4.2Å; L414-M418 WeakPolarHBondContact O-CB 3.32Å; L414-M418 WeakPolarHBondContact O-CG 3.39Å; L414-M418 PolarHBondContact O-N 3.38Å; L415-M418 PolarHBondContact O-N 2.92Å; Y416-M418 VanDerWaalsContact C-N 3.32Å; Y416-M418 PolarHBondContact O-N 3.49Å; M418-L426 HydrophobicContact CG-CD2 3.92Å
419	Q	85.4	Confident	84.5	Confident	116 Å²	116	45.5 Å²	45.5	54%	0.542	25%	0.248	S	C	.	.	H	α-helix	trans	-84.1	-25.8	178.7	-73.2	-179.1	-16.2	0	0	113.9	F383 L415 Y416 I417 G421	F383-Q419 HydrophobicContact CZ-CG 4.35Å; L415-Q419 HydrophobicContact CD1-CG 4.13Å; L415-Q419 HydrophobicContact CG-CG 4.38Å; L415-Q419 WeakPolarHBondContact O-CB 3.36Å; L415-Q419 VanDerWaalsContact O-CG 3.31Å; L415-Q419 WeakPolarHBondContact O-CG 3.37Å; L415-Q419 PolarHBondContact O-N 2.95Å; Y416-Q419 PolarHBondContact O-N 3.3Å; I417-Q419 VanDerWaalsContact C-N 3.33Å; I417-Q419 PolarHBondContact O-N 3.42Å; Q419-G421 PolarHBondContact O-N 2.82Å
420	S	77.6	Confident	84.7	Confident	39 Å²	39	45.6 Å²	45.6	27%	0.273	25%	0.249	S	C	.	.	S	Bend	trans	-68	-11.1	-179.8	53.6	0	0	0	0	113.6	Y416 I417 T422	Y416-S420 WeakPolarHBondContact O-CB 3.38Å; Y416-S420 PolarHBondContact O-N 3.4Å; Y416-S420 PolarHBondContact O-OG 3.45Å; I417-S420 PolarHBondContact O-OG 3.19Å; S420-T422 PolarHBondContact O-N 3.03Å; S420-T422 PolarHBondContact OG-OG1 3.2Å
421	G	63.8	Low	84.8	Confident	71 Å²	71	45.6 Å²	45.6	73%	0.732	25%	0.249	S	C	*	.			trans	64.6	9.2	179.4	0	0	0	0	0	113.7	Q419	Q419-G421 PolarHBondContact O-N 2.82Å
422	T	61.7	Low	85	Confident	64 Å²	64	46 Å²	46	39%	0.393	25%	0.251	S	S	.	.			trans	-70.5	136	175.3	47.2	0	0	0	0	108.3	S420 E424	S420-T422 PolarHBondContact O-N 3.03Å; S420-T422 PolarHBondContact OG-OG1 3.2Å; T422-E424 PolarHBondContact O-N 3.03Å
423	Q	62	Low	85.3	Confident	209 Å²	209	43.6 Å²	43.6	98%	0.977	24%	0.24	S	C	*	.			trans	-68.9	28	172.3	-70	-168.6	-11.3	0	0	112.5
424	E	69	Low	85.5	Confident	64 Å²	64	43.7 Å²	43.7	30%	0.299	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-78.4	133.9	-178.6	-71.3	-168.8	156.3	0	0	110.8	T422 H436 K595	T422-E424 PolarHBondContact O-N 3.03Å; E424-H436 IonicContact OE2-CE1 3.54Å; E424-K595 IonicContact OE1-NZ 2.75Å; E424-K595 PolarHBondContact OE1-NZ 3.11Å
425	S	84.2	Confident	85.6	Confident	76 Å²	76	43.7 Å²	43.7	53%	0.531	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-68	137.7	174.1	57.4	0	0	0	0	110.2
426	L	91.4	Very high	85.9	Confident	39 Å²	39	43.2 Å²	43.2	20%	0.204	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-57.7	142.7	173.7	-59.7	177.5	0	0	0	111.1	H390 L414 I417 M418 K428	H390-L426 HydrophobicContact CB-CD1 4.37Å; L414-L426 HydrophobicContact CD2-CB 4.28Å; L414-L426 HydrophobicContact CD2-CD2 4.11Å; I417-L426 HydrophobicContact CB-CD2 4.29Å; I417-L426 HydrophobicContact CG2-CD2 3.93Å; M418-L426 HydrophobicContact CG-CD2 3.92Å; L426-K428 PolarHBondContact O-N 3.11Å
427	P	93.5	Very high	86.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-59.9	133.3	-178.9	23.9	-34.9	0	0	0	110.9	H390 L397 L414 I417 E432 L433	H390-P427 PolarHBondContact CE1-O 3.37Å; H390-P427 PolarHBondContact NE2-O 3.01Å; L397-P427 VanDerWaalsContact CD1-O 3.27Å; L397-P427 WeakPolarHBondContact CD1-O 3.35Å; L414-P427 VanDerWaalsContact CD2-CD 3.48Å; L414-P427 HydrophobicContact CD2-CG 3.54Å; I417-P427 HydrophobicContact CD1-CG 4.3Å; P427-E432 HydrophobicContact CB-CB 3.65Å; P427-L433 HydrophobicContact CB-CB 4.35Å; P427-L433 HydrophobicContact CG-CD1 4.22Å
428	K	92.4	Very high	86.2	Confident	100 Å²	100	40.9 Å²	40.9	44%	0.435	23%	0.228	S	C	.	.			trans	-105.2	-20.9	-176.1	-58.1	-173.7	-177.4	173.5	0	112.9	H394 L426 E432	H394-K428 WeakPolarHBondContact NE2-CG 3.45Å; L426-K428 PolarHBondContact O-N 3.11Å; K428-E432 PolarHBondContact N-OE2 3.34Å
429	T	93.4	Very high	86.3	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.221	C	C	.	.	S	Bend	trans	-118.4	166	-178.4	82.6	0	0	0	0	111.6	T431 E432 L433 E642 Q644	T429-T431 VanDerWaalsContact C-N 3.33Å; T429-T431 PolarHBondContact OG1-N 3.12Å; T429-E432 PolarHBondContact O-N 2.93Å; T429-E432 PolarHBondContact OG1-N 2.69Å; T429-L433 PolarHBondContact O-N 2.94Å; T429-E642 WeakPolarHBondContact CB-OE2 3.29Å; T429-E642 PolarHBondContact OG1-OE2 3.27Å; T429-Q644 HydrophobicContact CG2-CG 4.26Å
430	C	93.9	Very high	86.5	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-44.4	177.5	-179.5	0	0	0	0	110.1	I396 M400 E432 L433 Y434 F584 E642	I396-C430 HydrophobicContact CG2-CB 4.33Å; M400-C430 HydrophobicContact CE-CB 4.22Å; M400-C430 WeakPolarHBondContact CE-SG 3.4Å; M400-C430 HydrophobicContact SD-CB 3.64Å; M400-C430 PolarHBondContact SD-SG 3.41Å; C430-E432 PolarHBondContact O-N 3.42Å; C430-L433 WeakPolarHBondContact O-CB 3.42Å; C430-L433 PolarHBondContact O-N 3.47Å; C430-Y434 VanDerWaalsContact O-CD2 3.28Å; C430-Y434 WeakPolarHBondContact O-CD2 3.4Å; C430-Y434 PolarHBondContact O-N 3.13Å; C430-F584 HydrophobicContact CB-CE1 4.37Å; C430-F584 WeakPolarHBondContact SG-CE1 3.28Å; C430-E642 VanDerWaalsContact CB-OE1 3.22Å; C430-E642 WeakPolarHBondContact CB-OE1 3.33Å; C430-E642 PolarHBondContact N-OE1 2.95Å
431	T	95.8	Very high	86.9	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-40	-178.2	-43	0	0	0	0	112.4	T429 L433 Y434 A435 F529 F584 L588 T593 E642	T429-T431 VanDerWaalsContact C-N 3.33Å; T429-T431 PolarHBondContact OG1-N 3.12Å; T431-L433 VanDerWaalsContact C-N 3.33Å; T431-L433 PolarHBondContact O-N 3.5Å; T431-Y434 PolarHBondContact O-N 3.23Å; T431-A435 WeakPolarHBondContact O-CB 3.43Å; T431-A435 PolarHBondContact O-N 3.45Å; T431-F529 HydrophobicContact CG2-CD2 4.23Å; T431-F529 HydrophobicContact CG2-CE2 3.81Å; T431-F584 HydrophobicContact CG2-CB 4.47Å; T431-F584 HydrophobicContact CG2-CD1 3.98Å; T431-L588 HydrophobicContact CG2-CD2 4.24Å; T431-L588 HydrophobicContact CG2-CG 4.07Å; T431-T593 HydrophobicContact CG2-CG2 3.49Å; T431-T593 VanDerWaalsContact CG2-CG2 3.49Å; T431-E642 WeakPolarHBondContact CB-OE2 3.33Å; T431-E642 PolarHBondContact N-OE2 2.86Å; T431-E642 PolarHBondContact OG1-OE2 3.29Å
432	E	95.2	Very high	87.9	Confident	7 Å²	7	31.1 Å²	31.1	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-42.6	175.4	-72.8	-179.8	174.9	0	0	111.5	P427 K428 T429 C430 Y434 A435 H436 T592 T593 Q644	P427-E432 HydrophobicContact CB-CB 3.65Å; K428-E432 PolarHBondContact N-OE2 3.34Å; T429-E432 PolarHBondContact O-N 2.93Å; T429-E432 PolarHBondContact OG1-N 2.69Å; C430-E432 PolarHBondContact O-N 3.42Å; E432-Y434 PolarHBondContact O-N 3.28Å; E432-A435 PolarHBondContact O-N 2.92Å; E432-H436 PolarHBondContact O-CD2 3.01Å; E432-H436 VanDerWaalsContact O-CD2 3.23Å; E432-H436 PolarHBondContact O-N 2.53Å; E432-T592 WeakPolarHBondContact OE1-CB 3.35Å; E432-T592 PolarHBondContact OE1-OG1 3.08Å; E432-T593 WeakPolarHBondContact CG-OG1 3.45Å; E432-Q644 PolarHBondContact OE1-NE2 3.41Å
433	L	95.7	Very high	88.7	Confident	2 Å²	2	32 Å²	32	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-49.5	177.8	175.6	69.3	0	0	0	111.8	L397 M400 L410 T413 P427 T429 C430 T431 H436 F437	L397-L433 HydrophobicContact CD2-CD2 4.47Å; M400-L433 HydrophobicContact CE-CD2 4.07Å; L410-L433 HydrophobicContact CB-CD1 4.19Å; L410-L433 HydrophobicContact CB-CD2 4.1Å; L410-L433 HydrophobicContact CD1-CD1 4.39Å; L410-L433 HydrophobicContact CD1-CD2 4.02Å; L410-L433 HydrophobicContact CG-CD1 4.1Å; L410-L433 HydrophobicContact CG-CD2 4.35Å; T413-L433 HydrophobicContact CG2-CD1 4Å; P427-L433 HydrophobicContact CB-CB 4.35Å; P427-L433 HydrophobicContact CG-CD1 4.22Å; T429-L433 PolarHBondContact O-N 2.94Å; C430-L433 WeakPolarHBondContact O-CB 3.42Å; C430-L433 PolarHBondContact O-N 3.47Å; T431-L433 VanDerWaalsContact C-N 3.33Å; T431-L433 PolarHBondContact O-N 3.5Å; L433-H436 PolarHBondContact O-N 3.28Å; L433-F437 WeakPolarHBondContact O-CB 3.29Å; L433-F437 PolarHBondContact O-N 3.18Å
434	Y	95.6	Very high	89	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-32.3	-179.4	-76.3	-85.5	0	0	0	112.8	M400 M409 C430 T431 E432 F437 C438 T525 L526 F529 F584	M400-Y434 HydrophobicContact CE-CE2 3.7Å; M409-Y434 HydrophobicContact CE-CD1 4.1Å; M409-Y434 HydrophobicContact CE-CE1 3.54Å; C430-Y434 VanDerWaalsContact O-CD2 3.28Å; C430-Y434 WeakPolarHBondContact O-CD2 3.4Å; C430-Y434 PolarHBondContact O-N 3.13Å; T431-Y434 PolarHBondContact O-N 3.23Å; E432-Y434 PolarHBondContact O-N 3.28Å; Y434-F437 PolarHBondContact O-N 3.05Å; Y434-C438 PolarHBondContact O-N 3.42Å; Y434-T525 VanDerWaalsContact CZ-OG1 3.29Å; Y434-T525 WeakPolarHBondContact OH-CB 3.29Å; Y434-T525 PolarHBondContact OH-OG1 2.97Å; Y434-L526 HydrophobicContact CD1-CB 4.35Å; Y434-L526 HydrophobicContact CD1-CD1 3.77Å; Y434-L526 HydrophobicContact CE1-CB 4.1Å; Y434-L526 HydrophobicContact CE1-CD1 4.33Å; Y434-F529 VanDerWaalsContact CB-CG 3.49Å; Y434-F529 HydrophobicContact CD1-CB 4.38Å; Y434-F529 HydrophobicContact CG-CB 4.2Å; Y434-F529 HydrophobicContact CG-CD1 4.49Å; Y434-F529 HydrophobicContact CG-CD2 4.4Å; Y434-F529 HydrophobicContact CG-CG 4.11Å; Y434-F584 AromaticContact CD2-CE1 3.57Å; Y434-F584 HydrophobicContact CD2-CE1 3.57Å; Y434-F584 AromaticContact CD2-CZ 3.63Å; Y434-F584 HydrophobicContact CD2-CZ 3.63Å; Y434-F584 HydrophobicContact CE2-CE1 4.11Å; Y434-F584 AromaticContact CE2-CZ 3.78Å; Y434-F584 HydrophobicContact CE2-CZ 3.78Å; Y434-F584 HydrophobicContact CG-CE1 4.28Å; Y434-F584 HydrophobicContact CG-CZ 4.3Å
435	A	94.4	Very high	88.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-48.2	172.4	0	0	0	0	0	111.4	T431 E432 S439 F529 T593 L597	T431-A435 WeakPolarHBondContact O-CB 3.43Å; T431-A435 PolarHBondContact O-N 3.45Å; E432-A435 PolarHBondContact O-N 2.92Å; A435-S439 WeakPolarHBondContact O-CB 3.48Å; A435-S439 PolarHBondContact O-N 3.27Å; A435-S439 VanDerWaalsContact O-N 3.07Å; A435-F529 HydrophobicContact CB-CZ 4.11Å; A435-T593 HydrophobicContact CB-CG2 4.05Å; A435-T593 WeakPolarHBondContact CB-O 3.34Å; A435-L597 HydrophobicContact CB-CD1 3.98Å; A435-L597 HydrophobicContact CB-CD2 4.36Å; A435-L597 HydrophobicContact CB-CG 3.93Å
436	H	93.1	Very high	86.7	Confident	19 Å²	19	27.3 Å²	27.3	9%	0.088	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-38.7	174.7	-80.2	-78.2	0	0	0	112.6	T413 I417 E424 E432 L433 S439 M440 P596	T413-H436 HydrophobicContact CG2-CB 3.63Å; I417-H436 HydrophobicContact CD1-CB 4Å; E424-H436 IonicContact OE2-CE1 3.54Å; E432-H436 PolarHBondContact O-CD2 3.01Å; E432-H436 VanDerWaalsContact O-CD2 3.23Å; E432-H436 PolarHBondContact O-N 2.53Å; L433-H436 PolarHBondContact O-N 3.28Å; H436-S439 PolarHBondContact O-N 3.4Å; H436-M440 VanDerWaalsContact O-CB 3.23Å; H436-M440 WeakPolarHBondContact O-CB 3.34Å; H436-M440 PolarHBondContact O-N 3.1Å; H436-P596 WeakPolarHBondContact CE1-CG 3.47Å; H436-P596 WeakPolarHBondContact NE2-CG 3.28Å
437	F	93	Very high	84.1	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-48.4	176.6	178.1	-94.2	0	0	0	111.7	M409 T413 L433 Y434 S439 M440 K441 L526	M409-F437 HydrophobicContact CB-CD2 4.38Å; M409-F437 HydrophobicContact CB-CE2 4.3Å; M409-F437 HydrophobicContact CE-CD1 3.79Å; M409-F437 HydrophobicContact CE-CD2 3.93Å; M409-F437 HydrophobicContact CE-CE1 3.69Å; M409-F437 HydrophobicContact CE-CE2 3.83Å; M409-F437 HydrophobicContact CE-CG 3.92Å; M409-F437 HydrophobicContact CE-CZ 3.71Å; M409-F437 HydrophobicContact CG-CE2 4.09Å; M409-F437 HydrophobicContact CG-CZ 4.49Å; T413-F437 HydrophobicContact CG2-CB 4.46Å; T413-F437 WeakPolarHBondContact OG1-CD2 3.49Å; L433-F437 WeakPolarHBondContact O-CB 3.29Å; L433-F437 PolarHBondContact O-N 3.18Å; Y434-F437 PolarHBondContact O-N 3.05Å; F437-S439 VanDerWaalsContact C-N 3.34Å; F437-S439 PolarHBondContact O-N 3.02Å; F437-M440 HydrophobicContact CD2-CE 4.04Å; F437-M440 HydrophobicContact CE2-CE 4.47Å; F437-M440 PolarHBondContact O-N 3.37Å; F437-K441 HydrophobicContact CD1-CG 4.47Å; F437-K441 HydrophobicContact CE1-CG 4.06Å; F437-K441 HydrophobicContact CE2-CG 4.37Å; F437-K441 HydrophobicContact CZ-CG 4.01Å; F437-K441 WeakPolarHBondContact O-CG 3.34Å; F437-K441 PolarHBondContact O-N 2.85Å; F437-L526 HydrophobicContact CD1-CD1 4.1Å; F437-L526 HydrophobicContact CE1-CD1 4.29Å; F437-L526 HydrophobicContact CE1-CD2 3.88Å
438	C	91.6	Very high	81.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-39.3	177.4	-74.1	0	0	0	0	112.4	Y434 A442 L597	Y434-C438 PolarHBondContact O-N 3.42Å; C438-A442 PolarHBondContact O-N 3.26Å; C438-A442 VanDerWaalsContact O-N 3.11Å; C438-L597 HydrophobicContact CB-CD2 4.39Å
439	S	89.3	Confident	79.2	Confident	12 Å²	12	39.9 Å²	39.9	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-50.5	176.2	-168.5	0	0	0	0	111.4	A435 H436 F437 K441 A442 E443 P596	A435-S439 WeakPolarHBondContact O-CB 3.48Å; A435-S439 PolarHBondContact O-N 3.27Å; A435-S439 VanDerWaalsContact O-N 3.07Å; H436-S439 PolarHBondContact O-N 3.4Å; F437-S439 VanDerWaalsContact C-N 3.34Å; F437-S439 PolarHBondContact O-N 3.02Å; S439-K441 VanDerWaalsContact C-N 3.35Å; S439-K441 PolarHBondContact O-N 3.24Å; S439-A442 WeakPolarHBondContact O-CA 3.23Å; S439-A442 WeakPolarHBondContact O-CB 3.18Å; S439-A442 PolarHBondContact O-N 3.3Å; S439-E443 WeakPolarHBondContact O-CG 3.45Å; S439-E443 PolarHBondContact O-N 3.49Å; S439-P596 VanDerWaalsContact CB-O 3.31Å; S439-P596 WeakPolarHBondContact CB-O 3.24Å; S439-P596 PolarHBondContact OG-O 3.34Å
440	M	89.2	Confident	76.4	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-55.4	-45.5	175.4	173.7	-102.5	-78.3	0	0	112.2	E412 Y416 H436 F437 A442 E443 V444	E412-M440 HydrophobicContact CB-CE 4.25Å; Y416-M440 HydrophobicContact CD1-CB 3.59Å; Y416-M440 HydrophobicContact CD1-CG 3.47Å; Y416-M440 VanDerWaalsContact CD1-CG 3.47Å; Y416-M440 HydrophobicContact CD2-CG 3.66Å; Y416-M440 HydrophobicContact CE1-CB 3.83Å; Y416-M440 HydrophobicContact CE1-CG 3.95Å; Y416-M440 HydrophobicContact CE2-CG 4.13Å; Y416-M440 HydrophobicContact CG-CB 4Å; Y416-M440 HydrophobicContact CG-CG 3.3Å; H436-M440 VanDerWaalsContact O-CB 3.23Å; H436-M440 WeakPolarHBondContact O-CB 3.34Å; H436-M440 PolarHBondContact O-N 3.1Å; F437-M440 HydrophobicContact CD2-CE 4.04Å; F437-M440 HydrophobicContact CE2-CE 4.47Å; F437-M440 PolarHBondContact O-N 3.37Å; M440-A442 VanDerWaalsContact C-N 3.28Å; M440-A442 PolarHBondContact O-N 3.13Å; M440-E443 PolarHBondContact O-N 2.81Å; M440-V444 HydrophobicContact CG-CG2 3.94Å; M440-V444 WeakPolarHBondContact O-CB 3.38Å; M440-V444 VanDerWaalsContact O-CG2 3.24Å; M440-V444 WeakPolarHBondContact O-CG2 3.39Å; M440-V444 PolarHBondContact O-N 3.28Å; M440-V444 HydrophobicContact SD-CG2 4.35Å
441	K	87.6	Confident	73.5	Confident	38 Å²	38	58.9 Å²	58.9	17%	0.165	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-28	177.3	-68.4	-57.1	-173.8	-171.4	0	113.4	F437 S439 S502 L503	F437-K441 HydrophobicContact CD1-CG 4.47Å; F437-K441 HydrophobicContact CE1-CG 4.06Å; F437-K441 HydrophobicContact CE2-CG 4.37Å; F437-K441 HydrophobicContact CZ-CG 4.01Å; F437-K441 WeakPolarHBondContact O-CG 3.34Å; F437-K441 PolarHBondContact O-N 2.85Å; S439-K441 VanDerWaalsContact C-N 3.35Å; S439-K441 PolarHBondContact O-N 3.24Å; K441-S502 CarbonylContact O-C 3.32Å; K441-S502 VanDerWaalsContact O-C 3.28Å; K441-S502 VanDerWaalsContact O-CB 3.31Å; K441-S502 WeakPolarHBondContact O-CB 3.27Å; K441-S502 PolarHBondContact O-OG 2.61Å; K441-L503 HydrophobicContact CB-CD1 4.31Å; K441-L503 PolarHBondContact O-N 3.26Å
442	A	84.1	Confident	70.7	Confident	10 Å²	10	64.7 Å²	64.7	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-71.6	-38.1	172.4	0	0	0	0	0	112.2	C438 S439 M440 S502 L503 L600	C438-A442 PolarHBondContact O-N 3.26Å; C438-A442 VanDerWaalsContact O-N 3.11Å; S439-A442 WeakPolarHBondContact O-CA 3.23Å; S439-A442 WeakPolarHBondContact O-CB 3.18Å; S439-A442 PolarHBondContact O-N 3.3Å; M440-A442 VanDerWaalsContact C-N 3.28Å; M440-A442 PolarHBondContact O-N 3.13Å; A442-S502 PolarHBondContact O-OG 2.84Å; A442-L503 HydrophobicContact CB-CD1 4.31Å; A442-L600 HydrophobicContact CB-CD1 4.11Å; A442-L600 HydrophobicContact CB-CD2 3.82Å; A442-L600 HydrophobicContact CB-CG 4.49Å
443	E	78.9	Confident	68	Low	81 Å²	81	69.6 Å²	69.6	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-84.6	-37.9	-173.6	-69	177.8	173.8	0	0	114.5	Y416 S439 M440 G445 E446	Y416-E443 WeakPolarHBondContact OH-CB 3.31Å; Y416-E443 PolarHBondContact OH-OE2 3.38Å; S439-E443 WeakPolarHBondContact O-CG 3.45Å; S439-E443 PolarHBondContact O-N 3.49Å; M440-E443 PolarHBondContact O-N 2.81Å; E443-G445 PolarHBondContact O-N 2.62Å; E443-E446 WeakPolarHBondContact O-CB 3.49Å; E443-E446 WeakPolarHBondContact O-CG 3.49Å; E443-E446 PolarHBondContact O-N 3.05Å
444	V	68.3	Low	65.5	Low	94 Å²	94	77.3 Å²	77.3	57%	0.57	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.8	-177.5	171	0	0	0	0	113.2	Y416 M440 E446	Y416-V444 HydrophobicContact CD2-CG2 3.88Å; Y416-V444 HydrophobicContact CE2-CG2 3.63Å; M440-V444 HydrophobicContact CG-CG2 3.94Å; M440-V444 WeakPolarHBondContact O-CB 3.38Å; M440-V444 VanDerWaalsContact O-CG2 3.24Å; M440-V444 WeakPolarHBondContact O-CG2 3.39Å; M440-V444 PolarHBondContact O-N 3.28Å; M440-V444 HydrophobicContact SD-CG2 4.35Å; V444-E446 VanDerWaalsContact C-N 3.3Å
445	G	53.9	Low	63.5	Low	42 Å²	42	80.4 Å²	80.4	43%	0.433	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.7	170.7	0	0	0	0	0	115.9	E443	E443-G445 PolarHBondContact O-N 2.62Å
446	E	49.3	Very low	61.8	Low	115 Å²	115	88.4 Å²	88.4	54%	0.537	47%	0.468	S	S	.	.	S	Bend	trans	-78.8	123.2	175.9	-66.6	-168.4	169.2	0	0	110.2	E443 V444 R448	E443-E446 WeakPolarHBondContact O-CB 3.49Å; E443-E446 WeakPolarHBondContact O-CG 3.49Å; E443-E446 PolarHBondContact O-N 3.05Å; V444-E446 VanDerWaalsContact C-N 3.3Å; E446-R448 PolarHBondContact O-N 2.95Å
447	P	38.4	Very low	60.4	Low	113 Å²	113	94.2 Å²	94.2	73%	0.734	50%	0.495	S	S	*	.			trans	-63.7	106.3	170	-8.4	20.9	0	0	0	108.4	G449	P447-G449 PolarHBondContact O-N 3.35Å
448	R	39.1	Very low	59.1	Low	212 Å²	212	99.5 Å²	99.5	80%	0.8	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	105.7	170.4	-72.6	-174.2	178.4	-174.3	0.1	108.2	E446	E446-R448 PolarHBondContact O-N 2.95Å
449	G	43.8	Very low	58.1	Low	78 Å²	78	102.2 Å²	102.2	80%	0.804	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.6	25.1	169.3	0	0	0	0	0	118.5	P447	P447-G449 PolarHBondContact O-N 3.35Å
450	R	33.4	Very low	57.4	Low	227 Å²	227	104.2 Å²	104.2	86%	0.857	55%	0.549	S	S	*	.	S	Bend	trans	-123.5	149.6	160	-78.3	-171	179.1	-178.4	0.7	111.6
451	E	32.7	Very low	57.1	Low	177 Å²	177	106.9 Å²	106.9	83%	0.827	57%	0.566	S	S	*	*			trans	-44.8	144.9	179.3	-73.7	-173.6	160.6	0	0	112.6	V453	E451-V453 PolarHBondContact O-N 3.2Å
452	P	37.2	Very low	56.9	Low	122 Å²	122	106 Å²	106	79%	0.792	56%	0.563	S	S	*	*			trans	-64.9	99.5	-170.2	26.7	-33.9	0	0	0	110.9	K454	P452-K454 PolarHBondContact O-N 3.21Å
453	V	39.7	Very low	57	Low	110 Å²	110	110 Å²	110	67%	0.667	58%	0.576	S	S	*	*			trans	-59.8	123.7	156.6	-179.7	0	0	0	0	106.1	E451 S455	E451-V453 PolarHBondContact O-N 3.2Å; V453-S455 PolarHBondContact O-N 3.25Å
454	K	42.8	Very low	57.4	Low	165 Å²	165	112.5 Å²	112.5	72%	0.717	59%	0.586	S	S	*	*			trans	-28.7	96.2	-172.4	-63.6	-179.3	-179.6	-179.7	0	113.4	P452 E456 Q457	P452-K454 PolarHBondContact O-N 3.21Å; K454-E456 PolarHBondContact O-N 2.74Å; K454-Q457 PolarHBondContact O-N 3.21Å; K454-Q457 VanDerWaalsContact O-N 3.1Å
455	S	54.6	Low	58.5	Low	67 Å²	67	108.1 Å²	108.1	47%	0.469	56%	0.559	S	S	.	*	H	α-helix	trans	-49	-33.4	-174.5	162.9	0	0	0	0	113.3	V453 Q457 H459	V453-S455 PolarHBondContact O-N 3.25Å; S455-Q457 PolarHBondContact O-N 3.34Å; S455-H459 PolarHBondContact O-CD2 2.8Å; S455-H459 PolarHBondContact O-N 3.17Å; S455-H459 PolarHBondContact OG-CD2 3.37Å; S455-H459 VanDerWaalsContact OG-CD2 3.25Å; S455-H459 PolarHBondContact OG-NE2 2.87Å
456	E	57.7	Low	60.2	Low	167 Å²	167	106.3 Å²	106.3	78%	0.78	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-35.1	-179.7	-69.8	-171.1	147.1	0	0	115.1	K454 A460	K454-E456 PolarHBondContact O-N 2.74Å; E456-A460 VanDerWaalsContact O-CB 3.32Å; E456-A460 WeakPolarHBondContact O-CB 3.5Å; E456-A460 PolarHBondContact O-N 3.44Å
457	Q	63.3	Low	62.2	Low	141 Å²	141	102.4 Å²	102.4	66%	0.659	53%	0.53	S	S	*	.	H	α-helix	trans	-78.1	-32.8	-172.7	-166	152.8	-8.4	0	0	112.5	K454 S455 T461	K454-Q457 PolarHBondContact O-N 3.21Å; K454-Q457 VanDerWaalsContact O-N 3.1Å; S455-Q457 PolarHBondContact O-N 3.34Å; Q457-T461 PolarHBondContact O-N 2.89Å; Q457-T461 VanDerWaalsContact O-N 3.12Å; Q457-T461 PolarHBondContact O-OG1 2.91Å
458	H	66.2	Low	64.9	Low	112 Å²	112	98.2 Å²	98.2	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-70.1	-44.7	171.7	-78.3	-75.6	0	0	0	111.6	A460 T461 N462	H458-A460 VanDerWaalsContact C-N 3.31Å; H458-A460 PolarHBondContact O-N 2.97Å; H458-T461 PolarHBondContact O-N 3.4Å; H458-T461 VanDerWaalsContact O-N 3.13Å; H458-N462 PolarHBondContact O-N 3.27Å
459	H	70.3	Confident	67.5	Low	58 Å²	58	88.1 Å²	88.1	27%	0.269	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-37.9	173.9	-69.9	-54	0	0	0	112.3	S455 T461 R463	S455-H459 PolarHBondContact O-CD2 2.8Å; S455-H459 PolarHBondContact O-N 3.17Å; S455-H459 PolarHBondContact OG-CD2 3.37Å; S455-H459 VanDerWaalsContact OG-CD2 3.25Å; S455-H459 PolarHBondContact OG-NE2 2.87Å; H459-T461 VanDerWaalsContact C-N 3.32Å; H459-T461 PolarHBondContact O-N 3.15Å; H459-R463 WeakPolarHBondContact O-CB 3.43Å; H459-R463 PolarHBondContact O-N 2.69Å
460	A	75.3	Confident	70	Confident	54 Å²	54	84.5 Å²	84.5	45%	0.446	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-38.6	174.2	0	0	0	0	0	112.4	E456 H458 K464	E456-A460 VanDerWaalsContact O-CB 3.32Å; E456-A460 WeakPolarHBondContact O-CB 3.5Å; E456-A460 PolarHBondContact O-N 3.44Å; H458-A460 VanDerWaalsContact C-N 3.31Å; H458-A460 PolarHBondContact O-N 2.97Å; A460-K464 PolarHBondContact O-N 2.76Å
461	T	82	Confident	72.9	Confident	62 Å²	62	78 Å²	78	38%	0.38	40%	0.401	S	S	.	.	H	α-helix	trans	-68.2	-48.7	177.8	-56.1	0	0	0	0	111.5	Q457 H458 H459 R463 K464 L465	Q457-T461 PolarHBondContact O-N 2.89Å; Q457-T461 VanDerWaalsContact O-N 3.12Å; Q457-T461 PolarHBondContact O-OG1 2.91Å; H458-T461 PolarHBondContact O-N 3.4Å; H458-T461 VanDerWaalsContact O-N 3.13Å; H459-T461 VanDerWaalsContact C-N 3.32Å; H459-T461 PolarHBondContact O-N 3.15Å; T461-R463 VanDerWaalsContact C-N 3.31Å; T461-R463 PolarHBondContact O-N 3.48Å; T461-K464 PolarHBondContact O-N 3.15Å; T461-L465 PolarHBondContact O-N 3.31Å
462	N	83.7	Confident	75.9	Confident	20 Å²	20	69.5 Å²	69.5	11%	0.107	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-37.1	177.1	-77.4	-12.2	0	0	0	112.1	H458 L465 L466 L503 L600	H458-N462 PolarHBondContact O-N 3.27Å; N462-L465 PolarHBondContact O-N 3.13Å; N462-L466 WeakPolarHBondContact O-CB 3.43Å; N462-L466 PolarHBondContact O-N 3.49Å; N462-L503 HydrophobicContact CB-CD2 4.12Å; N462-L600 HydrophobicContact CB-CD2 3.9Å
463	R	86	Confident	78.7	Confident	93 Å²	93	63.7 Å²	63.7	35%	0.351	32%	0.324	S	S	.	.	H	α-helix	trans	-61.3	-46	173.6	175.6	177	-49.7	-161	2.9	112.4	H459 T461 G467 G599 L600	H459-R463 WeakPolarHBondContact O-CB 3.43Å; H459-R463 PolarHBondContact O-N 2.69Å; T461-R463 VanDerWaalsContact C-N 3.31Å; T461-R463 PolarHBondContact O-N 3.48Å; R463-G467 PolarHBondContact O-N 3.37Å; R463-G599 PolarHBondContact NH2-O 2.92Å; R463-L600 WeakPolarHBondContact CA-O 3.21Å; R463-L600 WeakPolarHBondContact CB-O 3.42Å; R463-L600 VanDerWaalsContact CG-O 3.26Å; R463-L600 WeakPolarHBondContact CG-O 3.42Å
464	K	88.3	Confident	81.4	Confident	134 Å²	134	58.5 Å²	58.5	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-63.5	-45	176.4	-174	179.6	178.7	-177	0	111	A460 T461 G467 N468	A460-K464 PolarHBondContact O-N 2.76Å; T461-K464 PolarHBondContact O-N 3.15Å; K464-G467 PolarHBondContact O-N 2.78Å; K464-N468 PolarHBondContact O-N 2.73Å
465	L	90.8	Very high	83.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-49.3	177.9	178.6	59.3	0	0	0	111.4	T461 N462 G467 N468 L469 I494 Q498 C501 L503	T461-L465 PolarHBondContact O-N 3.31Å; N462-L465 PolarHBondContact O-N 3.13Å; L465-G467 VanDerWaalsContact C-N 3.3Å; L465-G467 PolarHBondContact O-N 2.82Å; L465-N468 PolarHBondContact O-N 2.84Å; L465-N468 VanDerWaalsContact O-N 3.16Å; L465-L469 HydrophobicContact CD1-CD1 4.02Å; L465-L469 HydrophobicContact CD1-CG 4.05Å; L465-L469 HydrophobicContact CD2-CD1 4.47Å; L465-L469 HydrophobicContact CG-CD1 3.82Å; L465-L469 HydrophobicContact CG-CG 4.31Å; L465-L469 WeakPolarHBondContact O-CB 3.46Å; L465-L469 WeakPolarHBondContact O-CG 3.44Å; L465-L469 PolarHBondContact O-N 3Å; L465-I494 HydrophobicContact CD1-CG2 3.92Å; L465-Q498 HydrophobicContact CD1-CB 3.91Å; L465-Q498 HydrophobicContact CD2-CB 4.2Å; L465-C501 WeakPolarHBondContact CD2-SG 3.38Å; L465-L503 HydrophobicContact CD2-CB 4.49Å; L465-L503 HydrophobicContact CD2-CD2 4.35Å
466	L	90.4	Very high	85.6	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-40.8	178.5	-168.6	71.9	0	0	0	111.8	N462 L469 G470 L503 L530 L600 L601	N462-L466 WeakPolarHBondContact O-CB 3.43Å; N462-L466 PolarHBondContact O-N 3.49Å; L466-L469 PolarHBondContact O-N 2.94Å; L466-G470 PolarHBondContact O-N 3.01Å; L466-L503 HydrophobicContact CB-CD2 4.32Å; L466-L503 HydrophobicContact CD1-CD2 4.43Å; L466-L530 HydrophobicContact CD1-CD2 3.46Å; L466-L530 VanDerWaalsContact CD1-CD2 3.46Å; L466-L530 HydrophobicContact CG-CD2 4.37Å; L466-L600 HydrophobicContact CD2-CB 3.72Å; L466-L600 HydrophobicContact CD2-CD1 4.17Å; L466-L600 HydrophobicContact CD2-CG 4.48Å; L466-L601 HydrophobicContact CD2-CD2 3.97Å
467	G	90.7	Very high	87.1	Confident	32 Å²	32	42.5 Å²	42.5	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-60.8	-43.6	174.6	0	0	0	0	0	113	R463 K464 L465 R471	R463-G467 PolarHBondContact O-N 3.37Å; K464-G467 PolarHBondContact O-N 2.78Å; L465-G467 VanDerWaalsContact C-N 3.3Å; L465-G467 PolarHBondContact O-N 2.82Å; G467-R471 WeakPolarHBondContact O-CB 3.45Å; G467-R471 PolarHBondContact O-N 3.38Å
468	N	94.4	Very high	88.4	Confident	26 Å²	26	38.2 Å²	38.2	14%	0.139	19%	0.192	C	C	.	.	H	α-helix	trans	-70.4	-39.4	177.7	-71.3	-14.4	0	0	0	112.4	K464 L465 R471 L472 G493 I494	K464-N468 PolarHBondContact O-N 2.73Å; L465-N468 PolarHBondContact O-N 2.84Å; L465-N468 VanDerWaalsContact O-N 3.16Å; N468-R471 PolarHBondContact O-N 2.97Å; N468-L472 PolarHBondContact O-N 2.84Å; N468-G493 PolarHBondContact ND2-O 3.26Å; N468-I494 HydrophobicContact CB-CG1 3.72Å
469	L	94.9	Very high	89.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-43.4	173.3	-73.9	170	0	0	0	111.7	L465 L466 R471 L472 A473 I494 V507 L508 F521	L465-L469 HydrophobicContact CD1-CD1 4.02Å; L465-L469 HydrophobicContact CD1-CG 4.05Å; L465-L469 HydrophobicContact CD2-CD1 4.47Å; L465-L469 HydrophobicContact CG-CD1 3.82Å; L465-L469 HydrophobicContact CG-CG 4.31Å; L465-L469 WeakPolarHBondContact O-CB 3.46Å; L465-L469 WeakPolarHBondContact O-CG 3.44Å; L465-L469 PolarHBondContact O-N 3Å; L466-L469 PolarHBondContact O-N 2.94Å; L469-R471 VanDerWaalsContact C-N 3.32Å; L469-R471 PolarHBondContact O-N 2.85Å; L469-L472 WeakPolarHBondContact O-CB 3.31Å; L469-L472 PolarHBondContact O-N 3.44Å; L469-A473 VanDerWaalsContact O-CB 3.26Å; L469-A473 WeakPolarHBondContact O-CB 3.46Å; L469-A473 PolarHBondContact O-N 2.88Å; L469-I494 HydrophobicContact CD2-CD1 3.76Å; L469-I494 HydrophobicContact CG-CD1 4.3Å; L469-V507 HydrophobicContact CD1-CG1 4.26Å; L469-L508 HydrophobicContact CD2-CD1 3.66Å; L469-L508 HydrophobicContact CD2-CD2 4.27Å; L469-L508 HydrophobicContact CD2-CG 4Å; L469-F521 HydrophobicContact CD2-CE1 4.36Å
470	G	95.3	Very high	90.1	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-64.2	-37.1	175.7	0	0	0	0	0	112.5	L466 A473 F474 L530 F534	L466-G470 PolarHBondContact O-N 3.01Å; G470-A473 PolarHBondContact O-N 3.45Å; G470-F474 WeakPolarHBondContact O-CB 3.34Å; G470-F474 PolarHBondContact O-N 2.79Å; G470-L530 WeakPolarHBondContact CA-O 3.36Å; G470-F534 WeakPolarHBondContact O-CB 3.32Å
471	R	95.1	Very high	90.6	Very high	89 Å²	89	40.2 Å²	40.2	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-65.3	-46.5	173.6	-171.1	172.9	63.5	165.8	0.1	112	G467 N468 L469 A473 F474 Y475 Y492 F534	G467-R471 WeakPolarHBondContact O-CB 3.45Å; G467-R471 PolarHBondContact O-N 3.38Å; N468-R471 PolarHBondContact O-N 2.97Å; L469-R471 VanDerWaalsContact C-N 3.32Å; L469-R471 PolarHBondContact O-N 2.85Å; R471-A473 VanDerWaalsContact C-N 3.31Å; R471-A473 PolarHBondContact O-N 2.77Å; R471-F474 PolarHBondContact O-N 2.96Å; R471-Y475 HydrophobicContact CG-CD2 3.88Å; R471-Y475 HydrophobicContact CG-CE2 3.83Å; R471-Y475 WeakPolarHBondContact O-CD2 3.46Å; R471-Y475 PolarHBondContact O-N 3.14Å; R471-Y492 HydrophobicContact CG-CD1 4.14Å; R471-Y492 VanDerWaalsContact NH2-C 3.3Å; R471-Y492 PolarHBondContact NH2-O 3.23Å; R471-F534 HydrophobicContact CB-CD2 3.77Å; R471-F534 HydrophobicContact CB-CE2 3.62Å; R471-F534 HydrophobicContact CB-CG 4.36Å; R471-F534 HydrophobicContact CB-CZ 4.1Å; R471-F534 HydrophobicContact CG-CD2 4.38Å; R471-F534 HydrophobicContact CG-CE1 4.43Å; R471-F534 HydrophobicContact CG-CE2 3.76Å; R471-F534 HydrophobicContact CG-CZ 3.79Å
472	L	95.8	Very high	90.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.4	-50.2	172.6	172.7	69.2	0	0	0	109.7	N468 L469 F474 S476 F484 L489 Y492 I494 F521	N468-L472 PolarHBondContact O-N 2.84Å; L469-L472 WeakPolarHBondContact O-CB 3.31Å; L469-L472 PolarHBondContact O-N 3.44Å; L472-F474 PolarHBondContact O-N 2.91Å; L472-S476 WeakPolarHBondContact O-CB 3.44Å; L472-S476 PolarHBondContact O-N 2.81Å; L472-S476 PolarHBondContact O-OG 3.18Å; L472-F484 HydrophobicContact CD1-CD1 3.8Å; L472-F484 HydrophobicContact CD1-CE1 3.81Å; L472-F484 HydrophobicContact CD1-CG 4.46Å; L472-F484 HydrophobicContact CD1-CZ 4.49Å; L472-F484 HydrophobicContact CD2-CD1 4.45Å; L472-F484 HydrophobicContact CD2-CD2 4.41Å; L472-F484 HydrophobicContact CD2-CG 4.37Å; L472-F484 HydrophobicContact CG-CD1 4.41Å; L472-F484 HydrophobicContact CG-CE1 4.21Å; L472-F484 HydrophobicContact CG-CZ 4.4Å; L472-L489 HydrophobicContact CD2-CD2 3.59Å; L472-Y492 HydrophobicContact CB-CD1 4.36Å; L472-Y492 HydrophobicContact CB-CD2 4.37Å; L472-Y492 HydrophobicContact CB-CG 4.01Å; L472-Y492 HydrophobicContact CD1-CD2 3.3Å; L472-Y492 HydrophobicContact CD1-CE2 3.63Å; L472-Y492 HydrophobicContact CD1-CG 3.84Å; L472-Y492 HydrophobicContact CG-CD2 4.43Å; L472-I494 HydrophobicContact CB-CD1 4.2Å; L472-I494 HydrophobicContact CD2-CD1 3.81Å; L472-F521 HydrophobicContact CD2-CE2 4.44Å; L472-F521 HydrophobicContact CD2-CZ 4.19Å; L472-F521 HydrophobicContact CG-CZ 4.49Å
473	A	96.3	Very high	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-45.7	-177.6	0	0	0	0	0	112.8	L469 G470 R471 S476 L477 F521 Q527 L530 A531	L469-A473 VanDerWaalsContact O-CB 3.26Å; L469-A473 WeakPolarHBondContact O-CB 3.46Å; L469-A473 PolarHBondContact O-N 2.88Å; G470-A473 PolarHBondContact O-N 3.45Å; R471-A473 VanDerWaalsContact C-N 3.31Å; R471-A473 PolarHBondContact O-N 2.77Å; A473-S476 WeakPolarHBondContact CA-OG 3.4Å; A473-S476 PolarHBondContact O-OG 3.26Å; A473-S476 VanDerWaalsContact O-OG 3.04Å; A473-L477 VanDerWaalsContact O-CB 3.24Å; A473-L477 WeakPolarHBondContact O-CB 3.48Å; A473-L477 PolarHBondContact O-N 3.32Å; A473-F521 HydrophobicContact CB-CE1 4.48Å; A473-F521 HydrophobicContact CB-CE2 4.11Å; A473-F521 HydrophobicContact CB-CZ 3.77Å; A473-Q527 HydrophobicContact CB-CG 3.8Å; A473-Q527 WeakPolarHBondContact CB-O 3.28Å; A473-L530 HydrophobicContact CB-CB 3.96Å; A473-A531 HydrophobicContact CB-CB 4.21Å
474	F	95.8	Very high	91.2	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-54.1	-179.2	179.8	-104.5	0	0	0	112.5	G470 R471 L472 S476 L477 L478 A531 F534 Y535 L546 F547 F581	G470-F474 WeakPolarHBondContact O-CB 3.34Å; G470-F474 PolarHBondContact O-N 2.79Å; R471-F474 PolarHBondContact O-N 2.96Å; L472-F474 PolarHBondContact O-N 2.91Å; F474-S476 VanDerWaalsContact C-N 3.32Å; F474-S476 PolarHBondContact O-N 2.94Å; F474-L477 WeakPolarHBondContact O-CB 3.49Å; F474-L477 PolarHBondContact O-N 3.4Å; F474-L478 HydrophobicContact CD1-CD1 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.81Å; F474-L478 HydrophobicContact CZ-CD1 3.91Å; F474-L478 PolarHBondContact O-N 3.03Å; F474-A531 HydrophobicContact CB-CB 3.93Å; F474-A531 HydrophobicContact CD2-CB 4.24Å; F474-F534 HydrophobicContact CB-CD1 3.65Å; F474-F534 HydrophobicContact CB-CE1 4.21Å; F474-F534 HydrophobicContact CD1-CD1 4.08Å; F474-F534 AromaticContact CD1-CE1 3.89Å; F474-F534 HydrophobicContact CD1-CE1 3.89Å; F474-F534 AromaticContact CG-CD1 3.91Å; F474-F534 HydrophobicContact CG-CD1 3.91Å; F474-F534 HydrophobicContact CG-CE1 4.21Å; F474-Y535 HydrophobicContact CD2-CD2 4.24Å; F474-Y535 HydrophobicContact CE1-CD2 4.42Å; F474-Y535 AromaticContact CE2-CD2 3.52Å; F474-Y535 HydrophobicContact CE2-CD2 3.52Å; F474-Y535 HydrophobicContact CE2-CE2 4.14Å; F474-Y535 HydrophobicContact CE2-CG 4.41Å; F474-Y535 AromaticContact CZ-CD2 3.62Å; F474-Y535 HydrophobicContact CZ-CD2 3.62Å; F474-Y535 AromaticContact CZ-CE2 3.93Å; F474-Y535 HydrophobicContact CZ-CE2 3.93Å; F474-L546 HydrophobicContact CE1-CB 4.24Å; F474-L546 WeakPolarHBondContact CE1-O 3.35Å; F474-L546 HydrophobicContact CZ-CB 4.39Å; F474-F547 HydrophobicContact CE2-CE1 4.3Å; F474-F547 HydrophobicContact CE2-CE2 4.45Å; F474-F547 HydrophobicContact CE2-CZ 4.1Å; F474-F547 HydrophobicContact CZ-CD1 4.27Å; F474-F547 HydrophobicContact CZ-CD2 4.31Å; F474-F547 HydrophobicContact CZ-CE1 4.21Å; F474-F547 HydrophobicContact CZ-CE2 4.24Å; F474-F547 HydrophobicContact CZ-CG 4.32Å; F474-F547 HydrophobicContact CZ-CZ 4.19Å; F474-F581 AromaticContact CD2-CE2 3.85Å; F474-F581 HydrophobicContact CD2-CE2 3.85Å; F474-F581 HydrophobicContact CD2-CZ 4.22Å; F474-F581 AromaticContact CE2-CE2 3.95Å; F474-F581 HydrophobicContact CE2-CE2 3.95Å; F474-F581 AromaticContact CE2-CZ 3.84Å; F474-F581 HydrophobicContact CE2-CZ 3.84Å
475	Y	93.4	Very high	91.2	Very high	58 Å²	58	29.7 Å²	29.7	23%	0.227	14%	0.144	C	C	.	.	H	α-helix	trans	-71.2	-28.3	-177.3	-71.5	-65.7	0	0	0	113.2	R471 L478 K479 Y492 F534	R471-Y475 HydrophobicContact CG-CD2 3.88Å; R471-Y475 HydrophobicContact CG-CE2 3.83Å; R471-Y475 WeakPolarHBondContact O-CD2 3.46Å; R471-Y475 PolarHBondContact O-N 3.14Å; Y475-L478 HydrophobicContact CD1-CD1 4.46Å; Y475-K479 WeakPolarHBondContact O-CG 3.12Å; Y475-K479 PolarHBondContact O-N 2.96Å; Y475-Y492 WeakPolarHBondContact CB-OH 3.5Å; Y475-Y492 AromaticContact CD2-CE1 3.95Å; Y475-Y492 HydrophobicContact CD2-CE1 3.95Å; Y475-Y492 HydrophobicContact CG-CE1 4.38Å; Y475-F534 HydrophobicContact CE2-CE1 4.33Å; Y475-F534 HydrophobicContact CE2-CZ 4.36Å
476	S	91.4	Very high	91.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-73.7	-33.9	173.6	58.6	0	0	0	0	112.8	L472 A473 F474 L478 K479 H480 K481 F484 Q527	L472-S476 WeakPolarHBondContact O-CB 3.44Å; L472-S476 PolarHBondContact O-N 2.81Å; L472-S476 PolarHBondContact O-OG 3.18Å; A473-S476 WeakPolarHBondContact CA-OG 3.4Å; A473-S476 PolarHBondContact O-OG 3.26Å; A473-S476 VanDerWaalsContact O-OG 3.04Å; F474-S476 VanDerWaalsContact C-N 3.32Å; F474-S476 PolarHBondContact O-N 2.94Å; S476-L478 VanDerWaalsContact C-N 3.34Å; S476-L478 PolarHBondContact O-N 3.32Å; S476-K479 CarbonylContact O-C 3.3Å; S476-K479 PolarHBondContact O-N 3.4Å; S476-K479 VanDerWaalsContact O-N 3.15Å; S476-H480 PolarHBondContact O-N 2.93Å; S476-H480 VanDerWaalsContact O-N 3.14Å; S476-K481 WeakPolarHBondContact CB-O 3.13Å; S476-K481 PolarHBondContact O-N 3.37Å; S476-F484 VanDerWaalsContact CB-CE1 3.43Å; S476-F484 WeakPolarHBondContact OG-CZ 2.95Å; S476-Q527 PolarHBondContact OG-NE2 3.49Å
477	L	90.5	Very high	91.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-44.6	172.9	-176.3	65.4	0	0	0	111	A473 F474 K479 H480 E528 A531 L578 F581	A473-L477 VanDerWaalsContact O-CB 3.24Å; A473-L477 WeakPolarHBondContact O-CB 3.48Å; A473-L477 PolarHBondContact O-N 3.32Å; F474-L477 WeakPolarHBondContact O-CB 3.49Å; F474-L477 PolarHBondContact O-N 3.4Å; L477-K479 PolarHBondContact O-N 3.09Å; L477-H480 PolarHBondContact O-N 3.04Å; L477-E528 HydrophobicContact CD1-CG 4.02Å; L477-E528 HydrophobicContact CD2-CG 4.18Å; L477-A531 HydrophobicContact CD2-CB 4.23Å; L477-L578 HydrophobicContact CD2-CD2 4.07Å; L477-L578 HydrophobicContact CG-CD2 4.42Å; L477-F581 HydrophobicContact CD2-CB 4.27Å
478	L	89.5	Confident	91.1	Very high	50 Å²	50	39.4 Å²	39.4	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-64.1	-25.6	176.1	-60.9	-178.8	0	0	0	113.6	F474 Y475 S476 F547 L578	F474-L478 HydrophobicContact CD1-CD1 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.81Å; F474-L478 HydrophobicContact CZ-CD1 3.91Å; F474-L478 PolarHBondContact O-N 3.03Å; Y475-L478 HydrophobicContact CD1-CD1 4.46Å; S476-L478 VanDerWaalsContact C-N 3.34Å; S476-L478 PolarHBondContact O-N 3.32Å; L478-F547 HydrophobicContact CD1-CD1 4.19Å; L478-F547 HydrophobicContact CD2-CD1 3.7Å; L478-F547 HydrophobicContact CD2-CE1 3.64Å; L478-L578 HydrophobicContact CD2-CD2 4.25Å
479	K	87.6	Confident	91	Very high	114 Å²	114	38.2 Å²	38.2	50%	0.496	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6.1	179.4	-66.7	-179.2	-173.6	-163.9	0	113.1	Y475 S476 L477 K481 E549	Y475-K479 WeakPolarHBondContact O-CG 3.12Å; Y475-K479 PolarHBondContact O-N 2.96Å; S476-K479 CarbonylContact O-C 3.3Å; S476-K479 PolarHBondContact O-N 3.4Å; S476-K479 VanDerWaalsContact O-N 3.15Å; L477-K479 PolarHBondContact O-N 3.09Å; K479-K481 HydrophobicContact CB-CB 4.5Å; K479-K481 PolarHBondContact O-N 2.82Å; K479-E549 WeakPolarHBondContact CE-OE1 3.44Å; K479-E549 IonicContact NZ-OE1 3.8Å; K479-E549 PolarHBondContact NZ-OE1 3.12Å
480	H	84.6	Confident	90.9	Very high	90 Å²	90	45.3 Å²	45.3	42%	0.417	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	37.8	-172.6	-60.7	-87.6	0	0	0	113.4	S476 L477 D575 H577	S476-H480 PolarHBondContact O-N 2.93Å; S476-H480 VanDerWaalsContact O-N 3.14Å; L477-H480 PolarHBondContact O-N 3.04Å; H480-D575 IonicContact CE1-OD2 3.33Å; H480-D575 PolarHBondContact CE1-OD2 3.07Å; H480-D575 VanDerWaalsContact CE1-OD2 3.31Å; H480-H577 AromaticContact CE1-CE1 3.97Å; H480-H577 AromaticContact CE1-CG 3.81Å; H480-H577 AromaticContact CE1-ND1 3.76Å
481	K	87.1	Confident	90.7	Very high	62 Å²	62	48.9 Å²	48.9	27%	0.27	23%	0.232	S	C	.	.			trans	-105.2	120.1	-179.2	-174.1	171.9	179.6	171.6	0	110.8	S476 K479 T483 F484 D488 Q527	S476-K481 WeakPolarHBondContact CB-O 3.13Å; S476-K481 PolarHBondContact O-N 3.37Å; K479-K481 HydrophobicContact CB-CB 4.5Å; K479-K481 PolarHBondContact O-N 2.82Å; K481-T483 WeakPolarHBondContact CE-O 3.44Å; K481-T483 WeakPolarHBondContact CG-O 3.35Å; K481-F484 HydrophobicContact CD-CD1 4.37Å; K481-F484 HydrophobicContact CD-CE1 4.3Å; K481-F484 HydrophobicContact CG-CD1 4.38Å; K481-F484 HydrophobicContact CG-CE1 4.02Å; K481-D488 WeakPolarHBondContact CE-OD2 3.32Å; K481-D488 IonicContact NZ-OD1 2.67Å; K481-D488 PolarHBondContact NZ-OD1 2.88Å; K481-D488 IonicContact NZ-OD2 2.75Å; K481-D488 PolarHBondContact NZ-OD2 3.37Å; K481-Q527 PolarHBondContact O-NE2 3.39Å; K481-Q527 VanDerWaalsContact O-NE2 3.14Å
482	Y	86.3	Confident	90.6	Very high	41 Å²	41	46.9 Å²	46.9	16%	0.161	23%	0.225	C	C	.	.			trans	-114.7	-15	-175.9	-50.5	-63	0	0	0	113.9	L524	Y482-L524 HydrophobicContact CD1-CD1 3.55Å; Y482-L524 HydrophobicContact CE1-CD1 3.4Å
483	T	88.3	Confident	90.3	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.117	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.7	177	58.9	0	0	0	0	111.1	C256 E299 K481 Y519	C256-T483 HydrophobicContact CB-CG2 4.02Å; E299-T483 HydrophobicContact CB-CG2 3.89Å; E299-T483 HydrophobicContact CG-CG2 4.31Å; K481-T483 WeakPolarHBondContact CE-O 3.44Å; K481-T483 WeakPolarHBondContact CG-O 3.35Å; T483-Y519 CarbonylContact C-O 3.53Å
484	F	89.5	Confident	90.1	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139	-171.9	-50.3	-74.1	0	0	0	111.6	L472 S476 K481 D488 L489 Y519 F521	L472-F484 HydrophobicContact CD1-CD1 3.8Å; L472-F484 HydrophobicContact CD1-CE1 3.81Å; L472-F484 HydrophobicContact CD1-CG 4.46Å; L472-F484 HydrophobicContact CD1-CZ 4.49Å; L472-F484 HydrophobicContact CD2-CD1 4.45Å; L472-F484 HydrophobicContact CD2-CD2 4.41Å; L472-F484 HydrophobicContact CD2-CG 4.37Å; L472-F484 HydrophobicContact CG-CD1 4.41Å; L472-F484 HydrophobicContact CG-CE1 4.21Å; L472-F484 HydrophobicContact CG-CZ 4.4Å; S476-F484 VanDerWaalsContact CB-CE1 3.43Å; S476-F484 WeakPolarHBondContact OG-CZ 2.95Å; K481-F484 HydrophobicContact CD-CD1 4.37Å; K481-F484 HydrophobicContact CD-CE1 4.3Å; K481-F484 HydrophobicContact CG-CD1 4.38Å; K481-F484 HydrophobicContact CG-CE1 4.02Å; F484-D488 HydrophobicContact CB-CB 4.1Å; F484-D488 HydrophobicContact CD1-CB 4.41Å; F484-L489 HydrophobicContact CB-CD2 4.26Å; F484-Y519 WeakPolarHBondContact CD2-O 3.35Å; F484-Y519 PolarHBondContact N-O 3.32Å; F484-Y519 PolarHBondContact O-N 3.28Å; F484-F521 AromaticContact CE2-CD2 3.73Å; F484-F521 HydrophobicContact CE2-CD2 3.73Å; F484-F521 AromaticContact CE2-CE2 3.57Å; F484-F521 HydrophobicContact CE2-CE2 3.57Å; F484-F521 HydrophobicContact CZ-CD2 4.34Å; F484-F521 AromaticContact CZ-CE2 3.92Å; F484-F521 HydrophobicContact CZ-CE2 3.92Å
485	S	88.4	Confident	89.7	Confident	25 Å²	25	52.9 Å²	52.9	18%	0.175	27%	0.266	C	S	.	.			trans	-85.3	169	168.5	65.4	0	0	0	0	111.2	Q487 D488 L489	S485-Q487 PolarHBondContact O-N 3.02Å; S485-Q487 PolarHBondContact OG-N 3.33Å; S485-D488 PolarHBondContact N-OD2 3.35Å; S485-D488 WeakPolarHBondContact O-CB 3.19Å; S485-D488 PolarHBondContact O-N 3.06Å; S485-D488 VanDerWaalsContact O-N 3.17Å; S485-D488 VanDerWaalsContact OG-CG 3.23Å; S485-D488 PolarHBondContact OG-N 2.78Å; S485-D488 PolarHBondContact OG-OD2 3.31Å; S485-L489 PolarHBondContact O-N 3.35Å
486	E	88.9	Confident	89.3	Confident	55 Å²	55	51.6 Å²	51.6	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-58.6	-34	171.1	-69.1	-175.7	-168.9	0	0	112.6	L489 R490 L496 Y519	E486-L489 PolarHBondContact O-N 3.12Å; E486-R490 WeakPolarHBondContact O-CG 3.43Å; E486-R490 PolarHBondContact O-N 3.5Å; E486-R490 VanDerWaalsContact O-N 3.17Å; E486-R490 IonicContact OE2-NH2 2.66Å; E486-L496 HydrophobicContact CB-CD1 4.44Å; E486-L496 HydrophobicContact CB-CD2 4.13Å; E486-L496 HydrophobicContact CG-CD1 4.25Å; E486-L496 HydrophobicContact CG-CD2 3.93Å; E486-L496 WeakPolarHBondContact OE2-CD1 3.32Å; E486-Y519 HydrophobicContact CG-CE2 3.77Å
487	Q	89	Confident	88.9	Confident	150 Å²	150	57.4 Å²	57.4	70%	0.701	29%	0.293	S	S	*	.	H	α-helix	trans	-67	-39.8	177.3	-63.6	179.5	4.7	0	0	111.5	S485 R490 A491	S485-Q487 PolarHBondContact O-N 3.02Å; S485-Q487 PolarHBondContact OG-N 3.33Å; Q487-R490 PolarHBondContact O-N 3.4Å; Q487-A491 WeakPolarHBondContact O-CB 3.44Å; Q487-A491 PolarHBondContact O-N 2.86Å
488	D	90.6	Very high	88.3	Confident	37 Å²	37	59 Å²	59	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-47.6	175.3	-66	-58.7	0	0	0	110.9	K481 F484 S485 R490 A491 Y492	K481-D488 WeakPolarHBondContact CE-OD2 3.32Å; K481-D488 IonicContact NZ-OD1 2.67Å; K481-D488 PolarHBondContact NZ-OD1 2.88Å; K481-D488 IonicContact NZ-OD2 2.75Å; K481-D488 PolarHBondContact NZ-OD2 3.37Å; F484-D488 HydrophobicContact CB-CB 4.1Å; F484-D488 HydrophobicContact CD1-CB 4.41Å; S485-D488 PolarHBondContact N-OD2 3.35Å; S485-D488 WeakPolarHBondContact O-CB 3.19Å; S485-D488 PolarHBondContact O-N 3.06Å; S485-D488 VanDerWaalsContact O-N 3.17Å; S485-D488 VanDerWaalsContact OG-CG 3.23Å; S485-D488 PolarHBondContact OG-N 2.78Å; S485-D488 PolarHBondContact OG-OD2 3.31Å; D488-R490 VanDerWaalsContact C-N 3.32Å; D488-R490 PolarHBondContact O-N 2.97Å; D488-A491 WeakPolarHBondContact O-CB 3.36Å; D488-A491 PolarHBondContact O-N 3.13Å; D488-A491 VanDerWaalsContact O-N 3.16Å; D488-Y492 VanDerWaalsContact O-CD2 3.32Å; D488-Y492 WeakPolarHBondContact O-CD2 3.48Å; D488-Y492 PolarHBondContact O-N 2.92Å
489	L	92.1	Very high	87.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-44.8	179	-64.1	-173.3	0	0	0	111.9	L472 F484 S485 E486 A491 Y492 G493 I494 L496 T499 L508 Y519	L472-L489 HydrophobicContact CD2-CD2 3.59Å; F484-L489 HydrophobicContact CB-CD2 4.26Å; S485-L489 PolarHBondContact O-N 3.35Å; E486-L489 PolarHBondContact O-N 3.12Å; L489-A491 PolarHBondContact O-N 3.46Å; L489-Y492 PolarHBondContact O-N 3.33Å; L489-G493 PolarHBondContact O-N 3.04Å; L489-I494 HydrophobicContact CB-CB 4.23Å; L489-I494 HydrophobicContact CD2-CD1 4.12Å; L489-I494 WeakPolarHBondContact O-CB 3.39Å; L489-I494 PolarHBondContact O-N 3.08Å; L489-L496 HydrophobicContact CD1-CD2 4.24Å; L489-T499 HydrophobicContact CD1-CG2 3.87Å; L489-L508 HydrophobicContact CD2-CD1 4.49Å; L489-Y519 HydrophobicContact CD1-CD1 3.78Å; L489-Y519 HydrophobicContact CD1-CD2 3.66Å; L489-Y519 HydrophobicContact CD1-CE1 3.94Å; L489-Y519 HydrophobicContact CD1-CE2 3.87Å; L489-Y519 HydrophobicContact CD1-CG 3.62Å; L489-Y519 HydrophobicContact CG-CD2 4.42Å; L489-Y519 HydrophobicContact CG-CG 4.49Å
490	R	92.6	Very high	87.4	Confident	149 Å²	149	57.4 Å²	57.4	56%	0.562	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-38.7	177.2	-69.4	178.8	-169.8	163.7	7.3	112.3	E486 Q487 D488 Y492 G493	E486-R490 WeakPolarHBondContact O-CG 3.43Å; E486-R490 PolarHBondContact O-N 3.5Å; E486-R490 VanDerWaalsContact O-N 3.17Å; E486-R490 IonicContact OE2-NH2 2.66Å; Q487-R490 PolarHBondContact O-N 3.4Å; D488-R490 VanDerWaalsContact C-N 3.32Å; D488-R490 PolarHBondContact O-N 2.97Å; R490-Y492 PolarHBondContact O-N 3.12Å; R490-G493 PolarHBondContact O-N 3.38Å
491	A	92.3	Very high	87.2	Confident	78 Å²	78	54.9 Å²	54.9	65%	0.645	29%	0.286	S	S	*	.	H	α-helix	trans	-60.2	-29.6	177.3	0	0	0	0	0	112.6	Q487 D488 L489	Q487-A491 WeakPolarHBondContact O-CB 3.44Å; Q487-A491 PolarHBondContact O-N 2.86Å; D488-A491 WeakPolarHBondContact O-CB 3.36Å; D488-A491 PolarHBondContact O-N 3.13Å; D488-A491 VanDerWaalsContact O-N 3.16Å; L489-A491 PolarHBondContact O-N 3.46Å
492	Y	92.7	Very high	86.7	Confident	47 Å²	47	53.9 Å²	53.9	18%	0.184	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	10.1	174.4	-70.4	-85.9	0	0	0	113.9	R471 L472 Y475 D488 L489 R490	R471-Y492 HydrophobicContact CG-CD1 4.14Å; R471-Y492 VanDerWaalsContact NH2-C 3.3Å; R471-Y492 PolarHBondContact NH2-O 3.23Å; L472-Y492 HydrophobicContact CB-CD1 4.36Å; L472-Y492 HydrophobicContact CB-CD2 4.37Å; L472-Y492 HydrophobicContact CB-CG 4.01Å; L472-Y492 HydrophobicContact CD1-CD2 3.3Å; L472-Y492 HydrophobicContact CD1-CE2 3.63Å; L472-Y492 HydrophobicContact CD1-CG 3.84Å; L472-Y492 HydrophobicContact CG-CD2 4.43Å; Y475-Y492 WeakPolarHBondContact CB-OH 3.5Å; Y475-Y492 AromaticContact CD2-CE1 3.95Å; Y475-Y492 HydrophobicContact CD2-CE1 3.95Å; Y475-Y492 HydrophobicContact CG-CE1 4.38Å; D488-Y492 VanDerWaalsContact O-CD2 3.32Å; D488-Y492 WeakPolarHBondContact O-CD2 3.48Å; D488-Y492 PolarHBondContact O-N 2.92Å; L489-Y492 PolarHBondContact O-N 3.33Å; R490-Y492 PolarHBondContact O-N 3.12Å
493	G	90.1	Very high	86.6	Confident	39 Å²	39	52 Å²	52	40%	0.402	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	22.9	174.9	0	0	0	0	0	114.3	N468 L489 R490	N468-G493 PolarHBondContact ND2-O 3.26Å; L489-G493 PolarHBondContact O-N 3.04Å; R490-G493 PolarHBondContact O-N 3.38Å
494	I	92.3	Very high	86.5	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.274	C	S	.	.			trans	-93.3	119	175.7	-58.2	163.5	0	0	0	108	L465 N468 L469 L472 L489 T499	L465-I494 HydrophobicContact CD1-CG2 3.92Å; N468-I494 HydrophobicContact CB-CG1 3.72Å; L469-I494 HydrophobicContact CD2-CD1 3.76Å; L469-I494 HydrophobicContact CG-CD1 4.3Å; L472-I494 HydrophobicContact CB-CD1 4.2Å; L472-I494 HydrophobicContact CD2-CD1 3.81Å; L489-I494 HydrophobicContact CB-CB 4.23Å; L489-I494 HydrophobicContact CD2-CD1 4.12Å; L489-I494 WeakPolarHBondContact O-CB 3.39Å; L489-I494 PolarHBondContact O-N 3.08Å; I494-T499 HydrophobicContact CG2-CG2 3.9Å
495	D	87.2	Confident	86.1	Confident	85 Å²	85	54.6 Å²	54.6	46%	0.455	30%	0.296	S	S	.	.			trans	-77.3	139.9	173.8	-176.2	3.9	0	0	0	110	L497 Q498 T499	D495-L497 PolarHBondContact O-N 3.43Å; D495-L497 PolarHBondContact OD1-N 2.87Å; D495-Q498 HydrophobicContact CB-CB 4.45Å; D495-Q498 HydrophobicContact CB-CG 3.97Å; D495-Q498 WeakPolarHBondContact O-CA 2.85Å; D495-Q498 VanDerWaalsContact O-CB 3.31Å; D495-Q498 WeakPolarHBondContact O-CB 3.36Å; D495-Q498 PolarHBondContact O-N 3.36Å; D495-T499 PolarHBondContact O-N 3.29Å
496	L	84.5	Confident	85.7	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.168	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.6	-179.5	-64.6	179.1	0	0	0	111.6	E486 L489 Q498 T499	E486-L496 HydrophobicContact CB-CD1 4.44Å; E486-L496 HydrophobicContact CB-CD2 4.13Å; E486-L496 HydrophobicContact CG-CD1 4.25Å; E486-L496 HydrophobicContact CG-CD2 3.93Å; E486-L496 WeakPolarHBondContact OE2-CD1 3.32Å; L489-L496 HydrophobicContact CD1-CD2 4.24Å; L496-Q498 VanDerWaalsContact C-N 3.28Å; L496-Q498 PolarHBondContact O-N 3.23Å; L496-T499 WeakPolarHBondContact O-CB 3.4Å; L496-T499 PolarHBondContact O-N 3.22Å; L496-T499 VanDerWaalsContact O-N 3.16Å; L496-T499 PolarHBondContact O-OG1 3.14Å
497	L	82.1	Confident	85.6	Confident	125 Å²	125	51 Å²	51	65%	0.654	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.9	174	-67.3	174	0	0	0	112.1	D495 T499 Q500	D495-L497 PolarHBondContact O-N 3.43Å; D495-L497 PolarHBondContact OD1-N 2.87Å; L497-T499 VanDerWaalsContact C-N 3.26Å; L497-T499 PolarHBondContact O-N 3.15Å; L497-Q500 PolarHBondContact O-N 3.29Å
498	Q	79.3	Confident	85.7	Confident	36 Å²	36	44.3 Å²	44.3	17%	0.168	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-69.7	-24.7	176.5	-65.2	175.6	-23.5	0	0	112.2	L465 D495 L496 Q500 C501	L465-Q498 HydrophobicContact CD1-CB 3.91Å; L465-Q498 HydrophobicContact CD2-CB 4.2Å; D495-Q498 HydrophobicContact CB-CB 4.45Å; D495-Q498 HydrophobicContact CB-CG 3.97Å; D495-Q498 WeakPolarHBondContact O-CA 2.85Å; D495-Q498 VanDerWaalsContact O-CB 3.31Å; D495-Q498 WeakPolarHBondContact O-CB 3.36Å; D495-Q498 PolarHBondContact O-N 3.36Å; L496-Q498 VanDerWaalsContact C-N 3.28Å; L496-Q498 PolarHBondContact O-N 3.23Å; Q498-Q500 PolarHBondContact O-N 3.15Å; Q498-C501 PolarHBondContact O-N 3.36Å; Q498-C501 PolarHBondContact O-SG 3.26Å
499	T	78.3	Confident	85.4	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.055	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-67.9	-17.4	174.5	71.6	0	0	0	0	113	L489 I494 D495 L496 L497 G504 V505 L508 Y519	L489-T499 HydrophobicContact CD1-CG2 3.87Å; I494-T499 HydrophobicContact CG2-CG2 3.9Å; D495-T499 PolarHBondContact O-N 3.29Å; L496-T499 WeakPolarHBondContact O-CB 3.4Å; L496-T499 PolarHBondContact O-N 3.22Å; L496-T499 VanDerWaalsContact O-N 3.16Å; L496-T499 PolarHBondContact O-OG1 3.14Å; L497-T499 VanDerWaalsContact C-N 3.26Å; L497-T499 PolarHBondContact O-N 3.15Å; T499-G504 CarbonylContact O-C 3.53Å; T499-G504 VanDerWaalsContact O-C 3.31Å; T499-V505 PolarHBondContact O-N 3.18Å; T499-L508 HydrophobicContact CG2-CD1 4.24Å; T499-Y519 HydrophobicContact CG2-CE1 4.28Å
500	Q	79.4	Confident	85.1	Confident	121 Å²	121	48.9 Å²	48.9	57%	0.565	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-95	-3.6	179.3	-59.3	-168.3	-4.2	0	0	113.6	L497 Q498	L497-Q500 PolarHBondContact O-N 3.29Å; Q498-Q500 PolarHBondContact O-N 3.15Å
501	C	79.9	Confident	84.3	Confident	37 Å²	37	43.6 Å²	43.6	25%	0.25	25%	0.249	C	C	.	.	S	Bend	trans	-71.3	165.7	171.3	79.2	0	0	0	0	110.9	L465 Q498 L503 G504 V505	L465-C501 WeakPolarHBondContact CD2-SG 3.38Å; Q498-C501 PolarHBondContact O-N 3.36Å; Q498-C501 PolarHBondContact O-SG 3.26Å; C501-L503 VanDerWaalsContact C-N 3.29Å; C501-L503 PolarHBondContact O-N 3.5Å; C501-G504 WeakPolarHBondContact O-CA 3.28Å; C501-G504 PolarHBondContact O-N 2.95Å; C501-G504 PolarHBondContact SG-N 2.62Å; C501-G504 VanDerWaalsContact SG-N 3.36Å; C501-V505 WeakPolarHBondContact O-CG2 3.27Å; C501-V505 PolarHBondContact O-N 3.37Å
502	S	78	Confident	83.5	Confident	41 Å²	41	43.8 Å²	43.8	29%	0.287	24%	0.236	S	C	.	.	H	α-helix	trans	-52.4	-44.6	-179	53.2	0	0	0	0	113.6	K441 A442 G506	K441-S502 CarbonylContact O-C 3.32Å; K441-S502 VanDerWaalsContact O-C 3.28Å; K441-S502 VanDerWaalsContact O-CB 3.31Å; K441-S502 WeakPolarHBondContact O-CB 3.27Å; K441-S502 PolarHBondContact O-OG 2.61Å; A442-S502 PolarHBondContact O-OG 2.84Å; S502-G506 PolarHBondContact O-N 3.13Å
503	L	84	Confident	82.3	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-43.6	176.6	-178.2	62.6	0	0	0	111.5	K441 A442 N462 L465 L466 C501 G506 V507	K441-L503 HydrophobicContact CB-CD1 4.31Å; K441-L503 PolarHBondContact O-N 3.26Å; A442-L503 HydrophobicContact CB-CD1 4.31Å; N462-L503 HydrophobicContact CB-CD2 4.12Å; L465-L503 HydrophobicContact CD2-CB 4.49Å; L465-L503 HydrophobicContact CD2-CD2 4.35Å; L466-L503 HydrophobicContact CB-CD2 4.32Å; L466-L503 HydrophobicContact CD1-CD2 4.43Å; C501-L503 VanDerWaalsContact C-N 3.29Å; C501-L503 PolarHBondContact O-N 3.5Å; L503-G506 PolarHBondContact O-N 3.25Å; L503-V507 HydrophobicContact CD1-CG2 3.88Å; L503-V507 WeakPolarHBondContact O-CB 3.24Å; L503-V507 VanDerWaalsContact O-CG2 3.32Å; L503-V507 WeakPolarHBondContact O-CG2 3.46Å; L503-V507 PolarHBondContact O-N 3.34Å
504	G	84.4	Confident	81.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-52.2	177.7	0	0	0	0	0	112.1	T499 C501 G506 V507 L508	T499-G504 CarbonylContact O-C 3.53Å; T499-G504 VanDerWaalsContact O-C 3.31Å; C501-G504 WeakPolarHBondContact O-CA 3.28Å; C501-G504 PolarHBondContact O-N 2.95Å; C501-G504 PolarHBondContact SG-N 2.62Å; C501-G504 VanDerWaalsContact SG-N 3.36Å; G504-G506 VanDerWaalsContact C-N 3.3Å; G504-G506 PolarHBondContact O-N 2.89Å; G504-V507 PolarHBondContact O-N 3.48Å; G504-L508 WeakPolarHBondContact O-CB 3.48Å; G504-L508 PolarHBondContact O-N 3.28Å
505	V	81.3	Confident	80.1	Confident	79 Å²	79	48.7 Å²	48.7	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-30.1	178.9	178.1	0	0	0	0	112.1	T499 C501	T499-V505 PolarHBondContact O-N 3.18Å; C501-V505 WeakPolarHBondContact O-CG2 3.27Å; C501-V505 PolarHBondContact O-N 3.37Å
506	G	80	Confident	79.3	Confident	5 Å²	5	48.6 Å²	48.6	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-72.3	-30.6	177.1	0	0	0	0	0	114.2	S502 L503 G504 T522	S502-G506 PolarHBondContact O-N 3.13Å; L503-G506 PolarHBondContact O-N 3.25Å; G504-G506 VanDerWaalsContact C-N 3.3Å; G504-G506 PolarHBondContact O-N 2.89Å; G506-T522 PolarHBondContact O-OG1 3.18Å; G506-T522 VanDerWaalsContact O-OG1 3.04Å
507	V	88	Confident	79.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-104.5	-33.3	-172.7	172.5	0	0	0	0	112.8	L469 L503 G504 F521 T522 L526 L530	L469-V507 HydrophobicContact CD1-CG1 4.26Å; L503-V507 HydrophobicContact CD1-CG2 3.88Å; L503-V507 WeakPolarHBondContact O-CB 3.24Å; L503-V507 VanDerWaalsContact O-CG2 3.32Å; L503-V507 WeakPolarHBondContact O-CG2 3.46Å; L503-V507 PolarHBondContact O-N 3.34Å; G504-V507 PolarHBondContact O-N 3.48Å; V507-F521 HydrophobicContact CG1-CD1 3.74Å; V507-F521 HydrophobicContact CG1-CE1 3.95Å; V507-F521 WeakPolarHBondContact O-CA 3.18Å; V507-T522 PolarHBondContact O-N 3.32Å; V507-T522 PolarHBondContact O-OG1 2.61Å; V507-L526 HydrophobicContact CB-CD2 4.26Å; V507-L526 HydrophobicContact CG1-CD2 3.94Å; V507-L526 HydrophobicContact CG1-CG 4.42Å; V507-L526 HydrophobicContact CG2-CD2 4.35Å; V507-L530 HydrophobicContact CG1-CD1 3.49Å; V507-L530 VanDerWaalsContact CG1-CD1 3.49Å
508	L	89.7	Confident	79.3	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.1	178.6	-66.1	177.4	0	0	0	110.7	L469 L489 T499 G504 R520 F521	L469-L508 HydrophobicContact CD2-CD1 3.66Å; L469-L508 HydrophobicContact CD2-CD2 4.27Å; L469-L508 HydrophobicContact CD2-CG 4Å; L489-L508 HydrophobicContact CD2-CD1 4.49Å; T499-L508 HydrophobicContact CG2-CD1 4.24Å; G504-L508 WeakPolarHBondContact O-CB 3.48Å; G504-L508 PolarHBondContact O-N 3.28Å; L508-R520 CarbonylContact C-O 3.59Å; L508-R520 WeakPolarHBondContact CA-O 3.49Å; L508-F521 HydrophobicContact CD2-CD1 3.84Å; L508-F521 HydrophobicContact CD2-CE1 3.89Å; L508-F521 HydrophobicContact CD2-CG 4.2Å; L508-F521 HydrophobicContact CD2-CZ 4.3Å
509	V	85.7	Confident	79.8	Confident	32 Å²	32	41.7 Å²	41.7	19%	0.194	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.4	168.8	-178.5	0	0	0	0	108.4	Y519 R520	V509-Y519 WeakPolarHBondContact O-CA 3.43Å; V509-R520 HydrophobicContact CB-CG 4.03Å; V509-R520 PolarHBondContact N-O 2.99Å; V509-R520 PolarHBondContact O-N 2.96Å; V509-R520 VanDerWaalsContact O-N 3.07Å
510	R	85.3	Confident	80.3	Confident	100 Å²	100	44.8 Å²	44.8	38%	0.377	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.8	174.5	-176.9	177.9	178.4	-142.5	-12.8	109.5	E512 T517 Y519	R510-E512 IonicContact CZ-OE1 3.69Å; R510-E512 IonicContact NE-OE1 2.74Å; R510-E512 IonicContact NH1-OE1 3.6Å; R510-E512 PolarHBondContact NH1-OE1 3.28Å; R510-E512 IonicContact NH2-OE1 3.82Å; R510-E512 PolarHBondContact NH2-OE1 3.04Å; R510-T517 HydrophobicContact CG-CG2 3.98Å; R510-Y519 HydrophobicContact CB-CD1 4.19Å; R510-Y519 HydrophobicContact CB-CE1 4.01Å; R510-Y519 HydrophobicContact CG-CD1 4.34Å; R510-Y519 HydrophobicContact CG-CE1 3.84Å
511	T	76.8	Confident	80.8	Confident	38 Å²	38	39.4 Å²	39.4	23%	0.233	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.5	176.4	-48.4	0	0	0	0	108.7	T518	T511-T518 PolarHBondContact N-O 3.07Å; T511-T518 PolarHBondContact O-N 3.27Å
512	E	74.7	Confident	81.2	Confident	82 Å²	82	38.1 Å²	38.1	38%	0.383	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.2	176.4	-67.6	173.1	154.5	0	0	108.2	R150 R510	R150-E512 IonicContact CZ-OE2 3.14Å; R150-E512 IonicContact NH1-OE2 3.59Å; R150-E512 PolarHBondContact NH1-OE2 2.85Å; R150-E512 IonicContact NH2-OE2 3.35Å; R150-E512 PolarHBondContact NH2-OE2 2.58Å; R510-E512 IonicContact CZ-OE1 3.69Å; R510-E512 IonicContact NE-OE1 2.74Å; R510-E512 IonicContact NH1-OE1 3.6Å; R510-E512 PolarHBondContact NH1-OE1 3.28Å; R510-E512 IonicContact NH2-OE1 3.82Å; R510-E512 PolarHBondContact NH2-OE1 3.04Å
513	S	68.3	Low	81.8	Confident	30 Å²	30	36.6 Å²	36.6	21%	0.21	19%	0.191	C	C	.	.			trans	-114.5	174.4	172.5	73.4	0	0	0	0	110.6	E257 I515 H516	E257-S513 VanDerWaalsContact CD-CB 3.43Å; S513-I515 PolarHBondContact O-N 3.41Å; S513-I515 PolarHBondContact OG-N 3.26Å; S513-H516 PolarHBondContact N-O 3.45Å; S513-H516 PolarHBondContact OG-N 2.99Å; S513-H516 PolarHBondContact OG-O 2.95Å
514	T	65.6	Low	82.1	Confident	119 Å²	119	37.6 Å²	37.6	73%	0.73	20%	0.196	S	C	*	.	S	Bend	trans	-69.5	-18.1	173.1	50.5	0	0	0	0	113
515	I	69.3	Low	82.5	Confident	42 Å²	42	37.8 Å²	37.8	22%	0.215	20%	0.197	C	C	.	.	S	Bend	trans	-102.9	-50.3	-173	-55.1	171.1	0	0	0	111	L261 M272 S513	L261-I515 HydrophobicContact CD1-CD1 4.39Å; L261-I515 HydrophobicContact CD1-CG2 4.49Å; L261-I515 HydrophobicContact CD2-CG2 3.98Å; L261-I515 HydrophobicContact CG-CG2 4.25Å; M272-I515 HydrophobicContact CE-CD1 3.89Å; M272-I515 HydrophobicContact CE-CG1 4.18Å; S513-I515 PolarHBondContact O-N 3.41Å; S513-I515 PolarHBondContact OG-N 3.26Å
516	H	71.6	Confident	83.1	Confident	84 Å²	84	34 Å²	34	39%	0.389	17%	0.174	S	C	.	.			trans	-154.6	154.1	-176.3	-141.9	69.2	0	0	0	113.4	S513	S513-H516 PolarHBondContact N-O 3.45Å; S513-H516 PolarHBondContact OG-N 2.99Å; S513-H516 PolarHBondContact OG-O 2.95Å
517	T	81.8	Confident	83.8	Confident	27 Å²	27	33.9 Å²	33.9	17%	0.166	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.1	169.1	-54.2	0	0	0	0	109.4	R510 Y519	R510-T517 HydrophobicContact CG-CG2 3.98Å; T517-Y519 HydrophobicContact CG2-CD2 4.5Å; T517-Y519 HydrophobicContact CG2-CE2 3.78Å
518	T	85.3	Confident	84.2	Confident	15 Å²	15	34 Å²	34	9%	0.092	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.5	177.4	60.8	0	0	0	0	111.4	T511	T511-T518 PolarHBondContact N-O 3.07Å; T511-T518 PolarHBondContact O-N 3.27Å
519	Y	87.8	Confident	84.5	Confident	5 Å²	5	33.7 Å²	33.7	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.1	177.8	-64.4	-99.1	0	0	0	109.5	T483 F484 E486 L489 T499 V509 R510 T517	T483-Y519 CarbonylContact C-O 3.53Å; F484-Y519 WeakPolarHBondContact CD2-O 3.35Å; F484-Y519 PolarHBondContact N-O 3.32Å; F484-Y519 PolarHBondContact O-N 3.28Å; E486-Y519 HydrophobicContact CG-CE2 3.77Å; L489-Y519 HydrophobicContact CD1-CD1 3.78Å; L489-Y519 HydrophobicContact CD1-CD2 3.66Å; L489-Y519 HydrophobicContact CD1-CE1 3.94Å; L489-Y519 HydrophobicContact CD1-CE2 3.87Å; L489-Y519 HydrophobicContact CD1-CG 3.62Å; L489-Y519 HydrophobicContact CG-CD2 4.42Å; L489-Y519 HydrophobicContact CG-CG 4.49Å; T499-Y519 HydrophobicContact CG2-CE1 4.28Å; V509-Y519 WeakPolarHBondContact O-CA 3.43Å; R510-Y519 HydrophobicContact CB-CD1 4.19Å; R510-Y519 HydrophobicContact CB-CE1 4.01Å; R510-Y519 HydrophobicContact CG-CD1 4.34Å; R510-Y519 HydrophobicContact CG-CE1 3.84Å; T517-Y519 HydrophobicContact CG2-CD2 4.5Å; T517-Y519 HydrophobicContact CG2-CE2 3.78Å
520	R	88.8	Confident	85.1	Confident	74 Å²	74	32.2 Å²	32.2	28%	0.279	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.3	174	59.1	-174.5	175.1	83.4	-2.7	109.6	L508 V509	L508-R520 CarbonylContact C-O 3.59Å; L508-R520 WeakPolarHBondContact CA-O 3.49Å; V509-R520 HydrophobicContact CB-CG 4.03Å; V509-R520 PolarHBondContact N-O 2.99Å; V509-R520 PolarHBondContact O-N 2.96Å; V509-R520 VanDerWaalsContact O-N 3.07Å
