A0A077ZBD6_TRITR Loading...

Probable DNA-directed RNA polymerase II subunit RPB11

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Component of RNA polymerase II which synthesizes mRNA precursors and many functional non-coding RNAs. Pol II is the central component of the basal RNA polymerase II transcription machinery. It is composed of mobile elements that move relative to each other. RPB11 is part of the core element with the central large cleft.

AlphaFold DB , UniProt , Accession A0A077ZBD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,110 aa.

						>A0A077ZBD6_TRITR|A0A077ZBD6
MDGELYDEFGNYIGPDFESDEDDDYDFDYAREVREEAATAEDEARDEVERVAAVEDDMESDAVVLHEDKKYYPSAMEVYGPDVETVVQEEDTQPLTEPISMEHNLPDTVYNKEYMADMMDCTALIRNVALAGHLHHGKTCFVDCLIEQTHPAFTRRDDRDTRYTDTLNTEYERGVSIKSMPVTLVMQDTRHKSYLMNIFDTPGHVNFSDEVSAAFRLCDGVMIFVDAHEGVMLNTERLLKMALTENIAITLCINKIDRLILELKLPPTEAYFKMRHVLDDVNNLVSTLKGTSETNPCFSPLLGNVCFASGRYNICFSLVSFAHLYKEAYGNIEASEFARRLWGDIYFNKKTRKFVRKAPNSETPRTFVQFILEPLYKIFSQIVGEVDTTLPRVMSELGIRLSKEEQKSNIRPLLSIICRRFFGDFTSFVDVVTQHVPSPVTNGFSKMELNYTGPTKSDIWDALVSCDPDGPLMVQTTKNYTTPDTSSFYAFGRVFSGTLHAQQDVKILGENYTLQDEEDSRVMTVGRLWVCESRSVQYRSKSRAGGKLGVDRRHRRANSENGNHYGCRAERGCKNFKCQDDCHVLTMLYWQVYIFRPLKFNTRSVIKIAVEPVNPSELPKMLDGLRKVNKSYPLLSTRVEESGEHVILGTGELYLDCVLHDVRKVFSEIDIKVADPVVAFCETVVETSALKCFAETPNRKNKLTMIAEPLERGLAEDIENEAVQISWNRKKLGEFFQTKYNWDLLAARSIWAFGPDNVGPNILVDDTLPSEVNKTLLSAIKDSVVQGFQWASREGPLCEEPIRNVKFKLLDAVIAEEPLYHGGGQVIPTARRVAYSAFLMATPRLMEPYYFVEVTAPADCVSAVYTVLARRRGHVTQDLPIPGSPLYTIKAFIPAIDSFGFETDLRTHTQGQAFCLSVFHHWQIVPGDPLDKSIYIKPLEPQPATHLAREFMIKTRRRKGLSEDVSVNKFFDDPMLLELAKQDVIIAFEVSGSMNAPPSFESFLLFHGEQKVTVQKETKVPNAYLFIINKEDHTLGNLLKDKLLEDRRVLFAGYKQPHPLEHKIYLRVQTTPDYHPVRAVKEALTELIAEINQLEEDFREAIKDRLVNVA
					

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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	46	Very low	64.8	Low	232 Å²	232	126.4 Å²	126.4	100%	1.143	67%	0.667	S	S	*	*				0	108.2	0	-71.8	-171.4	-175.2	0	0	104.6
2	D	46.6	Very low	66	Low	131 Å²	131	124.8 Å²	124.8	70%	0.701	65%	0.646	S	S	*	*			trans	-86.9	120.7	-167.3	-55.8	-37.2	0	0	0	108.8	E4	D2-E4 PolarHBondContact O-N 3.1Å
3	G	52.6	Low	67.1	Low	72 Å²	72	123.1 Å²	123.1	74%	0.742	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	14.6	-169.6	0	0	0	0	0	115.3
4	E	63	Low	67.6	Low	180 Å²	180	115.4 Å²	115.4	84%	0.841	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-7.2	-179	-61.9	-174.8	164.3	0	0	112.8	D2	D2-E4 PolarHBondContact O-N 3.1Å
5	L	67.7	Low	67.4	Low	76 Å²	76	114.7 Å²	114.7	40%	0.398	61%	0.609	S	S	.	*	S	Bend	trans	-96.3	-0.4	179.3	-72.3	168.1	0	0	0	114.3	Y12 I13	L5-Y12 HydrophobicContact CB-CE2 4.31Å; L5-Y12 WeakPolarHBondContact O-CD2 3.18Å; L5-I13 WeakPolarHBondContact O-CG1 2.97Å; L5-I13 PolarHBondContact O-N 3.26Å
6	Y	78.5	Confident	66.1	Low	131 Å²	131	117.6 Å²	117.6	51%	0.514	62%	0.624	S	S	.	*	B	Isolated β-bridge	trans	-132.1	141.4	179.6	-66.2	-92.6	0	0	0	110.2	N11 Y12	Y6-N11 CarbonylContact C-O 3.58Å; Y6-N11 VanDerWaalsContact CA-O 3.23Å; Y6-N11 WeakPolarHBondContact CA-O 3.28Å; Y6-Y12 AromaticContact CE1-CD2 3.94Å; Y6-Y12 HydrophobicContact CE1-CD2 3.94Å; Y6-Y12 HydrophobicContact CE1-CG 4.38Å; Y6-Y12 HydrophobicContact CE2-CD2 4.2Å; Y6-Y12 AromaticContact CZ-CD2 3.76Å
7	D	83.6	Confident	64.9	Low	50 Å²	50	121.5 Å²	121.5	27%	0.267	64%	0.635	S	S	.	*			trans	-75.6	173.9	175.5	75.9	3.8	0	0	0	112.4	F9 G10 N11 I13	D7-F9 PolarHBondContact O-N 2.93Å; D7-F9 VanDerWaalsContact OD1-C 3.3Å; D7-F9 WeakPolarHBondContact OD1-CA 3.45Å; D7-F9 WeakPolarHBondContact OD1-CB 3.38Å; D7-F9 PolarHBondContact OD1-N 3.45Å; D7-G10 PolarHBondContact O-N 3.17Å; D7-G10 PolarHBondContact OD1-N 3.17Å; D7-N11 PolarHBondContact N-O 2.97Å; D7-N11 PolarHBondContact OD1-N 3.08Å; D7-N11 PolarHBondContact OD1-ND2 2.77Å; D7-N11 PolarHBondContact OD2-ND2 3.21Å; D7-I13 HydrophobicContact CB-CD1 4.15Å; D7-I13 HydrophobicContact CB-CG2 4.17Å
8	E	68.1	Low	63.3	Low	196 Å²	196	125 Å²	125	92%	0.916	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-4.6	178.9	-61.5	-176.4	-174.7	0	0	114
9	F	64.1	Low	61.7	Low	176 Å²	176	123.7 Å²	123.7	77%	0.772	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-2.3	176.1	-57.8	-78	0	0	0	113	D7	D7-F9 PolarHBondContact O-N 2.93Å; D7-F9 VanDerWaalsContact OD1-C 3.3Å; D7-F9 WeakPolarHBondContact OD1-CA 3.45Å; D7-F9 WeakPolarHBondContact OD1-CB 3.38Å; D7-F9 PolarHBondContact OD1-N 3.45Å
10	G	69.5	Low	60.3	Low	53 Å²	53	125.7 Å²	125.7	55%	0.546	66%	0.662	S	S	.	*	S	Bend	trans	87.3	12.2	178.6	0	0	0	0	0	115	D7	D7-G10 PolarHBondContact O-N 3.17Å; D7-G10 PolarHBondContact OD1-N 3.17Å
11	N	73.5	Confident	58.8	Low	93 Å²	93	127.5 Å²	127.5	50%	0.497	67%	0.667	S	S	.	*			trans	-79.6	139	173.8	-52.7	-58.8	0	0	0	110	Y6 D7 I13	Y6-N11 CarbonylContact C-O 3.58Å; Y6-N11 VanDerWaalsContact CA-O 3.23Å; Y6-N11 WeakPolarHBondContact CA-O 3.28Å; D7-N11 PolarHBondContact N-O 2.97Å; D7-N11 PolarHBondContact OD1-N 3.08Å; D7-N11 PolarHBondContact OD1-ND2 2.77Å; D7-N11 PolarHBondContact OD2-ND2 3.21Å; N11-I13 PolarHBondContact O-N 2.92Å
12	Y	78.5	Confident	58	Low	107 Å²	107	123.3 Å²	123.3	42%	0.42	65%	0.649	S	S	.	*	B	Isolated β-bridge	trans	-70.4	126.4	173.7	-179.3	-104.8	0	0	0	110.1	L5 Y6	L5-Y12 HydrophobicContact CB-CE2 4.31Å; L5-Y12 WeakPolarHBondContact O-CD2 3.18Å; Y6-Y12 AromaticContact CE1-CD2 3.94Å; Y6-Y12 HydrophobicContact CE1-CD2 3.94Å; Y6-Y12 HydrophobicContact CE1-CG 4.38Å; Y6-Y12 HydrophobicContact CE2-CD2 4.2Å; Y6-Y12 AromaticContact CZ-CD2 3.76Å
13	I	81.2	Confident	57.3	Low	103 Å²	103	124.6 Å²	124.6	53%	0.528	66%	0.656	S	S	.	*			trans	-122.7	16.9	-179.2	53.1	169	0	0	0	112.1	L5 D7 N11	L5-I13 WeakPolarHBondContact O-CG1 2.97Å; L5-I13 PolarHBondContact O-N 3.26Å; D7-I13 HydrophobicContact CB-CD1 4.15Å; D7-I13 HydrophobicContact CB-CG2 4.17Å; N11-I13 PolarHBondContact O-N 2.92Å
14	G	73.6	Confident	56.1	Low	15 Å²	15	128 Å²	128	16%	0.155	66%	0.657	C	S	.	*	S	Bend	trans	-69.7	166.3	167.7	0	0	0	0	0	112.1
15	P	64.1	Low	54.7	Low	106 Å²	106	130 Å²	130	69%	0.688	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-60.5	147.9	-178.3	26.4	-34.6	0	0	0	111.9
16	D	47.3	Very low	52.8	Low	160 Å²	160	133.4 Å²	133.4	86%	0.856	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-55.7	139.6	175.3	-65.8	-53.6	0	0	0	110.7	E18	D16-E18 PolarHBondContact O-N 2.9Å
17	F	45.6	Very low	50.5	Low	185 Å²	185	137.2 Å²	137.2	81%	0.811	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-63.7	127.1	172.1	-71.1	-86	0	0	0	109.1	S19	F17-S19 PolarHBondContact O-N 3.29Å
18	E	36.8	Very low	48	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.2	172.7	-71.1	-176.7	145.4	0	0	109.1	D16 D20	D16-E18 PolarHBondContact O-N 2.9Å; E18-D20 PolarHBondContact O-N 3.4Å
19	S	31.8	Very low	46.1	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	71%	0.713	S	S	*	*			trans	-73.6	103.9	174.2	51.2	0	0	0	0	108.8	F17 E21	F17-S19 PolarHBondContact O-N 3.29Å; S19-E21 PolarHBondContact O-N 3.12Å
20	D	33.4	Very low	44.4	Very low	164 Å²	164	137.2 Å²	137.2	88%	0.877	71%	0.708	S	S	*	*			trans	-66	98.1	165.3	-74.1	-33.1	0	0	0	108.6	E18	E18-D20 PolarHBondContact O-N 3.4Å
21	E	29.9	Very low	42.5	Very low	164 Å²	164	144.6 Å²	144.6	77%	0.766	72%	0.719	S	S	*	*			trans	-73.7	146.9	161.1	-67.4	-177.6	140.6	0	0	109.4	S19	S19-E21 PolarHBondContact O-N 3.12Å
22	D	29.5	Very low	40.3	Very low	143 Å²	143	146.7 Å²	146.7	77%	0.765	73%	0.725	S	S	*	*			trans	62.4	95.9	161.1	-55.4	-15.6	0	0	0	119.5
23	D	32	Very low	37.8	Very low	159 Å²	159	147 Å²	147	85%	0.85	74%	0.738	S	S	*	*			trans	-137.6	97.3	142.8	-120.5	-17.6	0	0	0	109.5	Y25	D23-Y25 PolarHBondContact O-N 2.7Å
24	D	26.9	Very low	35.2	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	75%	0.748	S	S	*	*			trans	-69.3	117.9	-178.4	-85.9	-41.6	0	0	0	112.4
25	Y	33.8	Very low	33	Very low	222 Å²	222	156.5 Å²	156.5	87%	0.871	77%	0.768	S	S	*	*			trans	-139.9	93.6	153.8	-79.5	-66.5	0	0	0	112.6	D23	D23-Y25 PolarHBondContact O-N 2.7Å
26	D	28.2	Very low	31.2	Very low	147 Å²	147	160 Å²	160	79%	0.786	78%	0.776	S	S	*	*			trans	-49.5	137.6	165.6	-94.8	-35.4	0	0	0	112.4
27	F	28.7	Very low	30.1	Very low	212 Å²	212	156.7 Å²	156.7	93%	0.93	77%	0.77	S	S	*	*			trans	-143.4	84.2	150.9	-128.2	-80.4	0	0	0	111.1
28	D	31.4	Very low	29.2	Very low	133 Å²	133	152 Å²	152	71%	0.711	77%	0.765	S	S	*	*			trans	-90.9	159	-178.3	-150.7	5.2	0	0	0	113.2
29	Y	29	Very low	28.7	Very low	210 Å²	210	149.8 Å²	149.8	82%	0.824	77%	0.765	S	S	*	*			trans	-43.7	128.3	-163.1	-89.7	-115.8	0	0	0	121
30	A	28.3	Very low	28.6	Very low	79 Å²	79	149.1 Å²	149.1	65%	0.653	77%	0.765	S	S	*	*				47.6	134.7	117.9	0	0	0	0	0	122.7
31	R	28.7	Very low	28.3	Very low	208 Å²	208	149.8 Å²	149.8	79%	0.785	76%	0.763	S	S	*	*				-169.2	134	111.9	-114.2	-177.4	144.5	144.5	-3.6	117.1
32	E	26.9	Very low	28.1	Very low	136 Å²	136	148.7 Å²	148.7	64%	0.636	76%	0.762	S	S	*	*			trans	56.1	119.9	135.8	-78.5	172.5	-154.3	0	0	123.5
33	V	27.4	Very low	27.9	Very low	114 Å²	114	149.9 Å²	149.9	69%	0.691	76%	0.764	S	S	*	*				93.5	113.8	119.2	169.5	0	0	0	0	121.1
34	R	26.2	Very low	28	Very low	195 Å²	195	146.6 Å²	146.6	74%	0.736	76%	0.758	S	S	*	*			trans	100.2	131.8	135.4	-98.6	174.3	157.4	142.7	-2	124
35	E	27.5	Very low	28.1	Very low	123 Å²	123	150 Å²	150	58%	0.575	76%	0.761	S	S	*	*			trans	65.4	109	139.6	-77.8	151.8	-163.5	0	0	118.1
36	E	25.1	Very low	27.8	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	75%	0.75	S	S	*	*				87.8	137.3	93.7	-80.7	-175.6	-178.6	0	0	112.3
37	A	26.2	Very low	27.7	Very low	90 Å²	90	146.8 Å²	146.8	74%	0.744	75%	0.752	S	S	*	*			cis	-166	-172.9	-6.5	0	0	0	0	0	110.1
38	A	26.5	Very low	28	Very low	86 Å²	86	142.5 Å²	142.5	71%	0.711	74%	0.743	S	S	*	*			trans	85.9	104.3	152.1	0	0	0	0	0	120.8
39	T	26.1	Very low	27.9	Very low	137 Å²	137	142.5 Å²	142.5	84%	0.84	74%	0.739	S	S	*	*				8	152	114.7	53.3	0	0	0	0	121.2
40	A	28.9	Very low	27.8	Very low	87 Å²	87	142.6 Å²	142.6	72%	0.719	74%	0.738	S	S	*	*			trans	112.3	127.2	163	0	0	0	0	0	111.8
41	E	26.2	Very low	28.1	Very low	177 Å²	177	145.9 Å²	145.9	83%	0.827	75%	0.749	S	S	*	*				50.1	93.6	59.8	-62.1	-175.6	155	0	0	108.9
42	D	27.4	Very low	28.1	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	74%	0.744	S	S	*	*				-171.3	150.4	84.5	-92.6	-30.5	0	0	0	113.6
43	E	25.2	Very low	28.2	Very low	169 Å²	169	137.8 Å²	137.8	79%	0.79	75%	0.751	S	S	*	*			trans	37.9	108.8	141.3	-54.2	-166.5	148.6	0	0	122.2
44	A	32.4	Very low	28.5	Very low	89 Å²	89	138.7 Å²	138.7	74%	0.736	76%	0.756	S	S	*	*				178.9	120.5	119.5	0	0	0	0	0	108.6
45	R	29.2	Very low	28.8	Very low	216 Å²	216	137.5 Å²	137.5	82%	0.815	76%	0.759	S	S	*	*				52.1	135.7	78	-63.3	-160.6	-174.5	144	7.2	113.3
46	D	27.4	Very low	29.2	Very low	121 Å²	121	138.9 Å²	138.9	65%	0.647	77%	0.77	S	S	*	*			cis	-177.7	165.1	-9.5	-108.3	-40	0	0	0	105.2
47	E	27.4	Very low	29.4	Very low	179 Å²	179	137.8 Å²	137.8	84%	0.836	77%	0.77	S	S	*	*			trans	63.2	146.3	156.3	-67.2	168.1	170.5	0	0	117.3
48	V	35.6	Very low	29.9	Very low	122 Å²	122	142.1 Å²	142.1	74%	0.739	78%	0.777	S	S	*	*			cis	-140.2	116.1	17.3	-179.8	0	0	0	0	106.7
49	E	28.1	Very low	30.4	Very low	133 Å²	133	147.7 Å²	147.7	62%	0.621	79%	0.789	S	S	*	*				55.2	118.7	96.3	-94.8	-158.7	140.7	0	0	118.7
50	R	27.3	Very low	31.3	Very low	213 Å²	213	146 Å²	146	80%	0.804	78%	0.782	S	S	*	*			trans	50	120.3	132.5	-61.9	173.1	178.6	165.4	-3.6	120.7
51	V	34.3	Very low	32.2	Very low	147 Å²	147	149.8 Å²	149.8	89%	0.891	79%	0.79	S	S	*	*				-138.9	132.1	115.6	-179.2	0	0	0	0	110.6
52	A	28.7	Very low	33.9	Very low	80 Å²	80	145 Å²	145	66%	0.661	78%	0.781	S	S	*	*			trans	-16.7	142.8	166.1	0	0	0	0	0	119.3
53	A	29.5	Very low	36	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	78%	0.781	S	S	*	*			cis	83.3	92.5	44	0	0	0	0	0	115
54	V	33.2	Very low	38.1	Very low	133 Å²	133	140.5 Å²	140.5	81%	0.806	77%	0.77	S	S	*	*			trans	-174.5	140.4	164.6	-106.2	0	0	0	0	104.5
55	E	32.8	Very low	40.3	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	76%	0.758	S	S	*	*			cis	-135.1	166.5	1.5	-77.7	141.1	179.3	0	0	106.7
56	D	34.8	Very low	42.6	Very low	151 Å²	151	137.6 Å²	137.6	81%	0.807	75%	0.752	S	S	*	*			cis	-159.6	158.9	1.1	-123.5	-12.8	0	0	0	110.3
57	D	30.2	Very low	44.9	Very low	157 Å²	157	139.5 Å²	139.5	84%	0.84	76%	0.757	S	S	*	*			trans	-73.5	129.4	166.4	-77.1	-58	0	0	0	111
58	M	35.7	Very low	47.1	Very low	182 Å²	182	136.1 Å²	136.1	90%	0.897	75%	0.745	S	S	*	*			trans	-140.4	117.4	148.4	-82.9	-149.7	-64.4	0	0	111.2	S60	M58-S60 PolarHBondContact O-N 2.77Å
59	E	38.1	Very low	49.1	Very low	203 Å²	203	135.6 Å²	135.6	95%	0.949	73%	0.733	S	S	*	*			trans	-53.8	129.2	166.8	-63.1	171.3	133.3	0	0	109.9
60	S	44.3	Very low	51.2	Low	101 Å²	101	138.6 Å²	138.6	71%	0.706	74%	0.744	S	S	*	*			trans	-124.7	120.8	154.7	58.5	0	0	0	0	108.5	M58 A62	M58-S60 PolarHBondContact O-N 2.77Å; S60-A62 PolarHBondContact O-N 3.42Å
61	D	48.6	Very low	53.6	Low	167 Å²	167	134.8 Å²	134.8	89%	0.893	73%	0.73	S	S	*	*			trans	-67.1	69.1	164.5	-85.6	-40.7	0	0	0	108.9	V63	D61-V63 VanDerWaalsContact C-N 3.32Å; D61-V63 PolarHBondContact O-N 3.17Å
62	A	62.1	Low	55.7	Low	77 Å²	77	137.2 Å²	137.2	64%	0.636	73%	0.725	S	S	*	*			trans	-70	91.9	172.3	0	0	0	0	0	108.3	S60 V64	S60-A62 PolarHBondContact O-N 3.42Å; A62-V64 PolarHBondContact O-N 3.15Å
63	V	71.3	Confident	58	Low	124 Å²	124	137.2 Å²	137.2	75%	0.752	72%	0.718	S	S	*	*			trans	-61.2	102.1	175.3	178.7	0	0	0	0	108.9	D61 L65	D61-V63 VanDerWaalsContact C-N 3.32Å; D61-V63 PolarHBondContact O-N 3.17Å; V63-L65 PolarHBondContact O-N 2.98Å
64	V	69	Low	60.3	Low	90 Å²	90	135.6 Å²	135.6	55%	0.545	70%	0.701	S	S	.	*			trans	-64.2	117.1	167.7	-176.1	0	0	0	0	107.6	A62 D68 K69	A62-V64 PolarHBondContact O-N 3.15Å; V64-D68 HydrophobicContact CG1-CB 4.07Å; V64-K69 HydrophobicContact CG1-CB 4.13Å
65	L	78.3	Confident	62.4	Low	93 Å²	93	131.2 Å²	131.2	49%	0.487	68%	0.679	S	S	.	*			trans	-57.8	151.3	175.8	-64.1	172.4	0	0	0	109.6	V63 E67 D68 K69	V63-L65 PolarHBondContact O-N 2.98Å; L65-E67 HydrophobicContact CB-CG 3.98Å; L65-E67 PolarHBondContact O-N 2.96Å; L65-D68 PolarHBondContact O-N 3.02Å; L65-D68 VanDerWaalsContact O-N 3.08Å; L65-K69 PolarHBondContact O-N 3.31Å; L65-K69 VanDerWaalsContact O-N 3.17Å
66	H	77.3	Confident	64.4	Low	152 Å²	152	128.6 Å²	128.6	70%	0.704	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-30	-176.1	-175.7	66.8	0	0	0	112.6	Y71	H66-Y71 PolarHBondContact CE1-OH 3.19Å; H66-Y71 PolarHBondContact ND1-OH 3Å
67	E	75.9	Confident	66.6	Low	161 Å²	161	128.2 Å²	128.2	75%	0.752	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-37.6	174.7	61.5	-152.4	135.2	0	0	113.4	L65 K69	L65-E67 HydrophobicContact CB-CG 3.98Å; L65-E67 PolarHBondContact O-N 2.96Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.46Å
68	D	73	Confident	69	Low	107 Å²	107	124.8 Å²	124.8	57%	0.572	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-0.2	179	-64.9	-47	0	0	0	113.7	V64 L65 K70	V64-D68 HydrophobicContact CG1-CB 4.07Å; L65-D68 PolarHBondContact O-N 3.02Å; L65-D68 VanDerWaalsContact O-N 3.08Å; D68-K70 PolarHBondContact O-N 3.33Å
69	K	78	Confident	71	Confident	111 Å²	111	123.4 Å²	123.4	48%	0.483	63%	0.632	S	S	.	*			trans	-74.8	89.4	-174.6	-168.6	162.8	-176.3	171	0	111.5	V64 L65 E67 Y71	V64-K69 HydrophobicContact CG1-CB 4.13Å; L65-K69 PolarHBondContact O-N 3.31Å; L65-K69 VanDerWaalsContact O-N 3.17Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.46Å; K69-Y71 HydrophobicContact CB-CE2 4.1Å; K69-Y71 HydrophobicContact CD-CE1 3.92Å; K69-Y71 HydrophobicContact CG-CD1 4.48Å; K69-Y71 HydrophobicContact CG-CE1 4.05Å; K69-Y71 HydrophobicContact CG-CE2 4.17Å; K69-Y71 WeakPolarHBondContact O-CD2 3.48Å; K69-Y71 WeakPolarHBondContact O-CE2 3.3Å; K69-Y71 PolarHBondContact O-N 3.08Å
70	K	72.8	Confident	72.9	Confident	196 Å²	196	114.8 Å²	114.8	85%	0.852	60%	0.597	S	S	*	*			trans	-61.9	100.1	168.9	-66	-175.8	178.7	-178.6	0	110.4	D68 Y72	D68-K70 PolarHBondContact O-N 3.33Å; K70-Y72 VanDerWaalsContact C-N 3.33Å
71	Y	77.4	Confident	74.6	Confident	134 Å²	134	115 Å²	115	53%	0.525	60%	0.596	S	S	.	*			trans	-75.3	-22.1	177.9	-67.2	-83.2	0	0	0	113.6	H66 K69	H66-Y71 PolarHBondContact CE1-OH 3.19Å; H66-Y71 PolarHBondContact ND1-OH 3Å; K69-Y71 HydrophobicContact CB-CE2 4.1Å; K69-Y71 HydrophobicContact CD-CE1 3.92Å; K69-Y71 HydrophobicContact CG-CD1 4.48Å; K69-Y71 HydrophobicContact CG-CE1 4.05Å; K69-Y71 HydrophobicContact CG-CE2 4.17Å; K69-Y71 WeakPolarHBondContact O-CD2 3.48Å; K69-Y71 WeakPolarHBondContact O-CE2 3.3Å; K69-Y71 PolarHBondContact O-N 3.08Å
72	Y	78.2	Confident	76	Confident	197 Å²	197	114.6 Å²	114.6	77%	0.773	59%	0.594	S	S	*	*	S	Bend	trans	-129.8	144.1	-177.5	-57.4	-73.7	0	0	0	109.6	K70	K70-Y72 VanDerWaalsContact C-N 3.33Å
73	P	78	Confident	76.2	Confident	81 Å²	81	114.3 Å²	114.3	53%	0.526	58%	0.584	S	S	.	*			trans	-60.8	155.8	166.4	28	-34	0	0	0	110.2	E77 V78	P73-E77 HydrophobicContact CB-CB 4.13Å; P73-V78 HydrophobicContact CB-CG2 4.33Å; P73-V78 HydrophobicContact CG-CG2 3.75Å
74	S	78.4	Confident	76.4	Confident	61 Å²	61	116.7 Å²	116.7	43%	0.427	59%	0.587	S	S	.	*			trans	-64	153.9	178.4	64.2	0	0	0	0	111.5	M76 E77 V78	S74-M76 PolarHBondContact O-N 3.32Å; S74-M76 VanDerWaalsContact O-N 3.17Å; S74-E77 WeakPolarHBondContact CB-OE2 3.48Å; S74-E77 PolarHBondContact N-OE2 3.43Å; S74-E77 WeakPolarHBondContact O-CB 3.28Å; S74-E77 PolarHBondContact O-N 3.19Å; S74-E77 VanDerWaalsContact OG-CD 3.26Å; S74-E77 VanDerWaalsContact OG-CG 3.28Å; S74-E77 WeakPolarHBondContact OG-CG 3.46Å; S74-E77 PolarHBondContact OG-N 3.22Å; S74-E77 PolarHBondContact OG-OE2 3.07Å; S74-V78 PolarHBondContact O-N 2.93Å; S74-V78 VanDerWaalsContact O-N 3.15Å
75	A	75.4	Confident	76.5	Confident	40 Å²	40	115 Å²	115	33%	0.331	58%	0.577	S	S	.	*	H	α-helix	trans	-56.5	-35.8	-179.9	0	0	0	0	0	112.2	V78 Y79 T85	A75-V78 PolarHBondContact O-N 3.06Å; A75-Y79 VanDerWaalsContact O-CD2 3.3Å; A75-Y79 WeakPolarHBondContact O-CD2 3.38Å; A75-Y79 PolarHBondContact O-N 3.29Å; A75-T85 HydrophobicContact CB-CG2 3.84Å