521	F	91.8	Very high	85.6	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.035	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	149.3	168.6	-69.4	-81.5	0	0	0	109.8	L469 L472 A473 F484 V507 L508 H523 Q527 L530	L469-F521 HydrophobicContact CD2-CE1 4.36Å; L472-F521 HydrophobicContact CD2-CE2 4.44Å; L472-F521 HydrophobicContact CD2-CZ 4.19Å; L472-F521 HydrophobicContact CG-CZ 4.49Å; A473-F521 HydrophobicContact CB-CE1 4.48Å; A473-F521 HydrophobicContact CB-CE2 4.11Å; A473-F521 HydrophobicContact CB-CZ 3.77Å; F484-F521 AromaticContact CE2-CD2 3.73Å; F484-F521 HydrophobicContact CE2-CD2 3.73Å; F484-F521 AromaticContact CE2-CE2 3.57Å; F484-F521 HydrophobicContact CE2-CE2 3.57Å; F484-F521 HydrophobicContact CZ-CD2 4.34Å; F484-F521 AromaticContact CZ-CE2 3.92Å; F484-F521 HydrophobicContact CZ-CE2 3.92Å; V507-F521 HydrophobicContact CG1-CD1 3.74Å; V507-F521 HydrophobicContact CG1-CE1 3.95Å; V507-F521 WeakPolarHBondContact O-CA 3.18Å; L508-F521 HydrophobicContact CD2-CD1 3.84Å; L508-F521 HydrophobicContact CD2-CE1 3.89Å; L508-F521 HydrophobicContact CD2-CG 4.2Å; L508-F521 HydrophobicContact CD2-CZ 4.3Å; F521-H523 PolarHBondContact O-N 3.01Å; F521-H523 VanDerWaalsContact O-N 3.11Å; F521-Q527 HydrophobicContact CB-CB 4.14Å; F521-Q527 HydrophobicContact CD2-CB 3.54Å; F521-Q527 HydrophobicContact CD2-CG 3.55Å; F521-Q527 HydrophobicContact CE2-CB 4.08Å; F521-Q527 HydrophobicContact CE2-CG 3.64Å; F521-Q527 HydrophobicContact CG-CB 3.82Å; F521-Q527 HydrophobicContact CG-CG 4.31Å; F521-Q527 HydrophobicContact CZ-CG 4.45Å; F521-L530 HydrophobicContact CD1-CD1 3.95Å; F521-L530 HydrophobicContact CE1-CD1 3.59Å
522	T	88.3	Confident	86.6	Confident	10 Å²	10	25.6 Å²	25.6	6%	0.061	13%	0.133	C	C	.	.	S	Bend	trans	-50.4	-38.3	178.9	-56.3	0	0	0	0	112	W408 M409 G506 V507	W408-T522 HydrophobicContact CZ3-CG2 4.3Å; M409-T522 HydrophobicContact SD-CG2 4.44Å; G506-T522 PolarHBondContact O-OG1 3.18Å; G506-T522 VanDerWaalsContact O-OG1 3.04Å; V507-T522 PolarHBondContact O-N 3.32Å; V507-T522 PolarHBondContact O-OG1 2.61Å
523	H	89.4	Confident	87.6	Confident	10 Å²	10	22 Å²	22	5%	0.046	12%	0.116	C	C	.	.	S	Bend	trans	-150.4	155.1	171.3	-166.7	-95.7	0	0	0	110.7	A223 G224 M409 F521 T525 L526 Q527	A223-H523 VanDerWaalsContact C-NE2 3.25Å; A223-H523 PolarHBondContact O-NE2 3.35Å; A223-H523 VanDerWaalsContact O-NE2 3.16Å; G224-H523 PolarHBondContact N-NE2 3.06Å; M409-H523 HydrophobicContact SD-CB 4.13Å; F521-H523 PolarHBondContact O-N 3.01Å; F521-H523 VanDerWaalsContact O-N 3.11Å; H523-T525 VanDerWaalsContact C-N 3.3Å; H523-T525 PolarHBondContact ND1-N 3.02Å; H523-T525 PolarHBondContact ND1-OG1 3.29Å; H523-T525 PolarHBondContact O-N 3Å; H523-L526 WeakPolarHBondContact O-CB 3.33Å; H523-L526 PolarHBondContact O-N 3.42Å; H523-Q527 PolarHBondContact O-N 3.41Å
524	L	89.6	Confident	88.8	Confident	21 Å²	21	21.9 Å²	21.9	11%	0.11	11%	0.112	C	C	.	.	H	α-helix	trans	-55.3	-43.8	178.4	175.4	61.6	0	0	0	112.5	A223 Y482 L526 Q527 E528	A223-L524 HydrophobicContact CB-CB 4.2Å; Y482-L524 HydrophobicContact CD1-CD1 3.55Å; Y482-L524 HydrophobicContact CE1-CD1 3.4Å; L524-L526 PolarHBondContact O-N 2.98Å; L524-Q527 WeakPolarHBondContact O-CA 3.23Å; L524-Q527 VanDerWaalsContact O-CB 3.23Å; L524-Q527 WeakPolarHBondContact O-CB 3.43Å; L524-Q527 PolarHBondContact O-N 3.49Å; L524-E528 PolarHBondContact O-N 3.34Å
525	T	93.3	Very high	90.2	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-27.2	177.8	55.8	0	0	0	0	113.6	L181 I406 Y434 H523 E528 F529 L580 F584	L181-T525 HydrophobicContact CD1-CG2 4.06Å; L181-T525 HydrophobicContact CG-CG2 4.3Å; I406-T525 HydrophobicContact CD1-CG2 4.22Å; Y434-T525 VanDerWaalsContact CZ-OG1 3.29Å; Y434-T525 WeakPolarHBondContact OH-CB 3.29Å; Y434-T525 PolarHBondContact OH-OG1 2.97Å; H523-T525 VanDerWaalsContact C-N 3.3Å; H523-T525 PolarHBondContact ND1-N 3.02Å; H523-T525 PolarHBondContact ND1-OG1 3.29Å; H523-T525 PolarHBondContact O-N 3Å; T525-E528 VanDerWaalsContact CA-OE2 3.27Å; T525-E528 WeakPolarHBondContact CA-OE2 3.5Å; T525-F529 WeakPolarHBondContact O-CB 3.41Å; T525-F529 PolarHBondContact O-N 2.87Å; T525-L580 HydrophobicContact CG2-CD2 3.53Å; T525-F584 VanDerWaalsContact O-CE2 3.29Å; T525-F584 WeakPolarHBondContact O-CE2 3.38Å
526	L	94.5	Very high	91.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-72.8	-38	173.5	-177.5	63.1	0	0	0	111.1	Y434 F437 V507 H523 L524 F529 L530	Y434-L526 HydrophobicContact CD1-CB 4.35Å; Y434-L526 HydrophobicContact CD1-CD1 3.77Å; Y434-L526 HydrophobicContact CE1-CB 4.1Å; Y434-L526 HydrophobicContact CE1-CD1 4.33Å; F437-L526 HydrophobicContact CD1-CD1 4.1Å; F437-L526 HydrophobicContact CE1-CD1 4.29Å; F437-L526 HydrophobicContact CE1-CD2 3.88Å; V507-L526 HydrophobicContact CB-CD2 4.26Å; V507-L526 HydrophobicContact CG1-CD2 3.94Å; V507-L526 HydrophobicContact CG1-CG 4.42Å; V507-L526 HydrophobicContact CG2-CD2 4.35Å; H523-L526 WeakPolarHBondContact O-CB 3.33Å; H523-L526 PolarHBondContact O-N 3.42Å; L524-L526 PolarHBondContact O-N 2.98Å; L526-F529 HydrophobicContact CD1-CD1 4.4Å; L526-F529 PolarHBondContact O-N 3.31Å; L526-L530 HydrophobicContact CD1-CD1 4.48Å; L526-L530 HydrophobicContact CD1-CG 4.46Å; L526-L530 HydrophobicContact CG-CD1 4.25Å; L526-L530 WeakPolarHBondContact O-CB 3.33Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.37Å; L526-L530 PolarHBondContact O-N 3.48Å
527	Q	95.3	Very high	92.2	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-59.9	-47.3	171.3	-176.1	177.7	-12.3	0	0	110.3	A473 S476 K481 F521 H523 L524 F529 L530 A531	A473-Q527 HydrophobicContact CB-CG 3.8Å; A473-Q527 WeakPolarHBondContact CB-O 3.28Å; S476-Q527 PolarHBondContact OG-NE2 3.49Å; K481-Q527 PolarHBondContact O-NE2 3.39Å; K481-Q527 VanDerWaalsContact O-NE2 3.14Å; F521-Q527 HydrophobicContact CB-CB 4.14Å; F521-Q527 HydrophobicContact CD2-CB 3.54Å; F521-Q527 HydrophobicContact CD2-CG 3.55Å; F521-Q527 HydrophobicContact CE2-CB 4.08Å; F521-Q527 HydrophobicContact CE2-CG 3.64Å; F521-Q527 HydrophobicContact CG-CB 3.82Å; F521-Q527 HydrophobicContact CG-CG 4.31Å; F521-Q527 HydrophobicContact CZ-CG 4.45Å; H523-Q527 PolarHBondContact O-N 3.41Å; L524-Q527 WeakPolarHBondContact O-CA 3.23Å; L524-Q527 VanDerWaalsContact O-CB 3.23Å; L524-Q527 WeakPolarHBondContact O-CB 3.43Å; L524-Q527 PolarHBondContact O-N 3.49Å; Q527-F529 VanDerWaalsContact C-N 3.34Å; Q527-F529 PolarHBondContact O-N 3.02Å; Q527-L530 PolarHBondContact O-N 2.93Å; Q527-A531 WeakPolarHBondContact O-CB 3.47Å; Q527-A531 PolarHBondContact O-N 2.82Å
528	E	95.8	Very high	92.6	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.064	C	C	.	.	H	α-helix	trans	-63	-39	178.9	-65.1	170.9	105	0	0	112.5	H179 L477 L524 T525 A531 A532 L580 F584	H179-E528 IonicContact CD2-OE1 3.79Å; H179-E528 IonicContact NE2-OE1 3.34Å; H179-E528 PolarHBondContact NE2-OE1 3.44Å; H179-E528 IonicContact NE2-OE2 3.91Å; H179-E528 PolarHBondContact NE2-OE2 2.9Å; L477-E528 HydrophobicContact CD1-CG 4.02Å; L477-E528 HydrophobicContact CD2-CG 4.18Å; L524-E528 PolarHBondContact O-N 3.34Å; T525-E528 VanDerWaalsContact CA-OE2 3.27Å; T525-E528 WeakPolarHBondContact CA-OE2 3.5Å; E528-A531 WeakPolarHBondContact O-CB 3.26Å; E528-A531 PolarHBondContact O-N 3.18Å; E528-A532 PolarHBondContact O-N 3.47Å; E528-L580 VanDerWaalsContact OE2-CD2 3.28Å; E528-L580 WeakPolarHBondContact OE2-CD2 3.48Å; E528-F584 HydrophobicContact CB-CD2 4.18Å; E528-F584 HydrophobicContact CB-CE2 4.03Å
529	F	96.8	Very high	92.9	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.009	6%	0.06	C	C	.	.	H	α-helix	trans	-64.1	-45.4	174.5	172.7	-102.9	0	0	0	112.6	T431 Y434 A435 T525 L526 Q527 A531 A532 T533 F584 L588 L597	T431-F529 HydrophobicContact CG2-CD2 4.23Å; T431-F529 HydrophobicContact CG2-CE2 3.81Å; Y434-F529 VanDerWaalsContact CB-CG 3.49Å; Y434-F529 HydrophobicContact CD1-CB 4.38Å; Y434-F529 HydrophobicContact CG-CB 4.2Å; Y434-F529 HydrophobicContact CG-CD1 4.49Å; Y434-F529 HydrophobicContact CG-CD2 4.4Å; Y434-F529 HydrophobicContact CG-CG 4.11Å; A435-F529 HydrophobicContact CB-CZ 4.11Å; T525-F529 WeakPolarHBondContact O-CB 3.41Å; T525-F529 PolarHBondContact O-N 2.87Å; L526-F529 HydrophobicContact CD1-CD1 4.4Å; L526-F529 PolarHBondContact O-N 3.31Å; Q527-F529 VanDerWaalsContact C-N 3.34Å; Q527-F529 PolarHBondContact O-N 3.02Å; F529-A531 VanDerWaalsContact C-N 3.33Å; F529-A532 PolarHBondContact O-N 3.16Å; F529-T533 PolarHBondContact O-N 2.91Å; F529-T533 PolarHBondContact O-OG1 2.95Å; F529-F584 VanDerWaalsContact CA-CD2 3.45Å; F529-F584 HydrophobicContact CB-CD1 4.32Å; F529-F584 HydrophobicContact CB-CD2 3.87Å; F529-F584 HydrophobicContact CB-CE1 4.2Å; F529-F584 HydrophobicContact CB-CE2 3.73Å; F529-F584 HydrophobicContact CB-CG 4.15Å; F529-F584 HydrophobicContact CB-CZ 3.91Å; F529-F584 HydrophobicContact CD2-CB 4.32Å; F529-F584 AromaticContact CD2-CD1 3.7Å; F529-F584 HydrophobicContact CD2-CD1 3.7Å; F529-F584 HydrophobicContact CD2-CE1 4.01Å; F529-F584 AromaticContact CD2-CG 3.98Å; F529-F584 HydrophobicContact CD2-CG 3.98Å; F529-F584 HydrophobicContact CG-CD1 4.5Å; F529-L588 HydrophobicContact CE2-CD2 4.27Å; F529-L597 HydrophobicContact CZ-CD1 4.12Å
530	L	96.7	Very high	92.9	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-68	-35.3	178.5	-70.1	174.1	0	0	0	111.9	L466 G470 A473 V507 F521 L526 Q527 T533 F534	L466-L530 HydrophobicContact CD1-CD2 3.46Å; L466-L530 VanDerWaalsContact CD1-CD2 3.46Å; L466-L530 HydrophobicContact CG-CD2 4.37Å; G470-L530 WeakPolarHBondContact CA-O 3.36Å; A473-L530 HydrophobicContact CB-CB 3.96Å; V507-L530 HydrophobicContact CG1-CD1 3.49Å; V507-L530 VanDerWaalsContact CG1-CD1 3.49Å; F521-L530 HydrophobicContact CD1-CD1 3.95Å; F521-L530 HydrophobicContact CE1-CD1 3.59Å; L526-L530 HydrophobicContact CD1-CD1 4.48Å; L526-L530 HydrophobicContact CD1-CG 4.46Å; L526-L530 HydrophobicContact CG-CD1 4.25Å; L526-L530 WeakPolarHBondContact O-CB 3.33Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.37Å; L526-L530 PolarHBondContact O-N 3.48Å; Q527-L530 PolarHBondContact O-N 2.93Å; L530-T533 PolarHBondContact O-N 3.32Å; L530-F534 PolarHBondContact O-N 3.09Å
531	A	97.3	Very high	92.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-47.9	170.9	0	0	0	0	0	111.3	A473 F474 L477 Q527 E528 F529 T533 F534 Y535 F581	A473-A531 HydrophobicContact CB-CB 4.21Å; F474-A531 HydrophobicContact CB-CB 3.93Å; F474-A531 HydrophobicContact CD2-CB 4.24Å; L477-A531 HydrophobicContact CD2-CB 4.23Å; Q527-A531 WeakPolarHBondContact O-CB 3.47Å; Q527-A531 PolarHBondContact O-N 2.82Å; E528-A531 WeakPolarHBondContact O-CB 3.26Å; E528-A531 PolarHBondContact O-N 3.18Å; F529-A531 VanDerWaalsContact C-N 3.33Å; A531-T533 VanDerWaalsContact C-N 3.32Å; A531-T533 PolarHBondContact O-N 3.22Å; A531-F534 PolarHBondContact O-N 2.85Å; A531-Y535 WeakPolarHBondContact O-CB 3.39Å; A531-Y535 PolarHBondContact O-N 3.02Å; A531-F581 HydrophobicContact CB-CD2 4.01Å; A531-F581 HydrophobicContact CB-CE2 4.28Å
532	A	97.1	Very high	92.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-39	176.5	0	0	0	0	0	112.3	E528 F529 Y535 H536 F581 F584 L585 L588	E528-A532 PolarHBondContact O-N 3.47Å; F529-A532 PolarHBondContact O-N 3.16Å; A532-Y535 PolarHBondContact O-N 3.23Å; A532-H536 WeakPolarHBondContact O-CB 3.39Å; A532-H536 PolarHBondContact O-N 3.36Å; A532-F581 VanDerWaalsContact CA-CE2 3.45Å; A532-F581 HydrophobicContact CB-CD2 3.87Å; A532-F581 HydrophobicContact CB-CE2 4.07Å; A532-F584 HydrophobicContact CB-CB 3.52Å; A532-L585 HydrophobicContact CB-CB 4.29Å; A532-L588 HydrophobicContact CB-CD1 4.18Å
533	T	95.1	Very high	92.4	Very high	6 Å²	6	27.6 Å²	27.6	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-47	175.9	-57.9	0	0	0	0	111.5	F529 L530 A531 H536 V537 L601	F529-T533 PolarHBondContact O-N 2.91Å; F529-T533 PolarHBondContact O-OG1 2.95Å; L530-T533 PolarHBondContact O-N 3.32Å; A531-T533 VanDerWaalsContact C-N 3.32Å; A531-T533 PolarHBondContact O-N 3.22Å; T533-H536 PolarHBondContact O-N 2.99Å; T533-V537 WeakPolarHBondContact O-CG2 3.48Å; T533-V537 PolarHBondContact O-N 3.43Å; T533-V537 VanDerWaalsContact O-N 3.13Å; T533-L601 HydrophobicContact CG2-CD1 3.7Å; T533-L601 HydrophobicContact CG2-CD2 3.82Å; T533-L601 HydrophobicContact CG2-CG 4.37Å
534	F	94.8	Very high	92.2	Very high	28 Å²	28	31.6 Å²	31.6	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-45.1	174.8	167.7	-99	0	0	0	112	G470 R471 F474 Y475 L530 A531 V537 S538	G470-F534 WeakPolarHBondContact O-CB 3.32Å; R471-F534 HydrophobicContact CB-CD2 3.77Å; R471-F534 HydrophobicContact CB-CE2 3.62Å; R471-F534 HydrophobicContact CB-CG 4.36Å; R471-F534 HydrophobicContact CB-CZ 4.1Å; R471-F534 HydrophobicContact CG-CD2 4.38Å; R471-F534 HydrophobicContact CG-CE1 4.43Å; R471-F534 HydrophobicContact CG-CE2 3.76Å; R471-F534 HydrophobicContact CG-CZ 3.79Å; F474-F534 HydrophobicContact CB-CD1 3.65Å; F474-F534 HydrophobicContact CB-CE1 4.21Å; F474-F534 HydrophobicContact CD1-CD1 4.08Å; F474-F534 AromaticContact CD1-CE1 3.89Å; F474-F534 HydrophobicContact CD1-CE1 3.89Å; F474-F534 AromaticContact CG-CD1 3.91Å; F474-F534 HydrophobicContact CG-CD1 3.91Å; F474-F534 HydrophobicContact CG-CE1 4.21Å; Y475-F534 HydrophobicContact CE2-CE1 4.33Å; Y475-F534 HydrophobicContact CE2-CZ 4.36Å; L530-F534 PolarHBondContact O-N 3.09Å; A531-F534 PolarHBondContact O-N 2.85Å; F534-V537 PolarHBondContact O-N 3.3Å; F534-S538 WeakPolarHBondContact CD2-OG 3.49Å; F534-S538 WeakPolarHBondContact CE2-OG 3.39Å; F534-S538 WeakPolarHBondContact CZ-OG 3.28Å; F534-S538 WeakPolarHBondContact O-CB 3.36Å; F534-S538 PolarHBondContact O-N 2.94Å; F534-S538 PolarHBondContact O-OG 3.39Å
535	Y	94.9	Very high	92.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-44.1	178.9	-166	-87.8	0	0	0	111.3	F474 A531 A532 V537 S538 S539 L546 F547 H562 A566 F581 L585	F474-Y535 HydrophobicContact CD2-CD2 4.24Å; F474-Y535 HydrophobicContact CE1-CD2 4.42Å; F474-Y535 AromaticContact CE2-CD2 3.52Å; F474-Y535 HydrophobicContact CE2-CD2 3.52Å; F474-Y535 HydrophobicContact CE2-CE2 4.14Å; F474-Y535 HydrophobicContact CE2-CG 4.41Å; F474-Y535 AromaticContact CZ-CD2 3.62Å; F474-Y535 HydrophobicContact CZ-CD2 3.62Å; F474-Y535 AromaticContact CZ-CE2 3.93Å; F474-Y535 HydrophobicContact CZ-CE2 3.93Å; A531-Y535 WeakPolarHBondContact O-CB 3.39Å; A531-Y535 PolarHBondContact O-N 3.02Å; A532-Y535 PolarHBondContact O-N 3.23Å; Y535-V537 PolarHBondContact O-N 2.98Å; Y535-S538 PolarHBondContact O-N 3.3Å; Y535-S539 WeakPolarHBondContact O-CB 3.33Å; Y535-S539 PolarHBondContact O-N 3.07Å; Y535-S539 PolarHBondContact O-OG 2.98Å; Y535-L546 HydrophobicContact CD2-CB 4.04Å; Y535-L546 HydrophobicContact CD2-CD1 3.74Å; Y535-L546 HydrophobicContact CE2-CB 3.66Å; Y535-L546 HydrophobicContact CE2-CD1 3.86Å; Y535-L546 HydrophobicContact CE2-CG 4.33Å; Y535-L546 HydrophobicContact CG-CD1 4.26Å; Y535-F547 HydrophobicContact CD2-CE2 4.26Å; Y535-F547 AromaticContact CE2-CD2 3.74Å; Y535-F547 HydrophobicContact CE2-CD2 3.74Å; Y535-F547 AromaticContact CE2-CE2 3.37Å; Y535-F547 HydrophobicContact CE2-CE2 3.37Å; Y535-F547 HydrophobicContact CE2-CZ 4.3Å; Y535-F547 AromaticContact CZ-CE2 3.72Å; Y535-H562 HydrophobicContact CE1-CB 3.95Å; Y535-H562 PolarHBondContact OH-O 3.4Å; Y535-A566 HydrophobicContact CE1-CB 4.07Å; Y535-F581 HydrophobicContact CD1-CZ 4.15Å; Y535-F581 AromaticContact CD2-CZ 3.91Å; Y535-F581 HydrophobicContact CD2-CZ 3.91Å; Y535-F581 HydrophobicContact CG-CE2 4.31Å; Y535-F581 AromaticContact CG-CZ 3.68Å; Y535-F581 HydrophobicContact CG-CZ 3.68Å; Y535-L585 HydrophobicContact CD1-CD1 4Å; Y535-L585 HydrophobicContact CD1-CD2 3.8Å; Y535-L585 HydrophobicContact CE1-CD2 4.06Å
536	H	92.4	Very high	91.9	Very high	3 Å²	3	32.2 Å²	32.2	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-45.2	177.5	177.8	86.9	0	0	0	112.3	A532 T533 S539 K540 F559 L585 L588	A532-H536 WeakPolarHBondContact O-CB 3.39Å; A532-H536 PolarHBondContact O-N 3.36Å; T533-H536 PolarHBondContact O-N 2.99Å; H536-S539 PolarHBondContact O-OG 2.86Å; H536-K540 VanDerWaalsContact NE2-CE 3.29Å; H536-K540 WeakPolarHBondContact NE2-CE 3.49Å; H536-K540 PolarHBondContact NE2-NZ 3.38Å; H536-F559 AromaticContact ND1-CE2 3.67Å; H536-F559 AromaticContact ND1-CZ 3.87Å; H536-L585 HydrophobicContact CB-CD1 3.87Å; H536-L588 HydrophobicContact CB-CD1 3.98Å
537	V	90.2	Very high	91.6	Very high	44 Å²	44	33.5 Å²	33.5	27%	0.267	16%	0.157	S	C	.	.	H	α-helix	trans	-72.5	-45.9	-179.8	175.6	0	0	0	0	111.3	T533 F534 Y535 L601 L603	T533-V537 WeakPolarHBondContact O-CG2 3.48Å; T533-V537 PolarHBondContact O-N 3.43Å; T533-V537 VanDerWaalsContact O-N 3.13Å; F534-V537 PolarHBondContact O-N 3.3Å; Y535-V537 PolarHBondContact O-N 2.98Å; V537-L601 HydrophobicContact CG2-CD1 4.36Å; V537-L601 HydrophobicContact CG2-CD2 4.18Å; V537-L603 HydrophobicContact CG2-CD2 4.43Å
538	S	90.6	Very high	90.9	Very high	29 Å²	29	35.1 Å²	35.1	20%	0.203	17%	0.169	C	C	.	.	H	α-helix	trans	-70.3	-38.4	-174.6	-62.1	0	0	0	0	112.7	F534 Y535 K540 R541 A542	F534-S538 WeakPolarHBondContact CD2-OG 3.49Å; F534-S538 WeakPolarHBondContact CE2-OG 3.39Å; F534-S538 WeakPolarHBondContact CZ-OG 3.28Å; F534-S538 WeakPolarHBondContact O-CB 3.36Å; F534-S538 PolarHBondContact O-N 2.94Å; F534-S538 PolarHBondContact O-OG 3.39Å; Y535-S538 PolarHBondContact O-N 3.3Å; S538-K540 PolarHBondContact O-N 3Å; S538-K540 VanDerWaalsContact O-N 3.15Å; S538-R541 PolarHBondContact O-N 2.98Å; S538-A542 WeakPolarHBondContact O-CB 3.31Å; S538-A542 PolarHBondContact O-N 3.44Å
539	S	91	Very high	89.4	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.1	-178.8	54.5	0	0	0	0	114.5	Y535 H536 R541 F559 H562	Y535-S539 WeakPolarHBondContact O-CB 3.33Å; Y535-S539 PolarHBondContact O-N 3.07Å; Y535-S539 PolarHBondContact O-OG 2.98Å; H536-S539 PolarHBondContact O-OG 2.86Å; S539-R541 PolarHBondContact O-N 3.36Å; S539-F559 VanDerWaalsContact OG-CD2 3.22Å; S539-F559 WeakPolarHBondContact OG-CD2 3.46Å; S539-H562 VanDerWaalsContact CB-CB 3.47Å; S539-H562 PolarHBondContact O-CD2 2.96Å; S539-H562 VanDerWaalsContact O-CD2 3.25Å
540	K	87.5	Confident	87.6	Confident	93 Å²	93	45.1 Å²	45.1	40%	0.404	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.2	174.1	-64.9	-179.2	-173.1	-178.3	0	112.9	H536 S538 F559	H536-K540 VanDerWaalsContact NE2-CE 3.29Å; H536-K540 WeakPolarHBondContact NE2-CE 3.49Å; H536-K540 PolarHBondContact NE2-NZ 3.38Å; S538-K540 PolarHBondContact O-N 3Å; S538-K540 VanDerWaalsContact O-N 3.15Å; K540-F559 HydrophobicContact CG-CB 4.48Å; K540-F559 HydrophobicContact CG-CD2 4.22Å
541	R	87.1	Confident	85.5	Confident	212 Å²	212	50.3 Å²	50.3	80%	0.8	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-15	-176.3	-58.9	-179.1	-175.4	176.1	1.4	113.4	S538 S539	S538-R541 PolarHBondContact O-N 2.98Å; S539-R541 PolarHBondContact O-N 3.36Å
542	A	86.8	Confident	83.6	Confident	20 Å²	20	58.1 Å²	58.1	17%	0.165	29%	0.293	C	S	.	.			trans	-70.9	132.6	-177.8	0	0	0	0	0	111.9	S538 L546 H562	S538-A542 WeakPolarHBondContact O-CB 3.31Å; S538-A542 PolarHBondContact O-N 3.44Å; A542-L546 HydrophobicContact CB-CD1 4.44Å; A542-L546 HydrophobicContact CB-CD2 4.03Å; A542-L546 HydrophobicContact CB-CG 4.12Å; A542-H562 PolarHBondContact O-NE2 3.48Å; A542-H562 VanDerWaalsContact O-NE2 3.17Å
543	I	84.1	Confident	82.4	Confident	103 Å²	103	59.2 Å²	59.2	53%	0.528	30%	0.301	S	S	.	.	S	Bend	trans	-87.6	-35.1	174.3	-59.7	172.5	0	0	0	110.6	P555 K556	I543-P555 HydrophobicContact CG2-CB 4.39Å; I543-P555 CarbonylContact O-C 3.45Å; I543-P555 WeakPolarHBondContact O-CA 3.46Å; I543-K556 CarbonylContact O-C 3.49Å; I543-K556 PolarHBondContact O-N 2.83Å
544	F	86.2	Confident	81.1	Confident	93 Å²	93	70 Å²	70	41%	0.408	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-108	156	-176.8	-62.1	-68.8	0	0	0	111.4	L546 S553 P555 H562	F544-L546 PolarHBondContact O-N 3.03Å; F544-S553 WeakPolarHBondContact CD1-O 3.45Å; F544-P555 HydrophobicContact CE1-CG 4.45Å; F544-H562 PolarHBondContact O-CE1 3.49Å
545	D	86.4	Confident	80.1	Confident	16 Å²	16	72.2 Å²	72.2	9%	0.086	36%	0.359	C	S	.	.			trans	-59.6	122.3	178.1	-165.2	1.8	0	0	0	110.7	F547 S548 S553 K556 S565 H569	D545-F547 PolarHBondContact O-N 3.24Å; D545-F547 PolarHBondContact OD1-N 3.06Å; D545-S548 WeakPolarHBondContact O-CB 3.26Å; D545-S548 PolarHBondContact O-N 3.32Å; D545-S553 PolarHBondContact N-OG 2.94Å; D545-K556 HydrophobicContact CB-CD 3.85Å; D545-K556 HydrophobicContact CB-CG 4.48Å; D545-K556 IonicContact OD2-NZ 3.77Å; D545-K556 PolarHBondContact OD2-NZ 3.25Å; D545-S565 PolarHBondContact OD1-OG 3.34Å; D545-S565 VanDerWaalsContact OD1-OG 3.04Å; D545-S565 PolarHBondContact OD2-OG 3.12Å; D545-H569 IonicContact OD2-NE2 2.65Å; D545-H569 PolarHBondContact OD2-NE2 3.17Å
546	L	88.9	Confident	79.4	Confident	22 Å²	22	74.4 Å²	74.4	12%	0.115	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.6	-179.3	-69	170.5	0	0	0	112.6	F474 Y535 A542 F544 S548	F474-L546 HydrophobicContact CE1-CB 4.24Å; F474-L546 WeakPolarHBondContact CE1-O 3.35Å; F474-L546 HydrophobicContact CZ-CB 4.39Å; Y535-L546 HydrophobicContact CD2-CB 4.04Å; Y535-L546 HydrophobicContact CD2-CD1 3.74Å; Y535-L546 HydrophobicContact CE2-CB 3.66Å; Y535-L546 HydrophobicContact CE2-CD1 3.86Å; Y535-L546 HydrophobicContact CE2-CG 4.33Å; Y535-L546 HydrophobicContact CG-CD1 4.26Å; A542-L546 HydrophobicContact CB-CD1 4.44Å; A542-L546 HydrophobicContact CB-CD2 4.03Å; A542-L546 HydrophobicContact CB-CG 4.12Å; F544-L546 PolarHBondContact O-N 3.03Å; L546-S548 VanDerWaalsContact C-N 3.3Å
547	F	88.9	Confident	78.8	Confident	27 Å²	27	80 Å²	80	12%	0.118	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.2	173.3	-75.6	-91.8	0	0	0	113.7	F474 L478 Y535 D545 A566 H569 L578 F581	F474-F547 HydrophobicContact CE2-CE1 4.3Å; F474-F547 HydrophobicContact CE2-CE2 4.45Å; F474-F547 HydrophobicContact CE2-CZ 4.1Å; F474-F547 HydrophobicContact CZ-CD1 4.27Å; F474-F547 HydrophobicContact CZ-CD2 4.31Å; F474-F547 HydrophobicContact CZ-CE1 4.21Å; F474-F547 HydrophobicContact CZ-CE2 4.24Å; F474-F547 HydrophobicContact CZ-CG 4.32Å; F474-F547 HydrophobicContact CZ-CZ 4.19Å; L478-F547 HydrophobicContact CD1-CD1 4.19Å; L478-F547 HydrophobicContact CD2-CD1 3.7Å; L478-F547 HydrophobicContact CD2-CE1 3.64Å; Y535-F547 HydrophobicContact CD2-CE2 4.26Å; Y535-F547 AromaticContact CE2-CD2 3.74Å; Y535-F547 HydrophobicContact CE2-CD2 3.74Å; Y535-F547 AromaticContact CE2-CE2 3.37Å; Y535-F547 HydrophobicContact CE2-CE2 3.37Å; Y535-F547 HydrophobicContact CE2-CZ 4.3Å; Y535-F547 AromaticContact CZ-CE2 3.72Å; D545-F547 PolarHBondContact O-N 3.24Å; D545-F547 PolarHBondContact OD1-N 3.06Å; F547-A566 HydrophobicContact CE2-CB 4.21Å; F547-H569 WeakPolarHBondContact CB-NE2 3.43Å; F547-H569 HydrophobicContact CD1-CB 4.1Å; F547-H569 AromaticContact CD1-CD2 3.82Å; F547-H569 AromaticContact CD1-CG 3.76Å; F547-H569 AromaticContact CD2-CD2 3.43Å; F547-H569 VanDerWaalsContact CD2-CD2 3.43Å; F547-H569 WeakPolarHBondContact CD2-CD2 3.39Å; F547-H569 AromaticContact CD2-NE2 3.88Å; F547-H569 HydrophobicContact CE1-CB 3.83Å; F547-H569 HydrophobicContact CE2-CB 4.45Å; F547-H569 AromaticContact CE2-CD2 3.88Å; F547-H569 AromaticContact CG-CD2 3.4Å; F547-H569 VanDerWaalsContact CG-CD2 3.4Å; F547-H569 WeakPolarHBondContact CG-CD2 3.1Å; F547-H569 AromaticContact CG-CG 3.84Å; F547-H569 AromaticContact CG-NE2 3.56Å; F547-H569 HydrophobicContact CZ-CB 4.03Å; F547-L578 HydrophobicContact CE1-CD1 3.89Å; F547-L578 HydrophobicContact CZ-CD1 4.47Å; F547-F581 AromaticContact CZ-CE1 3.99Å; F547-F581 HydrophobicContact CZ-CE1 3.99Å; F547-F581 HydrophobicContact CZ-CZ 4.39Å
548	S	80.4	Confident	78.6	Confident	36 Å²	36	79.4 Å²	79.4	25%	0.252	40%	0.4	S	S	.	.			trans	-87.3	123.7	179	-178.6	0	0	0	0	110.9	D545 L546 S550	D545-S548 WeakPolarHBondContact O-CB 3.26Å; D545-S548 PolarHBondContact O-N 3.32Å; L546-S548 VanDerWaalsContact C-N 3.3Å; S548-S550 VanDerWaalsContact C-N 3.26Å; S548-S550 PolarHBondContact OG-N 2.91Å; S548-S550 PolarHBondContact OG-O 2.89Å; S548-S550 PolarHBondContact OG-OG 2.91Å; S548-S550 VanDerWaalsContact OG-OG 3.09Å
549	E	64.6	Low	78.5	Confident	147 Å²	147	78.9 Å²	78.9	69%	0.687	39%	0.394	S	S	*	.	S	Bend	trans	-75.6	-17.9	167.1	-65.2	-163	142.5	0	0	112.2	K479	K479-E549 WeakPolarHBondContact CE-OE1 3.44Å; K479-E549 IonicContact NZ-OE1 3.8Å; K479-E549 PolarHBondContact NZ-OE1 3.12Å
550	S	58.8	Low	78.6	Confident	67 Å²	67	82.1 Å²	82.1	47%	0.469	41%	0.409	S	S	.	.	S	Bend	trans	-93.4	144.9	177.8	77.6	0	0	0	0	111.9	S548 M552	S548-S550 VanDerWaalsContact C-N 3.26Å; S548-S550 PolarHBondContact OG-N 2.91Å; S548-S550 PolarHBondContact OG-O 2.89Å; S548-S550 PolarHBondContact OG-OG 2.91Å; S548-S550 VanDerWaalsContact OG-OG 3.09Å; S550-M552 PolarHBondContact O-N 2.91Å; S550-M552 VanDerWaalsContact O-N 3.15Å
551	T	52.8	Low	78.8	Confident	111 Å²	111	81.1 Å²	81.1	68%	0.681	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	0.2	174	45.8	0	0	0	0	113.8
552	M	56.8	Low	79.1	Confident	163 Å²	163	71 Å²	71	80%	0.803	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	32.6	-172.2	-68.5	-75.2	118.7	0	0	113.2	S550	S550-M552 PolarHBondContact O-N 2.91Å; S550-M552 VanDerWaalsContact O-N 3.15Å
553	S	71.8	Confident	79.4	Confident	24 Å²	24	70.1 Å²	70.1	17%	0.168	36%	0.362	C	S	.	.	S	Bend	trans	-83.4	151.1	169.5	72.7	0	0	0	0	111.4	F544 D545	F544-S553 WeakPolarHBondContact CD1-O 3.45Å; D545-S553 PolarHBondContact N-OG 2.94Å
554	W	67.5	Low	79.9	Confident	231 Å²	231	70.2 Å²	70.2	88%	0.875	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-58.1	136	172	-75.4	94.2	0	0	0	110.6	K556	W554-K556 PolarHBondContact O-N 3.24Å
555	P	74.8	Confident	80.2	Confident	76 Å²	76	65.8 Å²	65.8	49%	0.494	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-56.6	126.1	-180	-24.2	32.8	0	0	0	111.6	I543 F544 I557	I543-P555 HydrophobicContact CG2-CB 4.39Å; I543-P555 CarbonylContact O-C 3.45Å; I543-P555 WeakPolarHBondContact O-CA 3.46Å; F544-P555 HydrophobicContact CE1-CG 4.45Å; P555-I557 HydrophobicContact CB-CG1 4.39Å
556	K	79.6	Confident	80.6	Confident	45 Å²	45	65 Å²	65	20%	0.196	33%	0.332	C	S	.	.			trans	-111	88.6	171.2	-71.2	-171.5	179.7	168.5	0	107.6	I543 D545 W554 N561 H562 S565	I543-K556 CarbonylContact O-C 3.49Å; I543-K556 PolarHBondContact O-N 2.83Å; D545-K556 HydrophobicContact CB-CD 3.85Å; D545-K556 HydrophobicContact CB-CG 4.48Å; D545-K556 IonicContact OD2-NZ 3.77Å; D545-K556 PolarHBondContact OD2-NZ 3.25Å; W554-K556 PolarHBondContact O-N 3.24Å; K556-N561 HydrophobicContact CB-CB 4.4Å; K556-H562 PolarHBondContact O-CD2 3.38Å; K556-H562 PolarHBondContact O-NE2 3.14Å; K556-S565 PolarHBondContact NZ-OG 3.3Å
557	I	80.6	Confident	80.8	Confident	122 Å²	122	64.1 Å²	64.1	63%	0.626	33%	0.328	S	S	*	.			trans	-86.1	126	-178.2	-57.5	175.3	0	0	0	109.2	P555 N561	P555-I557 HydrophobicContact CB-CG1 4.39Å; I557-N561 PolarHBondContact O-ND2 2.97Å
558	G	85.5	Confident	80.9	Confident	31 Å²	31	67.9 Å²	67.9	32%	0.32	35%	0.345	S	S	.	.	S	Bend	trans	90.6	151.4	172.2	0	0	0	0	0	114.8	Q560 N561 H562	G558-Q560 VanDerWaalsContact C-N 3.33Å; G558-Q560 PolarHBondContact O-N 2.94Å; G558-N561 PolarHBondContact O-N 3.09Å; G558-H562 PolarHBondContact O-CD2 2.9Å; G558-H562 PolarHBondContact O-N 3.2Å
559	F	89	Confident	81.4	Confident	17 Å²	17	68.6 Å²	68.6	8%	0.075	35%	0.345	C	S	.	.	H	α-helix	trans	-54.6	-43.1	-173.4	178.7	-99.1	0	0	0	113.5	H536 S539 K540 N561 H562 F563 L589 Q610	H536-F559 AromaticContact ND1-CE2 3.67Å; H536-F559 AromaticContact ND1-CZ 3.87Å; S539-F559 VanDerWaalsContact OG-CD2 3.22Å; S539-F559 WeakPolarHBondContact OG-CD2 3.46Å; K540-F559 HydrophobicContact CG-CB 4.48Å; K540-F559 HydrophobicContact CG-CD2 4.22Å; F559-N561 VanDerWaalsContact C-N 3.3Å; F559-N561 PolarHBondContact O-N 3.14Å; F559-H562 PolarHBondContact O-N 3.48Å; F559-F563 HydrophobicContact CE1-CB 4.16Å; F559-F563 AromaticContact CE1-CD2 3.9Å; F559-F563 HydrophobicContact CE1-CD2 3.9Å; F559-F563 HydrophobicContact CE1-CG 4.3Å; F559-F563 HydrophobicContact CZ-CB 4.38Å; F559-F563 AromaticContact CZ-CD2 3.7Å; F559-F563 HydrophobicContact CZ-CD2 3.7Å; F559-F563 HydrophobicContact CZ-CE2 4.48Å; F559-F563 HydrophobicContact CZ-CG 4.45Å; F559-F563 WeakPolarHBondContact O-CB 3.14Å; F559-F563 PolarHBondContact O-N 3.19Å; F559-L589 HydrophobicContact CE1-CD2 3.65Å; F559-L589 HydrophobicContact CZ-CD2 3.67Å; F559-Q610 HydrophobicContact CD1-CG 4.47Å
560	Q	92.4	Very high	82.6	Confident	69 Å²	69	61.8 Å²	61.8	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-36	-177.3	-68.5	-178.9	0.1	0	0	113.3	G558 F563 R564 W613	G558-Q560 VanDerWaalsContact C-N 3.33Å; G558-Q560 PolarHBondContact O-N 2.94Å; Q560-F563 PolarHBondContact O-N 3.24Å; Q560-R564 WeakPolarHBondContact O-CG 3.32Å; Q560-R564 PolarHBondContact O-N 3.45Å; Q560-W613 HydrophobicContact CB-CH2 3.7Å; Q560-W613 HydrophobicContact CB-CZ2 3.55Å; Q560-W613 HydrophobicContact CB-CZ3 4.24Å; Q560-W613 HydrophobicContact CG-CD2 3.81Å; Q560-W613 HydrophobicContact CG-CE3 3.93Å; Q560-W613 HydrophobicContact CG-CG 4.48Å; Q560-W613 HydrophobicContact CG-CH2 3.91Å; Q560-W613 HydrophobicContact CG-CZ2 3.75Å; Q560-W613 HydrophobicContact CG-CZ3 4Å
561	N	91.9	Very high	84	Confident	72 Å²	72	63 Å²	63	39%	0.385	31%	0.312	S	S	.	.	H	α-helix	trans	-72.8	-38.9	178.2	-73.1	-34	0	0	0	111.7	K556 I557 G558 F559 R564 S565	K556-N561 HydrophobicContact CB-CB 4.4Å; I557-N561 PolarHBondContact O-ND2 2.97Å; G558-N561 PolarHBondContact O-N 3.09Å; F559-N561 VanDerWaalsContact C-N 3.3Å; F559-N561 PolarHBondContact O-N 3.14Å; N561-R564 PolarHBondContact O-N 3.35Å; N561-S565 WeakPolarHBondContact O-CB 3.34Å; N561-S565 PolarHBondContact O-N 3.27Å
562	H	93.1	Very high	85.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-41.9	170.6	-76.2	-65.1	0	0	0	112	Y535 S539 A542 F544 K556 G558 F559 R564 S565 A566	Y535-H562 HydrophobicContact CE1-CB 3.95Å; Y535-H562 PolarHBondContact OH-O 3.4Å; S539-H562 VanDerWaalsContact CB-CB 3.47Å; S539-H562 PolarHBondContact O-CD2 2.96Å; S539-H562 VanDerWaalsContact O-CD2 3.25Å; A542-H562 PolarHBondContact O-NE2 3.48Å; A542-H562 VanDerWaalsContact O-NE2 3.17Å; F544-H562 PolarHBondContact O-CE1 3.49Å; K556-H562 PolarHBondContact O-CD2 3.38Å; K556-H562 PolarHBondContact O-NE2 3.14Å; G558-H562 PolarHBondContact O-CD2 2.9Å; G558-H562 PolarHBondContact O-N 3.2Å; F559-H562 PolarHBondContact O-N 3.48Å; H562-R564 VanDerWaalsContact C-N 3.35Å; H562-R564 PolarHBondContact O-N 3.22Å; H562-S565 WeakPolarHBondContact O-CA 3.44Å; H562-S565 WeakPolarHBondContact O-CB 3.47Å; H562-S565 PolarHBondContact O-N 2.91Å; H562-S565 VanDerWaalsContact O-N 3.09Å; H562-A566 PolarHBondContact O-N 3.19Å
563	F	94	Very high	86.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-44.9	176.4	-167.2	-90.6	0	0	0	111.3	F559 Q560 S565 A566 F567 L585 T586 L589 W613 A614 F617	F559-F563 HydrophobicContact CE1-CB 4.16Å; F559-F563 AromaticContact CE1-CD2 3.9Å; F559-F563 HydrophobicContact CE1-CD2 3.9Å; F559-F563 HydrophobicContact CE1-CG 4.3Å; F559-F563 HydrophobicContact CZ-CB 4.38Å; F559-F563 AromaticContact CZ-CD2 3.7Å; F559-F563 HydrophobicContact CZ-CD2 3.7Å; F559-F563 HydrophobicContact CZ-CE2 4.48Å; F559-F563 HydrophobicContact CZ-CG 4.45Å; F559-F563 WeakPolarHBondContact O-CB 3.14Å; F559-F563 PolarHBondContact O-N 3.19Å; Q560-F563 PolarHBondContact O-N 3.24Å; F563-S565 VanDerWaalsContact C-N 3.33Å; F563-S565 PolarHBondContact O-N 3.24Å; F563-A566 PolarHBondContact O-N 3.12Å; F563-F567 HydrophobicContact CD1-CD2 4.07Å; F563-F567 HydrophobicContact CD1-CE2 4.01Å; F563-F567 AromaticContact CE1-CD2 3.8Å; F563-F567 HydrophobicContact CE1-CD2 3.8Å; F563-F567 AromaticContact CE1-CE2 3.32Å; F563-F567 HydrophobicContact CE1-CE2 3.32Å; F563-F567 HydrophobicContact CE1-CZ 4.15Å; F563-F567 HydrophobicContact CE2-CE2 4.12Å; F563-F567 HydrophobicContact CZ-CD2 4.26Å; F563-F567 AromaticContact CZ-CE2 3.4Å; F563-F567 HydrophobicContact CZ-CE2 3.4Å; F563-F567 HydrophobicContact CZ-CZ 4.12Å; F563-F567 WeakPolarHBondContact O-CD2 3.45Å; F563-F567 PolarHBondContact O-N 3.41Å; F563-L585 HydrophobicContact CD2-CD2 3.92Å; F563-L585 HydrophobicContact CD2-CG 3.94Å; F563-L585 HydrophobicContact CE2-CD2 4.22Å; F563-L585 HydrophobicContact CE2-CG 3.91Å; F563-T586 HydrophobicContact CZ-CG2 4.12Å; F563-L589 HydrophobicContact CD2-CD1 4.48Å; F563-L589 HydrophobicContact CE2-CD1 3.82Å; F563-L589 HydrophobicContact CZ-CD1 4.12Å; F563-W613 HydrophobicContact CB-CH2 4.25Å; F563-W613 HydrophobicContact CB-CZ3 4.16Å; F563-W613 AromaticContact CD1-CH2 3.98Å; F563-W613 HydrophobicContact CD1-CH2 3.98Å; F563-W613 AromaticContact CD1-CZ3 3.66Å; F563-W613 HydrophobicContact CD1-CZ3 3.66Å; F563-W613 HydrophobicContact CE1-CZ3 4.31Å; F563-W613 HydrophobicContact CG-CH2 4.45Å; F563-W613 HydrophobicContact CG-CZ3 4.05Å; F563-A614 HydrophobicContact CE1-CB 4.3Å; F563-A614 HydrophobicContact CZ-CB 4.27Å; F563-F617 HydrophobicContact CD1-CD1 4.08Å; F563-F617 HydrophobicContact CD1-CE1 4.12Å; F563-F617 AromaticContact CE1-CD1 3.92Å; F563-F617 HydrophobicContact CE1-CD1 3.92Å; F563-F617 HydrophobicContact CE1-CE1 4.14Å
564	R	93.8	Very high	87.1	Confident	105 Å²	105	64 Å²	64	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-42.1	172	-73.3	176.7	178.5	167.1	0.9	112.2	Q560 N561 H562 A566 F567 Q568 W613 F617	Q560-R564 WeakPolarHBondContact O-CG 3.32Å; Q560-R564 PolarHBondContact O-N 3.45Å; N561-R564 PolarHBondContact O-N 3.35Å; H562-R564 VanDerWaalsContact C-N 3.35Å; H562-R564 PolarHBondContact O-N 3.22Å; R564-A566 PolarHBondContact O-N 3.06Å; R564-F567 PolarHBondContact O-N 3.22Å; R564-Q568 WeakPolarHBondContact O-CG 3.41Å; R564-Q568 PolarHBondContact O-N 3.05Å; R564-W613 HydrophobicContact CG-CH2 4.24Å; R564-W613 HydrophobicContact CG-CZ2 4.43Å; R564-F617 HydrophobicContact CB-CZ 4.41Å; R564-F617 HydrophobicContact CG-CD2 4.38Å; R564-F617 HydrophobicContact CG-CE1 4.39Å; R564-F617 HydrophobicContact CG-CE2 3.77Å; R564-F617 HydrophobicContact CG-CZ 3.77Å
565	S	92.3	Very high	87.4	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.1	-49.1	176.2	-169.5	0	0	0	0	111.8	D545 K556 N561 H562 F563 F567 Q568 H569	D545-S565 PolarHBondContact OD1-OG 3.34Å; D545-S565 VanDerWaalsContact OD1-OG 3.04Å; D545-S565 PolarHBondContact OD2-OG 3.12Å; K556-S565 PolarHBondContact NZ-OG 3.3Å; N561-S565 WeakPolarHBondContact O-CB 3.34Å; N561-S565 PolarHBondContact O-N 3.27Å; H562-S565 WeakPolarHBondContact O-CA 3.44Å; H562-S565 WeakPolarHBondContact O-CB 3.47Å; H562-S565 PolarHBondContact O-N 2.91Å; H562-S565 VanDerWaalsContact O-N 3.09Å; F563-S565 VanDerWaalsContact C-N 3.33Å; F563-S565 PolarHBondContact O-N 3.24Å; S565-F567 VanDerWaalsContact C-N 3.3Å; S565-F567 PolarHBondContact O-N 2.95Å; S565-Q568 WeakPolarHBondContact O-CB 3.47Å; S565-Q568 PolarHBondContact O-N 3.04Å; S565-H569 PolarHBondContact O-CD2 2.93Å; S565-H569 VanDerWaalsContact O-CD2 3.22Å; S565-H569 PolarHBondContact O-N 3.23Å; S565-H569 PolarHBondContact OG-CD2 3.27Å
566	A	94.3	Very high	87.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-42.5	179.3	0	0	0	0	0	112.4	Y535 F547 H562 F563 R564 H569 S570 F581 V582 L585	Y535-A566 HydrophobicContact CE1-CB 4.07Å; F547-A566 HydrophobicContact CE2-CB 4.21Å; H562-A566 PolarHBondContact O-N 3.19Å; F563-A566 PolarHBondContact O-N 3.12Å; R564-A566 PolarHBondContact O-N 3.06Å; A566-H569 PolarHBondContact O-N 2.8Å; A566-S570 PolarHBondContact O-N 3.22Å; A566-F581 HydrophobicContact CB-CE1 4Å; A566-V582 HydrophobicContact CB-CG1 4.29Å; A566-L585 HydrophobicContact CB-CD2 3.68Å
567	F	93.4	Very high	87.9	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-69.3	-34.2	175.8	-84.4	-97.3	0	0	0	113.1	F563 R564 S565 Q571 V582 F617 L618 L621 L636	F563-F567 HydrophobicContact CD1-CD2 4.07Å; F563-F567 HydrophobicContact CD1-CE2 4.01Å; F563-F567 AromaticContact CE1-CD2 3.8Å; F563-F567 HydrophobicContact CE1-CD2 3.8Å; F563-F567 AromaticContact CE1-CE2 3.32Å; F563-F567 HydrophobicContact CE1-CE2 3.32Å; F563-F567 HydrophobicContact CE1-CZ 4.15Å; F563-F567 HydrophobicContact CE2-CE2 4.12Å; F563-F567 HydrophobicContact CZ-CD2 4.26Å; F563-F567 AromaticContact CZ-CE2 3.4Å; F563-F567 HydrophobicContact CZ-CE2 3.4Å; F563-F567 HydrophobicContact CZ-CZ 4.12Å; F563-F567 WeakPolarHBondContact O-CD2 3.45Å; F563-F567 PolarHBondContact O-N 3.41Å; R564-F567 PolarHBondContact O-N 3.22Å; S565-F567 VanDerWaalsContact C-N 3.3Å; S565-F567 PolarHBondContact O-N 2.95Å; F567-Q571 WeakPolarHBondContact O-CB 3.5Å; F567-Q571 VanDerWaalsContact O-CG 3.26Å; F567-Q571 WeakPolarHBondContact O-CG 3.47Å; F567-Q571 PolarHBondContact O-N 3.46Å; F567-V582 HydrophobicContact CD2-CB 4.46Å; F567-V582 HydrophobicContact CD2-CG1 4.41Å; F567-V582 HydrophobicContact CE1-CB 4.34Å; F567-V582 HydrophobicContact CE1-CG2 4.29Å; F567-V582 HydrophobicContact CE2-CB 4.06Å; F567-V582 HydrophobicContact CE2-CG1 4.47Å; F567-V582 HydrophobicContact CZ-CB 4.01Å; F567-V582 HydrophobicContact CZ-CG2 4.38Å; F567-F617 HydrophobicContact CB-CE1 4.39Å; F567-F617 HydrophobicContact CD2-CE1 4.2Å; F567-F617 HydrophobicContact CG-CE1 4.17Å; F567-L618 HydrophobicContact CD1-CD2 4.39Å; F567-L618 HydrophobicContact CE1-CD2 3.53Å; F567-L618 HydrophobicContact CZ-CD2 3.62Å; F567-L621 HydrophobicContact CD1-CD1 4.06Å; F567-L636 HydrophobicContact CD1-CD2 4.04Å; F567-L636 HydrophobicContact CE1-CD2 3.78Å
568	Q	90.9	Very high	88.4	Confident	105 Å²	105	46.1 Å²	46.1	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-45.8	174	-72.5	172.9	-20.8	0	0	111.3	R564 S565 Q571 Q572	R564-Q568 WeakPolarHBondContact O-CG 3.41Å; R564-Q568 PolarHBondContact O-N 3.05Å; S565-Q568 WeakPolarHBondContact O-CB 3.47Å; S565-Q568 PolarHBondContact O-N 3.04Å; Q568-Q571 PolarHBondContact O-N 3.22Å; Q568-Q572 VanDerWaalsContact O-CG 3.32Å; Q568-Q572 WeakPolarHBondContact O-CG 3.04Å; Q568-Q572 PolarHBondContact O-N 3.35Å
569	H	91.3	Very high	88.7	Confident	51 Å²	51	45 Å²	45	24%	0.236	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-42.4	176.5	-76.1	-71.5	0	0	0	112.2	D545 F547 S565 A566 Q571 Q572 A573 L578	D545-H569 IonicContact OD2-NE2 2.65Å; D545-H569 PolarHBondContact OD2-NE2 3.17Å; F547-H569 WeakPolarHBondContact CB-NE2 3.43Å; F547-H569 HydrophobicContact CD1-CB 4.1Å; F547-H569 AromaticContact CD1-CD2 3.82Å; F547-H569 AromaticContact CD1-CG 3.76Å; F547-H569 AromaticContact CD2-CD2 3.43Å; F547-H569 VanDerWaalsContact CD2-CD2 3.43Å; F547-H569 WeakPolarHBondContact CD2-CD2 3.39Å; F547-H569 AromaticContact CD2-NE2 3.88Å; F547-H569 HydrophobicContact CE1-CB 3.83Å; F547-H569 HydrophobicContact CE2-CB 4.45Å; F547-H569 AromaticContact CE2-CD2 3.88Å; F547-H569 AromaticContact CG-CD2 3.4Å; F547-H569 VanDerWaalsContact CG-CD2 3.4Å; F547-H569 WeakPolarHBondContact CG-CD2 3.1Å; F547-H569 AromaticContact CG-CG 3.84Å; F547-H569 AromaticContact CG-NE2 3.56Å; F547-H569 HydrophobicContact CZ-CB 4.03Å; S565-H569 PolarHBondContact O-CD2 2.93Å; S565-H569 VanDerWaalsContact O-CD2 3.22Å; S565-H569 PolarHBondContact O-N 3.23Å; S565-H569 PolarHBondContact OG-CD2 3.27Å; A566-H569 PolarHBondContact O-N 2.8Å; H569-Q571 VanDerWaalsContact C-N 3.31Å; H569-Q571 PolarHBondContact O-N 3.07Å; H569-Q572 PolarHBondContact O-N 3.2Å; H569-Q572 VanDerWaalsContact O-N 3.14Å; H569-A573 PolarHBondContact O-N 3.35Å; H569-L578 HydrophobicContact CB-CD1 3.99Å
570	S	91	Very high	88.8	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.028	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-37.3	173.5	156.2	0	0	0	0	112.6	A566 Q572 D579	A566-S570 PolarHBondContact O-N 3.22Å; S570-Q572 VanDerWaalsContact C-N 3.33Å; S570-Q572 PolarHBondContact O-N 3.25Å; S570-D579 PolarHBondContact OG-OD1 2.82Å
571	Q	86.8	Confident	89	Confident	93 Å²	93	41 Å²	41	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-69.8	-29.5	175.5	-73.3	173.5	21.6	0	0	113.3	F567 Q568 H569 R632	F567-Q571 WeakPolarHBondContact O-CB 3.5Å; F567-Q571 VanDerWaalsContact O-CG 3.26Å; F567-Q571 WeakPolarHBondContact O-CG 3.47Å; F567-Q571 PolarHBondContact O-N 3.46Å; Q568-Q571 PolarHBondContact O-N 3.22Å; H569-Q571 VanDerWaalsContact C-N 3.31Å; H569-Q571 PolarHBondContact O-N 3.07Å; Q571-R632 PolarHBondContact O-NH1 3.5Å
572	Q	87.4	Confident	89.2	Confident	141 Å²	141	37.6 Å²	37.6	66%	0.659	18%	0.177	S	C	*	.	H	α-helix	trans	-81.7	-27.5	178.7	-71.5	172.3	2.3	0	0	113.3	Q568 H569 S570 E574	Q568-Q572 VanDerWaalsContact O-CG 3.32Å; Q568-Q572 WeakPolarHBondContact O-CG 3.04Å; Q568-Q572 PolarHBondContact O-N 3.35Å; H569-Q572 PolarHBondContact O-N 3.2Å; H569-Q572 VanDerWaalsContact O-N 3.14Å; S570-Q572 VanDerWaalsContact C-N 3.33Å; S570-Q572 PolarHBondContact O-N 3.25Å; Q572-E574 PolarHBondContact O-N 3.16Å
573	A	83.7	Confident	89.3	Confident	13 Å²	13	38.5 Å²	38.5	11%	0.107	18%	0.18	C	C	.	.			trans	-65.8	114.9	176.8	0	0	0	0	0	111.4	H569 L578 R632	H569-A573 PolarHBondContact O-N 3.35Å; A573-L578 HydrophobicContact CB-CD1 4.39Å; A573-R632 PolarHBondContact O-NE 3.3Å; A573-R632 PolarHBondContact O-NH2 3.31Å; A573-R632 VanDerWaalsContact O-NH2 3.09Å
574	E	75.4	Confident	89.4	Confident	165 Å²	165	38.5 Å²	38.5	77%	0.771	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-34.2	-173	-70.6	-163.2	168.2	0	0	114.1	Q572 R632	Q572-E574 PolarHBondContact O-N 3.16Å; E574-R632 VanDerWaalsContact C-NH2 3.35Å; E574-R632 VanDerWaalsContact CA-NH2 3.29Å; E574-R632 PolarHBondContact O-NH2 3.33Å
575	D	74.7	Confident	89.5	Confident	62 Å²	62	33.5 Å²	33.5	33%	0.332	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.4	-177.6	65	-18.1	0	0	0	114	K177 H480 H577	K177-D575 CarbonylContact O-C 3.47Å; K177-D575 VanDerWaalsContact O-O 3.09Å; H480-D575 IonicContact CE1-OD2 3.33Å; H480-D575 PolarHBondContact CE1-OD2 3.07Å; H480-D575 VanDerWaalsContact CE1-OD2 3.31Å; D575-H577 PolarHBondContact O-N 3.16Å; D575-H577 VanDerWaalsContact O-N 3.14Å; D575-H577 IonicContact OD1-CE1 3.35Å; D575-H577 IonicContact OD1-CG 3.01Å; D575-H577 PolarHBondContact OD1-N 3.45Å; D575-H577 IonicContact OD1-ND1 2.74Å; D575-H577 PolarHBondContact OD1-ND1 3.18Å; D575-H577 IonicContact OD2-CG 2.95Å; D575-H577 IonicContact OD2-ND1 3.36Å; D575-H577 PolarHBondContact OD2-ND1 3.44Å
576	G	81	Confident	89.7	Confident	3 Å²	3	33.5 Å²	33.5	3%	0.031	16%	0.161	C	C	.	.			trans	65.9	14.7	175.4	0	0	0	0	0	115.3	L578 D579	G576-L578 PolarHBondContact O-N 3.2Å; G576-D579 VanDerWaalsContact O-CB 3.28Å; G576-D579 WeakPolarHBondContact O-CB 3.47Å; G576-D579 PolarHBondContact O-N 3.43Å
577	H	84.2	Confident	89.8	Confident	29 Å²	29	33.5 Å²	33.5	13%	0.134	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.1	-176.2	72.1	-84.7	0	0	0	114.7	H480 D575	H480-H577 AromaticContact CE1-CE1 3.97Å; H480-H577 AromaticContact CE1-CG 3.81Å; H480-H577 AromaticContact CE1-ND1 3.76Å; D575-H577 PolarHBondContact O-N 3.16Å; D575-H577 VanDerWaalsContact O-N 3.14Å; D575-H577 IonicContact OD1-CE1 3.35Å; D575-H577 IonicContact OD1-CG 3.01Å; D575-H577 PolarHBondContact OD1-N 3.45Å; D575-H577 IonicContact OD1-ND1 2.74Å; D575-H577 PolarHBondContact OD1-ND1 3.18Å; D575-H577 IonicContact OD2-CG 2.95Å; D575-H577 IonicContact OD2-ND1 3.36Å; D575-H577 PolarHBondContact OD2-ND1 3.44Å
578	L	91.1	Very high	89.8	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-1.4	175.5	-61.9	178	0	0	0	113.4	L477 L478 F547 H569 A573 G576 L580 F581 V582	L477-L578 HydrophobicContact CD2-CD2 4.07Å; L477-L578 HydrophobicContact CG-CD2 4.42Å; L478-L578 HydrophobicContact CD2-CD2 4.25Å; F547-L578 HydrophobicContact CE1-CD1 3.89Å; F547-L578 HydrophobicContact CZ-CD1 4.47Å; H569-L578 HydrophobicContact CB-CD1 3.99Å; A573-L578 HydrophobicContact CB-CD1 4.39Å; G576-L578 PolarHBondContact O-N 3.2Å; L578-L580 PolarHBondContact O-N 3.18Å; L578-F581 HydrophobicContact CD2-CD1 4.48Å; L578-F581 WeakPolarHBondContact O-CB 3.42Å; L578-F581 PolarHBondContact O-N 3.13Å; L578-V582 PolarHBondContact O-N 2.85Å
579	D	90.8	Very high	89.9	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-40.1	-173.2	-78.3	0.2	0	0	0	112.2	S570 G576 V582 R583 N635	S570-D579 PolarHBondContact OG-OD1 2.82Å; G576-D579 VanDerWaalsContact O-CB 3.28Å; G576-D579 WeakPolarHBondContact O-CB 3.47Å; G576-D579 PolarHBondContact O-N 3.43Å; D579-V582 WeakPolarHBondContact O-CG2 3.36Å; D579-R583 WeakPolarHBondContact O-CG 3.47Å; D579-R583 PolarHBondContact O-N 3.32Å; D579-N635 PolarHBondContact O-ND2 2.81Å
580	L	92.4	Very high	89.9	Confident	2 Å²	2	26 Å²	26	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-74.7	-35.1	174.9	-169.6	64.4	0	0	0	111.5	L181 T525 E528 L578 V582 R583 F584	L181-L580 HydrophobicContact CD1-CD1 3.77Å; L181-L580 HydrophobicContact CD1-CD2 3.58Å; L181-L580 HydrophobicContact CD1-CG 4.3Å; T525-L580 HydrophobicContact CG2-CD2 3.53Å; E528-L580 VanDerWaalsContact OE2-CD2 3.28Å; E528-L580 WeakPolarHBondContact OE2-CD2 3.48Å; L578-L580 PolarHBondContact O-N 3.18Å; L580-V582 VanDerWaalsContact C-N 3.34Å; L580-V582 PolarHBondContact O-N 2.76Å; L580-R583 HydrophobicContact CD1-CB 4.31Å; L580-R583 WeakPolarHBondContact O-CB 3.12Å; L580-R583 PolarHBondContact O-N 2.86Å; L580-R583 VanDerWaalsContact O-N 3.14Å; L580-F584 HydrophobicContact CD1-CE2 4.13Å; L580-F584 HydrophobicContact CD1-CZ 4.24Å; L580-F584 HydrophobicContact CD2-CD2 4.45Å; L580-F584 HydrophobicContact CD2-CE2 3.56Å; L580-F584 HydrophobicContact CD2-CZ 3.97Å; L580-F584 HydrophobicContact CG-CD2 3.9Å; L580-F584 HydrophobicContact CG-CE2 3.44Å; L580-F584 VanDerWaalsContact CG-CE2 3.44Å; L580-F584 HydrophobicContact CG-CZ 4Å; L580-F584 VanDerWaalsContact O-CD2 3.28Å; L580-F584 WeakPolarHBondContact O-CD2 3.28Å; L580-F584 PolarHBondContact O-N 3.26Å
581	F	95.6	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.6	-47.3	172.1	163.2	-94.3	0	0	0	111.7	F474 L477 A531 A532 Y535 F547 A566 L578 R583 F584 L585	F474-F581 AromaticContact CD2-CE2 3.85Å; F474-F581 HydrophobicContact CD2-CE2 3.85Å; F474-F581 HydrophobicContact CD2-CZ 4.22Å; F474-F581 AromaticContact CE2-CE2 3.95Å; F474-F581 HydrophobicContact CE2-CE2 3.95Å; F474-F581 AromaticContact CE2-CZ 3.84Å; F474-F581 HydrophobicContact CE2-CZ 3.84Å; L477-F581 HydrophobicContact CD2-CB 4.27Å; A531-F581 HydrophobicContact CB-CD2 4.01Å; A531-F581 HydrophobicContact CB-CE2 4.28Å; A532-F581 VanDerWaalsContact CA-CE2 3.45Å; A532-F581 HydrophobicContact CB-CD2 3.87Å; A532-F581 HydrophobicContact CB-CE2 4.07Å; Y535-F581 HydrophobicContact CD1-CZ 4.15Å; Y535-F581 AromaticContact CD2-CZ 3.91Å; Y535-F581 HydrophobicContact CD2-CZ 3.91Å; Y535-F581 HydrophobicContact CG-CE2 4.31Å; Y535-F581 AromaticContact CG-CZ 3.68Å; Y535-F581 HydrophobicContact CG-CZ 3.68Å; F547-F581 AromaticContact CZ-CE1 3.99Å; F547-F581 HydrophobicContact CZ-CE1 3.99Å; F547-F581 HydrophobicContact CZ-CZ 4.39Å; A566-F581 HydrophobicContact CB-CE1 4Å; L578-F581 HydrophobicContact CD2-CD1 4.48Å; L578-F581 WeakPolarHBondContact O-CB 3.42Å; L578-F581 PolarHBondContact O-N 3.13Å; F581-R583 PolarHBondContact O-N 3.38Å; F581-F584 PolarHBondContact O-N 2.99Å; F581-L585 HydrophobicContact CE1-CD2 4.4Å; F581-L585 HydrophobicContact CZ-CD2 4.47Å; F581-L585 WeakPolarHBondContact O-CB 3.3Å; F581-L585 PolarHBondContact O-N 2.88Å
582	V	95.5	Very high	89.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.5	-29.8	177.6	-61.9	0	0	0	0	112.8	A566 F567 L578 D579 L580 L585 T586 N635	A566-V582 HydrophobicContact CB-CG1 4.29Å; F567-V582 HydrophobicContact CD2-CB 4.46Å; F567-V582 HydrophobicContact CD2-CG1 4.41Å; F567-V582 HydrophobicContact CE1-CB 4.34Å; F567-V582 HydrophobicContact CE1-CG2 4.29Å; F567-V582 HydrophobicContact CE2-CB 4.06Å; F567-V582 HydrophobicContact CE2-CG1 4.47Å; F567-V582 HydrophobicContact CZ-CB 4.01Å; F567-V582 HydrophobicContact CZ-CG2 4.38Å; L578-V582 PolarHBondContact O-N 2.85Å; D579-V582 WeakPolarHBondContact O-CG2 3.36Å; L580-V582 VanDerWaalsContact C-N 3.34Å; L580-V582 PolarHBondContact O-N 2.76Å; V582-L585 PolarHBondContact O-N 2.79Å; V582-T586 WeakPolarHBondContact O-CB 3.23Å; V582-T586 PolarHBondContact O-N 3.02Å; V582-T586 PolarHBondContact O-OG1 3.22Å; V582-N635 WeakPolarHBondContact CG2-ND2 3.24Å
583	R	94.7	Very high	89.8	Confident	19 Å²	19	21.8 Å²	21.8	7%	0.072	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-50.8	170.4	-71.5	178.7	-164.4	-178.7	8.8	110.8	M182 D579 L580 F581 T586 G587 N635 Y638 E642	M182-R583 PolarHBondContact SD-NH2 3.46Å; D579-R583 WeakPolarHBondContact O-CG 3.47Å; D579-R583 PolarHBondContact O-N 3.32Å; L580-R583 HydrophobicContact CD1-CB 4.31Å; L580-R583 WeakPolarHBondContact O-CB 3.12Å; L580-R583 PolarHBondContact O-N 2.86Å; L580-R583 VanDerWaalsContact O-N 3.14Å; F581-R583 PolarHBondContact O-N 3.38Å; R583-T586 WeakPolarHBondContact O-CB 3.39Å; R583-T586 PolarHBondContact O-N 3.37Å; R583-G587 PolarHBondContact O-N 3.42Å; R583-N635 PolarHBondContact NE-OD1 3.05Å; R583-N635 PolarHBondContact NH2-OD1 3.36Å; R583-Y638 VanDerWaalsContact CZ-CG 3.42Å; R583-E642 HydrophobicContact CB-CG 4.37Å
584	F	97	Very high	90	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.8	-45.3	177.7	-70.6	-49.4	0	0	0	112.1	C430 T431 Y434 T525 E528 F529 A532 L580 F581 T586 G587 L588	C430-F584 HydrophobicContact CB-CE1 4.37Å; C430-F584 WeakPolarHBondContact SG-CE1 3.28Å; T431-F584 HydrophobicContact CG2-CB 4.47Å; T431-F584 HydrophobicContact CG2-CD1 3.98Å; Y434-F584 AromaticContact CD2-CE1 3.57Å; Y434-F584 HydrophobicContact CD2-CE1 3.57Å; Y434-F584 AromaticContact CD2-CZ 3.63Å; Y434-F584 HydrophobicContact CD2-CZ 3.63Å; Y434-F584 HydrophobicContact CE2-CE1 4.11Å; Y434-F584 AromaticContact CE2-CZ 3.78Å; Y434-F584 HydrophobicContact CE2-CZ 3.78Å; Y434-F584 HydrophobicContact CG-CE1 4.28Å; Y434-F584 HydrophobicContact CG-CZ 4.3Å; T525-F584 VanDerWaalsContact O-CE2 3.29Å; T525-F584 WeakPolarHBondContact O-CE2 3.38Å; E528-F584 HydrophobicContact CB-CD2 4.18Å; E528-F584 HydrophobicContact CB-CE2 4.03Å; F529-F584 VanDerWaalsContact CA-CD2 3.45Å; F529-F584 HydrophobicContact CB-CD1 4.32Å; F529-F584 HydrophobicContact CB-CD2 3.87Å; F529-F584 HydrophobicContact CB-CE1 4.2Å; F529-F584 HydrophobicContact CB-CE2 3.73Å; F529-F584 HydrophobicContact CB-CG 4.15Å; F529-F584 HydrophobicContact CB-CZ 3.91Å; F529-F584 HydrophobicContact CD2-CB 4.32Å; F529-F584 AromaticContact CD2-CD1 3.7Å; F529-F584 HydrophobicContact CD2-CD1 3.7Å; F529-F584 HydrophobicContact CD2-CE1 4.01Å; F529-F584 AromaticContact CD2-CG 3.98Å; F529-F584 HydrophobicContact CD2-CG 3.98Å; F529-F584 HydrophobicContact CG-CD1 4.5Å; A532-F584 HydrophobicContact CB-CB 3.52Å; L580-F584 HydrophobicContact CD1-CE2 4.13Å; L580-F584 HydrophobicContact CD1-CZ 4.24Å; L580-F584 HydrophobicContact CD2-CD2 4.45Å; L580-F584 HydrophobicContact CD2-CE2 3.56Å; L580-F584 HydrophobicContact CD2-CZ 3.97Å; L580-F584 HydrophobicContact CG-CD2 3.9Å; L580-F584 HydrophobicContact CG-CE2 3.44Å; L580-F584 VanDerWaalsContact CG-CE2 3.44Å; L580-F584 HydrophobicContact CG-CZ 4Å; L580-F584 VanDerWaalsContact O-CD2 3.28Å; L580-F584 WeakPolarHBondContact O-CD2 3.28Å; L580-F584 PolarHBondContact O-N 3.26Å; F581-F584 PolarHBondContact O-N 2.99Å; F584-T586 PolarHBondContact O-N 3.34Å; F584-G587 PolarHBondContact O-N 3.02Å; F584-G587 VanDerWaalsContact O-N 3.14Å; F584-L588 VanDerWaalsContact O-CG 3.29Å; F584-L588 WeakPolarHBondContact O-CG 3.45Å; F584-L588 PolarHBondContact O-N 3.03Å
585	L	96.4	Very high	90.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-36.5	177.1	-177.9	61	0	0	0	111.7	A532 Y535 H536 F563 A566 F581 V582	A532-L585 HydrophobicContact CB-CB 4.29Å; Y535-L585 HydrophobicContact CD1-CD1 4Å; Y535-L585 HydrophobicContact CD1-CD2 3.8Å; Y535-L585 HydrophobicContact CE1-CD2 4.06Å; H536-L585 HydrophobicContact CB-CD1 3.87Å; F563-L585 HydrophobicContact CD2-CD2 3.92Å; F563-L585 HydrophobicContact CD2-CG 3.94Å; F563-L585 HydrophobicContact CE2-CD2 4.22Å; F563-L585 HydrophobicContact CE2-CG 3.91Å; A566-L585 HydrophobicContact CB-CD2 3.68Å; F581-L585 HydrophobicContact CE1-CD2 4.4Å; F581-L585 HydrophobicContact CZ-CD2 4.47Å; F581-L585 WeakPolarHBondContact O-CB 3.3Å; F581-L585 PolarHBondContact O-N 2.88Å; V582-L585 PolarHBondContact O-N 2.79Å
586	T	96.1	Very high	91.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-73.3	-43.6	177.2	-47.8	0	0	0	0	111.6	F563 V582 R583 F584 L588 L589 L618 C639 L643	F563-T586 HydrophobicContact CZ-CG2 4.12Å; V582-T586 WeakPolarHBondContact O-CB 3.23Å; V582-T586 PolarHBondContact O-N 3.02Å; V582-T586 PolarHBondContact O-OG1 3.22Å; R583-T586 WeakPolarHBondContact O-CB 3.39Å; R583-T586 PolarHBondContact O-N 3.37Å; F584-T586 PolarHBondContact O-N 3.34Å; T586-L588 VanDerWaalsContact C-N 3.29Å; T586-L588 PolarHBondContact O-N 3.1Å; T586-L589 VanDerWaalsContact O-CB 3.32Å; T586-L589 WeakPolarHBondContact O-CB 3.47Å; T586-L589 WeakPolarHBondContact O-CG 3.33Å; T586-L589 PolarHBondContact O-N 3.18Å; T586-L589 VanDerWaalsContact O-N 3.12Å; T586-L618 HydrophobicContact CG2-CD1 3.89Å; T586-C639 HydrophobicContact CG2-CB 3.99Å; T586-L643 HydrophobicContact CG2-CD1 3.39Å; T586-L643 HydrophobicContact CG2-CD2 3.83Å; T586-L643 HydrophobicContact CG2-CG 3.32Å; T586-L643 WeakPolarHBondContact O-CD2 3.41Å
587	G	95.4	Very high	91.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.7	-26.8	177.6	0	0	0	0	0	114.3	R583 F584 L589 C590 T593	R583-G587 PolarHBondContact O-N 3.42Å; F584-G587 PolarHBondContact O-N 3.02Å; F584-G587 VanDerWaalsContact O-N 3.14Å; G587-L589 PolarHBondContact O-N 2.87Å; G587-C590 WeakPolarHBondContact O-CB 3.05Å; G587-C590 PolarHBondContact O-N 2.97Å; G587-C590 VanDerWaalsContact O-N 3.09Å; G587-T593 WeakPolarHBondContact O-CB 3.48Å; G587-T593 PolarHBondContact O-OG1 2.81Å
588	L	94	Very high	91.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8	173.1	-71.2	169.4	0	0	0	113.3	T431 F529 A532 H536 F584 T586 C590 T593 M594 L597	T431-L588 HydrophobicContact CG2-CD2 4.24Å; T431-L588 HydrophobicContact CG2-CG 4.07Å; F529-L588 HydrophobicContact CE2-CD2 4.27Å; A532-L588 HydrophobicContact CB-CD1 4.18Å; H536-L588 HydrophobicContact CB-CD1 3.98Å; F584-L588 VanDerWaalsContact O-CG 3.29Å; F584-L588 WeakPolarHBondContact O-CG 3.45Å; F584-L588 PolarHBondContact O-N 3.03Å; T586-L588 VanDerWaalsContact C-N 3.29Å; T586-L588 PolarHBondContact O-N 3.1Å; L588-C590 VanDerWaalsContact C-N 3.29Å; L588-T593 HydrophobicContact CD2-CG2 4.19Å; L588-M594 HydrophobicContact CB-SD 4.05Å; L588-M594 HydrophobicContact CD2-SD 3.61Å; L588-M594 HydrophobicContact CG-SD 4.45Å; L588-M594 WeakPolarHBondContact O-CG 3.49Å; L588-L597 HydrophobicContact CD2-CD1 3.94Å
589	L	92.9	Very high	90.7	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.3	171.4	-57.9	177.1	0	0	0	112.9	F559 F563 T586 G587 Q610 A614 L643	F559-L589 HydrophobicContact CE1-CD2 3.65Å; F559-L589 HydrophobicContact CZ-CD2 3.67Å; F563-L589 HydrophobicContact CD2-CD1 4.48Å; F563-L589 HydrophobicContact CE2-CD1 3.82Å; F563-L589 HydrophobicContact CZ-CD1 4.12Å; T586-L589 VanDerWaalsContact O-CB 3.32Å; T586-L589 WeakPolarHBondContact O-CB 3.47Å; T586-L589 WeakPolarHBondContact O-CG 3.33Å; T586-L589 PolarHBondContact O-N 3.18Å; T586-L589 VanDerWaalsContact O-N 3.12Å; G587-L589 PolarHBondContact O-N 2.87Å; L589-Q610 HydrophobicContact CD2-CB 4.18Å; L589-A614 HydrophobicContact CD1-CB 3.45Å; L589-A614 VanDerWaalsContact CD1-CB 3.45Å; L589-L643 HydrophobicContact CB-CD2 3.94Å; L589-L643 HydrophobicContact CD1-CD2 4.25Å
590	C	90.8	Very high	90.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-85.5	128.8	177.1	-75.1	0	0	0	0	111.3	G587 L588 T592 T593 M594 E642 L643	G587-C590 WeakPolarHBondContact O-CB 3.05Å; G587-C590 PolarHBondContact O-N 2.97Å; G587-C590 VanDerWaalsContact O-N 3.09Å; L588-C590 VanDerWaalsContact C-N 3.29Å; C590-T592 VanDerWaalsContact C-N 3.25Å; C590-T592 PolarHBondContact O-N 2.91Å; C590-T593 WeakPolarHBondContact O-CB 3.44Å; C590-T593 PolarHBondContact O-N 3.5Å; C590-T593 VanDerWaalsContact O-N 3.15Å; C590-M594 WeakPolarHBondContact O-CG 3.28Å; C590-M594 PolarHBondContact O-N 3.16Å; C590-M594 VanDerWaalsContact O-N 3.16Å; C590-E642 PolarHBondContact SG-O 3.19Å; C590-E642 VanDerWaalsContact SG-O 3.34Å; C590-L643 VanDerWaalsContact SG-C 3.54Å; C590-L643 VanDerWaalsContact SG-CA 3.56Å; C590-L643 PolarHBondContact SG-O 3.11Å; C590-L643 VanDerWaalsContact SG-O 3.42Å
591	P	87.9	Confident	89.8	Confident	87 Å²	87	21.8 Å²	21.8	57%	0.565	13%	0.133	S	C	*	.	H	α-helix	trans	-58.7	-33.7	177.1	-27.2	35.4	0	0	0	114.1	M594 K595	P591-M594 PolarHBondContact O-N 2.85Å; P591-K595 PolarHBondContact O-N 3.07Å
592	T	87.2	Confident	88.5	Confident	62 Å²	62	24.5 Å²	24.5	38%	0.38	16%	0.155	S	C	.	.	H	α-helix	trans	-61.2	-43.5	176.4	50	0	0	0	0	111.8	E432 C590 P596 Q644	E432-T592 WeakPolarHBondContact OE1-CB 3.35Å; E432-T592 PolarHBondContact OE1-OG1 3.08Å; C590-T592 VanDerWaalsContact C-N 3.25Å; C590-T592 PolarHBondContact O-N 2.91Å; T592-P596 WeakPolarHBondContact O-CD 3.4Å; T592-Q644 PolarHBondContact OG1-NE2 3.24Å; T592-Q644 VanDerWaalsContact OG1-NE2 3.13Å
593	T	88.9	Confident	87.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65	-37.2	174.7	-49	0	0	0	0	112.7	T431 E432 A435 G587 L588 C590 P596	T431-T593 HydrophobicContact CG2-CG2 3.49Å; T431-T593 VanDerWaalsContact CG2-CG2 3.49Å; E432-T593 WeakPolarHBondContact CG-OG1 3.45Å; A435-T593 HydrophobicContact CB-CG2 4.05Å; A435-T593 WeakPolarHBondContact CB-O 3.34Å; G587-T593 WeakPolarHBondContact O-CB 3.48Å; G587-T593 PolarHBondContact O-OG1 2.81Å; L588-T593 HydrophobicContact CD2-CG2 4.19Å; C590-T593 WeakPolarHBondContact O-CB 3.44Å; C590-T593 PolarHBondContact O-N 3.5Å; C590-T593 VanDerWaalsContact O-N 3.15Å; T593-P596 WeakPolarHBondContact O-CD 3.41Å
594	M	88.1	Confident	85.7	Confident	28 Å²	28	29.7 Å²	29.7	14%	0.138	20%	0.2	C	C	.	.	H	α-helix	trans	-79.7	-22.4	-175.5	-65.5	-52	-67.8	0	0	113.2	L588 C590 P591 L597 A598 L601 L603	L588-M594 HydrophobicContact CB-SD 4.05Å; L588-M594 HydrophobicContact CD2-SD 3.61Å; L588-M594 HydrophobicContact CG-SD 4.45Å; L588-M594 WeakPolarHBondContact O-CG 3.49Å; C590-M594 WeakPolarHBondContact O-CG 3.28Å; C590-M594 PolarHBondContact O-N 3.16Å; C590-M594 VanDerWaalsContact O-N 3.16Å; P591-M594 PolarHBondContact O-N 2.85Å; M594-L597 CarbonylContact O-C 3.31Å; M594-L597 PolarHBondContact O-N 2.77Å; M594-L597 VanDerWaalsContact O-N 3.1Å; M594-L597 HydrophobicContact SD-CD1 4.45Å; M594-A598 PolarHBondContact O-N 3.23Å; M594-A598 VanDerWaalsContact O-N 3.1Å; M594-L601 HydrophobicContact CE-CD1 3.89Å; M594-L603 HydrophobicContact CE-CD1 3.04Å; M594-L603 HydrophobicContact CE-CD2 4.47Å; M594-L603 HydrophobicContact CE-CG 4.35Å
595	K	87.8	Confident	84	Confident	128 Å²	128	40.3 Å²	40.3	56%	0.557	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-57.8	-49.8	-178.7	-176.5	-167.9	-175.8	-139.3	0	112.8	E424 P591 L597 A598	E424-K595 IonicContact OE1-NZ 2.75Å; E424-K595 PolarHBondContact OE1-NZ 3.11Å; P591-K595 PolarHBondContact O-N 3.07Å; K595-L597 PolarHBondContact O-N 2.81Å; K595-A598 WeakPolarHBondContact O-CB 3.48Å; K595-A598 PolarHBondContact O-N 3.49Å
596	P	88	Confident	82.6	Confident	13 Å²	13	44 Å²	44	8%	0.084	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.2	-23.1	175.6	-23.7	34	0	0	0	114.5	H436 S439 T592 T593	H436-P596 WeakPolarHBondContact CE1-CG 3.47Å; H436-P596 WeakPolarHBondContact NE2-CG 3.28Å; S439-P596 VanDerWaalsContact CB-O 3.31Å; S439-P596 WeakPolarHBondContact CB-O 3.24Å; S439-P596 PolarHBondContact OG-O 3.34Å; T592-P596 WeakPolarHBondContact O-CD 3.4Å; T593-P596 WeakPolarHBondContact O-CD 3.41Å
597	L	87.9	Confident	81.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-94.6	-5.8	-177.9	-62.7	176.3	0	0	0	113.5	A435 C438 F529 L588 M594 K595 G599 L600 L601	A435-L597 HydrophobicContact CB-CD1 3.98Å; A435-L597 HydrophobicContact CB-CD2 4.36Å; A435-L597 HydrophobicContact CB-CG 3.93Å; C438-L597 HydrophobicContact CB-CD2 4.39Å; F529-L597 HydrophobicContact CZ-CD1 4.12Å; L588-L597 HydrophobicContact CD2-CD1 3.94Å; M594-L597 CarbonylContact O-C 3.31Å; M594-L597 PolarHBondContact O-N 2.77Å; M594-L597 VanDerWaalsContact O-N 3.1Å; M594-L597 HydrophobicContact SD-CD1 4.45Å; K595-L597 PolarHBondContact O-N 2.81Å; L597-G599 VanDerWaalsContact C-N 3.25Å; L597-G599 PolarHBondContact O-N 3.4Å; L597-L600 HydrophobicContact CD2-CD1 4.29Å; L597-L600 CarbonylContact O-C 3.58Å; L597-L600 WeakPolarHBondContact O-CA 3.47Å; L597-L600 PolarHBondContact O-N 3.11Å; L597-L601 HydrophobicContact CB-CD1 3.85Å; L597-L601 HydrophobicContact CB-CG 4.19Å; L597-L601 HydrophobicContact CD1-CD1 3.98Å; L597-L601 HydrophobicContact CG-CD1 4.48Å; L597-L601 PolarHBondContact O-N 3.32Å
598	A	82.7	Confident	80.3	Confident	62 Å²	62	51.5 Å²	51.5	51%	0.512	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-35.2	-173.6	0	0	0	0	0	113.2	M594 K595 L601	M594-A598 PolarHBondContact O-N 3.23Å; M594-A598 VanDerWaalsContact O-N 3.1Å; K595-A598 WeakPolarHBondContact O-CB 3.48Å; K595-A598 PolarHBondContact O-N 3.49Å; A598-L601 VanDerWaalsContact O-O 3.07Å
599	G	74.6	Confident	79.9	Confident	35 Å²	35	54 Å²	54	36%	0.361	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-28	174	0	0	0	0	0	113.8	R463 L597	R463-G599 PolarHBondContact NH2-O 2.92Å; L597-G599 VanDerWaalsContact C-N 3.25Å; L597-G599 PolarHBondContact O-N 3.4Å
600	L	81.6	Confident	79.7	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.031	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-18.9	-175.3	-63.5	176.9	0	0	0	113.8	A442 N462 R463 L466 L597	A442-L600 HydrophobicContact CB-CD1 4.11Å; A442-L600 HydrophobicContact CB-CD2 3.82Å; A442-L600 HydrophobicContact CB-CG 4.49Å; N462-L600 HydrophobicContact CB-CD2 3.9Å; R463-L600 WeakPolarHBondContact CA-O 3.21Å; R463-L600 WeakPolarHBondContact CB-O 3.42Å; R463-L600 VanDerWaalsContact CG-O 3.26Å; R463-L600 WeakPolarHBondContact CG-O 3.42Å; L466-L600 HydrophobicContact CD2-CB 3.72Å; L466-L600 HydrophobicContact CD2-CD1 4.17Å; L466-L600 HydrophobicContact CD2-CG 4.48Å; L597-L600 HydrophobicContact CD2-CD1 4.29Å; L597-L600 CarbonylContact O-C 3.58Å; L597-L600 WeakPolarHBondContact O-CA 3.47Å; L597-L600 PolarHBondContact O-N 3.11Å