76	M	76.1	Confident	76.3	Confident	116 Å²	116	115 Å²	115	57%	0.571	58%	0.581	S	S	*	*	H	α-helix	trans	-66.8	-33.6	176	-163.9	177.5	-170.3	0	0	113.2	S74 V78 G80 P81	S74-M76 PolarHBondContact O-N 3.32Å; S74-M76 VanDerWaalsContact O-N 3.17Å; M76-V78 VanDerWaalsContact C-N 3.33Å; M76-G80 CarbonylContact O-C 3.58Å; M76-G80 VanDerWaalsContact O-CA 3.28Å; M76-G80 WeakPolarHBondContact O-CA 3.07Å; M76-G80 PolarHBondContact O-N 3.09Å; M76-P81 HydrophobicContact CE-CB 4.28Å
77	E	80.2	Confident	76.2	Confident	143 Å²	143	113 Å²	113	67%	0.668	58%	0.579	S	S	*	*	H	α-helix	trans	-72.7	-25.2	172.7	-73.1	163.9	135.4	0	0	112.7	P73 S74	P73-E77 HydrophobicContact CB-CB 4.13Å; S74-E77 WeakPolarHBondContact CB-OE2 3.48Å; S74-E77 PolarHBondContact N-OE2 3.43Å; S74-E77 WeakPolarHBondContact O-CB 3.28Å; S74-E77 PolarHBondContact O-N 3.19Å; S74-E77 VanDerWaalsContact OG-CD 3.26Å; S74-E77 VanDerWaalsContact OG-CG 3.28Å; S74-E77 WeakPolarHBondContact OG-CG 3.46Å; S74-E77 PolarHBondContact OG-N 3.22Å; S74-E77 PolarHBondContact OG-OE2 3.07Å
78	V	80.6	Confident	76.1	Confident	84 Å²	84	111.9 Å²	111.9	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-82.8	-43.1	179.2	176.3	0	0	0	0	112.2	P73 S74 A75 M76	P73-V78 HydrophobicContact CB-CG2 4.33Å; P73-V78 HydrophobicContact CG-CG2 3.75Å; S74-V78 PolarHBondContact O-N 2.93Å; S74-V78 VanDerWaalsContact O-N 3.15Å; A75-V78 PolarHBondContact O-N 3.06Å; M76-V78 VanDerWaalsContact C-N 3.33Å
79	Y	77.1	Confident	76.1	Confident	154 Å²	154	115.6 Å²	115.6	60%	0.604	59%	0.587	S	S	*	*	H	α-helix	trans	-100.3	-13.1	-174.7	-63.1	-69.8	0	0	0	114.2	A75 T85	A75-Y79 VanDerWaalsContact O-CD2 3.3Å; A75-Y79 WeakPolarHBondContact O-CD2 3.38Å; A75-Y79 PolarHBondContact O-N 3.29Å; Y79-T85 HydrophobicContact CD2-CG2 3.81Å; Y79-T85 HydrophobicContact CG-CG2 4.41Å
80	G	79.6	Confident	75.3	Confident	22 Å²	22	118.5 Å²	118.5	23%	0.227	60%	0.603	C	S	.	*			trans	84.2	170.2	-179.1	0	0	0	0	0	113.7	M76 D82 V83	M76-G80 CarbonylContact O-C 3.58Å; M76-G80 VanDerWaalsContact O-CA 3.28Å; M76-G80 WeakPolarHBondContact O-CA 3.07Å; M76-G80 PolarHBondContact O-N 3.09Å; G80-D82 PolarHBondContact O-N 2.78Å; G80-V83 PolarHBondContact O-N 2.72Å
81	P	78.9	Confident	74.8	Confident	104 Å²	104	115.5 Å²	115.5	68%	0.675	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-17	-176	30.2	-36.4	0	0	0	114	M76 V83	M76-P81 HydrophobicContact CE-CB 4.28Å; P81-V83 VanDerWaalsContact C-N 3.26Å; P81-V83 PolarHBondContact O-N 3.04Å
82	D	78	Confident	74.4	Confident	159 Å²	159	114.9 Å²	114.9	85%	0.85	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-6	-179.2	-56.3	-35.8	0	0	0	113.1	G80	G80-D82 PolarHBondContact O-N 2.78Å
83	V	66.8	Low	73.5	Confident	71 Å²	71	110.1 Å²	110.1	43%	0.43	59%	0.591	S	S	.	*	S	Bend	trans	-119.1	110.3	-177.9	-177.8	0	0	0	0	109.6	G80 P81 T85	G80-V83 PolarHBondContact O-N 2.72Å; P81-V83 VanDerWaalsContact C-N 3.26Å; P81-V83 PolarHBondContact O-N 3.04Å; V83-T85 PolarHBondContact O-N 3.04Å
84	E	74.8	Confident	72.9	Confident	174 Å²	174	110 Å²	110	81%	0.813	59%	0.591	S	S	*	*			trans	-69.5	102	174.5	-170.8	179.5	-175.4	0	0	110.3	V86	E84-V86 HydrophobicContact CG-CG2 3.95Å; E84-V86 PolarHBondContact O-N 3.44Å
85	T	70.7	Confident	72	Confident	54 Å²	54	115.1 Å²	115.1	33%	0.331	61%	0.612	S	S	.	*			trans	-80.5	84.3	178.5	57.5	0	0	0	0	110.8	A75 Y79 V83	A75-T85 HydrophobicContact CB-CG2 3.84Å; Y79-T85 HydrophobicContact CD2-CG2 3.81Å; Y79-T85 HydrophobicContact CG-CG2 4.41Å; V83-T85 PolarHBondContact O-N 3.04Å
86	V	75.8	Confident	71.3	Confident	94 Å²	94	119.1 Å²	119.1	57%	0.57	63%	0.633	S	S	*	*			trans	-76.1	120.4	174.4	-172.9	0	0	0	0	110.1	E84 Q88	E84-V86 HydrophobicContact CG-CG2 3.95Å; E84-V86 PolarHBondContact O-N 3.44Å; V86-Q88 HydrophobicContact CG1-CG 4.03Å
87	V	75	Confident	69.6	Low	110 Å²	110	119.6 Å²	119.6	67%	0.667	63%	0.634	S	S	*	*			trans	-105	112.8	170.7	-176.8	0	0	0	0	108.1	E89	V87-E89 HydrophobicContact CG1-CG 4.04Å
88	Q	73.4	Confident	67.6	Low	138 Å²	138	118 Å²	118	65%	0.645	64%	0.636	S	S	*	*			trans	-106.1	113.9	170.5	-68.5	-171.2	-18.2	0	0	108.7	V86	V86-Q88 HydrophobicContact CG1-CG 4.03Å
89	E	73.9	Confident	65.7	Low	184 Å²	184	121.2 Å²	121.2	86%	0.86	65%	0.648	S	S	*	*	S	Bend	trans	-91.5	-18.2	178.2	-58.6	-171.1	157.2	0	0	112.3	V87	V87-E89 HydrophobicContact CG1-CG 4.04Å
90	E	61	Low	63.9	Low	173 Å²	173	118.6 Å²	118.6	81%	0.808	65%	0.653	S	S	*	*	S	Bend	trans	-132.2	145.6	178.9	-60.4	-172.3	155.3	0	0	110.3
91	D	61.3	Low	61.5	Low	132 Å²	132	124.9 Å²	124.9	71%	0.706	68%	0.678	S	S	*	*			trans	-64.7	138.6	175.6	-73.4	-38.2	0	0	0	110.7	Q93	D91-Q93 PolarHBondContact O-N 3.44Å; D91-Q93 VanDerWaalsContact O-N 3.08Å
92	T	69.2	Low	59.2	Low	121 Å²	121	128.4 Å²	128.4	74%	0.742	69%	0.685	S	S	*	*	S	Bend	trans	-70.2	-3	179.3	56.3	0	0	0	0	114.5
93	Q	59.8	Low	57.8	Low	97 Å²	97	128.8 Å²	128.8	45%	0.453	68%	0.682	S	S	.	*	S	Bend	trans	-146.4	142	177.5	65.8	-175.4	21.5	0	0	110.5	D91	D91-Q93 PolarHBondContact O-N 3.44Å; D91-Q93 VanDerWaalsContact O-N 3.08Å
94	P	64.4	Low	57.2	Low	79 Å²	79	132.6 Å²	132.6	51%	0.513	70%	0.699	S	S	.	*			trans	-73.7	147.8	176.1	30.7	-34.4	0	0	0	111.8	T96 E97	P94-T96 PolarHBondContact O-N 2.93Å; P94-E97 PolarHBondContact O-N 3.32Å
95	L	59.5	Low	56.7	Low	168 Å²	168	128.4 Å²	128.4	88%	0.88	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-9.6	180	-105.8	87.2	0	0	0	115.8
96	T	60.3	Low	56.8	Low	124 Å²	124	127.6 Å²	127.6	76%	0.761	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-16	179.7	39.3	0	0	0	0	114.4	P94	P94-T96 PolarHBondContact O-N 2.93Å
97	E	42	Very low	57	Low	127 Å²	127	129.2 Å²	129.2	59%	0.593	68%	0.683	S	S	*	*	S	Bend	trans	-94.9	117.6	179.4	-66.5	-166.1	154.5	0	0	112	P94	P94-E97 PolarHBondContact O-N 3.32Å
98	P	38.6	Very low	57.5	Low	110 Å²	110	125.2 Å²	125.2	71%	0.714	66%	0.66	S	S	*	*			trans	-81.4	139.8	-178.5	32	-34.2	0	0	0	112.4	S100	P98-S100 PolarHBondContact O-N 2.98Å; P98-S100 VanDerWaalsContact O-N 3.07Å
99	I	40.7	Very low	58.2	Low	151 Å²	151	123.6 Å²	123.6	77%	0.774	66%	0.659	S	S	*	*			trans	-75.1	99.5	177.4	-54.7	173.5	0	0	0	109.9
100	S	37.3	Very low	58.8	Low	99 Å²	99	116 Å²	116	69%	0.692	62%	0.622	S	S	*	*			trans	47.6	107	162.8	-174.3	0	0	0	0	118.4	P98	P98-S100 PolarHBondContact O-N 2.98Å; P98-S100 VanDerWaalsContact O-N 3.07Å
101	M	30	Very low	60.1	Low	154 Å²	154	112 Å²	112	76%	0.759	61%	0.607	S	S	*	*			trans	-89.7	116	163.3	-77.7	-170	-77.8	0	0	111.8
102	E	30.4	Very low	61	Low	177 Å²	177	108 Å²	108	83%	0.827	58%	0.583	S	S	*	*			trans	-77.2	122	166.1	-69.2	-169	142.1	0	0	110.8
103	H	48	Very low	61.8	Low	167 Å²	167	108.7 Å²	108.7	77%	0.773	58%	0.578	S	S	*	*			trans	-88.6	108.3	176.6	-75	-66.4	0	0	0	111.9
104	N	55.1	Low	63.1	Low	151 Å²	151	108.8 Å²	108.8	81%	0.807	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-70.6	143.7	167.7	-79	-50.6	0	0	0	111.7
105	L	65	Low	64.1	Low	86 Å²	86	105 Å²	105	45%	0.45	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-67.5	137.2	174.5	-72.6	155.6	0	0	0	110.8	Q537	L105-Q537 HydrophobicContact CD2-CG 3.89Å
106	P	72.7	Confident	65.1	Low	38 Å²	38	98.1 Å²	98.1	25%	0.247	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-72.5	157.3	-179.9	30.5	-36.6	0	0	0	112.6	K112 S535	P106-K112 PolarHBondContact O-NZ 3.28Å; P106-S535 WeakPolarHBondContact CD-OG 3.35Å
107	D	80.5	Confident	66.3	Low	127 Å²	127	97.3 Å²	97.3	68%	0.679	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-79.1	134.2	174.6	-71.5	-36.9	0	0	0	112
108	T	85.7	Confident	68.3	Low	27 Å²	27	91.6 Å²	91.6	17%	0.166	48%	0.482	C	S	.	.			trans	-118.2	152.7	-176.9	44.8	0	0	0	0	111.2	Y110 T149 H150	T108-Y110 HydrophobicContact CG2-CE2 4.01Å; T108-Y110 PolarHBondContact O-N 2.66Å; T108-Y110 PolarHBondContact OG1-O 3.05Å; T108-T149 WeakPolarHBondContact CA-O 3.4Å; T108-H150 WeakPolarHBondContact CG2-NE2 3.49Å
109	V	87.6	Confident	70.3	Confident	103 Å²	103	87.2 Å²	87.2	62%	0.624	45%	0.452	S	S	*	.	S	Bend	trans	-62	-28.4	174.8	175.6	0	0	0	0	112.2	T149 P151	V109-T149 PolarHBondContact N-O 3Å; V109-P151 HydrophobicContact CG2-CG 3.66Å
110	Y	86.9	Confident	72.2	Confident	24 Å²	24	82.5 Å²	82.5	9%	0.094	43%	0.428	C	S	.	.	S	Bend	trans	-105.1	154.9	177.6	52	-99.2	0	0	0	111.9	T108 M115 T149 V185	T108-Y110 HydrophobicContact CG2-CE2 4.01Å; T108-Y110 PolarHBondContact O-N 2.66Å; T108-Y110 PolarHBondContact OG1-O 3.05Å; Y110-M115 HydrophobicContact CE2-CE 3.49Å; Y110-M115 VanDerWaalsContact CE2-CE 3.49Å; Y110-M115 WeakPolarHBondContact OH-CE 3.48Å; Y110-T149 HydrophobicContact CE1-CG2 4.08Å; Y110-V185 HydrophobicContact CD1-CB 3.61Å; Y110-V185 HydrophobicContact CD1-CG1 4.3Å; Y110-V185 HydrophobicContact CD1-CG2 4.45Å; Y110-V185 HydrophobicContact CD2-CB 4.19Å; Y110-V185 HydrophobicContact CD2-CG2 4.16Å; Y110-V185 HydrophobicContact CE1-CB 3.84Å; Y110-V185 HydrophobicContact CE2-CB 4.44Å; Y110-V185 HydrophobicContact CE2-CG2 4.34Å; Y110-V185 HydrophobicContact CG-CB 3.78Å; Y110-V185 HydrophobicContact CG-CG1 4.36Å; Y110-V185 HydrophobicContact CG-CG2 4.23Å
111	N	87.1	Confident	74.4	Confident	90 Å²	90	80.8 Å²	80.8	48%	0.481	42%	0.415	S	S	.	.			trans	-73.1	139.9	170.2	-175.6	-4.6	0	0	0	110.4	E113 Y114 M115	N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact ND2-OE2 3.44Å; N111-E113 PolarHBondContact O-N 3.02Å; N111-E113 PolarHBondContact OD1-N 2.82Å; N111-Y114 WeakPolarHBondContact O-CB 3.35Å; N111-Y114 PolarHBondContact O-N 3.15Å; N111-Y114 VanDerWaalsContact O-N 3.11Å; N111-M115 PolarHBondContact O-N 2.83Å; N111-M115 VanDerWaalsContact O-N 3.12Å
112	K	81.3	Confident	76.9	Confident	48 Å²	48	74.5 Å²	74.5	21%	0.209	39%	0.386	C	S	.	.	H	α-helix	trans	-67.5	-27.4	177.3	-63.1	174.2	175.1	147	0	112.5	P106 M115 A116	P106-K112 PolarHBondContact O-NZ 3.28Å; K112-M115 WeakPolarHBondContact O-CB 3.35Å; K112-M115 PolarHBondContact O-N 3.4Å; K112-A116 PolarHBondContact O-N 2.92Å; K112-A116 VanDerWaalsContact O-N 3.08Å
113	E	84.8	Confident	79.6	Confident	135 Å²	135	68.8 Å²	68.8	63%	0.631	37%	0.369	S	S	*	.	H	α-helix	trans	-65.6	-41.4	168.3	-63	174.5	142.9	0	0	111.4	N111 M115 A116 D117	N111-E113 VanDerWaalsContact C-N 3.29Å; N111-E113 PolarHBondContact ND2-OE2 3.44Å; N111-E113 PolarHBondContact O-N 3.02Å; N111-E113 PolarHBondContact OD1-N 2.82Å; E113-M115 VanDerWaalsContact C-N 3.33Å; E113-M115 PolarHBondContact O-N 3.2Å; E113-A116 VanDerWaalsContact O-CA 3.28Å; E113-A116 WeakPolarHBondContact O-CA 3.47Å; E113-A116 WeakPolarHBondContact O-CB 3.27Å; E113-A116 PolarHBondContact O-N 3.18Å; E113-D117 PolarHBondContact O-N 2.96Å
114	Y	87.9	Confident	81.6	Confident	100 Å²	100	62.9 Å²	62.9	39%	0.392	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-35.5	176.4	-178.9	-107.5	0	0	0	112.3	N111 A116 D117 M118 V185 S193	N111-Y114 WeakPolarHBondContact O-CB 3.35Å; N111-Y114 PolarHBondContact O-N 3.15Å; N111-Y114 VanDerWaalsContact O-N 3.11Å; Y114-A116 PolarHBondContact O-N 3.05Å; Y114-D117 PolarHBondContact O-N 3.42Å; Y114-M118 HydrophobicContact CE1-CE 4.08Å; Y114-M118 HydrophobicContact CE1-CG 4.27Å; Y114-M118 HydrophobicContact CE1-SD 4.13Å; Y114-M118 HydrophobicContact CE2-CG 4.46Å; Y114-M118 WeakPolarHBondContact O-CG 3.38Å; Y114-M118 PolarHBondContact O-N 3.07Å; Y114-V185 HydrophobicContact CD1-CG1 4.35Å; Y114-V185 HydrophobicContact CE1-CG1 4.07Å; Y114-S193 WeakPolarHBondContact OH-CB 3.49Å; Y114-S193 PolarHBondContact OH-OG 2.8Å
115	M	84.5	Confident	83.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-35.1	167	179.9	-172.9	-86.8	0	0	111.4	Y110 N111 K112 E113 M119 T183 V185 L195 E532	Y110-M115 HydrophobicContact CE2-CE 3.49Å; Y110-M115 VanDerWaalsContact CE2-CE 3.49Å; Y110-M115 WeakPolarHBondContact OH-CE 3.48Å; N111-M115 PolarHBondContact O-N 2.83Å; N111-M115 VanDerWaalsContact O-N 3.12Å; K112-M115 WeakPolarHBondContact O-CB 3.35Å; K112-M115 PolarHBondContact O-N 3.4Å; E113-M115 VanDerWaalsContact C-N 3.33Å; E113-M115 PolarHBondContact O-N 3.2Å; M115-M119 HydrophobicContact CG-CE 3.66Å; M115-M119 WeakPolarHBondContact O-CG 3.4Å; M115-M119 PolarHBondContact O-N 2.68Å; M115-M119 HydrophobicContact SD-CE 3.8Å; M115-T183 HydrophobicContact CE-CG2 4Å; M115-T183 VanDerWaalsContact CE-O 3.27Å; M115-T183 WeakPolarHBondContact CE-O 3.42Å; M115-T183 HydrophobicContact SD-CG2 4.1Å; M115-V185 HydrophobicContact CB-CG2 3.95Å; M115-V185 HydrophobicContact CE-CG2 4.28Å; M115-V185 HydrophobicContact CG-CG2 4.15Å; M115-L195 HydrophobicContact CG-CD1 3.71Å; M115-E532 WeakPolarHBondContact CE-OE1 3.38Å
116	A	80.2	Confident	84.6	Confident	23 Å²	23	52.7 Å²	52.7	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-49.1	176.5	0	0	0	0	0	113.3	K112 E113 Y114 M118 M119 D120 R539	K112-A116 PolarHBondContact O-N 2.92Å; K112-A116 VanDerWaalsContact O-N 3.08Å; E113-A116 VanDerWaalsContact O-CA 3.28Å; E113-A116 WeakPolarHBondContact O-CA 3.47Å; E113-A116 WeakPolarHBondContact O-CB 3.27Å; E113-A116 PolarHBondContact O-N 3.18Å; Y114-A116 PolarHBondContact O-N 3.05Å; A116-M118 PolarHBondContact O-N 2.67Å; A116-M119 WeakPolarHBondContact O-CB 3.06Å; A116-M119 PolarHBondContact O-N 3.42Å; A116-D120 PolarHBondContact O-N 2.86Å; A116-R539 VanDerWaalsContact CA-NH1 3.26Å
117	D	86	Confident	85.6	Confident	107 Å²	107	50.9 Å²	50.9	57%	0.572	28%	0.275	S	S	*	.	H	α-helix	trans	-64	-32.2	-179.2	-61.1	-27.6	0	0	0	111.7	E113 Y114 D120 C121	E113-D117 PolarHBondContact O-N 2.96Å; Y114-D117 PolarHBondContact O-N 3.42Å; D117-D120 PolarHBondContact O-N 3.4Å; D117-C121 PolarHBondContact O-N 3.04Å
118	M	84.8	Confident	86.2	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-71.7	-24.5	173.4	-70.4	-136.8	-61.9	0	0	114.2	Y114 A116 C121 L124 V185 Y194 L195	Y114-M118 HydrophobicContact CE1-CE 4.08Å; Y114-M118 HydrophobicContact CE1-CG 4.27Å; Y114-M118 HydrophobicContact CE1-SD 4.13Å; Y114-M118 HydrophobicContact CE2-CG 4.46Å; Y114-M118 WeakPolarHBondContact O-CG 3.38Å; Y114-M118 PolarHBondContact O-N 3.07Å; A116-M118 PolarHBondContact O-N 2.67Å; M118-C121 PolarHBondContact O-N 3.33Å; M118-L124 HydrophobicContact SD-CD1 4.37Å; M118-V185 HydrophobicContact CE-CB 4.03Å; M118-V185 HydrophobicContact CE-CG1 3.48Å; M118-V185 VanDerWaalsContact CE-CG1 3.48Å; M118-V185 HydrophobicContact CE-CG2 3.57Å; M118-Y194 VanDerWaalsContact CE-C 3.49Å; M118-L195 HydrophobicContact CB-CB 4.35Å; M118-L195 HydrophobicContact CE-CB 4.23Å
119	M	79.6	Confident	86.7	Confident	19 Å²	19	43.6 Å²	43.6	9%	0.094	24%	0.235	C	C	.	.	H	α-helix	trans	-71.3	-30.7	171.5	-72.2	170	-176	0	0	112.5	M115 A116 C121 T183 L195 V530 R539	M115-M119 HydrophobicContact CG-CE 3.66Å; M115-M119 WeakPolarHBondContact O-CG 3.4Å; M115-M119 PolarHBondContact O-N 2.68Å; M115-M119 HydrophobicContact SD-CE 3.8Å; A116-M119 WeakPolarHBondContact O-CB 3.06Å; A116-M119 PolarHBondContact O-N 3.42Å; M119-C121 PolarHBondContact O-N 2.8Å; M119-T183 HydrophobicContact CE-CG2 3.73Å; M119-L195 HydrophobicContact CB-CD2 4.37Å; M119-L195 HydrophobicContact CE-CD1 4.39Å; M119-L195 HydrophobicContact CE-CD2 4.2Å; M119-L195 HydrophobicContact CG-CD2 3.42Å; M119-L195 VanDerWaalsContact CG-CD2 3.42Å; M119-V530 HydrophobicContact CE-CB 4.18Å; M119-V530 HydrophobicContact CE-CG1 3.54Å; M119-V530 HydrophobicContact CE-CG2 3.59Å; M119-V530 HydrophobicContact SD-CG2 3.85Å; M119-R539 PolarHBondContact SD-NH1 2.84Å; M119-R539 VanDerWaalsContact SD-NH1 3.35Å
120	D	80.1	Confident	87.1	Confident	51 Å²	51	38.7 Å²	38.7	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-72.5	-17.2	172.9	-80.8	24.4	0	0	0	111.3	A116 D117 T122 K541 R543	A116-D120 PolarHBondContact O-N 2.86Å; D117-D120 PolarHBondContact O-N 3.4Å; D120-T122 PolarHBondContact O-N 3.08Å; D120-K541 IonicContact OD1-NZ 2.74Å; D120-K541 IonicContact OD2-NZ 2.67Å; D120-K541 PolarHBondContact OD2-NZ 2.89Å; D120-R543 IonicContact OD2-CZ 2.86Å; D120-R543 IonicContact OD2-NE 3.83Å; D120-R543 IonicContact OD2-NH1 3.87Å; D120-R543 PolarHBondContact OD2-NH1 3.22Å
121	C	84.7	Confident	87.6	Confident	63 Å²	63	37.5 Å²	37.5	43%	0.426	20%	0.201	S	C	.	.			trans	-98.7	72.7	-179.9	-70.8	0	0	0	0	113	D117 M118 M119 A123 L124	D117-C121 PolarHBondContact O-N 3.04Å; M118-C121 PolarHBondContact O-N 3.33Å; M119-C121 PolarHBondContact O-N 2.8Å; C121-A123 PolarHBondContact O-N 3.07Å; C121-L124 HydrophobicContact CB-CB 4.48Å; C121-L124 HydrophobicContact CB-CD1 4.14Å; C121-L124 HydrophobicContact CB-CG 4.37Å; C121-L124 PolarHBondContact O-N 2.94Å
122	T	81.8	Confident	88	Confident	22 Å²	22	33.2 Å²	33.2	14%	0.135	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-47.8	-32.9	-174.1	63.9	0	0	0	0	116	D120 L124 I125 V440 P468 A544	D120-T122 PolarHBondContact O-N 3.08Å; T122-L124 VanDerWaalsContact C-N 3.3Å; T122-L124 PolarHBondContact O-N 3.36Å; T122-I125 PolarHBondContact O-N 3.49Å; T122-V440 WeakPolarHBondContact OG1-CG2 3.23Å; T122-P468 HydrophobicContact CG2-CG 4.39Å; T122-A544 WeakPolarHBondContact CG2-O 3.48Å
123	A	86.8	Confident	88.6	Confident	58 Å²	58	31.4 Å²	31.4	48%	0.479	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-68	-23.5	177.4	0	0	0	0	0	114.7	C121 R126	C121-A123 PolarHBondContact O-N 3.07Å; A123-R126 PolarHBondContact O-NH1 3.2Å
124	L	90.8	Very high	89	Confident	42 Å²	42	25.5 Å²	25.5	22%	0.22	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-92.2	-4.6	178.2	-60.2	-178.9	0	0	0	113.2	M118 C121 T122 Y194 L195	M118-L124 HydrophobicContact SD-CD1 4.37Å; C121-L124 HydrophobicContact CB-CB 4.48Å; C121-L124 HydrophobicContact CB-CD1 4.14Å; C121-L124 HydrophobicContact CB-CG 4.37Å; C121-L124 PolarHBondContact O-N 2.94Å; T122-L124 VanDerWaalsContact C-N 3.3Å; T122-L124 PolarHBondContact O-N 3.36Å; L124-Y194 HydrophobicContact CD2-CD1 4.34Å; L124-Y194 HydrophobicContact CD2-CE1 4.04Å; L124-Y194 WeakPolarHBondContact O-CD1 3.36Å; L124-L195 PolarHBondContact O-N 2.76Å