601	L	82.8	Confident	79.7	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.073	35%	0.351	C	S	.	.	S	Bend	trans	-123.5	132.7	-178.9	-58.5	178.6	0	0	0	110.8	L466 T533 V537 M594 L597 A598 L603	L466-L601 HydrophobicContact CD2-CD2 3.97Å; T533-L601 HydrophobicContact CG2-CD1 3.7Å; T533-L601 HydrophobicContact CG2-CD2 3.82Å; T533-L601 HydrophobicContact CG2-CG 4.37Å; V537-L601 HydrophobicContact CG2-CD1 4.36Å; V537-L601 HydrophobicContact CG2-CD2 4.18Å; M594-L601 HydrophobicContact CE-CD1 3.89Å; L597-L601 HydrophobicContact CB-CD1 3.85Å; L597-L601 HydrophobicContact CB-CG 4.19Å; L597-L601 HydrophobicContact CD1-CD1 3.98Å; L597-L601 HydrophobicContact CG-CD1 4.48Å; L597-L601 PolarHBondContact O-N 3.32Å; A598-L601 VanDerWaalsContact O-O 3.07Å; L601-L603 HydrophobicContact CB-CD1 3.6Å; L601-L603 HydrophobicContact CB-CG 3.9Å; L601-L603 HydrophobicContact CD1-CD1 4.04Å; L601-L603 HydrophobicContact CG-CD1 4.49Å; L601-L603 PolarHBondContact O-N 3.19Å; L601-L603 VanDerWaalsContact O-N 3.12Å
602	A	68.8	Low	79.8	Confident	56 Å²	56	60.2 Å²	60.2	46%	0.463	36%	0.357	S	S	.	.			trans	-79.6	93	174.1	0	0	0	0	0	110.2
603	L	66.8	Low	80.1	Confident	59 Å²	59	59.9 Å²	59.9	31%	0.309	35%	0.349	S	S	.	.			trans	-119.5	139.5	-175.6	-65.7	160.7	0	0	0	111.6	V537 M594 L601	V537-L603 HydrophobicContact CG2-CD2 4.43Å; M594-L603 HydrophobicContact CE-CD1 3.04Å; M594-L603 HydrophobicContact CE-CD2 4.47Å; M594-L603 HydrophobicContact CE-CG 4.35Å; L601-L603 HydrophobicContact CB-CD1 3.6Å; L601-L603 HydrophobicContact CB-CG 3.9Å; L601-L603 HydrophobicContact CD1-CD1 4.04Å; L601-L603 HydrophobicContact CG-CD1 4.49Å; L601-L603 PolarHBondContact O-N 3.19Å; L601-L603 VanDerWaalsContact O-N 3.12Å
604	G	63.8	Low	80.4	Confident	69 Å²	69	59.9 Å²	59.9	71%	0.711	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-75.2	171.2	170.3	0	0	0	0	0	111.8	D606	G604-D606 PolarHBondContact O-N 3.39Å
605	K	61.7	Low	80.6	Confident	223 Å²	223	58.6 Å²	58.6	97%	0.97	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-61.4	122.1	171.6	-68.8	-174.9	177.6	-178.4	0	109.2
606	D	66.5	Low	80.8	Confident	79 Å²	79	54.8 Å²	54.8	42%	0.422	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-97.1	127.9	171.9	-166.1	-17.6	0	0	0	108.2	G604 G608	G604-D606 PolarHBondContact O-N 3.39Å; D606-G608 VanDerWaalsContact C-N 3.28Å; D606-G608 PolarHBondContact OD1-N 3.09Å
607	D	67.8	Low	81.1	Confident	135 Å²	135	55.7 Å²	55.7	72%	0.722	34%	0.343	S	S	*	.			trans	-86.2	0.8	179.6	63.4	-0.4	0	0	0	112.6	S609	D607-S609 VanDerWaalsContact C-N 3.27Å; D607-S609 PolarHBondContact O-N 2.72Å; D607-S609 WeakPolarHBondContact OD1-CB 3.23Å; D607-S609 PolarHBondContact OD1-N 3.2Å; D607-S609 PolarHBondContact OD1-OG 2.96Å
608	G	76.7	Confident	81.3	Confident	22 Å²	22	55.7 Å²	55.7	23%	0.227	34%	0.343	C	S	.	.	S	Bend	trans	81.4	1.1	-179.1	0	0	0	0	0	113.9	D606 Q610 K611 V612	D606-G608 VanDerWaalsContact C-N 3.28Å; D606-G608 PolarHBondContact OD1-N 3.09Å; G608-Q610 VanDerWaalsContact C-N 3.27Å; G608-Q610 PolarHBondContact O-N 2.98Å; G608-K611 WeakPolarHBondContact O-CB 3.24Å; G608-K611 PolarHBondContact O-N 2.88Å; G608-V612 PolarHBondContact O-N 3.23Å
609	S	85	Confident	81.7	Confident	53 Å²	53	55.3 Å²	55.3	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-38.3	178.2	60.4	0	0	0	0	112.6	D607 K611 V612 W613	D607-S609 VanDerWaalsContact C-N 3.27Å; D607-S609 PolarHBondContact O-N 2.72Å; D607-S609 WeakPolarHBondContact OD1-CB 3.23Å; D607-S609 PolarHBondContact OD1-N 3.2Å; D607-S609 PolarHBondContact OD1-OG 2.96Å; S609-K611 VanDerWaalsContact C-N 3.34Å; S609-K611 PolarHBondContact O-N 2.86Å; S609-V612 PolarHBondContact O-N 2.77Å; S609-W613 WeakPolarHBondContact O-CB 3.49Å; S609-W613 PolarHBondContact O-N 3.47Å
610	Q	88.2	Confident	82.6	Confident	47 Å²	47	57.4 Å²	57.4	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-67	-35.7	-179.8	-60.4	-59.5	-26.9	0	0	112.1	F559 L589 G608 A614	F559-Q610 HydrophobicContact CD1-CG 4.47Å; L589-Q610 HydrophobicContact CD2-CB 4.18Å; G608-Q610 VanDerWaalsContact C-N 3.27Å; G608-Q610 PolarHBondContact O-N 2.98Å; Q610-A614 VanDerWaalsContact O-CB 3.26Å; Q610-A614 WeakPolarHBondContact O-CB 3.21Å; Q610-A614 PolarHBondContact O-N 3.05Å
611	K	91.1	Very high	83	Confident	59 Å²	59	58.6 Å²	58.6	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-49.2	176.8	-177	-178.2	176	168.2	0	111.1	G608 S609 A614 G615 L643	G608-K611 WeakPolarHBondContact O-CB 3.24Å; G608-K611 PolarHBondContact O-N 2.88Å; S609-K611 VanDerWaalsContact C-N 3.34Å; S609-K611 PolarHBondContact O-N 2.86Å; K611-A614 PolarHBondContact O-N 2.86Å; K611-G615 PolarHBondContact O-N 3.18Å; K611-L643 WeakPolarHBondContact CE-O 3.42Å; K611-L643 HydrophobicContact CG-CD2 3.98Å; K611-L643 PolarHBondContact NZ-O 3.14Å
612	V	90.8	Very high	83.4	Confident	114 Å²	114	58.1 Å²	58.1	69%	0.691	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-45.7	179.9	178.2	0	0	0	0	110.8	G608 S609 A614 G615 G616	G608-V612 PolarHBondContact O-N 3.23Å; S609-V612 PolarHBondContact O-N 2.77Å; V612-A614 PolarHBondContact O-N 2.79Å; V612-G615 PolarHBondContact O-N 3.14Å; V612-G616 PolarHBondContact O-N 2.66Å; V612-G616 VanDerWaalsContact O-N 3.15Å
613	W	93.8	Very high	84.2	Confident	55 Å²	55	59.1 Å²	59.1	21%	0.208	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-45.5	175.9	172.1	91.2	0	0	0	112.3	Q560 F563 R564 S609 G615 G616 F617	Q560-W613 HydrophobicContact CB-CH2 3.7Å; Q560-W613 HydrophobicContact CB-CZ2 3.55Å; Q560-W613 HydrophobicContact CB-CZ3 4.24Å; Q560-W613 HydrophobicContact CG-CD2 3.81Å; Q560-W613 HydrophobicContact CG-CE3 3.93Å; Q560-W613 HydrophobicContact CG-CG 4.48Å; Q560-W613 HydrophobicContact CG-CH2 3.91Å; Q560-W613 HydrophobicContact CG-CZ2 3.75Å; Q560-W613 HydrophobicContact CG-CZ3 4Å; F563-W613 HydrophobicContact CB-CH2 4.25Å; F563-W613 HydrophobicContact CB-CZ3 4.16Å; F563-W613 AromaticContact CD1-CH2 3.98Å; F563-W613 HydrophobicContact CD1-CH2 3.98Å; F563-W613 AromaticContact CD1-CZ3 3.66Å; F563-W613 HydrophobicContact CD1-CZ3 3.66Å; F563-W613 HydrophobicContact CE1-CZ3 4.31Å; F563-W613 HydrophobicContact CG-CH2 4.45Å; F563-W613 HydrophobicContact CG-CZ3 4.05Å; R564-W613 HydrophobicContact CG-CH2 4.24Å; R564-W613 HydrophobicContact CG-CZ2 4.43Å; S609-W613 WeakPolarHBondContact O-CB 3.49Å; S609-W613 PolarHBondContact O-N 3.47Å; W613-G615 VanDerWaalsContact C-N 3.32Å; W613-G615 PolarHBondContact O-N 3.35Å; W613-G616 PolarHBondContact O-N 3.49Å; W613-F617 HydrophobicContact CH2-CB 4.5Å; W613-F617 HydrophobicContact CH2-CG 4.4Å; W613-F617 HydrophobicContact CZ2-CB 4.5Å; W613-F617 PolarHBondContact O-N 3.31Å
614	A	93.7	Very high	84.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64	-38.3	-179.7	0	0	0	0	0	111.6	F563 L589 Q610 K611 V612 F617 L618 L643	F563-A614 HydrophobicContact CE1-CB 4.3Å; F563-A614 HydrophobicContact CZ-CB 4.27Å; L589-A614 HydrophobicContact CD1-CB 3.45Å; L589-A614 VanDerWaalsContact CD1-CB 3.45Å; Q610-A614 VanDerWaalsContact O-CB 3.26Å; Q610-A614 WeakPolarHBondContact O-CB 3.21Å; Q610-A614 PolarHBondContact O-N 3.05Å; K611-A614 PolarHBondContact O-N 2.86Å; V612-A614 PolarHBondContact O-N 2.79Å; A614-F617 PolarHBondContact O-N 3.39Å; A614-L618 WeakPolarHBondContact O-CG 3.49Å; A614-L618 PolarHBondContact O-N 3.05Å; A614-L643 HydrophobicContact CB-CD1 4.32Å
615	G	92.7	Very high	84.8	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-57.1	-49.7	172.1	0	0	0	0	0	112.2	K611 V612 W613 F617 L618 H619	K611-G615 PolarHBondContact O-N 3.18Å; V612-G615 PolarHBondContact O-N 3.14Å; W613-G615 VanDerWaalsContact C-N 3.32Å; W613-G615 PolarHBondContact O-N 3.35Å; G615-F617 VanDerWaalsContact C-N 3.35Å; G615-F617 PolarHBondContact O-N 3.11Å; G615-L618 PolarHBondContact O-N 3.13Å; G615-H619 PolarHBondContact O-CD2 3.38Å; G615-H619 VanDerWaalsContact O-CD2 3.25Å; G615-H619 PolarHBondContact O-N 2.92Å
616	G	92.3	Very high	84.9	Confident	47 Å²	47	55 Å²	55	49%	0.485	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-39.9	176.2	0	0	0	0	0	113.2	V612 W613 H619 S620	V612-G616 PolarHBondContact O-N 2.66Å; V612-G616 VanDerWaalsContact O-N 3.15Å; W613-G616 PolarHBondContact O-N 3.49Å; G616-H619 PolarHBondContact O-N 3.24Å; G616-S620 PolarHBondContact O-N 2.85Å
617	F	93.6	Very high	85	Confident	33 Å²	33	55.9 Å²	55.9	15%	0.145	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-46.6	175.4	173	-112.6	0	0	0	112.4	F563 R564 F567 W613 A614 G615 H619 S620 L621	F563-F617 HydrophobicContact CD1-CD1 4.08Å; F563-F617 HydrophobicContact CD1-CE1 4.12Å; F563-F617 AromaticContact CE1-CD1 3.92Å; F563-F617 HydrophobicContact CE1-CD1 3.92Å; F563-F617 HydrophobicContact CE1-CE1 4.14Å; R564-F617 HydrophobicContact CB-CZ 4.41Å; R564-F617 HydrophobicContact CG-CD2 4.38Å; R564-F617 HydrophobicContact CG-CE1 4.39Å; R564-F617 HydrophobicContact CG-CE2 3.77Å; R564-F617 HydrophobicContact CG-CZ 3.77Å; F567-F617 HydrophobicContact CB-CE1 4.39Å; F567-F617 HydrophobicContact CD2-CE1 4.2Å; F567-F617 HydrophobicContact CG-CE1 4.17Å; W613-F617 HydrophobicContact CH2-CB 4.5Å; W613-F617 HydrophobicContact CH2-CG 4.4Å; W613-F617 HydrophobicContact CZ2-CB 4.5Å; W613-F617 PolarHBondContact O-N 3.31Å; A614-F617 PolarHBondContact O-N 3.39Å; G615-F617 VanDerWaalsContact C-N 3.35Å; G615-F617 PolarHBondContact O-N 3.11Å; F617-H619 PolarHBondContact O-N 2.79Å; F617-S620 WeakPolarHBondContact O-CB 3.44Å; F617-S620 PolarHBondContact O-N 3.19Å; F617-L621 HydrophobicContact CD1-CD1 4.31Å; F617-L621 HydrophobicContact CE1-CD1 3.65Å; F617-L621 HydrophobicContact CE1-CG 4.38Å; F617-L621 HydrophobicContact CE2-CD1 4.24Å; F617-L621 HydrophobicContact CE2-CD2 4.24Å; F617-L621 HydrophobicContact CE2-CG 4.16Å; F617-L621 HydrophobicContact CZ-CD1 3.62Å; F617-L621 HydrophobicContact CZ-CD2 4.25Å; F617-L621 HydrophobicContact CZ-CG 4.05Å; F617-L621 PolarHBondContact O-N 2.89Å
618	L	93.3	Very high	85.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-39.8	177.8	-69.6	174.4	0	0	0	112.2	F567 T586 A614 G615 S620 L621 L622 L636 C639 L640 L643	F567-L618 HydrophobicContact CD1-CD2 4.39Å; F567-L618 HydrophobicContact CE1-CD2 3.53Å; F567-L618 HydrophobicContact CZ-CD2 3.62Å; T586-L618 HydrophobicContact CG2-CD1 3.89Å; A614-L618 WeakPolarHBondContact O-CG 3.49Å; A614-L618 PolarHBondContact O-N 3.05Å; G615-L618 PolarHBondContact O-N 3.13Å; L618-S620 VanDerWaalsContact C-N 3.29Å; L618-S620 PolarHBondContact O-N 3.23Å; L618-L621 HydrophobicContact CD2-CD1 4.5Å; L618-L621 PolarHBondContact O-N 3.12Å; L618-L622 WeakPolarHBondContact O-CG 3.43Å; L618-L622 PolarHBondContact O-N 2.88Å; L618-L636 HydrophobicContact CD2-CD2 4Å; L618-C639 HydrophobicContact CD1-CB 3.83Å; L618-C639 HydrophobicContact CD2-CB 4.22Å; L618-L640 HydrophobicContact CB-CD2 3.92Å; L618-L640 HydrophobicContact CB-CG 4.43Å; L618-L640 HydrophobicContact CD1-CD2 3.93Å; L618-L640 HydrophobicContact CD1-CG 4.35Å; L618-L643 HydrophobicContact CD1-CD1 3.43Å; L618-L643 VanDerWaalsContact CD1-CD1 3.43Å
619	H	91.4	Very high	86.3	Confident	53 Å²	53	51.3 Å²	51.3	25%	0.245	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-36.9	174.3	-87.1	-68.5	0	0	0	112.8	G615 G616 F617 L622 S623 H645	G615-H619 PolarHBondContact O-CD2 3.38Å; G615-H619 VanDerWaalsContact O-CD2 3.25Å; G615-H619 PolarHBondContact O-N 2.92Å; G616-H619 PolarHBondContact O-N 3.24Å; F617-H619 PolarHBondContact O-N 2.79Å; H619-L622 PolarHBondContact O-N 3.18Å; H619-S623 PolarHBondContact O-N 2.96Å; H619-S623 PolarHBondContact O-OG 3.2Å; H619-H645 AromaticContact CD2-CE1 3.98Å; H619-H645 AromaticContact NE2-CE1 3.29Å; H619-H645 PolarHBondContact NE2-CE1 3.09Å; H619-H645 VanDerWaalsContact NE2-CE1 3.29Å; H619-H645 AromaticContact NE2-ND1 3.4Å; H619-H645 PolarHBondContact NE2-ND1 2.93Å
620	S	92.3	Very high	86.4	Confident	79 Å²	79	51.2 Å²	51.2	55%	0.552	32%	0.323	S	S	*	.	H	α-helix	trans	-63.3	-44	172.2	179.1	0	0	0	0	111.6	G616 F617 L618 L622 S623 S624	G616-S620 PolarHBondContact O-N 2.85Å; F617-S620 WeakPolarHBondContact O-CB 3.44Å; F617-S620 PolarHBondContact O-N 3.19Å; L618-S620 VanDerWaalsContact C-N 3.29Å; L618-S620 PolarHBondContact O-N 3.23Å; S620-L622 PolarHBondContact O-N 3.33Å; S620-S623 PolarHBondContact O-N 3.03Å; S620-S623 VanDerWaalsContact O-N 3.13Å; S620-S624 PolarHBondContact O-N 3.31Å; S620-S624 VanDerWaalsContact O-N 3.1Å
621	L	91.3	Very high	86.1	Confident	32 Å²	32	49.9 Å²	49.9	17%	0.168	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-39.7	175.9	-67.6	-178	0	0	0	112.9	F567 F617 L618 S623 S624 L636	F567-L621 HydrophobicContact CD1-CD1 4.06Å; F617-L621 HydrophobicContact CD1-CD1 4.31Å; F617-L621 HydrophobicContact CE1-CD1 3.65Å; F617-L621 HydrophobicContact CE1-CG 4.38Å; F617-L621 HydrophobicContact CE2-CD1 4.24Å; F617-L621 HydrophobicContact CE2-CD2 4.24Å; F617-L621 HydrophobicContact CE2-CG 4.16Å; F617-L621 HydrophobicContact CZ-CD1 3.62Å; F617-L621 HydrophobicContact CZ-CD2 4.25Å; F617-L621 HydrophobicContact CZ-CG 4.05Å; F617-L621 PolarHBondContact O-N 2.89Å; L618-L621 HydrophobicContact CD2-CD1 4.5Å; L618-L621 PolarHBondContact O-N 3.12Å; L621-S623 PolarHBondContact O-N 3.31Å; L621-S624 WeakPolarHBondContact O-CB 3.43Å; L621-S624 PolarHBondContact O-N 2.94Å; L621-S624 VanDerWaalsContact O-N 3.15Å; L621-S624 PolarHBondContact O-OG 3.14Å; L621-L636 HydrophobicContact CB-CD1 3.81Å; L621-L636 HydrophobicContact CB-CD2 4.43Å; L621-L636 HydrophobicContact CD1-CD2 4.06Å
622	L	89.4	Confident	85.8	Confident	4 Å²	4	51 Å²	51	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-27.8	175	-74	174	0	0	0	113.1	L618 H619 S620 L636 L640 P668 V671	L618-L622 WeakPolarHBondContact O-CG 3.43Å; L618-L622 PolarHBondContact O-N 2.88Å; H619-L622 PolarHBondContact O-N 3.18Å; S620-L622 PolarHBondContact O-N 3.33Å; L622-L636 HydrophobicContact CD2-CB 3.66Å; L622-L636 HydrophobicContact CD2-CD1 3.96Å; L622-L636 HydrophobicContact CD2-CG 4.47Å; L622-L636 HydrophobicContact CG-CB 4.19Å; L622-L636 HydrophobicContact CG-CD1 4.3Å; L622-L640 HydrophobicContact CD1-CD1 3.48Å; L622-L640 VanDerWaalsContact CD1-CD1 3.48Å; L622-P668 HydrophobicContact CB-CB 4.4Å; L622-P668 HydrophobicContact CB-CG 4.25Å; L622-V671 HydrophobicContact CD2-CB 3.79Å; L622-V671 HydrophobicContact CD2-CG1 3.55Å; L622-V671 HydrophobicContact CD2-CG2 3.77Å
623	S	86.3	Confident	85.7	Confident	76 Å²	76	46.2 Å²	46.2	53%	0.531	29%	0.292	S	S	.	.	H	α-helix	trans	-93.2	-8.7	-179.2	-52.7	0	0	0	0	112.9	H619 S620 L621	H619-S623 PolarHBondContact O-N 2.96Å; H619-S623 PolarHBondContact O-OG 3.2Å; S620-S623 PolarHBondContact O-N 3.03Å; S620-S623 VanDerWaalsContact O-N 3.13Å; L621-S623 PolarHBondContact O-N 3.31Å
624	S	82.6	Confident	85.6	Confident	67 Å²	67	43.6 Å²	43.6	47%	0.469	28%	0.282	S	S	.	.	S	Bend	trans	-64.7	152.6	-179.2	72.4	0	0	0	0	112.7	S620 L621 G626	S620-S624 PolarHBondContact O-N 3.31Å; S620-S624 VanDerWaalsContact O-N 3.1Å; L621-S624 WeakPolarHBondContact O-CB 3.43Å; L621-S624 PolarHBondContact O-N 2.94Å; L621-S624 VanDerWaalsContact O-N 3.15Å; L621-S624 PolarHBondContact O-OG 3.14Å; S624-G626 PolarHBondContact O-N 2.87Å
625	V	60.6	Low	85.5	Confident	160 Å²	160	43.7 Å²	43.7	97%	0.97	28%	0.283	S	S	*	.			trans	-74.5	101.3	-170.6	-173.5	0	0	0	0	110.6
626	G	64.5	Low	85.5	Confident	38 Å²	38	44.3 Å²	44.3	39%	0.392	29%	0.285	S	S	.	.			trans	-143.6	130.6	170.6	0	0	0	0	0	111	S624 R667	S624-G626 PolarHBondContact O-N 2.87Å; G626-R667 PolarHBondContact O-NE 3.48Å; G626-R667 VanDerWaalsContact O-NE 3.15Å
627	S	67.1	Low	85.6	Confident	98 Å²	98	42 Å²	42	69%	0.685	26%	0.262	S	S	*	.	S	Bend	trans	-73.4	-28.1	-171.5	60.7	0	0	0	0	114.1	S700	S627-S700 WeakPolarHBondContact O-CA 3.5Å; S627-S700 WeakPolarHBondContact O-CB 3.36Å; S627-S700 PolarHBondContact O-OG 3.44Å
628	V	84.8	Confident	85.6	Confident	60 Å²	60	40.8 Å²	40.8	36%	0.364	26%	0.257	S	S	.	.	S	Bend	trans	-113.6	137	-175.6	-178	0	0	0	0	111.2	S630 R667 P703	V628-S630 VanDerWaalsContact C-N 3.31Å; V628-S630 PolarHBondContact O-N 3.21Å; V628-R667 PolarHBondContact O-NH2 3.37Å; V628-P703 HydrophobicContact CG1-CG 4.04Å
629	V	88.6	Confident	85.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	26%	0.257	C	S	.	.			trans	-76.8	86.2	166.4	-170.5	0	0	0	0	107.9	V634 C670 V671 S700 L701 Q704	V629-V634 HydrophobicContact CG1-CG2 3.92Å; V629-C670 HydrophobicContact CG2-CB 3.84Å; V629-V671 HydrophobicContact CG1-CG2 4.47Å; V629-S700 WeakPolarHBondContact CB-O 3.24Å; V629-S700 WeakPolarHBondContact CG2-OG 3.45Å; V629-S700 PolarHBondContact N-O 2.95Å; V629-S700 PolarHBondContact N-OG 3.13Å; V629-L701 HydrophobicContact CB-CD2 4.36Å; V629-L701 HydrophobicContact CG2-CD2 3.93Å; V629-L701 HydrophobicContact CG2-CG 4.3Å; V629-Q704 HydrophobicContact CB-CG 4.06Å; V629-Q704 HydrophobicContact CG1-CG 3.89Å; V629-Q704 PolarHBondContact O-NE2 2.85Å
630	S	86.5	Confident	85.8	Confident	52 Å²	52	38.3 Å²	38.3	36%	0.364	25%	0.245	S	C	.	.			trans	-75.5	164.8	174.2	64	0	0	0	0	111.5	V628 R632 A633 V634	V628-S630 VanDerWaalsContact C-N 3.31Å; V628-S630 PolarHBondContact O-N 3.21Å; S630-R632 PolarHBondContact O-N 3.18Å; S630-A633 WeakPolarHBondContact O-CB 3.4Å; S630-A633 PolarHBondContact O-N 3.25Å; S630-A633 PolarHBondContact OG-N 3Å; S630-A633 VanDerWaalsContact OG-N 3.15Å; S630-V634 PolarHBondContact O-N 3.11Å
631	L	82.2	Confident	85.8	Confident	18 Å²	18	37.2 Å²	37.2	9%	0.094	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-33.6	173.3	-75.8	158.7	0	0	0	112	F174 E178 M182 A633 V634 N635 H678	F174-L631 HydrophobicContact CD2-CD1 3.92Å; F174-L631 HydrophobicContact CE2-CD1 3.68Å; E178-L631 HydrophobicContact CG-CD1 3.59Å; E178-L631 VanDerWaalsContact OE1-CD1 3.23Å; E178-L631 WeakPolarHBondContact OE1-CD1 3.25Å; E178-L631 WeakPolarHBondContact OE2-CB 3.44Å; E178-L631 VanDerWaalsContact OE2-CD1 3.25Å; E178-L631 WeakPolarHBondContact OE2-CD1 3.22Å; M182-L631 HydrophobicContact CE-CD2 3.77Å; L631-A633 PolarHBondContact O-N 2.8Å; L631-V634 CarbonylContact O-C 3.46Å; L631-V634 WeakPolarHBondContact O-CA 3.49Å; L631-V634 WeakPolarHBondContact O-CB 3.06Å; L631-V634 PolarHBondContact O-N 2.74Å; L631-V634 VanDerWaalsContact O-N 3.16Å; L631-N635 PolarHBondContact O-N 2.66Å; L631-H678 WeakPolarHBondContact CD2-CE1 3.42Å
632	R	84.7	Confident	86	Confident	83 Å²	83	35.8 Å²	35.8	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-37.7	169.8	-61.2	-172	-159.7	142.6	15.4	113.3	Q571 A573 E574 S630 V634 N635	Q571-R632 PolarHBondContact O-NH1 3.5Å; A573-R632 PolarHBondContact O-NE 3.3Å; A573-R632 PolarHBondContact O-NH2 3.31Å; A573-R632 VanDerWaalsContact O-NH2 3.09Å; E574-R632 VanDerWaalsContact C-NH2 3.35Å; E574-R632 VanDerWaalsContact CA-NH2 3.29Å; E574-R632 PolarHBondContact O-NH2 3.33Å; S630-R632 PolarHBondContact O-N 3.18Å; R632-V634 VanDerWaalsContact C-N 3.33Å; R632-N635 WeakPolarHBondContact O-CB 3.29Å; R632-N635 PolarHBondContact O-N 3.17Å
633	A	89.3	Confident	86.2	Confident	13 Å²	13	35.7 Å²	35.7	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-43.4	172.8	0	0	0	0	0	110.2	S630 L631 N635 L636 V671	S630-A633 WeakPolarHBondContact O-CB 3.4Å; S630-A633 PolarHBondContact O-N 3.25Å; S630-A633 PolarHBondContact OG-N 3Å; S630-A633 VanDerWaalsContact OG-N 3.15Å; L631-A633 PolarHBondContact O-N 2.8Å; A633-N635 PolarHBondContact O-N 3.18Å; A633-L636 VanDerWaalsContact O-CB 3.28Å; A633-L636 WeakPolarHBondContact O-CB 3.34Å; A633-L636 PolarHBondContact O-N 2.94Å; A633-L636 VanDerWaalsContact O-N 3.09Å; A633-V671 HydrophobicContact CB-CG2 4.23Å; A633-V671 WeakPolarHBondContact O-CG1 3.4Å
634	V	90.8	Very high	86.3	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.3	-31.5	174.6	178.2	0	0	0	0	112.1	V629 S630 L631 R632 L636 A637 Y638 F675 H678	V629-V634 HydrophobicContact CG1-CG2 3.92Å; S630-V634 PolarHBondContact O-N 3.11Å; L631-V634 CarbonylContact O-C 3.46Å; L631-V634 WeakPolarHBondContact O-CA 3.49Å; L631-V634 WeakPolarHBondContact O-CB 3.06Å; L631-V634 PolarHBondContact O-N 2.74Å; L631-V634 VanDerWaalsContact O-N 3.16Å; R632-V634 VanDerWaalsContact C-N 3.33Å; V634-L636 PolarHBondContact O-N 3.36Å; V634-A637 WeakPolarHBondContact O-CB 3.39Å; V634-A637 PolarHBondContact O-N 3.45Å; V634-Y638 HydrophobicContact CG1-CD2 4.22Å; V634-Y638 HydrophobicContact CG1-CE2 3.96Å; V634-Y638 WeakPolarHBondContact O-CD2 3.49Å; V634-Y638 PolarHBondContact O-N 2.84Å; V634-F675 VanDerWaalsContact CG1-CA 3.48Å; V634-F675 HydrophobicContact CG1-CB 3.83Å; V634-H678 WeakPolarHBondContact CG1-ND1 3.41Å
635	N	90.8	Very high	86.4	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-54.3	-34.8	173	-157.4	51.1	0	0	0	112.6	D579 V582 R583 L631 R632 A633 A637 Y638 C639	D579-N635 PolarHBondContact O-ND2 2.81Å; V582-N635 WeakPolarHBondContact CG2-ND2 3.24Å; R583-N635 PolarHBondContact NE-OD1 3.05Å; R583-N635 PolarHBondContact NH2-OD1 3.36Å; L631-N635 PolarHBondContact O-N 2.66Å; R632-N635 WeakPolarHBondContact O-CB 3.29Å; R632-N635 PolarHBondContact O-N 3.17Å; A633-N635 PolarHBondContact O-N 3.18Å; N635-A637 VanDerWaalsContact C-N 3.31Å; N635-A637 PolarHBondContact O-N 2.96Å; N635-Y638 WeakPolarHBondContact O-CB 3.44Å; N635-Y638 PolarHBondContact O-N 2.82Å; N635-Y638 VanDerWaalsContact O-N 3.14Å; N635-C639 PolarHBondContact O-N 3.31Å; N635-C639 PolarHBondContact O-SG 3.26Å; N635-C639 VanDerWaalsContact O-SG 3.34Å
636	L	92.9	Very high	87.6	Confident	14 Å²	14	29.2 Å²	29.2	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-35.6	176.9	-58.3	175.9	0	0	0	112.2	F567 L618 L621 L622 A633 V634 C639 L640	F567-L636 HydrophobicContact CD1-CD2 4.04Å; F567-L636 HydrophobicContact CE1-CD2 3.78Å; L618-L636 HydrophobicContact CD2-CD2 4Å; L621-L636 HydrophobicContact CB-CD1 3.81Å; L621-L636 HydrophobicContact CB-CD2 4.43Å; L621-L636 HydrophobicContact CD1-CD2 4.06Å; L622-L636 HydrophobicContact CD2-CB 3.66Å; L622-L636 HydrophobicContact CD2-CD1 3.96Å; L622-L636 HydrophobicContact CD2-CG 4.47Å; L622-L636 HydrophobicContact CG-CB 4.19Å; L622-L636 HydrophobicContact CG-CD1 4.3Å; A633-L636 VanDerWaalsContact O-CB 3.28Å; A633-L636 WeakPolarHBondContact O-CB 3.34Å; A633-L636 PolarHBondContact O-N 2.94Å; A633-L636 VanDerWaalsContact O-N 3.09Å; V634-L636 PolarHBondContact O-N 3.36Å; L636-C639 WeakPolarHBondContact O-CB 3.28Å; L636-C639 PolarHBondContact O-N 3.28Å; L636-L640 PolarHBondContact O-N 2.92Å
637	A	94.3	Very high	88.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.6	-34.1	174.3	0	0	0	0	0	111.9	V634 N635 L640 Q641 V671 V672 F675	V634-A637 WeakPolarHBondContact O-CB 3.39Å; V634-A637 PolarHBondContact O-N 3.45Å; N635-A637 VanDerWaalsContact C-N 3.31Å; N635-A637 PolarHBondContact O-N 2.96Å; A637-L640 PolarHBondContact O-N 3.33Å; A637-Q641 PolarHBondContact O-N 3.14Å; A637-V671 HydrophobicContact CB-CG1 4.08Å; A637-V672 HydrophobicContact CB-CG2 4.36Å; A637-F675 HydrophobicContact CB-CB 3.68Å; A637-F675 HydrophobicContact CB-CD2 4.22Å; A637-F675 HydrophobicContact CB-CG 3.94Å
638	Y	93.5	Very high	90	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-44	167.8	-77.8	-85	0	0	0	111.5	M182 I396 R583 V634 N635 L640 Q641 E642 F675 V679	M182-Y638 HydrophobicContact CE-CE2 3.86Å; M182-Y638 HydrophobicContact SD-CE2 3.88Å; I396-Y638 HydrophobicContact CD1-CD1 3.85Å; I396-Y638 HydrophobicContact CD1-CE1 4.18Å; I396-Y638 HydrophobicContact CG1-CD1 4.36Å; I396-Y638 HydrophobicContact CG1-CE1 4.19Å; R583-Y638 VanDerWaalsContact CZ-CG 3.42Å; V634-Y638 HydrophobicContact CG1-CD2 4.22Å; V634-Y638 HydrophobicContact CG1-CE2 3.96Å; V634-Y638 WeakPolarHBondContact O-CD2 3.49Å; V634-Y638 PolarHBondContact O-N 2.84Å; N635-Y638 WeakPolarHBondContact O-CB 3.44Å; N635-Y638 PolarHBondContact O-N 2.82Å; N635-Y638 VanDerWaalsContact O-N 3.14Å; Y638-L640 VanDerWaalsContact C-N 3.33Å; Y638-L640 PolarHBondContact O-N 3.44Å; Y638-Q641 WeakPolarHBondContact O-CB 3.29Å; Y638-Q641 PolarHBondContact O-N 3.41Å; Y638-Q641 VanDerWaalsContact O-N 3.12Å; Y638-E642 WeakPolarHBondContact O-CG 3.37Å; Y638-E642 PolarHBondContact O-N 2.99Å; Y638-F675 HydrophobicContact CD1-CD2 4.05Å; Y638-F675 AromaticContact CD1-CE2 3.58Å; Y638-F675 HydrophobicContact CD1-CE2 3.58Å; Y638-F675 AromaticContact CD2-CD2 3.75Å; Y638-F675 HydrophobicContact CD2-CD2 3.75Å; Y638-F675 HydrophobicContact CD2-CE2 4.15Å; Y638-F675 HydrophobicContact CE1-CD2 4.04Å; Y638-F675 AromaticContact CE1-CE2 3.65Å; Y638-F675 HydrophobicContact CE1-CE2 3.65Å; Y638-F675 AromaticContact CE2-CD2 3.77Å; Y638-F675 HydrophobicContact CE2-CD2 3.77Å; Y638-F675 HydrophobicContact CE2-CE2 4.24Å; Y638-F675 AromaticContact CG-CD2 3.9Å; Y638-F675 HydrophobicContact CG-CD2 3.9Å; Y638-F675 AromaticContact CG-CE2 3.83Å; Y638-F675 HydrophobicContact CG-CE2 3.83Å; Y638-F675 AromaticContact CZ-CD2 3.91Å; Y638-F675 AromaticContact CZ-CE2 3.99Å; Y638-V679 HydrophobicContact CE1-CG1 3.64Å; Y638-V679 WeakPolarHBondContact OH-CG1 3.5Å
639	C	95	Very high	90.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-39.5	176	-63.5	0	0	0	0	112.3	T586 L618 N635 L636 Q641 E642 L643	T586-C639 HydrophobicContact CG2-CB 3.99Å; L618-C639 HydrophobicContact CD1-CB 3.83Å; L618-C639 HydrophobicContact CD2-CB 4.22Å; N635-C639 PolarHBondContact O-N 3.31Å; N635-C639 PolarHBondContact O-SG 3.26Å; N635-C639 VanDerWaalsContact O-SG 3.34Å; L636-C639 WeakPolarHBondContact O-CB 3.28Å; L636-C639 PolarHBondContact O-N 3.28Å; C639-Q641 VanDerWaalsContact C-N 3.32Å; C639-Q641 PolarHBondContact O-N 3.41Å; C639-E642 PolarHBondContact O-N 3.22Å; C639-L643 PolarHBondContact O-N 2.85Å
640	L	94	Very high	90.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-38.8	172.9	-74.1	179.6	0	0	0	112.3	L618 L622 L636 A637 Y638 L643 Q644 H645 L649	L618-L640 HydrophobicContact CB-CD2 3.92Å; L618-L640 HydrophobicContact CB-CG 4.43Å; L618-L640 HydrophobicContact CD1-CD2 3.93Å; L618-L640 HydrophobicContact CD1-CG 4.35Å; L622-L640 HydrophobicContact CD1-CD1 3.48Å; L622-L640 VanDerWaalsContact CD1-CD1 3.48Å; L636-L640 PolarHBondContact O-N 2.92Å; A637-L640 PolarHBondContact O-N 3.33Å; Y638-L640 VanDerWaalsContact C-N 3.33Å; Y638-L640 PolarHBondContact O-N 3.44Å; L640-L643 PolarHBondContact O-N 3.36Å; L640-Q644 PolarHBondContact O-N 3.35Å; L640-H645 HydrophobicContact CD2-CB 4.2Å; L640-H645 PolarHBondContact O-N 3.06Å; L640-L649 HydrophobicContact CB-CD1 4.23Å; L640-L649 HydrophobicContact CD1-CD1 4.27Å
641	Q	93.7	Very high	91.1	Very high	57 Å²	57	35.7 Å²	35.7	27%	0.266	17%	0.169	S	C	.	.	H	α-helix	trans	-65.7	-40.2	174.8	-176.3	61.3	19.1	0	0	111.9	I396 A637 Y638 C639 L643 Q644 L649 F675	I396-Q641 HydrophobicContact CD1-CB 4.05Å; I396-Q641 HydrophobicContact CD1-CG 3.41Å; I396-Q641 VanDerWaalsContact CD1-CG 3.41Å; A637-Q641 PolarHBondContact O-N 3.14Å; Y638-Q641 WeakPolarHBondContact O-CB 3.29Å; Y638-Q641 PolarHBondContact O-N 3.41Å; Y638-Q641 VanDerWaalsContact O-N 3.12Å; C639-Q641 VanDerWaalsContact C-N 3.32Å; C639-Q641 PolarHBondContact O-N 3.41Å; Q641-L643 VanDerWaalsContact C-N 3.31Å; Q641-L643 PolarHBondContact O-N 2.96Å; Q641-Q644 WeakPolarHBondContact O-CA 3.3Å; Q641-Q644 PolarHBondContact O-N 2.87Å; Q641-L649 HydrophobicContact CB-CD2 3.86Å; Q641-L649 HydrophobicContact CG-CD2 4.49Å; Q641-F675 HydrophobicContact CB-CZ 4.3Å; Q641-F675 HydrophobicContact CG-CZ 4.36Å
642	E	94.9	Very high	91.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-32.2	174.1	-68.8	-62.6	145.6	0	0	112.5	T429 C430 T431 R583 C590 Y638 C639 Q644	T429-E642 WeakPolarHBondContact CB-OE2 3.29Å; T429-E642 PolarHBondContact OG1-OE2 3.27Å; C430-E642 VanDerWaalsContact CB-OE1 3.22Å; C430-E642 WeakPolarHBondContact CB-OE1 3.33Å; C430-E642 PolarHBondContact N-OE1 2.95Å; T431-E642 WeakPolarHBondContact CB-OE2 3.33Å; T431-E642 PolarHBondContact N-OE2 2.86Å; T431-E642 PolarHBondContact OG1-OE2 3.29Å; R583-E642 HydrophobicContact CB-CG 4.37Å; C590-E642 PolarHBondContact SG-O 3.19Å; C590-E642 VanDerWaalsContact SG-O 3.34Å; Y638-E642 WeakPolarHBondContact O-CG 3.37Å; Y638-E642 PolarHBondContact O-N 2.99Å; C639-E642 PolarHBondContact O-N 3.22Å; E642-Q644 PolarHBondContact O-N 3.08Å
643	L	92.6	Very high	92.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.7	169.2	-76.8	168.1	0	0	0	113.8	T586 L589 C590 K611 A614 L618 C639 L640 Q641 H645	T586-L643 HydrophobicContact CG2-CD1 3.39Å; T586-L643 HydrophobicContact CG2-CD2 3.83Å; T586-L643 HydrophobicContact CG2-CG 3.32Å; T586-L643 WeakPolarHBondContact O-CD2 3.41Å; L589-L643 HydrophobicContact CB-CD2 3.94Å; L589-L643 HydrophobicContact CD1-CD2 4.25Å; C590-L643 VanDerWaalsContact SG-C 3.54Å; C590-L643 VanDerWaalsContact SG-CA 3.56Å; C590-L643 PolarHBondContact SG-O 3.11Å; C590-L643 VanDerWaalsContact SG-O 3.42Å; K611-L643 WeakPolarHBondContact CE-O 3.42Å; K611-L643 HydrophobicContact CG-CD2 3.98Å; K611-L643 PolarHBondContact NZ-O 3.14Å; A614-L643 HydrophobicContact CB-CD1 4.32Å; L618-L643 HydrophobicContact CD1-CD1 3.43Å; L618-L643 VanDerWaalsContact CD1-CD1 3.43Å; C639-L643 PolarHBondContact O-N 2.85Å; L640-L643 PolarHBondContact O-N 3.36Å; Q641-L643 VanDerWaalsContact C-N 3.31Å; Q641-L643 PolarHBondContact O-N 2.96Å; L643-H645 HydrophobicContact CB-CB 4.2Å; L643-H645 PolarHBondContact O-N 3.45Å
644	Q	88.9	Confident	92.5	Very high	82 Å²	82	37 Å²	37	38%	0.383	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	30.2	-169.1	-51.1	178.1	23.2	0	0	112.6	T429 E432 T592 L640 Q641 E642 G646	T429-Q644 HydrophobicContact CG2-CG 4.26Å; E432-Q644 PolarHBondContact OE1-NE2 3.41Å; T592-Q644 PolarHBondContact OG1-NE2 3.24Å; T592-Q644 VanDerWaalsContact OG1-NE2 3.13Å; L640-Q644 PolarHBondContact O-N 3.35Å; Q641-Q644 WeakPolarHBondContact O-CA 3.3Å; Q641-Q644 PolarHBondContact O-N 2.87Å; E642-Q644 PolarHBondContact O-N 3.08Å; Q644-G646 VanDerWaalsContact C-N 3.31Å; Q644-G646 PolarHBondContact O-N 3.24Å
645	H	85.5	Confident	92.7	Very high	74 Å²	74	37.6 Å²	37.6	34%	0.343	18%	0.179	S	C	.	.			trans	-92.5	64.4	175.9	-162.9	-71.6	0	0	0	110	H619 L640 L643	H619-H645 AromaticContact CD2-CE1 3.98Å; H619-H645 AromaticContact NE2-CE1 3.29Å; H619-H645 PolarHBondContact NE2-CE1 3.09Å; H619-H645 VanDerWaalsContact NE2-CE1 3.29Å; H619-H645 AromaticContact NE2-ND1 3.4Å; H619-H645 PolarHBondContact NE2-ND1 2.93Å; L640-H645 HydrophobicContact CD2-CB 4.2Å; L640-H645 PolarHBondContact O-N 3.06Å; L643-H645 HydrophobicContact CB-CB 4.2Å; L643-H645 PolarHBondContact O-N 3.45Å
646	G	84.3	Confident	92.8	Very high	12 Å²	12	37.9 Å²	37.9	12%	0.124	18%	0.181	C	C	.	.			trans	-94.2	9	-163.3	0	0	0	0	0	117.2	Q644 L649 R650	Q644-G646 VanDerWaalsContact C-N 3.31Å; Q644-G646 PolarHBondContact O-N 3.24Å; G646-L649 PolarHBondContact O-N 2.99Å; G646-R650 WeakPolarHBondContact O-CB 3.32Å; G646-R650 WeakPolarHBondContact O-CG 3.47Å; G646-R650 PolarHBondContact O-N 2.89Å
647	E	90.8	Very high	92.7	Very high	135 Å²	135	44.2 Å²	44.2	63%	0.631	20%	0.204	S	C	*	.	H	α-helix	trans	-60.8	-51.8	-176.1	-70.4	-179.6	177	0	0	112.8	L649 R650 S651	E647-L649 VanDerWaalsContact C-N 3.28Å; E647-L649 PolarHBondContact O-N 3.48Å; E647-R650 PolarHBondContact O-N 2.91Å; E647-S651 WeakPolarHBondContact O-CB 3.33Å; E647-S651 PolarHBondContact O-N 3.36Å
648	L	91.8	Very high	92.6	Very high	31 Å²	31	50.3 Å²	50.3	16%	0.162	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-38	176.5	-178	65.2	0	0	0	111.5	S651 V652 P668 V672	L648-S651 PolarHBondContact O-N 2.96Å; L648-V652 HydrophobicContact CD1-CG2 4.07Å; L648-V652 HydrophobicContact CG-CG2 4.37Å; L648-V652 VanDerWaalsContact O-CG2 3.23Å; L648-V652 WeakPolarHBondContact O-CG2 3.45Å; L648-V652 PolarHBondContact O-N 2.93Å; L648-P668 HydrophobicContact CD2-CB 3.84Å; L648-V672 HydrophobicContact CD2-CG2 3.84Å; L648-V672 HydrophobicContact CG-CG2 4.01Å
649	L	92.9	Very high	92.4	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-49.4	179	-78.6	66.7	0	0	0	110.9	L640 Q641 G646 E647 E653 V672 F675	L640-L649 HydrophobicContact CB-CD1 4.23Å; L640-L649 HydrophobicContact CD1-CD1 4.27Å; Q641-L649 HydrophobicContact CB-CD2 3.86Å; Q641-L649 HydrophobicContact CG-CD2 4.49Å; G646-L649 PolarHBondContact O-N 2.99Å; E647-L649 VanDerWaalsContact C-N 3.28Å; E647-L649 PolarHBondContact O-N 3.48Å; L649-E653 WeakPolarHBondContact O-CB 3.41Å; L649-E653 PolarHBondContact O-N 3.41Å; L649-E653 VanDerWaalsContact O-N 3.1Å; L649-V672 HydrophobicContact CB-CG1 4.47Å; L649-V672 HydrophobicContact CD1-CG2 4.17Å; L649-V672 HydrophobicContact CG-CG1 4.24Å; L649-F675 HydrophobicContact CD2-CD1 4.15Å; L649-F675 HydrophobicContact CD2-CE1 3.64Å; L649-F675 HydrophobicContact CD2-CZ 4.07Å; L649-F675 HydrophobicContact CG-CD1 4.4Å; L649-F675 HydrophobicContact CG-CE1 4.28Å
650	R	94.4	Very high	92.2	Very high	159 Å²	159	53.4 Å²	53.4	60%	0.6	26%	0.261	S	S	*	.	H	α-helix	trans	-63.7	-43.8	177.3	-72.8	-176.2	-71	115.9	-5.7	112	G646 E647 E653 E654	G646-R650 WeakPolarHBondContact O-CB 3.32Å; G646-R650 WeakPolarHBondContact O-CG 3.47Å; G646-R650 PolarHBondContact O-N 2.89Å; E647-R650 PolarHBondContact O-N 2.91Å; R650-E653 PolarHBondContact O-N 3.13Å; R650-E654 WeakPolarHBondContact O-CB 3.49Å; R650-E654 PolarHBondContact O-N 2.94Å
651	S	95.4	Very high	92.1	Very high	52 Å²	52	53.5 Å²	53.5	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-46.4	-179.9	173.9	0	0	0	0	112.3	E647 L648 E653 E654 D655	E647-S651 WeakPolarHBondContact O-CB 3.33Å; E647-S651 PolarHBondContact O-N 3.36Å; L648-S651 PolarHBondContact O-N 2.96Å; S651-E653 VanDerWaalsContact C-N 3.32Å; S651-E653 PolarHBondContact O-N 3.34Å; S651-E654 PolarHBondContact O-N 2.9Å; S651-D655 WeakPolarHBondContact O-CB 3.41Å; S651-D655 PolarHBondContact O-N 2.98Å
652	V	95.8	Very high	92	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-37.7	178.1	176.8	0	0	0	0	111.1	L648 L656 L661 H669 V672 L676	L648-V652 HydrophobicContact CD1-CG2 4.07Å; L648-V652 HydrophobicContact CG-CG2 4.37Å; L648-V652 VanDerWaalsContact O-CG2 3.23Å; L648-V652 WeakPolarHBondContact O-CG2 3.45Å; L648-V652 PolarHBondContact O-N 2.93Å; V652-L656 WeakPolarHBondContact O-CB 3.46Å; V652-L656 PolarHBondContact O-N 3.47Å; V652-L661 HydrophobicContact CG1-CD1 4.33Å; V652-H669 HydrophobicContact CG2-CB 4.23Å; V652-V672 HydrophobicContact CB-CB 4.34Å; V652-V672 HydrophobicContact CB-CG1 3.58Å; V652-V672 HydrophobicContact CG1-CB 4.37Å; V652-V672 HydrophobicContact CG1-CG1 3.87Å; V652-V672 HydrophobicContact CG2-CB 4.08Å; V652-V672 HydrophobicContact CG2-CG1 3.75Å; V652-L676 HydrophobicContact CB-CD1 4.18Å; V652-L676 HydrophobicContact CG1-CD1 3.82Å
653	E	95.3	Very high	91.7	Very high	33 Å²	33	56.9 Å²	56.9	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-45.9	177.9	-170.6	-179.7	153.1	0	0	112.1	K395 L649 R650 S651 L656 R657 L676	K395-E653 IonicContact NZ-OE1 3.77Å; K395-E653 PolarHBondContact NZ-OE1 2.99Å; K395-E653 IonicContact NZ-OE2 3.89Å; K395-E653 PolarHBondContact NZ-OE2 3.43Å; L649-E653 WeakPolarHBondContact O-CB 3.41Å; L649-E653 PolarHBondContact O-N 3.41Å; L649-E653 VanDerWaalsContact O-N 3.1Å; R650-E653 PolarHBondContact O-N 3.13Å; S651-E653 VanDerWaalsContact C-N 3.32Å; S651-E653 PolarHBondContact O-N 3.34Å; E653-L656 PolarHBondContact O-N 3.46Å; E653-R657 WeakPolarHBondContact O-CG 3.42Å; E653-R657 PolarHBondContact O-N 2.85Å; E653-R657 IonicContact OE1-CZ 2.69Å; E653-R657 IonicContact OE1-NE 3.31Å; E653-R657 PolarHBondContact OE1-NE 3.33Å; E653-R657 IonicContact OE1-NH1 3.07Å; E653-R657 PolarHBondContact OE1-NH1 3.12Å; E653-R657 IonicContact OE1-NH2 2.69Å; E653-R657 PolarHBondContact OE1-NH2 2.75Å; E653-L676 HydrophobicContact CB-CD1 3.74Å; E653-L676 HydrophobicContact CB-CD2 3.91Å; E653-L676 HydrophobicContact CB-CG 4.49Å; E653-L676 HydrophobicContact CG-CD1 4.31Å; E653-L676 HydrophobicContact CG-CD2 4.01Å; E653-L676 WeakPolarHBondContact OE2-CD2 3.27Å
654	E	94.8	Very high	91.6	Very high	109 Å²	109	61.1 Å²	61.1	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-46.1	176.2	-175.2	170.6	-171.9	0	0	111.1	R650 S651 L656 R657 Q658	R650-E654 WeakPolarHBondContact O-CB 3.49Å; R650-E654 PolarHBondContact O-N 2.94Å; S651-E654 PolarHBondContact O-N 2.9Å; E654-L656 VanDerWaalsContact C-N 3.32Å; E654-L656 PolarHBondContact O-N 3.39Å; E654-R657 PolarHBondContact O-N 3.41Å; E654-Q658 HydrophobicContact CG-CG 4.43Å; E654-Q658 VanDerWaalsContact CG-NE2 3.34Å; E654-Q658 WeakPolarHBondContact O-CB 3.36Å; E654-Q658 WeakPolarHBondContact O-CG 3.28Å; E654-Q658 PolarHBondContact O-N 3.37Å; E654-Q658 PolarHBondContact OE1-NE2 3.19Å
655	D	94.6	Very high	91.7	Very high	13 Å²	13	58.5 Å²	58.5	7%	0.07	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-37	177.9	-85	-34.9	0	0	0	112.9	S651 G659 S660 L661 K664	S651-D655 WeakPolarHBondContact O-CB 3.41Å; S651-D655 PolarHBondContact O-N 2.98Å; D655-G659 CarbonylContact O-C 3.45Å; D655-G659 PolarHBondContact O-N 3.47Å; D655-S660 VanDerWaalsContact CA-OG 3.3Å; D655-S660 WeakPolarHBondContact CA-OG 3.38Å; D655-S660 PolarHBondContact O-N 3.11Å; D655-S660 PolarHBondContact O-OG 3.37Å; D655-S660 PolarHBondContact OD1-OG 3.49Å; D655-L661 HydrophobicContact CB-CB 4.42Å; D655-L661 HydrophobicContact CB-CD1 3.96Å; D655-K664 IonicContact OD1-NZ 3.24Å; D655-K664 PolarHBondContact OD1-NZ 3.1Å; D655-K664 WeakPolarHBondContact OD2-CD 3.49Å; D655-K664 IonicContact OD2-NZ 3.08Å; D655-K664 PolarHBondContact OD2-NZ 3.24Å
656	L	93.9	Very high	92	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-41.6	175.3	-177.4	65.2	0	0	0	111.6	V652 E653 E654 G659 L661 L673 C683 T687 L689	V652-L656 WeakPolarHBondContact O-CB 3.46Å; V652-L656 PolarHBondContact O-N 3.47Å; E653-L656 PolarHBondContact O-N 3.46Å; E654-L656 VanDerWaalsContact C-N 3.32Å; E654-L656 PolarHBondContact O-N 3.39Å; L656-G659 PolarHBondContact O-N 3.33Å; L656-L661 HydrophobicContact CD1-CD2 4.3Å; L656-L673 HydrophobicContact CD1-CD1 4.2Å; L656-L673 HydrophobicContact CD2-CD1 3.75Å; L656-C683 HydrophobicContact CD2-CB 3.62Å; L656-T687 HydrophobicContact CD1-CG2 4.33Å; L656-L689 HydrophobicContact CD1-CD2 4.09Å
657	R	91.1	Very high	92.2	Very high	147 Å²	147	60.5 Å²	60.5	56%	0.555	32%	0.323	S	S	*	.	H	α-helix	trans	-67.5	-38.5	179	-75.7	175.3	171.6	-173.6	-5.2	112.4	E653 E654 E682	E653-R657 WeakPolarHBondContact O-CG 3.42Å; E653-R657 PolarHBondContact O-N 2.85Å; E653-R657 IonicContact OE1-CZ 2.69Å; E653-R657 IonicContact OE1-NE 3.31Å; E653-R657 PolarHBondContact OE1-NE 3.33Å; E653-R657 IonicContact OE1-NH1 3.07Å; E653-R657 PolarHBondContact OE1-NH1 3.12Å; E653-R657 IonicContact OE1-NH2 2.69Å; E653-R657 PolarHBondContact OE1-NH2 2.75Å; E654-R657 PolarHBondContact O-N 3.41Å; R657-E682 IonicContact NH2-OE2 3.54Å
658	Q	90.9	Very high	92.3	Very high	127 Å²	127	54.9 Å²	54.9	59%	0.593	30%	0.298	S	S	*	.	H	α-helix	trans	-82.9	-13.2	178.6	-66.6	176.6	4.5	0	0	112.8	E654 S660	E654-Q658 HydrophobicContact CG-CG 4.43Å; E654-Q658 VanDerWaalsContact CG-NE2 3.34Å; E654-Q658 WeakPolarHBondContact O-CB 3.36Å; E654-Q658 WeakPolarHBondContact O-CG 3.28Å; E654-Q658 PolarHBondContact O-N 3.37Å; E654-Q658 PolarHBondContact OE1-NE2 3.19Å; Q658-S660 VanDerWaalsContact C-N 3.34Å
659	G	90.1	Very high	92.4	Very high	35 Å²	35	55 Å²	55	36%	0.361	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	22.9	-176	0	0	0	0	0	113.8	D655 L656	D655-G659 CarbonylContact O-C 3.45Å; D655-G659 PolarHBondContact O-N 3.47Å; L656-G659 PolarHBondContact O-N 3.33Å
660	S	91.4	Very high	92.5	Very high	38 Å²	38	54.9 Å²	54.9	27%	0.266	30%	0.297	S	S	.	.			trans	-99.6	13.9	-177.3	49.1	0	0	0	0	113.9	D655 Q658 A662 K664	D655-S660 VanDerWaalsContact CA-OG 3.3Å; D655-S660 WeakPolarHBondContact CA-OG 3.38Å; D655-S660 PolarHBondContact O-N 3.11Å; D655-S660 PolarHBondContact O-OG 3.37Å; D655-S660 PolarHBondContact OD1-OG 3.49Å; Q658-S660 VanDerWaalsContact C-N 3.34Å; S660-A662 VanDerWaalsContact C-N 3.26Å; S660-A662 PolarHBondContact O-N 3.23Å; S660-K664 WeakPolarHBondContact O-CD 3.36Å; S660-K664 WeakPolarHBondContact O-CE 3.08Å
661	L	92.2	Very high	92.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.269	C	S	.	.			trans	-72.6	-15.7	-178.4	-162.8	66.4	0	0	0	113.7	V652 D655 L656 G663 K664 L665 L689	V652-L661 HydrophobicContact CG1-CD1 4.33Å; D655-L661 HydrophobicContact CB-CB 4.42Å; D655-L661 HydrophobicContact CB-CD1 3.96Å; L656-L661 HydrophobicContact CD1-CD2 4.3Å; L661-G663 PolarHBondContact O-N 2.8Å; L661-K664 PolarHBondContact O-N 3.43Å; L661-K664 VanDerWaalsContact O-N 3.08Å; L661-L665 HydrophobicContact CD1-CD2 4.12Å; L661-L665 HydrophobicContact CD2-CD1 4.42Å; L661-L665 HydrophobicContact CD2-CD2 3.74Å; L661-L665 HydrophobicContact CD2-CG 4.17Å; L661-L665 HydrophobicContact CG-CD2 3.85Å; L661-L665 HydrophobicContact CG-CG 3.99Å; L661-L689 HydrophobicContact CD2-CD2 3.82Å
662	A	90.3	Very high	92.5	Very high	48 Å²	48	44.9 Å²	44.9	40%	0.397	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	131.6	179.8	0	0	0	0	0	111.3	S660 K664 C692	S660-A662 VanDerWaalsContact C-N 3.26Å; S660-A662 PolarHBondContact O-N 3.23Å; A662-K664 PolarHBondContact O-N 3.29Å; A662-C692 PolarHBondContact N-SG 2.88Å
663	G	88.7	Confident	92.5	Very high	82 Å²	82	44.9 Å²	44.9	85%	0.845	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-5.5	-177.3	0	0	0	0	0	115.9	L661	L661-G663 PolarHBondContact O-N 2.8Å
664	K	91.3	Very high	92.4	Very high	91 Å²	91	43.3 Å²	43.3	40%	0.396	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-8.9	-178.3	-59.1	-177.8	-179.1	-177.9	0	114.3	D655 S660 L661 A662 T666 H669	D655-K664 IonicContact OD1-NZ 3.24Å; D655-K664 PolarHBondContact OD1-NZ 3.1Å; D655-K664 WeakPolarHBondContact OD2-CD 3.49Å; D655-K664 IonicContact OD2-NZ 3.08Å; D655-K664 PolarHBondContact OD2-NZ 3.24Å; S660-K664 WeakPolarHBondContact O-CD 3.36Å; S660-K664 WeakPolarHBondContact O-CE 3.08Å; L661-K664 PolarHBondContact O-N 3.43Å; L661-K664 VanDerWaalsContact O-N 3.08Å; A662-K664 PolarHBondContact O-N 3.29Å; K664-T666 PolarHBondContact O-N 3.1Å; K664-H669 PolarHBondContact O-CD2 3.04Å; K664-H669 PolarHBondContact O-CE1 3.19Å; K664-H669 PolarHBondContact O-ND1 3.33Å
665	L	90.1	Very high	92.3	Very high	27 Å²	27	38.5 Å²	38.5	14%	0.141	22%	0.222	C	C	.	.			trans	-70.2	91.7	-174.1	-80	-177.3	0	0	0	113.3	L661 H669 C692 L693	L661-L665 HydrophobicContact CD1-CD2 4.12Å; L661-L665 HydrophobicContact CD2-CD1 4.42Å; L661-L665 HydrophobicContact CD2-CD2 3.74Å; L661-L665 HydrophobicContact CD2-CG 4.17Å; L661-L665 HydrophobicContact CG-CD2 3.85Å; L661-L665 HydrophobicContact CG-CG 3.99Å; L665-H669 HydrophobicContact CD2-CB 3.89Å; L665-C692 HydrophobicContact CD1-CB 3.75Å; L665-C692 WeakPolarHBondContact CD1-O 3.47Å; L665-L693 HydrophobicContact CD1-CD2 3.49Å; L665-L693 VanDerWaalsContact CD1-CD2 3.49Å
666	T	91.3	Very high	92.3	Very high	71 Å²	71	37.9 Å²	37.9	44%	0.436	22%	0.219	S	C	.	.			trans	-91.6	173.7	162.3	78.2	0	0	0	0	111.4	K664 P668 H669 C670	K664-T666 PolarHBondContact O-N 3.1Å; T666-P668 WeakPolarHBondContact OG1-CD 3.44Å; T666-H669 WeakPolarHBondContact O-CB 3.43Å; T666-H669 PolarHBondContact O-N 3.19Å; T666-H669 VanDerWaalsContact O-N 3.08Å; T666-H669 PolarHBondContact OG1-CE1 3.46Å; T666-H669 PolarHBondContact OG1-ND1 3.23Å; T666-C670 PolarHBondContact O-N 3.12Å; T666-C670 PolarHBondContact O-SG 3.29Å
667	R	90.3	Very high	92.2	Very high	56 Å²	56	37.6 Å²	37.6	21%	0.211	22%	0.217	C	C	.	.	H	α-helix	trans	-57.8	-46.1	179.6	-176.9	72.9	-179.6	80.5	4.6	112.9	G626 V628 H669 C670 V671	G626-R667 PolarHBondContact O-NE 3.48Å; G626-R667 VanDerWaalsContact O-NE 3.15Å; V628-R667 PolarHBondContact O-NH2 3.37Å; R667-H669 VanDerWaalsContact C-N 3.34Å; R667-H669 PolarHBondContact O-N 2.87Å; R667-C670 WeakPolarHBondContact O-CB 3.22Å; R667-C670 PolarHBondContact O-N 3.2Å; R667-C670 VanDerWaalsContact O-N 3.16Å; R667-V671 PolarHBondContact O-N 2.79Å
668	P	92.4	Very high	92	Very high	17 Å²	17	30.8 Å²	30.8	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-54.6	-43.2	169.8	-29.1	32.9	0	0	0	114	L622 L648 T666 C670 V671 V672	L622-P668 HydrophobicContact CB-CB 4.4Å; L622-P668 HydrophobicContact CB-CG 4.25Å; L648-P668 HydrophobicContact CD2-CB 3.84Å; T666-P668 WeakPolarHBondContact OG1-CD 3.44Å; P668-C670 VanDerWaalsContact C-N 3.3Å; P668-C670 PolarHBondContact O-N 3.28Å; P668-V671 PolarHBondContact O-N 3Å; P668-V672 WeakPolarHBondContact O-CG2 3.36Å; P668-V672 PolarHBondContact O-N 3.33Å
669	H	93.7	Very high	91.9	Very high	33 Å²	33	24.9 Å²	24.9	15%	0.153	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-39.6	176.6	-63.6	76.6	0	0	0	111.2	V652 K664 L665 T666 R667 V672 L673	V652-H669 HydrophobicContact CG2-CB 4.23Å; K664-H669 PolarHBondContact O-CD2 3.04Å; K664-H669 PolarHBondContact O-CE1 3.19Å; K664-H669 PolarHBondContact O-ND1 3.33Å; L665-H669 HydrophobicContact CD2-CB 3.89Å; T666-H669 WeakPolarHBondContact O-CB 3.43Å; T666-H669 PolarHBondContact O-N 3.19Å; T666-H669 VanDerWaalsContact O-N 3.08Å; T666-H669 PolarHBondContact OG1-CE1 3.46Å; T666-H669 PolarHBondContact OG1-ND1 3.23Å; R667-H669 VanDerWaalsContact C-N 3.34Å; R667-H669 PolarHBondContact O-N 2.87Å; H669-V672 PolarHBondContact O-N 2.74Å; H669-L673 VanDerWaalsContact O-CB 3.27Å; H669-L673 WeakPolarHBondContact O-CB 3.15Å; H669-L673 PolarHBondContact O-N 3.41Å
670	C	94.4	Very high	91.9	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.027	15%	0.147	C	C	.	.	H	α-helix	trans	-65.5	-38	176.3	-61.9	0	0	0	0	112.3	V629 T666 R667 P668 G674 L701	V629-C670 HydrophobicContact CG2-CB 3.84Å; T666-C670 PolarHBondContact O-N 3.12Å; T666-C670 PolarHBondContact O-SG 3.29Å; R667-C670 WeakPolarHBondContact O-CB 3.22Å; R667-C670 PolarHBondContact O-N 3.2Å; R667-C670 VanDerWaalsContact O-N 3.16Å; P668-C670 VanDerWaalsContact C-N 3.3Å; P668-C670 PolarHBondContact O-N 3.28Å; C670-G674 PolarHBondContact O-N 3.43Å; C670-L701 HydrophobicContact CB-CD1 4.31Å; C670-L701 HydrophobicContact CB-CD2 3.89Å; C670-L701 HydrophobicContact CB-CG 4.13Å; C670-L701 WeakPolarHBondContact O-CD2 3.41Å
671	V	94.5	Very high	91.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-48.8	173.3	-179.9	0	0	0	0	110.6	L622 V629 A633 A637 R667 P668 L673 G674 F675	L622-V671 HydrophobicContact CD2-CB 3.79Å; L622-V671 HydrophobicContact CD2-CG1 3.55Å; L622-V671 HydrophobicContact CD2-CG2 3.77Å; V629-V671 HydrophobicContact CG1-CG2 4.47Å; A633-V671 HydrophobicContact CB-CG2 4.23Å; A633-V671 WeakPolarHBondContact O-CG1 3.4Å; A637-V671 HydrophobicContact CB-CG1 4.08Å; R667-V671 PolarHBondContact O-N 2.79Å; P668-V671 PolarHBondContact O-N 3Å; V671-L673 VanDerWaalsContact C-N 3.31Å; V671-L673 PolarHBondContact O-N 3.07Å; V671-G674 PolarHBondContact O-N 3.35Å; V671-G674 VanDerWaalsContact O-N 3.15Å; V671-F675 PolarHBondContact O-N 2.99Å
672	V	95.4	Very high	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-37.1	-179.1	171.9	0	0	0	0	111.1	A637 L648 L649 V652 P668 H669 G674 F675 L676	A637-V672 HydrophobicContact CB-CG2 4.36Å; L648-V672 HydrophobicContact CD2-CG2 3.84Å; L648-V672 HydrophobicContact CG-CG2 4.01Å; L649-V672 HydrophobicContact CB-CG1 4.47Å; L649-V672 HydrophobicContact CD1-CG2 4.17Å; L649-V672 HydrophobicContact CG-CG1 4.24Å; V652-V672 HydrophobicContact CB-CB 4.34Å; V652-V672 HydrophobicContact CB-CG1 3.58Å; V652-V672 HydrophobicContact CG1-CB 4.37Å; V652-V672 HydrophobicContact CG1-CG1 3.87Å; V652-V672 HydrophobicContact CG2-CB 4.08Å; V652-V672 HydrophobicContact CG2-CG1 3.75Å; P668-V672 WeakPolarHBondContact O-CG2 3.36Å; P668-V672 PolarHBondContact O-N 3.33Å; H669-V672 PolarHBondContact O-N 2.74Å; V672-G674 PolarHBondContact O-N 3.07Å; V672-F675 WeakPolarHBondContact O-CB 3.22Å; V672-F675 PolarHBondContact O-N 2.92Å; V672-L676 HydrophobicContact CG1-CD1 4.12Å; V672-L676 HydrophobicContact CG1-CG 4.35Å; V672-L676 VanDerWaalsContact O-CG 3.31Å; V672-L676 WeakPolarHBondContact O-CG 3.44Å; V672-L676 PolarHBondContact O-N 3.35Å
673	L	95.4	Very high	91.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-47.7	171.2	178.9	62.4	0	0	0	110.6	L656 H669 V671 F675 L676 L677 L689 L701	L656-L673 HydrophobicContact CD1-CD1 4.2Å; L656-L673 HydrophobicContact CD2-CD1 3.75Å; H669-L673 VanDerWaalsContact O-CB 3.27Å; H669-L673 WeakPolarHBondContact O-CB 3.15Å; H669-L673 PolarHBondContact O-N 3.41Å; V671-L673 VanDerWaalsContact C-N 3.31Å; V671-L673 PolarHBondContact O-N 3.07Å; L673-F675 VanDerWaalsContact C-N 3.31Å; L673-F675 PolarHBondContact O-N 3.15Å; L673-L676 PolarHBondContact O-N 3.24Å; L673-L677 HydrophobicContact CD1-CG 4.36Å; L673-L677 HydrophobicContact CG-CD1 4.28Å; L673-L677 VanDerWaalsContact O-CG 3.26Å; L673-L677 WeakPolarHBondContact O-CG 3.43Å; L673-L677 PolarHBondContact O-N 3.29Å; L673-L689 HydrophobicContact CD1-CD2 4.46Å; L673-L689 HydrophobicContact CD2-CD1 4.27Å; L673-L689 HydrophobicContact CD2-CD2 3.8Å; L673-L701 HydrophobicContact CD2-CD1 3.9Å; L673-L701 HydrophobicContact CD2-CD2 4.32Å
674	G	93.7	Very high	91.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.4	-43.8	173.5	0	0	0	0	0	112.7	C670 V671 V672 L677 H678	C670-G674 PolarHBondContact O-N 3.43Å; V671-G674 PolarHBondContact O-N 3.35Å; V671-G674 VanDerWaalsContact O-N 3.15Å; V672-G674 PolarHBondContact O-N 3.07Å; G674-L677 PolarHBondContact O-N 3.14Å; G674-H678 PolarHBondContact O-N 2.87Å; G674-H678 PolarHBondContact O-ND1 3.5Å
675	F	93.1	Very high	91.5	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.035	11%	0.105	C	C	.	.	H	α-helix	trans	-57.6	-50.3	173.3	167.3	-98.6	0	0	0	112.3	I396 V634 A637 Y638 Q641 L649 V671 V672 L673 L677 H678 V679	I396-F675 HydrophobicContact CD1-CE2 4.18Å; I396-F675 HydrophobicContact CD1-CZ 4.21Å; I396-F675 HydrophobicContact CG1-CZ 4.48Å; V634-F675 VanDerWaalsContact CG1-CA 3.48Å; V634-F675 HydrophobicContact CG1-CB 3.83Å; A637-F675 HydrophobicContact CB-CB 3.68Å; A637-F675 HydrophobicContact CB-CD2 4.22Å; A637-F675 HydrophobicContact CB-CG 3.94Å; Y638-F675 HydrophobicContact CD1-CD2 4.05Å; Y638-F675 AromaticContact CD1-CE2 3.58Å; Y638-F675 HydrophobicContact CD1-CE2 3.58Å; Y638-F675 AromaticContact CD2-CD2 3.75Å; Y638-F675 HydrophobicContact CD2-CD2 3.75Å; Y638-F675 HydrophobicContact CD2-CE2 4.15Å; Y638-F675 HydrophobicContact CE1-CD2 4.04Å; Y638-F675 AromaticContact CE1-CE2 3.65Å; Y638-F675 HydrophobicContact CE1-CE2 3.65Å; Y638-F675 AromaticContact CE2-CD2 3.77Å; Y638-F675 HydrophobicContact CE2-CD2 3.77Å; Y638-F675 HydrophobicContact CE2-CE2 4.24Å; Y638-F675 AromaticContact CG-CD2 3.9Å; Y638-F675 HydrophobicContact CG-CD2 3.9Å; Y638-F675 AromaticContact CG-CE2 3.83Å; Y638-F675 HydrophobicContact CG-CE2 3.83Å; Y638-F675 AromaticContact CZ-CD2 3.91Å; Y638-F675 AromaticContact CZ-CE2 3.99Å; Q641-F675 HydrophobicContact CB-CZ 4.3Å; Q641-F675 HydrophobicContact CG-CZ 4.36Å; L649-F675 HydrophobicContact CD2-CD1 4.15Å; L649-F675 HydrophobicContact CD2-CE1 3.64Å; L649-F675 HydrophobicContact CD2-CZ 4.07Å; L649-F675 HydrophobicContact CG-CD1 4.4Å; L649-F675 HydrophobicContact CG-CE1 4.28Å; V671-F675 PolarHBondContact O-N 2.99Å; V672-F675 WeakPolarHBondContact O-CB 3.22Å; V672-F675 PolarHBondContact O-N 2.92Å; L673-F675 VanDerWaalsContact C-N 3.31Å; L673-F675 PolarHBondContact O-N 3.15Å; F675-L677 VanDerWaalsContact C-N 3.3Å; F675-L677 PolarHBondContact O-N 3.22Å; F675-H678 WeakPolarHBondContact O-CB 3.36Å; F675-H678 PolarHBondContact O-N 3.48Å; F675-V679 HydrophobicContact CD1-CG2 4.12Å; F675-V679 HydrophobicContact CD2-CG1 4.16Å; F675-V679 HydrophobicContact CE1-CG2 3.66Å; F675-V679 HydrophobicContact CE2-CG1 3.74Å; F675-V679 HydrophobicContact CE2-CG2 4.13Å; F675-V679 HydrophobicContact CZ-CB 4.48Å; F675-V679 HydrophobicContact CZ-CG1 4.08Å; F675-V679 HydrophobicContact CZ-CG2 3.67Å; F675-V679 WeakPolarHBondContact O-CG2 3.5Å; F675-V679 PolarHBondContact O-N 3.05Å
676	L	94.1	Very high	91.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-35.8	-179.4	-69.4	171.2	0	0	0	112.3	V652 E653 V672 L673 H678 V679 S680 C683	V652-L676 HydrophobicContact CB-CD1 4.18Å; V652-L676 HydrophobicContact CG1-CD1 3.82Å; E653-L676 HydrophobicContact CB-CD1 3.74Å; E653-L676 HydrophobicContact CB-CD2 3.91Å; E653-L676 HydrophobicContact CB-CG 4.49Å; E653-L676 HydrophobicContact CG-CD1 4.31Å; E653-L676 HydrophobicContact CG-CD2 4.01Å; E653-L676 WeakPolarHBondContact OE2-CD2 3.27Å; V672-L676 HydrophobicContact CG1-CD1 4.12Å; V672-L676 HydrophobicContact CG1-CG 4.35Å; V672-L676 VanDerWaalsContact O-CG 3.31Å; V672-L676 WeakPolarHBondContact O-CG 3.44Å; V672-L676 PolarHBondContact O-N 3.35Å; L673-L676 PolarHBondContact O-N 3.24Å; L676-H678 PolarHBondContact O-N 3.34Å; L676-V679 PolarHBondContact O-N 2.87Å; L676-S680 WeakPolarHBondContact O-CA 3.22Å; L676-S680 WeakPolarHBondContact O-CB 3.13Å; L676-S680 PolarHBondContact O-N 3.48Å; L676-C683 HydrophobicContact CB-CB 4.41Å
677	L	91.7	Very high	91.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-29.4	174.6	-68.1	176.2	0	0	0	112.2	L673 G674 F675 S684 T687 Q704	L673-L677 HydrophobicContact CD1-CG 4.36Å; L673-L677 HydrophobicContact CG-CD1 4.28Å; L673-L677 VanDerWaalsContact O-CG 3.26Å; L673-L677 WeakPolarHBondContact O-CG 3.43Å; L673-L677 PolarHBondContact O-N 3.29Å; G674-L677 PolarHBondContact O-N 3.14Å; F675-L677 VanDerWaalsContact C-N 3.3Å; F675-L677 PolarHBondContact O-N 3.22Å; L677-S684 WeakPolarHBondContact O-CB 3.5Å; L677-T687 HydrophobicContact CD2-CG2 3.85Å; L677-T687 WeakPolarHBondContact CD2-OG1 3.36Å; L677-Q704 HydrophobicContact CD1-CB 4.4Å; L677-Q704 WeakPolarHBondContact CD1-O 3.48Å
678	H	87.3	Confident	92.1	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.104	C	C	.	.	H	α-helix	trans	-78.6	-45.7	174.4	-59.9	156.5	0	0	0	113.1	M182 L631 V634 G674 F675 L676 Q704 Y707	M182-H678 WeakPolarHBondContact CE-ND1 3.21Å; L631-H678 WeakPolarHBondContact CD2-CE1 3.42Å; V634-H678 WeakPolarHBondContact CG1-ND1 3.41Å; G674-H678 PolarHBondContact O-N 2.87Å; G674-H678 PolarHBondContact O-ND1 3.5Å; F675-H678 WeakPolarHBondContact O-CB 3.36Å; F675-H678 PolarHBondContact O-N 3.48Å; L676-H678 PolarHBondContact O-N 3.34Å; H678-Q704 PolarHBondContact CE1-OE1 2.85Å; H678-Q704 PolarHBondContact NE2-OE1 3.32Å; H678-Y707 AromaticContact CD2-CD2 3.3Å; H678-Y707 WeakPolarHBondContact CD2-CD2 3.36Å; H678-Y707 AromaticContact CD2-CE2 3.45Å; H678-Y707 VanDerWaalsContact CD2-CE2 3.45Å; H678-Y707 WeakPolarHBondContact CD2-CE2 3.39Å; H678-Y707 AromaticContact CD2-CG 3.71Å; H678-Y707 AromaticContact CD2-CZ 3.94Å; H678-Y707 AromaticContact NE2-CD2 3.13Å; H678-Y707 WeakPolarHBondContact NE2-CD2 3.22Å; H678-Y707 AromaticContact NE2-CE2 2.85Å; H678-Y707 WeakPolarHBondContact NE2-CE2 3.42Å; H678-Y707 AromaticContact NE2-CZ 3.52Å
679	V	88.3	Confident	92.2	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-95.6	-24.8	-168.7	-55.2	0	0	0	0	114.3	K395 I396 Y638 F675 L676 P681	K395-V679 HydrophobicContact CB-CB 4.11Å; K395-V679 HydrophobicContact CB-CG2 4.29Å; K395-V679 WeakPolarHBondContact CB-O 3.34Å; K395-V679 HydrophobicContact CD-CG2 4.21Å; I396-V679 HydrophobicContact CG1-CG1 4.26Å; Y638-V679 HydrophobicContact CE1-CG1 3.64Å; Y638-V679 WeakPolarHBondContact OH-CG1 3.5Å; F675-V679 HydrophobicContact CD1-CG2 4.12Å; F675-V679 HydrophobicContact CD2-CG1 4.16Å; F675-V679 HydrophobicContact CE1-CG2 3.66Å; F675-V679 HydrophobicContact CE2-CG1 3.74Å; F675-V679 HydrophobicContact CE2-CG2 4.13Å; F675-V679 HydrophobicContact CZ-CB 4.48Å; F675-V679 HydrophobicContact CZ-CG1 4.08Å; F675-V679 HydrophobicContact CZ-CG2 3.67Å; F675-V679 WeakPolarHBondContact O-CG2 3.5Å; F675-V679 PolarHBondContact O-N 3.05Å; L676-V679 PolarHBondContact O-N 2.87Å; V679-P681 WeakPolarHBondContact O-CD 3.47Å
680	S	89.6	Confident	92.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.			trans	-104.4	114.3	-172.1	-157.4	0	0	0	0	111.7	R188 K395 L676 E682 C683 S684	R188-S680 PolarHBondContact NH2-O 2.94Å; K395-S680 WeakPolarHBondContact CE-OG 3.42Å; K395-S680 PolarHBondContact NZ-OG 3.47Å; L676-S680 WeakPolarHBondContact O-CA 3.22Å; L676-S680 WeakPolarHBondContact O-CB 3.13Å; L676-S680 PolarHBondContact O-N 3.48Å; S680-E682 VanDerWaalsContact C-N 3.27Å; S680-E682 PolarHBondContact O-N 2.88Å; S680-E682 PolarHBondContact OG-OE2 2.62Å; S680-C683 PolarHBondContact O-N 2.88Å; S680-C683 PolarHBondContact OG-SG 3.35Å; S680-S684 PolarHBondContact O-N 3.41Å
681	P	85.9	Confident	92.4	Very high	37 Å²	37	21.4 Å²	21.4	24%	0.24	12%	0.117	C	C	.	.	H	α-helix	trans	-52	-46.1	176.5	-30.5	38.4	0	0	0	114.5	R188 V679 E685	R188-P681 VanDerWaalsContact CZ-CA 3.42Å; R188-P681 VanDerWaalsContact NH1-CA 3.29Å; R188-P681 PolarHBondContact NH1-O 2.94Å; R188-P681 VanDerWaalsContact NH1-O 3.17Å; R188-P681 VanDerWaalsContact NH2-CA 3.31Å; V679-P681 WeakPolarHBondContact O-CD 3.47Å; P681-E685 VanDerWaalsContact O-CB 3.29Å; P681-E685 WeakPolarHBondContact O-CB 3.39Å; P681-E685 VanDerWaalsContact O-CG 3.3Å; P681-E685 WeakPolarHBondContact O-CG 3.41Å; P681-E685 PolarHBondContact O-N 3.25Å
682	E	88.5	Confident	92.3	Very high	96 Å²	96	22.1 Å²	22.1	45%	0.449	12%	0.122	S	C	.	.	H	α-helix	trans	-65.5	-48.1	-175.3	-49.3	74.7	-160.8	0	0	110.6	R657 S680 S684 E685 Q686	R657-E682 IonicContact NH2-OE2 3.54Å; S680-E682 VanDerWaalsContact C-N 3.27Å; S680-E682 PolarHBondContact O-N 2.88Å; S680-E682 PolarHBondContact OG-OE2 2.62Å; E682-S684 PolarHBondContact O-N 3.07Å; E682-E685 PolarHBondContact O-N 3.43Å; E682-Q686 PolarHBondContact O-N 3.12Å; E682-Q686 VanDerWaalsContact O-N 3.09Å
683	C	91.8	Very high	92.3	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.027	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-38	-175.9	-61.4	0	0	0	0	112.4	L656 L676 S680 T687	L656-C683 HydrophobicContact CD2-CB 3.62Å; L676-C683 HydrophobicContact CB-CB 4.41Å; S680-C683 PolarHBondContact O-N 2.88Å; S680-C683 PolarHBondContact OG-SG 3.35Å; C683-T687 WeakPolarHBondContact O-CA 3.42Å; C683-T687 WeakPolarHBondContact O-CB 3.35Å; C683-T687 PolarHBondContact O-OG1 3.3Å
684	S	89.8	Confident	92.1	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-85.1	-25.1	179.8	117.3	0	0	0	0	112.8	R188 L677 S680 E682 Y707 C708 T709	R188-S684 VanDerWaalsContact CZ-OG 3.31Å; R188-S684 PolarHBondContact NH2-OG 2.97Å; L677-S684 WeakPolarHBondContact O-CB 3.5Å; S680-S684 PolarHBondContact O-N 3.41Å; E682-S684 PolarHBondContact O-N 3.07Å; S684-Y707 VanDerWaalsContact CB-O 3.26Å; S684-Y707 WeakPolarHBondContact CB-O 3.45Å; S684-Y707 PolarHBondContact OG-O 3.1Å; S684-C708 CarbonylContact O-C 3.56Å; S684-C708 VanDerWaalsContact O-CA 3.26Å; S684-C708 WeakPolarHBondContact O-CA 3.47Å; S684-T709 PolarHBondContact O-N 3.09Å
685	E	90.3	Very high	92	Very high	63 Å²	63	31 Å²	31	29%	0.294	16%	0.163	S	C	.	.	H	α-helix	trans	-71.1	-43.7	174.4	-85.1	-178.9	-154.3	0	0	112.5	R188 R191 P681 E682 H710	R188-E685 IonicContact NH1-OE1 2.88Å; R191-E685 IonicContact CZ-OE1 3.09Å; R191-E685 VanDerWaalsContact NH1-CG 3.3Å; R191-E685 IonicContact NH1-OE1 3.7Å; R191-E685 PolarHBondContact NH1-OE1 3.39Å; R191-E685 IonicContact NH2-OE1 2.78Å; R191-E685 PolarHBondContact NH2-OE1 3.22Å; P681-E685 VanDerWaalsContact O-CB 3.29Å; P681-E685 WeakPolarHBondContact O-CB 3.39Å; P681-E685 VanDerWaalsContact O-CG 3.3Å; P681-E685 WeakPolarHBondContact O-CG 3.41Å; P681-E685 PolarHBondContact O-N 3.25Å; E682-E685 PolarHBondContact O-N 3.43Å; E685-H710 WeakPolarHBondContact O-CA 3.4Å; E685-H710 WeakPolarHBondContact O-CB 3.47Å; E685-H710 PolarHBondContact O-N 3.1Å; E685-H710 PolarHBondContact O-ND1 3.2Å
686	Q	92.6	Very high	91.9	Very high	111 Å²	111	34.7 Å²	34.7	52%	0.519	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	84.3	-179.1	-62.7	-62.1	-26.2	0	0	109.1	E682 H710	E682-Q686 PolarHBondContact O-N 3.12Å; E682-Q686 VanDerWaalsContact O-N 3.09Å; Q686-H710 PolarHBondContact NE2-ND1 3.15Å; Q686-H710 VanDerWaalsContact NE2-ND1 3.19Å
687	T	95.6	Very high	91.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	112.3	179.6	-43.8	0	0	0	0	110.1	L656 L677 C683 L689 C708 H710 L711 R712	L656-T687 HydrophobicContact CD1-CG2 4.33Å; L677-T687 HydrophobicContact CD2-CG2 3.85Å; L677-T687 WeakPolarHBondContact CD2-OG1 3.36Å; C683-T687 WeakPolarHBondContact O-CA 3.42Å; C683-T687 WeakPolarHBondContact O-CB 3.35Å; C683-T687 PolarHBondContact O-OG1 3.3Å; T687-L689 HydrophobicContact CG2-CD1 4.07Å; T687-L689 HydrophobicContact CG2-CD2 4.4Å; T687-L689 HydrophobicContact CG2-CG 3.97Å; T687-C708 PolarHBondContact OG1-SG 2.99Å; T687-H710 PolarHBondContact N-O 2.86Å; T687-L711 HydrophobicContact CG2-CD1 4.15Å; T687-R712 PolarHBondContact O-N 3.46Å
688	N	95	Very high	91.9	Very high	43 Å²	43	35.8 Å²	35.8	23%	0.23	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	108.6	175.8	-173.8	11.5	0	0	0	111.5	T690	N688-T690 VanDerWaalsContact OD1-CB 3.27Å; N688-T690 WeakPolarHBondContact OD1-CB 3.49Å; N688-T690 PolarHBondContact OD1-N 3.17Å; N688-T690 VanDerWaalsContact OD1-N 3.17Å; N688-T690 PolarHBondContact OD1-OG1 3.12Å
689	L	96.4	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.			trans	-120.5	36.3	176.4	-55.8	172.5	0	0	0	110.6	L656 L661 L673 T687 G691 C692 L693 L705 L711 R712 L713 N716	L656-L689 HydrophobicContact CD1-CD2 4.09Å; L661-L689 HydrophobicContact CD2-CD2 3.82Å; L673-L689 HydrophobicContact CD1-CD2 4.46Å; L673-L689 HydrophobicContact CD2-CD1 4.27Å; L673-L689 HydrophobicContact CD2-CD2 3.8Å; T687-L689 HydrophobicContact CG2-CD1 4.07Å; T687-L689 HydrophobicContact CG2-CD2 4.4Å; T687-L689 HydrophobicContact CG2-CG 3.97Å; L689-G691 PolarHBondContact O-N 3.36Å; L689-C692 HydrophobicContact CB-CB 4.14Å; L689-C692 PolarHBondContact O-N 3.24Å; L689-L693 HydrophobicContact CB-CD1 4.01Å; L689-L693 HydrophobicContact CB-CG 4.09Å; L689-L693 HydrophobicContact CD1-CD1 3.88Å; L689-L693 HydrophobicContact CD1-CD2 4.49Å; L689-L693 HydrophobicContact CD1-CG 4.47Å; L689-L705 HydrophobicContact CD1-CD2 3.79Å; L689-L711 HydrophobicContact CD1-CD1 4.25Å; L689-R712 CarbonylContact C-O 3.53Å; L689-R712 WeakPolarHBondContact CA-O 3.5Å; L689-R712 PolarHBondContact N-O 3.18Å; L689-L713 HydrophobicContact CB-CD2 3.91Å; L689-L713 HydrophobicContact CD1-CD2 4.22Å; L689-N716 PolarHBondContact O-ND2 3.22Å; L689-N716 PolarHBondContact O-OD1 3.41Å
690	T	95.3	Very high	92.3	Very high	40 Å²	40	40.9 Å²	40.9	25%	0.245	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	124.9	177	-62.7	0	0	0	0	110.3	N688 C692 E714 N715	N688-T690 VanDerWaalsContact OD1-CB 3.27Å; N688-T690 WeakPolarHBondContact OD1-CB 3.49Å; N688-T690 PolarHBondContact OD1-N 3.17Å; N688-T690 VanDerWaalsContact OD1-N 3.17Å; N688-T690 PolarHBondContact OD1-OG1 3.12Å; T690-C692 PolarHBondContact O-N 2.72Å; T690-C692 VanDerWaalsContact O-N 3.1Å; T690-C692 PolarHBondContact O-SG 3.22Å; T690-E714 CarbonylContact C-O 3.48Å; T690-E714 WeakPolarHBondContact CA-O 3.3Å; T690-E714 HydrophobicContact CG2-CB 3.85Å; T690-E714 WeakPolarHBondContact CG2-O 3.46Å; T690-N715 HydrophobicContact CG2-CB 4.17Å
691	G	95.3	Very high	92.5	Very high	31 Å²	31	40.9 Å²	40.9	32%	0.32	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	16.5	-178.3	0	0	0	0	0	115.6	L689 E714 N715 N716	L689-G691 PolarHBondContact O-N 3.36Å; G691-E714 PolarHBondContact N-O 3.08Å; G691-N715 VanDerWaalsContact CA-O 3.28Å; G691-N715 WeakPolarHBondContact CA-O 3.31Å; G691-N716 VanDerWaalsContact C-OD1 3.25Å; G691-N716 VanDerWaalsContact CA-OD1 3.28Å; G691-N716 WeakPolarHBondContact CA-OD1 3.44Å; G691-N716 PolarHBondContact N-OD1 3.2Å
692	C	93.9	Very high	92.7	Very high	17 Å²	17	40.4 Å²	40.4	12%	0.115	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-30.2	-176.5	-63.1	0	0	0	0	113.3	A662 L665 L689 T690 N716	A662-C692 PolarHBondContact N-SG 2.88Å; L665-C692 HydrophobicContact CD1-CB 3.75Å; L665-C692 WeakPolarHBondContact CD1-O 3.47Å; L689-C692 HydrophobicContact CB-CB 4.14Å; L689-C692 PolarHBondContact O-N 3.24Å; T690-C692 PolarHBondContact O-N 2.72Å; T690-C692 VanDerWaalsContact O-N 3.1Å; T690-C692 PolarHBondContact O-SG 3.22Å; C692-N716 PolarHBondContact N-OD1 3.34Å
693	L	94.3	Very high	92.7	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.047	21%	0.207	C	C	.	.			trans	-112.3	153.6	-162.5	-56.1	-177.4	0	0	0	112.9	L665 L689 V698 L701 L713 N716 F718	L665-L693 HydrophobicContact CD1-CD2 3.49Å; L665-L693 VanDerWaalsContact CD1-CD2 3.49Å; L689-L693 HydrophobicContact CB-CD1 4.01Å; L689-L693 HydrophobicContact CB-CG 4.09Å; L689-L693 HydrophobicContact CD1-CD1 3.88Å; L689-L693 HydrophobicContact CD1-CD2 4.49Å; L689-L693 HydrophobicContact CD1-CG 4.47Å; L693-V698 HydrophobicContact CB-CG2 3.85Å; L693-V698 HydrophobicContact CD1-CG2 3.95Å; L693-V698 HydrophobicContact CG-CG2 4.5Å; L693-L701 HydrophobicContact CD2-CD1 3.94Å; L693-L713 HydrophobicContact CD1-CD2 3.74Å; L693-N716 PolarHBondContact N-OD1 2.84Å; L693-N716 PolarHBondContact O-OD1 3.09Å; L693-F718 HydrophobicContact CB-CE1 3.95Å; L693-F718 HydrophobicContact CB-CZ 3.71Å; L693-F718 HydrophobicContact CD1-CZ 4.18Å
694	N	91.6	Very high	92.6	Very high	85 Å²	85	38.1 Å²	38.1	46%	0.455	21%	0.206	S	C	.	.			trans	-135.1	174.7	170.7	60.2	28.5	0	0	0	109.2	P696 T697 V698	N694-P696 VanDerWaalsContact OD1-CD 3.3Å; N694-P696 WeakPolarHBondContact OD1-CD 3.41Å; N694-T697 PolarHBondContact N-OG1 2.71Å; N694-T697 PolarHBondContact O-N 3.21Å; N694-T697 PolarHBondContact O-OG1 3.27Å; N694-T697 WeakPolarHBondContact OD1-CB 3.34Å; N694-T697 WeakPolarHBondContact OD1-CG2 3.38Å; N694-T697 PolarHBondContact OD1-N 2.96Å; N694-T697 PolarHBondContact OD1-OG1 2.99Å; N694-V698 WeakPolarHBondContact O-CG2 3.28Å; N694-V698 PolarHBondContact O-N 3.31Å
695	Y	92.3	Very high	92.7	Very high	92 Å²	92	37.9 Å²	37.9	36%	0.361	21%	0.205	S	C	.	.	H	α-helix	trans	-53.7	-49	-176.2	177	-87.7	0	0	0	114.1	T697 V698 K699 D721 V722 L725	Y695-T697 PolarHBondContact O-N 3.38Å; Y695-V698 PolarHBondContact O-N 3.05Å; Y695-K699 HydrophobicContact CE1-CD 4.32Å; Y695-K699 WeakPolarHBondContact O-CB 3.49Å; Y695-K699 PolarHBondContact O-N 3.39Å; Y695-D721 HydrophobicContact CD2-CB 4.24Å; Y695-D721 VanDerWaalsContact CD2-OD2 3.24Å; Y695-D721 WeakPolarHBondContact CD2-OD2 3.32Å; Y695-D721 HydrophobicContact CE2-CB 4Å; Y695-V722 HydrophobicContact CD2-CG2 3.8Å; Y695-V722 HydrophobicContact CG-CG2 4.48Å; Y695-L725 HydrophobicContact CD2-CD1 4.07Å; Y695-L725 HydrophobicContact CE2-CD1 3.58Å; Y695-L725 HydrophobicContact CE2-CG 4.28Å
696	P	91.1	Very high	92.6	Very high	86 Å²	86	36.6 Å²	36.6	56%	0.558	20%	0.199	S	C	*	.	H	α-helix	trans	-59.7	-43.2	176.7	-25.8	33.7	0	0	0	114.2	N694 K699 S700	N694-P696 VanDerWaalsContact OD1-CD 3.3Å; N694-P696 WeakPolarHBondContact OD1-CD 3.41Å; P696-K699 PolarHBondContact O-N 3.15Å; P696-S700 WeakPolarHBondContact O-CB 3.29Å; P696-S700 PolarHBondContact O-N 3.21Å
697	T	92.1	Very high	92.3	Very high	24 Å²	24	32.3 Å²	32.3	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-70.6	-38.7	-179.4	49.9	0	0	0	0	111.8	N694 Y695 S700 L701	N694-T697 PolarHBondContact N-OG1 2.71Å; N694-T697 PolarHBondContact O-N 3.21Å; N694-T697 PolarHBondContact O-OG1 3.27Å; N694-T697 WeakPolarHBondContact OD1-CB 3.34Å; N694-T697 WeakPolarHBondContact OD1-CG2 3.38Å; N694-T697 PolarHBondContact OD1-N 2.96Å; N694-T697 PolarHBondContact OD1-OG1 2.99Å; Y695-T697 PolarHBondContact O-N 3.38Å; T697-S700 WeakPolarHBondContact O-CB 3.43Å; T697-S700 PolarHBondContact O-N 2.87Å; T697-L701 WeakPolarHBondContact O-CB 3.38Å; T697-L701 PolarHBondContact O-N 2.95Å
698	V	93.6	Very high	92	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-50.1	171.2	175.8	0	0	0	0	110.4	L693 N694 Y695 S700 L701 L702 F718 V722 L725 L726	L693-V698 HydrophobicContact CB-CG2 3.85Å; L693-V698 HydrophobicContact CD1-CG2 3.95Å; L693-V698 HydrophobicContact CG-CG2 4.5Å; N694-V698 WeakPolarHBondContact O-CG2 3.28Å; N694-V698 PolarHBondContact O-N 3.31Å; Y695-V698 PolarHBondContact O-N 3.05Å; V698-S700 PolarHBondContact O-N 3.5Å; V698-L701 CarbonylContact O-C 3.3Å; V698-L701 PolarHBondContact O-N 3.08Å; V698-L702 HydrophobicContact CG1-CD1 4.23Å; V698-L702 WeakPolarHBondContact O-CA 3.39Å; V698-L702 WeakPolarHBondContact O-CB 3.36Å; V698-L702 PolarHBondContact O-N 3.28Å; V698-F718 HydrophobicContact CG2-CE1 3.53Å; V698-F718 HydrophobicContact CG2-CE2 4.26Å; V698-F718 HydrophobicContact CG2-CZ 3.3Å; V698-V722 HydrophobicContact CB-CG1 4.46Å; V698-V722 HydrophobicContact CG1-CG1 4.06Å; V698-V722 HydrophobicContact CG2-CG1 4.2Å; V698-L725 HydrophobicContact CG1-CD1 4.48Å; V698-L726 HydrophobicContact CG1-CD2 4.2Å
699	K	91.9	Very high	91.9	Very high	105 Å²	105	31.1 Å²	31.1	46%	0.457	17%	0.173	S	C	.	.	H	α-helix	trans	-57.5	-37.9	177.7	-175.3	177.3	178.2	179.7	0	111.4	Y695 P696 L725	Y695-K699 HydrophobicContact CE1-CD 4.32Å; Y695-K699 WeakPolarHBondContact O-CB 3.49Å; Y695-K699 PolarHBondContact O-N 3.39Å; P696-K699 PolarHBondContact O-N 3.15Å; K699-L725 HydrophobicContact CB-CD1 3.98Å; K699-L725 HydrophobicContact CG-CD1 4.47Å
700	S	91.2	Very high	91.8	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-68.5	-44.5	177.8	-159.3	0	0	0	0	112.7	S627 V629 P696 T697 V698	S627-S700 WeakPolarHBondContact O-CA 3.5Å; S627-S700 WeakPolarHBondContact O-CB 3.36Å; S627-S700 PolarHBondContact O-OG 3.44Å; V629-S700 WeakPolarHBondContact CB-O 3.24Å; V629-S700 WeakPolarHBondContact CG2-OG 3.45Å; V629-S700 PolarHBondContact N-O 2.95Å; V629-S700 PolarHBondContact N-OG 3.13Å; P696-S700 WeakPolarHBondContact O-CB 3.29Å; P696-S700 PolarHBondContact O-N 3.21Å; T697-S700 WeakPolarHBondContact O-CB 3.43Å; T697-S700 PolarHBondContact O-N 2.87Å; V698-S700 PolarHBondContact O-N 3.5Å
701	L	93.3	Very high	91.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-87	-7.1	-176.5	-77.4	168.3	0	0	0	114	V629 C670 L673 L693 T697 V698 P703 Q704 L705	V629-L701 HydrophobicContact CB-CD2 4.36Å; V629-L701 HydrophobicContact CG2-CD2 3.93Å; V629-L701 HydrophobicContact CG2-CG 4.3Å; C670-L701 HydrophobicContact CB-CD1 4.31Å; C670-L701 HydrophobicContact CB-CD2 3.89Å; C670-L701 HydrophobicContact CB-CG 4.13Å; C670-L701 WeakPolarHBondContact O-CD2 3.41Å; L673-L701 HydrophobicContact CD2-CD1 3.9Å; L673-L701 HydrophobicContact CD2-CD2 4.32Å; L693-L701 HydrophobicContact CD2-CD1 3.94Å; T697-L701 WeakPolarHBondContact O-CB 3.38Å; T697-L701 PolarHBondContact O-N 2.95Å; V698-L701 CarbonylContact O-C 3.3Å; V698-L701 PolarHBondContact O-N 3.08Å; L701-P703 VanDerWaalsContact C-CD 3.44Å; L701-P703 VanDerWaalsContact C-N 3.33Å; L701-P703 VanDerWaalsContact O-N 3.15Å; L701-Q704 HydrophobicContact CD2-CB 4.33Å; L701-Q704 HydrophobicContact CD2-CG 4.36Å; L701-Q704 WeakPolarHBondContact O-CA 3.46Å; L701-Q704 WeakPolarHBondContact O-CB 3.47Å; L701-Q704 PolarHBondContact O-N 3.46Å; L701-L705 HydrophobicContact CB-CG 4.43Å; L701-L705 PolarHBondContact O-N 2.92Å; L701-L705 VanDerWaalsContact O-N 3.1Å
702	L	91.3	Very high	92	Very high	27 Å²	27	34.6 Å²	34.6	14%	0.141	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-48.4	-47.3	-171.2	-163.3	71.4	0	0	0	113.1	V698 Q704 L705 L725 L726 L729	V698-L702 HydrophobicContact CG1-CD1 4.23Å; V698-L702 WeakPolarHBondContact O-CA 3.39Å; V698-L702 WeakPolarHBondContact O-CB 3.36Å; V698-L702 PolarHBondContact O-N 3.28Å; L702-Q704 VanDerWaalsContact C-N 3.26Å; L702-Q704 PolarHBondContact O-N 3.45Å; L702-L705 PolarHBondContact O-N 3.1Å; L702-L725 HydrophobicContact CD1-CB 4.13Å; L702-L725 HydrophobicContact CD2-CB 4.19Å; L702-L725 HydrophobicContact CD2-CD2 4.4Å; L702-L726 HydrophobicContact CD1-CD2 4.11Å; L702-L729 HydrophobicContact CD1-CB 3.99Å; L702-L729 HydrophobicContact CD1-CD1 3.7Å; L702-L729 HydrophobicContact CD1-CG 4.5Å; L702-L729 HydrophobicContact CG-CB 4.36Å; L702-L729 HydrophobicContact CG-CD1 4.06Å; L702-L729 WeakPolarHBondContact O-CD1 3.25Å
703	P	87.2	Confident	92.1	Very high	51 Å²	51	33.8 Å²	33.8	33%	0.331	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-64.9	-31.4	178.5	-19.3	33.7	0	0	0	113.1	V628 L701	V628-P703 HydrophobicContact CG1-CG 4.04Å; L701-P703 VanDerWaalsContact C-CD 3.44Å; L701-P703 VanDerWaalsContact C-N 3.33Å; L701-P703 VanDerWaalsContact O-N 3.15Å
704	Q	90.4	Very high	92.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-76.7	-24.4	-178.3	-49.4	-53.8	-52	0	0	112.3	V629 L677 H678 L701 L702 L706 Y707	V629-Q704 HydrophobicContact CB-CG 4.06Å; V629-Q704 HydrophobicContact CG1-CG 3.89Å; V629-Q704 PolarHBondContact O-NE2 2.85Å; L677-Q704 HydrophobicContact CD1-CB 4.4Å; L677-Q704 WeakPolarHBondContact CD1-O 3.48Å; H678-Q704 PolarHBondContact CE1-OE1 2.85Å; H678-Q704 PolarHBondContact NE2-OE1 3.32Å; L701-Q704 HydrophobicContact CD2-CB 4.33Å; L701-Q704 HydrophobicContact CD2-CG 4.36Å; L701-Q704 WeakPolarHBondContact O-CA 3.46Å; L701-Q704 WeakPolarHBondContact O-CB 3.47Å; L701-Q704 PolarHBondContact O-N 3.46Å; L702-Q704 VanDerWaalsContact C-N 3.26Å; L702-Q704 PolarHBondContact O-N 3.45Å; Q704-L706 PolarHBondContact O-N 2.99Å; Q704-Y707 WeakPolarHBondContact O-CD2 3.29Å; Q704-Y707 PolarHBondContact O-N 2.99Å
705	L	92.1	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-72.4	-14.3	177.9	-65.2	178.9	0	0	0	113	L689 L701 L702 Y707 C708 L711 L726 L729	L689-L705 HydrophobicContact CD1-CD2 3.79Å; L701-L705 HydrophobicContact CB-CG 4.43Å; L701-L705 PolarHBondContact O-N 2.92Å; L701-L705 VanDerWaalsContact O-N 3.1Å; L702-L705 PolarHBondContact O-N 3.1Å; L705-Y707 PolarHBondContact O-N 3.03Å; L705-C708 WeakPolarHBondContact O-CB 3.38Å; L705-C708 PolarHBondContact O-N 3.03Å; L705-L711 HydrophobicContact CB-CD2 4.38Å; L705-L711 HydrophobicContact CD1-CD2 4.47Å; L705-L711 HydrophobicContact CD2-CD1 4.15Å; L705-L711 HydrophobicContact CD2-CD2 4.37Å; L705-L726 HydrophobicContact CD1-CD2 4.46Å; L705-L729 HydrophobicContact CB-CD1 3.57Å
706	L	87.3	Confident	92.7	Very high	35 Å²	35	31.4 Å²	31.4	18%	0.183	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-63.5	-20.7	174.4	-74	168.4	0	0	0	113.2	Q704 C708 L729 A732 C735	Q704-L706 PolarHBondContact O-N 2.99Å; L706-C708 VanDerWaalsContact C-N 3.29Å; L706-L729 HydrophobicContact CD2-CD1 4.49Å; L706-L729 HydrophobicContact CD2-CD2 3.94Å; L706-L729 HydrophobicContact CD2-CG 3.69Å; L706-L729 HydrophobicContact CG-CD1 4.36Å; L706-L729 HydrophobicContact CG-CG 4.06Å; L706-A732 HydrophobicContact CD2-CB 3.85Å; L706-C735 HydrophobicContact CD2-CB 4.33Å
707	Y	86.4	Confident	92.9	Very high	21 Å²	21	32.8 Å²	32.8	8%	0.082	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-83.8	-5.5	179.4	-53.9	-57.7	0	0	0	113.6	F174 V186 H678 S684 Q704 L705	F174-Y707 HydrophobicContact CE2-CE1 4.48Å; F174-Y707 WeakPolarHBondContact CE2-OH 3.33Å; V186-Y707 HydrophobicContact CB-CD1 4.02Å; V186-Y707 HydrophobicContact CB-CE1 3.77Å; V186-Y707 HydrophobicContact CG1-CD1 3.63Å; V186-Y707 HydrophobicContact CG1-CE1 3.43Å; V186-Y707 VanDerWaalsContact CG1-CE1 3.43Å; V186-Y707 HydrophobicContact CG2-CD1 3.48Å; V186-Y707 VanDerWaalsContact CG2-CD1 3.48Å; V186-Y707 HydrophobicContact CG2-CE1 3Å; H678-Y707 AromaticContact CD2-CD2 3.3Å; H678-Y707 WeakPolarHBondContact CD2-CD2 3.36Å; H678-Y707 AromaticContact CD2-CE2 3.45Å; H678-Y707 VanDerWaalsContact CD2-CE2 3.45Å; H678-Y707 WeakPolarHBondContact CD2-CE2 3.39Å; H678-Y707 AromaticContact CD2-CG 3.71Å; H678-Y707 AromaticContact CD2-CZ 3.94Å; H678-Y707 AromaticContact NE2-CD2 3.13Å; H678-Y707 WeakPolarHBondContact NE2-CD2 3.22Å; H678-Y707 AromaticContact NE2-CE2 2.85Å; H678-Y707 WeakPolarHBondContact NE2-CE2 3.42Å; H678-Y707 AromaticContact NE2-CZ 3.52Å; S684-Y707 VanDerWaalsContact CB-O 3.26Å; S684-Y707 WeakPolarHBondContact CB-O 3.45Å; S684-Y707 PolarHBondContact OG-O 3.1Å; Q704-Y707 WeakPolarHBondContact O-CD2 3.29Å; Q704-Y707 PolarHBondContact O-N 2.99Å; L705-Y707 PolarHBondContact O-N 3.03Å
708	C	90.9	Very high	93.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.			trans	-79.4	143	177.9	-60.5	0	0	0	0	111.5	S684 T687 L705 L706 L711 H736 I737	S684-C708 CarbonylContact O-C 3.56Å; S684-C708 VanDerWaalsContact O-CA 3.26Å; S684-C708 WeakPolarHBondContact O-CA 3.47Å; T687-C708 PolarHBondContact OG1-SG 2.99Å; L705-C708 WeakPolarHBondContact O-CB 3.38Å; L705-C708 PolarHBondContact O-N 3.03Å; L706-C708 VanDerWaalsContact C-N 3.29Å; C708-L711 HydrophobicContact CB-CB 4.17Å; C708-L711 HydrophobicContact CB-CD1 4.33Å; C708-H736 CarbonylContact O-C 3.4Å; C708-I737 HydrophobicContact CB-CG1 4.43Å; C708-I737 WeakPolarHBondContact O-CA 3.1Å; C708-I737 VanDerWaalsContact O-CG1 3.23Å; C708-I737 WeakPolarHBondContact O-CG1 3.46Å; C708-I737 PolarHBondContact O-N 2.97Å
709	T	91.1	Very high	93.2	Very high	20 Å²	20	37.9 Å²	37.9	12%	0.123	18%	0.184	C	C	.	.	S	Bend	trans	-101.3	-44.6	169.8	-54.1	0	0	0	0	111.5	S684 R738 K739	S684-T709 PolarHBondContact O-N 3.09Å; T709-R738 HydrophobicContact CG2-CB 4.19Å; T709-R738 HydrophobicContact CG2-CG 4.01Å; T709-R738 PolarHBondContact O-N 3.43Å; T709-K739 PolarHBondContact O-N 3.37Å
710	H	95.6	Very high	93.4	Very high	33 Å²	33	34.8 Å²	34.8	15%	0.153	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.9	171.6	-54.3	79.5	0	0	0	108.6	E685 Q686 T687 K739	E685-H710 WeakPolarHBondContact O-CA 3.4Å; E685-H710 WeakPolarHBondContact O-CB 3.47Å; E685-H710 PolarHBondContact O-N 3.1Å; E685-H710 PolarHBondContact O-ND1 3.2Å; Q686-H710 PolarHBondContact NE2-ND1 3.15Å; Q686-H710 VanDerWaalsContact NE2-ND1 3.19Å; T687-H710 PolarHBondContact N-O 2.86Å; H710-K739 WeakPolarHBondContact CA-O 3.26Å; H710-K739 VanDerWaalsContact CD2-CD 3.46Å; H710-K739 WeakPolarHBondContact CD2-CD 3.45Å; H710-K739 WeakPolarHBondContact CD2-CG 3.26Å; H710-K739 WeakPolarHBondContact NE2-CE 2.85Å
711	L	96.6	Very high	93.7	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.5	-172.9	-175.9	57.6	0	0	0	110.1	T687 L689 L705 C708 L713 I737 K739 I740 S741	T687-L711 HydrophobicContact CG2-CD1 4.15Å; L689-L711 HydrophobicContact CD1-CD1 4.25Å; L705-L711 HydrophobicContact CB-CD2 4.38Å; L705-L711 HydrophobicContact CD1-CD2 4.47Å; L705-L711 HydrophobicContact CD2-CD1 4.15Å; L705-L711 HydrophobicContact CD2-CD2 4.37Å; C708-L711 HydrophobicContact CB-CB 4.17Å; C708-L711 HydrophobicContact CB-CD1 4.33Å; L711-L713 HydrophobicContact CD1-CD2 3.76Å; L711-L713 HydrophobicContact CD1-CG 4.26Å; L711-L713 HydrophobicContact CD2-CD1 3.88Å; L711-L713 HydrophobicContact CD2-CD2 4.27Å; L711-L713 HydrophobicContact CD2-CG 4.17Å; L711-L713 HydrophobicContact CG-CD1 4.09Å; L711-L713 HydrophobicContact CG-CD2 3.88Å; L711-L713 HydrophobicContact CG-CG 3.81Å; L711-I737 HydrophobicContact CD2-CD1 3.96Å; L711-K739 PolarHBondContact N-O 3.3Å; L711-I740 HydrophobicContact CB-CG1 4.35Å; L711-I740 HydrophobicContact CD2-CD1 4.42Å; L711-I740 CarbonylContact O-C 3.43Å; L711-I740 VanDerWaalsContact O-CA 3.32Å; L711-I740 WeakPolarHBondContact O-CA 3.14Å; L711-S741 PolarHBondContact O-N 3.47Å
712	R	97.3	Very high	93.9	Very high	108 Å²	108	38.2 Å²	38.2	41%	0.408	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.9	175.1	-61.4	180	66.2	-176.9	-5.6	109.7	T687 L689 E714	T687-R712 PolarHBondContact O-N 3.46Å; L689-R712 CarbonylContact C-O 3.53Å; L689-R712 WeakPolarHBondContact CA-O 3.5Å; L689-R712 PolarHBondContact N-O 3.18Å; R712-E714 IonicContact CZ-OE1 3.15Å; R712-E714 IonicContact CZ-OE2 3.91Å; R712-E714 IonicContact NE-OE1 3.92Å; R712-E714 PolarHBondContact NE-OE1 3.21Å; R712-E714 IonicContact NE-OE2 2.71Å; R712-E714 IonicContact NH2-OE1 3.55Å; R712-E714 IonicContact NH2-OE2 3.3Å; R712-E714 PolarHBondContact NH2-OE2 2.92Å
713	L	97.2	Very high	94.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.			trans	-123	39.2	-178.6	-55.7	178.4	0	0	0	110.4	L689 L693 L711 N716 F718 L726 I740 S741 L742 N745	L689-L713 HydrophobicContact CB-CD2 3.91Å; L689-L713 HydrophobicContact CD1-CD2 4.22Å; L693-L713 HydrophobicContact CD1-CD2 3.74Å; L711-L713 HydrophobicContact CD1-CD2 3.76Å; L711-L713 HydrophobicContact CD1-CG 4.26Å; L711-L713 HydrophobicContact CD2-CD1 3.88Å; L711-L713 HydrophobicContact CD2-CD2 4.27Å; L711-L713 HydrophobicContact CD2-CG 4.17Å; L711-L713 HydrophobicContact CG-CD1 4.09Å; L711-L713 HydrophobicContact CG-CD2 3.88Å; L711-L713 HydrophobicContact CG-CG 3.81Å; L713-N716 WeakPolarHBondContact CA-ND2 3.29Å; L713-N716 PolarHBondContact O-ND2 2.96Å; L713-F718 HydrophobicContact CB-CE2 3.83Å; L713-F718 HydrophobicContact CD1-CE2 4.07Å; L713-F718 HydrophobicContact CG-CE2 4.42Å; L713-L726 HydrophobicContact CD1-CD1 3.73Å; L713-L726 HydrophobicContact CD1-CD2 4.23Å; L713-I740 HydrophobicContact CD1-CD1 4.32Å; L713-S741 CarbonylContact C-O 3.28Å; L713-S741 WeakPolarHBondContact CA-O 3.13Å; L713-S741 PolarHBondContact N-O 3.02Å; L713-L742 HydrophobicContact CB-CD2 4.09Å; L713-L742 HydrophobicContact CD1-CD2 4Å; L713-N745 PolarHBondContact O-ND2 3.36Å
714	E	97	Very high	94.6	Very high	32 Å²	32	39.1 Å²	39.1	15%	0.15	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	154.6	-174.7	-56.4	169.1	-173.9	0	0	110.7	T690 G691 R712 N716 S741 A743	T690-E714 CarbonylContact C-O 3.48Å; T690-E714 WeakPolarHBondContact CA-O 3.3Å; T690-E714 HydrophobicContact CG2-CB 3.85Å; T690-E714 WeakPolarHBondContact CG2-O 3.46Å; G691-E714 PolarHBondContact N-O 3.08Å; R712-E714 IonicContact CZ-OE1 3.15Å; R712-E714 IonicContact CZ-OE2 3.91Å; R712-E714 IonicContact NE-OE1 3.92Å; R712-E714 PolarHBondContact NE-OE1 3.21Å; R712-E714 IonicContact NE-OE2 2.71Å; R712-E714 IonicContact NH2-OE1 3.55Å; R712-E714 IonicContact NH2-OE2 3.3Å; R712-E714 PolarHBondContact NH2-OE2 2.92Å; E714-N716 VanDerWaalsContact C-N 3.26Å; E714-N716 PolarHBondContact O-N 3.12Å; E714-N716 VanDerWaalsContact O-N 3.09Å; E714-N716 PolarHBondContact O-ND2 3.24Å; E714-N716 VanDerWaalsContact O-ND2 3.16Å; E714-S741 WeakPolarHBondContact CG-OG 3.41Å; E714-S741 WeakPolarHBondContact OE1-CB 3.3Å; E714-S741 PolarHBondContact OE1-OG 3.39Å; E714-A743 CarbonylContact C-O 3.57Å; E714-A743 WeakPolarHBondContact CA-O 3.18Å; E714-A743 HydrophobicContact CG-CB 4.05Å
715	N	96	Very high	94.8	Very high	95 Å²	95	40.6 Å²	40.6	51%	0.508	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	33.7	170.3	-161.2	36.4	0	0	0	115.6	T690 G691 A743 D744	T690-N715 HydrophobicContact CG2-CB 4.17Å; G691-N715 VanDerWaalsContact CA-O 3.28Å; G691-N715 WeakPolarHBondContact CA-O 3.31Å; N715-A743 PolarHBondContact N-O 3.05Å; N715-A743 VanDerWaalsContact N-O 3.12Å; N715-D744 WeakPolarHBondContact CA-O 3.47Å; N715-D744 HydrophobicContact CB-CB 4.44Å; N715-D744 PolarHBondContact N-O 3.24Å
716	N	96.3	Very high	95.1	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.053	20%	0.197	C	C	.	.	S	Bend	trans	-98.9	5.8	179.7	-76	-63.4	0	0	0	113.4	L689 G691 C692 L693 L713 E714 F718 N745	L689-N716 PolarHBondContact O-ND2 3.22Å; L689-N716 PolarHBondContact O-OD1 3.41Å; G691-N716 VanDerWaalsContact C-OD1 3.25Å; G691-N716 VanDerWaalsContact CA-OD1 3.28Å; G691-N716 WeakPolarHBondContact CA-OD1 3.44Å; G691-N716 PolarHBondContact N-OD1 3.2Å; C692-N716 PolarHBondContact N-OD1 3.34Å; L693-N716 PolarHBondContact N-OD1 2.84Å; L693-N716 PolarHBondContact O-OD1 3.09Å; L713-N716 WeakPolarHBondContact CA-ND2 3.29Å; L713-N716 PolarHBondContact O-ND2 2.96Å; E714-N716 VanDerWaalsContact C-N 3.26Å; E714-N716 PolarHBondContact O-N 3.12Å; E714-N716 VanDerWaalsContact O-N 3.09Å; E714-N716 PolarHBondContact O-ND2 3.24Å; E714-N716 VanDerWaalsContact O-ND2 3.16Å; N716-F718 HydrophobicContact CB-CD1 3.57Å; N716-F718 HydrophobicContact CB-CD2 4.07Å; N716-F718 HydrophobicContact CB-CE1 3.38Å; N716-F718 HydrophobicContact CB-CE2 3.91Å; N716-F718 HydrophobicContact CB-CG 3.92Å; N716-F718 HydrophobicContact CB-CZ 3.56Å; N716-F718 PolarHBondContact O-N 3.4Å; N716-F718 VanDerWaalsContact O-N 3.16Å; N716-N745 PolarHBondContact N-OD1 3.42Å; N716-N745 VanDerWaalsContact N-OD1 3.08Å
717	N	95.8	Very high	95.4	Very high	115 Å²	115	39.2 Å²	39.2	62%	0.615	19%	0.191	S	C	*	.			trans	53.8	31.1	-174.3	-60.6	-33.7	0	0	0	113.4	N745	N717-N745 PolarHBondContact N-OD1 2.76Å; N717-N745 VanDerWaalsContact N-OD1 3.13Å
718	F	96.8	Very high	95.7	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.018	21%	0.209	C	C	.	.			trans	-65.3	140.4	179.5	-68.4	-19	0	0	0	112	L693 V698 L713 N716 V722 M723 L726 L742 N745 V746	L693-F718 HydrophobicContact CB-CE1 3.95Å; L693-F718 HydrophobicContact CB-CZ 3.71Å; L693-F718 HydrophobicContact CD1-CZ 4.18Å; V698-F718 HydrophobicContact CG2-CE1 3.53Å; V698-F718 HydrophobicContact CG2-CE2 4.26Å; V698-F718 HydrophobicContact CG2-CZ 3.3Å; L713-F718 HydrophobicContact CB-CE2 3.83Å; L713-F718 HydrophobicContact CD1-CE2 4.07Å; L713-F718 HydrophobicContact CG-CE2 4.42Å; N716-F718 HydrophobicContact CB-CD1 3.57Å; N716-F718 HydrophobicContact CB-CD2 4.07Å; N716-F718 HydrophobicContact CB-CE1 3.38Å; N716-F718 HydrophobicContact CB-CE2 3.91Å; N716-F718 HydrophobicContact CB-CG 3.92Å; N716-F718 HydrophobicContact CB-CZ 3.56Å; N716-F718 PolarHBondContact O-N 3.4Å; N716-F718 VanDerWaalsContact O-N 3.16Å; F718-V722 HydrophobicContact CB-CB 4.14Å; F718-V722 HydrophobicContact CB-CG1 4.23Å; F718-V722 HydrophobicContact CB-CG2 4.38Å; F718-V722 HydrophobicContact CD1-CB 4.29Å; F718-V722 HydrophobicContact CD1-CG1 3.92Å; F718-V722 HydrophobicContact CD1-CG2 3.93Å; F718-V722 HydrophobicContact CD2-CG1 3.8Å; F718-V722 HydrophobicContact CE1-CG1 4.13Å; F718-V722 HydrophobicContact CE1-CG2 4.47Å; F718-V722 HydrophobicContact CE2-CG1 4Å; F718-V722 HydrophobicContact CG-CB 4.13Å; F718-V722 HydrophobicContact CG-CG1 3.74Å; F718-V722 HydrophobicContact CG-CG2 4.25Å; F718-V722 HydrophobicContact CZ-CG1 4.17Å; F718-M723 HydrophobicContact CB-CE 3.91Å; F718-M723 HydrophobicContact CD2-CE 4.03Å; F718-M723 HydrophobicContact CG-CE 4.37Å; F718-L726 HydrophobicContact CE2-CD1 4.45Å; F718-L742 HydrophobicContact CD2-CD2 4.46Å; F718-N745 HydrophobicContact CB-CB 4.17Å; F718-N745 WeakPolarHBondContact CB-OD1 3.41Å; F718-N745 PolarHBondContact N-OD1 2.62Å; F718-V746 CarbonylContact O-C 3.53Å; F718-V746 VanDerWaalsContact O-C 3.24Å; F718-V746 VanDerWaalsContact O-CA 3.31Å; F718-V746 WeakPolarHBondContact O-CA 3.46Å; F718-V746 PolarHBondContact O-N 3.25Å
719	K	95.5	Very high	95.8	Very high	128 Å²	128	41.8 Å²	41.8	56%	0.557	21%	0.211	S	C	*	.			trans	-114.8	-171.1	175.6	-62.8	-179.6	-178.6	178.9	0	109.7	D721 V722 M723 V746	K719-D721 VanDerWaalsContact C-N 3.3Å; K719-D721 WeakPolarHBondContact CB-OD1 3.46Å; K719-D721 PolarHBondContact O-N 2.96Å; K719-V722 PolarHBondContact O-N 3.34Å; K719-M723 PolarHBondContact O-N 2.81Å; K719-V746 HydrophobicContact CG-CB 4.29Å
720	D	97	Very high	96	Very high	39 Å²	39	40.9 Å²	40.9	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-29.2	-173.1	-55.8	-38	0	0	0	114	M723 E724 S748 K750 G751	D720-M723 WeakPolarHBondContact O-CB 3.28Å; D720-M723 PolarHBondContact O-N 2.97Å; D720-M723 VanDerWaalsContact O-N 3.14Å; D720-E724 PolarHBondContact O-N 3.42Å; D720-S748 WeakPolarHBondContact OD1-CB 3.43Å; D720-S748 PolarHBondContact OD1-N 3.26Å; D720-S748 PolarHBondContact OD1-OG 3.18Å; D720-S748 PolarHBondContact OD2-OG 3.26Å; D720-K750 HydrophobicContact CB-CB 4.12Å; D720-G751 VanDerWaalsContact CG-N 3.29Å; D720-G751 VanDerWaalsContact OD1-CA 3.28Å; D720-G751 WeakPolarHBondContact OD1-CA 3.45Å; D720-G751 PolarHBondContact OD1-N 2.7Å
721	D	96.2	Very high	95.7	Very high	78 Å²	78	41.8 Å²	41.8	42%	0.417	22%	0.215	S	C	.	.	H	α-helix	trans	-63.7	-41.4	176.7	58.5	-22.8	0	0	0	112.5	Y695 K719 M723 E724 L725	Y695-D721 HydrophobicContact CD2-CB 4.24Å; Y695-D721 VanDerWaalsContact CD2-OD2 3.24Å; Y695-D721 WeakPolarHBondContact CD2-OD2 3.32Å; Y695-D721 HydrophobicContact CE2-CB 4Å; K719-D721 VanDerWaalsContact C-N 3.3Å; K719-D721 WeakPolarHBondContact CB-OD1 3.46Å; K719-D721 PolarHBondContact O-N 2.96Å; D721-M723 VanDerWaalsContact C-N 3.27Å; D721-M723 PolarHBondContact O-N 3.01Å; D721-E724 PolarHBondContact O-N 3.03Å; D721-L725 PolarHBondContact O-N 2.93Å
722	V	97.3	Very high	95.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-33.1	172.6	-178.4	0	0	0	0	110.9	Y695 V698 F718 K719 E724 L725 L726	Y695-V722 HydrophobicContact CD2-CG2 3.8Å; Y695-V722 HydrophobicContact CG-CG2 4.48Å; V698-V722 HydrophobicContact CB-CG1 4.46Å; V698-V722 HydrophobicContact CG1-CG1 4.06Å; V698-V722 HydrophobicContact CG2-CG1 4.2Å; F718-V722 HydrophobicContact CB-CB 4.14Å; F718-V722 HydrophobicContact CB-CG1 4.23Å; F718-V722 HydrophobicContact CB-CG2 4.38Å; F718-V722 HydrophobicContact CD1-CB 4.29Å; F718-V722 HydrophobicContact CD1-CG1 3.92Å; F718-V722 HydrophobicContact CD1-CG2 3.93Å; F718-V722 HydrophobicContact CD2-CG1 3.8Å; F718-V722 HydrophobicContact CE1-CG1 4.13Å; F718-V722 HydrophobicContact CE1-CG2 4.47Å; F718-V722 HydrophobicContact CE2-CG1 4Å; F718-V722 HydrophobicContact CG-CB 4.13Å; F718-V722 HydrophobicContact CG-CG1 3.74Å; F718-V722 HydrophobicContact CG-CG2 4.25Å; F718-V722 HydrophobicContact CZ-CG1 4.17Å; K719-V722 PolarHBondContact O-N 3.34Å; V722-E724 VanDerWaalsContact C-N 3.32Å; V722-E724 PolarHBondContact O-N 2.9Å; V722-L725 WeakPolarHBondContact O-CB 3.37Å; V722-L725 PolarHBondContact O-N 2.82Å; V722-L726 HydrophobicContact CG1-CD1 4.12Å; V722-L726 HydrophobicContact CG1-CG 4.16Å; V722-L726 WeakPolarHBondContact O-CG 3.4Å; V722-L726 PolarHBondContact O-N 2.85Å
723	M	97.4	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-28.9	178.4	-63.2	-54.6	102	0	0	112.9	F718 K719 D720 D721 L726 G727 L742 I747 A754 L755	F718-M723 HydrophobicContact CB-CE 3.91Å; F718-M723 HydrophobicContact CD2-CE 4.03Å; F718-M723 HydrophobicContact CG-CE 4.37Å; K719-M723 PolarHBondContact O-N 2.81Å; D720-M723 WeakPolarHBondContact O-CB 3.28Å; D720-M723 PolarHBondContact O-N 2.97Å; D720-M723 VanDerWaalsContact O-N 3.14Å; D721-M723 VanDerWaalsContact C-N 3.27Å; D721-M723 PolarHBondContact O-N 3.01Å; M723-L726 HydrophobicContact CE-CD1 3.77Å; M723-G727 WeakPolarHBondContact O-CA 3.23Å; M723-G727 PolarHBondContact O-N 3.03Å; M723-L742 HydrophobicContact CE-CD2 4.14Å; M723-L742 HydrophobicContact SD-CD1 3.94Å; M723-L742 HydrophobicContact SD-CD2 4.46Å; M723-I747 HydrophobicContact CE-CD1 3.99Å; M723-I747 HydrophobicContact CE-CG1 4.15Å; M723-I747 HydrophobicContact CG-CD1 4.22Å; M723-I747 HydrophobicContact CG-CG1 3.94Å; M723-I747 HydrophobicContact CG-CG2 3.94Å; M723-I747 HydrophobicContact SD-CD1 3.47Å; M723-I747 WeakPolarHBondContact SD-CD1 3.37Å; M723-I747 HydrophobicContact SD-CG1 3.83Å; M723-I747 HydrophobicContact SD-CG2 4.46Å; M723-A754 HydrophobicContact CB-CB 4.13Å; M723-L755 HydrophobicContact CB-CG 4.39Å; M723-L755 HydrophobicContact SD-CD1 3.88Å; M723-L755 HydrophobicContact SD-CD2 4.08Å; M723-L755 HydrophobicContact SD-CG 4.09Å
724	E	96.2	Very high	93.1	Very high	97 Å²	97	46.3 Å²	46.3	45%	0.453	25%	0.246	S	C	.	.	H	α-helix	trans	-67	-41.2	170.3	-67.7	-71.7	179.3	0	0	110.8	D720 D721 V722 G727 S728 A754 R757	D720-E724 PolarHBondContact O-N 3.42Å; D721-E724 PolarHBondContact O-N 3.03Å; V722-E724 VanDerWaalsContact C-N 3.32Å; V722-E724 PolarHBondContact O-N 2.9Å; E724-G727 PolarHBondContact O-N 3.11Å; E724-S728 PolarHBondContact O-N 2.82Å; E724-A754 VanDerWaalsContact CD-CB 3.48Å; E724-A754 HydrophobicContact CG-CB 4.01Å; E724-R757 IonicContact OE1-NH1 2.83Å
725	L	95.9	Very high	92.5	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-52.5	174.6	-63.5	-179.6	0	0	0	111.4	Y695 V698 K699 L702 D721 V722 G727 S728 L729	Y695-L725 HydrophobicContact CD2-CD1 4.07Å; Y695-L725 HydrophobicContact CE2-CD1 3.58Å; Y695-L725 HydrophobicContact CE2-CG 4.28Å; V698-L725 HydrophobicContact CG1-CD1 4.48Å; K699-L725 HydrophobicContact CB-CD1 3.98Å; K699-L725 HydrophobicContact CG-CD1 4.47Å; L702-L725 HydrophobicContact CD1-CB 4.13Å; L702-L725 HydrophobicContact CD2-CB 4.19Å; L702-L725 HydrophobicContact CD2-CD2 4.4Å; D721-L725 PolarHBondContact O-N 2.93Å; V722-L725 WeakPolarHBondContact O-CB 3.37Å; V722-L725 PolarHBondContact O-N 2.82Å; L725-G727 VanDerWaalsContact C-N 3.27Å; L725-G727 PolarHBondContact O-N 3.16Å; L725-S728 PolarHBondContact O-N 2.89Å; L725-S728 PolarHBondContact O-OG 3.19Å; L725-L729 PolarHBondContact O-N 2.97Å; L725-L729 VanDerWaalsContact O-N 3.08Å
726	L	96.6	Very high	91.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-32.1	178.4	-65.2	-177.5	0	0	0	112.1	V698 L702 L705 L713 F718 V722 M723 L729 L730 L742	V698-L726 HydrophobicContact CG1-CD2 4.2Å; L702-L726 HydrophobicContact CD1-CD2 4.11Å; L705-L726 HydrophobicContact CD1-CD2 4.46Å; L713-L726 HydrophobicContact CD1-CD1 3.73Å; L713-L726 HydrophobicContact CD1-CD2 4.23Å; F718-L726 HydrophobicContact CE2-CD1 4.45Å; V722-L726 HydrophobicContact CG1-CD1 4.12Å; V722-L726 HydrophobicContact CG1-CG 4.16Å; V722-L726 WeakPolarHBondContact O-CG 3.4Å; V722-L726 PolarHBondContact O-N 2.85Å; M723-L726 HydrophobicContact CE-CD1 3.77Å; L726-L729 WeakPolarHBondContact O-CB 3.37Å; L726-L729 PolarHBondContact O-N 3.39Å; L726-L730 WeakPolarHBondContact O-CB 3.23Å; L726-L730 VanDerWaalsContact O-CG 3.29Å; L726-L730 WeakPolarHBondContact O-CG 3.19Å; L726-L730 PolarHBondContact O-N 2.71Å; L726-L742 HydrophobicContact CD1-CD2 3.69Å
727	G	95.4	Very high	91.7	Very high	5 Å²	5	41.1 Å²	41.1	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-43.8	172.8	0	0	0	0	0	111.8	M723 E724 L725 L729 L730 S731 A758	M723-G727 WeakPolarHBondContact O-CA 3.23Å; M723-G727 PolarHBondContact O-N 3.03Å; E724-G727 PolarHBondContact O-N 3.11Å; L725-G727 VanDerWaalsContact C-N 3.27Å; L725-G727 PolarHBondContact O-N 3.16Å; G727-L729 VanDerWaalsContact C-N 3.35Å; G727-L729 PolarHBondContact O-N 3.09Å; G727-L730 PolarHBondContact O-N 3.48Å; G727-S731 WeakPolarHBondContact O-CB 3.43Å; G727-S731 PolarHBondContact O-N 3.01Å; G727-S731 PolarHBondContact O-OG 3.38Å; G727-A758 VanDerWaalsContact O-CB 3.22Å; G727-A758 WeakPolarHBondContact O-CB 3.42Å
728	S	92.7	Very high	91.7	Very high	66 Å²	66	40.5 Å²	40.5	46%	0.462	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-39.7	174.2	70.4	0	0	0	0	112.5	E724 L725 S731 A732	E724-S728 PolarHBondContact O-N 2.82Å; L725-S728 PolarHBondContact O-N 2.89Å; L725-S728 PolarHBondContact O-OG 3.19Å; S728-S731 PolarHBondContact O-N 3.15Å; S728-A732 PolarHBondContact O-N 3.14Å
729	L	92.9	Very high	91.7	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-48.1	174.6	-176.8	154.2	0	0	0	112	L702 L705 L706 L725 L726 G727 S731 A732 I737	L702-L729 HydrophobicContact CD1-CB 3.99Å; L702-L729 HydrophobicContact CD1-CD1 3.7Å; L702-L729 HydrophobicContact CD1-CG 4.5Å; L702-L729 HydrophobicContact CG-CB 4.36Å; L702-L729 HydrophobicContact CG-CD1 4.06Å; L702-L729 WeakPolarHBondContact O-CD1 3.25Å; L705-L729 HydrophobicContact CB-CD1 3.57Å; L706-L729 HydrophobicContact CD2-CD1 4.49Å; L706-L729 HydrophobicContact CD2-CD2 3.94Å; L706-L729 HydrophobicContact CD2-CG 3.69Å; L706-L729 HydrophobicContact CG-CD1 4.36Å; L706-L729 HydrophobicContact CG-CG 4.06Å; L725-L729 PolarHBondContact O-N 2.97Å; L725-L729 VanDerWaalsContact O-N 3.08Å; L726-L729 WeakPolarHBondContact O-CB 3.37Å; L726-L729 PolarHBondContact O-N 3.39Å; G727-L729 VanDerWaalsContact C-N 3.35Å; G727-L729 PolarHBondContact O-N 3.09Å; L729-S731 PolarHBondContact O-N 2.97Å; L729-A732 VanDerWaalsContact O-CB 3.24Å; L729-A732 WeakPolarHBondContact O-CB 3.3Å; L729-A732 PolarHBondContact O-N 3.29Å; L729-A732 VanDerWaalsContact O-N 3.13Å; L729-I737 HydrophobicContact CD2-CD1 3.42Å; L729-I737 VanDerWaalsContact CD2-CD1 3.42Å
730	L	93.4	Very high	91.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-67.7	-22.3	179.4	-69.8	173	0	0	0	112.3	L726 G727 A732 I737 L755 A758 N762	L726-L730 WeakPolarHBondContact O-CB 3.23Å; L726-L730 VanDerWaalsContact O-CG 3.29Å; L726-L730 WeakPolarHBondContact O-CG 3.19Å; L726-L730 PolarHBondContact O-N 2.71Å; G727-L730 PolarHBondContact O-N 3.48Å; L730-A732 VanDerWaalsContact C-N 3.35Å; L730-I737 HydrophobicContact CD2-CB 4.33Å; L730-I737 HydrophobicContact CD2-CD1 4.17Å; L730-L755 HydrophobicContact CD1-CD2 4.17Å; L730-A758 HydrophobicContact CB-CB 3.9Å; L730-N762 WeakPolarHBondContact O-CB 3.48Å; L730-N762 PolarHBondContact O-ND2 3.17Å
731	S	91.3	Very high	91.9	Very high	51 Å²	51	38 Å²	38	36%	0.357	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.1	175.4	-54.5	0	0	0	0	113.5	G727 S728 L729 A758	G727-S731 WeakPolarHBondContact O-CB 3.43Å; G727-S731 PolarHBondContact O-N 3.01Å; G727-S731 PolarHBondContact O-OG 3.38Å; S728-S731 PolarHBondContact O-N 3.15Å; L729-S731 PolarHBondContact O-N 2.97Å; S731-A758 VanDerWaalsContact OG-CA 3.29Å; S731-A758 WeakPolarHBondContact OG-CA 3.18Å; S731-A758 WeakPolarHBondContact OG-CB 3.26Å
732	A	84.8	Confident	92	Very high	35 Å²	35	34.3 Å²	34.3	29%	0.289	18%	0.176	S	C	.	.	S	Bend	trans	-66.6	142.3	-178.7	0	0	0	0	0	111.2	L706 S728 L729 L730 D734 C735	L706-A732 HydrophobicContact CD2-CB 3.85Å; S728-A732 PolarHBondContact O-N 3.14Å; L729-A732 VanDerWaalsContact O-CB 3.24Å; L729-A732 WeakPolarHBondContact O-CB 3.3Å; L729-A732 PolarHBondContact O-N 3.29Å; L729-A732 VanDerWaalsContact O-N 3.13Å; L730-A732 VanDerWaalsContact C-N 3.35Å; A732-D734 PolarHBondContact O-N 2.99Å; A732-C735 VanDerWaalsContact O-CB 3.23Å; A732-C735 WeakPolarHBondContact O-CB 3.46Å; A732-C735 PolarHBondContact O-N 3.21Å; A732-C735 VanDerWaalsContact O-N 3.11Å
733	K	77.7	Confident	92	Very high	142 Å²	142	34.2 Å²	34.2	62%	0.617	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.5	177.7	-71.6	-170.7	174	-169.4	0	111.8	C735	K733-C735 VanDerWaalsContact C-N 3.26Å; K733-C735 PolarHBondContact O-N 3.44Å
734	D	73.9	Confident	92.1	Very high	29 Å²	29	36.8 Å²	36.8	16%	0.155	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	24.7	178.9	-48.3	-75.2	0	0	0	113.1	S172 R192 A732 H736	S172-D734 WeakPolarHBondContact CB-OD1 3.15Å; S172-D734 WeakPolarHBondContact CB-OD2 3.4Å; S172-D734 PolarHBondContact OG-OD1 2.96Å; S172-D734 PolarHBondContact OG-OD2 3.37Å; S172-D734 VanDerWaalsContact OG-OD2 3.09Å; R192-D734 IonicContact NH2-OD1 3.03Å; A732-D734 PolarHBondContact O-N 2.99Å; D734-H736 PolarHBondContact O-CE1 3.39Å; D734-H736 PolarHBondContact O-N 3.05Å; D734-H736 PolarHBondContact O-ND1 3.09Å
735	C	83.9	Confident	92.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.014	17%	0.171	C	C	.	.			trans	-77.6	117	177.7	-175.3	0	0	0	0	111.3	L706 A732 K733 T764	L706-C735 HydrophobicContact CD2-CB 4.33Å; A732-C735 VanDerWaalsContact O-CB 3.23Å; A732-C735 WeakPolarHBondContact O-CB 3.46Å; A732-C735 PolarHBondContact O-N 3.21Å; A732-C735 VanDerWaalsContact O-N 3.11Å; K733-C735 VanDerWaalsContact C-N 3.26Å; K733-C735 PolarHBondContact O-N 3.44Å; C735-T764 WeakPolarHBondContact O-CB 3.43Å; C735-T764 WeakPolarHBondContact O-CG2 3.48Å; C735-T764 PolarHBondContact O-OG1 3.36Å
736	H	83.4	Confident	92.2	Very high	25 Å²	25	34.3 Å²	34.3	12%	0.116	18%	0.182	C	C	.	.			trans	-103.4	3.7	179.9	-56.7	88.1	0	0	0	113.9	R191 C708 D734 R738	R191-H736 PolarHBondContact O-CD2 3Å; C708-H736 CarbonylContact O-C 3.4Å; D734-H736 PolarHBondContact O-CE1 3.39Å; D734-H736 PolarHBondContact O-N 3.05Å; D734-H736 PolarHBondContact O-ND1 3.09Å; H736-R738 PolarHBondContact O-N 3.26Å
737	I	92.4	Very high	92.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.			trans	-69.6	117.7	-175.5	-59.6	174.6	0	0	0	110	C708 L711 L729 L730 I740 T764 L765	C708-I737 HydrophobicContact CB-CG1 4.43Å; C708-I737 WeakPolarHBondContact O-CA 3.1Å; C708-I737 VanDerWaalsContact O-CG1 3.23Å; C708-I737 WeakPolarHBondContact O-CG1 3.46Å; C708-I737 PolarHBondContact O-N 2.97Å; L711-I737 HydrophobicContact CD2-CD1 3.96Å; L729-I737 HydrophobicContact CD2-CD1 3.42Å; L729-I737 VanDerWaalsContact CD2-CD1 3.42Å; L730-I737 HydrophobicContact CD2-CB 4.33Å; L730-I737 HydrophobicContact CD2-CD1 4.17Å; I737-I740 HydrophobicContact CG2-CB 4.15Å; I737-T764 CarbonylContact O-C 3.48Å; I737-T764 PolarHBondContact O-OG1 3.21Å; I737-L765 HydrophobicContact CG2-CD1 3.89Å; I737-L765 WeakPolarHBondContact O-CA 3.47Å; I737-L765 PolarHBondContact O-N 2.85Å
738	R	94	Very high	92.4	Very high	103 Å²	103	35.2 Å²	35.2	39%	0.389	19%	0.187	S	C	.	.			trans	-95.3	-32.8	176.5	-67.1	-168.8	-176.9	-169.8	4.7	113.5	N193 T709 H736 T764 T766 A767	N193-R738 VanDerWaalsContact CG-NH2 3.26Å; N193-R738 PolarHBondContact ND2-NH2 3.26Å; T709-R738 HydrophobicContact CG2-CB 4.19Å; T709-R738 HydrophobicContact CG2-CG 4.01Å; T709-R738 PolarHBondContact O-N 3.43Å; H736-R738 PolarHBondContact O-N 3.26Å; R738-T764 WeakPolarHBondContact CA-O 3.39Å; R738-T766 PolarHBondContact O-N 3.44Å; R738-T766 PolarHBondContact O-OG1 2.66Å; R738-A767 PolarHBondContact O-N 2.92Å; R738-A767 VanDerWaalsContact O-N 3.11Å
739	K	97.6	Very high	92.6	Very high	103 Å²	103	34.7 Å²	34.7	45%	0.448	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.1	175.5	-48	-168.4	-163.6	156.9	0	110.1	T709 H710 L711 A767	T709-K739 PolarHBondContact O-N 3.37Å; H710-K739 WeakPolarHBondContact CA-O 3.26Å; H710-K739 VanDerWaalsContact CD2-CD 3.46Å; H710-K739 WeakPolarHBondContact CD2-CD 3.45Å; H710-K739 WeakPolarHBondContact CD2-CG 3.26Å; H710-K739 WeakPolarHBondContact NE2-CE 2.85Å; L711-K739 PolarHBondContact N-O 3.3Å; K739-A767 VanDerWaalsContact CA-O 3.31Å; K739-A767 WeakPolarHBondContact CA-O 3.49Å; K739-A767 HydrophobicContact CB-CB 4.26Å; K739-A767 HydrophobicContact CD-CB 4.05Å; K739-A767 HydrophobicContact CG-CB 3.9Å
740	I	98.1	Very high	92.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.9	173.7	-163.8	173.9	0	0	0	110.1	L711 L713 I737 L742 L765 A767 I768 N769	L711-I740 HydrophobicContact CB-CG1 4.35Å; L711-I740 HydrophobicContact CD2-CD1 4.42Å; L711-I740 CarbonylContact O-C 3.43Å; L711-I740 VanDerWaalsContact O-CA 3.32Å; L711-I740 WeakPolarHBondContact O-CA 3.14Å; L713-I740 HydrophobicContact CD1-CD1 4.32Å; I737-I740 HydrophobicContact CG2-CB 4.15Å; I740-L742 HydrophobicContact CD1-CD1 4.35Å; I740-L742 HydrophobicContact CD1-CD2 4.28Å; I740-L742 HydrophobicContact CD1-CG 4.24Å; I740-L742 HydrophobicContact CG1-CG 4.22Å; I740-L765 HydrophobicContact CB-CD1 4.11Å; I740-L765 HydrophobicContact CG2-CD1 3.79Å; I740-L765 HydrophobicContact CG2-CD2 3.97Å; I740-A767 PolarHBondContact N-O 3.01Å; I740-A767 VanDerWaalsContact N-O 3.1Å; I740-I768 HydrophobicContact CG2-CB 4.33Å; I740-I768 HydrophobicContact CG2-CD1 4.18Å; I740-I768 HydrophobicContact CG2-CG1 3.74Å; I740-I768 WeakPolarHBondContact O-CA 3.13Å; I740-N769 PolarHBondContact O-N 3.15Å
741	S	98.4	Very high	93.1	Very high	11 Å²	11	41 Å²	41	8%	0.077	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.1	171.6	-164.8	0	0	0	0	109.8	L711 L713 E714 N769	L711-S741 PolarHBondContact O-N 3.47Å; L713-S741 CarbonylContact C-O 3.28Å; L713-S741 WeakPolarHBondContact CA-O 3.13Å; L713-S741 PolarHBondContact N-O 3.02Å; E714-S741 WeakPolarHBondContact CG-OG 3.41Å; E714-S741 WeakPolarHBondContact OE1-CB 3.3Å; E714-S741 PolarHBondContact OE1-OG 3.39Å; S741-N769 PolarHBondContact OG-ND2 3.22Å
742	L	98.3	Very high	93.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.			trans	-114.9	23.5	176.6	-67	168.8	0	0	0	110	L713 F718 M723 L726 I740 N745 I747 L755 N769 L770 N773	L713-L742 HydrophobicContact CB-CD2 4.09Å; L713-L742 HydrophobicContact CD1-CD2 4Å; F718-L742 HydrophobicContact CD2-CD2 4.46Å; M723-L742 HydrophobicContact CE-CD2 4.14Å; M723-L742 HydrophobicContact SD-CD1 3.94Å; M723-L742 HydrophobicContact SD-CD2 4.46Å; L726-L742 HydrophobicContact CD1-CD2 3.69Å; I740-L742 HydrophobicContact CD1-CD1 4.35Å; I740-L742 HydrophobicContact CD1-CD2 4.28Å; I740-L742 HydrophobicContact CD1-CG 4.24Å; I740-L742 HydrophobicContact CG1-CG 4.22Å; L742-N745 PolarHBondContact O-ND2 2.91Å; L742-I747 HydrophobicContact CB-CD1 3.87Å; L742-I747 HydrophobicContact CD1-CD1 4.34Å; L742-L755 HydrophobicContact CD1-CD1 3.88Å; L742-L755 HydrophobicContact CD1-CD2 4.17Å; L742-N769 CarbonylContact C-O 3.28Å; L742-N769 WeakPolarHBondContact CA-O 3.29Å; L742-N769 PolarHBondContact N-O 2.85Å; L742-L770 HydrophobicContact CB-CD2 4Å; L742-L770 HydrophobicContact CD1-CD2 4.02Å; L742-N773 PolarHBondContact O-ND2 3.3Å
743	A	98.3	Very high	94	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	19%	0.193	C	C	.	.			trans	-65.2	155.9	-176.5	0	0	0	0	0	112.1	E714 N715 N745 N769 K771	E714-A743 CarbonylContact C-O 3.57Å; E714-A743 WeakPolarHBondContact CA-O 3.18Å; E714-A743 HydrophobicContact CG-CB 4.05Å; N715-A743 PolarHBondContact N-O 3.05Å; N715-A743 VanDerWaalsContact N-O 3.12Å; A743-N745 VanDerWaalsContact C-N 3.31Å; A743-N745 PolarHBondContact O-N 3.38Å; A743-N745 PolarHBondContact O-ND2 2.86Å; A743-N769 PolarHBondContact N-O 3.13Å; A743-K771 CarbonylContact C-O 3.41Å; A743-K771 WeakPolarHBondContact CA-O 3.14Å; A743-K771 HydrophobicContact CB-CB 3.89Å; A743-K771 HydrophobicContact CB-CG 4.47Å
744	D	98	Very high	94.9	Very high	54 Å²	54	34.1 Å²	34.1	29%	0.289	16%	0.164	S	C	.	.	S	Bend	trans	59	44.5	173	-60.9	-77.6	0	0	0	111.2	N715 K771 N772	N715-D744 WeakPolarHBondContact CA-O 3.47Å; N715-D744 HydrophobicContact CB-CB 4.44Å; N715-D744 PolarHBondContact N-O 3.24Å; D744-K771 PolarHBondContact N-O 2.99Å; D744-K771 IonicContact OD1-NZ 3.83Å; D744-K771 IonicContact OD2-NZ 3.71Å; D744-K771 PolarHBondContact OD2-NZ 3.27Å; D744-N772 WeakPolarHBondContact CA-O 3.41Å; D744-N772 PolarHBondContact N-O 2.86Å; D744-N772 VanDerWaalsContact OD1-CB 3.22Å; D744-N772 WeakPolarHBondContact OD1-CB 3.31Å; D744-N772 PolarHBondContact OD1-ND2 3.32Å
745	N	97.9	Very high	96.1	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	16%	0.157	C	C	.	.	S	Bend	trans	-120.6	-170.3	174.4	-77.2	-70.2	0	0	0	109.8	L713 N716 N717 F718 L742 A743 I747 N772 N773	L713-N745 PolarHBondContact O-ND2 3.36Å; N716-N745 PolarHBondContact N-OD1 3.42Å; N716-N745 VanDerWaalsContact N-OD1 3.08Å; N717-N745 PolarHBondContact N-OD1 2.76Å; N717-N745 VanDerWaalsContact N-OD1 3.13Å; F718-N745 HydrophobicContact CB-CB 4.17Å; F718-N745 WeakPolarHBondContact CB-OD1 3.41Å; F718-N745 PolarHBondContact N-OD1 2.62Å; L742-N745 PolarHBondContact O-ND2 2.91Å; A743-N745 VanDerWaalsContact C-N 3.31Å; A743-N745 PolarHBondContact O-N 3.38Å; A743-N745 PolarHBondContact O-ND2 2.86Å; N745-I747 HydrophobicContact CB-CD1 4.29Å; N745-I747 HydrophobicContact CB-CG1 4.17Å; N745-N772 PolarHBondContact N-O 2.86Å; N745-N773 WeakPolarHBondContact CA-OD1 3.38Å; N745-N773 VanDerWaalsContact CB-OD1 3.3Å; N745-N773 WeakPolarHBondContact CB-OD1 3.41Å; N745-N773 PolarHBondContact O-OD1 2.74Å; N745-N773 VanDerWaalsContact O-OD1 3.04Å
746	V	97.4	Very high	96.7	Very high	67 Å²	67	33.1 Å²	33.1	41%	0.406	16%	0.159	S	C	.	.			trans	-116.7	43.2	-178.1	-160.4	0	0	0	0	110.4	F718 K719 S748 N773	F718-V746 CarbonylContact O-C 3.53Å; F718-V746 VanDerWaalsContact O-C 3.24Å; F718-V746 VanDerWaalsContact O-CA 3.31Å; F718-V746 WeakPolarHBondContact O-CA 3.46Å; F718-V746 PolarHBondContact O-N 3.25Å; K719-V746 HydrophobicContact CG-CB 4.29Å; V746-S748 PolarHBondContact O-N 3.01Å; V746-N773 PolarHBondContact N-OD1 3.13Å
747	I	97.9	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.			trans	-75.6	123.4	-179.1	-58.9	165.8	0	0	0	109.4	M723 L742 N745 L770 N773 S774 I775	M723-I747 HydrophobicContact CE-CD1 3.99Å; M723-I747 HydrophobicContact CE-CG1 4.15Å; M723-I747 HydrophobicContact CG-CD1 4.22Å; M723-I747 HydrophobicContact CG-CG1 3.94Å; M723-I747 HydrophobicContact CG-CG2 3.94Å; M723-I747 HydrophobicContact SD-CD1 3.47Å; M723-I747 WeakPolarHBondContact SD-CD1 3.37Å; M723-I747 HydrophobicContact SD-CG1 3.83Å; M723-I747 HydrophobicContact SD-CG2 4.46Å; L742-I747 HydrophobicContact CB-CD1 3.87Å; L742-I747 HydrophobicContact CD1-CD1 4.34Å; N745-I747 HydrophobicContact CB-CD1 4.29Å; N745-I747 HydrophobicContact CB-CG1 4.17Å; I747-L770 HydrophobicContact CD1-CD2 4.1Å; I747-N773 HydrophobicContact CB-CB 4.19Å; I747-N773 VanDerWaalsContact CB-OD1 3.27Å; I747-N773 WeakPolarHBondContact CB-OD1 3.36Å; I747-N773 WeakPolarHBondContact CD1-OD1 3.19Å; I747-N773 VanDerWaalsContact CG1-OD1 3.27Å; I747-N773 WeakPolarHBondContact CG1-OD1 3.44Å; I747-N773 PolarHBondContact N-OD1 3.03Å; I747-S774 CarbonylContact O-C 3.25Å; I747-S774 VanDerWaalsContact O-CA 3.32Å; I747-S774 WeakPolarHBondContact O-CA 3.38Å; I747-S774 PolarHBondContact O-N 2.7Å; I747-I775 PolarHBondContact O-N 2.96Å
748	S	97.8	Very high	97.4	Very high	25 Å²	25	38.1 Å²	38.1	18%	0.175	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-95	-173.6	177.6	89.8	0	0	0	0	112.1	D720 V746 K750 G751 A752 S774	D720-S748 WeakPolarHBondContact OD1-CB 3.43Å; D720-S748 PolarHBondContact OD1-N 3.26Å; D720-S748 PolarHBondContact OD1-OG 3.18Å; D720-S748 PolarHBondContact OD2-OG 3.26Å; V746-S748 PolarHBondContact O-N 3.01Å; S748-K750 PolarHBondContact O-N 2.89Å; S748-K750 PolarHBondContact OG-N 2.79Å; S748-K750 VanDerWaalsContact OG-N 3.12Å; S748-G751 PolarHBondContact O-N 3.4Å; S748-A752 PolarHBondContact O-N 3.44Å; S748-S774 WeakPolarHBondContact CA-O 3.42Å
749	N	97.6	Very high	97.5	Very high	55 Å²	55	33.4 Å²	33.4	29%	0.294	16%	0.16	S	C	.	.	H	α-helix	trans	-58.1	-27.9	170.8	64.1	-9.3	0	0	0	113.7	K753 I775 K778	N749-K753 PolarHBondContact O-N 2.92Å; N749-I775 WeakPolarHBondContact CA-O 3.33Å; N749-I775 WeakPolarHBondContact CB-O 3.18Å; N749-K778 HydrophobicContact CB-CB 4.11Å
750	K	97.7	Very high	97.3	Very high	144 Å²	144	32 Å²	32	63%	0.626	16%	0.157	S	C	*	.	H	α-helix	trans	-72.4	-44.6	176.8	-65.8	-179.9	-178.5	177.8	0	111.3	D720 S748 A752 K753 A754	D720-K750 HydrophobicContact CB-CB 4.12Å; S748-K750 PolarHBondContact O-N 2.89Å; S748-K750 PolarHBondContact OG-N 2.79Å; S748-K750 VanDerWaalsContact OG-N 3.12Å; K750-A752 VanDerWaalsContact C-N 3.32Å; K750-A752 PolarHBondContact O-N 2.83Å; K750-K753 WeakPolarHBondContact O-CA 3.35Å; K750-K753 VanDerWaalsContact O-CB 3.25Å; K750-K753 WeakPolarHBondContact O-CB 3.49Å; K750-K753 PolarHBondContact O-N 3.19Å; K750-K753 VanDerWaalsContact O-N 3.11Å; K750-A754 PolarHBondContact O-N 2.63Å
751	G	97.6	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-37.4	174.7	0	0	0	0	0	112.2	D720 S748 K753 A754 L755	D720-G751 VanDerWaalsContact CG-N 3.29Å; D720-G751 VanDerWaalsContact OD1-CA 3.28Å; D720-G751 WeakPolarHBondContact OD1-CA 3.45Å; D720-G751 PolarHBondContact OD1-N 2.7Å; S748-G751 PolarHBondContact O-N 3.4Å; G751-K753 VanDerWaalsContact C-N 3.29Å; G751-K753 PolarHBondContact O-N 3.5Å; G751-A754 WeakPolarHBondContact O-CB 3.19Å; G751-A754 PolarHBondContact O-N 3Å; G751-A754 VanDerWaalsContact O-N 3.16Å; G751-L755 WeakPolarHBondContact O-CG 3.47Å; G751-L755 PolarHBondContact O-N 3.48Å
752	A	98.1	Very high	96.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-37.5	170.7	0	0	0	0	0	112.6	S748 K750 L755 S756 I775 L783	S748-A752 PolarHBondContact O-N 3.44Å; K750-A752 VanDerWaalsContact C-N 3.32Å; K750-A752 PolarHBondContact O-N 2.83Å; A752-L755 PolarHBondContact O-N 3.36Å; A752-S756 WeakPolarHBondContact O-CB 3.49Å; A752-S756 PolarHBondContact O-N 2.9Å; A752-I775 HydrophobicContact CB-CG1 4.28Å; A752-I775 HydrophobicContact CB-CG2 3.86Å; A752-L783 HydrophobicContact CB-CD1 4.45Å; A752-L783 HydrophobicContact CB-CG 4.35Å
753	K	98	Very high	96	Very high	80 Å²	80	41.1 Å²	41.1	35%	0.348	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-44.2	172.5	-169	-178.2	-177.6	176	0	111.8	N749 K750 G751 S756 R757 F782	N749-K753 PolarHBondContact O-N 2.92Å; K750-K753 WeakPolarHBondContact O-CA 3.35Å; K750-K753 VanDerWaalsContact O-CB 3.25Å; K750-K753 WeakPolarHBondContact O-CB 3.49Å; K750-K753 PolarHBondContact O-N 3.19Å; K750-K753 VanDerWaalsContact O-N 3.11Å; G751-K753 VanDerWaalsContact C-N 3.29Å; G751-K753 PolarHBondContact O-N 3.5Å; K753-S756 WeakPolarHBondContact CA-OG 3.44Å; K753-S756 PolarHBondContact O-N 3.47Å; K753-S756 PolarHBondContact O-OG 3.47Å; K753-R757 PolarHBondContact O-N 3.34Å; K753-R757 VanDerWaalsContact O-N 3.17Å; K753-F782 HydrophobicContact CB-CB 4.44Å; K753-F782 HydrophobicContact CB-CD2 3.57Å; K753-F782 HydrophobicContact CB-CE2 3.87Å; K753-F782 HydrophobicContact CB-CG 3.95Å; K753-F782 HydrophobicContact CB-CZ 4.47Å; K753-F782 HydrophobicContact CD-CD1 4.44Å; K753-F782 HydrophobicContact CD-CD2 4.35Å; K753-F782 HydrophobicContact CD-CE1 4.01Å; K753-F782 HydrophobicContact CD-CE2 3.91Å; K753-F782 HydrophobicContact CD-CZ 3.73Å; K753-F782 HydrophobicContact CG-CD1 4.01Å; K753-F782 HydrophobicContact CG-CD2 3.92Å; K753-F782 HydrophobicContact CG-CE1 4.1Å; K753-F782 HydrophobicContact CG-CE2 4Å; K753-F782 HydrophobicContact CG-CG 3.94Å; K753-F782 HydrophobicContact CG-CZ 4.1Å
754	A	97	Very high	95.6	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-48.1	176.7	0	0	0	0	0	111.6	M723 E724 K750 G751 S756 R757 A758	M723-A754 HydrophobicContact CB-CB 4.13Å; E724-A754 VanDerWaalsContact CD-CB 3.48Å; E724-A754 HydrophobicContact CG-CB 4.01Å; K750-A754 PolarHBondContact O-N 2.63Å; G751-A754 WeakPolarHBondContact O-CB 3.19Å; G751-A754 PolarHBondContact O-N 3Å; G751-A754 VanDerWaalsContact O-N 3.16Å; A754-S756 VanDerWaalsContact C-N 3.33Å; A754-S756 PolarHBondContact O-N 3.23Å; A754-R757 PolarHBondContact O-N 3.3Å; A754-A758 PolarHBondContact O-N 3.25Å
755	L	97.7	Very high	95.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-40.5	175.3	-67.1	175	0	0	0	112.2	M723 L730 L742 G751 A752 R757 A758 L759 I768 L770	M723-L755 HydrophobicContact CB-CG 4.39Å; M723-L755 HydrophobicContact SD-CD1 3.88Å; M723-L755 HydrophobicContact SD-CD2 4.08Å; M723-L755 HydrophobicContact SD-CG 4.09Å; L730-L755 HydrophobicContact CD1-CD2 4.17Å; L742-L755 HydrophobicContact CD1-CD1 3.88Å; L742-L755 HydrophobicContact CD1-CD2 4.17Å; G751-L755 WeakPolarHBondContact O-CG 3.47Å; G751-L755 PolarHBondContact O-N 3.48Å; A752-L755 PolarHBondContact O-N 3.36Å; L755-R757 VanDerWaalsContact C-N 3.31Å; L755-R757 PolarHBondContact O-N 2.8Å; L755-A758 WeakPolarHBondContact O-CB 3.43Å; L755-A758 PolarHBondContact O-N 2.92Å; L755-A758 VanDerWaalsContact O-N 3.12Å; L755-L759 WeakPolarHBondContact O-CG 3.43Å; L755-L759 PolarHBondContact O-N 2.83Å; L755-I768 HydrophobicContact CD1-CD1 4.47Å; L755-L770 HydrophobicContact CD1-CD2 3.8Å
756	S	96.6	Very high	95.3	Very high	9 Å²	9	41 Å²	41	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-39.3	179.1	74.5	0	0	0	0	112.7	A752 K753 A754 A758 L759 L760 F782 A786	A752-S756 WeakPolarHBondContact O-CB 3.49Å; A752-S756 PolarHBondContact O-N 2.9Å; K753-S756 WeakPolarHBondContact CA-OG 3.44Å; K753-S756 PolarHBondContact O-N 3.47Å; K753-S756 PolarHBondContact O-OG 3.47Å; A754-S756 VanDerWaalsContact C-N 3.33Å; A754-S756 PolarHBondContact O-N 3.23Å; S756-A758 VanDerWaalsContact C-N 3.31Å; S756-A758 PolarHBondContact O-N 3.45Å; S756-L759 PolarHBondContact O-N 3.39Å; S756-L760 PolarHBondContact O-N 2.79Å; S756-F782 VanDerWaalsContact CB-O 3.24Å; S756-F782 WeakPolarHBondContact CB-O 3.29Å; S756-A786 VanDerWaalsContact O-CB 3.29Å; S756-A786 WeakPolarHBondContact O-CB 3.49Å
757	R	96.1	Very high	95.4	Very high	128 Å²	128	38.8 Å²	38.8	48%	0.483	19%	0.189	S	C	.	.	H	α-helix	trans	-61.8	-41.3	175.8	-70	171.1	174.2	158.2	-8	111.4	E724 K753 A754 L755 L760	E724-R757 IonicContact OE1-NH1 2.83Å; K753-R757 PolarHBondContact O-N 3.34Å; K753-R757 VanDerWaalsContact O-N 3.17Å; A754-R757 PolarHBondContact O-N 3.3Å; L755-R757 VanDerWaalsContact C-N 3.31Å; L755-R757 PolarHBondContact O-N 2.8Å; R757-L760 WeakPolarHBondContact O-CB 3.49Å; R757-L760 PolarHBondContact O-N 2.94Å
758	A	95.5	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-40.5	176.9	0	0	0	0	0	112.1	G727 L730 S731 A754 L755 S756 L760 V761 N762	G727-A758 VanDerWaalsContact O-CB 3.22Å; G727-A758 WeakPolarHBondContact O-CB 3.42Å; L730-A758 HydrophobicContact CB-CB 3.9Å; S731-A758 VanDerWaalsContact OG-CA 3.29Å; S731-A758 WeakPolarHBondContact OG-CA 3.18Å; S731-A758 WeakPolarHBondContact OG-CB 3.26Å; A754-A758 PolarHBondContact O-N 3.25Å; L755-A758 WeakPolarHBondContact O-CB 3.43Å; L755-A758 PolarHBondContact O-N 2.92Å; L755-A758 VanDerWaalsContact O-N 3.12Å; S756-A758 VanDerWaalsContact C-N 3.31Å; S756-A758 PolarHBondContact O-N 3.45Å; A758-L760 PolarHBondContact O-N 2.98Å; A758-V761 WeakPolarHBondContact O-CG2 3.42Å; A758-V761 PolarHBondContact O-N 2.78Å; A758-N762 VanDerWaalsContact O-CB 3.24Å; A758-N762 WeakPolarHBondContact O-CB 3.4Å; A758-N762 PolarHBondContact O-N 2.59Å
759	L	95.1	Very high	95.4	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-22.5	177.5	-68.6	175.1	0	0	0	113.6	L755 S756 V761 L765 L783 A786 N790	L755-L759 WeakPolarHBondContact O-CG 3.43Å; L755-L759 PolarHBondContact O-N 2.83Å; S756-L759 PolarHBondContact O-N 3.39Å; L759-V761 VanDerWaalsContact C-N 3.3Å; L759-V761 PolarHBondContact O-N 2.8Å; L759-L765 HydrophobicContact CD2-CD2 3.77Å; L759-L783 HydrophobicContact CD1-CD2 4.21Å; L759-A786 HydrophobicContact CB-CB 3.84Å; L759-N790 PolarHBondContact O-ND2 3.37Å
760	L	93.4	Very high	95.5	Very high	74 Å²	74	36.8 Å²	36.8	39%	0.387	18%	0.176	S	C	.	.	H	α-helix	trans	-63.3	-38.5	175	-70.1	170.6	0	0	0	112.1	S756 R757 A758 R763 A786 M789	S756-L760 PolarHBondContact O-N 2.79Å; R757-L760 WeakPolarHBondContact O-CB 3.49Å; R757-L760 PolarHBondContact O-N 2.94Å; A758-L760 PolarHBondContact O-N 2.98Å; L760-R763 PolarHBondContact O-NH1 2.6Å; L760-A786 HydrophobicContact CD2-CB 4.33Å; L760-A786 HydrophobicContact CG-CB 4.43Å; L760-M789 HydrophobicContact CD2-CB 4.04Å; L760-M789 HydrophobicContact CD2-CG 4.16Å
761	V	90.6	Very high	95.5	Very high	84 Å²	84	32.5 Å²	32.5	51%	0.509	16%	0.158	S	C	.	.	H	α-helix	trans	-101.4	-27	-176.1	-62.4	0	0	0	0	113.1	A758 L759 R763	A758-V761 WeakPolarHBondContact O-CG2 3.42Å; A758-V761 PolarHBondContact O-N 2.78Å; L759-V761 VanDerWaalsContact C-N 3.3Å; L759-V761 PolarHBondContact O-N 2.8Å; V761-R763 PolarHBondContact O-N 3.14Å
762	N	90.6	Very high	95.6	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.032	17%	0.168	C	C	.	.			trans	-66.2	133.4	-178.6	-176.4	-80	0	0	0	111.2	L730 A758 T764 L765 N790	L730-N762 WeakPolarHBondContact O-CB 3.48Å; L730-N762 PolarHBondContact O-ND2 3.17Å; A758-N762 VanDerWaalsContact O-CB 3.24Å; A758-N762 WeakPolarHBondContact O-CB 3.4Å; A758-N762 PolarHBondContact O-N 2.59Å; N762-T764 PolarHBondContact ND2-OG1 3.19Å; N762-T764 PolarHBondContact OD1-N 2.96Å; N762-L765 WeakPolarHBondContact OD1-CB 3.34Å; N762-L765 PolarHBondContact OD1-N 2.9Å; N762-N790 PolarHBondContact O-ND2 3.18Å
763	R	87.1	Confident	95.6	Very high	118 Å²	118	34.8 Å²	34.8	45%	0.445	17%	0.17	S	C	.	.			trans	-119.3	2.3	179.2	-60.4	-60.6	-177.8	-120.2	2.8	113.7	L760 V761 A792	L760-R763 PolarHBondContact O-NH1 2.6Å; V761-R763 PolarHBondContact O-N 3.14Å; R763-A792 WeakPolarHBondContact O-CB 3.25Å
764	T	89.4	Confident	95.5	Very high	17 Å²	17	34.4 Å²	34.4	10%	0.104	18%	0.177	C	C	.	.	S	Bend	trans	-107.8	-27.3	-173.2	53.4	0	0	0	0	113.6	H194 C735 I737 R738 N762 T766	H194-T764 HydrophobicContact CB-CG2 4.11Å; C735-T764 WeakPolarHBondContact O-CB 3.43Å; C735-T764 WeakPolarHBondContact O-CG2 3.48Å; C735-T764 PolarHBondContact O-OG1 3.36Å; I737-T764 CarbonylContact O-C 3.48Å; I737-T764 PolarHBondContact O-OG1 3.21Å; R738-T764 WeakPolarHBondContact CA-O 3.39Å; N762-T764 PolarHBondContact ND2-OG1 3.19Å; N762-T764 PolarHBondContact OD1-N 2.96Å; T764-T766 PolarHBondContact O-N 3.42Å
765	L	94.6	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.			trans	-77.2	114.4	-176.9	-165.9	73.9	0	0	0	111.4	I737 I740 L759 N762 I768 A792 L793	I737-L765 HydrophobicContact CG2-CD1 3.89Å; I737-L765 WeakPolarHBondContact O-CA 3.47Å; I737-L765 PolarHBondContact O-N 2.85Å; I740-L765 HydrophobicContact CB-CD1 4.11Å; I740-L765 HydrophobicContact CG2-CD1 3.79Å; I740-L765 HydrophobicContact CG2-CD2 3.97Å; L759-L765 HydrophobicContact CD2-CD2 3.77Å; N762-L765 WeakPolarHBondContact OD1-CB 3.34Å; N762-L765 PolarHBondContact OD1-N 2.9Å; L765-I768 HydrophobicContact CD2-CB 4.1Å; L765-I768 HydrophobicContact CD2-CD1 4.3Å; L765-I768 HydrophobicContact CD2-CG1 4.49Å; L765-A792 CarbonylContact O-C 3.34Å; L765-L793 HydrophobicContact CD2-CD1 4.23Å; L765-L793 HydrophobicContact CG-CD1 4.14Å; L765-L793 WeakPolarHBondContact O-CD1 3.48Å
766	T	96.6	Very high	95.6	Very high	46 Å²	46	35.1 Å²	35.1	28%	0.282	19%	0.185	S	C	.	.			trans	-99.4	-25.6	-179.7	62.7	0	0	0	0	113.1	R738 T764 V794 S795	R738-T766 PolarHBondContact O-N 3.44Å; R738-T766 PolarHBondContact O-OG1 2.66Å; T764-T766 PolarHBondContact O-N 3.42Å; T766-V794 PolarHBondContact O-N 3.41Å; T766-S795 PolarHBondContact O-N 3.17Å
767	A	98.2	Very high	95.6	Very high	19 Å²	19	36.1 Å²	36.1	16%	0.157	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135.3	178	0	0	0	0	0	112.5	R738 K739 I740 S795	R738-A767 PolarHBondContact O-N 2.92Å; R738-A767 VanDerWaalsContact O-N 3.11Å; K739-A767 VanDerWaalsContact CA-O 3.31Å; K739-A767 WeakPolarHBondContact CA-O 3.49Å; K739-A767 HydrophobicContact CB-CB 4.26Å; K739-A767 HydrophobicContact CD-CB 4.05Å; K739-A767 HydrophobicContact CG-CB 3.9Å; I740-A767 PolarHBondContact N-O 3.01Å; I740-A767 VanDerWaalsContact N-O 3.1Å; A767-S795 VanDerWaalsContact CA-O 3.3Å; A767-S795 WeakPolarHBondContact CA-O 3.41Å
768	I	98.3	Very high	95.7	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130	173.9	-168.4	171.2	0	0	0	110.5	I740 L755 L765 L770 L793 S795 I796 N797	I740-I768 HydrophobicContact CG2-CB 4.33Å; I740-I768 HydrophobicContact CG2-CD1 4.18Å; I740-I768 HydrophobicContact CG2-CG1 3.74Å; I740-I768 WeakPolarHBondContact O-CA 3.13Å; L755-I768 HydrophobicContact CD1-CD1 4.47Å; L765-I768 HydrophobicContact CD2-CB 4.1Å; L765-I768 HydrophobicContact CD2-CD1 4.3Å; L765-I768 HydrophobicContact CD2-CG1 4.49Å; I768-L770 HydrophobicContact CD1-CD1 4.05Å; I768-L770 HydrophobicContact CD1-CD2 4.34Å; I768-L770 HydrophobicContact CD1-CG 4.19Å; I768-L770 HydrophobicContact CG1-CD1 4.3Å; I768-L770 HydrophobicContact CG1-CD2 4.49Å; I768-L770 HydrophobicContact CG1-CG 4.07Å; I768-L793 HydrophobicContact CB-CD1 4.31Å; I768-L793 HydrophobicContact CG2-CD1 4.08Å; I768-L793 HydrophobicContact CG2-CD2 3.9Å; I768-S795 PolarHBondContact N-O 3.22Å; I768-S795 VanDerWaalsContact N-O 3.09Å; I768-I796 HydrophobicContact CG2-CB 4.2Å; I768-I796 HydrophobicContact CG2-CD1 4.02Å; I768-I796 HydrophobicContact CG2-CG1 3.66Å; I768-I796 WeakPolarHBondContact O-CA 3.27Å; I768-N797 PolarHBondContact O-N 3.14Å
769	N	98.6	Very high	95.8	Very high	35 Å²	35	37 Å²	37	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.7	175.4	179.6	21.9	0	0	0	110.5	I740 S741 L742 A743 K771 N797	I740-N769 PolarHBondContact O-N 3.15Å; S741-N769 PolarHBondContact OG-ND2 3.22Å; L742-N769 CarbonylContact C-O 3.28Å; L742-N769 WeakPolarHBondContact CA-O 3.29Å; L742-N769 PolarHBondContact N-O 2.85Å; A743-N769 PolarHBondContact N-O 3.13Å; N769-K771 VanDerWaalsContact OD1-CB 3.27Å; N769-K771 WeakPolarHBondContact OD1-CB 3.32Å; N769-K771 PolarHBondContact OD1-N 3.14Å; N769-K771 VanDerWaalsContact OD1-N 3.16Å; N769-N797 HydrophobicContact CB-CB 4.38Å; N769-N797 WeakPolarHBondContact OD1-CB 3.22Å; N769-N797 PolarHBondContact OD1-ND2 3.3Å