125	I	90.1	Very high	89.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	143.9	175.2	-52.8	-177.7	0	0	0	109.9	T122 L195 N197 P439	T122-I125 PolarHBondContact O-N 3.49Å; I125-L195 CarbonylContact C-O 3.53Å; I125-L195 WeakPolarHBondContact CA-O 3.42Å; I125-L195 HydrophobicContact CD1-CD2 4.24Å; I125-L195 HydrophobicContact CG1-CB 4.34Å; I125-L195 HydrophobicContact CG1-CD2 4Å; I125-L195 HydrophobicContact CG2-CD2 4.41Å; I125-N197 WeakPolarHBondContact CG2-ND2 3.46Å; I125-P439 HydrophobicContact CB-CG 4.16Å; I125-P439 HydrophobicContact CG2-CG 4.23Å; I125-P439 VanDerWaalsContact O-CD 3.31Å; I125-P439 WeakPolarHBondContact O-CD 3.31Å
126	R	93.3	Very high	89.7	Confident	24 Å²	24	25.4 Å²	25.4	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.4	166.4	-69.1	-64.2	-177.1	-73.7	-0.3	110.2	A123 V128 L195 M196 N197 V432 T433 V436	A123-R126 PolarHBondContact O-NH1 3.2Å; R126-V128 HydrophobicContact CB-CG2 4.33Å; R126-L195 PolarHBondContact N-O 2.96Å; R126-M196 HydrophobicContact CB-CE 4.42Å; R126-M196 HydrophobicContact CB-SD 3.73Å; R126-M196 HydrophobicContact CG-CE 4.43Å; R126-M196 HydrophobicContact CG-SD 4.37Å; R126-N197 PolarHBondContact O-N 2.98Å; R126-V432 HydrophobicContact CB-CG1 3.83Å; R126-V432 HydrophobicContact CG-CG1 3.92Å; R126-T433 HydrophobicContact CG-CG2 4.5Å; R126-T433 PolarHBondContact NH2-O 2.94Å; R126-V436 WeakPolarHBondContact CD-O 3.12Å; R126-V436 PolarHBondContact NE-O 3.08Å
127	N	92.3	Very high	90.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	106.4	177.3	-60.2	-52	0	0	0	109.1	N197 D219 G220 R493 K547	N127-N197 VanDerWaalsContact OD1-CB 3.23Å; N127-N197 WeakPolarHBondContact OD1-CB 3.32Å; N127-N197 PolarHBondContact OD1-ND2 3.01Å; N127-D219 WeakPolarHBondContact CB-OD2 3.3Å; N127-D219 PolarHBondContact ND2-OD2 2.85Å; N127-D219 PolarHBondContact O-N 3.15Å; N127-G220 PolarHBondContact O-N 2.77Å; N127-G220 VanDerWaalsContact O-N 3.16Å; N127-R493 PolarHBondContact ND2-NH1 3.48Å; N127-K547 VanDerWaalsContact OD1-CE 3.26Å; N127-K547 WeakPolarHBondContact OD1-CE 3.23Å
128	V	94.9	Very high	90.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.3	-172.4	-174.2	0	0	0	0	110.7	R126 L130 N197 I198 F199 G220 M222 V432 V436	R126-V128 HydrophobicContact CB-CG2 4.33Å; V128-L130 HydrophobicContact CG1-CD2 4.21Å; V128-N197 PolarHBondContact N-O 3.41Å; V128-I198 CarbonylContact O-C 3.6Å; V128-I198 VanDerWaalsContact O-CA 3.31Å; V128-I198 WeakPolarHBondContact O-CA 3.39Å; V128-F199 PolarHBondContact O-N 3.22Å; V128-G220 WeakPolarHBondContact CA-O 3.27Å; V128-M222 HydrophobicContact CG1-CB 4.45Å; V128-V432 HydrophobicContact CG1-CG2 4.47Å; V128-V432 HydrophobicContact CG2-CB 4.49Å; V128-V432 HydrophobicContact CG2-CG1 3.5Å; V128-V432 HydrophobicContact CG2-CG2 4.11Å; V128-V436 HydrophobicContact CG2-CG1 4.43Å; V128-V436 HydrophobicContact CG2-CG2 4.47Å
129	A	95.6	Very high	91	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.1	164.5	0	0	0	0	0	110.3	T201 F215 C218 G220 V221 M222	A129-T201 HydrophobicContact CB-CG2 4.31Å; A129-F215 HydrophobicContact CB-CD1 3.87Å; A129-F215 HydrophobicContact CB-CE1 3.93Å; A129-C218 HydrophobicContact CB-CB 4.37Å; A129-G220 PolarHBondContact N-O 3.03Å; A129-V221 HydrophobicContact CB-CG2 4.4Å; A129-V221 CarbonylContact O-C 3.6Å; A129-V221 VanDerWaalsContact O-CA 3.31Å; A129-V221 WeakPolarHBondContact O-CA 3.22Å; A129-V221 WeakPolarHBondContact O-CG2 3.5Å; A129-M222 PolarHBondContact O-N 3.47Å
130	L	96.5	Very high	91.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	112.5	166.5	-48.9	-173.5	0	0	0	107.2	V128 F141 V142 I198 F199 T201 M222 F224 F428	V128-L130 HydrophobicContact CG1-CD2 4.21Å; L130-F141 HydrophobicContact CD1-CD1 4.24Å; L130-V142 HydrophobicContact CD1-CG2 3.47Å; L130-V142 VanDerWaalsContact CD1-CG2 3.47Å; L130-I198 HydrophobicContact CD1-CG2 3.7Å; L130-I198 HydrophobicContact CD2-CG2 4.09Å; L130-I198 HydrophobicContact CG-CG2 3.61Å; L130-F199 PolarHBondContact N-O 3.18Å; L130-T201 WeakPolarHBondContact O-CB 3.39Å; L130-T201 PolarHBondContact O-N 3.48Å; L130-T201 PolarHBondContact O-OG1 3.05Å; L130-M222 HydrophobicContact CD2-CB 4.04Å; L130-F224 HydrophobicContact CB-CD2 4.32Å; L130-F224 HydrophobicContact CB-CE2 3.8Å; L130-F224 HydrophobicContact CD1-CE2 4.29Å; L130-F224 HydrophobicContact CD1-CZ 4.38Å; L130-F224 HydrophobicContact CD2-CE2 3.95Å; L130-F224 HydrophobicContact CD2-CZ 4.47Å; L130-F224 HydrophobicContact CG-CE2 4.2Å; L130-F428 HydrophobicContact CD2-CE2 3.92Å; L130-F428 HydrophobicContact CD2-CZ 4.21Å
131	A	96.4	Very high	92.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.2	-176.6	0	0	0	0	0	110.6	K138 T201 V211 F215 V221 M222 I223 F224 L238	A131-K138 VanDerWaalsContact C-CD 3.44Å; A131-T201 WeakPolarHBondContact CA-OG1 3.2Å; A131-V211 HydrophobicContact CB-CG1 4.01Å; A131-F215 HydrophobicContact CB-CE1 3.74Å; A131-F215 HydrophobicContact CB-CZ 3.92Å; A131-V221 HydrophobicContact CB-CG2 3.82Å; A131-M222 PolarHBondContact N-O 2.8Å; A131-M222 VanDerWaalsContact O-O 3.12Å; A131-I223 HydrophobicContact CB-CD1 4.46Å; A131-I223 CarbonylContact O-C 3.57Å; A131-I223 VanDerWaalsContact O-CA 3.29Å; A131-I223 WeakPolarHBondContact O-CA 3.5Å; A131-F224 PolarHBondContact O-N 3.24Å; A131-L238 HydrophobicContact CB-CD1 4.06Å; A131-L238 HydrophobicContact CB-CD2 4.3Å
132	G	94.8	Very high	92.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	172.7	-176.4	0	0	0	0	0	110.6	K138 G203 L238	G132-K138 PolarHBondContact O-NZ 3.48Å; G132-G203 WeakPolarHBondContact O-CA 3.39Å; G132-L238 VanDerWaalsContact CA-CD1 3.48Å
133	H	95	Very high	93.1	Very high	10 Å²	10	14.3 Å²	14.3	5%	0.046	8%	0.083	C	C	.	.	S	Bend	trans	-58	168	-175.4	-162.1	-99	0	0	0	114.8	H135 H136 K138 G203 M232 N234 L916	H133-H135 PolarHBondContact O-N 3.36Å; H133-H136 WeakPolarHBondContact CB-CE1 3.18Å; H133-H136 WeakPolarHBondContact CB-ND1 3.5Å; H133-H136 AromaticContact CG-NE2 3.98Å; H133-H136 AromaticContact ND1-NE2 3.95Å; H133-H136 PolarHBondContact O-N 2.95Å; H133-K138 PolarHBondContact O-NZ 3.03Å; H133-K138 VanDerWaalsContact O-NZ 3.08Å; H133-G203 CarbonylContact C-O 3.54Å; H133-M232 HydrophobicContact CB-CB 4.47Å; H133-M232 WeakPolarHBondContact CD2-CB 3.42Å; H133-N234 HydrophobicContact CB-CB 4.42Å; H133-L916 WeakPolarHBondContact CE1-CD1 3.39Å; H133-L916 WeakPolarHBondContact NE2-CD1 3.33Å
134	L	93.4	Very high	93.3	Very high	10 Å²	10	11.7 Å²	11.7	5%	0.052	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	136	173	-174.1	66.7	0	0	0	109.8	H136 V175 G203 H204 F914 L916	L134-H136 PolarHBondContact O-CD2 3.13Å; L134-H136 PolarHBondContact O-N 2.88Å; L134-V175 HydrophobicContact CD1-CG1 3.95Å; L134-V175 HydrophobicContact CD1-CG2 4.29Å; L134-G203 PolarHBondContact N-O 2.93Å; L134-H204 HydrophobicContact CD1-CB 4.17Å; L134-F914 HydrophobicContact CD2-CE1 3.62Å; L134-F914 HydrophobicContact CD2-CE2 4.44Å; L134-F914 HydrophobicContact CD2-CZ 3.39Å; L134-L916 HydrophobicContact CB-CD1 4.41Å; L134-L916 HydrophobicContact CD2-CD2 4.38Å
135	H	92.3	Very high	93.3	Very high	99 Å²	99	9.7 Å²	9.7	46%	0.458	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	15.7	-179.9	-53.5	-40.3	0	0	0	117.4	H133 G137 G174 K255	H133-H135 PolarHBondContact O-N 3.36Å; H135-G137 PolarHBondContact O-N 2.91Å; H135-G174 PolarHBondContact CE1-O 3.34Å; H135-G174 VanDerWaalsContact CE1-O 3.28Å; H135-K255 WeakPolarHBondContact O-CE 3.45Å; H135-K255 PolarHBondContact O-NZ 3.44Å
136	H	94.8	Very high	93.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-67.4	13	169.7	-78.2	-161.1	0	0	0	114.4	H133 L134 F224 V225 D226 E229 N254	H133-H136 WeakPolarHBondContact CB-CE1 3.18Å; H133-H136 WeakPolarHBondContact CB-ND1 3.5Å; H133-H136 AromaticContact CG-NE2 3.98Å; H133-H136 AromaticContact ND1-NE2 3.95Å; H133-H136 PolarHBondContact O-N 2.95Å; L134-H136 PolarHBondContact O-CD2 3.13Å; L134-H136 PolarHBondContact O-N 2.88Å; H136-F224 HydrophobicContact CB-CB 4.2Å; H136-F224 PolarHBondContact ND1-O 3.28Å; H136-V225 WeakPolarHBondContact ND1-CA 3.5Å; H136-D226 VanDerWaalsContact CD2-CB 3.49Å; H136-D226 WeakPolarHBondContact CD2-CB 3.36Å; H136-D226 PolarHBondContact CE1-N 3.01Å; H136-D226 PolarHBondContact ND1-N 3.12Å; H136-E229 IonicContact CD2-OE2 2.75Å; H136-E229 IonicContact NE2-OE2 2.62Å; H136-N254 PolarHBondContact O-ND2 3.39Å
137	G	91.3	Very high	93.1	Very high	13 Å²	13	9.3 Å²	9.3	13%	0.134	5%	0.05	C	C	.	.	S	Bend	trans	79.7	27.4	167.7	0	0	0	0	0	116.3	H135 F141 N254	H135-G137 PolarHBondContact O-N 2.91Å; G137-F141 WeakPolarHBondContact O-CB 3.39Å; G137-F141 PolarHBondContact O-N 3.47Å; G137-N254 WeakPolarHBondContact CA-ND2 3.05Å; G137-N254 PolarHBondContact O-ND2 2.88Å