770	L	98.4	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.			trans	-117.3	19.6	-179.3	-67	163.5	0	0	0	111.5	L742 I747 L755 I768 N773 I775 L783 N797 L798 N801	L742-L770 HydrophobicContact CB-CD2 4Å; L742-L770 HydrophobicContact CD1-CD2 4.02Å; I747-L770 HydrophobicContact CD1-CD2 4.1Å; L755-L770 HydrophobicContact CD1-CD2 3.8Å; I768-L770 HydrophobicContact CD1-CD1 4.05Å; I768-L770 HydrophobicContact CD1-CD2 4.34Å; I768-L770 HydrophobicContact CD1-CG 4.19Å; I768-L770 HydrophobicContact CG1-CD1 4.3Å; I768-L770 HydrophobicContact CG1-CD2 4.49Å; I768-L770 HydrophobicContact CG1-CG 4.07Å; L770-N773 PolarHBondContact O-ND2 3.39Å; L770-I775 HydrophobicContact CB-CD1 3.78Å; L770-I775 HydrophobicContact CD1-CD1 3.82Å; L770-I775 HydrophobicContact CD2-CD1 4.35Å; L770-I775 HydrophobicContact CG-CD1 4.19Å; L770-L783 HydrophobicContact CD1-CD1 3.89Å; L770-N797 CarbonylContact C-O 3.55Å; L770-N797 WeakPolarHBondContact CA-O 3.42Å; L770-N797 WeakPolarHBondContact CB-O 3.48Å; L770-N797 PolarHBondContact N-O 3.5Å; L770-L798 HydrophobicContact CB-CD2 4.24Å; L770-L798 HydrophobicContact CD1-CD2 3.93Å; L770-N801 PolarHBondContact O-ND2 3.47Å
771	K	98.4	Very high	96.2	Very high	54 Å²	54	38.8 Å²	38.8	24%	0.235	20%	0.203	C	C	.	.			trans	-49.7	145	-179.7	164.4	177.9	165.1	-90.8	0	112.3	A743 D744 N769 N773 Q799	A743-K771 CarbonylContact C-O 3.41Å; A743-K771 WeakPolarHBondContact CA-O 3.14Å; A743-K771 HydrophobicContact CB-CB 3.89Å; A743-K771 HydrophobicContact CB-CG 4.47Å; D744-K771 PolarHBondContact N-O 2.99Å; D744-K771 IonicContact OD1-NZ 3.83Å; D744-K771 IonicContact OD2-NZ 3.71Å; D744-K771 PolarHBondContact OD2-NZ 3.27Å; N769-K771 VanDerWaalsContact OD1-CB 3.27Å; N769-K771 WeakPolarHBondContact OD1-CB 3.32Å; N769-K771 PolarHBondContact OD1-N 3.14Å; N769-K771 VanDerWaalsContact OD1-N 3.16Å; K771-N773 PolarHBondContact O-ND2 2.79Å; K771-N773 VanDerWaalsContact O-ND2 3.16Å; K771-Q799 CarbonylContact C-O 3.34Å; K771-Q799 VanDerWaalsContact CA-O 3.25Å; K771-Q799 WeakPolarHBondContact CA-O 3.3Å; K771-Q799 HydrophobicContact CB-CB 4.23Å; K771-Q799 HydrophobicContact CD-CG 4.46Å; K771-Q799 HydrophobicContact CG-CB 4.16Å; K771-Q799 HydrophobicContact CG-CG 4.19Å
772	N	98.2	Very high	96.5	Very high	41 Å²	41	37.3 Å²	37.3	22%	0.219	19%	0.19	C	C	.	.	S	Bend	trans	54.5	61	173.1	-68.1	-9.1	0	0	0	111.9	D744 N745 Q799 N800	D744-N772 WeakPolarHBondContact CA-O 3.41Å; D744-N772 PolarHBondContact N-O 2.86Å; D744-N772 VanDerWaalsContact OD1-CB 3.22Å; D744-N772 WeakPolarHBondContact OD1-CB 3.31Å; D744-N772 PolarHBondContact OD1-ND2 3.32Å; N745-N772 PolarHBondContact N-O 2.86Å; N772-Q799 PolarHBondContact N-O 3.18Å; N772-N800 VanDerWaalsContact CA-O 3.31Å; N772-N800 WeakPolarHBondContact CA-O 3.45Å; N772-N800 PolarHBondContact N-O 3Å; N772-N800 WeakPolarHBondContact OD1-CB 3.34Å; N772-N800 PolarHBondContact OD1-ND2 3.11Å
773	N	98.3	Very high	96.8	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.043	19%	0.189	C	C	.	.	S	Bend	trans	-133.3	-172.5	173.9	-81.9	-82	0	0	0	109.2	L742 N745 V746 I747 L770 K771 I775 N800 N801	L742-N773 PolarHBondContact O-ND2 3.3Å; N745-N773 WeakPolarHBondContact CA-OD1 3.38Å; N745-N773 VanDerWaalsContact CB-OD1 3.3Å; N745-N773 WeakPolarHBondContact CB-OD1 3.41Å; N745-N773 PolarHBondContact O-OD1 2.74Å; N745-N773 VanDerWaalsContact O-OD1 3.04Å; V746-N773 PolarHBondContact N-OD1 3.13Å; I747-N773 HydrophobicContact CB-CB 4.19Å; I747-N773 VanDerWaalsContact CB-OD1 3.27Å; I747-N773 WeakPolarHBondContact CB-OD1 3.36Å; I747-N773 WeakPolarHBondContact CD1-OD1 3.19Å; I747-N773 VanDerWaalsContact CG1-OD1 3.27Å; I747-N773 WeakPolarHBondContact CG1-OD1 3.44Å; I747-N773 PolarHBondContact N-OD1 3.03Å; L770-N773 PolarHBondContact O-ND2 3.39Å; K771-N773 PolarHBondContact O-ND2 2.79Å; K771-N773 VanDerWaalsContact O-ND2 3.16Å; N773-I775 HydrophobicContact CB-CG1 4.29Å; N773-N800 PolarHBondContact N-O 3.06Å; N773-N801 VanDerWaalsContact C-OD1 3.29Å; N773-N801 WeakPolarHBondContact CB-OD1 3.26Å; N773-N801 WeakPolarHBondContact O-CA 3.47Å; N773-N801 PolarHBondContact O-OD1 3.16Å
774	S	97.1	Very high	97.3	Very high	72 Å²	72	31.6 Å²	31.6	50%	0.503	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-118	38.6	-176.4	-61.1	0	0	0	0	112.5	I747 S748 G776	I747-S774 CarbonylContact O-C 3.25Å; I747-S774 VanDerWaalsContact O-CA 3.32Å; I747-S774 WeakPolarHBondContact O-CA 3.38Å; I747-S774 PolarHBondContact O-N 2.7Å; S748-S774 WeakPolarHBondContact CA-O 3.42Å; S774-G776 PolarHBondContact O-N 3.25Å
775	I	97.6	Very high	97.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.185	C	C	.	.			trans	-62	-42.5	-172.3	-68.7	176.4	0	0	0	112.6	I747 N749 A752 L770 N773 G779 L783 L798 N801	I747-I775 PolarHBondContact O-N 2.96Å; N749-I775 WeakPolarHBondContact CA-O 3.33Å; N749-I775 WeakPolarHBondContact CB-O 3.18Å; A752-I775 HydrophobicContact CB-CG1 4.28Å; A752-I775 HydrophobicContact CB-CG2 3.86Å; L770-I775 HydrophobicContact CB-CD1 3.78Å; L770-I775 HydrophobicContact CD1-CD1 3.82Å; L770-I775 HydrophobicContact CD2-CD1 4.35Å; L770-I775 HydrophobicContact CG-CD1 4.19Å; N773-I775 HydrophobicContact CB-CG1 4.29Å; I775-G779 WeakPolarHBondContact O-CA 3.39Å; I775-G779 PolarHBondContact O-N 2.92Å; I775-L783 HydrophobicContact CD1-CD1 4.27Å; I775-L783 HydrophobicContact CG2-CD1 4.31Å; I775-L798 HydrophobicContact CD1-CD2 4.2Å; I775-N801 HydrophobicContact CB-CB 4.2Å; I775-N801 WeakPolarHBondContact CB-OD1 3.39Å; I775-N801 VanDerWaalsContact CD1-OD1 3.28Å; I775-N801 WeakPolarHBondContact CD1-OD1 3.5Å; I775-N801 WeakPolarHBondContact CG1-OD1 3.45Å; I775-N801 PolarHBondContact N-OD1 3.15Å
776	G	97.7	Very high	97.5	Very high	17 Å²	17	35.5 Å²	35.5	18%	0.175	19%	0.186	C	C	.	.	H	α-helix	trans	62.5	178.3	-178.6	0	0	0	0	0	115	S774 K778 G779 A780 N801	S774-G776 PolarHBondContact O-N 3.25Å; G776-K778 VanDerWaalsContact C-N 3.35Å; G776-K778 PolarHBondContact O-N 3.19Å; G776-G779 PolarHBondContact O-N 3.43Å; G776-A780 PolarHBondContact O-N 2.63Å; G776-N801 WeakPolarHBondContact CA-O 3.38Å; G776-N801 PolarHBondContact N-O 3.39Å
777	S	98	Very high	97.4	Very high	30 Å²	30	33.9 Å²	33.9	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-39.3	-178	-55.8	0	0	0	0	113.6	A780 K781 G804	S777-A780 PolarHBondContact O-N 3.16Å; S777-K781 PolarHBondContact O-N 2.8Å; S777-G804 WeakPolarHBondContact OG-CA 3.27Å; S777-G804 PolarHBondContact OG-N 3.09Å
778	K	97.8	Very high	97.1	Very high	147 Å²	147	38.8 Å²	38.8	64%	0.639	19%	0.193	S	C	*	.	H	α-helix	trans	-64.9	-40.9	177.8	-69.7	-177.6	-179.8	177.5	0	112.1	N749 G776 K781 F782	N749-K778 HydrophobicContact CB-CB 4.11Å; G776-K778 VanDerWaalsContact C-N 3.35Å; G776-K778 PolarHBondContact O-N 3.19Å; K778-K781 WeakPolarHBondContact O-CB 3.19Å; K778-K781 PolarHBondContact O-N 3.01Å; K778-F782 VanDerWaalsContact O-CD2 3.3Å; K778-F782 WeakPolarHBondContact O-CD2 3.49Å; K778-F782 PolarHBondContact O-N 3.06Å
779	G	97.7	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-39.9	176.3	0	0	0	0	0	112.1	I775 G776 K781 F782 L783	I775-G779 WeakPolarHBondContact O-CA 3.39Å; I775-G779 PolarHBondContact O-N 2.92Å; G776-G779 PolarHBondContact O-N 3.43Å; G779-K781 VanDerWaalsContact C-N 3.27Å; G779-K781 PolarHBondContact O-N 3.29Å; G779-F782 PolarHBondContact O-N 2.79Å; G779-L783 PolarHBondContact O-N 2.89Å
780	A	98.1	Very high	96.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-38	173.8	0	0	0	0	0	112.2	G776 S777 L783 A784 I803 I811	G776-A780 PolarHBondContact O-N 2.63Å; S777-A780 PolarHBondContact O-N 3.16Å; A780-L783 PolarHBondContact O-N 3.31Å; A780-A784 WeakPolarHBondContact O-CB 3.34Å; A780-A784 PolarHBondContact O-N 3.26Å; A780-I803 HydrophobicContact CB-CD1 4.07Å; A780-I803 HydrophobicContact CB-CG1 4.23Å; A780-I803 HydrophobicContact CB-CG2 3.99Å; A780-I811 HydrophobicContact CB-CD1 4.22Å
781	K	98	Very high	95.7	Very high	116 Å²	116	46.5 Å²	46.5	50%	0.504	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-45.7	174.2	-174.8	178	177.5	177.4	0	112.7	S777 K778 G779 L783 A784 E785 A810	S777-K781 PolarHBondContact O-N 2.8Å; K778-K781 WeakPolarHBondContact O-CB 3.19Å; K778-K781 PolarHBondContact O-N 3.01Å; G779-K781 VanDerWaalsContact C-N 3.27Å; G779-K781 PolarHBondContact O-N 3.29Å; K781-L783 VanDerWaalsContact C-N 3.35Å; K781-L783 PolarHBondContact O-N 3.05Å; K781-A784 WeakPolarHBondContact O-CB 3.39Å; K781-A784 PolarHBondContact O-N 3.25Å; K781-E785 WeakPolarHBondContact CE-OE1 3.44Å; K781-E785 WeakPolarHBondContact O-CG 3.38Å; K781-E785 PolarHBondContact O-N 3.29Å; K781-A810 HydrophobicContact CB-CB 4.06Å; K781-A810 HydrophobicContact CG-CB 4.14Å
782	F	97.9	Very high	95.4	Very high	53 Å²	53	44.7 Å²	44.7	23%	0.232	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-42.7	176.1	-66.9	-52.2	0	0	0	112.1	K753 S756 K778 G779 A784 E785 A786	K753-F782 HydrophobicContact CB-CB 4.44Å; K753-F782 HydrophobicContact CB-CD2 3.57Å; K753-F782 HydrophobicContact CB-CE2 3.87Å; K753-F782 HydrophobicContact CB-CG 3.95Å; K753-F782 HydrophobicContact CB-CZ 4.47Å; K753-F782 HydrophobicContact CD-CD1 4.44Å; K753-F782 HydrophobicContact CD-CD2 4.35Å; K753-F782 HydrophobicContact CD-CE1 4.01Å; K753-F782 HydrophobicContact CD-CE2 3.91Å; K753-F782 HydrophobicContact CD-CZ 3.73Å; K753-F782 HydrophobicContact CG-CD1 4.01Å; K753-F782 HydrophobicContact CG-CD2 3.92Å; K753-F782 HydrophobicContact CG-CE1 4.1Å; K753-F782 HydrophobicContact CG-CE2 4Å; K753-F782 HydrophobicContact CG-CG 3.94Å; K753-F782 HydrophobicContact CG-CZ 4.1Å; S756-F782 VanDerWaalsContact CB-O 3.24Å; S756-F782 WeakPolarHBondContact CB-O 3.29Å; K778-F782 VanDerWaalsContact O-CD2 3.3Å; K778-F782 WeakPolarHBondContact O-CD2 3.49Å; K778-F782 PolarHBondContact O-N 3.06Å; G779-F782 PolarHBondContact O-N 2.79Å; F782-A784 VanDerWaalsContact C-N 3.33Å; F782-A784 PolarHBondContact O-N 3.48Å; F782-E785 PolarHBondContact O-N 2.89Å; F782-A786 PolarHBondContact O-N 3.44Å
783	L	97.7	Very high	95.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-42	175.6	-67.2	174.1	0	0	0	111.3	A752 L759 L770 I775 G779 A780 K781 A786 L787 L798	A752-L783 HydrophobicContact CB-CD1 4.45Å; A752-L783 HydrophobicContact CB-CG 4.35Å; L759-L783 HydrophobicContact CD1-CD2 4.21Å; L770-L783 HydrophobicContact CD1-CD1 3.89Å; I775-L783 HydrophobicContact CD1-CD1 4.27Å; I775-L783 HydrophobicContact CG2-CD1 4.31Å; G779-L783 PolarHBondContact O-N 2.89Å; A780-L783 PolarHBondContact O-N 3.31Å; K781-L783 VanDerWaalsContact C-N 3.35Å; K781-L783 PolarHBondContact O-N 3.05Å; L783-A786 PolarHBondContact O-N 3.27Å; L783-L787 VanDerWaalsContact O-CG 3.28Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.09Å; L783-L798 HydrophobicContact CD1-CD2 3.79Å
784	A	96.4	Very high	95.2	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-46.7	176	0	0	0	0	0	111.8	A780 K781 F782 A786 L787 K788 A810 I811 V814	A780-A784 WeakPolarHBondContact O-CB 3.34Å; A780-A784 PolarHBondContact O-N 3.26Å; K781-A784 WeakPolarHBondContact O-CB 3.39Å; K781-A784 PolarHBondContact O-N 3.25Å; F782-A784 VanDerWaalsContact C-N 3.33Å; F782-A784 PolarHBondContact O-N 3.48Å; A784-A786 VanDerWaalsContact C-N 3.25Å; A784-A786 PolarHBondContact O-N 3.18Å; A784-L787 PolarHBondContact O-N 3.3Å; A784-L787 VanDerWaalsContact O-N 3.07Å; A784-K788 PolarHBondContact O-N 3.13Å; A784-A810 HydrophobicContact CB-CB 4.18Å; A784-A810 WeakPolarHBondContact CB-O 3.48Å; A784-I811 HydrophobicContact CB-CG1 4.36Å; A784-V814 HydrophobicContact CB-CG2 3.93Å; A784-V814 WeakPolarHBondContact O-CG2 3.37Å
785	E	93.8	Very high	95.3	Very high	97 Å²	97	43.5 Å²	43.5	45%	0.453	22%	0.218	S	C	.	.	H	α-helix	trans	-55.5	-40.7	176	-73.3	170.5	-171.3	0	0	112	K781 F782 K788	K781-E785 WeakPolarHBondContact CE-OE1 3.44Å; K781-E785 WeakPolarHBondContact O-CG 3.38Å; K781-E785 PolarHBondContact O-N 3.29Å; F782-E785 PolarHBondContact O-N 2.89Å; E785-K788 WeakPolarHBondContact O-CB 3.3Å; E785-K788 PolarHBondContact O-N 2.86Å
786	A	94.6	Very high	95.3	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-41.5	174.9	0	0	0	0	0	113.1	S756 L759 L760 F782 L783 A784 K788 M789 N790	S756-A786 VanDerWaalsContact O-CB 3.29Å; S756-A786 WeakPolarHBondContact O-CB 3.49Å; L759-A786 HydrophobicContact CB-CB 3.84Å; L760-A786 HydrophobicContact CD2-CB 4.33Å; L760-A786 HydrophobicContact CG-CB 4.43Å; F782-A786 PolarHBondContact O-N 3.44Å; L783-A786 PolarHBondContact O-N 3.27Å; A784-A786 VanDerWaalsContact C-N 3.25Å; A784-A786 PolarHBondContact O-N 3.18Å; A786-K788 PolarHBondContact O-N 3.35Å; A786-M789 PolarHBondContact O-N 3.19Å; A786-M789 VanDerWaalsContact O-N 3.15Å; A786-N790 VanDerWaalsContact O-CB 3.3Å; A786-N790 WeakPolarHBondContact O-CB 3.47Å; A786-N790 PolarHBondContact O-N 3.37Å
787	L	94.4	Very high	95.3	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-23.5	177	-68.9	174.1	0	0	0	113.1	L783 A784 M789 L793 I796 V814 N818	L783-L787 VanDerWaalsContact O-CG 3.28Å; L783-L787 WeakPolarHBondContact O-CG 3.49Å; L783-L787 PolarHBondContact O-N 3.09Å; A784-L787 PolarHBondContact O-N 3.3Å; A784-L787 VanDerWaalsContact O-N 3.07Å; L787-M789 VanDerWaalsContact C-N 3.29Å; L787-M789 PolarHBondContact O-N 3.39Å; L787-L793 HydrophobicContact CD2-CB 4.35Å; L787-L793 HydrophobicContact CD2-CD2 3.44Å; L787-L793 VanDerWaalsContact CD2-CD2 3.44Å; L787-L793 HydrophobicContact CD2-CG 4.5Å; L787-I796 HydrophobicContact CD1-CD1 4.32Å; L787-V814 HydrophobicContact CB-CG1 3.92Å; L787-N818 PolarHBondContact O-ND2 3.4Å
788	K	91.9	Very high	95.3	Very high	123 Å²	123	42.8 Å²	42.8	54%	0.535	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-37.6	175.6	-171.5	177.9	178.4	179.5	0	111.9	A784 E785 A786 V814	A784-K788 PolarHBondContact O-N 3.13Å; E785-K788 WeakPolarHBondContact O-CB 3.3Å; E785-K788 PolarHBondContact O-N 2.86Å; A786-K788 PolarHBondContact O-N 3.35Å; K788-V814 HydrophobicContact CB-CG1 3.94Å; K788-V814 HydrophobicContact CB-CG2 4.22Å
789	M	89.8	Confident	95.4	Very high	114 Å²	114	37.2 Å²	37.2	56%	0.562	18%	0.184	S	C	*	.	H	α-helix	trans	-99.6	-25.5	-177.2	-58.7	-56.7	-66.8	0	0	112.9	L760 A786 L787 Q791	L760-M789 HydrophobicContact CD2-CB 4.04Å; L760-M789 HydrophobicContact CD2-CG 4.16Å; A786-M789 PolarHBondContact O-N 3.19Å; A786-M789 VanDerWaalsContact O-N 3.15Å; L787-M789 VanDerWaalsContact C-N 3.29Å; L787-M789 PolarHBondContact O-N 3.39Å; M789-Q791 PolarHBondContact O-N 3.04Å
790	N	90.2	Very high	95.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.2	C	C	.	.			trans	-73.9	122.1	-177.7	-173.4	-69.9	0	0	0	111.3	L759 N762 A786 A792 L793	L759-N790 PolarHBondContact O-ND2 3.37Å; N762-N790 PolarHBondContact O-ND2 3.18Å; A786-N790 VanDerWaalsContact O-CB 3.3Å; A786-N790 WeakPolarHBondContact O-CB 3.47Å; A786-N790 PolarHBondContact O-N 3.37Å; N790-A792 PolarHBondContact OD1-N 3.18Å; N790-L793 WeakPolarHBondContact OD1-CB 3.35Å; N790-L793 PolarHBondContact OD1-N 2.95Å
791	Q	85.8	Confident	95.4	Very high	85 Å²	85	40.3 Å²	40.3	40%	0.397	20%	0.2	S	C	.	.	S	Bend	trans	-105.9	11.1	179.4	-60	-59.1	-27.4	0	0	114	M789 K820	M789-Q791 PolarHBondContact O-N 3.04Å; Q791-K820 HydrophobicContact CB-CG 4.38Å; Q791-K820 WeakPolarHBondContact O-CD 3.36Å; Q791-K820 WeakPolarHBondContact O-CE 3.32Å; Q791-K820 WeakPolarHBondContact O-CG 3.38Å
792	A	91.8	Very high	95.4	Very high	16 Å²	16	38.6 Å²	38.6	13%	0.132	20%	0.203	C	C	.	.	S	Bend	trans	-108.8	-32.7	-177	0	0	0	0	0	113.3	R763 L765 N790 V794	R763-A792 WeakPolarHBondContact O-CB 3.25Å; L765-A792 CarbonylContact O-C 3.34Å; N790-A792 PolarHBondContact OD1-N 3.18Å; A792-V794 PolarHBondContact O-N 2.88Å
793	L	95.8	Very high	95.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.192	C	C	.	.			trans	-77.1	120.5	-172.7	-160.7	80.1	0	0	0	111.7	L765 I768 L787 N790 I796	L765-L793 HydrophobicContact CD2-CD1 4.23Å; L765-L793 HydrophobicContact CG-CD1 4.14Å; L765-L793 WeakPolarHBondContact O-CD1 3.48Å; I768-L793 HydrophobicContact CB-CD1 4.31Å; I768-L793 HydrophobicContact CG2-CD1 4.08Å; I768-L793 HydrophobicContact CG2-CD2 3.9Å; L787-L793 HydrophobicContact CD2-CB 4.35Å; L787-L793 HydrophobicContact CD2-CD2 3.44Å; L787-L793 VanDerWaalsContact CD2-CD2 3.44Å; L787-L793 HydrophobicContact CD2-CG 4.5Å; N790-L793 WeakPolarHBondContact OD1-CB 3.35Å; N790-L793 PolarHBondContact OD1-N 2.95Å; L793-I796 HydrophobicContact CD2-CB 4.16Å; L793-I796 HydrophobicContact CD2-CD1 4.43Å
794	V	97.3	Very high	95.3	Very high	58 Å²	58	36.5 Å²	36.5	35%	0.352	20%	0.196	S	C	.	.			trans	-102.8	-30.3	-177.1	178.8	0	0	0	0	111.7	T766 A792 L821 V822 S823	T766-V794 PolarHBondContact O-N 3.41Å; A792-V794 PolarHBondContact O-N 2.88Å; V794-L821 WeakPolarHBondContact O-CD1 3.47Å; V794-V822 HydrophobicContact CG1-CB 3.74Å; V794-V822 HydrophobicContact CG1-CG2 3.75Å; V794-V822 PolarHBondContact O-N 2.98Å; V794-S823 PolarHBondContact O-N 3.43Å; V794-S823 VanDerWaalsContact O-N 3.16Å
795	S	98.2	Very high	95.4	Very high	38 Å²	38	40.8 Å²	40.8	27%	0.266	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.2	-177	-179.8	0	0	0	0	112.5	T766 A767 I768 S823	T766-S795 PolarHBondContact O-N 3.17Å; A767-S795 VanDerWaalsContact CA-O 3.3Å; A767-S795 WeakPolarHBondContact CA-O 3.41Å; I768-S795 PolarHBondContact N-O 3.22Å; I768-S795 VanDerWaalsContact N-O 3.09Å; S795-S823 WeakPolarHBondContact CA-O 3.43Å
796	I	98.2	Very high	95.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.1	173.2	-170	167.3	0	0	0	111	I768 L787 L793 L798 L821 S823 L824 N825	I768-I796 HydrophobicContact CG2-CB 4.2Å; I768-I796 HydrophobicContact CG2-CD1 4.02Å; I768-I796 HydrophobicContact CG2-CG1 3.66Å; I768-I796 WeakPolarHBondContact O-CA 3.27Å; L787-I796 HydrophobicContact CD1-CD1 4.32Å; L793-I796 HydrophobicContact CD2-CB 4.16Å; L793-I796 HydrophobicContact CD2-CD1 4.43Å; I796-L798 HydrophobicContact CD1-CD1 4.21Å; I796-L798 HydrophobicContact CD1-CD2 4.07Å; I796-L798 HydrophobicContact CD1-CG 4.15Å; I796-L798 HydrophobicContact CG1-CD1 4.46Å; I796-L798 HydrophobicContact CG1-CD2 4.18Å; I796-L798 HydrophobicContact CG1-CG 4.01Å; I796-L821 HydrophobicContact CB-CD1 4.43Å; I796-L821 HydrophobicContact CG2-CD1 3.97Å; I796-L821 HydrophobicContact CG2-CD2 4.1Å; I796-S823 PolarHBondContact N-O 2.79Å; I796-S823 VanDerWaalsContact N-O 3.1Å; I796-L824 HydrophobicContact CG2-CD1 3.45Å; I796-L824 VanDerWaalsContact CG2-CD1 3.45Å; I796-N825 PolarHBondContact O-N 2.95Å
797	N	98.6	Very high	95.6	Very high	28 Å²	28	43.2 Å²	43.2	15%	0.15	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.9	173.8	-175.7	2.9	0	0	0	110.9	I768 N769 L770 Q799 N825	I768-N797 PolarHBondContact O-N 3.14Å; N769-N797 HydrophobicContact CB-CB 4.38Å; N769-N797 WeakPolarHBondContact OD1-CB 3.22Å; N769-N797 PolarHBondContact OD1-ND2 3.3Å; L770-N797 CarbonylContact C-O 3.55Å; L770-N797 WeakPolarHBondContact CA-O 3.42Å; L770-N797 WeakPolarHBondContact CB-O 3.48Å; L770-N797 PolarHBondContact N-O 3.5Å; N797-Q799 WeakPolarHBondContact OD1-CB 3.45Å; N797-Q799 PolarHBondContact OD1-N 3.49Å; N797-N825 HydrophobicContact CB-CB 4.28Å; N797-N825 PolarHBondContact OD1-ND2 3.44Å; N797-N825 VanDerWaalsContact OD1-ND2 3.14Å
798	L	98.4	Very high	95.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.224	C	C	.	.			trans	-114.6	23.4	179.1	-61.2	172.2	0	0	0	111.6	L770 I775 L783 I796 N800 N801 I803 I811 N825 M826 N829	L770-L798 HydrophobicContact CB-CD2 4.24Å; L770-L798 HydrophobicContact CD1-CD2 3.93Å; I775-L798 HydrophobicContact CD1-CD2 4.2Å; L783-L798 HydrophobicContact CD1-CD2 3.79Å; I796-L798 HydrophobicContact CD1-CD1 4.21Å; I796-L798 HydrophobicContact CD1-CD2 4.07Å; I796-L798 HydrophobicContact CD1-CG 4.15Å; I796-L798 HydrophobicContact CG1-CD1 4.46Å; I796-L798 HydrophobicContact CG1-CD2 4.18Å; I796-L798 HydrophobicContact CG1-CG 4.01Å; L798-N800 PolarHBondContact O-N 3.19Å; L798-N801 VanDerWaalsContact C-ND2 3.35Å; L798-N801 PolarHBondContact O-ND2 2.94Å; L798-I803 HydrophobicContact CB-CD1 3.77Å; L798-I803 HydrophobicContact CD1-CD1 3.94Å; L798-I803 HydrophobicContact CG-CD1 4.29Å; L798-I811 HydrophobicContact CD1-CD1 3.61Å; L798-N825 WeakPolarHBondContact CA-O 3.49Å; L798-N825 PolarHBondContact N-O 3.23Å; L798-M826 HydrophobicContact CB-CG 4.42Å; L798-N829 PolarHBondContact O-ND2 3.05Å
799	Q	98.4	Very high	96.1	Very high	31 Å²	31	40.1 Å²	40.1	15%	0.145	22%	0.215	C	C	.	.			trans	-55	136.2	-179.7	170.6	177.2	-23.1	0	0	111.5	K771 N772 N797 N801 R827	K771-Q799 CarbonylContact C-O 3.34Å; K771-Q799 VanDerWaalsContact CA-O 3.25Å; K771-Q799 WeakPolarHBondContact CA-O 3.3Å; K771-Q799 HydrophobicContact CB-CB 4.23Å; K771-Q799 HydrophobicContact CD-CG 4.46Å; K771-Q799 HydrophobicContact CG-CB 4.16Å; K771-Q799 HydrophobicContact CG-CG 4.19Å; N772-Q799 PolarHBondContact N-O 3.18Å; N797-Q799 WeakPolarHBondContact OD1-CB 3.45Å; N797-Q799 PolarHBondContact OD1-N 3.49Å; Q799-N801 PolarHBondContact O-ND2 3Å; Q799-R827 CarbonylContact C-O 3.59Å; Q799-R827 WeakPolarHBondContact CA-O 3.49Å; Q799-R827 HydrophobicContact CB-CB 4.29Å; Q799-R827 HydrophobicContact CG-CB 3.95Å; Q799-R827 HydrophobicContact CG-CG 4.12Å; Q799-R827 WeakPolarHBondContact CG-O 3.13Å
800	N	98.2	Very high	96.5	Very high	65 Å²	65	35.5 Å²	35.5	35%	0.348	19%	0.194	S	C	.	.	S	Bend	trans	52.3	64.1	174	-167.4	37.9	0	0	0	113.1	N772 N773 L798 R827 K828	N772-N800 VanDerWaalsContact CA-O 3.31Å; N772-N800 WeakPolarHBondContact CA-O 3.45Å; N772-N800 PolarHBondContact N-O 3Å; N772-N800 WeakPolarHBondContact OD1-CB 3.34Å; N772-N800 PolarHBondContact OD1-ND2 3.11Å; N773-N800 PolarHBondContact N-O 3.06Å; L798-N800 PolarHBondContact O-N 3.19Å; N800-R827 PolarHBondContact N-O 3.19Å; N800-K828 VanDerWaalsContact CA-O 3.25Å; N800-K828 WeakPolarHBondContact CA-O 3.3Å; N800-K828 HydrophobicContact CB-CB 4.04Å
801	N	98.2	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-126.8	11.3	-178.1	-91.1	-80	0	0	0	113.6	L770 N773 I775 G776 L798 Q799 I803 N829	L770-N801 PolarHBondContact O-ND2 3.47Å; N773-N801 VanDerWaalsContact C-OD1 3.29Å; N773-N801 WeakPolarHBondContact CB-OD1 3.26Å; N773-N801 WeakPolarHBondContact O-CA 3.47Å; N773-N801 PolarHBondContact O-OD1 3.16Å; I775-N801 HydrophobicContact CB-CB 4.2Å; I775-N801 WeakPolarHBondContact CB-OD1 3.39Å; I775-N801 VanDerWaalsContact CD1-OD1 3.28Å; I775-N801 WeakPolarHBondContact CD1-OD1 3.5Å; I775-N801 WeakPolarHBondContact CG1-OD1 3.45Å; I775-N801 PolarHBondContact N-OD1 3.15Å; G776-N801 WeakPolarHBondContact CA-O 3.38Å; G776-N801 PolarHBondContact N-O 3.39Å; L798-N801 VanDerWaalsContact C-ND2 3.35Å; L798-N801 PolarHBondContact O-ND2 2.94Å; Q799-N801 PolarHBondContact O-ND2 3Å; N801-I803 HydrophobicContact CB-CD1 3.98Å; N801-I803 HydrophobicContact CB-CG1 3.87Å; N801-I803 PolarHBondContact O-N 3.03Å; N801-N829 WeakPolarHBondContact CA-OD1 3.47Å; N801-N829 PolarHBondContact N-OD1 2.56Å
802	S	97.4	Very high	97.3	Very high	79 Å²	79	31.7 Å²	31.7	55%	0.552	18%	0.177	S	C	*	.			trans	53.3	37.5	-175.9	-53.9	0	0	0	0	113.3	G804 N829	S802-G804 PolarHBondContact O-N 3.43Å; S802-N829 PolarHBondContact N-OD1 2.79Å; S802-N829 VanDerWaalsContact N-OD1 3.07Å
803	I	97.8	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.			trans	-78.5	117	177.5	-59.5	174.5	0	0	0	109	A780 L798 N801 N829 T830 I831	A780-I803 HydrophobicContact CB-CD1 4.07Å; A780-I803 HydrophobicContact CB-CG1 4.23Å; A780-I803 HydrophobicContact CB-CG2 3.99Å; L798-I803 HydrophobicContact CB-CD1 3.77Å; L798-I803 HydrophobicContact CD1-CD1 3.94Å; L798-I803 HydrophobicContact CG-CD1 4.29Å; N801-I803 HydrophobicContact CB-CD1 3.98Å; N801-I803 HydrophobicContact CB-CG1 3.87Å; N801-I803 PolarHBondContact O-N 3.03Å; I803-N829 HydrophobicContact CB-CB 4.15Å; I803-N829 PolarHBondContact N-OD1 3.06Å; I803-N829 WeakPolarHBondContact O-CB 3.38Å; I803-T830 CarbonylContact O-C 3.17Å; I803-T830 PolarHBondContact O-N 2.87Å; I803-T830 PolarHBondContact O-OG1 2.67Å; I803-I831 PolarHBondContact O-N 3.28Å
804	G	96.8	Very high	97.4	Very high	11 Å²	11	35.3 Å²	35.3	11%	0.113	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-88.3	-172	177.3	0	0	0	0	0	113.7	S777 S802 E806 G807 A808 T830	S777-G804 WeakPolarHBondContact OG-CA 3.27Å; S777-G804 PolarHBondContact OG-N 3.09Å; S802-G804 PolarHBondContact O-N 3.43Å; G804-E806 VanDerWaalsContact C-N 3.33Å; G804-E806 PolarHBondContact O-N 3.08Å; G804-G807 PolarHBondContact O-N 3.44Å; G804-G807 VanDerWaalsContact O-N 3.13Å; G804-A808 PolarHBondContact O-N 2.94Å; G804-A808 VanDerWaalsContact O-N 3.09Å; G804-T830 WeakPolarHBondContact CA-O 3.19Å
805	E	97.1	Very high	97.2	Very high	92 Å²	92	32.7 Å²	32.7	43%	0.43	18%	0.178	S	C	.	.	H	α-helix	trans	-56.2	-42.5	-178.4	-46.2	-148.6	131.4	0	0	113	G807 A808 Q809 I831 G832 A833 G834	E805-G807 VanDerWaalsContact C-N 3.33Å; E805-G807 PolarHBondContact O-N 3.46Å; E805-A808 PolarHBondContact O-N 2.89Å; E805-Q809 PolarHBondContact O-N 2.87Å; E805-I831 WeakPolarHBondContact CA-O 3.45Å; E805-I831 VanDerWaalsContact CG-O 3.28Å; E805-I831 WeakPolarHBondContact CG-O 3.44Å; E805-G832 WeakPolarHBondContact OE1-CA 3.47Å; E805-A833 PolarHBondContact OE1-N 3.31Å; E805-G834 WeakPolarHBondContact OE1-CA 3.09Å; E805-G834 PolarHBondContact OE1-N 2.81Å
806	E	97	Very high	96.9	Very high	150 Å²	150	34.8 Å²	34.8	70%	0.701	18%	0.184	S	C	*	.	H	α-helix	trans	-61.6	-39.2	178.7	-65.6	-177.5	172.3	0	0	112.8	G804 Q809 A810	G804-E806 VanDerWaalsContact C-N 3.33Å; G804-E806 PolarHBondContact O-N 3.08Å; E806-Q809 PolarHBondContact O-N 2.91Å; E806-A810 PolarHBondContact O-N 3.37Å
807	G	97.4	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.9	-38.8	178.3	0	0	0	0	0	111.6	G804 E805 Q809 A810 I811	G804-G807 PolarHBondContact O-N 3.44Å; G804-G807 VanDerWaalsContact O-N 3.13Å; E805-G807 VanDerWaalsContact C-N 3.33Å; E805-G807 PolarHBondContact O-N 3.46Å; G807-Q809 VanDerWaalsContact C-N 3.34Å; G807-A810 PolarHBondContact O-N 3.41Å; G807-I811 WeakPolarHBondContact O-CG1 3.41Å; G807-I811 PolarHBondContact O-N 2.77Å; G807-I811 VanDerWaalsContact O-N 3.15Å
808	A	97.9	Very high	96.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-39.5	173	0	0	0	0	0	112.1	G804 E805 I811 A812 I831 I839	G804-A808 PolarHBondContact O-N 2.94Å; G804-A808 VanDerWaalsContact O-N 3.09Å; E805-A808 PolarHBondContact O-N 2.89Å; A808-I811 PolarHBondContact O-N 3.4Å; A808-A812 WeakPolarHBondContact O-CB 3.13Å; A808-A812 PolarHBondContact O-N 2.93Å; A808-I831 HydrophobicContact CB-CB 4.39Å; A808-I831 HydrophobicContact CB-CG1 4.19Å; A808-I831 HydrophobicContact CB-CG2 3.72Å; A808-I839 HydrophobicContact CB-CD1 4.22Å
809	Q	97.8	Very high	95.8	Very high	70 Å²	70	42.6 Å²	42.6	33%	0.327	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-48.4	173.1	-180	175.6	-21.5	0	0	111.3	E805 E806 G807 I811 A812 D813 R838	E805-Q809 PolarHBondContact O-N 2.87Å; E806-Q809 PolarHBondContact O-N 2.91Å; G807-Q809 VanDerWaalsContact C-N 3.34Å; Q809-I811 VanDerWaalsContact C-N 3.3Å; Q809-I811 PolarHBondContact O-N 3.18Å; Q809-A812 WeakPolarHBondContact O-CB 3.39Å; Q809-A812 PolarHBondContact O-N 3Å; Q809-A812 VanDerWaalsContact O-N 3.07Å; Q809-D813 VanDerWaalsContact O-CG 3.3Å; Q809-D813 PolarHBondContact O-N 3.41Å; Q809-R838 HydrophobicContact CB-CB 4.32Å; Q809-R838 HydrophobicContact CB-CG 3.98Å; Q809-R838 HydrophobicContact CG-CB 4.41Å; Q809-R838 HydrophobicContact CG-CG 3.88Å
810	A	97.7	Very high	95.6	Very high	16 Å²	16	45.9 Å²	45.9	13%	0.132	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-41.3	179.8	0	0	0	0	0	112.5	K781 A784 E806 G807	K781-A810 HydrophobicContact CB-CB 4.06Å; K781-A810 HydrophobicContact CG-CB 4.14Å; A784-A810 HydrophobicContact CB-CB 4.18Å; A784-A810 WeakPolarHBondContact CB-O 3.48Å; E806-A810 PolarHBondContact O-N 3.37Å; G807-A810 PolarHBondContact O-N 3.41Å
811	I	97.4	Very high	95.4	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-43.9	174.8	-66.3	169.5	0	0	0	110.3	A780 A784 L798 G807 A808 Q809 D813 V814 L815 L824 M826	A780-I811 HydrophobicContact CB-CD1 4.22Å; A784-I811 HydrophobicContact CB-CG1 4.36Å; L798-I811 HydrophobicContact CD1-CD1 3.61Å; G807-I811 WeakPolarHBondContact O-CG1 3.41Å; G807-I811 PolarHBondContact O-N 2.77Å; G807-I811 VanDerWaalsContact O-N 3.15Å; A808-I811 PolarHBondContact O-N 3.4Å; Q809-I811 VanDerWaalsContact C-N 3.3Å; Q809-I811 PolarHBondContact O-N 3.18Å; I811-D813 PolarHBondContact O-N 3.34Å; I811-V814 PolarHBondContact O-N 2.96Å; I811-L815 HydrophobicContact CG2-CD1 4.22Å; I811-L815 HydrophobicContact CG2-CG 4.33Å; I811-L815 WeakPolarHBondContact O-CG 3.22Å; I811-L815 PolarHBondContact O-N 3.49Å; I811-L824 HydrophobicContact CG2-CD2 3.87Å; I811-M826 HydrophobicContact CD1-SD 3.68Å; I811-M826 HydrophobicContact CG2-SD 4.48Å
812	A	97	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-43.9	179.5	0	0	0	0	0	113	A808 Q809 V814 L815 Q816 R838 I839 A842	A808-A812 WeakPolarHBondContact O-CB 3.13Å; A808-A812 PolarHBondContact O-N 2.93Å; Q809-A812 WeakPolarHBondContact O-CB 3.39Å; Q809-A812 PolarHBondContact O-N 3Å; Q809-A812 VanDerWaalsContact O-N 3.07Å; A812-V814 PolarHBondContact O-N 2.88Å; A812-L815 PolarHBondContact O-N 2.63Å; A812-L815 VanDerWaalsContact O-N 3.14Å; A812-Q816 PolarHBondContact O-N 3.2Å; A812-R838 VanDerWaalsContact CB-C 3.47Å; A812-R838 HydrophobicContact CB-CB 3.9Å; A812-R838 WeakPolarHBondContact CB-O 3.37Å; A812-I839 HydrophobicContact CB-CG1 4.15Å; A812-A842 HydrophobicContact CB-CB 4.13Å; A812-A842 WeakPolarHBondContact O-CB 3.5Å
813	D	95.3	Very high	95.5	Very high	77 Å²	77	42.8 Å²	42.8	41%	0.412	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-35.3	178.7	-67.1	-19	0	0	0	111.4	Q809 I811	Q809-D813 VanDerWaalsContact O-CG 3.3Å; Q809-D813 PolarHBondContact O-N 3.41Å; I811-D813 PolarHBondContact O-N 3.34Å
814	V	93.6	Very high	95.5	Very high	15 Å²	15	42.8 Å²	42.8	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-81.6	-31.5	179.7	175.4	0	0	0	0	112.8	A784 L787 K788 I811 A812 Q816 S817 N818	A784-V814 HydrophobicContact CB-CG2 3.93Å; A784-V814 WeakPolarHBondContact O-CG2 3.37Å; L787-V814 HydrophobicContact CB-CG1 3.92Å; K788-V814 HydrophobicContact CB-CG1 3.94Å; K788-V814 HydrophobicContact CB-CG2 4.22Å; I811-V814 PolarHBondContact O-N 2.96Å; A812-V814 PolarHBondContact O-N 2.88Å; V814-Q816 PolarHBondContact O-N 3Å; V814-Q816 VanDerWaalsContact O-N 3.17Å; V814-S817 PolarHBondContact O-N 3.39Å; V814-S817 VanDerWaalsContact O-N 3.13Å; V814-S817 PolarHBondContact O-OG 3.15Å; V814-N818 HydrophobicContact CG1-CB 4.34Å; V814-N818 WeakPolarHBondContact O-CB 3.34Å; V814-N818 PolarHBondContact O-N 3.43Å
815	L	93.9	Very high	95.6	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-24.1	174.8	-72.7	175.4	0	0	0	112.8	I811 A812 S817 L821 L824 A842 N846	I811-L815 HydrophobicContact CG2-CD1 4.22Å; I811-L815 HydrophobicContact CG2-CG 4.33Å; I811-L815 WeakPolarHBondContact O-CG 3.22Å; I811-L815 PolarHBondContact O-N 3.49Å; A812-L815 PolarHBondContact O-N 2.63Å; A812-L815 VanDerWaalsContact O-N 3.14Å; L815-S817 VanDerWaalsContact C-N 3.33Å; L815-S817 PolarHBondContact O-N 3.07Å; L815-L821 HydrophobicContact CD2-CD2 3.78Å; L815-L824 HydrophobicContact CD1-CD2 3.96Å; L815-A842 HydrophobicContact CB-CB 3.99Å; L815-N846 PolarHBondContact O-ND2 3.12Å
816	Q	90.9	Very high	95.6	Very high	82 Å²	82	38.8 Å²	38.8	38%	0.383	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-37.1	176.3	-64.6	178.4	22.6	0	0	112.7	A812 V814 A842	A812-Q816 PolarHBondContact O-N 3.2Å; V814-Q816 PolarHBondContact O-N 3Å; V814-Q816 VanDerWaalsContact O-N 3.17Å; Q816-A842 HydrophobicContact CG-CB 3.8Å
817	S	89.5	Confident	95.7	Very high	60 Å²	60	34.7 Å²	34.7	42%	0.42	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-26.7	-177.6	58.6	0	0	0	0	113.8	V814 L815 R819	V814-S817 PolarHBondContact O-N 3.39Å; V814-S817 VanDerWaalsContact O-N 3.13Å; V814-S817 PolarHBondContact O-OG 3.15Å; L815-S817 VanDerWaalsContact C-N 3.33Å; L815-S817 PolarHBondContact O-N 3.07Å; S817-R819 WeakPolarHBondContact O-CG 3.21Å; S817-R819 PolarHBondContact O-N 2.82Å
818	N	90.9	Very high	95.7	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	19%	0.193	C	C	.	.			trans	-67.2	131	-178.6	-175.2	-72.8	0	0	0	110.9	L787 V814 K820 L821 N846	L787-N818 PolarHBondContact O-ND2 3.4Å; V814-N818 HydrophobicContact CG1-CB 4.34Å; V814-N818 WeakPolarHBondContact O-CB 3.34Å; V814-N818 PolarHBondContact O-N 3.43Å; N818-K820 PolarHBondContact OD1-N 2.97Å; N818-L821 WeakPolarHBondContact OD1-CB 3.44Å; N818-L821 PolarHBondContact OD1-N 2.77Å; N818-N846 PolarHBondContact O-ND2 2.92Å
819	R	90.8	Very high	95.7	Very high	133 Å²	133	39.8 Å²	39.8	50%	0.502	20%	0.195	S	C	.	.	S	Bend	trans	-116	18.6	-177	-55	-56.8	-173.5	-165.2	0.6	113.6	S817 T848	S817-R819 WeakPolarHBondContact O-CG 3.21Å; S817-R819 PolarHBondContact O-N 2.82Å; R819-T848 HydrophobicContact CB-CG2 4.42Å; R819-T848 WeakPolarHBondContact O-CG2 3.4Å
820	K	94.1	Very high	95.5	Very high	100 Å²	100	39.8 Å²	39.8	44%	0.435	20%	0.199	S	C	.	.	S	Bend	trans	-128.7	-30.2	-174.4	-67	-71.2	-171.4	-179.5	0	113.8	Q791 N818 V822	Q791-K820 HydrophobicContact CB-CG 4.38Å; Q791-K820 WeakPolarHBondContact O-CD 3.36Å; Q791-K820 WeakPolarHBondContact O-CE 3.32Å; Q791-K820 WeakPolarHBondContact O-CG 3.38Å; N818-K820 PolarHBondContact OD1-N 2.97Å; K820-V822 PolarHBondContact O-N 3.14Å
821	L	95.8	Very high	95.5	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.			trans	-70.1	123.6	-179.2	-161.6	75.6	0	0	0	110.3	V794 I796 L815 N818 L824 T848 L849	V794-L821 WeakPolarHBondContact O-CD1 3.47Å; I796-L821 HydrophobicContact CB-CD1 4.43Å; I796-L821 HydrophobicContact CG2-CD1 3.97Å; I796-L821 HydrophobicContact CG2-CD2 4.1Å; L815-L821 HydrophobicContact CD2-CD2 3.78Å; N818-L821 WeakPolarHBondContact OD1-CB 3.44Å; N818-L821 PolarHBondContact OD1-N 2.77Å; L821-L824 HydrophobicContact CD2-CB 4.27Å; L821-T848 CarbonylContact O-C 3.58Å; L821-T848 PolarHBondContact O-OG1 3.12Å; L821-L849 HydrophobicContact CD2-CD1 4.31Å; L821-L849 HydrophobicContact CG-CD1 4.33Å; L821-L849 PolarHBondContact O-N 3.24Å
822	V	97.9	Very high	95.5	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.315	20%	0.196	S	C	.	.			trans	-109.9	-33.4	-178.1	175.2	0	0	0	0	111.3	V794 K820 L849 T850 K851	V794-V822 HydrophobicContact CG1-CB 3.74Å; V794-V822 HydrophobicContact CG1-CG2 3.75Å; V794-V822 PolarHBondContact O-N 2.98Å; K820-V822 PolarHBondContact O-N 3.14Å; V822-L849 WeakPolarHBondContact O-CD1 3.18Å; V822-T850 HydrophobicContact CG1-CG2 4.13Å; V822-T850 WeakPolarHBondContact CG1-OG1 3.26Å; V822-T850 PolarHBondContact O-N 3.44Å; V822-T850 PolarHBondContact O-OG1 2.82Å; V822-K851 PolarHBondContact O-N 3.04Å; V822-K851 VanDerWaalsContact O-N 3.1Å
823	S	98.3	Very high	95.5	Very high	25 Å²	25	40.7 Å²	40.7	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.9	-177.6	174.6	0	0	0	0	112.1	V794 S795 I796	V794-S823 PolarHBondContact O-N 3.43Å; V794-S823 VanDerWaalsContact O-N 3.16Å; S795-S823 WeakPolarHBondContact CA-O 3.43Å; I796-S823 PolarHBondContact N-O 2.79Å; I796-S823 VanDerWaalsContact N-O 3.1Å
824	L	98.3	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.1	176.6	176	58.6	0	0	0	110.2	I796 I811 L815 L821 M826 L849 K851 L852 I853	I796-L824 HydrophobicContact CG2-CD1 3.45Å; I796-L824 VanDerWaalsContact CG2-CD1 3.45Å; I811-L824 HydrophobicContact CG2-CD2 3.87Å; L815-L824 HydrophobicContact CD1-CD2 3.96Å; L821-L824 HydrophobicContact CD2-CB 4.27Å; L824-M826 HydrophobicContact CD1-CG 3.73Å; L824-M826 HydrophobicContact CD1-SD 4.09Å; L824-M826 HydrophobicContact CD2-CE 3.75Å; L824-M826 HydrophobicContact CD2-CG 4.45Å; L824-M826 HydrophobicContact CD2-SD 4.09Å; L824-M826 HydrophobicContact CG-CE 4.18Å; L824-M826 HydrophobicContact CG-CG 3.96Å; L824-M826 HydrophobicContact CG-SD 4.24Å; L824-L849 HydrophobicContact CB-CD1 3.88Å; L824-L849 HydrophobicContact CB-CD2 4.45Å; L824-K851 PolarHBondContact N-O 3.03Å; L824-L852 HydrophobicContact CB-CD1 4.3Å; L824-L852 HydrophobicContact CD2-CD1 4.13Å; L824-L852 HydrophobicContact CG-CD1 4.24Å; L824-I853 PolarHBondContact O-N 3.19Å
825	N	98.6	Very high	95.7	Very high	18 Å²	18	37.6 Å²	37.6	10%	0.096	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.9	172.8	-177.1	1.2	0	0	0	111	I796 N797 L798 R827 I853	I796-N825 PolarHBondContact O-N 2.95Å; N797-N825 HydrophobicContact CB-CB 4.28Å; N797-N825 PolarHBondContact OD1-ND2 3.44Å; N797-N825 VanDerWaalsContact OD1-ND2 3.14Å; L798-N825 WeakPolarHBondContact CA-O 3.49Å; L798-N825 PolarHBondContact N-O 3.23Å; N825-R827 VanDerWaalsContact OD1-CB 3.27Å; N825-R827 WeakPolarHBondContact OD1-CB 3.46Å; N825-R827 PolarHBondContact OD1-N 2.84Å; N825-I853 HydrophobicContact CB-CB 4.22Å; N825-I853 HydrophobicContact CB-CD1 4.01Å; N825-I853 HydrophobicContact CB-CG1 4.41Å
826	M	97.9	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.			trans	-127.7	30	174.8	-56.3	-172.5	-67.5	0	0	111.8	L798 I811 L824 N829 I831 I839 I853 L854 N857	L798-M826 HydrophobicContact CB-CG 4.42Å; I811-M826 HydrophobicContact CD1-SD 3.68Å; I811-M826 HydrophobicContact CG2-SD 4.48Å; L824-M826 HydrophobicContact CD1-CG 3.73Å; L824-M826 HydrophobicContact CD1-SD 4.09Å; L824-M826 HydrophobicContact CD2-CE 3.75Å; L824-M826 HydrophobicContact CD2-CG 4.45Å; L824-M826 HydrophobicContact CD2-SD 4.09Å; L824-M826 HydrophobicContact CG-CE 4.18Å; L824-M826 HydrophobicContact CG-CG 3.96Å; L824-M826 HydrophobicContact CG-SD 4.24Å; M826-N829 VanDerWaalsContact C-ND2 3.35Å; M826-N829 PolarHBondContact O-ND2 3.24Å; M826-I831 HydrophobicContact CB-CD1 3.77Å; M826-I831 HydrophobicContact CE-CD1 3.91Å; M826-I831 HydrophobicContact SD-CD1 4.31Å; M826-I839 HydrophobicContact CE-CD1 3.42Å; M826-I839 VanDerWaalsContact CE-CD1 3.42Å; M826-I839 HydrophobicContact CE-CG1 4.34Å; M826-I853 PolarHBondContact N-O 3.36Å; M826-L854 HydrophobicContact CB-CD2 4.28Å; M826-L854 HydrophobicContact CE-CD2 3.58Å; M826-N857 PolarHBondContact O-ND2 3.14Å; M826-N857 PolarHBondContact O-OD1 2.95Å
827	R	97.9	Very high	96.3	Very high	64 Å²	64	39.1 Å²	39.1	24%	0.242	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	148.2	176.9	170.3	167.5	-169.3	151.8	6.7	112.6	Q799 N800 N825 N829 I853 C855	Q799-R827 CarbonylContact C-O 3.59Å; Q799-R827 WeakPolarHBondContact CA-O 3.49Å; Q799-R827 HydrophobicContact CB-CB 4.29Å; Q799-R827 HydrophobicContact CG-CB 3.95Å; Q799-R827 HydrophobicContact CG-CG 4.12Å; Q799-R827 WeakPolarHBondContact CG-O 3.13Å; N800-R827 PolarHBondContact N-O 3.19Å; N825-R827 VanDerWaalsContact OD1-CB 3.27Å; N825-R827 WeakPolarHBondContact OD1-CB 3.46Å; N825-R827 PolarHBondContact OD1-N 2.84Å; R827-N829 PolarHBondContact O-N 2.93Å; R827-N829 PolarHBondContact O-ND2 2.99Å; R827-I853 HydrophobicContact CB-CG2 4.08Å; R827-C855 CarbonylContact C-O 3.4Å; R827-C855 VanDerWaalsContact CA-O 3.24Å; R827-C855 WeakPolarHBondContact CA-O 3.45Å; R827-C855 HydrophobicContact CB-CB 4.39Å; R827-C855 HydrophobicContact CG-CB 3.93Å
828	K	97.4	Very high	96.7	Very high	103 Å²	103	40.6 Å²	40.6	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	42.6	174.3	-72.1	-177	175.4	-167.4	0	113.1	N800 C855 S856	N800-K828 VanDerWaalsContact CA-O 3.25Å; N800-K828 WeakPolarHBondContact CA-O 3.3Å; N800-K828 HydrophobicContact CB-CB 4.04Å; K828-C855 PolarHBondContact N-O 2.94Å; K828-S856 VanDerWaalsContact CA-O 3.28Å; K828-S856 WeakPolarHBondContact CA-O 3.37Å
829	N	97.9	Very high	97	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.027	20%	0.199	C	C	.	.	S	Bend	trans	-112.3	-172.7	170.8	-75.2	-70.8	0	0	0	109.8	L798 N801 S802 I803 M826 R827 I831 N857	L798-N829 PolarHBondContact O-ND2 3.05Å; N801-N829 WeakPolarHBondContact CA-OD1 3.47Å; N801-N829 PolarHBondContact N-OD1 2.56Å; S802-N829 PolarHBondContact N-OD1 2.79Å; S802-N829 VanDerWaalsContact N-OD1 3.07Å; I803-N829 HydrophobicContact CB-CB 4.15Å; I803-N829 PolarHBondContact N-OD1 3.06Å; I803-N829 WeakPolarHBondContact O-CB 3.38Å; M826-N829 VanDerWaalsContact C-ND2 3.35Å; M826-N829 PolarHBondContact O-ND2 3.24Å; R827-N829 PolarHBondContact O-N 2.93Å; R827-N829 PolarHBondContact O-ND2 2.99Å; N829-I831 HydrophobicContact CB-CD1 4.48Å; N829-I831 HydrophobicContact CB-CG1 4.08Å; N829-N857 WeakPolarHBondContact CA-OD1 3.5Å; N829-N857 WeakPolarHBondContact CB-OD1 3.35Å; N829-N857 PolarHBondContact N-OD1 2.93Å; N829-N857 WeakPolarHBondContact O-CA 3.25Å; N829-N857 PolarHBondContact O-OD1 3.47Å; N829-N857 VanDerWaalsContact O-OD1 3.07Å
830	T	95.4	Very high	97.4	Very high	70 Å²	70	34.3 Å²	34.3	43%	0.429	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-114	43.7	-179.5	49.6	0	0	0	0	110.7	I803 G804 G832	I803-T830 CarbonylContact O-C 3.17Å; I803-T830 PolarHBondContact O-N 2.87Å; I803-T830 PolarHBondContact O-OG1 2.67Å; G804-T830 WeakPolarHBondContact CA-O 3.19Å; T830-G832 VanDerWaalsContact C-N 3.29Å; T830-G832 PolarHBondContact O-N 3.1Å
831	I	97	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.			trans	-61.4	-35.1	-171.7	-66.9	174.3	0	0	0	112.9	I803 E805 A808 M826 N829 G835 I839 L854 N857 L859	I803-I831 PolarHBondContact O-N 3.28Å; E805-I831 WeakPolarHBondContact CA-O 3.45Å; E805-I831 VanDerWaalsContact CG-O 3.28Å; E805-I831 WeakPolarHBondContact CG-O 3.44Å; A808-I831 HydrophobicContact CB-CB 4.39Å; A808-I831 HydrophobicContact CB-CG1 4.19Å; A808-I831 HydrophobicContact CB-CG2 3.72Å; M826-I831 HydrophobicContact CB-CD1 3.77Å; M826-I831 HydrophobicContact CE-CD1 3.91Å; M826-I831 HydrophobicContact SD-CD1 4.31Å; N829-I831 HydrophobicContact CB-CD1 4.48Å; N829-I831 HydrophobicContact CB-CG1 4.08Å; I831-G835 WeakPolarHBondContact O-CA 3.26Å; I831-G835 PolarHBondContact O-N 2.8Å; I831-I839 HydrophobicContact CG2-CD1 4.19Å; I831-L854 HydrophobicContact CD1-CD2 3.62Å; I831-N857 HydrophobicContact CB-CB 4.13Å; I831-N857 HydrophobicContact CD1-CB 4.36Å; I831-N857 VanDerWaalsContact CD1-OD1 3.27Å; I831-N857 WeakPolarHBondContact CD1-OD1 3.26Å; I831-N857 HydrophobicContact CG1-CB 4.47Å; I831-N857 WeakPolarHBondContact CG1-OD1 3.47Å; I831-L859 HydrophobicContact CB-CD2 4.21Å; I831-L859 HydrophobicContact CG2-CD2 4Å
832	G	97.1	Very high	97.6	Very high	10 Å²	10	32.7 Å²	32.7	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	64.5	-179.8	178.6	0	0	0	0	0	114.5	E805 T830 A836 N857 L859	E805-G832 WeakPolarHBondContact OE1-CA 3.47Å; T830-G832 VanDerWaalsContact C-N 3.29Å; T830-G832 PolarHBondContact O-N 3.1Å; G832-A836 PolarHBondContact O-N 3.15Å; G832-N857 PolarHBondContact N-O 3.39Å; G832-N857 VanDerWaalsContact N-O 3.12Å; G832-L859 WeakPolarHBondContact O-CD2 3.45Å
833	A	97.1	Very high	97.5	Very high	31 Å²	31	30.3 Å²	30.3	26%	0.256	16%	0.156	S	C	.	.	H	α-helix	trans	-69.1	-35.9	-179.9	0	0	0	0	0	112.4	E805 K837 L859 K862	E805-A833 PolarHBondContact OE1-N 3.31Å; A833-K837 WeakPolarHBondContact O-CB 3.43Å; A833-K837 PolarHBondContact O-N 3.07Å; A833-L859 WeakPolarHBondContact CB-O 3.37Å; A833-K862 HydrophobicContact CB-CB 3.99Å
834	G	96.9	Very high	97.4	Very high	28 Å²	28	32.4 Å²	32.4	29%	0.289	16%	0.162	S	C	.	.	H	α-helix	trans	-66.6	-45	179.7	0	0	0	0	0	111.7	E805 K837 R838	E805-G834 WeakPolarHBondContact OE1-CA 3.09Å; E805-G834 PolarHBondContact OE1-N 2.81Å; G834-K837 WeakPolarHBondContact O-CB 3.4Å; G834-K837 PolarHBondContact O-N 2.81Å; G834-R838 PolarHBondContact O-N 3.14Å
835	G	97.2	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-43	175.2	0	0	0	0	0	112.8	I831 K837 R838 I839	I831-G835 WeakPolarHBondContact O-CA 3.26Å; I831-G835 PolarHBondContact O-N 2.8Å; G835-K837 VanDerWaalsContact C-N 3.33Å; G835-K837 PolarHBondContact O-N 3.06Å; G835-R838 PolarHBondContact O-N 2.82Å; G835-I839 WeakPolarHBondContact O-CG1 3.47Å; G835-I839 PolarHBondContact O-N 3.05Å
836	A	97.9	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-38.3	174.6	0	0	0	0	0	113	G832 R838 I839 A840 L859 L867	G832-A836 PolarHBondContact O-N 3.15Å; A836-R838 VanDerWaalsContact C-N 3.33Å; A836-R838 PolarHBondContact O-N 2.84Å; A836-I839 PolarHBondContact O-N 3.33Å; A836-A840 WeakPolarHBondContact O-CB 3.44Å; A836-A840 PolarHBondContact O-N 2.91Å; A836-L859 HydrophobicContact CB-CB 4.47Å; A836-L859 HydrophobicContact CB-CD1 4.17Å; A836-L859 HydrophobicContact CB-CD2 3.74Å; A836-L859 HydrophobicContact CB-CG 4.32Å; A836-L867 HydrophobicContact CB-CD1 4.44Å
837	K	98.1	Very high	96.9	Very high	117 Å²	117	41.4 Å²	41.4	51%	0.509	20%	0.203	S	C	.	.	H	α-helix	trans	-59.6	-43.6	174.9	-176.9	-176.3	174.7	-175	0	111.7	A833 G834 G835 A840 E841 A866	A833-K837 WeakPolarHBondContact O-CB 3.43Å; A833-K837 PolarHBondContact O-N 3.07Å; G834-K837 WeakPolarHBondContact O-CB 3.4Å; G834-K837 PolarHBondContact O-N 2.81Å; G835-K837 VanDerWaalsContact C-N 3.33Å; G835-K837 PolarHBondContact O-N 3.06Å; K837-A840 WeakPolarHBondContact O-CB 3.43Å; K837-A840 PolarHBondContact O-N 3.49Å; K837-E841 WeakPolarHBondContact CE-OE1 3.43Å; K837-E841 WeakPolarHBondContact O-CG 3.39Å; K837-E841 PolarHBondContact O-N 2.62Å; K837-A866 HydrophobicContact CB-CB 4.06Å; K837-A866 HydrophobicContact CG-CB 4.14Å
838	R	97.9	Very high	96.8	Very high	92 Å²	92	39.7 Å²	39.7	35%	0.347	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-44.9	176.6	-65.2	-62.5	-164.7	178.9	6.8	112.2	Q809 A812 G834 G835 A836 A840 E841 A842	Q809-R838 HydrophobicContact CB-CB 4.32Å; Q809-R838 HydrophobicContact CB-CG 3.98Å; Q809-R838 HydrophobicContact CG-CB 4.41Å; Q809-R838 HydrophobicContact CG-CG 3.88Å; A812-R838 VanDerWaalsContact CB-C 3.47Å; A812-R838 HydrophobicContact CB-CB 3.9Å; A812-R838 WeakPolarHBondContact CB-O 3.37Å; G834-R838 PolarHBondContact O-N 3.14Å; G835-R838 PolarHBondContact O-N 2.82Å; A836-R838 VanDerWaalsContact C-N 3.33Å; A836-R838 PolarHBondContact O-N 2.84Å; R838-A840 VanDerWaalsContact C-N 3.27Å; R838-A840 PolarHBondContact O-N 2.67Å; R838-E841 WeakPolarHBondContact CD-OE2 3.31Å; R838-E841 IonicContact NH1-OE2 2.71Å; R838-E841 PolarHBondContact NH1-OE2 3.24Å; R838-E841 VanDerWaalsContact NH1-OE2 3.14Å; R838-E841 WeakPolarHBondContact O-CB 3.43Å; R838-E841 PolarHBondContact O-N 3.03Å; R838-A842 PolarHBondContact O-N 3.37Å; R838-A842 VanDerWaalsContact O-N 3.09Å
839	I	98	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.9	-43	175.1	-65.7	162.8	0	0	0	110.2	A808 A812 M826 I831 G835 A836 A842 L843 L852 L854 L867	A808-I839 HydrophobicContact CB-CD1 4.22Å; A812-I839 HydrophobicContact CB-CG1 4.15Å; M826-I839 HydrophobicContact CE-CD1 3.42Å; M826-I839 VanDerWaalsContact CE-CD1 3.42Å; M826-I839 HydrophobicContact CE-CG1 4.34Å; I831-I839 HydrophobicContact CG2-CD1 4.19Å; G835-I839 WeakPolarHBondContact O-CG1 3.47Å; G835-I839 PolarHBondContact O-N 3.05Å; A836-I839 PolarHBondContact O-N 3.33Å; I839-A842 PolarHBondContact O-N 3.26Å; I839-L843 HydrophobicContact CG2-CD1 4.23Å; I839-L843 HydrophobicContact CG2-CG 4.37Å; I839-L843 WeakPolarHBondContact O-CG 3.28Å; I839-L843 PolarHBondContact O-N 3.07Å; I839-L852 HydrophobicContact CG2-CD2 3.95Å; I839-L854 HydrophobicContact CD1-CD2 4.12Å; I839-L867 HydrophobicContact CG2-CD2 4.38Å
840	A	97.8	Very high	96.8	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-44.3	176.6	0	0	0	0	0	112.7	A836 K837 R838 A842 L843 K844 A866 L867 A870	A836-A840 WeakPolarHBondContact O-CB 3.44Å; A836-A840 PolarHBondContact O-N 2.91Å; K837-A840 WeakPolarHBondContact O-CB 3.43Å; K837-A840 PolarHBondContact O-N 3.49Å; R838-A840 VanDerWaalsContact C-N 3.27Å; R838-A840 PolarHBondContact O-N 2.67Å; A840-A842 VanDerWaalsContact C-N 3.27Å; A840-A842 PolarHBondContact O-N 2.99Å; A840-L843 PolarHBondContact O-N 3.22Å; A840-K844 PolarHBondContact O-N 2.96Å; A840-A866 VanDerWaalsContact CB-C 3.43Å; A840-A866 HydrophobicContact CB-CB 4.03Å; A840-A866 VanDerWaalsContact CB-O 3.23Å; A840-A866 WeakPolarHBondContact CB-O 3.48Å; A840-L867 HydrophobicContact CB-CD2 4.08Å; A840-L867 HydrophobicContact CB-CG 4.47Å; A840-A870 HydrophobicContact CB-CB 3.91Å; A840-A870 WeakPolarHBondContact O-CB 3.22Å
841	E	97.2	Very high	96.9	Very high	68 Å²	68	37.5 Å²	37.5	32%	0.318	19%	0.187	S	C	.	.	H	α-helix	trans	-55.7	-43.2	173.9	-73.5	168	-176	0	0	111.2	K837 R838 K844	K837-E841 WeakPolarHBondContact CE-OE1 3.43Å; K837-E841 WeakPolarHBondContact O-CG 3.39Å; K837-E841 PolarHBondContact O-N 2.62Å; R838-E841 WeakPolarHBondContact CD-OE2 3.31Å; R838-E841 IonicContact NH1-OE2 2.71Å; R838-E841 PolarHBondContact NH1-OE2 3.24Å; R838-E841 VanDerWaalsContact NH1-OE2 3.14Å; R838-E841 WeakPolarHBondContact O-CB 3.43Å; R838-E841 PolarHBondContact O-N 3.03Å; E841-K844 PolarHBondContact O-N 3.04Å
842	A	97	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68.4	-37.6	177.9	0	0	0	0	0	113.8	A812 L815 Q816 R838 I839 A840 K844 T845 N846	A812-A842 HydrophobicContact CB-CB 4.13Å; A812-A842 WeakPolarHBondContact O-CB 3.5Å; L815-A842 HydrophobicContact CB-CB 3.99Å; Q816-A842 HydrophobicContact CG-CB 3.8Å; R838-A842 PolarHBondContact O-N 3.37Å; R838-A842 VanDerWaalsContact O-N 3.09Å; I839-A842 PolarHBondContact O-N 3.26Å; A840-A842 VanDerWaalsContact C-N 3.27Å; A840-A842 PolarHBondContact O-N 2.99Å; A842-K844 PolarHBondContact O-N 3.48Å; A842-T845 PolarHBondContact O-N 3.38Å; A842-T845 PolarHBondContact O-OG1 2.86Å; A842-N846 WeakPolarHBondContact O-CB 3.35Å; A842-N846 PolarHBondContact O-N 3.03Å
843	L	96.7	Very high	97.1	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-26.7	177.7	-72.3	174.7	0	0	0	112.7	I839 A840 T845 L849 L852 L867 A870 N874	I839-L843 HydrophobicContact CG2-CD1 4.23Å; I839-L843 HydrophobicContact CG2-CG 4.37Å; I839-L843 WeakPolarHBondContact O-CG 3.28Å; I839-L843 PolarHBondContact O-N 3.07Å; A840-L843 PolarHBondContact O-N 3.22Å; L843-T845 PolarHBondContact O-N 3.4Å; L843-L849 HydrophobicContact CD2-CD2 3.92Å; L843-L852 HydrophobicContact CD1-CD2 3.82Å; L843-L867 HydrophobicContact CD1-CD2 4.07Å; L843-A870 HydrophobicContact CB-CB 4.03Å; L843-N874 WeakPolarHBondContact O-CB 3.44Å; L843-N874 PolarHBondContact O-ND2 3.49Å
844	K	95.7	Very high	97.1	Very high	70 Å²	70	36.6 Å²	36.6	30%	0.304	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.5	177.3	-67.8	177.9	-177.4	-179.6	0	112.6	A840 E841 A842 A870 F873	A840-K844 PolarHBondContact O-N 2.96Å; E841-K844 PolarHBondContact O-N 3.04Å; A842-K844 PolarHBondContact O-N 3.48Å; K844-A870 HydrophobicContact CG-CB 4.03Å; K844-F873 HydrophobicContact CD-CD2 4.38Å; K844-F873 HydrophobicContact CG-CD2 4.24Å
845	T	94.5	Very high	97.2	Very high	72 Å²	72	35.4 Å²	35.4	44%	0.442	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-22	-177.7	60	0	0	0	0	113.7	A842 L843	A842-T845 PolarHBondContact O-N 3.38Å; A842-T845 PolarHBondContact O-OG1 2.86Å; L843-T845 PolarHBondContact O-N 3.4Å
846	N	95.1	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.			trans	-68.4	133.1	177	-175.3	-83.9	0	0	0	111.2	L815 N818 A842 T848 L849 N874	L815-N846 PolarHBondContact O-ND2 3.12Å; N818-N846 PolarHBondContact O-ND2 2.92Å; A842-N846 WeakPolarHBondContact O-CB 3.35Å; A842-N846 PolarHBondContact O-N 3.03Å; N846-T848 PolarHBondContact ND2-OG1 3.3Å; N846-T848 PolarHBondContact OD1-N 2.93Å; N846-L849 VanDerWaalsContact OD1-CB 3.31Å; N846-L849 WeakPolarHBondContact OD1-CB 3.34Å; N846-L849 PolarHBondContact OD1-N 3.42Å; N846-N874 PolarHBondContact O-ND2 3.48Å
847	R	94.3	Very high	97.2	Very high	134 Å²	134	36.8 Å²	36.8	51%	0.506	17%	0.172	S	C	.	.			trans	-123.3	18.8	-177.7	-58.3	-62.3	-176.7	172.6	-2.6	113.2	F873 T876	R847-F873 PolarHBondContact NH1-O 3.01Å; R847-T876 WeakPolarHBondContact O-CG2 3.04Å
848	T	96.1	Very high	97.1	Very high	28 Å²	28	37.7 Å²	37.7	17%	0.172	18%	0.178	C	C	.	.	S	Bend	trans	-126.2	-30	-175.2	63.1	0	0	0	0	113.6	R819 L821 N846 T850	R819-T848 HydrophobicContact CB-CG2 4.42Å; R819-T848 WeakPolarHBondContact O-CG2 3.4Å; L821-T848 CarbonylContact O-C 3.58Å; L821-T848 PolarHBondContact O-OG1 3.12Å; N846-T848 PolarHBondContact ND2-OG1 3.3Å; N846-T848 PolarHBondContact OD1-N 2.93Å; T848-T850 PolarHBondContact O-N 3.47Å
849	L	97.4	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.			trans	-72.8	115.2	-179.1	-163.5	77.6	0	0	0	110.1	L821 V822 L824 L843 N846 L852 L877	L821-L849 HydrophobicContact CD2-CD1 4.31Å; L821-L849 HydrophobicContact CG-CD1 4.33Å; L821-L849 PolarHBondContact O-N 3.24Å; V822-L849 WeakPolarHBondContact O-CD1 3.18Å; L824-L849 HydrophobicContact CB-CD1 3.88Å; L824-L849 HydrophobicContact CB-CD2 4.45Å; L843-L849 HydrophobicContact CD2-CD2 3.92Å; N846-L849 VanDerWaalsContact OD1-CB 3.31Å; N846-L849 WeakPolarHBondContact OD1-CB 3.34Å; N846-L849 PolarHBondContact OD1-N 3.42Å; L849-L852 HydrophobicContact CD2-CB 4.17Å; L849-L852 HydrophobicContact CD2-CD1 4.3Å; L849-L877 HydrophobicContact CD2-CD1 4.46Å; L849-L877 HydrophobicContact CG-CD1 4.46Å
850	T	98.1	Very high	97	Very high	42 Å²	42	34.2 Å²	34.2	26%	0.258	17%	0.171	S	C	.	.			trans	-104.4	-21.6	178.9	65.2	0	0	0	0	112.5	V822 T848 T876 L878 S879	V822-T850 HydrophobicContact CG1-CG2 4.13Å; V822-T850 WeakPolarHBondContact CG1-OG1 3.26Å; V822-T850 PolarHBondContact O-N 3.44Å; V822-T850 PolarHBondContact O-OG1 2.82Å; T848-T850 PolarHBondContact O-N 3.47Å; T850-T876 HydrophobicContact CG2-CG2 4.2Å; T850-L878 HydrophobicContact CG2-CD1 4.45Å; T850-L878 HydrophobicContact CG2-CG 4.46Å; T850-L878 PolarHBondContact O-N 3.17Å; T850-S879 PolarHBondContact O-N 2.87Å
851	K	98.6	Very high	97	Very high	90 Å²	90	35.9 Å²	35.9	39%	0.391	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.4	-179.3	-170.9	175.7	-169.8	180	0	112	V822 L824 I853	V822-K851 PolarHBondContact O-N 3.04Å; V822-K851 VanDerWaalsContact O-N 3.1Å; L824-K851 PolarHBondContact N-O 3.03Å; K851-I853 HydrophobicContact CG-CG1 4.37Å
852	L	98.5	Very high	97	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120	177.5	179.4	58.6	0	0	0	110.8	L824 I839 L843 L849 L854 L877 S879 L880 Q881	L824-L852 HydrophobicContact CB-CD1 4.3Å; L824-L852 HydrophobicContact CD2-CD1 4.13Å; L824-L852 HydrophobicContact CG-CD1 4.24Å; I839-L852 HydrophobicContact CG2-CD2 3.95Å; L843-L852 HydrophobicContact CD1-CD2 3.82Å; L849-L852 HydrophobicContact CD2-CB 4.17Å; L849-L852 HydrophobicContact CD2-CD1 4.3Å; L852-L854 HydrophobicContact CD1-CD1 4.38Å; L852-L854 HydrophobicContact CD1-CD2 4.15Å; L852-L854 HydrophobicContact CD1-CG 4.03Å; L852-L854 HydrophobicContact CD2-CD1 3.95Å; L852-L854 HydrophobicContact CD2-CG 4.4Å; L852-L854 HydrophobicContact CG-CD1 4.08Å; L852-L854 HydrophobicContact CG-CG 3.98Å; L852-L877 HydrophobicContact CB-CD1 3.78Å; L852-L877 HydrophobicContact CB-CD2 4.32Å; L852-S879 PolarHBondContact N-O 3.2Å; L852-L880 HydrophobicContact CB-CD1 4.26Å; L852-L880 HydrophobicContact CD2-CD1 4.12Å; L852-L880 HydrophobicContact CG-CD1 4.21Å; L852-Q881 PolarHBondContact O-N 3.48Å
853	I	98.6	Very high	97	Very high	22 Å²	22	41 Å²	41	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.5	179.6	-46.9	179.9	0	0	0	110	L824 N825 M826 R827 K851 Q881	L824-I853 PolarHBondContact O-N 3.19Å; N825-I853 HydrophobicContact CB-CB 4.22Å; N825-I853 HydrophobicContact CB-CD1 4.01Å; N825-I853 HydrophobicContact CB-CG1 4.41Å; M826-I853 PolarHBondContact N-O 3.36Å; R827-I853 HydrophobicContact CB-CG2 4.08Å; K851-I853 HydrophobicContact CG-CG1 4.37Å; I853-Q881 HydrophobicContact CB-CB 4.37Å; I853-Q881 HydrophobicContact CG1-CB 4.47Å; I853-Q881 HydrophobicContact CG1-CG 4.14Å; I853-Q881 HydrophobicContact CG2-CB 3.99Å; I853-Q881 HydrophobicContact CG2-CG 4.42Å
854	L	98.3	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.			trans	-123.8	23.6	-179.7	-63.6	174.4	0	0	0	112.4	M826 I831 I839 L852 N857 L859 L867 Q881 L882 N885	M826-L854 HydrophobicContact CB-CD2 4.28Å; M826-L854 HydrophobicContact CE-CD2 3.58Å; I831-L854 HydrophobicContact CD1-CD2 3.62Å; I839-L854 HydrophobicContact CD1-CD2 4.12Å; L852-L854 HydrophobicContact CD1-CD1 4.38Å; L852-L854 HydrophobicContact CD1-CD2 4.15Å; L852-L854 HydrophobicContact CD1-CG 4.03Å; L852-L854 HydrophobicContact CD2-CD1 3.95Å; L852-L854 HydrophobicContact CD2-CG 4.4Å; L852-L854 HydrophobicContact CG-CD1 4.08Å; L852-L854 HydrophobicContact CG-CG 3.98Å; L854-N857 WeakPolarHBondContact O-CB 3.48Å; L854-N857 PolarHBondContact O-ND2 2.85Å; L854-L859 HydrophobicContact CB-CD1 4.13Å; L854-L859 HydrophobicContact CD1-CD1 4.13Å; L854-L867 HydrophobicContact CD1-CD1 3.87Å; L854-L867 HydrophobicContact CD1-CD2 4.36Å; L854-Q881 CarbonylContact C-O 3.55Å; L854-Q881 PolarHBondContact N-O 3Å; L854-L882 HydrophobicContact CB-CD2 4.16Å; L854-L882 HydrophobicContact CD1-CD2 4.45Å; L854-N885 PolarHBondContact O-ND2 3.49Å; L854-N885 PolarHBondContact O-OD1 3.15Å
855	C	97.9	Very high	97.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	20%	0.2	C	C	.	.			trans	-58.5	143	-179.4	-47.2	0	0	0	0	112.3	R827 K828 N857 Q881 Q883	R827-C855 CarbonylContact C-O 3.4Å; R827-C855 VanDerWaalsContact CA-O 3.24Å; R827-C855 WeakPolarHBondContact CA-O 3.45Å; R827-C855 HydrophobicContact CB-CB 4.39Å; R827-C855 HydrophobicContact CG-CB 3.93Å; K828-C855 PolarHBondContact N-O 2.94Å; C855-N857 PolarHBondContact O-ND2 3.19Å; C855-N857 VanDerWaalsContact O-ND2 3.09Å; C855-Q881 PolarHBondContact N-O 3.46Å; C855-Q881 VanDerWaalsContact SG-CB 3.57Å; C855-Q883 CarbonylContact C-O 3.5Å; C855-Q883 WeakPolarHBondContact CA-O 3.36Å; C855-Q883 HydrophobicContact CB-CB 3.96Å; C855-Q883 WeakPolarHBondContact CB-O 2.96Å
856	S	97.6	Very high	97.4	Very high	29 Å²	29	37 Å²	37	20%	0.203	18%	0.183	C	C	.	.	S	Bend	trans	58.3	52.2	174.6	-42.8	0	0	0	0	113.7	K828 Q883 S884	K828-S856 VanDerWaalsContact CA-O 3.28Å; K828-S856 WeakPolarHBondContact CA-O 3.37Å; S856-Q883 PolarHBondContact N-O 3.04Å; S856-S884 VanDerWaalsContact CA-O 3.27Å; S856-S884 WeakPolarHBondContact CA-O 3.34Å
857	N	97.7	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-124.6	5.8	-175.7	-86.8	-69.4	0	0	0	115.3	M826 N829 I831 G832 L854 C855 L859 N885	M826-N857 PolarHBondContact O-ND2 3.14Å; M826-N857 PolarHBondContact O-OD1 2.95Å; N829-N857 WeakPolarHBondContact CA-OD1 3.5Å; N829-N857 WeakPolarHBondContact CB-OD1 3.35Å; N829-N857 PolarHBondContact N-OD1 2.93Å; N829-N857 WeakPolarHBondContact O-CA 3.25Å; N829-N857 PolarHBondContact O-OD1 3.47Å; N829-N857 VanDerWaalsContact O-OD1 3.07Å; I831-N857 HydrophobicContact CB-CB 4.13Å; I831-N857 HydrophobicContact CD1-CB 4.36Å; I831-N857 VanDerWaalsContact CD1-OD1 3.27Å; I831-N857 WeakPolarHBondContact CD1-OD1 3.26Å; I831-N857 HydrophobicContact CG1-CB 4.47Å; I831-N857 WeakPolarHBondContact CG1-OD1 3.47Å; G832-N857 PolarHBondContact N-O 3.39Å; G832-N857 VanDerWaalsContact N-O 3.12Å; L854-N857 WeakPolarHBondContact O-CB 3.48Å; L854-N857 PolarHBondContact O-ND2 2.85Å; C855-N857 PolarHBondContact O-ND2 3.19Å; C855-N857 VanDerWaalsContact O-ND2 3.09Å; N857-L859 VanDerWaalsContact C-N 3.27Å; N857-L859 HydrophobicContact CB-CD2 3.68Å; N857-L859 HydrophobicContact CB-CG 4.13Å; N857-L859 PolarHBondContact O-N 3.4Å; N857-N885 WeakPolarHBondContact CA-OD1 3.29Å; N857-N885 PolarHBondContact N-OD1 3.34Å
858	Q	96.3	Very high	97.7	Very high	136 Å²	136	30.7 Å²	30.7	64%	0.636	16%	0.16	S	C	*	.			trans	57.4	38.6	177.7	-52.7	169.4	20.4	0	0	112.7	G860 N885	Q858-G860 VanDerWaalsContact C-N 3.28Å; Q858-G860 PolarHBondContact O-N 3Å; Q858-N885 PolarHBondContact N-OD1 3.29Å
859	L	97.1	Very high	97.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.175	C	C	.	.			trans	-65.6	-33.7	-177.8	-54.1	-172.9	0	0	0	112.6	I831 G832 A833 A836 L854 N857 G863 L867 L882 N885	I831-L859 HydrophobicContact CB-CD2 4.21Å; I831-L859 HydrophobicContact CG2-CD2 4Å; G832-L859 WeakPolarHBondContact O-CD2 3.45Å; A833-L859 WeakPolarHBondContact CB-O 3.37Å; A836-L859 HydrophobicContact CB-CB 4.47Å; A836-L859 HydrophobicContact CB-CD1 4.17Å; A836-L859 HydrophobicContact CB-CD2 3.74Å; A836-L859 HydrophobicContact CB-CG 4.32Å; L854-L859 HydrophobicContact CB-CD1 4.13Å; L854-L859 HydrophobicContact CD1-CD1 4.13Å; N857-L859 VanDerWaalsContact C-N 3.27Å; N857-L859 HydrophobicContact CB-CD2 3.68Å; N857-L859 HydrophobicContact CB-CG 4.13Å; N857-L859 PolarHBondContact O-N 3.4Å; L859-G863 PolarHBondContact O-N 3.31Å; L859-L867 HydrophobicContact CD1-CD1 3.9Å; L859-L882 HydrophobicContact CD1-CD2 3.89Å; L859-N885 HydrophobicContact CB-CB 4.26Å; L859-N885 HydrophobicContact CG-CB 4.31Å; L859-N885 WeakPolarHBondContact CG-OD1 3.38Å
860	G	96.8	Very high	97.7	Very high	19 Å²	19	34.3 Å²	34.3	20%	0.196	18%	0.175	C	C	.	.	H	α-helix	trans	60	-169.6	-173.7	0	0	0	0	0	113.4	Q858 K862 T864 N885	Q858-G860 VanDerWaalsContact C-N 3.28Å; Q858-G860 PolarHBondContact O-N 3Å; G860-K862 PolarHBondContact O-N 3.27Å; G860-T864 WeakPolarHBondContact O-CB 3.42Å; G860-T864 PolarHBondContact O-N 3.09Å; G860-T864 PolarHBondContact O-OG1 2.93Å; G860-N885 WeakPolarHBondContact CA-O 3.47Å; G860-N885 PolarHBondContact N-O 3.2Å
861	D	97.9	Very high	97.7	Very high	38 Å²	38	32.4 Å²	32.4	20%	0.203	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-40.5	179.9	-67.2	-38.4	0	0	0	112.6	G863 T864 V865 S888 K890 G891	D861-G863 PolarHBondContact O-N 3.14Å; D861-T864 PolarHBondContact O-N 3.34Å; D861-V865 WeakPolarHBondContact O-CB 3.42Å; D861-V865 VanDerWaalsContact O-CG2 3.28Å; D861-V865 WeakPolarHBondContact O-CG2 3.4Å; D861-V865 PolarHBondContact O-N 3.49Å; D861-S888 WeakPolarHBondContact OD1-CA 3.49Å; D861-S888 PolarHBondContact OD1-N 3.33Å; D861-S888 PolarHBondContact OD1-OG 3.2Å; D861-S888 VanDerWaalsContact OD1-OG 3.11Å; D861-S888 PolarHBondContact OD2-OG 3.12Å; D861-K890 HydrophobicContact CB-CB 4.15Å; D861-G891 WeakPolarHBondContact OD1-CA 3.47Å; D861-G891 PolarHBondContact OD1-N 3.46Å
862	K	97.5	Very high	97.5	Very high	176 Å²	176	30 Å²	30	77%	0.765	16%	0.156	S	C	*	.	H	α-helix	trans	-62.6	-45.3	-177.9	-68.8	-177.3	-179.5	178.6	0	111.9	A833 G860 A866	A833-K862 HydrophobicContact CB-CB 3.99Å; G860-K862 PolarHBondContact O-N 3.27Å; K862-A866 PolarHBondContact O-N 3.3Å
863	G	97.3	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.2	-41.2	176.6	0	0	0	0	0	112	L859 D861 A866 L867	L859-G863 PolarHBondContact O-N 3.31Å; D861-G863 PolarHBondContact O-N 3.14Å; G863-A866 PolarHBondContact O-N 2.89Å; G863-L867 WeakPolarHBondContact O-CG 3.48Å; G863-L867 PolarHBondContact O-N 3.04Å
864	T	97.8	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-42.1	177.5	-59.9	0	0	0	0	112.5	G860 D861 A866 L867 A868 I887 L895	G860-T864 WeakPolarHBondContact O-CB 3.42Å; G860-T864 PolarHBondContact O-N 3.09Å; G860-T864 PolarHBondContact O-OG1 2.93Å; D861-T864 PolarHBondContact O-N 3.34Å; T864-A866 VanDerWaalsContact C-N 3.34Å; T864-A866 PolarHBondContact O-N 2.7Å; T864-L867 PolarHBondContact O-N 3.32Å; T864-A868 WeakPolarHBondContact O-CB 3.41Å; T864-A868 PolarHBondContact O-N 3.31Å; T864-I887 HydrophobicContact CG2-CD1 4.12Å; T864-I887 HydrophobicContact CG2-CG2 4.05Å; T864-I887 VanDerWaalsContact OG1-CD1 3.3Å; T864-I887 WeakPolarHBondContact OG1-CD1 3.28Å; T864-I887 VanDerWaalsContact OG1-CG1 3.3Å; T864-I887 WeakPolarHBondContact OG1-CG1 3.49Å; T864-L895 HydrophobicContact CG2-CD1 3.54Å; T864-L895 HydrophobicContact CG2-CD2 4.38Å; T864-L895 HydrophobicContact CG2-CG 3.7Å
865	V	98.1	Very high	97	Very high	47 Å²	47	38.6 Å²	38.6	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-61.6	-42.8	175.6	169.5	0	0	0	0	110.8	D861 L867 A868 E869	D861-V865 WeakPolarHBondContact O-CB 3.42Å; D861-V865 VanDerWaalsContact O-CG2 3.28Å; D861-V865 WeakPolarHBondContact O-CG2 3.4Å; D861-V865 PolarHBondContact O-N 3.49Å; V865-L867 PolarHBondContact O-N 3.35Å; V865-A868 WeakPolarHBondContact O-CB 3.38Å; V865-A868 PolarHBondContact O-N 3.17Å; V865-E869 WeakPolarHBondContact O-CG 3.5Å; V865-E869 PolarHBondContact O-N 3.13Å
866	A	98.1	Very high	96.9	Very high	11 Å²	11	40.1 Å²	40.1	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-46	176.4	0	0	0	0	0	111.9	K837 A840 K862 G863 T864 A868 E869 A870	K837-A866 HydrophobicContact CB-CB 4.06Å; K837-A866 HydrophobicContact CG-CB 4.14Å; A840-A866 VanDerWaalsContact CB-C 3.43Å; A840-A866 HydrophobicContact CB-CB 4.03Å; A840-A866 VanDerWaalsContact CB-O 3.23Å; A840-A866 WeakPolarHBondContact CB-O 3.48Å; K862-A866 PolarHBondContact O-N 3.3Å; G863-A866 PolarHBondContact O-N 2.89Å; T864-A866 VanDerWaalsContact C-N 3.34Å; T864-A866 PolarHBondContact O-N 2.7Å; A866-A868 VanDerWaalsContact C-N 3.3Å; A866-A868 PolarHBondContact O-N 2.99Å; A866-E869 WeakPolarHBondContact O-CB 3.32Å; A866-E869 PolarHBondContact O-N 3.04Å; A866-A870 PolarHBondContact O-N 3Å; A866-A870 VanDerWaalsContact O-N 3.12Å
867	L	98.1	Very high	96.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-41.1	175	-72.3	170.5	0	0	0	111.7	A836 I839 A840 L843 L854 L859 G863 T864 V865 A870 L871 L882	A836-L867 HydrophobicContact CB-CD1 4.44Å; I839-L867 HydrophobicContact CG2-CD2 4.38Å; A840-L867 HydrophobicContact CB-CD2 4.08Å; A840-L867 HydrophobicContact CB-CG 4.47Å; L843-L867 HydrophobicContact CD1-CD2 4.07Å; L854-L867 HydrophobicContact CD1-CD1 3.87Å; L854-L867 HydrophobicContact CD1-CD2 4.36Å; L859-L867 HydrophobicContact CD1-CD1 3.9Å; G863-L867 WeakPolarHBondContact O-CG 3.48Å; G863-L867 PolarHBondContact O-N 3.04Å; T864-L867 PolarHBondContact O-N 3.32Å; V865-L867 PolarHBondContact O-N 3.35Å; L867-A870 WeakPolarHBondContact O-CB 3.45Å; L867-A870 PolarHBondContact O-N 3.43Å; L867-L871 WeakPolarHBondContact O-CG 3.19Å; L867-L871 PolarHBondContact O-N 2.71Å; L867-L882 HydrophobicContact CD1-CD2 3.87Å
868	A	97.3	Very high	97	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-44.7	176	0	0	0	0	0	111.9	T864 V865 A866 A870 L871 T872 G894 L895 A898	T864-A868 WeakPolarHBondContact O-CB 3.41Å; T864-A868 PolarHBondContact O-N 3.31Å; V865-A868 WeakPolarHBondContact O-CB 3.38Å; V865-A868 PolarHBondContact O-N 3.17Å; A866-A868 VanDerWaalsContact C-N 3.3Å; A866-A868 PolarHBondContact O-N 2.99Å; A868-A870 VanDerWaalsContact C-N 3.26Å; A868-A870 PolarHBondContact O-N 3.49Å; A868-L871 WeakPolarHBondContact O-CB 3.4Å; A868-L871 PolarHBondContact O-N 3.19Å; A868-L871 VanDerWaalsContact O-N 3.12Å; A868-T872 PolarHBondContact O-N 3.33Å; A868-G894 WeakPolarHBondContact CB-O 3.46Å; A868-L895 HydrophobicContact CB-CD2 4.03Å; A868-L895 HydrophobicContact CB-CG 4.28Å; A868-A898 HydrophobicContact CB-CB 3.9Å; A868-A898 WeakPolarHBondContact O-CB 3.43Å
869	E	97.1	Very high	97.1	Very high	103 Å²	103	37 Å²	37	48%	0.481	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-40.2	173.9	-72.2	174.9	-169.8	0	0	111.9	V865 A866 T872	V865-E869 WeakPolarHBondContact O-CG 3.5Å; V865-E869 PolarHBondContact O-N 3.13Å; A866-E869 WeakPolarHBondContact O-CB 3.32Å; A866-E869 PolarHBondContact O-N 3.04Å; E869-T872 PolarHBondContact O-N 3.01Å; E869-T872 PolarHBondContact O-OG1 3.29Å
870	A	97.4	Very high	97.1	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-38	176.8	0	0	0	0	0	113.2	A840 L843 K844 A866 L867 A868 T872 F873 N874	A840-A870 HydrophobicContact CB-CB 3.91Å; A840-A870 WeakPolarHBondContact O-CB 3.22Å; L843-A870 HydrophobicContact CB-CB 4.03Å; K844-A870 HydrophobicContact CG-CB 4.03Å; A866-A870 PolarHBondContact O-N 3Å; A866-A870 VanDerWaalsContact O-N 3.12Å; L867-A870 WeakPolarHBondContact O-CB 3.45Å; L867-A870 PolarHBondContact O-N 3.43Å; A868-A870 VanDerWaalsContact C-N 3.26Å; A868-A870 PolarHBondContact O-N 3.49Å; A870-T872 PolarHBondContact O-N 3.35Å; A870-F873 PolarHBondContact O-N 2.92Å; A870-N874 PolarHBondContact O-N 2.96Å
871	L	97.1	Very high	97.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-18.6	176.4	-69.6	174.3	0	0	0	113.2	L867 A868 F873 L877 L880 L895 A898 N902 L905	L867-L871 WeakPolarHBondContact O-CG 3.19Å; L867-L871 PolarHBondContact O-N 2.71Å; A868-L871 WeakPolarHBondContact O-CB 3.4Å; A868-L871 PolarHBondContact O-N 3.19Å; A868-L871 VanDerWaalsContact O-N 3.12Å; L871-F873 PolarHBondContact O-N 3.12Å; L871-L877 HydrophobicContact CD2-CD2 4Å; L871-L880 HydrophobicContact CD1-CD2 3.84Å; L871-L895 HydrophobicContact CD1-CD2 4.3Å; L871-A898 HydrophobicContact CB-CB 4.05Å; L871-N902 PolarHBondContact O-ND2 3.25Å; L871-L905 HydrophobicContact CD1-CD2 4.47Å
872	T	95.7	Very high	97.2	Very high	39 Å²	39	35.9 Å²	35.9	24%	0.239	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.1	172.5	65.4	0	0	0	0	112.7	A868 E869 A870 A898 L901	A868-T872 PolarHBondContact O-N 3.33Å; E869-T872 PolarHBondContact O-N 3.01Å; E869-T872 PolarHBondContact O-OG1 3.29Å; A870-T872 PolarHBondContact O-N 3.35Å; T872-A898 HydrophobicContact CG2-CB 4.13Å; T872-L901 HydrophobicContact CG2-CD1 4.28Å
873	F	94.1	Very high	97.2	Very high	119 Å²	119	28.4 Å²	28.4	52%	0.522	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-28.1	-179.3	-57.5	-81	0	0	0	113.4	K844 R847 A870 L871	K844-F873 HydrophobicContact CD-CD2 4.38Å; K844-F873 HydrophobicContact CG-CD2 4.24Å; R847-F873 PolarHBondContact NH1-O 3.01Å; A870-F873 PolarHBondContact O-N 2.92Å; L871-F873 PolarHBondContact O-N 3.12Å
874	N	95	Very high	97.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.			trans	-92	112	-177.8	-171	-64.4	0	0	0	111.2	L843 N846 A870 T876 L877 N902	L843-N874 WeakPolarHBondContact O-CB 3.44Å; L843-N874 PolarHBondContact O-ND2 3.49Å; N846-N874 PolarHBondContact O-ND2 3.48Å; A870-N874 PolarHBondContact O-N 2.96Å; N874-T876 PolarHBondContact OD1-N 2.8Å; N874-L877 WeakPolarHBondContact OD1-CB 3.48Å; N874-L877 PolarHBondContact OD1-N 3.43Å; N874-N902 PolarHBondContact O-ND2 3.27Å
875	H	94.9	Very high	97.3	Very high	84 Å²	84	30 Å²	30	39%	0.389	16%	0.157	S	C	.	.			trans	-108.6	8.1	173	-53.3	-49.1	0	0	0	113	N902 G904	H875-N902 PolarHBondContact ND1-ND2 2.97Å; H875-G904 WeakPolarHBondContact O-CA 3.34Å
876	T	96.7	Very high	97.2	Very high	34 Å²	34	31.4 Å²	31.4	21%	0.209	17%	0.169	C	C	.	.	S	Bend	trans	-85.8	-32.9	177	-53.8	0	0	0	0	111.5	R847 T850 N874 L878	R847-T876 WeakPolarHBondContact O-CG2 3.04Å; T850-T876 HydrophobicContact CG2-CG2 4.2Å; N874-T876 PolarHBondContact OD1-N 2.8Å; T876-L878 WeakPolarHBondContact O-CG 3.35Å; T876-L878 PolarHBondContact O-N 2.79Å
877	L	97.8	Very high	97.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.165	C	C	.	.			trans	-69.6	114.1	-179.4	-167	74.6	0	0	0	110.1	L849 L852 L871 N874 L880 L905	L849-L877 HydrophobicContact CD2-CD1 4.46Å; L849-L877 HydrophobicContact CG-CD1 4.46Å; L852-L877 HydrophobicContact CB-CD1 3.78Å; L852-L877 HydrophobicContact CB-CD2 4.32Å; L871-L877 HydrophobicContact CD2-CD2 4Å; N874-L877 WeakPolarHBondContact OD1-CB 3.48Å; N874-L877 PolarHBondContact OD1-N 3.43Å; L877-L880 HydrophobicContact CD2-CB 4.04Å; L877-L880 HydrophobicContact CD2-CD1 4.22Å; L877-L880 HydrophobicContact CD2-CG 4.5Å; L877-L905 WeakPolarHBondContact O-CA 3.36Å; L877-L905 WeakPolarHBondContact O-CD1 3.47Å
878	L	98.3	Very high	97.1	Very high	79 Å²	79	32.4 Å²	32.4	41%	0.414	18%	0.175	S	C	.	.			trans	-94.4	-31.2	-177.9	-55.5	-177.4	0	0	0	112	T850 T876 G904 V906 S907	T850-L878 HydrophobicContact CG2-CD1 4.45Å; T850-L878 HydrophobicContact CG2-CG 4.46Å; T850-L878 PolarHBondContact O-N 3.17Å; T876-L878 WeakPolarHBondContact O-CG 3.35Å; T876-L878 PolarHBondContact O-N 2.79Å; L878-G904 WeakPolarHBondContact CD2-O 3.27Å; L878-V906 HydrophobicContact CD2-CG2 4.4Å; L878-V906 PolarHBondContact O-N 2.95Å; L878-S907 PolarHBondContact O-N 3.31Å
879	S	98.6	Very high	97.1	Very high	20 Å²	20	34.6 Å²	34.6	14%	0.14	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124	-178.4	-172.5	0	0	0	0	112.2	T850 L852 Q881 S907	T850-S879 PolarHBondContact O-N 2.87Å; L852-S879 PolarHBondContact N-O 3.2Å; S879-Q881 PolarHBondContact OG-NE2 3.29Å; S879-Q881 VanDerWaalsContact OG-NE2 3.12Å; S879-S907 WeakPolarHBondContact CA-O 3.3Å
880	L	98.5	Very high	97	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.5	177	179.9	58.3	0	0	0	110.3	L852 L871 L877 L882 L905 S907 L908 N909	L852-L880 HydrophobicContact CB-CD1 4.26Å; L852-L880 HydrophobicContact CD2-CD1 4.12Å; L852-L880 HydrophobicContact CG-CD1 4.21Å; L871-L880 HydrophobicContact CD1-CD2 3.84Å; L877-L880 HydrophobicContact CD2-CB 4.04Å; L877-L880 HydrophobicContact CD2-CD1 4.22Å; L877-L880 HydrophobicContact CD2-CG 4.5Å; L880-L882 HydrophobicContact CD1-CD2 4.06Å; L880-L882 HydrophobicContact CD1-CG 4.2Å; L880-L882 HydrophobicContact CD2-CD1 3.94Å; L880-L882 HydrophobicContact CD2-CG 4.3Å; L880-L882 HydrophobicContact CG-CD1 4.12Å; L880-L882 HydrophobicContact CG-CD2 4.33Å; L880-L882 HydrophobicContact CG-CG 3.93Å; L880-L905 HydrophobicContact CB-CD1 3.88Å; L880-S907 PolarHBondContact N-O 3.43Å; L880-L908 HydrophobicContact CB-CD1 4.31Å; L880-L908 HydrophobicContact CD2-CD1 4.34Å; L880-L908 HydrophobicContact CG-CD1 4.34Å; L880-N909 PolarHBondContact O-N 3.25Å; L880-N909 VanDerWaalsContact O-N 3.1Å
881	Q	98.4	Very high	96.9	Very high	33 Å²	33	37.2 Å²	37.2	15%	0.154	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.2	-178.4	-51.1	-73.5	-48.7	0	0	110.8	L852 I853 L854 C855 S879 N909	L852-Q881 PolarHBondContact O-N 3.48Å; I853-Q881 HydrophobicContact CB-CB 4.37Å; I853-Q881 HydrophobicContact CG1-CB 4.47Å; I853-Q881 HydrophobicContact CG1-CG 4.14Å; I853-Q881 HydrophobicContact CG2-CB 3.99Å; I853-Q881 HydrophobicContact CG2-CG 4.42Å; L854-Q881 CarbonylContact C-O 3.55Å; L854-Q881 PolarHBondContact N-O 3Å; C855-Q881 PolarHBondContact N-O 3.46Å; C855-Q881 VanDerWaalsContact SG-CB 3.57Å; S879-Q881 PolarHBondContact OG-NE2 3.29Å; S879-Q881 VanDerWaalsContact OG-NE2 3.12Å; Q881-N909 HydrophobicContact CB-CB 4.49Å; Q881-N909 PolarHBondContact OE1-ND2 3.32Å
882	L	98.2	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.196	C	C	.	.			trans	-124	21.5	-174	-63.3	177.6	0	0	0	113.4	L854 L859 L867 L880 N885 I887 L908 N909 L910 N913	L854-L882 HydrophobicContact CB-CD2 4.16Å; L854-L882 HydrophobicContact CD1-CD2 4.45Å; L859-L882 HydrophobicContact CD1-CD2 3.89Å; L867-L882 HydrophobicContact CD1-CD2 3.87Å; L880-L882 HydrophobicContact CD1-CD2 4.06Å; L880-L882 HydrophobicContact CD1-CG 4.2Å; L880-L882 HydrophobicContact CD2-CD1 3.94Å; L880-L882 HydrophobicContact CD2-CG 4.3Å; L880-L882 HydrophobicContact CG-CD1 4.12Å; L880-L882 HydrophobicContact CG-CD2 4.33Å; L880-L882 HydrophobicContact CG-CG 3.93Å; L882-N885 VanDerWaalsContact C-ND2 3.27Å; L882-N885 PolarHBondContact O-ND2 2.96Å; L882-I887 HydrophobicContact CB-CD1 3.9Å; L882-I887 HydrophobicContact CD1-CD1 4.17Å; L882-L908 HydrophobicContact CD1-CD1 4.48Å; L882-N909 CarbonylContact C-O 3.59Å; L882-N909 WeakPolarHBondContact CA-O 3.15Å; L882-N909 WeakPolarHBondContact CB-O 3.19Å; L882-N909 PolarHBondContact N-O 2.96Å; L882-L910 HydrophobicContact CB-CD2 4.11Å; L882-L910 HydrophobicContact CD1-CD2 4.18Å; L882-N913 PolarHBondContact O-ND2 2.9Å; L882-N913 VanDerWaalsContact O-ND2 3.15Å
883	Q	97.6	Very high	96.9	Very high	20 Å²	20	38 Å²	38	9%	0.093	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	141.1	178.4	172.6	-174.6	6.1	0	0	112.5	C855 S856 N885 R911 E912	C855-Q883 CarbonylContact C-O 3.5Å; C855-Q883 WeakPolarHBondContact CA-O 3.36Å; C855-Q883 HydrophobicContact CB-CB 3.96Å; C855-Q883 WeakPolarHBondContact CB-O 2.96Å; S856-Q883 PolarHBondContact N-O 3.04Å; Q883-N885 PolarHBondContact O-ND2 3.34Å; Q883-R911 CarbonylContact C-O 3.35Å; Q883-R911 WeakPolarHBondContact CA-O 3.25Å; Q883-R911 HydrophobicContact CB-CB 4.2Å; Q883-R911 HydrophobicContact CG-CB 3.89Å; Q883-R911 HydrophobicContact CG-CG 4.07Å; Q883-R911 WeakPolarHBondContact CG-O 3.28Å; Q883-E912 HydrophobicContact CG-CB 4.36Å; Q883-E912 VanDerWaalsContact NE2-CD 3.28Å; Q883-E912 PolarHBondContact NE2-OE1 3.36Å; Q883-E912 VanDerWaalsContact NE2-OE1 3.14Å; Q883-E912 PolarHBondContact NE2-OE2 3.35Å
884	S	97.5	Very high	97	Very high	32 Å²	32	33 Å²	33	22%	0.224	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	50.5	175.6	-30.1	0	0	0	0	115	S856 R911 E912	S856-S884 VanDerWaalsContact CA-O 3.27Å; S856-S884 WeakPolarHBondContact CA-O 3.34Å; S884-R911 PolarHBondContact N-O 2.97Å; S884-E912 WeakPolarHBondContact CA-O 3.07Å; S884-E912 PolarHBondContact N-O 3.46Å; S884-E912 PolarHBondContact OG-OE2 3.32Å
885	N	98	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-115.2	12.9	-179.7	-82.2	-57.2	0	0	0	114.7	L854 N857 Q858 L859 G860 L882 Q883 I887 N913	L854-N885 PolarHBondContact O-ND2 3.49Å; L854-N885 PolarHBondContact O-OD1 3.15Å; N857-N885 WeakPolarHBondContact CA-OD1 3.29Å; N857-N885 PolarHBondContact N-OD1 3.34Å; Q858-N885 PolarHBondContact N-OD1 3.29Å; L859-N885 HydrophobicContact CB-CB 4.26Å; L859-N885 HydrophobicContact CG-CB 4.31Å; L859-N885 WeakPolarHBondContact CG-OD1 3.38Å; G860-N885 WeakPolarHBondContact CA-O 3.47Å; G860-N885 PolarHBondContact N-O 3.2Å; L882-N885 VanDerWaalsContact C-ND2 3.27Å; L882-N885 PolarHBondContact O-ND2 2.96Å; Q883-N885 PolarHBondContact O-ND2 3.34Å; N885-I887 HydrophobicContact CB-CD1 4.08Å; N885-I887 HydrophobicContact CB-CG1 3.92Å; N885-I887 PolarHBondContact O-N 2.94Å; N885-N913 WeakPolarHBondContact CA-OD1 3.16Å; N885-N913 PolarHBondContact N-OD1 3Å
886	S	96.9	Very high	97.1	Very high	78 Å²	78	29.4 Å²	29.4	55%	0.545	17%	0.167	S	C	.	.			trans	56.7	40.2	-178.7	-52.4	0	0	0	0	112.2	N913	S886-N913 PolarHBondContact N-OD1 3.48Å; S886-N913 VanDerWaalsContact N-OD1 3.09Å
887	I	97.4	Very high	97	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.			trans	-79.1	127.4	177.7	-55.4	175.5	0	0	0	108.7	T864 L882 N885 L910 N913 S914 I915	T864-I887 HydrophobicContact CG2-CD1 4.12Å; T864-I887 HydrophobicContact CG2-CG2 4.05Å; T864-I887 VanDerWaalsContact OG1-CD1 3.3Å; T864-I887 WeakPolarHBondContact OG1-CD1 3.28Å; T864-I887 VanDerWaalsContact OG1-CG1 3.3Å; T864-I887 WeakPolarHBondContact OG1-CG1 3.49Å; L882-I887 HydrophobicContact CB-CD1 3.9Å; L882-I887 HydrophobicContact CD1-CD1 4.17Å; N885-I887 HydrophobicContact CB-CD1 4.08Å; N885-I887 HydrophobicContact CB-CG1 3.92Å; N885-I887 PolarHBondContact O-N 2.94Å; I887-L910 HydrophobicContact CD1-CD2 3.91Å; I887-N913 HydrophobicContact CB-CB 4.04Å; I887-N913 WeakPolarHBondContact CB-OD1 3.5Å; I887-N913 WeakPolarHBondContact CG1-OD1 3.49Å; I887-N913 PolarHBondContact N-OD1 3.25Å; I887-S914 CarbonylContact O-C 3.43Å; I887-S914 WeakPolarHBondContact O-CA 3.49Å; I887-S914 PolarHBondContact O-N 3.48Å; I887-I915 PolarHBondContact O-N 2.88Å
888	S	96.8	Very high	96.9	Very high	32 Å²	32	34.5 Å²	34.5	22%	0.224	19%	0.187	C	C	.	.			trans	-107.3	-173.4	176.7	88.1	0	0	0	0	111.9	D861 K890 G891 M892	D861-S888 WeakPolarHBondContact OD1-CA 3.49Å; D861-S888 PolarHBondContact OD1-N 3.33Å; D861-S888 PolarHBondContact OD1-OG 3.2Å; D861-S888 VanDerWaalsContact OD1-OG 3.11Å; D861-S888 PolarHBondContact OD2-OG 3.12Å; S888-K890 PolarHBondContact O-N 3.41Å; S888-K890 VanDerWaalsContact O-N 3.14Å; S888-K890 PolarHBondContact OG-N 3.25Å; S888-G891 PolarHBondContact O-N 3.47Å; S888-M892 PolarHBondContact O-N 3.26Å; S888-M892 VanDerWaalsContact O-N 3.08Å
889	N	96.9	Very high	96.8	Very high	49 Å²	49	30.9 Å²	30.9	26%	0.262	17%	0.167	S	C	.	.	H	α-helix	trans	-53.7	-31	173.1	-61.3	-22	0	0	0	113.1	M892 T893 G916 E918 G919	N889-M892 PolarHBondContact O-N 2.95Å; N889-T893 PolarHBondContact O-N 2.83Å; N889-T893 PolarHBondContact O-OG1 3.05Å; N889-G916 VanDerWaalsContact OD1-CA 3.3Å; N889-G916 WeakPolarHBondContact OD1-CA 3.49Å; N889-G916 PolarHBondContact OD1-N 3.4Å; N889-G916 PolarHBondContact OD1-O 2.74Å; N889-E918 HydrophobicContact CB-CB 4.23Å; N889-G919 WeakPolarHBondContact OD1-CA 3.37Å; N889-G919 PolarHBondContact OD1-N 2.97Å
890	K	95.1	Very high	96.7	Very high	158 Å²	158	34.9 Å²	34.9	69%	0.687	18%	0.18	S	C	*	.	H	α-helix	trans	-68.7	-47.2	178.5	-67.1	-180	179.6	177.4	0	111.5	D861 S888 M892 T893	D861-K890 HydrophobicContact CB-CB 4.15Å; S888-K890 PolarHBondContact O-N 3.41Å; S888-K890 VanDerWaalsContact O-N 3.14Å; S888-K890 PolarHBondContact OG-N 3.25Å; K890-M892 VanDerWaalsContact C-N 3.27Å; K890-M892 PolarHBondContact O-N 3.25Å; K890-T893 WeakPolarHBondContact O-CB 3.34Å; K890-T893 PolarHBondContact O-N 2.95Å
891	G	96.1	Very high	96.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-39.7	174.3	0	0	0	0	0	111.9	D861 S888 T893 G894 L895	D861-G891 WeakPolarHBondContact OD1-CA 3.47Å; D861-G891 PolarHBondContact OD1-N 3.46Å; S888-G891 PolarHBondContact O-N 3.47Å; G891-T893 VanDerWaalsContact C-N 3.31Å; G891-T893 PolarHBondContact O-N 2.97Å; G891-G894 PolarHBondContact O-N 3.16Å; G891-G894 VanDerWaalsContact O-N 3.14Å; G891-L895 PolarHBondContact O-N 3.43Å
892	M	97.3	Very high	96.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-35.9	174.8	-82.2	-51.3	-49.1	0	0	113.8	S888 N889 K890 G894 L895 T896 L910 I915 M923	S888-M892 PolarHBondContact O-N 3.26Å; S888-M892 VanDerWaalsContact O-N 3.08Å; N889-M892 PolarHBondContact O-N 2.95Å; K890-M892 VanDerWaalsContact C-N 3.27Å; K890-M892 PolarHBondContact O-N 3.25Å; M892-G894 PolarHBondContact O-N 3.28Å; M892-L895 HydrophobicContact CE-CB 4.35Å; M892-L895 PolarHBondContact O-N 3.46Å; M892-L895 HydrophobicContact SD-CD1 3.91Å; M892-T896 WeakPolarHBondContact O-CB 3.45Å; M892-T896 PolarHBondContact O-N 3.24Å; M892-T896 PolarHBondContact O-OG1 3.25Å; M892-T896 VanDerWaalsContact O-OG1 3.12Å; M892-L910 HydrophobicContact SD-CD1 3.79Å; M892-I915 HydrophobicContact CG-CB 4.44Å; M892-I915 HydrophobicContact CG-CD1 3.94Å; M892-I915 HydrophobicContact CG-CG1 3.86Å; M892-I915 HydrophobicContact CG-CG2 3.77Å; M892-I915 HydrophobicContact SD-CD1 3.8Å; M892-I915 HydrophobicContact SD-CG1 4.4Å; M892-M923 HydrophobicContact CE-CB 3.96Å; M892-M923 HydrophobicContact CE-CE 3.37Å; M892-M923 HydrophobicContact CE-SD 4.18Å; M892-M923 HydrophobicContact SD-CE 4.21Å
893	T	95.8	Very high	96	Very high	57 Å²	57	45 Å²	45	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-58.6	-38	175.7	-55.6	0	0	0	0	111.6	N889 K890 G891 K897 N922	N889-T893 PolarHBondContact O-N 2.83Å; N889-T893 PolarHBondContact O-OG1 3.05Å; K890-T893 WeakPolarHBondContact O-CB 3.34Å; K890-T893 PolarHBondContact O-N 2.95Å; G891-T893 VanDerWaalsContact C-N 3.31Å; G891-T893 PolarHBondContact O-N 2.97Å; T893-K897 WeakPolarHBondContact O-CG 3.28Å; T893-K897 PolarHBondContact O-N 3.41Å; T893-N922 PolarHBondContact OG1-ND2 3.42Å
894	G	95.7	Very high	95.9	Very high	13 Å²	13	44.6 Å²	44.6	13%	0.134	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-52.4	174.2	0	0	0	0	0	112.1	A868 G891 M892 T896 K897 A898	A868-G894 WeakPolarHBondContact CB-O 3.46Å; G891-G894 PolarHBondContact O-N 3.16Å; G891-G894 VanDerWaalsContact O-N 3.14Å; M892-G894 PolarHBondContact O-N 3.28Å; G894-T896 VanDerWaalsContact C-N 3.28Å; G894-T896 PolarHBondContact O-N 2.95Å; G894-K897 PolarHBondContact O-N 3.1Å; G894-A898 PolarHBondContact O-N 2.84Å; G894-A898 VanDerWaalsContact O-N 3.16Å
895	L	96.5	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-40.5	179.6	-77.4	170.9	0	0	0	112.3	T864 A868 L871 G891 M892 K897 A898 L899 L910	T864-L895 HydrophobicContact CG2-CD1 3.54Å; T864-L895 HydrophobicContact CG2-CD2 4.38Å; T864-L895 HydrophobicContact CG2-CG 3.7Å; A868-L895 HydrophobicContact CB-CD2 4.03Å; A868-L895 HydrophobicContact CB-CG 4.28Å; L871-L895 HydrophobicContact CD1-CD2 4.3Å; G891-L895 PolarHBondContact O-N 3.43Å; M892-L895 HydrophobicContact CE-CB 4.35Å; M892-L895 PolarHBondContact O-N 3.46Å; M892-L895 HydrophobicContact SD-CD1 3.91Å; L895-K897 PolarHBondContact O-N 3.14Å; L895-A898 WeakPolarHBondContact O-CB 3.48Å; L895-A898 PolarHBondContact O-N 3.26Å; L895-A898 VanDerWaalsContact O-N 3.16Å; L895-L899 WeakPolarHBondContact O-CB 3.41Å; L895-L899 VanDerWaalsContact O-CG 3.28Å; L895-L899 WeakPolarHBondContact O-CG 3.47Å; L895-L899 PolarHBondContact O-N 2.7Å; L895-L910 HydrophobicContact CD1-CD1 4.37Å; L895-L910 HydrophobicContact CD1-CD2 3.86Å
896	T	94.9	Very high	95.9	Very high	11 Å²	11	45 Å²	45	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-48	176.6	-70.3	0	0	0	0	112.3	M892 G894 A898 L899 R900 N922 H925 A926	M892-T896 WeakPolarHBondContact O-CB 3.45Å; M892-T896 PolarHBondContact O-N 3.24Å; M892-T896 PolarHBondContact O-OG1 3.25Å; M892-T896 VanDerWaalsContact O-OG1 3.12Å; G894-T896 VanDerWaalsContact C-N 3.28Å; G894-T896 PolarHBondContact O-N 2.95Å; T896-A898 VanDerWaalsContact C-N 3.26Å; T896-A898 PolarHBondContact O-N 3.4Å; T896-L899 PolarHBondContact O-N 3.25Å; T896-R900 WeakPolarHBondContact O-CG 3.4Å; T896-R900 PolarHBondContact O-N 2.89Å; T896-N922 WeakPolarHBondContact CB-O 3.43Å; T896-N922 HydrophobicContact CG2-CB 4.43Å; T896-N922 WeakPolarHBondContact CG2-O 3.38Å; T896-N922 WeakPolarHBondContact OG1-CB 3.34Å; T896-N922 PolarHBondContact OG1-O 2.74Å; T896-H925 HydrophobicContact CG2-CB 4.47Å; T896-A926 HydrophobicContact CG2-CB 4.13Å
897	K	94.3	Very high	96	Very high	142 Å²	142	42.6 Å²	42.6	62%	0.617	21%	0.209	S	C	*	.	H	α-helix	trans	-59.5	-40.8	177.1	-69.3	177.3	-178.6	-177.4	0	111.3	T893 G894 L895	T893-K897 WeakPolarHBondContact O-CG 3.28Å; T893-K897 PolarHBondContact O-N 3.41Å; G894-K897 PolarHBondContact O-N 3.1Å; L895-K897 PolarHBondContact O-N 3.14Å
898	A	96.6	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.1	-47.3	-179.9	0	0	0	0	0	113.1	A868 L871 T872 G894 L895 T896 R900 L901 N902	A868-A898 HydrophobicContact CB-CB 3.9Å; A868-A898 WeakPolarHBondContact O-CB 3.43Å; L871-A898 HydrophobicContact CB-CB 4.05Å; T872-A898 HydrophobicContact CG2-CB 4.13Å; G894-A898 PolarHBondContact O-N 2.84Å; G894-A898 VanDerWaalsContact O-N 3.16Å; L895-A898 WeakPolarHBondContact O-CB 3.48Å; L895-A898 PolarHBondContact O-N 3.26Å; L895-A898 VanDerWaalsContact O-N 3.16Å; T896-A898 VanDerWaalsContact C-N 3.26Å; T896-A898 PolarHBondContact O-N 3.4Å; A898-R900 VanDerWaalsContact C-N 3.3Å; A898-R900 PolarHBondContact O-N 3.29Å; A898-L901 PolarHBondContact O-N 3.06Å; A898-L901 VanDerWaalsContact O-N 3.13Å; A898-N902 VanDerWaalsContact O-CB 3.32Å; A898-N902 WeakPolarHBondContact O-CB 3.43Å; A898-N902 PolarHBondContact O-N 3.39Å
899	L	96.4	Very high	96.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-31.9	-177.1	-70.7	171.9	0	0	0	112.6	L895 T896 L901 N902 L905 L908 M923 A926 N930	L895-L899 WeakPolarHBondContact O-CB 3.41Å; L895-L899 VanDerWaalsContact O-CG 3.28Å; L895-L899 WeakPolarHBondContact O-CG 3.47Å; L895-L899 PolarHBondContact O-N 2.7Å; T896-L899 PolarHBondContact O-N 3.25Å; L899-L901 PolarHBondContact O-N 3.09Å; L899-N902 PolarHBondContact O-N 3Å; L899-L905 HydrophobicContact CD2-CD2 3.8Å; L899-L908 HydrophobicContact CD1-CD2 3.9Å; L899-L908 HydrophobicContact CD2-CD2 4.5Å; L899-M923 HydrophobicContact CD1-CE 4.14Å; L899-M923 HydrophobicContact CD1-SD 3.83Å; L899-A926 HydrophobicContact CB-CB 3.9Å; L899-A926 HydrophobicContact CD1-CB 4.39Å; L899-N930 WeakPolarHBondContact O-CB 3.3Å; L899-N930 PolarHBondContact O-ND2 3.3Å
900	R	94.8	Very high	96.2	Very high	105 Å²	105	39.6 Å²	39.6	40%	0.396	19%	0.19	S	C	.	.	H	α-helix	trans	-58.2	-36.4	173.4	-73.4	176	67.4	-173.1	5.3	112.8	T896 A898 R903 A926 E929	T896-R900 WeakPolarHBondContact O-CG 3.4Å; T896-R900 PolarHBondContact O-N 2.89Å; A898-R900 VanDerWaalsContact C-N 3.3Å; A898-R900 PolarHBondContact O-N 3.29Å; R900-R903 PolarHBondContact O-NH1 3.35Å; R900-R903 PolarHBondContact O-NH2 2.62Å; R900-R903 VanDerWaalsContact O-NH2 3.12Å; R900-A926 HydrophobicContact CG-CB 4.44Å; R900-E929 HydrophobicContact CG-CB 4.47Å; R900-E929 IonicContact CZ-OE1 3.01Å; R900-E929 VanDerWaalsContact CZ-OE1 3.25Å; R900-E929 IonicContact CZ-OE2 3.44Å; R900-E929 IonicContact NE-OE1 3.77Å; R900-E929 PolarHBondContact NE-OE1 3.07Å; R900-E929 VanDerWaalsContact NE-OE1 3.15Å; R900-E929 IonicContact NE-OE2 2.96Å; R900-E929 PolarHBondContact NE-OE2 3.14Å; R900-E929 IonicContact NH2-OE1 2.91Å; R900-E929 PolarHBondContact NH2-OE1 3.34Å; R900-E929 IonicContact NH2-OE2 3.71Å; R900-E929 PolarHBondContact NH2-OE2 3.18Å
901	L	93.6	Very high	96.3	Very high	110 Å²	110	35.1 Å²	35.1	58%	0.576	17%	0.169	S	C	*	.	H	α-helix	trans	-93.4	-32.1	-179.5	-60.6	178.3	0	0	0	113	T872 A898 L899	T872-L901 HydrophobicContact CG2-CD1 4.28Å; A898-L901 PolarHBondContact O-N 3.06Å; A898-L901 VanDerWaalsContact O-N 3.13Å; L899-L901 PolarHBondContact O-N 3.09Å
902	N	95.3	Very high	96.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.			trans	-69.3	139.9	-175.5	-168.6	-85.2	0	0	0	111.4	L871 N874 H875 A898 L899 G904 L905 N930	L871-N902 PolarHBondContact O-ND2 3.25Å; N874-N902 PolarHBondContact O-ND2 3.27Å; H875-N902 PolarHBondContact ND1-ND2 2.97Å; A898-N902 VanDerWaalsContact O-CB 3.32Å; A898-N902 WeakPolarHBondContact O-CB 3.43Å; A898-N902 PolarHBondContact O-N 3.39Å; L899-N902 PolarHBondContact O-N 3Å; N902-G904 PolarHBondContact OD1-N 3.11Å; N902-L905 WeakPolarHBondContact OD1-CB 3.48Å; N902-L905 PolarHBondContact OD1-N 3.4Å; N902-N930 PolarHBondContact O-ND2 3.36Å
903	R	93.6	Very high	96.4	Very high	137 Å²	137	39.3 Å²	39.3	52%	0.517	19%	0.189	S	C	.	.	S	Bend	trans	-125.3	2.8	177.7	-59.9	-65.8	177.5	-107.1	2.1	113.5	R900 S932	R900-R903 PolarHBondContact O-NH1 3.35Å; R900-R903 PolarHBondContact O-NH2 2.62Å; R900-R903 VanDerWaalsContact O-NH2 3.12Å; R903-S932 VanDerWaalsContact O-CB 3.3Å; R903-S932 WeakPolarHBondContact O-CB 3.47Å
904	G	95	Very high	96.4	Very high	10 Å²	10	39.6 Å²	39.6	10%	0.103	19%	0.193	C	C	.	.	S	Bend	trans	-103.6	-32	-176.3	0	0	0	0	0	114.2	H875 L878 N902 V906	H875-G904 WeakPolarHBondContact O-CA 3.34Å; L878-G904 WeakPolarHBondContact CD2-O 3.27Å; N902-G904 PolarHBondContact OD1-N 3.11Å; G904-V906 PolarHBondContact O-N 2.78Å
905	L	97.7	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.			trans	-72.5	122.5	-174.4	-166.3	73.6	0	0	0	110.5	L871 L877 L880 L899 N902 L908 S932 L933	L871-L905 HydrophobicContact CD1-CD2 4.47Å; L877-L905 WeakPolarHBondContact O-CA 3.36Å; L877-L905 WeakPolarHBondContact O-CD1 3.47Å; L880-L905 HydrophobicContact CB-CD1 3.88Å; L899-L905 HydrophobicContact CD2-CD2 3.8Å; N902-L905 WeakPolarHBondContact OD1-CB 3.48Å; N902-L905 PolarHBondContact OD1-N 3.4Å; L905-L908 HydrophobicContact CD2-CB 4.16Å; L905-L908 HydrophobicContact CD2-CD1 4.44Å; L905-S932 CarbonylContact O-C 3.19Å; L905-S932 VanDerWaalsContact O-C 3.32Å; L905-S932 PolarHBondContact O-OG 3.32Å; L905-S932 VanDerWaalsContact O-OG 3.06Å; L905-L933 HydrophobicContact CD2-CD1 4.42Å; L905-L933 HydrophobicContact CG-CD1 4.41Å; L905-L933 WeakPolarHBondContact O-CA 3.48Å; L905-L933 PolarHBondContact O-N 3.15Å
906	V	98.2	Very high	96.6	Very high	41 Å²	41	39.6 Å²	39.6	25%	0.248	19%	0.193	C	C	.	.			trans	-104.8	-32	-177.5	178.5	0	0	0	0	111.6	L878 G904 Q934 N935	L878-V906 HydrophobicContact CD2-CG2 4.4Å; L878-V906 PolarHBondContact O-N 2.95Å; G904-V906 PolarHBondContact O-N 2.78Å; V906-Q934 HydrophobicContact CG1-CB 3.89Å; V906-Q934 HydrophobicContact CG1-CG 3.98Å; V906-Q934 PolarHBondContact O-N 3.3Å; V906-N935 PolarHBondContact O-N 3.12Å
907	S	98.6	Very high	96.7	Very high	27 Å²	27	40.5 Å²	40.5	19%	0.189	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.4	-177	173.7	0	0	0	0	111.9	L878 S879 L880 N935	L878-S907 PolarHBondContact O-N 3.31Å; S879-S907 WeakPolarHBondContact CA-O 3.3Å; L880-S907 PolarHBondContact N-O 3.43Å; S907-N935 WeakPolarHBondContact CA-O 3.28Å
908	L	98.4	Very high	96.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	120.7	176.7	-180	58.5	0	0	0	110.2	L880 L882 L899 L905 L910 M923 L933 N935 L936 D937	L880-L908 HydrophobicContact CB-CD1 4.31Å; L880-L908 HydrophobicContact CD2-CD1 4.34Å; L880-L908 HydrophobicContact CG-CD1 4.34Å; L882-L908 HydrophobicContact CD1-CD1 4.48Å; L899-L908 HydrophobicContact CD1-CD2 3.9Å; L899-L908 HydrophobicContact CD2-CD2 4.5Å; L905-L908 HydrophobicContact CD2-CB 4.16Å; L905-L908 HydrophobicContact CD2-CD1 4.44Å; L908-L910 HydrophobicContact CD1-CD2 4.45Å; L908-L910 HydrophobicContact CD1-CG 4.23Å; L908-L910 HydrophobicContact CD2-CD1 3.84Å; L908-L910 HydrophobicContact CD2-CG 4.34Å; L908-L910 HydrophobicContact CG-CD1 4.03Å; L908-L910 HydrophobicContact CG-CG 4.01Å; L908-M923 HydrophobicContact CD2-CE 3.98Å; L908-L933 HydrophobicContact CB-CD1 3.77Å; L908-L933 HydrophobicContact CB-CD2 4.46Å; L908-N935 PolarHBondContact N-O 3.34Å; L908-L936 HydrophobicContact CB-CD1 4.44Å; L908-L936 HydrophobicContact CD2-CD1 4.43Å; L908-L936 HydrophobicContact CG-CD1 4.47Å; L908-D937 PolarHBondContact O-N 3.46Å; L908-D937 VanDerWaalsContact O-N 3.08Å
909	N	98.4	Very high	96.8	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.091	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.7	175.5	-178.4	-15.8	0	0	0	110.7	L880 Q881 L882 R911 D937	L880-N909 PolarHBondContact O-N 3.25Å; L880-N909 VanDerWaalsContact O-N 3.1Å; Q881-N909 HydrophobicContact CB-CB 4.49Å; Q881-N909 PolarHBondContact OE1-ND2 3.32Å; L882-N909 CarbonylContact C-O 3.59Å; L882-N909 WeakPolarHBondContact CA-O 3.15Å; L882-N909 WeakPolarHBondContact CB-O 3.19Å; L882-N909 PolarHBondContact N-O 2.96Å; N909-R911 VanDerWaalsContact OD1-CB 3.22Å; N909-R911 WeakPolarHBondContact OD1-CB 3.41Å; N909-R911 PolarHBondContact OD1-N 3.44Å; N909-D937 HydrophobicContact CB-CB 4.45Å
910	L	98.1	Very high	96.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.			trans	-122.3	21.4	-179.6	-69.5	166.9	0	0	0	112.1	L882 I887 M892 L895 L908 N913 I915 M923 D937 L938 N941	L882-L910 HydrophobicContact CB-CD2 4.11Å; L882-L910 HydrophobicContact CD1-CD2 4.18Å; I887-L910 HydrophobicContact CD1-CD2 3.91Å; M892-L910 HydrophobicContact SD-CD1 3.79Å; L895-L910 HydrophobicContact CD1-CD1 4.37Å; L895-L910 HydrophobicContact CD1-CD2 3.86Å; L908-L910 HydrophobicContact CD1-CD2 4.45Å; L908-L910 HydrophobicContact CD1-CG 4.23Å; L908-L910 HydrophobicContact CD2-CD1 3.84Å; L908-L910 HydrophobicContact CD2-CG 4.34Å; L908-L910 HydrophobicContact CG-CD1 4.03Å; L908-L910 HydrophobicContact CG-CG 4.01Å; L910-N913 VanDerWaalsContact C-ND2 3.34Å; L910-N913 PolarHBondContact O-ND2 3.44Å; L910-I915 HydrophobicContact CB-CD1 3.91Å; L910-I915 HydrophobicContact CD1-CD1 4.17Å; L910-I915 HydrophobicContact CD2-CD1 4.49Å; L910-I915 HydrophobicContact CG-CD1 4.43Å; L910-M923 HydrophobicContact CD1-CE 3.52Å; L910-D937 CarbonylContact C-O 3.6Å; L910-D937 WeakPolarHBondContact CA-O 3.42Å; L910-D937 PolarHBondContact N-O 2.9Å; L910-L938 HydrophobicContact CB-CD2 4.05Å; L910-L938 HydrophobicContact CD1-CD2 3.95Å; L910-N941 PolarHBondContact O-ND2 3.26Å
911	R	97.6	Very high	97	Very high	64 Å²	64	37.1 Å²	37.1	24%	0.242	19%	0.186	C	C	.	.			trans	-55.1	148.7	-179.4	174.6	172.6	-177.7	119.9	8.7	112.9	Q883 S884 N909 N913 T939	Q883-R911 CarbonylContact C-O 3.35Å; Q883-R911 WeakPolarHBondContact CA-O 3.25Å; Q883-R911 HydrophobicContact CB-CB 4.2Å; Q883-R911 HydrophobicContact CG-CB 3.89Å; Q883-R911 HydrophobicContact CG-CG 4.07Å; Q883-R911 WeakPolarHBondContact CG-O 3.28Å; S884-R911 PolarHBondContact N-O 2.97Å; N909-R911 VanDerWaalsContact OD1-CB 3.22Å; N909-R911 WeakPolarHBondContact OD1-CB 3.41Å; N909-R911 PolarHBondContact OD1-N 3.44Å; R911-N913 VanDerWaalsContact C-N 3.34Å; R911-N913 PolarHBondContact O-N 3.43Å; R911-N913 PolarHBondContact O-ND2 3.36Å; R911-T939 CarbonylContact C-O 3.37Å; R911-T939 WeakPolarHBondContact CA-O 3.24Å; R911-T939 HydrophobicContact CG-CG2 4.22Å
912	E	97.3	Very high	97.2	Very high	79 Å²	79	33.7 Å²	33.7	37%	0.369	17%	0.168	S	C	.	.	S	Bend	trans	55.5	44.7	172.8	-71	160	-146.7	0	0	113	Q883 S884 T939 A940	Q883-E912 HydrophobicContact CG-CB 4.36Å; Q883-E912 VanDerWaalsContact NE2-CD 3.28Å; Q883-E912 PolarHBondContact NE2-OE1 3.36Å; Q883-E912 VanDerWaalsContact NE2-OE1 3.14Å; Q883-E912 PolarHBondContact NE2-OE2 3.35Å; S884-E912 WeakPolarHBondContact CA-O 3.07Å; S884-E912 PolarHBondContact N-O 3.46Å; S884-E912 PolarHBondContact OG-OE2 3.32Å; E912-T939 PolarHBondContact N-O 3Å; E912-A940 WeakPolarHBondContact CA-O 3.15Å; E912-A940 HydrophobicContact CG-CB 3.76Å; E912-A940 PolarHBondContact N-O 2.9Å
913	N	98.1	Very high	97.3	Very high	9 Å²	9	33.7 Å²	33.7	5%	0.048	17%	0.168	C	C	.	.	S	Bend	trans	-111.2	-174.6	172.9	-78.8	-69.5	0	0	0	110.1	L882 N885 S886 I887 L910 R911 I915 N941	L882-N913 PolarHBondContact O-ND2 2.9Å; L882-N913 VanDerWaalsContact O-ND2 3.15Å; N885-N913 WeakPolarHBondContact CA-OD1 3.16Å; N885-N913 PolarHBondContact N-OD1 3Å; S886-N913 PolarHBondContact N-OD1 3.48Å; S886-N913 VanDerWaalsContact N-OD1 3.09Å; I887-N913 HydrophobicContact CB-CB 4.04Å; I887-N913 WeakPolarHBondContact CB-OD1 3.5Å; I887-N913 WeakPolarHBondContact CG1-OD1 3.49Å; I887-N913 PolarHBondContact N-OD1 3.25Å; L910-N913 VanDerWaalsContact C-ND2 3.34Å; L910-N913 PolarHBondContact O-ND2 3.44Å; R911-N913 VanDerWaalsContact C-N 3.34Å; R911-N913 PolarHBondContact O-N 3.43Å; R911-N913 PolarHBondContact O-ND2 3.36Å; N913-I915 HydrophobicContact CB-CD1 4.21Å; N913-I915 HydrophobicContact CB-CG1 4.03Å; N913-N941 VanDerWaalsContact CA-OD1 3.31Å; N913-N941 WeakPolarHBondContact CA-OD1 3.45Å; N913-N941 VanDerWaalsContact CB-OD1 3.27Å; N913-N941 WeakPolarHBondContact CB-OD1 3.17Å; N913-N941 PolarHBondContact N-OD1 3.04Å; N913-N941 PolarHBondContact O-OD1 2.99Å
914	S	96.6	Very high	97.4	Very high	64 Å²	64	27.4 Å²	27.4	45%	0.448	15%	0.145	S	C	.	.			trans	-106.8	39.2	179.6	-53.7	0	0	0	0	110.6	I887 G916	I887-S914 CarbonylContact O-C 3.43Å; I887-S914 WeakPolarHBondContact O-CA 3.49Å; I887-S914 PolarHBondContact O-N 3.48Å; S914-G916 PolarHBondContact O-N 3.12Å
915	I	97.6	Very high	97.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.163	C	C	.	.			trans	-76.6	116.5	-178.9	-57.3	170.2	0	0	0	108.5	I887 M892 L910 N913 L938 N941 L942 L943	I887-I915 PolarHBondContact O-N 2.88Å; M892-I915 HydrophobicContact CG-CB 4.44Å; M892-I915 HydrophobicContact CG-CD1 3.94Å; M892-I915 HydrophobicContact CG-CG1 3.86Å; M892-I915 HydrophobicContact CG-CG2 3.77Å; M892-I915 HydrophobicContact SD-CD1 3.8Å; M892-I915 HydrophobicContact SD-CG1 4.4Å; L910-I915 HydrophobicContact CB-CD1 3.91Å; L910-I915 HydrophobicContact CD1-CD1 4.17Å; L910-I915 HydrophobicContact CD2-CD1 4.49Å; L910-I915 HydrophobicContact CG-CD1 4.43Å; N913-I915 HydrophobicContact CB-CD1 4.21Å; N913-I915 HydrophobicContact CB-CG1 4.03Å; I915-L938 HydrophobicContact CD1-CD2 4.09Å; I915-N941 HydrophobicContact CB-CB 4.16Å; I915-N941 VanDerWaalsContact CB-OD1 3.29Å; I915-N941 WeakPolarHBondContact CB-OD1 3.47Å; I915-N941 WeakPolarHBondContact CG1-OD1 3.27Å; I915-N941 PolarHBondContact N-OD1 3.29Å; I915-N941 VanDerWaalsContact N-OD1 3.15Å; I915-L942 CarbonylContact O-C 3.32Å; I915-L942 VanDerWaalsContact O-C 3.3Å; I915-L942 WeakPolarHBondContact O-CA 3.27Å; I915-L942 PolarHBondContact O-N 3.18Å; I915-L943 HydrophobicContact CB-CD2 4.37Å; I915-L943 HydrophobicContact CG2-CD2 3.81Å
916	G	96.9	Very high	97.4	Very high	11 Å²	11	31.8 Å²	31.8	11%	0.113	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-92.9	-171.7	177.5	0	0	0	0	0	113.4	N889 S914 E918 G919 A920 L942	N889-G916 VanDerWaalsContact OD1-CA 3.3Å; N889-G916 WeakPolarHBondContact OD1-CA 3.49Å; N889-G916 PolarHBondContact OD1-N 3.4Å; N889-G916 PolarHBondContact OD1-O 2.74Å; S914-G916 PolarHBondContact O-N 3.12Å; G916-E918 PolarHBondContact O-N 2.84Å; G916-G919 PolarHBondContact O-N 3.41Å; G916-G919 VanDerWaalsContact O-N 3.07Å; G916-A920 PolarHBondContact O-N 2.81Å; G916-L942 CarbonylContact C-O 3.53Å; G916-L942 VanDerWaalsContact CA-O 3.27Å; G916-L942 WeakPolarHBondContact CA-O 3.25Å
917	V	97.8	Very high	97.3	Very high	31 Å²	31	30 Å²	30	19%	0.188	15%	0.152	C	C	.	.	H	α-helix	trans	-50.3	-49.1	176.5	178.9	0	0	0	0	112.7	G919 A920 R921 L943 H944 D946	V917-G919 VanDerWaalsContact C-N 3.32Å; V917-G919 PolarHBondContact O-N 2.97Å; V917-A920 VanDerWaalsContact O-CB 3.26Å; V917-A920 WeakPolarHBondContact O-CB 3.46Å; V917-A920 PolarHBondContact O-N 3.37Å; V917-A920 VanDerWaalsContact O-N 3.12Å; V917-R921 VanDerWaalsContact CG1-CZ 3.48Å; V917-R921 PolarHBondContact O-N 3.09Å; V917-L943 VanDerWaalsContact CG2-O 3.27Å; V917-L943 WeakPolarHBondContact CG2-O 3.47Å; V917-H944 HydrophobicContact CG2-CB 4.12Å; V917-D946 HydrophobicContact CG1-CB 3.66Å
918	E	97.2	Very high	97.1	Very high	97 Å²	97	33.7 Å²	33.7	45%	0.453	17%	0.166	S	C	.	.	H	α-helix	trans	-63.6	-37.2	179.7	-62.6	-59.9	162.4	0	0	112.6	N889 G916 A920 R921 N922	N889-E918 HydrophobicContact CB-CB 4.23Å; G916-E918 PolarHBondContact O-N 2.84Å; E918-A920 VanDerWaalsContact C-N 3.3Å; E918-A920 PolarHBondContact O-N 3.01Å; E918-R921 PolarHBondContact O-N 2.91Å; E918-R921 IonicContact OE1-CZ 2.92Å; E918-R921 IonicContact OE1-NH1 2.68Å; E918-R921 PolarHBondContact OE1-NH1 3.14Å; E918-R921 IonicContact OE2-NH1 3.86Å; E918-R921 PolarHBondContact OE2-NH1 3.17Å; E918-N922 WeakPolarHBondContact O-CB 3.32Å; E918-N922 VanDerWaalsContact O-CG 3.28Å; E918-N922 PolarHBondContact O-N 2.84Å; E918-N922 PolarHBondContact O-ND2 3.26Å
919	G	96.9	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-36	174.5	0	0	0	0	0	112.2	N889 G916 V917 N922 M923	N889-G919 WeakPolarHBondContact OD1-CA 3.37Å; N889-G919 PolarHBondContact OD1-N 2.97Å; G916-G919 PolarHBondContact O-N 3.41Å; G916-G919 VanDerWaalsContact O-N 3.07Å; V917-G919 VanDerWaalsContact C-N 3.32Å; V917-G919 PolarHBondContact O-N 2.97Å; G919-N922 WeakPolarHBondContact O-CB 3.29Å; G919-N922 PolarHBondContact O-N 3.4Å; G919-M923 PolarHBondContact O-N 2.96Å
920	A	97.6	Very high	96.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-45	172.8	0	0	0	0	0	112.1	G916 V917 E918 N922 M923 A924 L943 I951	G916-A920 PolarHBondContact O-N 2.81Å; V917-A920 VanDerWaalsContact O-CB 3.26Å; V917-A920 WeakPolarHBondContact O-CB 3.46Å; V917-A920 PolarHBondContact O-N 3.37Å; V917-A920 VanDerWaalsContact O-N 3.12Å; E918-A920 VanDerWaalsContact C-N 3.3Å; E918-A920 PolarHBondContact O-N 3.01Å; A920-N922 VanDerWaalsContact C-N 3.32Å; A920-N922 PolarHBondContact O-N 3.37Å; A920-M923 WeakPolarHBondContact O-CB 3.27Å; A920-M923 PolarHBondContact O-N 3.19Å; A920-M923 VanDerWaalsContact O-N 3.13Å; A920-A924 PolarHBondContact O-N 3.07Å; A920-L943 HydrophobicContact CB-CB 4.33Å; A920-L943 HydrophobicContact CB-CD2 3.57Å; A920-L943 HydrophobicContact CB-CG 4.41Å; A920-I951 HydrophobicContact CB-CD1 4.11Å
921	R	97.6	Very high	96.5	Very high	80 Å²	80	40.9 Å²	40.9	30%	0.302	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-43.2	174.5	-68	-175.1	-169.2	131.3	0.5	111.5	V917 E918 M923 A924 H925 D946 A950	V917-R921 VanDerWaalsContact CG1-CZ 3.48Å; V917-R921 PolarHBondContact O-N 3.09Å; E918-R921 PolarHBondContact O-N 2.91Å; E918-R921 IonicContact OE1-CZ 2.92Å; E918-R921 IonicContact OE1-NH1 2.68Å; E918-R921 PolarHBondContact OE1-NH1 3.14Å; E918-R921 IonicContact OE2-NH1 3.86Å; E918-R921 PolarHBondContact OE2-NH1 3.17Å; R921-M923 VanDerWaalsContact C-N 3.33Å; R921-M923 PolarHBondContact O-N 2.82Å; R921-A924 WeakPolarHBondContact O-CB 3.27Å; R921-A924 PolarHBondContact O-N 3.06Å; R921-H925 PolarHBondContact O-CD2 2.9Å; R921-H925 PolarHBondContact O-N 2.92Å; R921-D946 IonicContact NH2-OD2 3.06Å; R921-A950 HydrophobicContact CB-CB 4.41Å; R921-A950 HydrophobicContact CG-CB 3.79Å
922	N	96.6	Very high	96.4	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.203	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-43.3	173.4	-77.1	-20.5	0	0	0	111.6	T893 T896 E918 G919 A920 H925 A926	T893-N922 PolarHBondContact OG1-ND2 3.42Å; T896-N922 WeakPolarHBondContact CB-O 3.43Å; T896-N922 HydrophobicContact CG2-CB 4.43Å; T896-N922 WeakPolarHBondContact CG2-O 3.38Å; T896-N922 WeakPolarHBondContact OG1-CB 3.34Å; T896-N922 PolarHBondContact OG1-O 2.74Å; E918-N922 WeakPolarHBondContact O-CB 3.32Å; E918-N922 VanDerWaalsContact O-CG 3.28Å; E918-N922 PolarHBondContact O-N 2.84Å; E918-N922 PolarHBondContact O-ND2 3.26Å; G919-N922 WeakPolarHBondContact O-CB 3.29Å; G919-N922 PolarHBondContact O-N 3.4Å; A920-N922 VanDerWaalsContact C-N 3.32Å; A920-N922 PolarHBondContact O-N 3.37Å; N922-H925 PolarHBondContact O-N 3.42Å; N922-A926 PolarHBondContact O-N 3.07Å
923	M	97	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-42.8	175.4	-172.9	58.8	85.9	0	0	111.7	M892 L899 L908 L910 G919 A920 R921 H925 A926 L927 L936	M892-M923 HydrophobicContact CE-CB 3.96Å; M892-M923 HydrophobicContact CE-CE 3.37Å; M892-M923 HydrophobicContact CE-SD 4.18Å; M892-M923 HydrophobicContact SD-CE 4.21Å; L899-M923 HydrophobicContact CD1-CE 4.14Å; L899-M923 HydrophobicContact CD1-SD 3.83Å; L908-M923 HydrophobicContact CD2-CE 3.98Å; L910-M923 HydrophobicContact CD1-CE 3.52Å; G919-M923 PolarHBondContact O-N 2.96Å; A920-M923 WeakPolarHBondContact O-CB 3.27Å; A920-M923 PolarHBondContact O-N 3.19Å; A920-M923 VanDerWaalsContact O-N 3.13Å; R921-M923 VanDerWaalsContact C-N 3.33Å; R921-M923 PolarHBondContact O-N 2.82Å; M923-H925 VanDerWaalsContact C-N 3.31Å; M923-H925 PolarHBondContact O-N 2.81Å; M923-A926 WeakPolarHBondContact O-CB 3.31Å; M923-A926 PolarHBondContact O-N 3.39Å; M923-L927 HydrophobicContact CG-CD1 4.17Å; M923-L927 HydrophobicContact CG-CG 4.35Å; M923-L927 WeakPolarHBondContact O-CG 3.27Å; M923-L927 PolarHBondContact O-N 3.09Å; M923-L936 HydrophobicContact CE-CD1 3.93Å; M923-L936 HydrophobicContact CG-CD2 3.92Å; M923-L936 HydrophobicContact SD-CD2 4.28Å
924	A	97	Very high	96.4	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-44.2	176.8	0	0	0	0	0	111.9	A920 R921 A926 L927 Q928 A950 I951 A954	A920-A924 PolarHBondContact O-N 3.07Å; R921-A924 WeakPolarHBondContact O-CB 3.27Å; R921-A924 PolarHBondContact O-N 3.06Å; A924-A926 VanDerWaalsContact C-N 3.3Å; A924-A926 PolarHBondContact O-N 2.8Å; A924-L927 PolarHBondContact O-N 3.28Å; A924-Q928 WeakPolarHBondContact O-CG 3.14Å; A924-Q928 PolarHBondContact O-N 3.41Å; A924-Q928 VanDerWaalsContact O-N 3.09Å; A924-A950 VanDerWaalsContact CB-C 3.45Å; A924-A950 HydrophobicContact CB-CB 3.98Å; A924-A950 VanDerWaalsContact CB-O 3.28Å; A924-A950 WeakPolarHBondContact CB-O 3.48Å; A924-I951 HydrophobicContact CB-CG1 4.32Å; A924-A954 HydrophobicContact CB-CB 4.02Å; A924-A954 WeakPolarHBondContact O-CB 3.24Å
925	H	95.3	Very high	96.5	Very high	102 Å²	102	38.3 Å²	38.3	47%	0.472	19%	0.189	S	C	.	.	H	α-helix	trans	-60.2	-37.4	173.9	-76.7	-61.8	0	0	0	113.1	T896 R921 N922 M923	T896-H925 HydrophobicContact CG2-CB 4.47Å; R921-H925 PolarHBondContact O-CD2 2.9Å; R921-H925 PolarHBondContact O-N 2.92Å; N922-H925 PolarHBondContact O-N 3.42Å; M923-H925 VanDerWaalsContact C-N 3.31Å; M923-H925 PolarHBondContact O-N 2.81Å
926	A	96.3	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-42.1	174.9	0	0	0	0	0	112.1	T896 L899 R900 N922 M923 A924 Q928 E929 N930	T896-A926 HydrophobicContact CG2-CB 4.13Å; L899-A926 HydrophobicContact CB-CB 3.9Å; L899-A926 HydrophobicContact CD1-CB 4.39Å; R900-A926 HydrophobicContact CG-CB 4.44Å; N922-A926 PolarHBondContact O-N 3.07Å; M923-A926 WeakPolarHBondContact O-CB 3.31Å; M923-A926 PolarHBondContact O-N 3.39Å; A924-A926 VanDerWaalsContact C-N 3.3Å; A924-A926 PolarHBondContact O-N 2.8Å; A926-Q928 VanDerWaalsContact C-N 3.25Å; A926-Q928 PolarHBondContact O-N 3.19Å; A926-E929 PolarHBondContact O-N 3.4Å; A926-N930 VanDerWaalsContact O-CB 3.28Å; A926-N930 WeakPolarHBondContact O-CB 3.21Å; A926-N930 PolarHBondContact O-N 2.81Å
927	L	96.4	Very high	96.6	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-24.4	179.5	-67.7	173.8	0	0	0	112.9	M923 A924 E929 L933 L936 I951 A954 N958	M923-L927 HydrophobicContact CG-CD1 4.17Å; M923-L927 HydrophobicContact CG-CG 4.35Å; M923-L927 WeakPolarHBondContact O-CG 3.27Å; M923-L927 PolarHBondContact O-N 3.09Å; A924-L927 PolarHBondContact O-N 3.28Å; L927-E929 PolarHBondContact O-N 3.46Å; L927-L933 HydrophobicContact CD2-CD2 4.2Å; L927-L936 HydrophobicContact CD1-CD2 4.02Å; L927-L936 HydrophobicContact CD2-CD2 4.4Å; L927-I951 HydrophobicContact CD1-CG2 4.49Å; L927-A954 HydrophobicContact CB-CB 3.97Å; L927-N958 PolarHBondContact O-ND2 2.99Å
928	Q	94.1	Very high	96.6	Very high	106 Å²	106	37.7 Å²	37.7	50%	0.495	18%	0.182	S	C	.	.	H	α-helix	trans	-64.6	-28.8	174.2	-74.1	173.6	-12.6	0	0	112.8	A924 A926 A954	A924-Q928 WeakPolarHBondContact O-CG 3.14Å; A924-Q928 PolarHBondContact O-N 3.41Å; A924-Q928 VanDerWaalsContact O-N 3.09Å; A926-Q928 VanDerWaalsContact C-N 3.25Å; A926-Q928 PolarHBondContact O-N 3.19Å; Q928-A954 HydrophobicContact CG-CB 3.83Å
929	E	93.7	Very high	96.7	Very high	82 Å²	82	33.1 Å²	33.1	38%	0.383	16%	0.161	S	C	.	.	H	α-helix	trans	-109.8	-24.5	-176.8	-64.7	179.7	-164.3	0	0	113.4	R900 A926 L927	R900-E929 HydrophobicContact CG-CB 4.47Å; R900-E929 IonicContact CZ-OE1 3.01Å; R900-E929 VanDerWaalsContact CZ-OE1 3.25Å; R900-E929 IonicContact CZ-OE2 3.44Å; R900-E929 IonicContact NE-OE1 3.77Å; R900-E929 PolarHBondContact NE-OE1 3.07Å; R900-E929 VanDerWaalsContact NE-OE1 3.15Å; R900-E929 IonicContact NE-OE2 2.96Å; R900-E929 PolarHBondContact NE-OE2 3.14Å; R900-E929 IonicContact NH2-OE1 2.91Å; R900-E929 PolarHBondContact NH2-OE1 3.34Å; R900-E929 IonicContact NH2-OE2 3.71Å; R900-E929 PolarHBondContact NH2-OE2 3.18Å; A926-E929 PolarHBondContact O-N 3.4Å; L927-E929 PolarHBondContact O-N 3.46Å
930	N	94.9	Very high	96.7	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	17%	0.172	C	C	.	.			trans	-91	122.7	-177.8	-174.4	-75	0	0	0	111.9	L899 N902 A926 S932 L933 N958	L899-N930 WeakPolarHBondContact O-CB 3.3Å; L899-N930 PolarHBondContact O-ND2 3.3Å; N902-N930 PolarHBondContact O-ND2 3.36Å; A926-N930 VanDerWaalsContact O-CB 3.28Å; A926-N930 WeakPolarHBondContact O-CB 3.21Å; A926-N930 PolarHBondContact O-N 2.81Å; N930-S932 PolarHBondContact ND2-OG 3.32Å; N930-S932 VanDerWaalsContact ND2-OG 3.14Å; N930-S932 PolarHBondContact OD1-N 3.14Å; N930-S932 PolarHBondContact OD1-OG 2.81Å; N930-L933 VanDerWaalsContact OD1-CB 3.32Å; N930-L933 WeakPolarHBondContact OD1-CB 3.39Å; N930-L933 PolarHBondContact OD1-N 3.32Å; N930-N958 PolarHBondContact O-ND2 3.47Å
931	N	93.9	Very high	96.7	Very high	84 Å²	84	34.5 Å²	34.5	45%	0.449	17%	0.172	S	C	.	.			trans	-116.7	8.3	173.6	-63.7	-57.9	0	0	0	113.4	Q959 G960	N931-Q959 PolarHBondContact OD1-N 2.59Å; N931-Q959 VanDerWaalsContact OD1-N 3.13Å; N931-G960 WeakPolarHBondContact O-CA 3.34Å
932	S	95.9	Very high	96.7	Very high	18 Å²	18	34.5 Å²	34.5	13%	0.126	18%	0.178	C	C	.	.	S	Bend	trans	-86.9	-30.9	176.7	67.8	0	0	0	0	112.5	R903 L905 N930 Q934	R903-S932 VanDerWaalsContact O-CB 3.3Å; R903-S932 WeakPolarHBondContact O-CB 3.47Å; L905-S932 CarbonylContact O-C 3.19Å; L905-S932 VanDerWaalsContact O-C 3.32Å; L905-S932 PolarHBondContact O-OG 3.32Å; L905-S932 VanDerWaalsContact O-OG 3.06Å; N930-S932 PolarHBondContact ND2-OG 3.32Å; N930-S932 VanDerWaalsContact ND2-OG 3.14Å; N930-S932 PolarHBondContact OD1-N 3.14Å; N930-S932 PolarHBondContact OD1-OG 2.81Å; S932-Q934 PolarHBondContact O-N 3.5Å
933	L	97.4	Very high	96.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.168	C	C	.	.			trans	-75.3	116.4	-177.2	-170.2	71.9	0	0	0	110.1	L905 L908 L927 N930 L936 G960 L961	L905-L933 HydrophobicContact CD2-CD1 4.42Å; L905-L933 HydrophobicContact CG-CD1 4.41Å; L905-L933 WeakPolarHBondContact O-CA 3.48Å; L905-L933 PolarHBondContact O-N 3.15Å; L908-L933 HydrophobicContact CB-CD1 3.77Å; L908-L933 HydrophobicContact CB-CD2 4.46Å; L927-L933 HydrophobicContact CD2-CD2 4.2Å; N930-L933 VanDerWaalsContact OD1-CB 3.32Å; N930-L933 WeakPolarHBondContact OD1-CB 3.39Å; N930-L933 PolarHBondContact OD1-N 3.32Å; L933-L936 HydrophobicContact CD2-CB 4.19Å; L933-L936 HydrophobicContact CD2-CD1 4.36Å; L933-G960 CarbonylContact O-C 3.54Å; L933-L961 HydrophobicContact CG-CD1 4.44Å; L933-L961 WeakPolarHBondContact O-CA 3.15Å; L933-L961 PolarHBondContact O-N 3.01Å
934	Q	97.9	Very high	96.7	Very high	89 Å²	89	36.7 Å²	36.7	42%	0.416	19%	0.187	S	C	.	.			trans	-100.8	-32.8	-179.7	-65.8	177.9	-0.2	0	0	112	V906 S932 L961 T962 S963	V906-Q934 HydrophobicContact CG1-CB 3.89Å; V906-Q934 HydrophobicContact CG1-CG 3.98Å; V906-Q934 PolarHBondContact O-N 3.3Å; S932-Q934 PolarHBondContact O-N 3.5Å; Q934-L961 WeakPolarHBondContact O-CD1 3.36Å; Q934-T962 PolarHBondContact O-N 3.04Å; Q934-T962 PolarHBondContact O-OG1 2.9Å; Q934-T962 VanDerWaalsContact O-OG1 3.09Å; Q934-S963 PolarHBondContact O-N 3.18Å
935	N	98.4	Very high	96.7	Very high	55 Å²	55	37.6 Å²	37.6	29%	0.294	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.7	-175.3	-57.4	-70.6	0	0	0	110.9	V906 S907 L908 S963	V906-N935 PolarHBondContact O-N 3.12Å; S907-N935 WeakPolarHBondContact CA-O 3.28Å; L908-N935 PolarHBondContact N-O 3.34Å; N935-S963 WeakPolarHBondContact OD1-CB 3.22Å
936	L	98.4	Very high	96.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.8	177.3	177.9	58.2	0	0	0	110.5	L908 M923 L927 L933 L938 L961 S963 L964 H965	L908-L936 HydrophobicContact CB-CD1 4.44Å; L908-L936 HydrophobicContact CD2-CD1 4.43Å; L908-L936 HydrophobicContact CG-CD1 4.47Å; M923-L936 HydrophobicContact CE-CD1 3.93Å; M923-L936 HydrophobicContact CG-CD2 3.92Å; M923-L936 HydrophobicContact SD-CD2 4.28Å; L927-L936 HydrophobicContact CD1-CD2 4.02Å; L927-L936 HydrophobicContact CD2-CD2 4.4Å; L933-L936 HydrophobicContact CD2-CB 4.19Å; L933-L936 HydrophobicContact CD2-CD1 4.36Å; L936-L938 HydrophobicContact CD1-CD1 4.47Å; L936-L938 HydrophobicContact CD1-CD2 4.4Å; L936-L938 HydrophobicContact CD1-CG 4.05Å; L936-L938 HydrophobicContact CD2-CD1 3.9Å; L936-L938 HydrophobicContact CD2-CG 4.35Å; L936-L938 HydrophobicContact CG-CD1 4.12Å; L936-L938 HydrophobicContact CG-CG 4.04Å; L936-L961 HydrophobicContact CB-CD1 3.73Å; L936-S963 PolarHBondContact N-O 2.96Å; L936-L964 HydrophobicContact CB-CD1 4.35Å; L936-L964 HydrophobicContact CD2-CD1 4.21Å; L936-L964 HydrophobicContact CG-CD1 4.28Å; L936-H965 PolarHBondContact O-N 3.07Å
937	D	98.5	Very high	96.9	Very high	27 Å²	27	36.8 Å²	36.8	14%	0.144	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.8	174.1	-174.1	-2.8	0	0	0	110.5	L908 N909 L910 T939 H965	L908-D937 PolarHBondContact O-N 3.46Å; L908-D937 VanDerWaalsContact O-N 3.08Å; N909-D937 HydrophobicContact CB-CB 4.45Å; L910-D937 CarbonylContact C-O 3.6Å; L910-D937 WeakPolarHBondContact CA-O 3.42Å; L910-D937 PolarHBondContact N-O 2.9Å; D937-T939 WeakPolarHBondContact OD1-CB 3.49Å; D937-T939 PolarHBondContact OD1-N 3.16Å; D937-T939 PolarHBondContact OD1-OG1 3.5Å; D937-H965 HydrophobicContact CB-CB 4.28Å; D937-H965 WeakPolarHBondContact OD1-CB 3.37Å
938	L	98.2	Very high	97	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.19	C	C	.	.			trans	-116.5	19.2	176.8	-70.5	167.8	0	0	0	111.7	L910 I915 L936 N941 L943 I951 H965 L966 N969	L910-L938 HydrophobicContact CB-CD2 4.05Å; L910-L938 HydrophobicContact CD1-CD2 3.95Å; I915-L938 HydrophobicContact CD1-CD2 4.09Å; L936-L938 HydrophobicContact CD1-CD1 4.47Å; L936-L938 HydrophobicContact CD1-CD2 4.4Å; L936-L938 HydrophobicContact CD1-CG 4.05Å; L936-L938 HydrophobicContact CD2-CD1 3.9Å; L936-L938 HydrophobicContact CD2-CG 4.35Å; L936-L938 HydrophobicContact CG-CD1 4.12Å; L936-L938 HydrophobicContact CG-CG 4.04Å; L938-N941 PolarHBondContact O-ND2 3.16Å; L938-L943 HydrophobicContact CB-CD1 4.07Å; L938-L943 HydrophobicContact CD1-CD1 4.21Å; L938-I951 HydrophobicContact CD1-CD1 3.71Å; L938-H965 PolarHBondContact N-O 2.77Å; L938-L966 HydrophobicContact CB-CD2 4.18Å; L938-L966 HydrophobicContact CD1-CD2 4.26Å; L938-N969 PolarHBondContact O-ND2 2.86Å
939	T	98.1	Very high	97.2	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.182	C	C	.	.			trans	-55.2	144.3	-178.3	-60.4	0	0	0	0	112.7	R911 E912 D937 N941 Q967	R911-T939 CarbonylContact C-O 3.37Å; R911-T939 WeakPolarHBondContact CA-O 3.24Å; R911-T939 HydrophobicContact CG-CG2 4.22Å; E912-T939 PolarHBondContact N-O 3Å; D937-T939 WeakPolarHBondContact OD1-CB 3.49Å; D937-T939 PolarHBondContact OD1-N 3.16Å; D937-T939 PolarHBondContact OD1-OG1 3.5Å; T939-N941 PolarHBondContact O-ND2 3.45Å; T939-Q967 CarbonylContact C-O 3.24Å; T939-Q967 WeakPolarHBondContact CA-O 3.13Å; T939-Q967 HydrophobicContact CG2-CB 3.66Å; T939-Q967 HydrophobicContact CG2-CG 4.23Å
940	A	97.5	Very high	97.4	Very high	29 Å²	29	32.5 Å²	32.5	24%	0.24	18%	0.175	C	C	.	.	S	Bend	trans	57.1	56.1	174.2	0	0	0	0	0	112.1	E912 Q967 W968	E912-A940 WeakPolarHBondContact CA-O 3.15Å; E912-A940 HydrophobicContact CG-CB 3.76Å; E912-A940 PolarHBondContact N-O 2.9Å; A940-Q967 PolarHBondContact N-O 3Å; A940-W968 VanDerWaalsContact CA-O 3.25Å; A940-W968 WeakPolarHBondContact CA-O 3.19Å; A940-W968 HydrophobicContact CB-CB 4.1Å
941	N	98.1	Very high	97.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.011	17%	0.174	C	C	.	.	S	Bend	trans	-125.1	-170.6	171.6	-79.5	-81.5	0	0	0	109.1	L910 N913 I915 L938 T939 L943 W968 N969	L910-N941 PolarHBondContact O-ND2 3.26Å; N913-N941 VanDerWaalsContact CA-OD1 3.31Å; N913-N941 WeakPolarHBondContact CA-OD1 3.45Å; N913-N941 VanDerWaalsContact CB-OD1 3.27Å; N913-N941 WeakPolarHBondContact CB-OD1 3.17Å; N913-N941 PolarHBondContact N-OD1 3.04Å; N913-N941 PolarHBondContact O-OD1 2.99Å; I915-N941 HydrophobicContact CB-CB 4.16Å; I915-N941 VanDerWaalsContact CB-OD1 3.29Å; I915-N941 WeakPolarHBondContact CB-OD1 3.47Å; I915-N941 WeakPolarHBondContact CG1-OD1 3.27Å; I915-N941 PolarHBondContact N-OD1 3.29Å; I915-N941 VanDerWaalsContact N-OD1 3.15Å; L938-N941 PolarHBondContact O-ND2 3.16Å; T939-N941 PolarHBondContact O-ND2 3.45Å; N941-L943 HydrophobicContact CB-CD2 4.31Å; N941-L943 HydrophobicContact CB-CG 4.22Å; N941-W968 PolarHBondContact N-O 2.83Å; N941-N969 VanDerWaalsContact CA-OD1 3.29Å; N941-N969 WeakPolarHBondContact CA-OD1 3.34Å; N941-N969 VanDerWaalsContact CB-OD1 3.24Å; N941-N969 WeakPolarHBondContact CB-OD1 3.39Å; N941-N969 PolarHBondContact N-OD1 3.43Å; N941-N969 VanDerWaalsContact N-OD1 3.15Å; N941-N969 PolarHBondContact O-OD1 3.3Å
942	L	97.1	Very high	97.7	Very high	79 Å²	79	28.5 Å²	28.5	41%	0.414	15%	0.153	S	C	.	.	B	Isolated β-bridge	trans	-114.6	42.8	-175	-53.5	177.9	0	0	0	110.7	I915 G916 H944 F970	I915-L942 CarbonylContact O-C 3.32Å; I915-L942 VanDerWaalsContact O-C 3.3Å; I915-L942 WeakPolarHBondContact O-CA 3.27Å; I915-L942 PolarHBondContact O-N 3.18Å; G916-L942 CarbonylContact C-O 3.53Å; G916-L942 VanDerWaalsContact CA-O 3.27Å; G916-L942 WeakPolarHBondContact CA-O 3.25Å; L942-H944 PolarHBondContact O-CD2 2.93Å; L942-H944 PolarHBondContact O-N 2.97Å; L942-F970 HydrophobicContact CD2-CD2 4.28Å; L942-F970 HydrophobicContact CD2-CE2 3.65Å
943	L	97.3	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.			trans	-69.5	-35.3	-171.3	-54.9	175.7	0	0	0	112.7	I915 V917 A920 L938 N941 G947 V948 I951 L966 N969	I915-L943 HydrophobicContact CB-CD2 4.37Å; I915-L943 HydrophobicContact CG2-CD2 3.81Å; V917-L943 VanDerWaalsContact CG2-O 3.27Å; V917-L943 WeakPolarHBondContact CG2-O 3.47Å; A920-L943 HydrophobicContact CB-CB 4.33Å; A920-L943 HydrophobicContact CB-CD2 3.57Å; A920-L943 HydrophobicContact CB-CG 4.41Å; L938-L943 HydrophobicContact CB-CD1 4.07Å; L938-L943 HydrophobicContact CD1-CD1 4.21Å; N941-L943 HydrophobicContact CB-CD2 4.31Å; N941-L943 HydrophobicContact CB-CG 4.22Å; L943-G947 WeakPolarHBondContact O-CA 3.39Å; L943-G947 PolarHBondContact O-N 3.26Å; L943-V948 HydrophobicContact CB-CG2 3.94Å; L943-V948 HydrophobicContact CD1-CG2 4.12Å; L943-I951 HydrophobicContact CD1-CD1 4.26Å; L943-L966 HydrophobicContact CD1-CD2 3.65Å; L943-N969 HydrophobicContact CB-CB 4.3Å; L943-N969 HydrophobicContact CD1-CB 4.31Å; L943-N969 WeakPolarHBondContact CD1-OD1 3.45Å; L943-N969 HydrophobicContact CG-CB 4.41Å; L943-N969 WeakPolarHBondContact CG-OD1 3.45Å
944	H	96.9	Very high	97.6	Very high	85 Å²	85	29.4 Å²	29.4	39%	0.394	17%	0.166	S	C	.	.	H	α-helix	trans	53.1	-176.7	-173.3	-61.3	-78.7	0	0	0	113.1	V917 L942 G947 V948 N969 F970	V917-H944 HydrophobicContact CG2-CB 4.12Å; L942-H944 PolarHBondContact O-CD2 2.93Å; L942-H944 PolarHBondContact O-N 2.97Å; H944-G947 PolarHBondContact O-N 2.8Å; H944-V948 WeakPolarHBondContact O-CG2 3.27Å; H944-V948 PolarHBondContact O-N 3.48Å; H944-N969 WeakPolarHBondContact CA-O 3.13Å; H944-N969 PolarHBondContact N-O 3.43Å; H944-F970 AromaticContact CE1-CG 3.97Å
945	D	97.5	Very high	97.5	Very high	22 Å²	22	25.3 Å²	25.3	12%	0.118	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-51	-176.6	-79.1	9	0	0	0	112.3	G947 V948 Q949 K972 T974 A975	D945-G947 VanDerWaalsContact C-N 3.25Å; D945-G947 PolarHBondContact O-N 3.2Å; D945-V948 PolarHBondContact O-N 3.26Å; D945-V948 VanDerWaalsContact O-N 3.14Å; D945-Q949 WeakPolarHBondContact O-CB 3.37Å; D945-Q949 VanDerWaalsContact O-CG 3.26Å; D945-Q949 WeakPolarHBondContact O-CG 3.42Å; D945-Q949 PolarHBondContact O-N 3.04Å; D945-K972 PolarHBondContact OD1-N 3.19Å; D945-K972 WeakPolarHBondContact OD2-CB 3.3Å; D945-T974 WeakPolarHBondContact CB-OG1 3.16Å; D945-T974 VanDerWaalsContact CG-OG1 3.3Å; D945-T974 PolarHBondContact OD2-OG1 2.99Å; D945-A975 HydrophobicContact CB-CB 3.94Å
946	D	97.4	Very high	97.3	Very high	87 Å²	87	28.7 Å²	28.7	47%	0.465	16%	0.156	S	C	.	.	H	α-helix	trans	-56.9	-38.1	-177.4	-66.6	-2.2	0	0	0	113.1	V917 R921 A950	V917-D946 HydrophobicContact CG1-CB 3.66Å; R921-D946 IonicContact NH2-OD2 3.06Å; D946-A950 PolarHBondContact O-N 3.14Å
947	G	97.4	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.5	-42.6	179.7	0	0	0	0	0	111.9	L943 H944 D945 A950 I951	L943-G947 WeakPolarHBondContact O-CA 3.39Å; L943-G947 PolarHBondContact O-N 3.26Å; H944-G947 PolarHBondContact O-N 2.8Å; D945-G947 VanDerWaalsContact C-N 3.25Å; D945-G947 PolarHBondContact O-N 3.2Å; G947-A950 WeakPolarHBondContact O-CB 3.49Å; G947-A950 PolarHBondContact O-N 3.47Å; G947-I951 PolarHBondContact O-N 2.9Å
948	V	98	Very high	96.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-72.1	-33.4	178.1	175.5	0	0	0	0	111.8	L943 H944 D945 A950 I951 A952 L966 I971 A975 L979	L943-V948 HydrophobicContact CB-CG2 3.94Å; L943-V948 HydrophobicContact CD1-CG2 4.12Å; H944-V948 WeakPolarHBondContact O-CG2 3.27Å; H944-V948 PolarHBondContact O-N 3.48Å; D945-V948 PolarHBondContact O-N 3.26Å; D945-V948 VanDerWaalsContact O-N 3.14Å; V948-A950 VanDerWaalsContact C-N 3.31Å; V948-A950 PolarHBondContact O-N 3.21Å; V948-I951 PolarHBondContact O-N 2.94Å; V948-A952 WeakPolarHBondContact O-CB 3.45Å; V948-A952 PolarHBondContact O-N 3.37Å; V948-L966 HydrophobicContact CG1-CD1 4.02Å; V948-L966 HydrophobicContact CG2-CD2 4.37Å; V948-I971 HydrophobicContact CG1-CD1 4.29Å; V948-I971 HydrophobicContact CG2-CD1 3.74Å; V948-I971 HydrophobicContact CG2-CG1 3.86Å; V948-A975 HydrophobicContact CB-CB 3.87Å; V948-A975 HydrophobicContact CG1-CB 3.91Å; V948-L979 HydrophobicContact CG1-CD1 3.64Å; V948-L979 HydrophobicContact CG1-CD2 4.24Å; V948-L979 HydrophobicContact CG1-CG 3.91Å
949	Q	98.2	Very high	96.5	Very high	71 Å²	71	39 Å²	39	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-59.7	-41.6	171.5	-73.6	177	6.5	0	0	111.6	D945 A952 G953 T974 A975 A978	D945-Q949 WeakPolarHBondContact O-CB 3.37Å; D945-Q949 VanDerWaalsContact O-CG 3.26Å; D945-Q949 WeakPolarHBondContact O-CG 3.42Å; D945-Q949 PolarHBondContact O-N 3.04Å; Q949-A952 PolarHBondContact O-N 3.15Å; Q949-G953 PolarHBondContact O-N 3.03Å; Q949-T974 PolarHBondContact NE2-OG1 3.4Å; Q949-A975 HydrophobicContact CG-CB 4.28Å; Q949-A978 HydrophobicContact CB-CB 4.25Å; Q949-A978 HydrophobicContact CG-CB 3.84Å
950	A	97.9	Very high	96.4	Very high	28 Å²	28	39.4 Å²	39.4	23%	0.231	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-45.4	174.6	0	0	0	0	0	111.5	R921 A924 D946 G947 V948 A952 G953 A954	R921-A950 HydrophobicContact CB-CB 4.41Å; R921-A950 HydrophobicContact CG-CB 3.79Å; A924-A950 VanDerWaalsContact CB-C 3.45Å; A924-A950 HydrophobicContact CB-CB 3.98Å; A924-A950 VanDerWaalsContact CB-O 3.28Å; A924-A950 WeakPolarHBondContact CB-O 3.48Å; D946-A950 PolarHBondContact O-N 3.14Å; G947-A950 WeakPolarHBondContact O-CB 3.49Å; G947-A950 PolarHBondContact O-N 3.47Å; V948-A950 VanDerWaalsContact C-N 3.31Å; V948-A950 PolarHBondContact O-N 3.21Å; A950-A952 VanDerWaalsContact C-N 3.34Å; A950-A952 PolarHBondContact O-N 2.95Å; A950-G953 PolarHBondContact O-N 2.85Å; A950-A954 PolarHBondContact O-N 2.89Å; A950-A954 VanDerWaalsContact O-N 3.15Å