138	K	93.5	Very high	93	Very high	9 Å²	9	10.6 Å²	10.6	4%	0.039	6%	0.056	C	C	.	.	H	α-helix	trans	-63.4	-59.1	179.5	-55.9	-172.2	-61.6	-74.9	0	112.6	A131 G132 H133 C140 F141 V142 D200 T201 F224	A131-K138 VanDerWaalsContact C-CD 3.44Å; G132-K138 PolarHBondContact O-NZ 3.48Å; H133-K138 PolarHBondContact O-NZ 3.03Å; H133-K138 VanDerWaalsContact O-NZ 3.08Å; K138-C140 VanDerWaalsContact C-N 3.3Å; K138-C140 PolarHBondContact O-N 2.89Å; K138-F141 CarbonylContact O-C 3.51Å; K138-F141 WeakPolarHBondContact O-CA 3.35Å; K138-F141 WeakPolarHBondContact O-CB 3.3Å; K138-F141 PolarHBondContact O-N 3.49Å; K138-V142 PolarHBondContact O-N 2.9Å; K138-D200 WeakPolarHBondContact CB-OD1 3.24Å; K138-T201 WeakPolarHBondContact CE-O 3.49Å; K138-F224 HydrophobicContact CD-CB 4.43Å; K138-F224 HydrophobicContact CD-CD2 4.43Å; K138-F224 HydrophobicContact CG-CB 3.91Å; K138-F224 HydrophobicContact CG-CD1 4.41Å; K138-F224 HydrophobicContact CG-CD2 4.01Å; K138-F224 HydrophobicContact CG-CG 3.84Å
139	T	92.5	Very high	92.7	Very high	16 Å²	16	10.8 Å²	10.8	10%	0.098	6%	0.058	C	C	.	.	H	α-helix	trans	-54.9	-42.8	174.3	-43.2	0	0	0	0	112.2	F141 V142 D143 R162 T164 S176 D200	T139-F141 VanDerWaalsContact C-N 3.29Å; T139-F141 PolarHBondContact O-N 3.01Å; T139-V142 PolarHBondContact O-N 3.47Å; T139-V142 VanDerWaalsContact O-N 3.14Å; T139-D143 PolarHBondContact O-N 2.91Å; T139-R162 HydrophobicContact CG2-CB 3.82Å; T139-R162 HydrophobicContact CG2-CG 4.17Å; T139-T164 VanDerWaalsContact CG2-OG1 3.22Å; T139-T164 WeakPolarHBondContact CG2-OG1 3.27Å; T139-S176 PolarHBondContact OG1-OG 3.23Å; T139-D200 WeakPolarHBondContact CA-OD2 3.4Å; T139-D200 VanDerWaalsContact CB-OD2 3.3Å; T139-D200 WeakPolarHBondContact CB-OD2 3.32Å; T139-D200 PolarHBondContact N-OD1 2.58Å; T139-D200 PolarHBondContact OG1-OD2 3.08Å
140	C	91.6	Very high	92.4	Very high	18 Å²	18	11.1 Å²	11.1	12%	0.122	6%	0.059	C	C	.	.	H	α-helix	trans	-64.9	-31.2	175	-172.3	0	0	0	0	112.6	K138 C144	K138-C140 VanDerWaalsContact C-N 3.3Å; K138-C140 PolarHBondContact O-N 2.89Å; C140-C144 PolarHBondContact O-N 3.38Å; C140-C144 PolarHBondContact O-SG 2.99Å
141	F	94.1	Very high	91.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-70.2	-41	171.3	-171.4	-89.6	0	0	0	111.3	L130 G137 K138 T139 D143 C144 L145 F224 A308 C315 F425 F428	L130-F141 HydrophobicContact CD1-CD1 4.24Å; G137-F141 WeakPolarHBondContact O-CB 3.39Å; G137-F141 PolarHBondContact O-N 3.47Å; K138-F141 CarbonylContact O-C 3.51Å; K138-F141 WeakPolarHBondContact O-CA 3.35Å; K138-F141 WeakPolarHBondContact O-CB 3.3Å; K138-F141 PolarHBondContact O-N 3.49Å; T139-F141 VanDerWaalsContact C-N 3.29Å; T139-F141 PolarHBondContact O-N 3.01Å; F141-D143 VanDerWaalsContact C-N 3.35Å; F141-D143 PolarHBondContact O-N 3.45Å; F141-C144 VanDerWaalsContact O-CB 3.27Å; F141-C144 WeakPolarHBondContact O-CB 3.36Å; F141-C144 PolarHBondContact O-N 3.1Å; F141-C144 VanDerWaalsContact O-N 3.13Å; F141-L145 HydrophobicContact CD1-CD1 4.23Å; F141-L145 HydrophobicContact CD1-CG 4.38Å; F141-L145 HydrophobicContact CE1-CD1 4.13Å; F141-L145 HydrophobicContact CE1-CD2 4.2Å; F141-L145 HydrophobicContact CE1-CG 4.34Å; F141-L145 WeakPolarHBondContact O-CG 3.3Å; F141-L145 PolarHBondContact O-N 3.36Å; F141-F224 HydrophobicContact CB-CE1 3.77Å; F141-F224 HydrophobicContact CB-CZ 4.07Å; F141-F224 HydrophobicContact CD1-CE1 4.16Å; F141-F224 AromaticContact CD1-CZ 3.72Å; F141-F224 HydrophobicContact CD1-CZ 3.72Å; F141-F224 AromaticContact CD2-CE1 3.81Å; F141-F224 HydrophobicContact CD2-CE1 3.81Å; F141-F224 HydrophobicContact CD2-CZ 4.15Å; F141-F224 HydrophobicContact CE1-CZ 4.13Å; F141-F224 HydrophobicContact CE2-CE1 4.41Å; F141-F224 AromaticContact CG-CE1 3.66Å; F141-F224 HydrophobicContact CG-CE1 3.66Å; F141-F224 AromaticContact CG-CZ 3.72Å; F141-F224 HydrophobicContact CG-CZ 3.72Å; F141-A308 HydrophobicContact CD2-CB 4.22Å; F141-A308 HydrophobicContact CE2-CB 3.97Å; F141-C315 HydrophobicContact CE2-CB 4.23Å; F141-F425 HydrophobicContact CD2-CD2 4.39Å; F141-F425 AromaticContact CD2-CE2 3.84Å; F141-F425 HydrophobicContact CD2-CE2 3.84Å; F141-F425 HydrophobicContact CE1-CD2 4.27Å; F141-F425 AromaticContact CE2-CD2 3.76Å; F141-F425 HydrophobicContact CE2-CD2 3.76Å; F141-F425 AromaticContact CE2-CE2 3.56Å; F141-F425 HydrophobicContact CE2-CE2 3.56Å; F141-F425 HydrophobicContact CG-CE2 4.47Å; F141-F425 AromaticContact CZ-CD2 3.69Å; F141-F425 HydrophobicContact CZ-CD2 3.69Å; F141-F425 AromaticContact CZ-CE2 3.98Å; F141-F425 HydrophobicContact CZ-CE2 3.98Å; F141-F428 HydrophobicContact CE1-CB 4.48Å; F141-F428 AromaticContact CE1-CD2 3.77Å; F141-F428 HydrophobicContact CE1-CD2 3.77Å; F141-F428 HydrophobicContact CE1-CE2 4.17Å; F141-F428 HydrophobicContact CE1-CG 4.08Å; F141-F428 HydrophobicContact CZ-CB 4.06Å; F141-F428 AromaticContact CZ-CD2 3.95Å; F141-F428 HydrophobicContact CZ-CD2 3.95Å; F141-F428 HydrophobicContact CZ-CG 4.14Å
142	V	92.8	Very high	91.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-40.8	173.3	-177.3	0	0	0	0	111.5	L130 K138 T139 C144 L145 I146 T164 V182 D200	L130-V142 HydrophobicContact CD1-CG2 3.47Å; L130-V142 VanDerWaalsContact CD1-CG2 3.47Å; K138-V142 PolarHBondContact O-N 2.9Å; T139-V142 PolarHBondContact O-N 3.47Å; T139-V142 VanDerWaalsContact O-N 3.14Å; V142-C144 PolarHBondContact O-N 2.97Å; V142-L145 WeakPolarHBondContact O-CA 3.29Å; V142-L145 WeakPolarHBondContact O-CB 3.12Å; V142-L145 PolarHBondContact O-N 2.89Å; V142-I146 HydrophobicContact CG1-CG1 4.23Å; V142-I146 WeakPolarHBondContact O-CG1 3.3Å; V142-I146 PolarHBondContact O-N 3.16Å; V142-T164 HydrophobicContact CB-CG2 4.45Å; V142-T164 HydrophobicContact CG1-CG2 3.77Å; V142-V182 HydrophobicContact CG1-CG2 4.18Å; V142-D200 HydrophobicContact CG2-CB 4.15Å
143	D	91.3	Very high	90.4	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-53.6	-36	172.9	-80.8	12	0	0	0	112.2	T139 F141 I146 E147 T161 R162 Y163	T139-D143 PolarHBondContact O-N 2.91Å; F141-D143 VanDerWaalsContact C-N 3.35Å; F141-D143 PolarHBondContact O-N 3.45Å; D143-I146 PolarHBondContact O-N 3.22Å; D143-E147 WeakPolarHBondContact O-CB 3.46Å; D143-E147 PolarHBondContact O-N 3.47Å; D143-T161 WeakPolarHBondContact OD2-CB 3.44Å; D143-T161 PolarHBondContact OD2-N 3.4Å; D143-T161 PolarHBondContact OD2-OG1 3.29Å; D143-R162 WeakPolarHBondContact OD1-CA 3.32Å; D143-R162 PolarHBondContact OD1-N 3.05Å; D143-R162 PolarHBondContact OD2-N 3.1Å; D143-Y163 WeakPolarHBondContact OD1-CB 3.42Å; D143-Y163 PolarHBondContact OD1-N 2.66Å
144	C	91.1	Very high	89.5	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.02	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-41	175.1	-53.3	0	0	0	0	111.8	C140 F141 V142 I146 E147 Q148 G310 N313 F425	C140-C144 PolarHBondContact O-N 3.38Å; C140-C144 PolarHBondContact O-SG 2.99Å; F141-C144 VanDerWaalsContact O-CB 3.27Å; F141-C144 WeakPolarHBondContact O-CB 3.36Å; F141-C144 PolarHBondContact O-N 3.1Å; F141-C144 VanDerWaalsContact O-N 3.13Å; V142-C144 PolarHBondContact O-N 2.97Å; C144-I146 VanDerWaalsContact C-N 3.33Å; C144-E147 PolarHBondContact O-N 3.28Å; C144-Q148 WeakPolarHBondContact O-CB 3.31Å; C144-Q148 PolarHBondContact O-N 3.4Å; C144-G310 PolarHBondContact SG-O 3.1Å; C144-N313 WeakPolarHBondContact CB-OD1 3.33Å; C144-N313 PolarHBondContact SG-OD1 2.96Å; C144-F425 HydrophobicContact CB-CD2 4.23Å; C144-F425 HydrophobicContact CB-CE1 4.2Å; C144-F425 HydrophobicContact CB-CE2 3.44Å; C144-F425 VanDerWaalsContact CB-CE2 3.44Å; C144-F425 HydrophobicContact CB-CZ 3.44Å; C144-F425 VanDerWaalsContact CB-CZ 3.44Å
145	L	92.4	Very high	88.7	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-36.2	177.6	-53.5	-177.8	0	0	0	111.4	F141 V142 T149 L184 M186 I198 F425 F428	F141-L145 HydrophobicContact CD1-CD1 4.23Å; F141-L145 HydrophobicContact CD1-CG 4.38Å; F141-L145 HydrophobicContact CE1-CD1 4.13Å; F141-L145 HydrophobicContact CE1-CD2 4.2Å; F141-L145 HydrophobicContact CE1-CG 4.34Å; F141-L145 WeakPolarHBondContact O-CG 3.3Å; F141-L145 PolarHBondContact O-N 3.36Å; V142-L145 WeakPolarHBondContact O-CA 3.29Å; V142-L145 WeakPolarHBondContact O-CB 3.12Å; V142-L145 PolarHBondContact O-N 2.89Å; L145-T149 WeakPolarHBondContact O-CB 3.43Å; L145-T149 WeakPolarHBondContact O-CG2 3.48Å; L145-T149 PolarHBondContact O-N 3.11Å; L145-T149 VanDerWaalsContact O-N 3.11Å; L145-T149 PolarHBondContact O-OG1 2.73Å; L145-L184 HydrophobicContact CB-CD1 3.88Å; L145-M186 HydrophobicContact CD1-SD 4.48Å; L145-M186 HydrophobicContact CD2-CE 3.65Å; L145-M186 HydrophobicContact CD2-SD 4.07Å; L145-I198 HydrophobicContact CD1-CD1 3.43Å; L145-I198 VanDerWaalsContact CD1-CD1 3.43Å; L145-F425 HydrophobicContact CD2-CB 3.85Å; L145-F425 HydrophobicContact CD2-CD2 3.63Å; L145-F425 HydrophobicContact CD2-CG 4.07Å; L145-F428 HydrophobicContact CD1-CE1 4.27Å