951	I	97.9	Very high	96.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-43.8	176	-69.9	170.7	0	0	0	110.9	A920 A924 L927 L938 L943 G947 V948 G953 A954 I955 L964	A920-I951 HydrophobicContact CB-CD1 4.11Å; A924-I951 HydrophobicContact CB-CG1 4.32Å; L927-I951 HydrophobicContact CD1-CG2 4.49Å; L938-I951 HydrophobicContact CD1-CD1 3.71Å; L943-I951 HydrophobicContact CD1-CD1 4.26Å; G947-I951 PolarHBondContact O-N 2.9Å; V948-I951 PolarHBondContact O-N 2.94Å; I951-G953 VanDerWaalsContact C-N 3.32Å; I951-G953 PolarHBondContact O-N 3.14Å; I951-A954 WeakPolarHBondContact O-CB 3.29Å; I951-A954 PolarHBondContact O-N 3.01Å; I951-A954 VanDerWaalsContact O-N 3.11Å; I951-I955 HydrophobicContact CG2-CD1 3.53Å; I951-I955 HydrophobicContact CG2-CG1 4.22Å; I951-I955 VanDerWaalsContact O-CG1 3.3Å; I951-I955 WeakPolarHBondContact O-CG1 3.18Å; I951-I955 PolarHBondContact O-N 2.99Å; I951-L964 HydrophobicContact CG2-CD2 4.3Å
952	A	97.4	Very high	96.4	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-43.2	175.6	0	0	0	0	0	112	V948 Q949 A950 A954 I955 R956 A978 L979 A982	V948-A952 WeakPolarHBondContact O-CB 3.45Å; V948-A952 PolarHBondContact O-N 3.37Å; Q949-A952 PolarHBondContact O-N 3.15Å; A950-A952 VanDerWaalsContact C-N 3.34Å; A950-A952 PolarHBondContact O-N 2.95Å; A952-A954 VanDerWaalsContact C-N 3.26Å; A952-A954 PolarHBondContact O-N 3.12Å; A952-I955 PolarHBondContact O-N 2.93Å; A952-R956 PolarHBondContact O-N 2.86Å; A952-R956 VanDerWaalsContact O-N 3.12Å; A952-A978 HydrophobicContact CB-CB 3.91Å; A952-L979 HydrophobicContact CB-CD2 3.84Å; A952-L979 HydrophobicContact CB-CG 4.13Å; A952-A982 HydrophobicContact CB-CB 4.27Å; A952-A982 WeakPolarHBondContact O-CB 3.2Å
953	G	96.3	Very high	96.4	Very high	38 Å²	38	36.3 Å²	36.3	39%	0.392	19%	0.188	S	C	.	.	H	α-helix	trans	-58.3	-36	174.8	0	0	0	0	0	113.3	Q949 A950 I951	Q949-G953 PolarHBondContact O-N 3.03Å; A950-G953 PolarHBondContact O-N 2.85Å; I951-G953 VanDerWaalsContact C-N 3.32Å; I951-G953 PolarHBondContact O-N 3.14Å
954	A	96.4	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-74.8	-43.2	174.8	0	0	0	0	0	112.9	A924 L927 Q928 A950 I951 A952 R956 F957 N958	A924-A954 HydrophobicContact CB-CB 4.02Å; A924-A954 WeakPolarHBondContact O-CB 3.24Å; L927-A954 HydrophobicContact CB-CB 3.97Å; Q928-A954 HydrophobicContact CG-CB 3.83Å; A950-A954 PolarHBondContact O-N 2.89Å; A950-A954 VanDerWaalsContact O-N 3.15Å; I951-A954 WeakPolarHBondContact O-CB 3.29Å; I951-A954 PolarHBondContact O-N 3.01Å; I951-A954 VanDerWaalsContact O-N 3.11Å; A952-A954 VanDerWaalsContact C-N 3.26Å; A952-A954 PolarHBondContact O-N 3.12Å; A954-R956 PolarHBondContact O-N 3.24Å; A954-F957 PolarHBondContact O-N 2.89Å; A954-F957 VanDerWaalsContact O-N 3.13Å; A954-N958 PolarHBondContact O-N 2.85Å
955	I	95.1	Very high	96.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-32.9	-180	-70.7	163.5	0	0	0	112	I951 A952 F957 N958 L961 L964 L979 A982 N986 I989	I951-I955 HydrophobicContact CG2-CD1 3.53Å; I951-I955 HydrophobicContact CG2-CG1 4.22Å; I951-I955 VanDerWaalsContact O-CG1 3.3Å; I951-I955 WeakPolarHBondContact O-CG1 3.18Å; I951-I955 PolarHBondContact O-N 2.99Å; A952-I955 PolarHBondContact O-N 2.93Å; I955-F957 PolarHBondContact O-N 2.9Å; I955-N958 PolarHBondContact O-N 2.9Å; I955-L961 HydrophobicContact CG1-CD2 4.49Å; I955-L964 HydrophobicContact CD1-CD2 3.31Å; I955-L979 HydrophobicContact CD1-CD2 4.3Å; I955-A982 HydrophobicContact CB-CB 4.5Å; I955-A982 HydrophobicContact CG2-CB 4.41Å; I955-N986 HydrophobicContact CG2-CB 4.23Å; I955-N986 PolarHBondContact O-ND2 3.16Å; I955-I989 HydrophobicContact CG2-CD1 4.48Å; I955-I989 HydrophobicContact CG2-CG1 3.9Å
956	R	93.5	Very high	96.6	Very high	126 Å²	126	33.4 Å²	33.4	48%	0.475	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-34.7	176.8	-174.4	177.6	-179	-177	-0.5	113	A952 A954 A982	A952-R956 PolarHBondContact O-N 2.86Å; A952-R956 VanDerWaalsContact O-N 3.12Å; A954-R956 PolarHBondContact O-N 3.24Å; R956-A982 HydrophobicContact CB-CB 4.21Å
957	F	91.8	Very high	96.6	Very high	135 Å²	135	30.4 Å²	30.4	59%	0.592	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	-19.1	-177.7	-55.8	-71.3	0	0	0	113.8	A954 I955 Q959	A954-F957 PolarHBondContact O-N 2.89Å; A954-F957 VanDerWaalsContact O-N 3.13Å; I955-F957 PolarHBondContact O-N 2.9Å; F957-Q959 PolarHBondContact O-N 3.41Å; F957-Q959 PolarHBondContact O-NE2 2.76Å; F957-Q959 VanDerWaalsContact O-NE2 3.08Å
958	N	94.8	Very high	96.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	18%	0.183	C	C	.	.			trans	-61	135.4	-179.8	-175	-86.5	0	0	0	111.6	L927 N930 A954 I955 G960 L961 N986	L927-N958 PolarHBondContact O-ND2 2.99Å; N930-N958 PolarHBondContact O-ND2 3.47Å; A954-N958 PolarHBondContact O-N 2.85Å; I955-N958 PolarHBondContact O-N 2.9Å; N958-G960 PolarHBondContact OD1-N 3.4Å; N958-L961 VanDerWaalsContact OD1-CB 3.29Å; N958-L961 WeakPolarHBondContact OD1-CB 3.39Å; N958-L961 PolarHBondContact OD1-N 3.21Å; N958-N986 PolarHBondContact O-ND2 3.06Å; N958-N986 VanDerWaalsContact O-ND2 3.12Å
959	Q	92.8	Very high	96.5	Very high	108 Å²	108	37.3 Å²	37.3	51%	0.505	18%	0.183	S	C	.	.	S	Bend	trans	-115	4.1	-177.9	-58.7	-58.6	-42.7	0	0	113.3	N931 F957	N931-Q959 PolarHBondContact OD1-N 2.59Å; N931-Q959 VanDerWaalsContact OD1-N 3.13Å; F957-Q959 PolarHBondContact O-N 3.41Å; F957-Q959 PolarHBondContact O-NE2 2.76Å; F957-Q959 VanDerWaalsContact O-NE2 3.08Å
960	G	94.7	Very high	96.4	Very high	10 Å²	10	39.4 Å²	39.4	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-104.3	-38.3	-177.3	0	0	0	0	0	113.9	N931 L933 N958 T962	N931-G960 WeakPolarHBondContact O-CA 3.34Å; L933-G960 CarbonylContact O-C 3.54Å; N958-G960 PolarHBondContact OD1-N 3.4Å; G960-T962 PolarHBondContact O-N 2.73Å
961	L	97.6	Very high	96.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.18	C	C	.	.			trans	-75.2	125.8	-168.9	-163.6	71.5	0	0	0	110.7	L933 Q934 L936 I955 N958 L964 T988 I989	L933-L961 HydrophobicContact CG-CD1 4.44Å; L933-L961 WeakPolarHBondContact O-CA 3.15Å; L933-L961 PolarHBondContact O-N 3.01Å; Q934-L961 WeakPolarHBondContact O-CD1 3.36Å; L936-L961 HydrophobicContact CB-CD1 3.73Å; I955-L961 HydrophobicContact CG1-CD2 4.49Å; N958-L961 VanDerWaalsContact OD1-CB 3.29Å; N958-L961 WeakPolarHBondContact OD1-CB 3.39Å; N958-L961 PolarHBondContact OD1-N 3.21Å; L961-L964 HydrophobicContact CD2-CB 4.23Å; L961-L964 HydrophobicContact CD2-CD1 4.31Å; L961-T988 CarbonylContact O-C 3.44Å; L961-T988 WeakPolarHBondContact O-CB 3.23Å; L961-T988 PolarHBondContact O-OG1 2.88Å; L961-I989 HydrophobicContact CB-CD1 3.97Å; L961-I989 HydrophobicContact CD2-CD1 3.88Å; L961-I989 HydrophobicContact CG-CD1 3.81Å; L961-I989 VanDerWaalsContact O-CD1 3.29Å; L961-I989 WeakPolarHBondContact O-CD1 3.38Å; L961-I989 PolarHBondContact O-N 3.36Å
962	T	98.1	Very high	96.3	Very high	34 Å²	34	43.7 Å²	43.7	21%	0.209	20%	0.204	C	C	.	.			trans	-113.7	-29.5	-179.9	59.3	0	0	0	0	112.4	Q934 G960 T988 Q990 L991	Q934-T962 PolarHBondContact O-N 3.04Å; Q934-T962 PolarHBondContact O-OG1 2.9Å; Q934-T962 VanDerWaalsContact O-OG1 3.09Å; G960-T962 PolarHBondContact O-N 2.73Å; T962-T988 WeakPolarHBondContact CA-O 3.46Å; T962-Q990 PolarHBondContact O-N 2.91Å; T962-L991 PolarHBondContact O-N 3.04Å
963	S	98.5	Very high	96.2	Very high	10 Å²	10	45.7 Å²	45.7	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.2	-179.5	-163.6	0	0	0	0	111.2	Q934 N935 L936 H965	Q934-S963 PolarHBondContact O-N 3.18Å; N935-S963 WeakPolarHBondContact OD1-CB 3.22Å; L936-S963 PolarHBondContact N-O 2.96Å; S963-H965 PolarHBondContact OG-NE2 2.88Å
964	L	98.4	Very high	96.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.3	178.2	178.6	63	0	0	0	111.3	L936 I951 I955 L961 L966 I989 L991 L992 D993	L936-L964 HydrophobicContact CB-CD1 4.35Å; L936-L964 HydrophobicContact CD2-CD1 4.21Å; L936-L964 HydrophobicContact CG-CD1 4.28Å; I951-L964 HydrophobicContact CG2-CD2 4.3Å; I955-L964 HydrophobicContact CD1-CD2 3.31Å; L961-L964 HydrophobicContact CD2-CB 4.23Å; L961-L964 HydrophobicContact CD2-CD1 4.31Å; L964-L966 HydrophobicContact CD1-CD2 4.31Å; L964-L966 HydrophobicContact CD1-CG 4.13Å; L964-L966 HydrophobicContact CD2-CD1 3.77Å; L964-L966 HydrophobicContact CD2-CG 4.23Å; L964-L966 HydrophobicContact CG-CD1 4.02Å; L964-L966 HydrophobicContact CG-CG 3.93Å; L964-I989 HydrophobicContact CB-CD1 4.39Å; L964-L991 PolarHBondContact N-O 2.97Å; L964-L992 HydrophobicContact CB-CD1 4.37Å; L964-L992 HydrophobicContact CD2-CD1 4.12Å; L964-L992 HydrophobicContact CG-CD1 4.35Å; L964-D993 PolarHBondContact O-N 2.9Å
965	H	98.6	Very high	96.2	Very high	44 Å²	44	47.1 Å²	47.1	20%	0.204	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.4	176.3	-52.1	-97	0	0	0	111.4	L936 D937 L938 S963 L991 D993	L936-H965 PolarHBondContact O-N 3.07Å; D937-H965 HydrophobicContact CB-CB 4.28Å; D937-H965 WeakPolarHBondContact OD1-CB 3.37Å; L938-H965 PolarHBondContact N-O 2.77Å; S963-H965 PolarHBondContact OG-NE2 2.88Å; H965-L991 VanDerWaalsContact CE1-CD2 3.43Å; H965-L991 WeakPolarHBondContact CE1-CD2 3.15Å; H965-D993 HydrophobicContact CB-CB 4.36Å; H965-D993 IonicContact CE1-OD2 3.87Å; H965-D993 IonicContact ND1-OD2 3.54Å; H965-D993 PolarHBondContact ND1-OD2 3.42Å
966	L	98.1	Very high	96.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.218	C	C	.	.			trans	-132.5	19.3	-174.1	-71.7	174.6	0	0	0	112.1	L938 L943 V948 L964 N969 I971 L979 D993 L994 N997	L938-L966 HydrophobicContact CB-CD2 4.18Å; L938-L966 HydrophobicContact CD1-CD2 4.26Å; L943-L966 HydrophobicContact CD1-CD2 3.65Å; V948-L966 HydrophobicContact CG1-CD1 4.02Å; V948-L966 HydrophobicContact CG2-CD2 4.37Å; L964-L966 HydrophobicContact CD1-CD2 4.31Å; L964-L966 HydrophobicContact CD1-CG 4.13Å; L964-L966 HydrophobicContact CD2-CD1 3.77Å; L964-L966 HydrophobicContact CD2-CG 4.23Å; L964-L966 HydrophobicContact CG-CD1 4.02Å; L964-L966 HydrophobicContact CG-CG 3.93Å; L966-N969 VanDerWaalsContact C-ND2 3.3Å; L966-N969 PolarHBondContact O-ND2 3.39Å; L966-I971 HydrophobicContact CB-CD1 3.85Å; L966-I971 HydrophobicContact CD1-CD1 4.45Å; L966-L979 HydrophobicContact CD1-CD1 4.15Å; L966-L979 HydrophobicContact CD1-CD2 4.43Å; L966-D993 WeakPolarHBondContact CA-O 3.46Å; L966-D993 PolarHBondContact N-O 2.69Å; L966-L994 HydrophobicContact CB-CD2 3.96Å; L966-L994 HydrophobicContact CD1-CD2 4.09Å; L966-N997 PolarHBondContact O-ND2 2.9Å
967	Q	96.8	Very high	96.4	Very high	25 Å²	25	45.5 Å²	45.5	12%	0.117	22%	0.215	C	C	.	.			trans	-57.9	150.7	179.8	-39.2	172.9	-29.2	0	0	111.2	T939 A940 N969 D993 Q995	T939-Q967 CarbonylContact C-O 3.24Å; T939-Q967 WeakPolarHBondContact CA-O 3.13Å; T939-Q967 HydrophobicContact CG2-CB 3.66Å; T939-Q967 HydrophobicContact CG2-CG 4.23Å; A940-Q967 PolarHBondContact N-O 3Å; Q967-N969 PolarHBondContact O-N 3.17Å; Q967-N969 PolarHBondContact O-ND2 3.03Å; Q967-D993 VanDerWaalsContact CG-OD1 3.23Å; Q967-D993 WeakPolarHBondContact CG-OD1 3.4Å; Q967-D993 PolarHBondContact NE2-OD1 3.48Å; Q967-D993 PolarHBondContact NE2-OD2 3.31Å; Q967-Q995 WeakPolarHBondContact CA-O 3.34Å; Q967-Q995 HydrophobicContact CB-CB 4.34Å; Q967-Q995 WeakPolarHBondContact CB-O 3.42Å; Q967-Q995 HydrophobicContact CG-CB 4.02Å
968	W	96.5	Very high	96.7	Very high	144 Å²	144	40 Å²	40	55%	0.545	20%	0.195	S	C	.	.	S	Bend	trans	52.5	52.6	174.7	-68.1	88.6	0	0	0	114.2	A940 N941 Q995 E996	A940-W968 VanDerWaalsContact CA-O 3.25Å; A940-W968 WeakPolarHBondContact CA-O 3.19Å; A940-W968 HydrophobicContact CB-CB 4.1Å; N941-W968 PolarHBondContact N-O 2.83Å; W968-Q995 PolarHBondContact N-O 2.84Å; W968-E996 HydrophobicContact CD2-CB 3.85Å; W968-E996 HydrophobicContact CG-CB 4Å; W968-E996 HydrophobicContact CZ2-CB 3.79Å; W968-E996 HydrophobicContact CZ2-CG 3.87Å; W968-E996 VanDerWaalsContact NE1-CG 3.34Å
969	N	97.6	Very high	96.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-123.5	15	-178.4	-86	-67.5	0	0	0	114.1	L938 N941 L943 H944 L966 Q967 I971 N997	L938-N969 PolarHBondContact O-ND2 2.86Å; N941-N969 VanDerWaalsContact CA-OD1 3.29Å; N941-N969 WeakPolarHBondContact CA-OD1 3.34Å; N941-N969 VanDerWaalsContact CB-OD1 3.24Å; N941-N969 WeakPolarHBondContact CB-OD1 3.39Å; N941-N969 PolarHBondContact N-OD1 3.43Å; N941-N969 VanDerWaalsContact N-OD1 3.15Å; N941-N969 PolarHBondContact O-OD1 3.3Å; L943-N969 HydrophobicContact CB-CB 4.3Å; L943-N969 HydrophobicContact CD1-CB 4.31Å; L943-N969 WeakPolarHBondContact CD1-OD1 3.45Å; L943-N969 HydrophobicContact CG-CB 4.41Å; L943-N969 WeakPolarHBondContact CG-OD1 3.45Å; H944-N969 WeakPolarHBondContact CA-O 3.13Å; H944-N969 PolarHBondContact N-O 3.43Å; L966-N969 VanDerWaalsContact C-ND2 3.3Å; L966-N969 PolarHBondContact O-ND2 3.39Å; Q967-N969 PolarHBondContact O-N 3.17Å; Q967-N969 PolarHBondContact O-ND2 3.03Å; N969-I971 HydrophobicContact CB-CD1 3.95Å; N969-I971 HydrophobicContact CB-CG1 3.83Å; N969-I971 PolarHBondContact O-N 3.35Å; N969-N997 PolarHBondContact N-OD1 3.01Å
970	F	96.1	Very high	97	Very high	116 Å²	116	35.2 Å²	35.2	51%	0.509	17%	0.173	S	C	.	.			trans	57.5	37.1	-177.2	-53.6	-84.7	0	0	0	112.7	L942 H944 N997	L942-F970 HydrophobicContact CD2-CD2 4.28Å; L942-F970 HydrophobicContact CD2-CE2 3.65Å; H944-F970 AromaticContact CE1-CG 3.97Å; F970-N997 PolarHBondContact N-OD1 3.17Å
971	I	96.6	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.			trans	-79.3	133.8	179.6	-56.2	173.6	0	0	0	109.7	V948 L966 N969 A975 L994 N997 T998 I999	V948-I971 HydrophobicContact CG1-CD1 4.29Å; V948-I971 HydrophobicContact CG2-CD1 3.74Å; V948-I971 HydrophobicContact CG2-CG1 3.86Å; L966-I971 HydrophobicContact CB-CD1 3.85Å; L966-I971 HydrophobicContact CD1-CD1 4.45Å; N969-I971 HydrophobicContact CB-CD1 3.95Å; N969-I971 HydrophobicContact CB-CG1 3.83Å; N969-I971 PolarHBondContact O-N 3.35Å; I971-A975 HydrophobicContact CG2-CB 3.74Å; I971-L994 HydrophobicContact CD1-CD2 3.98Å; I971-N997 HydrophobicContact CB-CB 3.87Å; I971-N997 WeakPolarHBondContact CB-OD1 3.4Å; I971-N997 WeakPolarHBondContact CG1-OD1 3.42Å; I971-N997 PolarHBondContact N-OD1 3.25Å; I971-T998 CarbonylContact O-C 3.57Å; I971-T998 VanDerWaalsContact O-C 3.25Å; I971-T998 PolarHBondContact O-N 3.21Å; I971-I999 HydrophobicContact CG2-CG1 4.49Å; I971-I999 PolarHBondContact O-N 3.3Å
972	K	96.2	Very high	97.1	Very high	118 Å²	118	40.1 Å²	40.1	51%	0.513	20%	0.195	S	C	.	.			trans	-117.6	-174.3	173.8	-51.2	178.4	-179.6	178.1	0	110.8	D945 T974 A975 T976 T998	D945-K972 PolarHBondContact OD1-N 3.19Å; D945-K972 WeakPolarHBondContact OD2-CB 3.3Å; K972-T974 VanDerWaalsContact C-N 3.26Å; K972-T974 PolarHBondContact O-N 2.7Å; K972-T974 VanDerWaalsContact O-N 3.17Å; K972-A975 PolarHBondContact O-N 2.77Å; K972-T976 PolarHBondContact O-N 3.39Å; K972-T976 PolarHBondContact O-OG1 2.98Å; K972-T998 WeakPolarHBondContact CA-O 3.49Å
973	S	95.3	Very high	97	Very high	43 Å²	43	38.9 Å²	38.9	30%	0.301	19%	0.186	S	C	.	.	H	α-helix	trans	-56.6	-31.5	-175.6	60.2	0	0	0	0	114.7	T976 K977 I999	S973-T976 PolarHBondContact O-N 3.35Å; S973-K977 WeakPolarHBondContact O-CB 3.41Å; S973-K977 PolarHBondContact O-N 2.95Å; S973-I999 WeakPolarHBondContact CB-O 3.35Å; S973-I999 PolarHBondContact N-O 2.8Å
974	T	95.8	Very high	96.9	Very high	68 Å²	68	42.5 Å²	42.5	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-71.1	-40.5	-175.8	80	0	0	0	0	112.8	D945 Q949 K972 K977 A978	D945-T974 WeakPolarHBondContact CB-OG1 3.16Å; D945-T974 VanDerWaalsContact CG-OG1 3.3Å; D945-T974 PolarHBondContact OD2-OG1 2.99Å; Q949-T974 PolarHBondContact NE2-OG1 3.4Å; K972-T974 VanDerWaalsContact C-N 3.26Å; K972-T974 PolarHBondContact O-N 2.7Å; K972-T974 VanDerWaalsContact O-N 3.17Å; T974-K977 WeakPolarHBondContact O-CB 3.44Å; T974-K977 PolarHBondContact O-N 3.18Å; T974-A978 PolarHBondContact O-N 3.42Å
975	A	96.5	Very high	96.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.6	-38.6	173.6	0	0	0	0	0	112	D945 V948 Q949 I971 K972 K977 A978 L979	D945-A975 HydrophobicContact CB-CB 3.94Å; V948-A975 HydrophobicContact CB-CB 3.87Å; V948-A975 HydrophobicContact CG1-CB 3.91Å; Q949-A975 HydrophobicContact CG-CB 4.28Å; I971-A975 HydrophobicContact CG2-CB 3.74Å; K972-A975 PolarHBondContact O-N 2.77Å; A975-K977 VanDerWaalsContact C-N 3.29Å; A975-K977 PolarHBondContact O-N 3.17Å; A975-A978 WeakPolarHBondContact O-CB 3.4Å; A975-A978 PolarHBondContact O-N 2.91Å; A975-A978 VanDerWaalsContact O-N 3.12Å; A975-L979 PolarHBondContact O-N 3.09Å
976	T	96.3	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-36.6	175	-56.3	0	0	0	0	112	K972 S973 A978 L979 A980 I999 G1003 L1007	K972-T976 PolarHBondContact O-N 3.39Å; K972-T976 PolarHBondContact O-OG1 2.98Å; S973-T976 PolarHBondContact O-N 3.35Å; T976-A978 VanDerWaalsContact C-N 3.34Å; T976-A978 PolarHBondContact O-N 3.45Å; T976-L979 PolarHBondContact O-N 2.95Å; T976-A980 WeakPolarHBondContact O-CB 3.27Å; T976-A980 PolarHBondContact O-N 3.48Å; T976-I999 HydrophobicContact CG2-CG2 3.83Å; T976-I999 WeakPolarHBondContact OG1-CG2 3.46Å; T976-G1003 WeakPolarHBondContact CG2-O 3.47Å; T976-L1007 HydrophobicContact CG2-CD1 3.5Å; T976-L1007 HydrophobicContact CG2-CD2 3.9Å; T976-L1007 HydrophobicContact CG2-CG 3.4Å; T976-L1007 VanDerWaalsContact CG2-CG 3.4Å
977	K	97.4	Very high	96.2	Very high	96 Å²	96	48.3 Å²	48.3	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-58.9	-43.9	170.9	-175.1	179.3	-179.9	174.8	0	112	S973 T974 A975 A980 Q981	S973-K977 WeakPolarHBondContact O-CB 3.41Å; S973-K977 PolarHBondContact O-N 2.95Å; T974-K977 WeakPolarHBondContact O-CB 3.44Å; T974-K977 PolarHBondContact O-N 3.18Å; A975-K977 VanDerWaalsContact C-N 3.29Å; A975-K977 PolarHBondContact O-N 3.17Å; K977-A980 PolarHBondContact O-N 3.23Å; K977-Q981 WeakPolarHBondContact O-CG 3.5Å; K977-Q981 PolarHBondContact O-N 2.78Å
978	A	97.7	Very high	96.2	Very high	20 Å²	20	48 Å²	48	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-41.7	177	0	0	0	0	0	112	Q949 A952 T974 A975 T976 Q981 A982	Q949-A978 HydrophobicContact CB-CB 4.25Å; Q949-A978 HydrophobicContact CG-CB 3.84Å; A952-A978 HydrophobicContact CB-CB 3.91Å; T974-A978 PolarHBondContact O-N 3.42Å; A975-A978 WeakPolarHBondContact O-CB 3.4Å; A975-A978 PolarHBondContact O-N 2.91Å; A975-A978 VanDerWaalsContact O-N 3.12Å; T976-A978 VanDerWaalsContact C-N 3.34Å; T976-A978 PolarHBondContact O-N 3.45Å; A978-Q981 PolarHBondContact O-N 3.29Å; A978-A982 PolarHBondContact O-N 3.26Å
979	L	97.8	Very high	96.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-45.1	173.7	-74.3	169.8	0	0	0	111.6	V948 A952 I955 L966 A975 T976 Q981 A982 L983 L994	V948-L979 HydrophobicContact CG1-CD1 3.64Å; V948-L979 HydrophobicContact CG1-CD2 4.24Å; V948-L979 HydrophobicContact CG1-CG 3.91Å; A952-L979 HydrophobicContact CB-CD2 3.84Å; A952-L979 HydrophobicContact CB-CG 4.13Å; I955-L979 HydrophobicContact CD1-CD2 4.3Å; L966-L979 HydrophobicContact CD1-CD1 4.15Å; L966-L979 HydrophobicContact CD1-CD2 4.43Å; A975-L979 PolarHBondContact O-N 3.09Å; T976-L979 PolarHBondContact O-N 2.95Å; L979-Q981 VanDerWaalsContact C-N 3.34Å; L979-Q981 PolarHBondContact O-N 3.17Å; L979-A982 WeakPolarHBondContact O-CB 3.33Å; L979-A982 PolarHBondContact O-N 3.3Å; L979-A982 VanDerWaalsContact O-N 3.14Å; L979-L983 WeakPolarHBondContact O-CG 3.36Å; L979-L983 PolarHBondContact O-N 2.83Å; L979-L994 HydrophobicContact CD1-CD1 4.27Å; L979-L994 HydrophobicContact CD1-CD2 3.75Å
980	A	97.4	Very high	96.2	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-45.7	175.2	0	0	0	0	0	111.8	T976 K977 A982 L983 L984 H1006 L1007 A1010	T976-A980 WeakPolarHBondContact O-CB 3.27Å; T976-A980 PolarHBondContact O-N 3.48Å; K977-A980 PolarHBondContact O-N 3.23Å; A980-A982 VanDerWaalsContact C-N 3.3Å; A980-A982 PolarHBondContact O-N 3.37Å; A980-L983 PolarHBondContact O-N 3.31Å; A980-L984 PolarHBondContact O-N 2.98Å; A980-H1006 HydrophobicContact CB-CB 3.94Å; A980-H1006 VanDerWaalsContact CB-O 3.25Å; A980-H1006 WeakPolarHBondContact CB-O 3.4Å; A980-L1007 HydrophobicContact CB-CD2 4.33Å; A980-A1010 HydrophobicContact CB-CB 3.92Å; A980-A1010 VanDerWaalsContact O-CB 3.26Å; A980-A1010 WeakPolarHBondContact O-CB 3.38Å
981	Q	96.6	Very high	96.4	Very high	111 Å²	111	42.7 Å²	42.7	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-36.7	175.5	-73.3	177	-9.7	0	0	112.8	K977 A978 L979	K977-Q981 WeakPolarHBondContact O-CG 3.5Å; K977-Q981 PolarHBondContact O-N 2.78Å; A978-Q981 PolarHBondContact O-N 3.29Å; L979-Q981 VanDerWaalsContact C-N 3.34Å; L979-Q981 PolarHBondContact O-N 3.17Å
982	A	96.8	Very high	96.4	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-41	175.5	0	0	0	0	0	112.1	A952 I955 R956 A978 L979 A980 L984 S985 N986	A952-A982 HydrophobicContact CB-CB 4.27Å; A952-A982 WeakPolarHBondContact O-CB 3.2Å; I955-A982 HydrophobicContact CB-CB 4.5Å; I955-A982 HydrophobicContact CG2-CB 4.41Å; R956-A982 HydrophobicContact CB-CB 4.21Å; A978-A982 PolarHBondContact O-N 3.26Å; L979-A982 WeakPolarHBondContact O-CB 3.33Å; L979-A982 PolarHBondContact O-N 3.3Å; L979-A982 VanDerWaalsContact O-N 3.14Å; A980-A982 VanDerWaalsContact C-N 3.3Å; A980-A982 PolarHBondContact O-N 3.37Å; A982-L984 PolarHBondContact O-N 3.33Å; A982-S985 PolarHBondContact O-N 3.16Å; A982-N986 WeakPolarHBondContact O-CB 3.22Å; A982-N986 PolarHBondContact O-N 3.38Å
983	L	96.4	Very high	96.5	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-22	179.1	-70.7	173.4	0	0	0	113.9	L979 A980 S985 I989 L992 L1007 A1010 N1014	L979-L983 WeakPolarHBondContact O-CG 3.36Å; L979-L983 PolarHBondContact O-N 2.83Å; A980-L983 PolarHBondContact O-N 3.31Å; L983-S985 PolarHBondContact O-N 2.9Å; L983-I989 HydrophobicContact CD2-CB 4.29Å; L983-I989 HydrophobicContact CD2-CG2 4.31Å; L983-L992 HydrophobicContact CD1-CD2 3.91Å; L983-L1007 HydrophobicContact CD1-CD2 4.24Å; L983-A1010 HydrophobicContact CB-CB 4.18Å; L983-N1014 PolarHBondContact O-ND2 3.46Å
984	L	95.2	Very high	96.7	Very high	86 Å²	86	35.7 Å²	35.7	45%	0.45	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.4	173.9	-70.7	173.7	0	0	0	112.8	A980 A982 A1010 V1013	A980-L984 PolarHBondContact O-N 2.98Å; A982-L984 PolarHBondContact O-N 3.33Å; L984-A1010 HydrophobicContact CD2-CB 4.23Å; L984-A1010 HydrophobicContact CG-CB 4.37Å; L984-V1013 HydrophobicContact CD2-CB 4.14Å; L984-V1013 HydrophobicContact CD2-CG2 4.32Å
985	S	92.1	Very high	96.7	Very high	64 Å²	64	33.7 Å²	33.7	45%	0.448	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-24.3	-179.3	-53	0	0	0	0	113.5	A982 L983	A982-S985 PolarHBondContact O-N 3.16Å; L983-S985 PolarHBondContact O-N 2.9Å
986	N	94.9	Very high	96.7	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	20%	0.195	C	C	.	.			trans	-73	134.9	179.4	-179	-85	0	0	0	111.4	I955 N958 A982 T988 I989 N1014	I955-N986 HydrophobicContact CG2-CB 4.23Å; I955-N986 PolarHBondContact O-ND2 3.16Å; N958-N986 PolarHBondContact O-ND2 3.06Å; N958-N986 VanDerWaalsContact O-ND2 3.12Å; A982-N986 WeakPolarHBondContact O-CB 3.22Å; A982-N986 PolarHBondContact O-N 3.38Å; N986-T988 PolarHBondContact ND2-OG1 3.18Å; N986-T988 VanDerWaalsContact ND2-OG1 3.14Å; N986-T988 PolarHBondContact OD1-N 3Å; N986-T988 PolarHBondContact OD1-OG1 3.38Å; N986-I989 WeakPolarHBondContact OD1-CB 3.33Å; N986-I989 WeakPolarHBondContact OD1-CG1 3.41Å; N986-I989 PolarHBondContact OD1-N 2.95Å; N986-N1014 PolarHBondContact O-ND2 2.98Å; N986-N1014 VanDerWaalsContact O-ND2 3.11Å
987	T	94	Very high	96.7	Very high	100 Å²	100	37 Å²	37	61%	0.613	20%	0.196	S	C	*	.			trans	-116.5	7.4	-178.3	54.2	0	0	0	0	113.5	S1016	T987-S1016 WeakPolarHBondContact O-CB 3.29Å
988	T	96.3	Very high	96.5	Very high	20 Å²	20	36.7 Å²	36.7	12%	0.123	20%	0.202	C	C	.	.			trans	-113.7	-33.3	-170	64.7	0	0	0	0	113.6	L961 T962 N986 Q990	L961-T988 CarbonylContact O-C 3.44Å; L961-T988 WeakPolarHBondContact O-CB 3.23Å; L961-T988 PolarHBondContact O-OG1 2.88Å; T962-T988 WeakPolarHBondContact CA-O 3.46Å; N986-T988 PolarHBondContact ND2-OG1 3.18Å; N986-T988 VanDerWaalsContact ND2-OG1 3.14Å; N986-T988 PolarHBondContact OD1-N 3Å; N986-T988 PolarHBondContact OD1-OG1 3.38Å; T988-Q990 PolarHBondContact O-N 3.36Å
989	I	97.6	Very high	96.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.195	C	C	.	.			trans	-66.2	119.9	-179.9	-63.4	-72.4	0	0	0	109.1	I955 L961 L964 L983 N986 L992 S1016 L1017	I955-I989 HydrophobicContact CG2-CD1 4.48Å; I955-I989 HydrophobicContact CG2-CG1 3.9Å; L961-I989 HydrophobicContact CB-CD1 3.97Å; L961-I989 HydrophobicContact CD2-CD1 3.88Å; L961-I989 HydrophobicContact CG-CD1 3.81Å; L961-I989 VanDerWaalsContact O-CD1 3.29Å; L961-I989 WeakPolarHBondContact O-CD1 3.38Å; L961-I989 PolarHBondContact O-N 3.36Å; L964-I989 HydrophobicContact CB-CD1 4.39Å; L983-I989 HydrophobicContact CD2-CB 4.29Å; L983-I989 HydrophobicContact CD2-CG2 4.31Å; N986-I989 WeakPolarHBondContact OD1-CB 3.33Å; N986-I989 WeakPolarHBondContact OD1-CG1 3.41Å; N986-I989 PolarHBondContact OD1-N 2.95Å; I989-L992 HydrophobicContact CG2-CB 4.39Å; I989-S1016 CarbonylContact O-C 3.48Å; I989-S1016 VanDerWaalsContact O-C 3.3Å; I989-S1016 WeakPolarHBondContact O-CB 3.09Å; I989-S1016 PolarHBondContact O-OG 2.97Å; I989-L1017 HydrophobicContact CG2-CD1 3.77Å; I989-L1017 WeakPolarHBondContact O-CA 3.27Å; I989-L1017 PolarHBondContact O-N 3.01Å
990	Q	98.2	Very high	96.3	Very high	102 Å²	102	36.6 Å²	36.6	48%	0.477	20%	0.204	S	C	.	.			trans	-107.4	-31.4	178.1	-66.9	-179.8	2.8	0	0	111.6	T962 T988 R1018 T1019	T962-Q990 PolarHBondContact O-N 2.91Å; T988-Q990 PolarHBondContact O-N 3.36Å; Q990-R1018 HydrophobicContact CB-CG 4.3Å; Q990-R1018 HydrophobicContact CG-CG 4.44Å; Q990-R1018 WeakPolarHBondContact O-CA 3.38Å; Q990-R1018 PolarHBondContact O-N 3.34Å; Q990-T1019 PolarHBondContact O-N 3.02Å
991	L	98.6	Very high	96.2	Very high	43 Å²	43	39.3 Å²	39.3	23%	0.225	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.8	176.9	-172.8	159.1	0	0	0	110.1	T962 L964 H965 D993 T1019	T962-L991 PolarHBondContact O-N 3.04Å; L964-L991 PolarHBondContact N-O 2.97Å; H965-L991 VanDerWaalsContact CE1-CD2 3.43Å; H965-L991 WeakPolarHBondContact CE1-CD2 3.15Å; L991-D993 HydrophobicContact CD2-CB 3.8Å; L991-T1019 WeakPolarHBondContact CA-O 3.34Å; L991-T1019 HydrophobicContact CD1-CG2 4.17Å; L991-T1019 HydrophobicContact CG-CG2 4.05Å
992	L	98.4	Very high	96.1	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124	170.7	179.2	60.7	0	0	0	109.7	L964 L983 I989 L994 L1007 L1017 T1019 L1020 C1021	L964-L992 HydrophobicContact CB-CD1 4.37Å; L964-L992 HydrophobicContact CD2-CD1 4.12Å; L964-L992 HydrophobicContact CG-CD1 4.35Å; L983-L992 HydrophobicContact CD1-CD2 3.91Å; I989-L992 HydrophobicContact CG2-CB 4.39Å; L992-L994 HydrophobicContact CD1-CD2 4.43Å; L992-L994 HydrophobicContact CD1-CG 4.18Å; L992-L994 HydrophobicContact CD2-CD1 3.9Å; L992-L994 HydrophobicContact CD2-CG 4.41Å; L992-L994 HydrophobicContact CG-CD1 4.04Å; L992-L994 HydrophobicContact CG-CG 4.03Å; L992-L1007 HydrophobicContact CD2-CD2 4.42Å; L992-L1017 HydrophobicContact CB-CD1 3.85Å; L992-T1019 PolarHBondContact N-O 3.47Å; L992-L1020 HydrophobicContact CB-CD1 4.23Å; L992-L1020 HydrophobicContact CD2-CD1 4.33Å; L992-L1020 HydrophobicContact CG-CD1 4.32Å; L992-L1020 WeakPolarHBondContact O-CA 3.42Å; L992-C1021 PolarHBondContact O-N 3.04Å
993	D	98.3	Very high	96.1	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	110.4	-173.5	-174.7	1.1	0	0	0	110.7	L964 H965 L966 Q967 L991 Q995 C1021	L964-D993 PolarHBondContact O-N 2.9Å; H965-D993 HydrophobicContact CB-CB 4.36Å; H965-D993 IonicContact CE1-OD2 3.87Å; H965-D993 IonicContact ND1-OD2 3.54Å; H965-D993 PolarHBondContact ND1-OD2 3.42Å; L966-D993 WeakPolarHBondContact CA-O 3.46Å; L966-D993 PolarHBondContact N-O 2.69Å; Q967-D993 VanDerWaalsContact CG-OD1 3.23Å; Q967-D993 WeakPolarHBondContact CG-OD1 3.4Å; Q967-D993 PolarHBondContact NE2-OD1 3.48Å; Q967-D993 PolarHBondContact NE2-OD2 3.31Å; L991-D993 HydrophobicContact CD2-CB 3.8Å; D993-Q995 WeakPolarHBondContact OD1-CG 3.4Å; D993-Q995 PolarHBondContact OD1-NE2 3.01Å; D993-C1021 HydrophobicContact CB-CB 4.34Å; D993-C1021 WeakPolarHBondContact OD1-CB 3.35Å
994	L	98	Very high	96.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.			trans	-122	13.7	-170.2	-72.8	172.2	0	0	0	112.6	L966 I971 L979 L992 N997 I999 L1007 C1021 L1022 V1025	L966-L994 HydrophobicContact CB-CD2 3.96Å; L966-L994 HydrophobicContact CD1-CD2 4.09Å; I971-L994 HydrophobicContact CD1-CD2 3.98Å; L979-L994 HydrophobicContact CD1-CD1 4.27Å; L979-L994 HydrophobicContact CD1-CD2 3.75Å; L992-L994 HydrophobicContact CD1-CD2 4.43Å; L992-L994 HydrophobicContact CD1-CG 4.18Å; L992-L994 HydrophobicContact CD2-CD1 3.9Å; L992-L994 HydrophobicContact CD2-CG 4.41Å; L992-L994 HydrophobicContact CG-CD1 4.04Å; L992-L994 HydrophobicContact CG-CG 4.03Å; L994-N997 WeakPolarHBondContact O-CB 3.45Å; L994-N997 PolarHBondContact O-ND2 3.34Å; L994-I999 HydrophobicContact CB-CD1 3.88Å; L994-I999 HydrophobicContact CD1-CD1 4.26Å; L994-L1007 HydrophobicContact CD1-CD1 3.79Å; L994-L1007 HydrophobicContact CD1-CD2 4.42Å; L994-C1021 PolarHBondContact N-O 3.1Å; L994-L1022 HydrophobicContact CB-CD2 3.99Å; L994-L1022 HydrophobicContact CD1-CD2 4.2Å; L994-V1025 WeakPolarHBondContact O-CG1 3.4Å
995	Q	96.9	Very high	96.3	Very high	27 Å²	27	36.9 Å²	36.9	13%	0.126	20%	0.204	C	C	.	.			trans	-53.7	150.7	-174.4	-61.1	175.3	63.8	0	0	113	Q967 W968 D993 N997 C1021 Q1023	Q967-Q995 WeakPolarHBondContact CA-O 3.34Å; Q967-Q995 HydrophobicContact CB-CB 4.34Å; Q967-Q995 WeakPolarHBondContact CB-O 3.42Å; Q967-Q995 HydrophobicContact CG-CB 4.02Å; W968-Q995 PolarHBondContact N-O 2.84Å; D993-Q995 WeakPolarHBondContact OD1-CG 3.4Å; D993-Q995 PolarHBondContact OD1-NE2 3.01Å; Q995-N997 VanDerWaalsContact C-N 3.3Å; Q995-N997 PolarHBondContact O-N 3.39Å; Q995-N997 PolarHBondContact O-ND2 3.3Å; Q995-C1021 HydrophobicContact CG-CB 3.72Å; Q995-C1021 VanDerWaalsContact NE2-CB 3.29Å; Q995-Q1023 CarbonylContact C-O 3.37Å; Q995-Q1023 VanDerWaalsContact CA-O 3.29Å; Q995-Q1023 WeakPolarHBondContact CA-O 3.3Å; Q995-Q1023 HydrophobicContact CB-CB 4.09Å; Q995-Q1023 HydrophobicContact CG-CB 3.73Å
996	E	95.9	Very high	96.6	Very high	65 Å²	65	36.5 Å²	36.5	30%	0.304	20%	0.195	S	C	.	.	S	Bend	trans	55.9	44.3	172.1	-54.9	-68.1	168	0	0	112.5	W968 Q1023	W968-E996 HydrophobicContact CD2-CB 3.85Å; W968-E996 HydrophobicContact CG-CB 4Å; W968-E996 HydrophobicContact CZ2-CB 3.79Å; W968-E996 HydrophobicContact CZ2-CG 3.87Å; W968-E996 VanDerWaalsContact NE1-CG 3.34Å; E996-Q1023 PolarHBondContact N-O 3.46Å; E996-Q1023 PolarHBondContact OE1-NE2 3.31Å
997	N	96.4	Very high	96.7	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-122.8	150.1	172.2	-78.3	-69.4	0	0	0	109.6	L966 N969 F970 I971 L994 Q995 I999 V1025	L966-N997 PolarHBondContact O-ND2 2.9Å; N969-N997 PolarHBondContact N-OD1 3.01Å; F970-N997 PolarHBondContact N-OD1 3.17Å; I971-N997 HydrophobicContact CB-CB 3.87Å; I971-N997 WeakPolarHBondContact CB-OD1 3.4Å; I971-N997 WeakPolarHBondContact CG1-OD1 3.42Å; I971-N997 PolarHBondContact N-OD1 3.25Å; L994-N997 WeakPolarHBondContact O-CB 3.45Å; L994-N997 PolarHBondContact O-ND2 3.34Å; Q995-N997 VanDerWaalsContact C-N 3.3Å; Q995-N997 PolarHBondContact O-N 3.39Å; Q995-N997 PolarHBondContact O-ND2 3.3Å; N997-I999 HydrophobicContact CB-CD1 4.19Å; N997-I999 HydrophobicContact CB-CG1 3.81Å; N997-I999 PolarHBondContact O-N 3.41Å; N997-V1025 WeakPolarHBondContact O-CA 3.23Å
998	T	93.4	Very high	96.9	Very high	89 Å²	89	31.8 Å²	31.8	55%	0.546	17%	0.166	S	C	.	.			trans	-84.7	54.3	-177.6	47.8	0	0	0	0	112.4	I971 K972	I971-T998 CarbonylContact O-C 3.57Å; I971-T998 VanDerWaalsContact O-C 3.25Å; I971-T998 PolarHBondContact O-N 3.21Å; K972-T998 WeakPolarHBondContact CA-O 3.49Å
999	I	95.4	Very high	96.9	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.015	18%	0.183	C	C	.	.			trans	-67.1	-42.9	-172.7	-59.7	-179	0	0	0	111.9	I971 S973 T976 L994 N997 V1004 L1022 V1025	I971-I999 HydrophobicContact CG2-CG1 4.49Å; I971-I999 PolarHBondContact O-N 3.3Å; S973-I999 WeakPolarHBondContact CB-O 3.35Å; S973-I999 PolarHBondContact N-O 2.8Å; T976-I999 HydrophobicContact CG2-CG2 3.83Å; T976-I999 WeakPolarHBondContact OG1-CG2 3.46Å; L994-I999 HydrophobicContact CB-CD1 3.88Å; L994-I999 HydrophobicContact CD1-CD1 4.26Å; N997-I999 HydrophobicContact CB-CD1 4.19Å; N997-I999 HydrophobicContact CB-CG1 3.81Å; N997-I999 PolarHBondContact O-N 3.41Å; I999-V1004 HydrophobicContact CG2-CG2 4.27Å; I999-L1022 HydrophobicContact CD1-CD2 4.41Å; I999-V1025 HydrophobicContact CB-CB 4.04Å; I999-V1025 HydrophobicContact CB-CG2 4.5Å; I999-V1025 HydrophobicContact CD1-CB 3.91Å; I999-V1025 HydrophobicContact CD1-CG1 3.78Å; I999-V1025 HydrophobicContact CD1-CG2 4.46Å; I999-V1025 HydrophobicContact CG1-CB 4.08Å; I999-V1025 HydrophobicContact CG1-CG1 4.33Å; I999-V1025 PolarHBondContact N-O 3.2Å
1000	G	95.4	Very high	96.9	Very high	19 Å²	19	35.7 Å²	35.7	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	75.1	170.6	-175.6	0	0	0	0	0	113.6	E1002 G1003 V1004 V1025 S1026	G1000-E1002 PolarHBondContact O-N 2.83Å; G1000-G1003 PolarHBondContact O-N 2.97Å; G1000-V1004 PolarHBondContact O-N 2.97Å; G1000-V1025 PolarHBondContact N-O 3.13Å; G1000-S1026 CarbonylContact C-O 3.51Å; G1000-S1026 WeakPolarHBondContact CA-O 3.32Å
1001	N	94.8	Very high	96.9	Very high	63 Å²	63	31 Å²	31	34%	0.337	16%	0.162	S	C	.	.	H	α-helix	trans	-55.3	-45.1	177.2	59.4	-20.5	0	0	0	113.1	G1003 V1004 I1005 S1026 A1027	N1001-G1003 PolarHBondContact O-N 3.41Å; N1001-V1004 PolarHBondContact O-N 3.32Å; N1001-V1004 VanDerWaalsContact O-N 3.17Å; N1001-I1005 VanDerWaalsContact O-CG1 3.25Å; N1001-I1005 WeakPolarHBondContact O-CG1 3.4Å; N1001-I1005 PolarHBondContact O-N 2.62Å; N1001-S1026 PolarHBondContact N-O 3.25Å; N1001-A1027 VanDerWaalsContact CA-O 3.24Å; N1001-A1027 WeakPolarHBondContact CA-O 3.25Å; N1001-A1027 WeakPolarHBondContact CB-O 3.43Å
1002	E	95.7	Very high	96.7	Very high	101 Å²	101	32.4 Å²	32.4	47%	0.472	17%	0.166	S	C	.	.	H	α-helix	trans	-56.6	-44.6	179.2	-70	-61.4	130.8	0	0	112.8	G1000 I1005 H1006	G1000-E1002 PolarHBondContact O-N 2.83Å; E1002-I1005 PolarHBondContact O-N 3.41Å; E1002-H1006 PolarHBondContact O-CD2 3.26Å; E1002-H1006 VanDerWaalsContact O-CD2 3.29Å; E1002-H1006 PolarHBondContact O-N 2.88Å; E1002-H1006 VanDerWaalsContact O-N 3.16Å
1003	G	96.4	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.9	-37.9	178.4	0	0	0	0	0	112.4	T976 G1000 N1001 H1006 L1007	T976-G1003 WeakPolarHBondContact CG2-O 3.47Å; G1000-G1003 PolarHBondContact O-N 2.97Å; N1001-G1003 PolarHBondContact O-N 3.41Å; G1003-H1006 PolarHBondContact O-N 2.92Å; G1003-L1007 PolarHBondContact O-N 3.27Å; G1003-L1007 VanDerWaalsContact O-N 3.17Å
1004	V	97.8	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-38.2	175.6	175.7	0	0	0	0	111.4	I999 G1000 N1001 H1006 L1007 A1008 V1025 A1027 M1035	I999-V1004 HydrophobicContact CG2-CG2 4.27Å; G1000-V1004 PolarHBondContact O-N 2.97Å; N1001-V1004 PolarHBondContact O-N 3.32Å; N1001-V1004 VanDerWaalsContact O-N 3.17Å; V1004-H1006 VanDerWaalsContact C-N 3.3Å; V1004-H1006 PolarHBondContact O-N 2.93Å; V1004-L1007 PolarHBondContact O-N 3.04Å; V1004-A1008 WeakPolarHBondContact O-CB 3.49Å; V1004-A1008 PolarHBondContact O-N 3.43Å; V1004-V1025 HydrophobicContact CG2-CG2 3.79Å; V1004-A1027 HydrophobicContact CB-CB 4.24Å; V1004-A1027 HydrophobicContact CG1-CB 4.13Å; V1004-A1027 HydrophobicContact CG2-CB 3.73Å; V1004-M1035 HydrophobicContact CG1-CE 3.64Å; V1004-M1035 HydrophobicContact CG1-CG 3.7Å
1005	I	98.1	Very high	96.2	Very high	55 Å²	55	40.1 Å²	40.1	28%	0.282	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-42.9	173.9	-69.7	163.2	0	0	0	110.6	N1001 E1002 L1007 A1008 E1009 A1034	N1001-I1005 VanDerWaalsContact O-CG1 3.25Å; N1001-I1005 WeakPolarHBondContact O-CG1 3.4Å; N1001-I1005 PolarHBondContact O-N 2.62Å; E1002-I1005 PolarHBondContact O-N 3.41Å; I1005-L1007 PolarHBondContact O-N 3.33Å; I1005-A1008 WeakPolarHBondContact O-CB 3.48Å; I1005-A1008 PolarHBondContact O-N 3.01Å; I1005-E1009 PolarHBondContact O-N 3.36Å; I1005-A1034 HydrophobicContact CB-CB 4.34Å; I1005-A1034 HydrophobicContact CG1-CB 3.79Å
1006	H	98	Very high	96.2	Very high	57 Å²	57	39.3 Å²	39.3	26%	0.264	22%	0.218	S	C	.	.	H	α-helix	trans	-62.2	-42.7	175.5	-70	-43.3	0	0	0	112.9	A980 E1002 G1003 V1004 A1008 E1009 A1010	A980-H1006 HydrophobicContact CB-CB 3.94Å; A980-H1006 VanDerWaalsContact CB-O 3.25Å; A980-H1006 WeakPolarHBondContact CB-O 3.4Å; E1002-H1006 PolarHBondContact O-CD2 3.26Å; E1002-H1006 VanDerWaalsContact O-CD2 3.29Å; E1002-H1006 PolarHBondContact O-N 2.88Å; E1002-H1006 VanDerWaalsContact O-N 3.16Å; G1003-H1006 PolarHBondContact O-N 2.92Å; V1004-H1006 VanDerWaalsContact C-N 3.3Å; V1004-H1006 PolarHBondContact O-N 2.93Å; H1006-A1008 VanDerWaalsContact C-N 3.33Å; H1006-E1009 PolarHBondContact O-N 3.37Å; H1006-A1010 PolarHBondContact O-N 2.92Å; H1006-A1010 VanDerWaalsContact O-N 3.13Å
1007	L	97.8	Very high	96.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-41.1	175.3	-70.4	171.4	0	0	0	111.9	T976 A980 L983 L992 L994 G1003 V1004 I1005 E1009 A1010 L1011 L1022 M1035	T976-L1007 HydrophobicContact CG2-CD1 3.5Å; T976-L1007 HydrophobicContact CG2-CD2 3.9Å; T976-L1007 HydrophobicContact CG2-CG 3.4Å; T976-L1007 VanDerWaalsContact CG2-CG 3.4Å; A980-L1007 HydrophobicContact CB-CD2 4.33Å; L983-L1007 HydrophobicContact CD1-CD2 4.24Å; L992-L1007 HydrophobicContact CD2-CD2 4.42Å; L994-L1007 HydrophobicContact CD1-CD1 3.79Å; L994-L1007 HydrophobicContact CD1-CD2 4.42Å; G1003-L1007 PolarHBondContact O-N 3.27Å; G1003-L1007 VanDerWaalsContact O-N 3.17Å; V1004-L1007 PolarHBondContact O-N 3.04Å; I1005-L1007 PolarHBondContact O-N 3.33Å; L1007-E1009 VanDerWaalsContact C-N 3.31Å; L1007-E1009 PolarHBondContact O-N 2.92Å; L1007-A1010 PolarHBondContact O-N 2.92Å; L1007-L1011 WeakPolarHBondContact O-CG 3.27Å; L1007-L1011 PolarHBondContact O-N 3.35Å; L1007-L1022 HydrophobicContact CD1-CD1 4.43Å; L1007-L1022 HydrophobicContact CD1-CD2 3.8Å; L1007-M1035 HydrophobicContact CB-CE 3.67Å
1008	A	97.7	Very high	96.3	Very high	1 Å²	1	40 Å²	40	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-41.9	176.9	0	0	0	0	0	111.5	V1004 I1005 H1006 A1010 L1011 K1012 A1034 M1035 A1038	V1004-A1008 WeakPolarHBondContact O-CB 3.49Å; V1004-A1008 PolarHBondContact O-N 3.43Å; I1005-A1008 WeakPolarHBondContact O-CB 3.48Å; I1005-A1008 PolarHBondContact O-N 3.01Å; H1006-A1008 VanDerWaalsContact C-N 3.33Å; A1008-A1010 VanDerWaalsContact C-N 3.35Å; A1008-A1010 PolarHBondContact O-N 3.41Å; A1008-L1011 WeakPolarHBondContact O-CB 3.39Å; A1008-L1011 PolarHBondContact O-N 3.07Å; A1008-K1012 PolarHBondContact O-N 2.96Å; A1008-A1034 HydrophobicContact CB-CB 3.84Å; A1008-A1034 WeakPolarHBondContact CB-O 3.37Å; A1008-M1035 HydrophobicContact CB-CE 4.24Å; A1008-M1035 HydrophobicContact CB-CG 4.33Å; A1008-M1035 HydrophobicContact CB-SD 4.03Å; A1008-A1038 HydrophobicContact CB-CB 4.05Å; A1008-A1038 WeakPolarHBondContact O-CB 3.26Å
1009	E	97.1	Very high	96.6	Very high	103 Å²	103	37.2 Å²	37.2	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-40.9	176.1	-168.5	57.1	-150.1	0	0	112	I1005 H1006 L1007 L1011 K1012	I1005-E1009 PolarHBondContact O-N 3.36Å; H1006-E1009 PolarHBondContact O-N 3.37Å; L1007-E1009 VanDerWaalsContact C-N 3.31Å; L1007-E1009 PolarHBondContact O-N 2.92Å; E1009-L1011 VanDerWaalsContact C-N 3.34Å; E1009-L1011 PolarHBondContact O-N 3.47Å; E1009-K1012 PolarHBondContact O-N 3.15Å; E1009-K1012 WeakPolarHBondContact OE2-CE 3.33Å; E1009-K1012 IonicContact OE2-NZ 3.01Å; E1009-K1012 PolarHBondContact OE2-NZ 3.11Å
1010	A	97.1	Very high	96.7	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-37.4	175.1	0	0	0	0	0	112.9	A980 L983 L984 H1006 L1007 A1008 K1012 V1013 N1014	A980-A1010 HydrophobicContact CB-CB 3.92Å; A980-A1010 VanDerWaalsContact O-CB 3.26Å; A980-A1010 WeakPolarHBondContact O-CB 3.38Å; L983-A1010 HydrophobicContact CB-CB 4.18Å; L984-A1010 HydrophobicContact CD2-CB 4.23Å; L984-A1010 HydrophobicContact CG-CB 4.37Å; H1006-A1010 PolarHBondContact O-N 2.92Å; H1006-A1010 VanDerWaalsContact O-N 3.13Å; L1007-A1010 PolarHBondContact O-N 2.92Å; A1008-A1010 VanDerWaalsContact C-N 3.35Å; A1008-A1010 PolarHBondContact O-N 3.41Å; A1010-K1012 VanDerWaalsContact C-N 3.27Å; A1010-K1012 PolarHBondContact O-N 3.01Å; A1010-V1013 PolarHBondContact O-N 3.44Å; A1010-N1014 WeakPolarHBondContact O-CB 3.45Å; A1010-N1014 PolarHBondContact O-N 3.19Å
1011	L	96.9	Very high	96.9	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-28.4	178.4	-81.6	175.3	0	0	0	113.8	L1007 A1008 E1009 V1013 L1017 L1020 M1035 A1038 N1042 L1045	L1007-L1011 WeakPolarHBondContact O-CG 3.27Å; L1007-L1011 PolarHBondContact O-N 3.35Å; A1008-L1011 WeakPolarHBondContact O-CB 3.39Å; A1008-L1011 PolarHBondContact O-N 3.07Å; E1009-L1011 VanDerWaalsContact C-N 3.34Å; E1009-L1011 PolarHBondContact O-N 3.47Å; L1011-V1013 PolarHBondContact O-N 3.36Å; L1011-L1017 HydrophobicContact CD2-CB 4.4Å; L1011-L1017 HydrophobicContact CD2-CD2 3.79Å; L1011-L1020 HydrophobicContact CD1-CD2 3.74Å; L1011-M1035 HydrophobicContact CD1-CE 4.13Å; L1011-M1035 HydrophobicContact CD1-SD 3.64Å; L1011-A1038 HydrophobicContact CB-CB 3.99Å; L1011-N1042 WeakPolarHBondContact O-CB 3.24Å; L1011-N1042 PolarHBondContact O-ND2 2.96Å; L1011-L1045 HydrophobicContact CD1-CD2 4.47Å
1012	K	95.7	Very high	97	Very high	72 Å²	72	34 Å²	34	31%	0.313	18%	0.179	S	C	.	.	H	α-helix	trans	-58.6	-30.7	175.8	-68.3	175	-177.2	168.9	0	112.2	A1008 E1009 A1010 A1038	A1008-K1012 PolarHBondContact O-N 2.96Å; E1009-K1012 PolarHBondContact O-N 3.15Å; E1009-K1012 WeakPolarHBondContact OE2-CE 3.33Å; E1009-K1012 IonicContact OE2-NZ 3.01Å; E1009-K1012 PolarHBondContact OE2-NZ 3.11Å; A1010-K1012 VanDerWaalsContact C-N 3.27Å; A1010-K1012 PolarHBondContact O-N 3.01Å; K1012-A1038 HydrophobicContact CG-CB 4.12Å
1013	V	94.6	Very high	97	Very high	98 Å²	98	30.7 Å²	30.7	59%	0.594	16%	0.164	S	C	*	.	H	α-helix	trans	-107.5	-34.6	-176.4	-175.6	0	0	0	0	112.2	L984 A1010 L1011 A1015	L984-V1013 HydrophobicContact CD2-CB 4.14Å; L984-V1013 HydrophobicContact CD2-CG2 4.32Å; A1010-V1013 PolarHBondContact O-N 3.44Å; L1011-V1013 PolarHBondContact O-N 3.36Å; V1013-A1015 PolarHBondContact O-N 3.47Å
1014	N	95.3	Very high	97	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.043	17%	0.173	C	C	.	.			trans	-64.5	128.5	-175.7	-178.5	-86.4	0	0	0	111.8	L983 N986 A1010 S1016 L1017 N1042 T1044	L983-N1014 PolarHBondContact O-ND2 3.46Å; N986-N1014 PolarHBondContact O-ND2 2.98Å; N986-N1014 VanDerWaalsContact O-ND2 3.11Å; A1010-N1014 WeakPolarHBondContact O-CB 3.45Å; A1010-N1014 PolarHBondContact O-N 3.19Å; N1014-S1016 PolarHBondContact ND2-OG 3.43Å; N1014-S1016 PolarHBondContact OD1-N 2.84Å; N1014-S1016 PolarHBondContact OD1-OG 3.11Å; N1014-L1017 WeakPolarHBondContact OD1-CB 3.44Å; N1014-L1017 PolarHBondContact OD1-N 3.01Å; N1014-N1042 PolarHBondContact O-ND2 3.46Å; N1014-T1044 PolarHBondContact O-OG1 3.32Å
1015	A	93.9	Very high	96.9	Very high	70 Å²	70	31.6 Å²	31.6	58%	0.579	17%	0.173	S	C	*	.	S	Bend	trans	-109.8	3.5	-178.2	0	0	0	0	0	114.1	V1013 R1018 T1044	V1013-A1015 PolarHBondContact O-N 3.47Å; A1015-R1018 PolarHBondContact O-NH1 3.31Å; A1015-T1044 HydrophobicContact CB-CG2 4.25Å; A1015-T1044 WeakPolarHBondContact O-CG2 3.4Å
1016	S	96.1	Very high	96.8	Very high	10 Å²	10	32.5 Å²	32.5	7%	0.07	19%	0.185	C	C	.	.	S	Bend	trans	-101.2	-38.1	-176.6	65.3	0	0	0	0	112.9	T987 I989 N1014 R1018	T987-S1016 WeakPolarHBondContact O-CB 3.29Å; I989-S1016 CarbonylContact O-C 3.48Å; I989-S1016 VanDerWaalsContact O-C 3.3Å; I989-S1016 WeakPolarHBondContact O-CB 3.09Å; I989-S1016 PolarHBondContact O-OG 2.97Å; N1014-S1016 PolarHBondContact ND2-OG 3.43Å; N1014-S1016 PolarHBondContact OD1-N 2.84Å; N1014-S1016 PolarHBondContact OD1-OG 3.11Å; S1016-R1018 PolarHBondContact O-N 3.09Å; S1016-R1018 PolarHBondContact O-NH1 3.42Å
1017	L	97.6	Very high	96.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.172	C	C	.	.			trans	-65.5	129	-172.7	-158	72.3	0	0	0	111	I989 L992 L1011 N1014 L1020 T1044 L1045	I989-L1017 HydrophobicContact CG2-CD1 3.77Å; I989-L1017 WeakPolarHBondContact O-CA 3.27Å; I989-L1017 PolarHBondContact O-N 3.01Å; L992-L1017 HydrophobicContact CB-CD1 3.85Å; L1011-L1017 HydrophobicContact CD2-CB 4.4Å; L1011-L1017 HydrophobicContact CD2-CD2 3.79Å; N1014-L1017 WeakPolarHBondContact OD1-CB 3.44Å; N1014-L1017 PolarHBondContact OD1-N 3.01Å; L1017-L1020 HydrophobicContact CD2-CB 3.92Å; L1017-L1020 HydrophobicContact CD2-CD1 4.27Å; L1017-L1020 HydrophobicContact CD2-CD2 4.39Å; L1017-L1020 HydrophobicContact CD2-CG 4.42Å; L1017-T1044 CarbonylContact O-C 3.53Å; L1017-T1044 PolarHBondContact O-OG1 3.01Å; L1017-L1045 HydrophobicContact CD2-CD1 4.2Å; L1017-L1045 HydrophobicContact CG-CD1 4.21Å; L1017-L1045 PolarHBondContact O-N 3.03Å
1018	R	98.1	Very high	96.6	Very high	82 Å²	82	30.7 Å²	30.7	31%	0.309	18%	0.182	S	C	.	.			trans	-113.4	-33.4	179.5	-60.3	-56.8	-171.3	-106.1	11.9	111.5	Q990 A1015 S1016 T1044 Q1046 T1047	Q990-R1018 HydrophobicContact CB-CG 4.3Å; Q990-R1018 HydrophobicContact CG-CG 4.44Å; Q990-R1018 WeakPolarHBondContact O-CA 3.38Å; Q990-R1018 PolarHBondContact O-N 3.34Å; A1015-R1018 PolarHBondContact O-NH1 3.31Å; S1016-R1018 PolarHBondContact O-N 3.09Å; S1016-R1018 PolarHBondContact O-NH1 3.42Å; R1018-T1044 WeakPolarHBondContact CD-O 3.28Å; R1018-T1044 VanDerWaalsContact NH1-CB 3.35Å; R1018-Q1046 WeakPolarHBondContact O-CA 3.37Å; R1018-Q1046 PolarHBondContact O-N 2.91Å; R1018-T1047 PolarHBondContact O-N 2.99Å
1019	T	98.5	Very high	96.5	Very high	31 Å²	31	33.3 Å²	33.3	19%	0.19	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.9	-178	-58.2	0	0	0	0	110	Q990 L991 L992 T1047	Q990-T1019 PolarHBondContact O-N 3.02Å; L991-T1019 WeakPolarHBondContact CA-O 3.34Å; L991-T1019 HydrophobicContact CD1-CG2 4.17Å; L991-T1019 HydrophobicContact CG-CG2 4.05Å; L992-T1019 PolarHBondContact N-O 3.47Å; T1019-T1047 WeakPolarHBondContact CA-O 3.42Å; T1019-T1047 HydrophobicContact CG2-CG2 4.16Å
1020	L	98.4	Very high	96.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.5	173.9	179.7	57.4	0	0	0	109.5	L992 L1011 L1017 L1022 M1035 L1045 T1047 L1048 D1049	L992-L1020 HydrophobicContact CB-CD1 4.23Å; L992-L1020 HydrophobicContact CD2-CD1 4.33Å; L992-L1020 HydrophobicContact CG-CD1 4.32Å; L992-L1020 WeakPolarHBondContact O-CA 3.42Å; L1011-L1020 HydrophobicContact CD1-CD2 3.74Å; L1017-L1020 HydrophobicContact CD2-CB 3.92Å; L1017-L1020 HydrophobicContact CD2-CD1 4.27Å; L1017-L1020 HydrophobicContact CD2-CD2 4.39Å; L1017-L1020 HydrophobicContact CD2-CG 4.42Å; L1020-L1022 HydrophobicContact CD1-CD1 4.42Å; L1020-L1022 HydrophobicContact CD1-CD2 4.24Å; L1020-L1022 HydrophobicContact CD1-CG 4.13Å; L1020-L1022 HydrophobicContact CD2-CD1 3.82Å; L1020-L1022 HydrophobicContact CD2-CG 4.38Å; L1020-L1022 HydrophobicContact CG-CD1 3.92Å; L1020-L1022 HydrophobicContact CG-CG 3.94Å; L1020-M1035 HydrophobicContact CD2-CE 3.86Å; L1020-M1035 HydrophobicContact CD2-SD 4.39Å; L1020-L1045 HydrophobicContact CB-CD1 3.9Å; L1020-L1045 HydrophobicContact CB-CD2 4.5Å; L1020-T1047 PolarHBondContact N-O 2.99Å; L1020-L1048 HydrophobicContact CB-CD1 4.26Å; L1020-L1048 HydrophobicContact CD2-CD1 4.3Å; L1020-L1048 HydrophobicContact CG-CD1 4.32Å; L1020-D1049 PolarHBondContact O-N 3.41Å
1021	C	98.3	Very high	96.5	Very high	15 Å²	15	31.6 Å²	31.6	10%	0.101	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.4	179.7	-54.2	0	0	0	0	111	L992 D993 L994 Q995 D1049	L992-C1021 PolarHBondContact O-N 3.04Å; D993-C1021 HydrophobicContact CB-CB 4.34Å; D993-C1021 WeakPolarHBondContact OD1-CB 3.35Å; L994-C1021 PolarHBondContact N-O 3.1Å; Q995-C1021 HydrophobicContact CG-CB 3.72Å; Q995-C1021 VanDerWaalsContact NE2-CB 3.29Å; C1021-D1049 HydrophobicContact CB-CB 4.39Å
1022	L	97.6	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.196	C	C	.	.			trans	-131.5	26	-174.5	-66	171.8	0	0	0	112	L994 I999 L1007 L1020 G1024 V1025 M1035 D1049 L1050 N1053	L994-L1022 HydrophobicContact CB-CD2 3.99Å; L994-L1022 HydrophobicContact CD1-CD2 4.2Å; I999-L1022 HydrophobicContact CD1-CD2 4.41Å; L1007-L1022 HydrophobicContact CD1-CD1 4.43Å; L1007-L1022 HydrophobicContact CD1-CD2 3.8Å; L1020-L1022 HydrophobicContact CD1-CD1 4.42Å; L1020-L1022 HydrophobicContact CD1-CD2 4.24Å; L1020-L1022 HydrophobicContact CD1-CG 4.13Å; L1020-L1022 HydrophobicContact CD2-CD1 3.82Å; L1020-L1022 HydrophobicContact CD2-CG 4.38Å; L1020-L1022 HydrophobicContact CG-CD1 3.92Å; L1020-L1022 HydrophobicContact CG-CG 3.94Å; L1022-G1024 PolarHBondContact O-N 3.48Å; L1022-V1025 HydrophobicContact CB-CG1 4.32Å; L1022-V1025 HydrophobicContact CB-CG2 3.87Å; L1022-V1025 HydrophobicContact CD2-CG1 4.32Å; L1022-V1025 HydrophobicContact CD2-CG2 4.19Å; L1022-V1025 WeakPolarHBondContact O-CG1 3.47Å; L1022-V1025 VanDerWaalsContact O-CG2 3.31Å; L1022-V1025 WeakPolarHBondContact O-CG2 3.42Å; L1022-V1025 PolarHBondContact O-N 3.13Å; L1022-M1035 HydrophobicContact CD1-CE 3.6Å; L1022-D1049 CarbonylContact C-O 3.55Å; L1022-D1049 WeakPolarHBondContact CA-O 3.3Å; L1022-D1049 WeakPolarHBondContact CB-O 3.36Å; L1022-D1049 PolarHBondContact N-O 3.03Å; L1022-L1050 HydrophobicContact CB-CD2 4.18Å; L1022-L1050 HydrophobicContact CD1-CD2 4.17Å; L1022-N1053 PolarHBondContact O-ND2 3.27Å; L1022-N1053 PolarHBondContact O-OD1 3.25Å
1023	Q	96.6	Very high	96.6	Very high	32 Å²	32	30.1 Å²	30.1	15%	0.15	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	131.9	174.1	179.6	-176.2	-48.1	0	0	111.6	Q995 E996 V1025 R1051	Q995-Q1023 CarbonylContact C-O 3.37Å; Q995-Q1023 VanDerWaalsContact CA-O 3.29Å; Q995-Q1023 WeakPolarHBondContact CA-O 3.3Å; Q995-Q1023 HydrophobicContact CB-CB 4.09Å; Q995-Q1023 HydrophobicContact CG-CB 3.73Å; E996-Q1023 PolarHBondContact N-O 3.46Å; E996-Q1023 PolarHBondContact OE1-NE2 3.31Å; Q1023-V1025 PolarHBondContact O-N 3.35Å; Q1023-R1051 CarbonylContact C-O 3.51Å; Q1023-R1051 WeakPolarHBondContact CA-O 3.41Å; Q1023-R1051 HydrophobicContact CB-CB 4.3Å; Q1023-R1051 HydrophobicContact CG-CB 3.95Å; Q1023-R1051 HydrophobicContact CG-CG 4.02Å
1024	G	95.6	Very high	96.7	Very high	19 Å²	19	26 Å²	26	20%	0.196	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	20.6	169.2	0	0	0	0	0	114.7	L1022 S1026 R1051	L1022-G1024 PolarHBondContact O-N 3.48Å; G1024-S1026 VanDerWaalsContact C-N 3.28Å; G1024-S1026 PolarHBondContact O-N 3.09Å; G1024-R1051 PolarHBondContact N-O 3.38Å
1025	V	96.9	Very high	96.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-87.2	4.8	-175.8	-53.9	0	0	0	0	114.8	L994 N997 I999 G1000 V1004 L1022 Q1023 A1027 N1053	L994-V1025 WeakPolarHBondContact O-CG1 3.4Å; N997-V1025 WeakPolarHBondContact O-CA 3.23Å; I999-V1025 HydrophobicContact CB-CB 4.04Å; I999-V1025 HydrophobicContact CB-CG2 4.5Å; I999-V1025 HydrophobicContact CD1-CB 3.91Å; I999-V1025 HydrophobicContact CD1-CG1 3.78Å; I999-V1025 HydrophobicContact CD1-CG2 4.46Å; I999-V1025 HydrophobicContact CG1-CB 4.08Å; I999-V1025 HydrophobicContact CG1-CG1 4.33Å; I999-V1025 PolarHBondContact N-O 3.2Å; G1000-V1025 PolarHBondContact N-O 3.13Å; V1004-V1025 HydrophobicContact CG2-CG2 3.79Å; L1022-V1025 HydrophobicContact CB-CG1 4.32Å; L1022-V1025 HydrophobicContact CB-CG2 3.87Å; L1022-V1025 HydrophobicContact CD2-CG1 4.32Å; L1022-V1025 HydrophobicContact CD2-CG2 4.19Å; L1022-V1025 WeakPolarHBondContact O-CG1 3.47Å; L1022-V1025 VanDerWaalsContact O-CG2 3.31Å; L1022-V1025 WeakPolarHBondContact O-CG2 3.42Å; L1022-V1025 PolarHBondContact O-N 3.13Å; Q1023-V1025 PolarHBondContact O-N 3.35Å; V1025-A1027 HydrophobicContact CG2-CB 4.27Å; V1025-N1053 VanDerWaalsContact CG2-OD1 3.32Å; V1025-N1053 WeakPolarHBondContact CG2-OD1 3.21Å; V1025-N1053 PolarHBondContact N-OD1 3.31Å
1026	S	95.4	Very high	97	Very high	75 Å²	75	22.5 Å²	22.5	52%	0.524	14%	0.143	S	C	.	.			trans	58.3	43.5	-174.4	-53.6	0	0	0	0	112.8	G1000 N1001 G1024 G1028 N1053	G1000-S1026 CarbonylContact C-O 3.51Å; G1000-S1026 WeakPolarHBondContact CA-O 3.32Å; N1001-S1026 PolarHBondContact N-O 3.25Å; G1024-S1026 VanDerWaalsContact C-N 3.28Å; G1024-S1026 PolarHBondContact O-N 3.09Å; S1026-G1028 PolarHBondContact O-N 3.43Å; S1026-N1053 PolarHBondContact N-OD1 2.92Å; S1026-N1053 VanDerWaalsContact N-OD1 3.08Å
1027	A	95.2	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.			trans	-59.5	-34.1	-179.8	0	0	0	0	0	113.2	N1001 V1004 V1025 G1031 N1053	N1001-A1027 VanDerWaalsContact CA-O 3.24Å; N1001-A1027 WeakPolarHBondContact CA-O 3.25Å; N1001-A1027 WeakPolarHBondContact CB-O 3.43Å; V1004-A1027 HydrophobicContact CB-CB 4.24Å; V1004-A1027 HydrophobicContact CG1-CB 4.13Å; V1004-A1027 HydrophobicContact CG2-CB 3.73Å; V1025-A1027 HydrophobicContact CG2-CB 4.27Å; A1027-G1031 WeakPolarHBondContact O-CA 3.31Å; A1027-G1031 PolarHBondContact O-N 3.43Å; A1027-N1053 HydrophobicContact CB-CB 3.85Å; A1027-N1053 WeakPolarHBondContact CB-OD1 3.36Å; A1027-N1053 PolarHBondContact N-OD1 2.63Å
1028	G	95.2	Very high	97	Very high	20 Å²	20	27 Å²	27	21%	0.206	16%	0.162	C	C	.	.	H	α-helix	trans	60.1	-177.2	-175.3	0	0	0	0	0	113.4	S1026 A1032 N1053	S1026-G1028 PolarHBondContact O-N 3.43Å; G1028-A1032 WeakPolarHBondContact O-CB 3.31Å; G1028-A1032 PolarHBondContact O-N 3.47Å; G1028-A1032 VanDerWaalsContact O-N 3.12Å; G1028-N1053 WeakPolarHBondContact CA-O 3.48Å; G1028-N1053 PolarHBondContact N-O 2.99Å
1029	T	96.6	Very high	96.9	Very high	56 Å²	56	23.1 Å²	23.1	34%	0.344	15%	0.148	S	C	.	.	H	α-helix	trans	-61.9	-45	178.9	-55.9	0	0	0	0	112.4	G1031 A1032 V1033 V1055 E1058	T1029-G1031 PolarHBondContact O-N 3.28Å; T1029-A1032 PolarHBondContact O-N 3.33Å; T1029-V1033 HydrophobicContact CG2-CG2 4.34Å; T1029-V1033 VanDerWaalsContact O-CG2 3.31Å; T1029-V1033 WeakPolarHBondContact O-CG2 3.32Å; T1029-V1033 PolarHBondContact O-N 2.84Å; T1029-V1055 WeakPolarHBondContact CA-O 3.43Å; T1029-V1055 WeakPolarHBondContact CB-O 3.38Å; T1029-V1055 PolarHBondContact OG1-O 3.44Å; T1029-E1058 HydrophobicContact CG2-CB 3.86Å
1030	S	96.7	Very high	96.6	Very high	69 Å²	69	25.7 Å²	25.7	48%	0.483	16%	0.164	S	C	.	.	H	α-helix	trans	-62.1	-41.9	-178.9	-50.2	0	0	0	0	112.7	V1033 A1034	S1030-V1033 PolarHBondContact O-N 2.91Å; S1030-A1034 PolarHBondContact O-N 2.82Å
1031	G	96.8	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-38.5	176.2	0	0	0	0	0	112.3	A1027 T1029 A1034 M1035	A1027-G1031 WeakPolarHBondContact O-CA 3.31Å; A1027-G1031 PolarHBondContact O-N 3.43Å; T1029-G1031 PolarHBondContact O-N 3.28Å; G1031-A1034 PolarHBondContact O-N 2.86Å; G1031-M1035 WeakPolarHBondContact O-CG 3.39Å; G1031-M1035 PolarHBondContact O-N 2.98Å
1032	A	97	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-39.7	175.8	0	0	0	0	0	113	G1028 T1029 M1035 A1036 V1055	G1028-A1032 WeakPolarHBondContact O-CB 3.31Å; G1028-A1032 PolarHBondContact O-N 3.47Å; G1028-A1032 VanDerWaalsContact O-N 3.12Å; T1029-A1032 PolarHBondContact O-N 3.33Å; A1032-M1035 PolarHBondContact O-N 3.08Å; A1032-A1036 PolarHBondContact O-N 3.13Å; A1032-V1055 HydrophobicContact CB-CB 4.1Å; A1032-V1055 HydrophobicContact CB-CG1 3.65Å; A1032-V1055 HydrophobicContact CB-CG2 3.85Å
1033	V	97.9	Very high	96	Very high	45 Å²	45	35.9 Å²	35.9	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-46.7	174	171.7	0	0	0	0	110.4	T1029 S1030 M1035 A1036 E1037 A1062	T1029-V1033 HydrophobicContact CG2-CG2 4.34Å; T1029-V1033 VanDerWaalsContact O-CG2 3.31Å; T1029-V1033 WeakPolarHBondContact O-CG2 3.32Å; T1029-V1033 PolarHBondContact O-N 2.84Å; S1030-V1033 PolarHBondContact O-N 2.91Å; V1033-M1035 VanDerWaalsContact C-N 3.33Å; V1033-M1035 PolarHBondContact O-N 2.92Å; V1033-A1036 WeakPolarHBondContact O-CB 3.49Å; V1033-A1036 PolarHBondContact O-N 3.36Å; V1033-A1036 VanDerWaalsContact O-N 3.15Å; V1033-E1037 PolarHBondContact O-N 2.86Å; V1033-A1062 HydrophobicContact CB-CB 4.33Å; V1033-A1062 HydrophobicContact CG1-CB 4.4Å; V1033-A1062 HydrophobicContact CG2-CB 3.91Å
1034	A	97.8	Very high	96	Very high	13 Å²	13	35.4 Å²	35.4	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-41.4	176.7	0	0	0	0	0	112.2	I1005 A1008 S1030 G1031 A1036 E1037 A1038	I1005-A1034 HydrophobicContact CB-CB 4.34Å; I1005-A1034 HydrophobicContact CG1-CB 3.79Å; A1008-A1034 HydrophobicContact CB-CB 3.84Å; A1008-A1034 WeakPolarHBondContact CB-O 3.37Å; S1030-A1034 PolarHBondContact O-N 2.82Å; G1031-A1034 PolarHBondContact O-N 2.86Å; A1034-A1036 VanDerWaalsContact C-N 3.34Å; A1034-A1036 PolarHBondContact O-N 3.44Å; A1034-E1037 WeakPolarHBondContact O-CB 3.24Å; A1034-E1037 PolarHBondContact O-N 3.43Å; A1034-A1038 PolarHBondContact O-N 3.22Å
1035	M	97.8	Very high	96	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-41.4	174	-78.7	-68.3	174	0	0	112.3	V1004 L1007 A1008 L1011 L1020 L1022 G1031 A1032 V1033 A1038 L1039	V1004-M1035 HydrophobicContact CG1-CE 3.64Å; V1004-M1035 HydrophobicContact CG1-CG 3.7Å; L1007-M1035 HydrophobicContact CB-CE 3.67Å; A1008-M1035 HydrophobicContact CB-CE 4.24Å; A1008-M1035 HydrophobicContact CB-CG 4.33Å; A1008-M1035 HydrophobicContact CB-SD 4.03Å; L1011-M1035 HydrophobicContact CD1-CE 4.13Å; L1011-M1035 HydrophobicContact CD1-SD 3.64Å; L1020-M1035 HydrophobicContact CD2-CE 3.86Å; L1020-M1035 HydrophobicContact CD2-SD 4.39Å; L1022-M1035 HydrophobicContact CD1-CE 3.6Å; G1031-M1035 WeakPolarHBondContact O-CG 3.39Å; G1031-M1035 PolarHBondContact O-N 2.98Å; A1032-M1035 PolarHBondContact O-N 3.08Å; V1033-M1035 VanDerWaalsContact C-N 3.33Å; V1033-M1035 PolarHBondContact O-N 2.92Å; M1035-A1038 WeakPolarHBondContact O-CB 3.14Å; M1035-A1038 PolarHBondContact O-N 3.16Å; M1035-L1039 WeakPolarHBondContact O-CG 3.12Å; M1035-L1039 PolarHBondContact O-N 2.66Å
1036	A	96.8	Very high	96.1	Very high	3 Å²	3	38 Å²	38	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-43.2	174.7	0	0	0	0	0	112	A1032 V1033 A1034 A1038 L1039 T1040 A1062 L1063 S1066	A1032-A1036 PolarHBondContact O-N 3.13Å; V1033-A1036 WeakPolarHBondContact O-CB 3.49Å; V1033-A1036 PolarHBondContact O-N 3.36Å; V1033-A1036 VanDerWaalsContact O-N 3.15Å; A1034-A1036 VanDerWaalsContact C-N 3.34Å; A1034-A1036 PolarHBondContact O-N 3.44Å; A1036-A1038 VanDerWaalsContact C-N 3.33Å; A1036-A1038 PolarHBondContact O-N 3.44Å; A1036-L1039 PolarHBondContact O-N 2.85Å; A1036-T1040 PolarHBondContact O-N 2.85Å; A1036-A1062 HydrophobicContact CB-CB 3.71Å; A1036-A1062 WeakPolarHBondContact CB-O 3.22Å; A1036-L1063 HydrophobicContact CB-CD2 3.94Å; A1036-L1063 HydrophobicContact CB-CG 4.14Å; A1036-S1066 WeakPolarHBondContact O-CB 3.46Å
1037	E	96.3	Very high	96.2	Very high	103 Å²	103	36.6 Å²	36.6	48%	0.481	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-43.7	173.9	-70.4	177.2	-174.4	0	0	111.5	V1033 A1034 L1039 T1040	V1033-E1037 PolarHBondContact O-N 2.86Å; A1034-E1037 WeakPolarHBondContact O-CB 3.24Å; A1034-E1037 PolarHBondContact O-N 3.43Å; E1037-L1039 VanDerWaalsContact C-N 3.33Å; E1037-L1039 PolarHBondContact O-N 3.09Å; E1037-T1040 PolarHBondContact O-N 3.21Å; E1037-T1040 VanDerWaalsContact O-N 3.16Å; E1037-T1040 PolarHBondContact O-OG1 3.32Å
1038	A	97	Very high	96.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-42.4	176.2	0	0	0	0	0	112.2	A1008 L1011 K1012 A1034 M1035 A1036 T1040 S1041 N1042	A1008-A1038 HydrophobicContact CB-CB 4.05Å; A1008-A1038 WeakPolarHBondContact O-CB 3.26Å; L1011-A1038 HydrophobicContact CB-CB 3.99Å; K1012-A1038 HydrophobicContact CG-CB 4.12Å; A1034-A1038 PolarHBondContact O-N 3.22Å; M1035-A1038 WeakPolarHBondContact O-CB 3.14Å; M1035-A1038 PolarHBondContact O-N 3.16Å; A1036-A1038 VanDerWaalsContact C-N 3.33Å; A1036-A1038 PolarHBondContact O-N 3.44Å; A1038-T1040 PolarHBondContact O-N 3.44Å; A1038-S1041 PolarHBondContact O-N 3.36Å; A1038-S1041 VanDerWaalsContact O-N 3.14Å; A1038-S1041 PolarHBondContact O-OG 2.75Å; A1038-S1041 VanDerWaalsContact O-OG 3.13Å; A1038-N1042 VanDerWaalsContact O-CB 3.31Å; A1038-N1042 WeakPolarHBondContact O-CB 3.3Å; A1038-N1042 PolarHBondContact O-N 2.93Å
1039	L	95.9	Very high	96.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-22.4	177.7	-71.5	173.3	0	0	0	113.8	M1035 A1036 E1037 S1041 L1045 L1048 L1063 N1070 L1073	M1035-L1039 WeakPolarHBondContact O-CG 3.12Å; M1035-L1039 PolarHBondContact O-N 2.66Å; A1036-L1039 PolarHBondContact O-N 2.85Å; E1037-L1039 VanDerWaalsContact C-N 3.33Å; E1037-L1039 PolarHBondContact O-N 3.09Å; L1039-S1041 VanDerWaalsContact C-N 3.26Å; L1039-S1041 PolarHBondContact O-N 3.27Å; L1039-L1045 HydrophobicContact CD2-CD2 4.02Å; L1039-L1048 HydrophobicContact CD1-CD2 3.96Å; L1039-L1063 HydrophobicContact CD1-CD2 4Å; L1039-N1070 PolarHBondContact O-ND2 2.67Å; L1039-L1073 HydrophobicContact CD1-CD2 4.32Å; L1039-L1073 HydrophobicContact CD2-CD1 4.44Å
1040	T	94.1	Very high	96.5	Very high	84 Å²	84	34.1 Å²	34.1	52%	0.515	19%	0.191	S	C	.	.	H	α-helix	trans	-68	-27.7	175.7	65.1	0	0	0	0	113.1	A1036 E1037 A1038	A1036-T1040 PolarHBondContact O-N 2.85Å; E1037-T1040 PolarHBondContact O-N 3.21Å; E1037-T1040 VanDerWaalsContact O-N 3.16Å; E1037-T1040 PolarHBondContact O-OG1 3.32Å; A1038-T1040 PolarHBondContact O-N 3.44Å