146	I	90.2	Very high	87.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-46.7	173.2	-59.9	-66.6	0	0	0	110.5	V142 D143 C144 Q148 T149 H150 F153 Y163 V182 L184	V142-I146 HydrophobicContact CG1-CG1 4.23Å; V142-I146 WeakPolarHBondContact O-CG1 3.3Å; V142-I146 PolarHBondContact O-N 3.16Å; D143-I146 PolarHBondContact O-N 3.22Å; C144-I146 VanDerWaalsContact C-N 3.33Å; I146-Q148 PolarHBondContact O-N 3.47Å; I146-T149 WeakPolarHBondContact CA-OG1 3.17Å; I146-T149 PolarHBondContact O-N 3.17Å; I146-T149 PolarHBondContact O-OG1 3.39Å; I146-H150 HydrophobicContact CG2-CB 4.27Å; I146-H150 WeakPolarHBondContact O-CB 3.46Å; I146-H150 PolarHBondContact O-N 3.19Å; I146-F153 HydrophobicContact CB-CD1 4.21Å; I146-F153 HydrophobicContact CB-CE1 4.31Å; I146-F153 HydrophobicContact CG2-CB 4.2Å; I146-F153 HydrophobicContact CG2-CD1 3.6Å; I146-F153 HydrophobicContact CG2-CD2 4.44Å; I146-F153 HydrophobicContact CG2-CE1 4.01Å; I146-F153 HydrophobicContact CG2-CG 3.82Å; I146-Y163 HydrophobicContact CB-CD1 4.45Å; I146-Y163 HydrophobicContact CB-CG 4.44Å; I146-Y163 HydrophobicContact CD1-CD1 3.72Å; I146-Y163 HydrophobicContact CD1-CE1 3.72Å; I146-Y163 HydrophobicContact CG1-CD1 3.63Å; I146-Y163 HydrophobicContact CG1-CE1 4.11Å; I146-Y163 HydrophobicContact CG1-CG 4.01Å; I146-Y163 HydrophobicContact CG2-CD1 4.14Å; I146-Y163 HydrophobicContact CG2-CD2 3.98Å; I146-Y163 HydrophobicContact CG2-CE1 4.24Å; I146-Y163 HydrophobicContact CG2-CE2 4.11Å; I146-Y163 HydrophobicContact CG2-CG 3.99Å; I146-V182 HydrophobicContact CD1-CG1 3.86Å; I146-L184 HydrophobicContact CD1-CD1 4.24Å; I146-L184 HydrophobicContact CD1-CD2 4.13Å
147	E	89.2	Confident	86.6	Confident	15 Å²	15	35.6 Å²	35.6	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-30	175.8	-166.3	-167.9	162.3	0	0	112.8	D143 C144 F153 R155 N313 R419	D143-E147 WeakPolarHBondContact O-CB 3.46Å; D143-E147 PolarHBondContact O-N 3.47Å; C144-E147 PolarHBondContact O-N 3.28Å; E147-F153 HydrophobicContact CB-CD1 4.22Å; E147-R155 IonicContact OE2-CZ 2.68Å; E147-R155 IonicContact OE2-NE 3.42Å; E147-R155 PolarHBondContact OE2-NE 3.44Å; E147-R155 IonicContact OE2-NH2 3.49Å; E147-N313 PolarHBondContact OE1-ND2 2.71Å; E147-N313 PolarHBondContact OE2-ND2 3.42Å; E147-R419 PolarHBondContact O-NH2 2.8Å; E147-R419 VanDerWaalsContact O-NH2 3.1Å; E147-R419 WeakPolarHBondContact OE1-CD 3.49Å; E147-R419 IonicContact OE1-CZ 3.35Å; E147-R419 IonicContact OE1-NE 3.09Å; E147-R419 IonicContact OE1-NH1 2.74Å; E147-R419 PolarHBondContact OE1-NH1 3.21Å
148	Q	89.8	Confident	85.6	Confident	27 Å²	27	41.7 Å²	41.7	13%	0.126	23%	0.226	C	C	.	.	H	α-helix	trans	-74	-40.2	172.9	-172.6	-170	-31.9	0	0	112.5	C144 I146 D424	C144-Q148 WeakPolarHBondContact O-CB 3.31Å; C144-Q148 PolarHBondContact O-N 3.4Å; I146-Q148 PolarHBondContact O-N 3.47Å; Q148-D424 VanDerWaalsContact CD-CG 3.45Å; Q148-D424 HydrophobicContact CG-CB 4.36Å; Q148-D424 VanDerWaalsContact NE2-CB 3.26Å; Q148-D424 PolarHBondContact NE2-OD2 3.04Å
149	T	88.6	Confident	84.5	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-94.3	-21	-170	50	0	0	0	0	114.8	T108 V109 Y110 L145 I146 L184	T108-T149 WeakPolarHBondContact CA-O 3.4Å; V109-T149 PolarHBondContact N-O 3Å; Y110-T149 HydrophobicContact CE1-CG2 4.08Å; L145-T149 WeakPolarHBondContact O-CB 3.43Å; L145-T149 WeakPolarHBondContact O-CG2 3.48Å; L145-T149 PolarHBondContact O-N 3.11Å; L145-T149 VanDerWaalsContact O-N 3.11Å; L145-T149 PolarHBondContact O-OG1 2.73Å; I146-T149 WeakPolarHBondContact CA-OG1 3.17Å; I146-T149 PolarHBondContact O-N 3.17Å; I146-T149 PolarHBondContact O-OG1 3.39Å; T149-L184 HydrophobicContact CG2-CB 4.43Å; T149-L184 HydrophobicContact CG2-CD1 4.28Å; T149-L184 HydrophobicContact CG2-CD2 4.41Å
150	H	88.4	Confident	83.6	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.028	27%	0.266	C	S	.	.			trans	-122.2	95.7	-176.5	-64.9	76.2	0	0	0	109.7	T108 I146 A152 F153	T108-H150 WeakPolarHBondContact CG2-NE2 3.49Å; I146-H150 HydrophobicContact CG2-CB 4.27Å; I146-H150 WeakPolarHBondContact O-CB 3.46Å; I146-H150 PolarHBondContact O-N 3.19Å; H150-A152 PolarHBondContact O-N 3.02Å; H150-A152 VanDerWaalsContact O-N 3.11Å; H150-F153 HydrophobicContact CB-CB 4.03Å; H150-F153 WeakPolarHBondContact O-CB 3.38Å; H150-F153 PolarHBondContact O-N 2.79Å
151	P	83.9	Confident	82.7	Confident	87 Å²	87	52 Å²	52	57%	0.565	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.4	-171.5	-25.2	36	0	0	0	114.9	V109	V109-P151 HydrophobicContact CG2-CG 3.66Å
152	A	81.6	Confident	82.1	Confident	85 Å²	85	54.4 Å²	54.4	70%	0.702	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.9	177	0	0	0	0	0	113.5	H150	H150-A152 PolarHBondContact O-N 3.02Å; H150-A152 VanDerWaalsContact O-N 3.11Å
153	F	81.5	Confident	81.7	Confident	39 Å²	39	55.1 Å²	55.1	17%	0.171	28%	0.279	C	S	.	.			trans	-85.2	115.6	178.5	179.4	-103.3	0	0	0	110.7	I146 E147 H150 R155 T161 Y163	I146-F153 HydrophobicContact CB-CD1 4.21Å; I146-F153 HydrophobicContact CB-CE1 4.31Å; I146-F153 HydrophobicContact CG2-CB 4.2Å; I146-F153 HydrophobicContact CG2-CD1 3.6Å; I146-F153 HydrophobicContact CG2-CD2 4.44Å; I146-F153 HydrophobicContact CG2-CE1 4.01Å; I146-F153 HydrophobicContact CG2-CG 3.82Å; E147-F153 HydrophobicContact CB-CD1 4.22Å; H150-F153 HydrophobicContact CB-CB 4.03Å; H150-F153 WeakPolarHBondContact O-CB 3.38Å; H150-F153 PolarHBondContact O-N 2.79Å; F153-R155 HydrophobicContact CE1-CG 3.89Å; F153-R155 HydrophobicContact CZ-CG 4.42Å; F153-T161 HydrophobicContact CE2-CG2 4.49Å; F153-T161 HydrophobicContact CZ-CG2 4.22Å; F153-Y163 HydrophobicContact CD2-CD2 4.02Å; F153-Y163 HydrophobicContact CD2-CE2 4.37Å; F153-Y163 AromaticContact CE2-CD2 3.69Å; F153-Y163 HydrophobicContact CE2-CD2 3.69Å; F153-Y163 HydrophobicContact CE2-CE2 4.46Å; F153-Y163 HydrophobicContact CZ-CD2 4.13Å
154	T	75.5	Confident	81.4	Confident	108 Å²	108	55.2 Å²	55.2	66%	0.663	28%	0.28	S	S	*	.			trans	-117.8	130.5	176.1	-48	0	0	0	0	109.6
155	R	77.3	Confident	81.1	Confident	36 Å²	36	55.5 Å²	55.5	14%	0.136	28%	0.281	C	S	.	.			trans	-70.5	149.5	176.3	-57.9	-169.7	-64.5	152.2	7.7	110.4	E147 F153 T161 G310 R311 N313 S415	E147-R155 IonicContact OE2-CZ 2.68Å; E147-R155 IonicContact OE2-NE 3.42Å; E147-R155 PolarHBondContact OE2-NE 3.44Å; E147-R155 IonicContact OE2-NH2 3.49Å; F153-R155 HydrophobicContact CE1-CG 3.89Å; F153-R155 HydrophobicContact CZ-CG 4.42Å; R155-T161 HydrophobicContact CB-CG2 4.47Å; R155-G310 PolarHBondContact NH1-O 3.03Å; R155-R311 PolarHBondContact NH2-O 3.13Å; R155-N313 VanDerWaalsContact NH2-CG 3.31Å; R155-N313 PolarHBondContact NH2-ND2 2.81Å; R155-N313 VanDerWaalsContact NH2-ND2 3.19Å; R155-N313 PolarHBondContact NH2-OD1 3.3Å; R155-S415 PolarHBondContact NH2-OG 3.37Å
156	R	73.8	Confident	80.6	Confident	182 Å²	182	58.4 Å²	58.4	69%	0.687	30%	0.299	S	S	*	.			trans	-82.2	141.9	177.8	-67	-176.9	-179.5	-176.8	2.3	110.1	D158 T161	R156-D158 PolarHBondContact O-N 3.44Å; R156-T161 HydrophobicContact CB-CG2 4.31Å; R156-T161 HydrophobicContact CG-CG2 4.03Å
157	D	68.9	Low	80.1	Confident	96 Å²	96	61.1 Å²	61.1	51%	0.513	31%	0.313	S	S	.	.	S	Bend	trans	-66.7	-38	-175.7	-70.5	-22.6	0	0	0	113.5	P412	D157-P412 HydrophobicContact CB-CG 3.68Å; D157-P412 WeakPolarHBondContact OD1-CB 3.41Å; D157-P412 WeakPolarHBondContact OD1-CG 3.45Å
158	D	69	Low	79.7	Confident	142 Å²	142	66.6 Å²	66.6	76%	0.759	34%	0.343	S	S	*	.	S	Bend	trans	-90.6	-26.5	-169.8	-56.7	-42	0	0	0	114	R156	R156-D158 PolarHBondContact O-N 3.44Å
159	R	70.9	Confident	79.5	Confident	170 Å²	170	65.6 Å²	65.6	64%	0.642	34%	0.339	S	S	*	.	S	Bend	trans	-143.6	140.6	-173.1	-66.6	-172.4	-179	-170.8	-0.4	110.8	T161	R159-T161 PolarHBondContact O-N 3.22Å
160	D	73.2	Confident	79.4	Confident	65 Å²	65	65.5 Å²	65.5	35%	0.348	34%	0.338	S	S	.	.			trans	-60.6	134.4	174.5	-52.1	-16.1	0	0	0	109.5	R162 R311	D160-R162 HydrophobicContact CB-CG 4.35Å; D160-R311 IonicContact OD1-CZ 2.72Å; D160-R311 IonicContact OD1-NH1 2.82Å; D160-R311 PolarHBondContact OD1-NH1 2.99Å; D160-R311 IonicContact OD1-NH2 3.45Å; D160-R311 IonicContact OD2-NH1 3.15Å
161	T	74.1	Confident	79.2	Confident	23 Å²	23	71 Å²	71	14%	0.141	36%	0.359	C	S	.	.			trans	-77.8	-36.1	-169.2	21.6	0	0	0	0	114.8	D143 F153 R155 R156 R159	D143-T161 WeakPolarHBondContact OD2-CB 3.44Å; D143-T161 PolarHBondContact OD2-N 3.4Å; D143-T161 PolarHBondContact OD2-OG1 3.29Å; F153-T161 HydrophobicContact CE2-CG2 4.49Å; F153-T161 HydrophobicContact CZ-CG2 4.22Å; R155-T161 HydrophobicContact CB-CG2 4.47Å; R156-T161 HydrophobicContact CB-CG2 4.31Å; R156-T161 HydrophobicContact CG-CG2 4.03Å; R159-T161 PolarHBondContact O-N 3.22Å
162	R	81.4	Confident	79.3	Confident	52 Å²	52	74 Å²	74	20%	0.196	37%	0.366	C	S	.	.			trans	54.4	70.8	176.5	-46.6	-162.8	-174.4	-162.8	2.1	113	T139 D143 D160 T164 D165 G174 R534	T139-R162 HydrophobicContact CG2-CB 3.82Å; T139-R162 HydrophobicContact CG2-CG 4.17Å; D143-R162 WeakPolarHBondContact OD1-CA 3.32Å; D143-R162 PolarHBondContact OD1-N 3.05Å; D143-R162 PolarHBondContact OD2-N 3.1Å; D160-R162 HydrophobicContact CB-CG 4.35Å; R162-T164 VanDerWaalsContact C-N 3.26Å; R162-T164 PolarHBondContact O-N 2.81Å; R162-D165 HydrophobicContact CB-CB 3.82Å; R162-D165 WeakPolarHBondContact CD-OD2 3.22Å; R162-D165 IonicContact CZ-OD2 3.37Å; R162-D165 IonicContact NE-OD2 3.67Å; R162-D165 IonicContact NH1-OD2 2.66Å; R162-D165 PolarHBondContact NH1-OD2 2.88Å; R162-D165 PolarHBondContact O-N 3.28Å; R162-G174 VanDerWaalsContact CZ-O 3.23Å; R162-G174 PolarHBondContact NH1-O 3.35Å; R162-G174 PolarHBondContact NH2-O 3.48Å; R162-R534 PolarHBondContact O-NH2 3.28Å