1041	S	92.6	Very high	96.5	Very high	57 Å²	57	34 Å²	34	40%	0.399	18%	0.18	S	C	.	.	H	α-helix	trans	-108.8	-32.9	-177.4	54	0	0	0	0	112.7	A1038 L1039	A1038-S1041 PolarHBondContact O-N 3.36Å; A1038-S1041 VanDerWaalsContact O-N 3.14Å; A1038-S1041 PolarHBondContact O-OG 2.75Å; A1038-S1041 VanDerWaalsContact O-OG 3.13Å; L1039-S1041 VanDerWaalsContact C-N 3.26Å; L1039-S1041 PolarHBondContact O-N 3.27Å
1042	N	95.1	Very high	96.4	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	20%	0.195	C	C	.	.			trans	-69.5	131	177.9	-175.2	-87.4	0	0	0	111.4	L1011 N1014 A1038 T1044 L1045 N1070	L1011-N1042 WeakPolarHBondContact O-CB 3.24Å; L1011-N1042 PolarHBondContact O-ND2 2.96Å; N1014-N1042 PolarHBondContact O-ND2 3.46Å; A1038-N1042 VanDerWaalsContact O-CB 3.31Å; A1038-N1042 WeakPolarHBondContact O-CB 3.3Å; A1038-N1042 PolarHBondContact O-N 2.93Å; N1042-T1044 PolarHBondContact ND2-OG1 3.15Å; N1042-T1044 VanDerWaalsContact ND2-OG1 3.08Å; N1042-T1044 PolarHBondContact OD1-N 2.73Å; N1042-T1044 PolarHBondContact OD1-OG1 3.06Å; N1042-L1045 WeakPolarHBondContact OD1-CB 3.2Å; N1042-L1045 PolarHBondContact OD1-N 3.2Å; N1042-N1070 PolarHBondContact O-ND2 2.84Å
1043	Q	93.1	Very high	96.4	Very high	167 Å²	167	35.7 Å²	35.7	78%	0.78	20%	0.196	S	C	*	.			trans	-117.2	15.3	-179.1	-60.4	-173.7	-1.6	0	0	113	S1072	Q1043-S1072 WeakPolarHBondContact O-CB 3.25Å
1044	T	95.6	Very high	96.3	Very high	22 Å²	22	36.4 Å²	36.4	14%	0.135	21%	0.207	C	C	.	.			trans	-121.5	-33.5	-168.8	61.6	0	0	0	0	113.5	N1014 A1015 L1017 R1018 N1042 Q1046	N1014-T1044 PolarHBondContact O-OG1 3.32Å; A1015-T1044 HydrophobicContact CB-CG2 4.25Å; A1015-T1044 WeakPolarHBondContact O-CG2 3.4Å; L1017-T1044 CarbonylContact O-C 3.53Å; L1017-T1044 PolarHBondContact O-OG1 3.01Å; R1018-T1044 WeakPolarHBondContact CD-O 3.28Å; R1018-T1044 VanDerWaalsContact NH1-CB 3.35Å; N1042-T1044 PolarHBondContact ND2-OG1 3.15Å; N1042-T1044 VanDerWaalsContact ND2-OG1 3.08Å; N1042-T1044 PolarHBondContact OD1-N 2.73Å; N1042-T1044 PolarHBondContact OD1-OG1 3.06Å; T1044-Q1046 PolarHBondContact O-N 3.2Å
1045	L	97.3	Very high	96.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.202	C	C	.	.			trans	-65.9	126.6	179.4	-163.4	72.7	0	0	0	109.8	L1011 L1017 L1020 L1039 N1042 L1048 S1072 L1073	L1011-L1045 HydrophobicContact CD1-CD2 4.47Å; L1017-L1045 HydrophobicContact CD2-CD1 4.2Å; L1017-L1045 HydrophobicContact CG-CD1 4.21Å; L1017-L1045 PolarHBondContact O-N 3.03Å; L1020-L1045 HydrophobicContact CB-CD1 3.9Å; L1020-L1045 HydrophobicContact CB-CD2 4.5Å; L1039-L1045 HydrophobicContact CD2-CD2 4.02Å; N1042-L1045 WeakPolarHBondContact OD1-CB 3.2Å; N1042-L1045 PolarHBondContact OD1-N 3.2Å; L1045-L1048 HydrophobicContact CD2-CB 4.02Å; L1045-L1048 HydrophobicContact CD2-CD1 4.32Å; L1045-S1072 CarbonylContact O-C 3.49Å; L1045-S1072 WeakPolarHBondContact O-CB 3.24Å; L1045-S1072 PolarHBondContact O-OG 3.25Å; L1045-L1073 HydrophobicContact CD2-CD1 4.41Å; L1045-L1073 HydrophobicContact CG-CD1 4.36Å; L1045-L1073 WeakPolarHBondContact O-CA 3.35Å; L1045-L1073 PolarHBondContact O-N 3.49Å
1046	Q	97.3	Very high	96.1	Very high	73 Å²	73	36.4 Å²	36.4	34%	0.341	21%	0.208	S	C	.	.			trans	-109.2	-32.2	-178.4	-62.5	-175.9	5.4	0	0	111.9	R1018 T1044 K1074 S1075	R1018-Q1046 WeakPolarHBondContact O-CA 3.37Å; R1018-Q1046 PolarHBondContact O-N 2.91Å; T1044-Q1046 PolarHBondContact O-N 3.2Å; Q1046-K1074 PolarHBondContact O-N 3Å; Q1046-S1075 PolarHBondContact O-N 3.17Å
1047	T	98	Very high	96	Very high	44 Å²	44	39.5 Å²	39.5	27%	0.27	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.2	179.9	-56.7	0	0	0	0	110.1	R1018 T1019 L1020 S1075	R1018-T1047 PolarHBondContact O-N 2.99Å; T1019-T1047 WeakPolarHBondContact CA-O 3.42Å; T1019-T1047 HydrophobicContact CG2-CG2 4.16Å; L1020-T1047 PolarHBondContact N-O 2.99Å; T1047-S1075 WeakPolarHBondContact CA-O 3.28Å
1048	L	97.9	Very high	95.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.7	173.1	178	59.3	0	0	0	109.3	L1020 L1039 L1045 L1050 L1073 S1075 L1076 N1077	L1020-L1048 HydrophobicContact CB-CD1 4.26Å; L1020-L1048 HydrophobicContact CD2-CD1 4.3Å; L1020-L1048 HydrophobicContact CG-CD1 4.32Å; L1039-L1048 HydrophobicContact CD1-CD2 3.96Å; L1045-L1048 HydrophobicContact CD2-CB 4.02Å; L1045-L1048 HydrophobicContact CD2-CD1 4.32Å; L1048-L1050 HydrophobicContact CD1-CD2 4.45Å; L1048-L1050 HydrophobicContact CD1-CG 4.14Å; L1048-L1050 HydrophobicContact CD2-CD1 3.85Å; L1048-L1050 HydrophobicContact CD2-CG 4.21Å; L1048-L1050 HydrophobicContact CG-CD1 4.16Å; L1048-L1050 HydrophobicContact CG-CG 3.97Å; L1048-L1073 HydrophobicContact CB-CD1 3.93Å; L1048-S1075 PolarHBondContact N-O 3.22Å; L1048-L1076 HydrophobicContact CB-CD1 4.1Å; L1048-L1076 HydrophobicContact CD2-CD1 4.08Å; L1048-L1076 HydrophobicContact CG-CD1 4.13Å; L1048-L1076 WeakPolarHBondContact O-CA 3.37Å; L1048-N1077 PolarHBondContact O-N 3.22Å
1049	D	97.8	Very high	95.9	Very high	24 Å²	24	39 Å²	39	13%	0.128	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	112.4	172.7	-165.3	-24	0	0	0	110.6	L1020 C1021 L1022 R1051 N1077	L1020-D1049 PolarHBondContact O-N 3.41Å; C1021-D1049 HydrophobicContact CB-CB 4.39Å; L1022-D1049 CarbonylContact C-O 3.55Å; L1022-D1049 WeakPolarHBondContact CA-O 3.3Å; L1022-D1049 WeakPolarHBondContact CB-O 3.36Å; L1022-D1049 PolarHBondContact N-O 3.03Å; D1049-R1051 WeakPolarHBondContact OD1-CB 3.47Å; D1049-R1051 PolarHBondContact OD1-N 3.43Å; D1049-N1077 HydrophobicContact CB-CB 4.3Å; D1049-N1077 PolarHBondContact OD1-ND2 3.46Å; D1049-N1077 PolarHBondContact OD2-ND2 3.1Å
1050	L	97.1	Very high	95.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.			trans	-115.6	20.5	176.4	-73.9	172.9	0	0	0	111.8	L1022 L1048 G1052 N1053 V1055 L1063 N1077 L1078 N1081	L1022-L1050 HydrophobicContact CB-CD2 4.18Å; L1022-L1050 HydrophobicContact CD1-CD2 4.17Å; L1048-L1050 HydrophobicContact CD1-CD2 4.45Å; L1048-L1050 HydrophobicContact CD1-CG 4.14Å; L1048-L1050 HydrophobicContact CD2-CD1 3.85Å; L1048-L1050 HydrophobicContact CD2-CG 4.21Å; L1048-L1050 HydrophobicContact CG-CD1 4.16Å; L1048-L1050 HydrophobicContact CG-CG 3.97Å; L1050-G1052 PolarHBondContact O-N 2.95Å; L1050-N1053 WeakPolarHBondContact O-CB 3.44Å; L1050-N1053 PolarHBondContact O-ND2 2.69Å; L1050-V1055 HydrophobicContact CB-CG2 4.47Å; L1050-L1063 HydrophobicContact CD1-CD1 4.08Å; L1050-L1063 HydrophobicContact CD1-CD2 4.35Å; L1050-N1077 CarbonylContact C-O 3.39Å; L1050-N1077 WeakPolarHBondContact CA-O 3.5Å; L1050-N1077 PolarHBondContact N-O 3.28Å; L1050-L1078 HydrophobicContact CB-CD2 4.05Å; L1050-L1078 HydrophobicContact CD1-CD2 4.22Å; L1050-N1081 PolarHBondContact O-ND2 3.43Å; L1050-N1081 PolarHBondContact O-OD1 3.08Å
1051	R	96.8	Very high	96	Very high	66 Å²	66	38.3 Å²	38.3	25%	0.249	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	140.4	-179	173.6	178.8	166.2	-158	3.9	112.8	Q1023 G1024 D1049 N1053 Q1079 E1080	Q1023-R1051 CarbonylContact C-O 3.51Å; Q1023-R1051 WeakPolarHBondContact CA-O 3.41Å; Q1023-R1051 HydrophobicContact CB-CB 4.3Å; Q1023-R1051 HydrophobicContact CG-CB 3.95Å; Q1023-R1051 HydrophobicContact CG-CG 4.02Å; G1024-R1051 PolarHBondContact N-O 3.38Å; D1049-R1051 WeakPolarHBondContact OD1-CB 3.47Å; D1049-R1051 PolarHBondContact OD1-N 3.43Å; R1051-N1053 PolarHBondContact O-N 3.03Å; R1051-N1053 PolarHBondContact O-ND2 3.16Å; R1051-Q1079 CarbonylContact C-O 3.54Å; R1051-Q1079 VanDerWaalsContact CA-O 3.23Å; R1051-Q1079 WeakPolarHBondContact CA-O 3.45Å; R1051-Q1079 HydrophobicContact CB-CB 4.37Å; R1051-Q1079 HydrophobicContact CG-CB 3.91Å; R1051-Q1079 HydrophobicContact CG-CG 4.15Å; R1051-Q1079 WeakPolarHBondContact CG-O 3.37Å; R1051-E1080 IonicContact CZ-OE2 3.02Å; R1051-E1080 IonicContact NE-OE1 2.69Å; R1051-E1080 IonicContact NE-OE2 3.98Å; R1051-E1080 PolarHBondContact NE-OE2 3.43Å; R1051-E1080 IonicContact NH2-OE1 3.27Å; R1051-E1080 PolarHBondContact NH2-OE1 3.1Å; R1051-E1080 IonicContact NH2-OE2 3.5Å; R1051-E1080 PolarHBondContact NH2-OE2 3.02Å; R1051-E1080 VanDerWaalsContact NH2-OE2 3.15Å
1052	G	95.8	Very high	96.2	Very high	32 Å²	32	36.5 Å²	36.5	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	30.1	169.7	0	0	0	0	0	114.9	L1050 Q1079 E1080	L1050-G1052 PolarHBondContact O-N 2.95Å; G1052-Q1079 PolarHBondContact N-O 2.97Å; G1052-E1080 VanDerWaalsContact CA-O 3.22Å; G1052-E1080 WeakPolarHBondContact CA-O 3.31Å; G1052-E1080 PolarHBondContact N-O 3.42Å
1053	N	96.9	Very high	96.2	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	20%	0.198	C	C	.	.	S	Bend	trans	-109.9	3.7	-173.1	-84.1	-69	0	0	0	115.4	L1022 V1025 S1026 A1027 G1028 L1050 R1051 V1055 N1081	L1022-N1053 PolarHBondContact O-ND2 3.27Å; L1022-N1053 PolarHBondContact O-OD1 3.25Å; V1025-N1053 VanDerWaalsContact CG2-OD1 3.32Å; V1025-N1053 WeakPolarHBondContact CG2-OD1 3.21Å; V1025-N1053 PolarHBondContact N-OD1 3.31Å; S1026-N1053 PolarHBondContact N-OD1 2.92Å; S1026-N1053 VanDerWaalsContact N-OD1 3.08Å; A1027-N1053 HydrophobicContact CB-CB 3.85Å; A1027-N1053 WeakPolarHBondContact CB-OD1 3.36Å; A1027-N1053 PolarHBondContact N-OD1 2.63Å; G1028-N1053 WeakPolarHBondContact CA-O 3.48Å; G1028-N1053 PolarHBondContact N-O 2.99Å; L1050-N1053 WeakPolarHBondContact O-CB 3.44Å; L1050-N1053 PolarHBondContact O-ND2 2.69Å; R1051-N1053 PolarHBondContact O-N 3.03Å; R1051-N1053 PolarHBondContact O-ND2 3.16Å; N1053-V1055 VanDerWaalsContact C-N 3.27Å; N1053-V1055 HydrophobicContact CB-CG2 4.28Å; N1053-V1055 PolarHBondContact O-N 3.15Å; N1053-N1081 WeakPolarHBondContact CA-OD1 3.37Å; N1053-N1081 WeakPolarHBondContact CB-OD1 3.44Å; N1053-N1081 PolarHBondContact N-OD1 3.33Å
1054	A	94.9	Very high	96.2	Very high	60 Å²	60	28.3 Å²	28.3	50%	0.496	16%	0.161	S	C	.	.			trans	51.5	46.7	-173.3	0	0	0	0	0	112.3	G1056 N1081	A1054-G1056 PolarHBondContact O-N 3.46Å; A1054-N1081 PolarHBondContact N-OD1 2.78Å; A1054-N1081 VanDerWaalsContact N-OD1 3.15Å
1055	V	95.9	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.			trans	-53.9	-40.6	177	166.7	0	0	0	0	111.3	T1029 A1032 L1050 N1053 L1063 L1078 N1081 L1083	T1029-V1055 WeakPolarHBondContact CA-O 3.43Å; T1029-V1055 WeakPolarHBondContact CB-O 3.38Å; T1029-V1055 PolarHBondContact OG1-O 3.44Å; A1032-V1055 HydrophobicContact CB-CB 4.1Å; A1032-V1055 HydrophobicContact CB-CG1 3.65Å; A1032-V1055 HydrophobicContact CB-CG2 3.85Å; L1050-V1055 HydrophobicContact CB-CG2 4.47Å; N1053-V1055 VanDerWaalsContact C-N 3.27Å; N1053-V1055 HydrophobicContact CB-CG2 4.28Å; N1053-V1055 PolarHBondContact O-N 3.15Å; V1055-L1063 HydrophobicContact CG1-CD1 4.1Å; V1055-L1078 HydrophobicContact CG2-CD2 4.49Å; V1055-N1081 HydrophobicContact CB-CB 3.94Å; V1055-N1081 HydrophobicContact CG2-CB 4.19Å; V1055-N1081 WeakPolarHBondContact CG2-OD1 3.34Å; V1055-N1081 PolarHBondContact N-O 3.15Å; V1055-N1081 PolarHBondContact N-OD1 2.87Å; V1055-N1081 VanDerWaalsContact N-OD1 3.13Å; V1055-L1083 HydrophobicContact CB-CD2 4.17Å; V1055-L1083 HydrophobicContact CG1-CD2 3.94Å
1056	G	95.1	Very high	96	Very high	14 Å²	14	31 Å²	31	14%	0.144	18%	0.175	C	C	.	.	H	α-helix	trans	69.1	175.7	179.9	0	0	0	0	0	113.8	A1054 E1058 G1059 A1060 N1081	A1054-G1056 PolarHBondContact O-N 3.46Å; G1056-E1058 PolarHBondContact O-N 2.99Å; G1056-G1059 PolarHBondContact O-N 2.81Å; G1056-A1060 PolarHBondContact O-N 3.08Å; G1056-N1081 PolarHBondContact N-O 3.22Å
1057	M	95.1	Very high	95.7	Very high	69 Å²	69	27.6 Å²	27.6	34%	0.34	16%	0.159	S	C	.	.	H	α-helix	trans	-60.9	-46	-175.5	178.2	-86.3	-73.3	0	0	113.2	G1059 A1060 K1061 L1083 D1086 F1090	M1057-G1059 VanDerWaalsContact C-N 3.34Å; M1057-G1059 PolarHBondContact O-N 3.37Å; M1057-A1060 VanDerWaalsContact O-CB 3.29Å; M1057-A1060 WeakPolarHBondContact O-CB 3.32Å; M1057-A1060 PolarHBondContact O-N 3.39Å; M1057-K1061 PolarHBondContact O-N 3.38Å; M1057-L1083 WeakPolarHBondContact CB-O 3.45Å; M1057-D1086 HydrophobicContact CG-CB 3.98Å; M1057-F1090 HydrophobicContact CG-CE2 4.35Å; M1057-F1090 HydrophobicContact SD-CE2 3.85Å
1058	E	95	Very high	95.2	Very high	93 Å²	93	29.9 Å²	29.9	44%	0.435	17%	0.165	S	C	.	.	H	α-helix	trans	-67.2	-34.5	-179.3	-69.8	-60.9	147.5	0	0	112.3	T1029 G1056 K1061 A1062	T1029-E1058 HydrophobicContact CG2-CB 3.86Å; G1056-E1058 PolarHBondContact O-N 2.99Å; E1058-K1061 WeakPolarHBondContact O-CB 3.37Å; E1058-K1061 PolarHBondContact O-N 3.32Å; E1058-K1061 IonicContact OE1-NZ 3.25Å; E1058-K1061 IonicContact OE2-NZ 3.45Å; E1058-K1061 PolarHBondContact OE2-NZ 3.3Å; E1058-A1062 PolarHBondContact O-N 2.74Å
1059	G	96	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.5	-40	173	0	0	0	0	0	111.8	G1056 M1057 K1061 A1062 L1063	G1056-G1059 PolarHBondContact O-N 2.81Å; M1057-G1059 VanDerWaalsContact C-N 3.34Å; M1057-G1059 PolarHBondContact O-N 3.37Å; G1059-K1061 VanDerWaalsContact C-N 3.33Å; G1059-K1061 PolarHBondContact O-N 3.48Å; G1059-A1062 PolarHBondContact O-N 3.45Å; G1059-L1063 WeakPolarHBondContact O-CG 3.48Å; G1059-L1063 PolarHBondContact O-N 3.25Å
1060	A	95.6	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-44.2	173.5	0	0	0	0	0	111.7	G1056 M1057 L1063 A1064 L1083	G1056-A1060 PolarHBondContact O-N 3.08Å; M1057-A1060 VanDerWaalsContact O-CB 3.29Å; M1057-A1060 WeakPolarHBondContact O-CB 3.32Å; M1057-A1060 PolarHBondContact O-N 3.39Å; A1060-L1063 PolarHBondContact O-N 3.13Å; A1060-A1064 VanDerWaalsContact O-CB 3.26Å; A1060-A1064 WeakPolarHBondContact O-CB 3.32Å; A1060-A1064 PolarHBondContact O-N 3.04Å; A1060-L1083 HydrophobicContact CB-CB 4.2Å; A1060-L1083 HydrophobicContact CB-CD2 3.62Å; A1060-L1083 HydrophobicContact CB-CG 4.28Å
1061	K	96.4	Very high	94	Very high	71 Å²	71	38.4 Å²	38.4	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-62.4	-43.6	177.1	-179	-176.9	171.6	-169.6	0	112.1	M1057 E1058 G1059 A1064 N1065 F1090	M1057-K1061 PolarHBondContact O-N 3.38Å; E1058-K1061 WeakPolarHBondContact O-CB 3.37Å; E1058-K1061 PolarHBondContact O-N 3.32Å; E1058-K1061 IonicContact OE1-NZ 3.25Å; E1058-K1061 IonicContact OE2-NZ 3.45Å; E1058-K1061 PolarHBondContact OE2-NZ 3.3Å; G1059-K1061 VanDerWaalsContact C-N 3.33Å; G1059-K1061 PolarHBondContact O-N 3.48Å; K1061-A1064 PolarHBondContact O-N 3.41Å; K1061-N1065 PolarHBondContact O-N 2.96Å; K1061-N1065 PolarHBondContact O-ND2 2.97Å; K1061-F1090 HydrophobicContact CB-CD2 3.58Å; K1061-F1090 HydrophobicContact CB-CE2 3.85Å; K1061-F1090 HydrophobicContact CB-CG 3.99Å; K1061-F1090 HydrophobicContact CB-CZ 4.46Å; K1061-F1090 HydrophobicContact CD-CD2 4.37Å; K1061-F1090 HydrophobicContact CD-CE1 4.28Å; K1061-F1090 HydrophobicContact CD-CE2 3.85Å; K1061-F1090 HydrophobicContact CD-CZ 3.81Å; K1061-F1090 HydrophobicContact CG-CD1 4.12Å; K1061-F1090 HydrophobicContact CG-CD2 3.93Å; K1061-F1090 HydrophobicContact CG-CE1 4.11Å; K1061-F1090 HydrophobicContact CG-CE2 3.91Å; K1061-F1090 HydrophobicContact CG-CG 4.05Å; K1061-F1090 HydrophobicContact CG-CZ 4.01Å
1062	A	96.8	Very high	93.8	Very high	20 Å²	20	36 Å²	36	17%	0.165	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-49	176	0	0	0	0	0	111.2	V1033 A1036 E1058 G1059 A1064 N1065 S1066	V1033-A1062 HydrophobicContact CB-CB 4.33Å; V1033-A1062 HydrophobicContact CG1-CB 4.4Å; V1033-A1062 HydrophobicContact CG2-CB 3.91Å; A1036-A1062 HydrophobicContact CB-CB 3.71Å; A1036-A1062 WeakPolarHBondContact CB-O 3.22Å; E1058-A1062 PolarHBondContact O-N 2.74Å; G1059-A1062 PolarHBondContact O-N 3.45Å; A1062-A1064 PolarHBondContact O-N 3.3Å; A1062-N1065 PolarHBondContact O-N 2.89Å; A1062-N1065 VanDerWaalsContact O-N 3.11Å; A1062-S1066 PolarHBondContact O-N 2.93Å
1063	L	96.1	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-46	176.8	-73	166.6	0	0	0	111.4	A1036 L1039 L1050 V1055 G1059 A1060 N1065 S1066 L1067 L1078	A1036-L1063 HydrophobicContact CB-CD2 3.94Å; A1036-L1063 HydrophobicContact CB-CG 4.14Å; L1039-L1063 HydrophobicContact CD1-CD2 4Å; L1050-L1063 HydrophobicContact CD1-CD1 4.08Å; L1050-L1063 HydrophobicContact CD1-CD2 4.35Å; V1055-L1063 HydrophobicContact CG1-CD1 4.1Å; G1059-L1063 WeakPolarHBondContact O-CG 3.48Å; G1059-L1063 PolarHBondContact O-N 3.25Å; A1060-L1063 PolarHBondContact O-N 3.13Å; L1063-N1065 VanDerWaalsContact C-N 3.28Å; L1063-N1065 PolarHBondContact O-N 3.45Å; L1063-S1066 PolarHBondContact O-N 3.46Å; L1063-S1066 VanDerWaalsContact O-N 3.09Å; L1063-S1066 PolarHBondContact O-OG 3.43Å; L1063-L1067 WeakPolarHBondContact O-CG 3.21Å; L1063-L1067 PolarHBondContact O-N 3.3Å; L1063-L1078 HydrophobicContact CD1-CD1 4.29Å; L1063-L1078 HydrophobicContact CD1-CD2 3.61Å
1064	A	93.8	Very high	93.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-55.4	-42	174.7	0	0	0	0	0	112.6	A1060 K1061 A1062 L1067 F1090 I1091 A1094	A1060-A1064 VanDerWaalsContact O-CB 3.26Å; A1060-A1064 WeakPolarHBondContact O-CB 3.32Å; A1060-A1064 PolarHBondContact O-N 3.04Å; K1061-A1064 PolarHBondContact O-N 3.41Å; A1062-A1064 PolarHBondContact O-N 3.3Å; A1064-L1067 PolarHBondContact O-N 2.88Å; A1064-F1090 HydrophobicContact CB-CB 3.8Å; A1064-F1090 WeakPolarHBondContact CB-O 3.31Å; A1064-I1091 HydrophobicContact CB-CD1 4.05Å; A1064-A1094 HydrophobicContact CB-CB 3.97Å; A1064-A1094 WeakPolarHBondContact O-CB 3.38Å
1065	N	93.1	Very high	93.7	Very high	80 Å²	80	37.7 Å²	37.7	43%	0.428	19%	0.189	S	C	.	.	H	α-helix	trans	-66.6	-40.5	176.6	-73.8	-28.8	0	0	0	112.2	K1061 A1062 L1063 L1067 K1068	K1061-N1065 PolarHBondContact O-N 2.96Å; K1061-N1065 PolarHBondContact O-ND2 2.97Å; A1062-N1065 PolarHBondContact O-N 2.89Å; A1062-N1065 VanDerWaalsContact O-N 3.11Å; L1063-N1065 VanDerWaalsContact C-N 3.28Å; L1063-N1065 PolarHBondContact O-N 3.45Å; N1065-L1067 VanDerWaalsContact C-N 3.33Å; N1065-L1067 PolarHBondContact O-N 2.72Å; N1065-K1068 WeakPolarHBondContact O-CB 3.18Å; N1065-K1068 PolarHBondContact O-N 3.38Å; N1065-K1068 PolarHBondContact OD1-NZ 3.08Å
1066	S	93.9	Very high	93.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-36.2	176.3	75.3	0	0	0	0	112.9	A1036 A1062 L1063 K1068 S1069 N1070	A1036-S1066 WeakPolarHBondContact O-CB 3.46Å; A1062-S1066 PolarHBondContact O-N 2.93Å; L1063-S1066 PolarHBondContact O-N 3.46Å; L1063-S1066 VanDerWaalsContact O-N 3.09Å; L1063-S1066 PolarHBondContact O-OG 3.43Å; S1066-K1068 PolarHBondContact O-N 3.03Å; S1066-S1069 PolarHBondContact O-N 3.47Å; S1066-S1069 PolarHBondContact O-OG 3.43Å; S1066-N1070 WeakPolarHBondContact O-CB 3.18Å; S1066-N1070 PolarHBondContact O-N 3.19Å
1067	L	91.6	Very high	93.8	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-24.9	178.4	-71.9	173	0	0	0	112.8	L1063 A1064 N1065 S1069 L1073 L1076 I1091 A1094 N1098 L1101	L1063-L1067 WeakPolarHBondContact O-CG 3.21Å; L1063-L1067 PolarHBondContact O-N 3.3Å; A1064-L1067 PolarHBondContact O-N 2.88Å; N1065-L1067 VanDerWaalsContact C-N 3.33Å; N1065-L1067 PolarHBondContact O-N 2.72Å; L1067-S1069 VanDerWaalsContact C-N 3.28Å; L1067-S1069 PolarHBondContact O-N 3.05Å; L1067-L1073 HydrophobicContact CD2-CD2 3.86Å; L1067-L1076 HydrophobicContact CD1-CD2 3.95Å; L1067-L1076 HydrophobicContact CD2-CD2 4.39Å; L1067-I1091 HydrophobicContact CD1-CD1 4.34Å; L1067-A1094 HydrophobicContact CB-CB 4.09Å; L1067-N1098 WeakPolarHBondContact O-CB 3.48Å; L1067-N1098 PolarHBondContact O-ND2 3.07Å; L1067-L1101 HydrophobicContact CD1-CD2 4.48Å; L1067-L1101 HydrophobicContact CD2-CD1 4.49Å; L1067-L1101 HydrophobicContact CD2-CD2 4.46Å
1068	K	88.6	Confident	93.9	Very high	91 Å²	91	34.7 Å²	34.7	40%	0.396	17%	0.171	S	C	.	.	H	α-helix	trans	-64.9	-33.6	178.1	-67.7	170.3	-176	164.7	0	112.2	N1065 S1066 R1071 A1094	N1065-K1068 WeakPolarHBondContact O-CB 3.18Å; N1065-K1068 PolarHBondContact O-N 3.38Å; N1065-K1068 PolarHBondContact OD1-NZ 3.08Å; S1066-K1068 PolarHBondContact O-N 3.03Å; K1068-R1071 PolarHBondContact O-NH1 2.92Å; K1068-R1071 PolarHBondContact O-NH2 2.68Å; K1068-A1094 HydrophobicContact CG-CB 4.29Å
1069	S	87.2	Confident	93.9	Very high	64 Å²	64	31.8 Å²	31.8	45%	0.448	16%	0.157	S	C	.	.	H	α-helix	trans	-104.4	-30.4	-178.8	55.7	0	0	0	0	113.6	S1066 L1067	S1066-S1069 PolarHBondContact O-N 3.47Å; S1066-S1069 PolarHBondContact O-OG 3.43Å; L1067-S1069 VanDerWaalsContact C-N 3.28Å; L1067-S1069 PolarHBondContact O-N 3.05Å
1070	N	90.9	Very high	93.9	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.027	18%	0.176	C	C	.	.			trans	-63.9	137.8	178.5	-172.9	-80.9	0	0	0	111.1	L1039 N1042 S1066 S1072 L1073	L1039-N1070 PolarHBondContact O-ND2 2.67Å; N1042-N1070 PolarHBondContact O-ND2 2.84Å; S1066-N1070 WeakPolarHBondContact O-CB 3.18Å; S1066-N1070 PolarHBondContact O-N 3.19Å; N1070-S1072 PolarHBondContact ND2-OG 3.22Å; N1070-S1072 PolarHBondContact OD1-N 3.29Å; N1070-S1072 PolarHBondContact OD1-OG 3.05Å; N1070-L1073 VanDerWaalsContact OD1-CB 3.3Å; N1070-L1073 WeakPolarHBondContact OD1-CB 3.48Å; N1070-L1073 PolarHBondContact OD1-N 3.47Å
1071	R	88.1	Confident	93.9	Very high	136 Å²	136	35.7 Å²	35.7	51%	0.513	18%	0.176	S	C	.	.			trans	-123.1	-3.9	-179.6	-60	-64.9	176.5	-108	1.1	113.4	K1068	K1068-R1071 PolarHBondContact O-NH1 2.92Å; K1068-R1071 PolarHBondContact O-NH2 2.68Å
1072	S	93.6	Very high	93.8	Very high	15 Å²	15	36.6 Å²	36.6	11%	0.105	19%	0.191	C	C	.	.	S	Bend	trans	-95.5	-33.4	-175.6	65.1	0	0	0	0	113	Q1043 L1045 N1070 K1074	Q1043-S1072 WeakPolarHBondContact O-CB 3.25Å; L1045-S1072 CarbonylContact O-C 3.49Å; L1045-S1072 WeakPolarHBondContact O-CB 3.24Å; L1045-S1072 PolarHBondContact O-OG 3.25Å; N1070-S1072 PolarHBondContact ND2-OG 3.22Å; N1070-S1072 PolarHBondContact OD1-N 3.29Å; N1070-S1072 PolarHBondContact OD1-OG 3.05Å; S1072-K1074 PolarHBondContact O-N 3.4Å
1073	L	94.6	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.			trans	-72.5	122.2	-174.5	-162.8	74.7	0	0	0	110.3	L1039 L1045 L1048 L1067 N1070 L1076 L1101	L1039-L1073 HydrophobicContact CD1-CD2 4.32Å; L1039-L1073 HydrophobicContact CD2-CD1 4.44Å; L1045-L1073 HydrophobicContact CD2-CD1 4.41Å; L1045-L1073 HydrophobicContact CG-CD1 4.36Å; L1045-L1073 WeakPolarHBondContact O-CA 3.35Å; L1045-L1073 PolarHBondContact O-N 3.49Å; L1048-L1073 HydrophobicContact CB-CD1 3.93Å; L1067-L1073 HydrophobicContact CD2-CD2 3.86Å; N1070-L1073 VanDerWaalsContact OD1-CB 3.3Å; N1070-L1073 WeakPolarHBondContact OD1-CB 3.48Å; N1070-L1073 PolarHBondContact OD1-N 3.47Å; L1073-L1076 HydrophobicContact CD2-CB 4Å; L1073-L1076 HydrophobicContact CD2-CD1 4.35Å; L1073-L1076 HydrophobicContact CD2-CD2 4.42Å; L1073-L1076 HydrophobicContact CD2-CG 4.47Å; L1073-L1101 HydrophobicContact CD2-CD1 4.3Å; L1073-L1101 HydrophobicContact CG-CD1 4.24Å
1074	K	94.7	Very high	93.6	Very high	103 Å²	103	36.9 Å²	36.9	45%	0.448	20%	0.195	S	C	.	.			trans	-106.8	-29	-179.9	-64.1	-177.9	179.6	178.8	0	112.3	Q1046 S1072 A1102 Y1103	Q1046-K1074 PolarHBondContact O-N 3Å; S1072-K1074 PolarHBondContact O-N 3.4Å; K1074-A1102 PolarHBondContact O-N 3.44Å; K1074-Y1103 PolarHBondContact O-N 2.91Å
1075	S	96.1	Very high	93.5	Very high	27 Å²	27	40.7 Å²	40.7	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125.8	-176	179.4	0	0	0	0	110.5	Q1046 T1047 L1048 Y1103	Q1046-S1075 PolarHBondContact O-N 3.17Å; T1047-S1075 WeakPolarHBondContact CA-O 3.28Å; L1048-S1075 PolarHBondContact N-O 3.22Å; S1075-Y1103 WeakPolarHBondContact CA-O 3.49Å; S1075-Y1103 WeakPolarHBondContact OG-CD1 3.43Å
1076	L	96.3	Very high	93.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.2	177.4	178.2	58.6	0	0	0	110.2	L1048 L1067 L1073 L1078 L1101 Y1103 I1104 N1105	L1048-L1076 HydrophobicContact CB-CD1 4.1Å; L1048-L1076 HydrophobicContact CD2-CD1 4.08Å; L1048-L1076 HydrophobicContact CG-CD1 4.13Å; L1048-L1076 WeakPolarHBondContact O-CA 3.37Å; L1067-L1076 HydrophobicContact CD1-CD2 3.95Å; L1067-L1076 HydrophobicContact CD2-CD2 4.39Å; L1073-L1076 HydrophobicContact CD2-CB 4Å; L1073-L1076 HydrophobicContact CD2-CD1 4.35Å; L1073-L1076 HydrophobicContact CD2-CD2 4.42Å; L1073-L1076 HydrophobicContact CD2-CG 4.47Å; L1076-L1078 HydrophobicContact CD1-CD2 4.21Å; L1076-L1078 HydrophobicContact CD1-CG 4.26Å; L1076-L1078 HydrophobicContact CD2-CD1 3.93Å; L1076-L1078 HydrophobicContact CD2-CG 4.21Å; L1076-L1078 HydrophobicContact CG-CD1 4.24Å; L1076-L1078 HydrophobicContact CG-CD2 4.44Å; L1076-L1078 HydrophobicContact CG-CG 3.96Å; L1076-L1101 HydrophobicContact CB-CD1 4.21Å; L1076-Y1103 PolarHBondContact N-O 3.5Å; L1076-I1104 HydrophobicContact CB-CG1 4.43Å; L1076-I1104 HydrophobicContact CD2-CD1 4.17Å; L1076-I1104 VanDerWaalsContact O-CA 3.24Å; L1076-I1104 WeakPolarHBondContact O-CA 3.35Å; L1076-N1105 PolarHBondContact O-N 3.43Å; L1076-N1105 VanDerWaalsContact O-N 3.11Å
1077	N	96.8	Very high	93.3	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.1	174.9	-170.7	-3.2	0	0	0	110.4	L1048 D1049 L1050 Q1079 N1105	L1048-N1077 PolarHBondContact O-N 3.22Å; D1049-N1077 HydrophobicContact CB-CB 4.3Å; D1049-N1077 PolarHBondContact OD1-ND2 3.46Å; D1049-N1077 PolarHBondContact OD2-ND2 3.1Å; L1050-N1077 CarbonylContact C-O 3.39Å; L1050-N1077 WeakPolarHBondContact CA-O 3.5Å; L1050-N1077 PolarHBondContact N-O 3.28Å; N1077-Q1079 VanDerWaalsContact OD1-CB 3.28Å; N1077-Q1079 WeakPolarHBondContact OD1-CB 3.44Å; N1077-Q1079 PolarHBondContact OD1-N 3.12Å; N1077-N1105 WeakPolarHBondContact OD1-CB 3.2Å
1078	L	96.4	Very high	93.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.			trans	-118.9	18.5	175.7	-64	173.3	0	0	0	112.1	L1050 V1055 L1063 L1076 N1081 L1083 I1091 I1104 N1105 L1106 N1109	L1050-L1078 HydrophobicContact CB-CD2 4.05Å; L1050-L1078 HydrophobicContact CD1-CD2 4.22Å; V1055-L1078 HydrophobicContact CG2-CD2 4.49Å; L1063-L1078 HydrophobicContact CD1-CD1 4.29Å; L1063-L1078 HydrophobicContact CD1-CD2 3.61Å; L1076-L1078 HydrophobicContact CD1-CD2 4.21Å; L1076-L1078 HydrophobicContact CD1-CG 4.26Å; L1076-L1078 HydrophobicContact CD2-CD1 3.93Å; L1076-L1078 HydrophobicContact CD2-CG 4.21Å; L1076-L1078 HydrophobicContact CG-CD1 4.24Å; L1076-L1078 HydrophobicContact CG-CD2 4.44Å; L1076-L1078 HydrophobicContact CG-CG 3.96Å; L1078-N1081 WeakPolarHBondContact O-CB 3.28Å; L1078-N1081 PolarHBondContact O-ND2 2.91Å; L1078-L1083 HydrophobicContact CB-CD1 4.21Å; L1078-L1083 HydrophobicContact CD1-CD1 4.33Å; L1078-I1091 HydrophobicContact CD1-CD1 4.03Å; L1078-I1104 HydrophobicContact CD1-CD1 4.49Å; L1078-N1105 CarbonylContact C-O 3.32Å; L1078-N1105 VanDerWaalsContact C-O 3.32Å; L1078-N1105 WeakPolarHBondContact CA-O 3.23Å; L1078-N1105 PolarHBondContact N-O 2.89Å; L1078-L1106 HydrophobicContact CB-CD2 4.17Å; L1078-L1106 HydrophobicContact CD1-CD2 4.15Å; L1078-N1109 PolarHBondContact O-ND2 2.8Å; L1078-N1109 PolarHBondContact O-OD1 2.97Å
1079	Q	96.3	Very high	93.3	Very high	31 Å²	31	39.7 Å²	39.7	15%	0.145	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	144.9	177.6	174.6	177.3	-3.5	0	0	112	R1051 G1052 N1077 N1081 N1105 Q1107	R1051-Q1079 CarbonylContact C-O 3.54Å; R1051-Q1079 VanDerWaalsContact CA-O 3.23Å; R1051-Q1079 WeakPolarHBondContact CA-O 3.45Å; R1051-Q1079 HydrophobicContact CB-CB 4.37Å; R1051-Q1079 HydrophobicContact CG-CB 3.91Å; R1051-Q1079 HydrophobicContact CG-CG 4.15Å; R1051-Q1079 WeakPolarHBondContact CG-O 3.37Å; G1052-Q1079 PolarHBondContact N-O 2.97Å; N1077-Q1079 VanDerWaalsContact OD1-CB 3.28Å; N1077-Q1079 WeakPolarHBondContact OD1-CB 3.44Å; N1077-Q1079 PolarHBondContact OD1-N 3.12Å; Q1079-N1081 PolarHBondContact O-N 2.87Å; Q1079-N1081 PolarHBondContact O-ND2 3.22Å; Q1079-N1105 PolarHBondContact N-O 3.13Å; Q1079-N1105 PolarHBondContact OE1-ND2 3.48Å; Q1079-Q1107 CarbonylContact C-O 3.51Å; Q1079-Q1107 VanDerWaalsContact CA-O 3.22Å; Q1079-Q1107 WeakPolarHBondContact CA-O 3.5Å; Q1079-Q1107 HydrophobicContact CG-CB 4.23Å; Q1079-Q1107 WeakPolarHBondContact CG-O 3.43Å
1080	E	95.1	Very high	93.6	Very high	83 Å²	83	39.9 Å²	39.9	39%	0.388	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	46.3	171.9	-69.7	157.5	-164	0	0	114.2	R1051 G1052 Q1107	R1051-E1080 IonicContact CZ-OE2 3.02Å; R1051-E1080 IonicContact NE-OE1 2.69Å; R1051-E1080 IonicContact NE-OE2 3.98Å; R1051-E1080 PolarHBondContact NE-OE2 3.43Å; R1051-E1080 IonicContact NH2-OE1 3.27Å; R1051-E1080 PolarHBondContact NH2-OE1 3.1Å; R1051-E1080 IonicContact NH2-OE2 3.5Å; R1051-E1080 PolarHBondContact NH2-OE2 3.02Å; R1051-E1080 VanDerWaalsContact NH2-OE2 3.15Å; G1052-E1080 VanDerWaalsContact CA-O 3.22Å; G1052-E1080 WeakPolarHBondContact CA-O 3.31Å; G1052-E1080 PolarHBondContact N-O 3.42Å; E1080-Q1107 PolarHBondContact N-O 3.32Å
1081	N	96.4	Very high	93.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-121.1	5.3	-175.4	-88.3	-63.7	0	0	0	115.7	L1050 N1053 A1054 V1055 G1056 L1078 Q1079 L1083 N1109	L1050-N1081 PolarHBondContact O-ND2 3.43Å; L1050-N1081 PolarHBondContact O-OD1 3.08Å; N1053-N1081 WeakPolarHBondContact CA-OD1 3.37Å; N1053-N1081 WeakPolarHBondContact CB-OD1 3.44Å; N1053-N1081 PolarHBondContact N-OD1 3.33Å; A1054-N1081 PolarHBondContact N-OD1 2.78Å; A1054-N1081 VanDerWaalsContact N-OD1 3.15Å; V1055-N1081 HydrophobicContact CB-CB 3.94Å; V1055-N1081 HydrophobicContact CG2-CB 4.19Å; V1055-N1081 WeakPolarHBondContact CG2-OD1 3.34Å; V1055-N1081 PolarHBondContact N-O 3.15Å; V1055-N1081 PolarHBondContact N-OD1 2.87Å; V1055-N1081 VanDerWaalsContact N-OD1 3.13Å; G1056-N1081 PolarHBondContact N-O 3.22Å; L1078-N1081 WeakPolarHBondContact O-CB 3.28Å; L1078-N1081 PolarHBondContact O-ND2 2.91Å; Q1079-N1081 PolarHBondContact O-N 2.87Å; Q1079-N1081 PolarHBondContact O-ND2 3.22Å; N1081-L1083 VanDerWaalsContact C-N 3.34Å; N1081-L1083 HydrophobicContact CB-CD2 3.87Å; N1081-L1083 HydrophobicContact CB-CG 4.3Å; N1081-L1083 PolarHBondContact O-N 3.03Å; N1081-N1109 VanDerWaalsContact C-OD1 3.27Å; N1081-N1109 WeakPolarHBondContact CA-OD1 3.29Å; N1081-N1109 VanDerWaalsContact CB-OD1 3.29Å; N1081-N1109 WeakPolarHBondContact CB-OD1 3.19Å; N1081-N1109 PolarHBondContact N-OD1 3.29Å
1082	S	94.3	Very high	93.7	Very high	89 Å²	89	33.2 Å²	33.2	62%	0.622	18%	0.18	S	C	*	.			trans	54.8	44.3	177.1	-52.3	0	0	0	0	113.5	G1084 N1109	S1082-G1084 VanDerWaalsContact C-N 3.31Å; S1082-G1084 PolarHBondContact O-N 2.75Å; S1082-N1109 PolarHBondContact N-OD1 3.01Å
1083	L	94.6	Very high	93.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.194	C	C	.	.			trans	-66.8	-30.9	-178	-49.9	171.6	0	0	0	113	V1055 M1057 A1060 L1078 N1081 G1087 L1106 N1109	V1055-L1083 HydrophobicContact CB-CD2 4.17Å; V1055-L1083 HydrophobicContact CG1-CD2 3.94Å; M1057-L1083 WeakPolarHBondContact CB-O 3.45Å; A1060-L1083 HydrophobicContact CB-CB 4.2Å; A1060-L1083 HydrophobicContact CB-CD2 3.62Å; A1060-L1083 HydrophobicContact CB-CG 4.28Å; L1078-L1083 HydrophobicContact CB-CD1 4.21Å; L1078-L1083 HydrophobicContact CD1-CD1 4.33Å; N1081-L1083 VanDerWaalsContact C-N 3.34Å; N1081-L1083 HydrophobicContact CB-CD2 3.87Å; N1081-L1083 HydrophobicContact CB-CG 4.3Å; N1081-L1083 PolarHBondContact O-N 3.03Å; L1083-G1087 WeakPolarHBondContact O-CA 3.45Å; L1083-G1087 PolarHBondContact O-N 3.27Å; L1083-L1106 HydrophobicContact CD1-CD2 3.82Å; L1083-N1109 HydrophobicContact CB-CB 4.11Å; L1083-N1109 HydrophobicContact CD1-CB 4.06Å; L1083-N1109 HydrophobicContact CG-CB 3.96Å; L1083-N1109 WeakPolarHBondContact CG-OD1 3.35Å; L1083-N1109 PolarHBondContact N-O 2.93Å
1084	G	92.7	Very high	93.2	Very high	25 Å²	25	35.7 Å²	35.7	26%	0.258	19%	0.194	S	C	.	.	H	α-helix	trans	70.1	178.4	-173.5	0	0	0	0	0	113.8	S1082 D1086 G1087 A1088 N1109	S1082-G1084 VanDerWaalsContact C-N 3.31Å; S1082-G1084 PolarHBondContact O-N 2.75Å; G1084-D1086 PolarHBondContact O-N 2.99Å; G1084-G1087 PolarHBondContact O-N 2.6Å; G1084-A1088 PolarHBondContact O-N 3.01Å; G1084-N1109 PolarHBondContact N-O 2.93Å
1085	M	92.6	Very high	92.8	Very high	82 Å²	82	30.8 Å²	30.8	40%	0.404	17%	0.173	S	C	.	.	H	α-helix	trans	-60.3	-45.4	-179.4	-175.5	-175.1	-63	0	0	112.3	G1087 A1088 I1089 I1111	M1085-G1087 VanDerWaalsContact C-N 3.34Å; M1085-G1087 PolarHBondContact O-N 3.31Å; M1085-A1088 WeakPolarHBondContact O-CB 3.48Å; M1085-A1088 PolarHBondContact O-N 3.43Å; M1085-I1089 HydrophobicContact CG-CD1 4.22Å; M1085-I1089 WeakPolarHBondContact O-CG1 3.3Å; M1085-I1089 PolarHBondContact O-N 3.41Å; M1085-I1111 WeakPolarHBondContact CA-O 3.44Å; M1085-I1111 WeakPolarHBondContact CB-O 3.35Å
1086	D	90.6	Very high	92.1	Very high	94 Å²	94	34.8 Å²	34.8	50%	0.503	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-38.2	-179.4	-63.7	-39.5	0	0	0	112	M1057 G1084 A1088 I1089 F1090	M1057-D1086 HydrophobicContact CG-CB 3.98Å; G1084-D1086 PolarHBondContact O-N 2.99Å; D1086-A1088 VanDerWaalsContact C-N 3.32Å; D1086-A1088 PolarHBondContact O-N 3.36Å; D1086-I1089 WeakPolarHBondContact O-CB 3.1Å; D1086-I1089 PolarHBondContact O-N 3.45Å; D1086-I1089 VanDerWaalsContact O-N 3.15Å; D1086-F1090 HydrophobicContact CB-CE2 4.36Å; D1086-F1090 WeakPolarHBondContact O-CD2 3.39Å; D1086-F1090 PolarHBondContact O-N 2.93Å
1087	G	91.2	Very high	91.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.5	-42.9	172.8	0	0	0	0	0	112.3	L1083 G1084 M1085 F1090 I1091	L1083-G1087 WeakPolarHBondContact O-CA 3.45Å; L1083-G1087 PolarHBondContact O-N 3.27Å; G1084-G1087 PolarHBondContact O-N 2.6Å; M1085-G1087 VanDerWaalsContact C-N 3.34Å; M1085-G1087 PolarHBondContact O-N 3.31Å; G1087-F1090 PolarHBondContact O-N 3.2Å; G1087-I1091 WeakPolarHBondContact O-CG1 3.44Å; G1087-I1091 PolarHBondContact O-N 2.87Å; G1087-I1091 VanDerWaalsContact O-N 3.13Å
1088	A	90.9	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-39.6	173.8	0	0	0	0	0	112.9	G1084 M1085 D1086 F1090 I1091 A1092 I1111 I1119	G1084-A1088 PolarHBondContact O-N 3.01Å; M1085-A1088 WeakPolarHBondContact O-CB 3.48Å; M1085-A1088 PolarHBondContact O-N 3.43Å; D1086-A1088 VanDerWaalsContact C-N 3.32Å; D1086-A1088 PolarHBondContact O-N 3.36Å; A1088-F1090 PolarHBondContact O-N 2.99Å; A1088-I1091 PolarHBondContact O-N 3.44Å; A1088-A1092 WeakPolarHBondContact O-CB 3.26Å; A1088-A1092 PolarHBondContact O-N 3.13Å; A1088-I1111 HydrophobicContact CB-CB 3.71Å; A1088-I1111 HydrophobicContact CB-CD1 4.13Å; A1088-I1111 HydrophobicContact CB-CG2 3.74Å; A1088-I1119 HydrophobicContact CB-CD1 3.74Å; A1088-I1119 HydrophobicContact CB-CG1 4.43Å
1089	I	90.7	Very high	89.3	Confident	58 Å²	58	42 Å²	42	30%	0.297	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-42	176.6	-67.3	168.1	0	0	0	111	M1085 D1086 A1092 T1093 V1118	M1085-I1089 HydrophobicContact CG-CD1 4.22Å; M1085-I1089 WeakPolarHBondContact O-CG1 3.3Å; M1085-I1089 PolarHBondContact O-N 3.41Å; D1086-I1089 WeakPolarHBondContact O-CB 3.1Å; D1086-I1089 PolarHBondContact O-N 3.45Å; D1086-I1089 VanDerWaalsContact O-N 3.15Å; I1089-A1092 PolarHBondContact O-N 3.22Å; I1089-T1093 WeakPolarHBondContact O-CB 3.44Å; I1089-T1093 PolarHBondContact O-N 3.5Å; I1089-T1093 PolarHBondContact O-OG1 2.99Å; I1089-V1118 HydrophobicContact CG1-CG1 4.4Å
1090	F	93.6	Very high	88.7	Confident	68 Å²	68	45.5 Å²	45.5	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-61.7	-47	176.1	-67.9	-53.5	0	0	0	111.8	M1057 K1061 A1064 D1086 G1087 A1088 T1093 A1094	M1057-F1090 HydrophobicContact CG-CE2 4.35Å; M1057-F1090 HydrophobicContact SD-CE2 3.85Å; K1061-F1090 HydrophobicContact CB-CD2 3.58Å; K1061-F1090 HydrophobicContact CB-CE2 3.85Å; K1061-F1090 HydrophobicContact CB-CG 3.99Å; K1061-F1090 HydrophobicContact CB-CZ 4.46Å; K1061-F1090 HydrophobicContact CD-CD2 4.37Å; K1061-F1090 HydrophobicContact CD-CE1 4.28Å; K1061-F1090 HydrophobicContact CD-CE2 3.85Å; K1061-F1090 HydrophobicContact CD-CZ 3.81Å; K1061-F1090 HydrophobicContact CG-CD1 4.12Å; K1061-F1090 HydrophobicContact CG-CD2 3.93Å; K1061-F1090 HydrophobicContact CG-CE1 4.11Å; K1061-F1090 HydrophobicContact CG-CE2 3.91Å; K1061-F1090 HydrophobicContact CG-CG 4.05Å; K1061-F1090 HydrophobicContact CG-CZ 4.01Å; A1064-F1090 HydrophobicContact CB-CB 3.8Å; A1064-F1090 WeakPolarHBondContact CB-O 3.31Å; D1086-F1090 HydrophobicContact CB-CE2 4.36Å; D1086-F1090 WeakPolarHBondContact O-CD2 3.39Å; D1086-F1090 PolarHBondContact O-N 2.93Å; G1087-F1090 PolarHBondContact O-N 3.2Å; A1088-F1090 PolarHBondContact O-N 2.99Å; F1090-T1093 WeakPolarHBondContact O-CB 3.29Å; F1090-T1093 PolarHBondContact O-N 3.3Å; F1090-A1094 PolarHBondContact O-N 3.13Å
1091	I	92.3	Very high	88.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-46.8	177.6	-66	-68.8	0	0	0	110.9	A1064 L1067 L1078 G1087 A1088 T1093 A1094 L1095 I1104 L1106	A1064-I1091 HydrophobicContact CB-CD1 4.05Å; L1067-I1091 HydrophobicContact CD1-CD1 4.34Å; L1078-I1091 HydrophobicContact CD1-CD1 4.03Å; G1087-I1091 WeakPolarHBondContact O-CG1 3.44Å; G1087-I1091 PolarHBondContact O-N 2.87Å; G1087-I1091 VanDerWaalsContact O-N 3.13Å; A1088-I1091 PolarHBondContact O-N 3.44Å; I1091-T1093 PolarHBondContact O-N 3.35Å; I1091-A1094 WeakPolarHBondContact O-CB 3.48Å; I1091-A1094 PolarHBondContact O-N 3.33Å; I1091-L1095 HydrophobicContact CG2-CD1 4.31Å; I1091-L1095 HydrophobicContact CG2-CG 4.47Å; I1091-L1095 WeakPolarHBondContact O-CG 3.08Å; I1091-L1095 PolarHBondContact O-N 3.18Å; I1091-I1104 HydrophobicContact CD1-CD1 4.5Å; I1091-I1104 HydrophobicContact CG2-CD1 3.54Å; I1091-L1106 HydrophobicContact CG2-CD1 4.09Å; I1091-L1106 HydrophobicContact CG2-CD2 4.39Å
1092	A	88.9	Confident	88.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-39.5	175.9	0	0	0	0	0	112.3	A1088 I1089 A1094 L1095 K1096 V1118 I1119 A1122	A1088-A1092 WeakPolarHBondContact O-CB 3.26Å; A1088-A1092 PolarHBondContact O-N 3.13Å; I1089-A1092 PolarHBondContact O-N 3.22Å; A1092-A1094 VanDerWaalsContact C-N 3.35Å; A1092-L1095 PolarHBondContact O-N 3.38Å; A1092-K1096 PolarHBondContact O-N 2.8Å; A1092-V1118 HydrophobicContact CB-CG1 3.75Å; A1092-I1119 HydrophobicContact CB-CB 4.4Å; A1092-I1119 HydrophobicContact CB-CG1 3.81Å; A1092-A1122 HydrophobicContact CB-CB 4.07Å; A1092-A1122 WeakPolarHBondContact O-CB 3.35Å
1093	T	88.1	Confident	88	Confident	67 Å²	67	43.1 Å²	43.1	41%	0.411	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-37.9	176.8	-56.9	0	0	0	0	111.8	I1089 F1090 I1091 K1096	I1089-T1093 WeakPolarHBondContact O-CB 3.44Å; I1089-T1093 PolarHBondContact O-N 3.5Å; I1089-T1093 PolarHBondContact O-OG1 2.99Å; F1090-T1093 WeakPolarHBondContact O-CB 3.29Å; F1090-T1093 PolarHBondContact O-N 3.3Å; I1091-T1093 PolarHBondContact O-N 3.35Å; T1093-K1096 PolarHBondContact O-N 3.36Å
1094	A	88.7	Confident	88	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-39.5	176.3	0	0	0	0	0	112.4	A1064 L1067 K1068 F1090 I1091 A1092 K1096 G1097 N1098	A1064-A1094 HydrophobicContact CB-CB 3.97Å; A1064-A1094 WeakPolarHBondContact O-CB 3.38Å; L1067-A1094 HydrophobicContact CB-CB 4.09Å; K1068-A1094 HydrophobicContact CG-CB 4.29Å; F1090-A1094 PolarHBondContact O-N 3.13Å; I1091-A1094 WeakPolarHBondContact O-CB 3.48Å; I1091-A1094 PolarHBondContact O-N 3.33Å; A1092-A1094 VanDerWaalsContact C-N 3.35Å; A1094-K1096 PolarHBondContact O-N 3.42Å; A1094-G1097 PolarHBondContact O-N 2.94Å; A1094-N1098 PolarHBondContact O-N 3.24Å; A1094-N1098 VanDerWaalsContact O-N 3.14Å
1095	L	86.2	Confident	88	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-30.9	177.9	-67.8	175.7	0	0	0	112.6	I1091 A1092 G1097 N1098 L1101 I1104 V1132	I1091-L1095 HydrophobicContact CG2-CD1 4.31Å; I1091-L1095 HydrophobicContact CG2-CG 4.47Å; I1091-L1095 WeakPolarHBondContact O-CG 3.08Å; I1091-L1095 PolarHBondContact O-N 3.18Å; A1092-L1095 PolarHBondContact O-N 3.38Å; L1095-G1097 PolarHBondContact O-N 3.01Å; L1095-N1098 PolarHBondContact O-N 2.96Å; L1095-L1101 HydrophobicContact CD2-CD2 3.8Å; L1095-I1104 HydrophobicContact CD1-CG2 4.5Å; L1095-V1132 HydrophobicContact CD1-CG2 4.36Å
1096	K	81.8	Confident	88.1	Confident	111 Å²	111	38.4 Å²	38.4	48%	0.483	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.6	174.7	-67.9	-178.9	-179.3	-180	0	113.8	A1092 T1093 A1094 A1122	A1092-K1096 PolarHBondContact O-N 2.8Å; T1093-K1096 PolarHBondContact O-N 3.36Å; A1094-K1096 PolarHBondContact O-N 3.42Å; K1096-A1122 HydrophobicContact CG-CB 3.94Å
1097	G	74.7	Confident	88.2	Confident	37 Å²	37	37.7 Å²	37.7	38%	0.381	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-5.8	-178.9	0	0	0	0	0	114.7	A1094 L1095	A1094-G1097 PolarHBondContact O-N 2.94Å; L1095-G1097 PolarHBondContact O-N 3.01Å
1098	N	79.4	Confident	88.2	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.011	22%	0.223	C	C	.	.			trans	-114.2	112.1	-177.8	-173.7	-25.1	0	0	0	110.6	L1067 A1094 L1095 Q1100 L1101	L1067-N1098 WeakPolarHBondContact O-CB 3.48Å; L1067-N1098 PolarHBondContact O-ND2 3.07Å; A1094-N1098 PolarHBondContact O-N 3.24Å; A1094-N1098 VanDerWaalsContact O-N 3.14Å; L1095-N1098 PolarHBondContact O-N 2.96Å; N1098-Q1100 PolarHBondContact OD1-N 2.81Å; N1098-L1101 PolarHBondContact OD1-N 3.3Å; N1098-L1101 VanDerWaalsContact OD1-N 3.1Å
1099	H	77.1	Confident	88.4	Confident	133 Å²	133	40.6 Å²	40.6	62%	0.616	22%	0.224	S	C	*	.	S	Bend	trans	-102.8	3.4	-178.8	-54	88.7	0	0	0	113.3	S1126	H1099-S1126 PolarHBondContact CD2-O 3.5Å; H1099-S1126 VanDerWaalsContact CD2-O 3.26Å; H1099-S1126 PolarHBondContact NE2-O 2.9Å
1100	Q	82.6	Confident	88.3	Confident	105 Å²	105	41 Å²	41	49%	0.491	24%	0.243	S	C	.	.	S	Bend	trans	-103.3	-25.1	-175.8	-65.2	-61.8	-32.2	0	0	112.9	N1098 A1102	N1098-Q1100 PolarHBondContact OD1-N 2.81Å; Q1100-A1102 PolarHBondContact O-N 3.26Å
1101	L	88.9	Confident	88.2	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.026	23%	0.231	C	C	.	.			trans	-67.5	121.2	173.2	-164.4	72.5	0	0	0	109.1	L1067 L1073 L1076 L1095 N1098 I1104 C1130	L1067-L1101 HydrophobicContact CD1-CD2 4.48Å; L1067-L1101 HydrophobicContact CD2-CD1 4.49Å; L1067-L1101 HydrophobicContact CD2-CD2 4.46Å; L1073-L1101 HydrophobicContact CD2-CD1 4.3Å; L1073-L1101 HydrophobicContact CG-CD1 4.24Å; L1076-L1101 HydrophobicContact CB-CD1 4.21Å; L1095-L1101 HydrophobicContact CD2-CD2 3.8Å; N1098-L1101 PolarHBondContact OD1-N 3.3Å; N1098-L1101 VanDerWaalsContact OD1-N 3.1Å; L1101-I1104 HydrophobicContact CD2-CB 4Å; L1101-I1104 HydrophobicContact CD2-CD1 4.24Å; L1101-I1104 HydrophobicContact CD2-CG2 4.4Å; L1101-C1130 VanDerWaalsContact O-CB 3.29Å; L1101-C1130 WeakPolarHBondContact O-CB 3.48Å; L1101-C1130 PolarHBondContact O-SG 3.15Å; L1101-C1130 VanDerWaalsContact O-SG 3.41Å
1102	A	90	Very high	88	Confident	50 Å²	50	40.2 Å²	40.2	41%	0.413	25%	0.252	S	S	.	.			trans	-101	-24.4	-177.6	0	0	0	0	0	112.3	K1074 Q1100 C1130 V1131	K1074-A1102 PolarHBondContact O-N 3.44Å; Q1100-A1102 PolarHBondContact O-N 3.26Å; A1102-C1130 WeakPolarHBondContact O-CA 3.41Å; A1102-V1131 PolarHBondContact O-N 3.02Å
1103	Y	92.9	Very high	87.8	Confident	68 Å²	68	48.8 Å²	48.8	27%	0.267	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.7	-178.6	179.9	-99.4	0	0	0	111.9	K1074 S1075 L1076 N1105 V1131 D1133	K1074-Y1103 PolarHBondContact O-N 2.91Å; S1075-Y1103 WeakPolarHBondContact CA-O 3.49Å; S1075-Y1103 WeakPolarHBondContact OG-CD1 3.43Å; L1076-Y1103 PolarHBondContact N-O 3.5Å; Y1103-N1105 HydrophobicContact CE1-CB 3.93Å; Y1103-N1105 WeakPolarHBondContact OH-CB 3.36Å; Y1103-N1105 PolarHBondContact OH-ND2 2.93Å; Y1103-V1131 WeakPolarHBondContact CA-O 3.46Å; Y1103-V1131 HydrophobicContact CD2-CB 4.18Å; Y1103-V1131 HydrophobicContact CD2-CG1 4.19Å; Y1103-V1131 HydrophobicContact CE2-CG1 4.45Å; Y1103-D1133 VanDerWaalsContact CE2-OD2 3.27Å; Y1103-D1133 WeakPolarHBondContact CE2-OD2 3.41Å; Y1103-D1133 PolarHBondContact OH-OD2 3.15Å
1104	I	93.3	Very high	87.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.5	167.6	-174.5	167.2	0	0	0	111.3	L1076 L1078 I1091 L1095 L1101 L1106 V1131 V1132 D1133	L1076-I1104 HydrophobicContact CB-CG1 4.43Å; L1076-I1104 HydrophobicContact CD2-CD1 4.17Å; L1076-I1104 VanDerWaalsContact O-CA 3.24Å; L1076-I1104 WeakPolarHBondContact O-CA 3.35Å; L1078-I1104 HydrophobicContact CD1-CD1 4.49Å; I1091-I1104 HydrophobicContact CD1-CD1 4.5Å; I1091-I1104 HydrophobicContact CG2-CD1 3.54Å; L1095-I1104 HydrophobicContact CD1-CG2 4.5Å; L1101-I1104 HydrophobicContact CD2-CB 4Å; L1101-I1104 HydrophobicContact CD2-CD1 4.24Å; L1101-I1104 HydrophobicContact CD2-CG2 4.4Å; I1104-L1106 HydrophobicContact CD1-CD2 4.02Å; I1104-L1106 HydrophobicContact CD1-CG 4.44Å; I1104-L1106 HydrophobicContact CG1-CD2 4.03Å; I1104-L1106 HydrophobicContact CG1-CG 4.15Å; I1104-V1131 PolarHBondContact N-O 2.94Å; I1104-V1132 HydrophobicContact CG2-CB 4.01Å; I1104-V1132 HydrophobicContact CG2-CG1 3.75Å; I1104-V1132 HydrophobicContact CG2-CG2 3.52Å; I1104-V1132 VanDerWaalsContact O-CA 3.3Å; I1104-V1132 WeakPolarHBondContact O-CA 3.38Å; I1104-D1133 PolarHBondContact O-N 3.37Å
1105	N	94.1	Very high	87.4	Confident	8 Å²	8	48.9 Å²	48.9	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.4	176.1	-171.4	-23	0	0	0	110.5	L1076 N1077 L1078 Q1079 Y1103 Q1107 D1133	L1076-N1105 PolarHBondContact O-N 3.43Å; L1076-N1105 VanDerWaalsContact O-N 3.11Å; N1077-N1105 WeakPolarHBondContact OD1-CB 3.2Å; L1078-N1105 CarbonylContact C-O 3.32Å; L1078-N1105 VanDerWaalsContact C-O 3.32Å; L1078-N1105 WeakPolarHBondContact CA-O 3.23Å; L1078-N1105 PolarHBondContact N-O 2.89Å; Q1079-N1105 PolarHBondContact N-O 3.13Å; Q1079-N1105 PolarHBondContact OE1-ND2 3.48Å; Y1103-N1105 HydrophobicContact CE1-CB 3.93Å; Y1103-N1105 WeakPolarHBondContact OH-CB 3.36Å; Y1103-N1105 PolarHBondContact OH-ND2 2.93Å; N1105-Q1107 WeakPolarHBondContact OD1-CB 3.11Å; N1105-Q1107 WeakPolarHBondContact OD1-CG 3.22Å; N1105-Q1107 PolarHBondContact OD1-N 3.36Å; N1105-D1133 HydrophobicContact CB-CB 4.35Å
1106	L	93.7	Very high	87.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.306	C	S	.	.			trans	-120.2	11	-177.8	-58.8	175.2	0	0	0	112.4	L1078 L1083 I1091 I1104 N1109 I1119 V1132 D1133	L1078-L1106 HydrophobicContact CB-CD2 4.17Å; L1078-L1106 HydrophobicContact CD1-CD2 4.15Å; L1083-L1106 HydrophobicContact CD1-CD2 3.82Å; I1091-L1106 HydrophobicContact CG2-CD1 4.09Å; I1091-L1106 HydrophobicContact CG2-CD2 4.39Å; I1104-L1106 HydrophobicContact CD1-CD2 4.02Å; I1104-L1106 HydrophobicContact CD1-CG 4.44Å; I1104-L1106 HydrophobicContact CG1-CD2 4.03Å; I1104-L1106 HydrophobicContact CG1-CG 4.15Å; L1106-N1109 WeakPolarHBondContact CA-ND2 3.44Å; L1106-N1109 WeakPolarHBondContact O-CB 3.33Å; L1106-N1109 PolarHBondContact O-ND2 3.39Å; L1106-I1119 HydrophobicContact CD1-CD1 3.47Å; L1106-I1119 VanDerWaalsContact CD1-CD1 3.47Å; L1106-I1119 HydrophobicContact CD1-CG1 4.39Å; L1106-V1132 HydrophobicContact CD1-CG1 4.05Å; L1106-D1133 WeakPolarHBondContact CA-O 3.22Å; L1106-D1133 PolarHBondContact N-O 3.44Å
1107	Q	93.8	Very high	87.7	Confident	79 Å²	79	51.5 Å²	51.5	37%	0.369	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	148	-179.5	-69.5	-177	-25.9	0	0	112.6	Q1079 E1080 N1105 N1109 D1133 I1134	Q1079-Q1107 CarbonylContact C-O 3.51Å; Q1079-Q1107 VanDerWaalsContact CA-O 3.22Å; Q1079-Q1107 WeakPolarHBondContact CA-O 3.5Å; Q1079-Q1107 HydrophobicContact CG-CB 4.23Å; Q1079-Q1107 WeakPolarHBondContact CG-O 3.43Å; E1080-Q1107 PolarHBondContact N-O 3.32Å; N1105-Q1107 WeakPolarHBondContact OD1-CB 3.11Å; N1105-Q1107 WeakPolarHBondContact OD1-CG 3.22Å; N1105-Q1107 PolarHBondContact OD1-N 3.36Å; Q1107-N1109 VanDerWaalsContact C-N 3.27Å; Q1107-N1109 PolarHBondContact O-N 2.88Å; Q1107-N1109 PolarHBondContact O-ND2 2.89Å; Q1107-D1133 HydrophobicContact CG-CB 4.09Å; Q1107-I1134 WeakPolarHBondContact CA-OXT 3.46Å
1108	G	91.4	Very high	88.4	Confident	56 Å²	56	52.2 Å²	52.2	58%	0.577	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	21.7	175.7	0	0	0	0	0	114.8
1109	N	94.1	Very high	88.8	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.027	31%	0.308	C	S	.	.	S	Bend	trans	-100.7	-0.1	-178	-78.2	-58.3	0	0	0	116	L1078 N1081 S1082 L1083 G1084 L1106 Q1107 I1111	L1078-N1109 PolarHBondContact O-ND2 2.8Å; L1078-N1109 PolarHBondContact O-OD1 2.97Å; N1081-N1109 VanDerWaalsContact C-OD1 3.27Å; N1081-N1109 WeakPolarHBondContact CA-OD1 3.29Å; N1081-N1109 VanDerWaalsContact CB-OD1 3.29Å; N1081-N1109 WeakPolarHBondContact CB-OD1 3.19Å; N1081-N1109 PolarHBondContact N-OD1 3.29Å; S1082-N1109 PolarHBondContact N-OD1 3.01Å; L1083-N1109 HydrophobicContact CB-CB 4.11Å; L1083-N1109 HydrophobicContact CD1-CB 4.06Å; L1083-N1109 HydrophobicContact CG-CB 3.96Å; L1083-N1109 WeakPolarHBondContact CG-OD1 3.35Å; L1083-N1109 PolarHBondContact N-O 2.93Å; G1084-N1109 PolarHBondContact N-O 2.93Å; L1106-N1109 WeakPolarHBondContact CA-ND2 3.44Å; L1106-N1109 WeakPolarHBondContact O-CB 3.33Å; L1106-N1109 PolarHBondContact O-ND2 3.39Å; Q1107-N1109 VanDerWaalsContact C-N 3.27Å; Q1107-N1109 PolarHBondContact O-N 2.88Å; Q1107-N1109 PolarHBondContact O-ND2 2.89Å; N1109-I1111 HydrophobicContact CB-CG2 3.7Å
1110	G	89.8	Confident	89.1	Confident	67 Å²	67	48 Å²	48	69%	0.691	29%	0.294	S	S	*	.			trans	65.1	39.2	179.3	0	0	0	0	0	113.5
1111	I	90.3	Very high	89.2	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.051	29%	0.29	C	S	.	.			trans	-80.7	-16.8	-171.5	70.7	164.4	0	0	0	114.6	M1085 A1088 N1109 G1115 A1116 I1119 I1134	M1085-I1111 WeakPolarHBondContact CA-O 3.44Å; M1085-I1111 WeakPolarHBondContact CB-O 3.35Å; A1088-I1111 HydrophobicContact CB-CB 3.71Å; A1088-I1111 HydrophobicContact CB-CD1 4.13Å; A1088-I1111 HydrophobicContact CB-CG2 3.74Å; N1109-I1111 HydrophobicContact CB-CG2 3.7Å; I1111-G1115 PolarHBondContact O-N 3.35Å; I1111-A1116 HydrophobicContact CD1-CB 4.19Å; I1111-I1119 HydrophobicContact CD1-CD1 3.7Å; I1111-I1134 HydrophobicContact CD1-CG2 3.34Å; I1111-I1134 HydrophobicContact CG1-CG2 4.2Å
1112	G	87.4	Confident	89	Confident	42 Å²	42	46.4 Å²	46.4	43%	0.433	29%	0.289	S	S	.	.	H	α-helix	trans	68.9	168.3	-178.9	0	0	0	0	0	114.8	S1114 G1115 A1116	G1112-S1114 VanDerWaalsContact C-N 3.31Å; G1112-S1114 PolarHBondContact O-N 3.45Å; G1112-G1115 PolarHBondContact O-N 3.04Å; G1112-A1116 PolarHBondContact O-N 2.81Å
1113	E	85.2	Confident	88.6	Confident	179 Å²	179	45.6 Å²	45.6	84%	0.836	28%	0.278	S	S	*	.	H	α-helix	trans	-60.7	-39.1	-178.8	-67.9	-175.4	174.3	0	0	112.6	A1116 K1117	E1113-A1116 PolarHBondContact O-N 3.37Å; E1113-K1117 WeakPolarHBondContact O-CB 3.34Å; E1113-K1117 PolarHBondContact O-N 3.49Å
1114	S	84.2	Confident	87.9	Confident	70 Å²	70	51.6 Å²	51.6	49%	0.49	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-41.8	178.7	-49.5	0	0	0	0	112	G1112 K1117 V1118	G1112-S1114 VanDerWaalsContact C-N 3.31Å; G1112-S1114 PolarHBondContact O-N 3.45Å; S1114-K1117 PolarHBondContact O-N 3.42Å; S1114-V1118 WeakPolarHBondContact O-CG2 3.48Å; S1114-V1118 PolarHBondContact O-N 3.18Å; S1114-V1118 VanDerWaalsContact O-N 3.09Å
1115	G	84.9	Confident	86.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-43	175.2	0	0	0	0	0	112	I1111 G1112 K1117 V1118 I1119	I1111-G1115 PolarHBondContact O-N 3.35Å; G1112-G1115 PolarHBondContact O-N 3.04Å; G1115-K1117 PolarHBondContact O-N 2.74Å; G1115-V1118 PolarHBondContact O-N 3.29Å; G1115-I1119 WeakPolarHBondContact O-CG1 3.49Å; G1115-I1119 PolarHBondContact O-N 3.38Å; G1115-I1119 VanDerWaalsContact O-N 3.13Å
1116	A	86.9	Confident	85.8	Confident	27 Å²	27	56.8 Å²	56.8	22%	0.223	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-42.8	174.9	0	0	0	0	0	112.3	I1111 G1112 E1113 V1118 I1119 S1120 I1134	I1111-A1116 HydrophobicContact CD1-CB 4.19Å; G1112-A1116 PolarHBondContact O-N 2.81Å; E1113-A1116 PolarHBondContact O-N 3.37Å; A1116-V1118 PolarHBondContact O-N 3.28Å; A1116-I1119 PolarHBondContact O-N 3.44Å; A1116-S1120 WeakPolarHBondContact O-CB 3.49Å; A1116-S1120 PolarHBondContact O-N 3.04Å; A1116-I1134 HydrophobicContact CB-CG2 3.86Å
1117	K	87.3	Confident	84.6	Confident	139 Å²	139	57 Å²	57	60%	0.604	34%	0.343	S	S	*	.	H	α-helix	trans	-60	-45.8	176.4	-174.8	177.5	179.2	-179.9	0	111.8	E1113 S1114 G1115 I1119 S1120 D1121	E1113-K1117 WeakPolarHBondContact O-CB 3.34Å; E1113-K1117 PolarHBondContact O-N 3.49Å; S1114-K1117 PolarHBondContact O-N 3.42Å; G1115-K1117 PolarHBondContact O-N 2.74Å; K1117-I1119 VanDerWaalsContact C-N 3.32Å; K1117-I1119 PolarHBondContact O-N 3.15Å; K1117-S1120 WeakPolarHBondContact O-CB 3.38Å; K1117-S1120 PolarHBondContact O-N 3.43Å; K1117-D1121 VanDerWaalsContact O-CG 3.31Å; K1117-D1121 PolarHBondContact O-N 3.32Å
1118	V	88.4	Confident	83.2	Confident	51 Å²	51	58.7 Å²	58.7	31%	0.309	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-38.1	179.8	175.3	0	0	0	0	111.7	I1089 A1092 S1114 G1115 A1116 A1122	I1089-V1118 HydrophobicContact CG1-CG1 4.4Å; A1092-V1118 HydrophobicContact CB-CG1 3.75Å; S1114-V1118 WeakPolarHBondContact O-CG2 3.48Å; S1114-V1118 PolarHBondContact O-N 3.18Å; S1114-V1118 VanDerWaalsContact O-N 3.09Å; G1115-V1118 PolarHBondContact O-N 3.29Å; A1116-V1118 PolarHBondContact O-N 3.28Å; V1118-A1122 WeakPolarHBondContact O-CB 3.42Å; V1118-A1122 PolarHBondContact O-N 3.5Å
1119	I	87.9	Confident	82.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-66.2	-47.1	174.2	-65.5	160.4	0	0	0	110.8	A1088 A1092 L1106 I1111 G1115 A1116 K1117 D1121 A1122 I1123 V1132 I1134	A1088-I1119 HydrophobicContact CB-CD1 3.74Å; A1088-I1119 HydrophobicContact CB-CG1 4.43Å; A1092-I1119 HydrophobicContact CB-CB 4.4Å; A1092-I1119 HydrophobicContact CB-CG1 3.81Å; L1106-I1119 HydrophobicContact CD1-CD1 3.47Å; L1106-I1119 VanDerWaalsContact CD1-CD1 3.47Å; L1106-I1119 HydrophobicContact CD1-CG1 4.39Å; I1111-I1119 HydrophobicContact CD1-CD1 3.7Å; G1115-I1119 WeakPolarHBondContact O-CG1 3.49Å; G1115-I1119 PolarHBondContact O-N 3.38Å; G1115-I1119 VanDerWaalsContact O-N 3.13Å; A1116-I1119 PolarHBondContact O-N 3.44Å; K1117-I1119 VanDerWaalsContact C-N 3.32Å; K1117-I1119 PolarHBondContact O-N 3.15Å; I1119-D1121 VanDerWaalsContact C-N 3.32Å; I1119-D1121 PolarHBondContact O-N 3.02Å; I1119-A1122 PolarHBondContact O-N 3.43Å; I1119-I1123 HydrophobicContact CG2-CD1 3.72Å; I1119-I1123 HydrophobicContact CG2-CG1 4.34Å; I1119-I1123 WeakPolarHBondContact O-CD1 3.49Å; I1119-I1123 VanDerWaalsContact O-CG1 3.3Å; I1119-I1123 WeakPolarHBondContact O-CG1 3.35Å; I1119-I1123 PolarHBondContact O-N 3.17Å; I1119-V1132 HydrophobicContact CG2-CB 4.5Å; I1119-V1132 HydrophobicContact CG2-CG1 3.79Å; I1119-I1134 HydrophobicContact CB-CD1 3.81Å; I1119-I1134 HydrophobicContact CD1-CD1 4.03Å; I1119-I1134 HydrophobicContact CD1-CG1 4.43Å; I1119-I1134 HydrophobicContact CG2-CD1 3.57Å; I1119-I1134 HydrophobicContact CG2-CG1 4.44Å
1120	S	84.4	Confident	81.7	Confident	47 Å²	47	59.4 Å²	59.4	33%	0.329	37%	0.368	S	S	.	.	H	α-helix	trans	-55.6	-46.2	176.4	162.2	0	0	0	0	112	A1116 K1117 A1122 I1123 R1124	A1116-S1120 WeakPolarHBondContact O-CB 3.49Å; A1116-S1120 PolarHBondContact O-N 3.04Å; K1117-S1120 WeakPolarHBondContact O-CB 3.38Å; K1117-S1120 PolarHBondContact O-N 3.43Å; S1120-A1122 PolarHBondContact O-N 3.47Å; S1120-I1123 PolarHBondContact O-N 2.91Å; S1120-R1124 WeakPolarHBondContact O-CB 3.44Å; S1120-R1124 PolarHBondContact O-N 3.36Å; S1120-R1124 VanDerWaalsContact O-N 3.09Å
1121	D	85.1	Confident	81.6	Confident	75 Å²	75	60.3 Å²	60.3	40%	0.401	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-38.3	179.3	-69.4	-17	0	0	0	111.6	K1117 I1119 A1125	K1117-D1121 VanDerWaalsContact O-CG 3.31Å; K1117-D1121 PolarHBondContact O-N 3.32Å; I1119-D1121 VanDerWaalsContact C-N 3.32Å; I1119-D1121 PolarHBondContact O-N 3.02Å; D1121-A1125 WeakPolarHBondContact O-CB 3.49Å; D1121-A1125 PolarHBondContact O-N 3.49Å; D1121-A1125 VanDerWaalsContact O-N 3.13Å
1122	A	83.9	Confident	81.4	Confident	1 Å²	1	61 Å²	61	1%	0.008	37%	0.365	C	S	.	.	H	α-helix	trans	-64.9	-42.5	176.6	0	0	0	0	0	112.9	A1092 K1096 V1118 I1119 S1120 S1126	A1092-A1122 HydrophobicContact CB-CB 4.07Å; A1092-A1122 WeakPolarHBondContact O-CB 3.35Å; K1096-A1122 HydrophobicContact CG-CB 3.94Å; V1118-A1122 WeakPolarHBondContact O-CB 3.42Å; V1118-A1122 PolarHBondContact O-N 3.5Å; I1119-A1122 PolarHBondContact O-N 3.43Å; S1120-A1122 PolarHBondContact O-N 3.47Å; A1122-S1126 PolarHBondContact O-N 3.43Å; A1122-S1126 VanDerWaalsContact O-N 3.13Å
1123	I	81.8	Confident	81.4	Confident	34 Å²	34	61.5 Å²	61.5	17%	0.174	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-47.8	177.4	-63.2	159.1	0	0	0	110.1	I1119 S1120 A1125 A1127 V1132	I1119-I1123 HydrophobicContact CG2-CD1 3.72Å; I1119-I1123 HydrophobicContact CG2-CG1 4.34Å; I1119-I1123 WeakPolarHBondContact O-CD1 3.49Å; I1119-I1123 VanDerWaalsContact O-CG1 3.3Å; I1119-I1123 WeakPolarHBondContact O-CG1 3.35Å; I1119-I1123 PolarHBondContact O-N 3.17Å; S1120-I1123 PolarHBondContact O-N 2.91Å; I1123-A1125 VanDerWaalsContact C-N 3.3Å; I1123-A1125 PolarHBondContact O-N 3.09Å; I1123-A1127 CarbonylContact O-C 3.47Å; I1123-A1127 VanDerWaalsContact O-C 3.29Å; I1123-A1127 PolarHBondContact O-N 3.02Å; I1123-A1127 VanDerWaalsContact O-N 3.09Å; I1123-V1132 HydrophobicContact CD1-CB 3.63Å; I1123-V1132 HydrophobicContact CD1-CG1 4.34Å; I1123-V1132 HydrophobicContact CD1-CG2 3.27Å; I1123-V1132 HydrophobicContact CG1-CG2 3.82Å
1124	R	77.6	Confident	81.2	Confident	193 Å²	193	56.9 Å²	56.9	73%	0.728	34%	0.338	S	S	*	.	H	α-helix	trans	-61.3	-37.8	-178	-169.3	-177.6	-57.3	-177.8	4.3	112.7	S1120	S1120-R1124 WeakPolarHBondContact O-CB 3.44Å; S1120-R1124 PolarHBondContact O-N 3.36Å; S1120-R1124 VanDerWaalsContact O-N 3.09Å
1125	A	73.4	Confident	81.1	Confident	78 Å²	78	56.2 Å²	56.2	65%	0.645	33%	0.33	S	S	*	.	H	α-helix	trans	-85.2	-29.6	-174.7	0	0	0	0	0	114	D1121 I1123	D1121-A1125 WeakPolarHBondContact O-CB 3.49Å; D1121-A1125 PolarHBondContact O-N 3.49Å; D1121-A1125 VanDerWaalsContact O-N 3.13Å; I1123-A1125 VanDerWaalsContact C-N 3.3Å; I1123-A1125 PolarHBondContact O-N 3.09Å
1126	S	70.1	Confident	80.9	Confident	39 Å²	39	59.2 Å²	59.2	27%	0.273	35%	0.347	S	S	.	.	H	α-helix	trans	-148.6	-9.7	-163.1	-54.1	0	0	0	0	116.2	H1099 A1122	H1099-S1126 PolarHBondContact CD2-O 3.5Å; H1099-S1126 VanDerWaalsContact CD2-O 3.26Å; H1099-S1126 PolarHBondContact NE2-O 2.9Å; A1122-S1126 PolarHBondContact O-N 3.43Å; A1122-S1126 VanDerWaalsContact O-N 3.13Å
1127	A	68.2	Low	80.6	Confident	5 Å²	5	60.9 Å²	60.9	4%	0.041	35%	0.354	C	S	.	.			trans	-141	56.1	179.8	0	0	0	0	0	113.1	I1123 G1129 C1130	I1123-A1127 CarbonylContact O-C 3.47Å; I1123-A1127 VanDerWaalsContact O-C 3.29Å; I1123-A1127 PolarHBondContact O-N 3.02Å; I1123-A1127 VanDerWaalsContact O-N 3.09Å; A1127-G1129 PolarHBondContact O-N 3.29Å; A1127-C1130 HydrophobicContact CB-CB 4.41Å; A1127-C1130 PolarHBondContact O-N 3.5Å; A1127-C1130 VanDerWaalsContact O-N 3.14Å
1128	P	64.1	Low	80.2	Confident	114 Å²	114	56.4 Å²	56.4	74%	0.74	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.6	-171.7	27.6	-35.9	0	0	0	114.5
1129	G	72.4	Confident	79.7	Confident	67 Å²	67	56.7 Å²	56.7	69%	0.691	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-4.1	177.7	0	0	0	0	0	115.3	A1127	A1127-G1129 PolarHBondContact O-N 3.29Å
1130	C	83.1	Confident	79.1	Confident	9 Å²	9	60.5 Å²	60.5	6%	0.061	36%	0.364	C	S	.	.			trans	-93.8	123.7	179.4	-173.8	0	0	0	0	110.8	L1101 A1102 A1127	L1101-C1130 VanDerWaalsContact O-CB 3.29Å; L1101-C1130 WeakPolarHBondContact O-CB 3.48Å; L1101-C1130 PolarHBondContact O-SG 3.15Å; L1101-C1130 VanDerWaalsContact O-SG 3.41Å; A1102-C1130 WeakPolarHBondContact O-CA 3.41Å; A1127-C1130 HydrophobicContact CB-CB 4.41Å; A1127-C1130 PolarHBondContact O-N 3.5Å; A1127-C1130 VanDerWaalsContact O-N 3.14Å
1131	V	86.6	Confident	78.7	Confident	86 Å²	86	61.4 Å²	61.4	52%	0.521	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.3	171	-179.9	0	0	0	0	108.8	A1102 Y1103 I1104	A1102-V1131 PolarHBondContact O-N 3.02Å; Y1103-V1131 WeakPolarHBondContact CA-O 3.46Å; Y1103-V1131 HydrophobicContact CD2-CB 4.18Å; Y1103-V1131 HydrophobicContact CD2-CG1 4.19Å; Y1103-V1131 HydrophobicContact CE2-CG1 4.45Å; I1104-V1131 PolarHBondContact N-O 2.94Å
1132	V	87.2	Confident	78.2	Confident	26 Å²	26	60.4 Å²	60.4	16%	0.158	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.7	-178.8	-173.5	0	0	0	0	109.6	L1095 I1104 L1106 I1119 I1123 I1134	L1095-V1132 HydrophobicContact CD1-CG2 4.36Å; I1104-V1132 HydrophobicContact CG2-CB 4.01Å; I1104-V1132 HydrophobicContact CG2-CG1 3.75Å; I1104-V1132 HydrophobicContact CG2-CG2 3.52Å; I1104-V1132 VanDerWaalsContact O-CA 3.3Å; I1104-V1132 WeakPolarHBondContact O-CA 3.38Å; L1106-V1132 HydrophobicContact CD1-CG1 4.05Å; I1119-V1132 HydrophobicContact CG2-CB 4.5Å; I1119-V1132 HydrophobicContact CG2-CG1 3.79Å; I1123-V1132 HydrophobicContact CD1-CB 3.63Å; I1123-V1132 HydrophobicContact CD1-CG1 4.34Å; I1123-V1132 HydrophobicContact CD1-CG2 3.27Å; I1123-V1132 HydrophobicContact CG1-CG2 3.82Å; V1132-I1134 HydrophobicContact CG1-CD1 4.06Å; V1132-I1134 HydrophobicContact CG1-CG1 3.67Å
1133	D	87.3	Confident	77.8	Confident	51 Å²	51	65.3 Å²	65.3	27%	0.273	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.2	171.2	-65.4	-27.1	0	0	0	108.5	Y1103 I1104 N1105 L1106 Q1107	Y1103-D1133 VanDerWaalsContact CE2-OD2 3.27Å; Y1103-D1133 WeakPolarHBondContact CE2-OD2 3.41Å; Y1103-D1133 PolarHBondContact OH-OD2 3.15Å; I1104-D1133 PolarHBondContact O-N 3.37Å; N1105-D1133 HydrophobicContact CB-CB 4.35Å; L1106-D1133 WeakPolarHBondContact CA-O 3.22Å; L1106-D1133 PolarHBondContact N-O 3.44Å; Q1107-D1133 HydrophobicContact CG-CB 4.09Å
1134	I	81.4	Confident	77.4	Confident	82 Å²	82	68.2 Å²	68.2	42%	0.421	41%	0.414	S	S	.	.			trans	-121.1	0	-174.8	-65.1	177.4	0	0	0	110.7	Q1107 I1111 A1116 I1119 V1132	Q1107-I1134 WeakPolarHBondContact CA-OXT 3.46Å; I1111-I1134 HydrophobicContact CD1-CG2 3.34Å; I1111-I1134 HydrophobicContact CG1-CG2 4.2Å; A1116-I1134 HydrophobicContact CB-CG2 3.86Å; I1119-I1134 HydrophobicContact CB-CD1 3.81Å; I1119-I1134 HydrophobicContact CD1-CD1 4.03Å; I1119-I1134 HydrophobicContact CD1-CG1 4.43Å; I1119-I1134 HydrophobicContact CG2-CD1 3.57Å; I1119-I1134 HydrophobicContact CG2-CG1 4.44Å; V1132-I1134 HydrophobicContact CG1-CD1 4.06Å; V1132-I1134 HydrophobicContact CG1-CG1 3.67Å

Retrieved 1,134 of 1,134 residues in 615 ms (Link to these results)

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