163	Y	83.4	Confident	79.5	Confident	16 Å²	16	73.9 Å²	73.9	6%	0.063	35%	0.347	C	S	.	.	S	Bend	trans	-62.4	-33.6	-177.7	-171.7	-97.2	0	0	0	112.8	D143 I146 F153 E532 S533 R534	D143-Y163 WeakPolarHBondContact OD1-CB 3.42Å; D143-Y163 PolarHBondContact OD1-N 2.66Å; I146-Y163 HydrophobicContact CB-CD1 4.45Å; I146-Y163 HydrophobicContact CB-CG 4.44Å; I146-Y163 HydrophobicContact CD1-CD1 3.72Å; I146-Y163 HydrophobicContact CD1-CE1 3.72Å; I146-Y163 HydrophobicContact CG1-CD1 3.63Å; I146-Y163 HydrophobicContact CG1-CE1 4.11Å; I146-Y163 HydrophobicContact CG1-CG 4.01Å; I146-Y163 HydrophobicContact CG2-CD1 4.14Å; I146-Y163 HydrophobicContact CG2-CD2 3.98Å; I146-Y163 HydrophobicContact CG2-CE1 4.24Å; I146-Y163 HydrophobicContact CG2-CE2 4.11Å; I146-Y163 HydrophobicContact CG2-CG 3.99Å; F153-Y163 HydrophobicContact CD2-CD2 4.02Å; F153-Y163 HydrophobicContact CD2-CE2 4.37Å; F153-Y163 AromaticContact CE2-CD2 3.69Å; F153-Y163 HydrophobicContact CE2-CD2 3.69Å; F153-Y163 HydrophobicContact CE2-CE2 4.46Å; F153-Y163 HydrophobicContact CZ-CD2 4.13Å; Y163-E532 WeakPolarHBondContact CE1-O 3.46Å; Y163-S533 PolarHBondContact O-OG 3.37Å; Y163-R534 HydrophobicContact CD2-CG 4.42Å; Y163-R534 HydrophobicContact CE1-CB 4.42Å; Y163-R534 HydrophobicContact CE1-CG 4.19Å; Y163-R534 HydrophobicContact CE2-CB 4.31Å; Y163-R534 HydrophobicContact CE2-CG 4.07Å; Y163-R534 PolarHBondContact O-NE 3.09Å
164	T	84.5	Confident	79.7	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.018	35%	0.346	C	S	.	.	S	Bend	trans	-81.4	-25.8	178.4	37.1	0	0	0	0	114.9	T139 V142 R162 T166 M180 V182 D200	T139-T164 VanDerWaalsContact CG2-OG1 3.22Å; T139-T164 WeakPolarHBondContact CG2-OG1 3.27Å; V142-T164 HydrophobicContact CB-CG2 4.45Å; V142-T164 HydrophobicContact CG1-CG2 3.77Å; R162-T164 VanDerWaalsContact C-N 3.26Å; R162-T164 PolarHBondContact O-N 2.81Å; T164-T166 PolarHBondContact O-N 3.42Å; T164-T166 VanDerWaalsContact O-N 3.11Å; T164-M180 HydrophobicContact CG2-CB 4.29Å; T164-M180 HydrophobicContact CG2-CG 4.46Å; T164-V182 HydrophobicContact CG2-CG2 3.63Å; T164-D200 HydrophobicContact CG2-CB 3.97Å; T164-D200 PolarHBondContact OG1-OD2 2.91Å
165	D	85.6	Confident	80.3	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.043	32%	0.32	C	S	.	.			trans	-71.2	104.3	169.6	-67.9	7.2	0	0	0	106.7	R162 E170 S176 R534	R162-D165 HydrophobicContact CB-CB 3.82Å; R162-D165 WeakPolarHBondContact CD-OD2 3.22Å; R162-D165 IonicContact CZ-OD2 3.37Å; R162-D165 IonicContact NE-OD2 3.67Å; R162-D165 IonicContact NH1-OD2 2.66Å; R162-D165 PolarHBondContact NH1-OD2 2.88Å; R162-D165 PolarHBondContact O-N 3.28Å; D165-E170 WeakPolarHBondContact CA-OE2 3.38Å; D165-E170 HydrophobicContact CB-CB 3.83Å; D165-S176 VanDerWaalsContact OD1-CB 3.25Å; D165-S176 WeakPolarHBondContact OD1-CB 3.41Å; D165-S176 PolarHBondContact OD1-OG 3.26Å; D165-R534 PolarHBondContact O-NH2 3.45Å
166	T	80.9	Confident	81	Confident	61 Å²	61	67.2 Å²	67.2	37%	0.374	32%	0.317	S	S	.	.			trans	-107.5	-21.3	-174	54.2	0	0	0	0	112.8	T164 E170 M180 R534	T164-T166 PolarHBondContact O-N 3.42Å; T164-T166 VanDerWaalsContact O-N 3.11Å; T166-E170 PolarHBondContact N-OE2 3.19Å; T166-M180 HydrophobicContact CG2-CE 4.11Å; T166-R534 HydrophobicContact CG2-CG 4.05Å
167	L	81.3	Confident	81.9	Confident	57 Å²	57	58.6 Å²	58.6	30%	0.298	29%	0.285	S	S	.	.	S	Bend	trans	-85	142.7	178.3	-55.6	175	0	0	0	110.5	T169 E170 Y171 K178	L167-T169 WeakPolarHBondContact CB-OG1 3.45Å; L167-T169 PolarHBondContact O-N 2.67Å; L167-E170 HydrophobicContact CB-CB 4.47Å; L167-E170 HydrophobicContact CB-CG 3.98Å; L167-E170 HydrophobicContact CD1-CG 4.42Å; L167-E170 PolarHBondContact N-OE2 2.78Å; L167-E170 VanDerWaalsContact N-OE2 3.12Å; L167-E170 WeakPolarHBondContact O-CB 2.98Å; L167-E170 PolarHBondContact O-N 2.75Å; L167-Y171 PolarHBondContact O-N 3.15Å; L167-K178 HydrophobicContact CD1-CG 3.68Å
168	N	80.8	Confident	82.9	Confident	131 Å²	131	55 Å²	55	70%	0.701	26%	0.264	S	S	*	.	H	α-helix	trans	-57.6	-35.8	174.6	-68.8	-17.5	0	0	0	111.6	E170 Y171 E172	N168-E170 VanDerWaalsContact C-N 3.34Å; N168-E170 PolarHBondContact O-N 3.46Å; N168-Y171 PolarHBondContact O-N 3.41Å; N168-E172 WeakPolarHBondContact O-CB 3.4Å; N168-E172 WeakPolarHBondContact O-CG 3.36Å; N168-E172 PolarHBondContact O-N 3.19Å
169	T	84.6	Confident	83.9	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-38.2	175.1	47.3	0	0	0	0	113.4	L167 R173 H660	L167-T169 WeakPolarHBondContact CB-OG1 3.45Å; L167-T169 PolarHBondContact O-N 2.67Å; T169-R173 VanDerWaalsContact O-CB 3.26Å; T169-R173 WeakPolarHBondContact O-CB 3.39Å; T169-R173 VanDerWaalsContact O-CG 3.25Å; T169-R173 WeakPolarHBondContact O-CG 3.49Å; T169-R173 PolarHBondContact O-N 2.71Å; T169-H660 WeakPolarHBondContact CG2-CD2 3.43Å; T169-H660 VanDerWaalsContact CG2-NE2 3.32Å; T169-H660 WeakPolarHBondContact CG2-NE2 3.47Å
170	E	86.8	Confident	84.8	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-40.6	177.3	-64.2	175.6	136.2	0	0	111	D165 T166 L167 N168 G174 V175 I177 K178	D165-E170 WeakPolarHBondContact CA-OE2 3.38Å; D165-E170 HydrophobicContact CB-CB 3.83Å; T166-E170 PolarHBondContact N-OE2 3.19Å; L167-E170 HydrophobicContact CB-CB 4.47Å; L167-E170 HydrophobicContact CB-CG 3.98Å; L167-E170 HydrophobicContact CD1-CG 4.42Å; L167-E170 PolarHBondContact N-OE2 2.78Å; L167-E170 VanDerWaalsContact N-OE2 3.12Å; L167-E170 WeakPolarHBondContact O-CB 2.98Å; L167-E170 PolarHBondContact O-N 2.75Å; N168-E170 VanDerWaalsContact C-N 3.34Å; N168-E170 PolarHBondContact O-N 3.46Å; E170-G174 VanDerWaalsContact O-CA 3.3Å; E170-G174 WeakPolarHBondContact O-CA 3.4Å; E170-G174 PolarHBondContact O-N 3.38Å; E170-V175 WeakPolarHBondContact CA-O 3.32Å; E170-V175 PolarHBondContact O-N 2.89Å; E170-I177 HydrophobicContact CG-CB 3.88Å; E170-I177 HydrophobicContact CG-CD1 3.81Å; E170-I177 HydrophobicContact CG-CG1 3.91Å; E170-I177 PolarHBondContact OE1-N 3.39Å; E170-K178 PolarHBondContact OE1-N 2.83Å
171	Y	83.6	Confident	85.4	Confident	123 Å²	123	38.1 Å²	38.1	48%	0.482	19%	0.187	S	C	.	.	H	α-helix	trans	-64.8	-47.5	176.3	-175.1	-97.3	0	0	0	112.5	L167 N168 G174	L167-Y171 PolarHBondContact O-N 3.15Å; N168-Y171 PolarHBondContact O-N 3.41Å; Y171-G174 PolarHBondContact O-N 2.92Å
172	E	85.9	Confident	86.1	Confident	150 Å²	150	37 Å²	37	70%	0.701	18%	0.18	S	C	*	.	H	α-helix	trans	-67.4	-47.5	-179.1	-74	178.2	-179.5	0	0	112.6	N168 G174	N168-E172 WeakPolarHBondContact O-CB 3.4Å; N168-E172 WeakPolarHBondContact O-CG 3.36Å; N168-E172 PolarHBondContact O-N 3.19Å; E172-G174 VanDerWaalsContact C-N 3.25Å; E172-G174 PolarHBondContact O-N 2.84Å
173	R	85.6	Confident	86.5	Confident	81 Å²	81	34.8 Å²	34.8	31%	0.306	17%	0.172	S	C	.	.	H	α-helix	trans	-73.1	-21.6	178.7	-65.7	171.9	-177	-99.2	-6.9	112.2	T169 V175 D656	T169-R173 VanDerWaalsContact O-CB 3.26Å; T169-R173 WeakPolarHBondContact O-CB 3.39Å; T169-R173 VanDerWaalsContact O-CG 3.25Å; T169-R173 WeakPolarHBondContact O-CG 3.49Å; T169-R173 PolarHBondContact O-N 2.71Å; R173-V175 PolarHBondContact O-N 3Å; R173-D656 IonicContact CZ-OD2 3.6Å; R173-D656 IonicContact NH1-OD2 2.76Å; R173-D656 PolarHBondContact NH1-OD2 2.87Å; R173-D656 IonicContact NH2-OD1 3.81Å; R173-D656 PolarHBondContact NH2-OD1 2.85Å; R173-D656 IonicContact NH2-OD2 3.62Å; R173-D656 PolarHBondContact NH2-OD2 2.88Å
174	G	85.9	Confident	86.8	Confident	15 Å²	15	34 Å²	34	16%	0.155	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	27.9	-172	0	0	0	0	0	112.8	H135 R162 E170 Y171 E172	H135-G174 PolarHBondContact CE1-O 3.34Å; H135-G174 VanDerWaalsContact CE1-O 3.28Å; R162-G174 VanDerWaalsContact CZ-O 3.23Å; R162-G174 PolarHBondContact NH1-O 3.35Å; R162-G174 PolarHBondContact NH2-O 3.48Å; E170-G174 VanDerWaalsContact O-CA 3.3Å; E170-G174 WeakPolarHBondContact O-CA 3.4Å; E170-G174 PolarHBondContact O-N 3.38Å; Y171-G174 PolarHBondContact O-N 2.92Å; E172-G174 VanDerWaalsContact C-N 3.25Å; E172-G174 PolarHBondContact O-N 2.84Å
175	V	89.2	Confident	87.2	Confident	17 Å²	17	34.4 Å²	34.4	10%	0.103	17%	0.171	C	C	.	.	S	Bend	trans	-133.6	124	178.1	178.9	0	0	0	0	108.7	L134 E170 R173 I177 H204	L134-V175 HydrophobicContact CD1-CG1 3.95Å; L134-V175 HydrophobicContact CD1-CG2 4.29Å; E170-V175 WeakPolarHBondContact CA-O 3.32Å; E170-V175 PolarHBondContact O-N 2.89Å; R173-V175 PolarHBondContact O-N 3Å; V175-I177 PolarHBondContact O-N 2.97Å; V175-H204 HydrophobicContact CG1-CB 4.17Å
176	S	91.9	Very high	87.6	Confident	12 Å²	12	34.2 Å²	34.2	8%	0.084	17%	0.17	C	C	.	.			trans	-63.4	128.7	170.4	-37.9	0	0	0	0	109.5	T139 D165 P202	T139-S176 PolarHBondContact OG1-OG 3.23Å; D165-S176 VanDerWaalsContact OD1-CB 3.25Å; D165-S176 WeakPolarHBondContact OD1-CB 3.41Å; D165-S176 PolarHBondContact OD1-OG 3.26Å; S176-P202 WeakPolarHBondContact O-CB 3.47Å
177	I	91.6	Very high	88.1	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.169	C	C	.	.			trans	-105.1	-47.7	-175.2	-67.4	161.5	0	0	0	108.9	E170 V175 F207 E210 Y632 C657	E170-I177 HydrophobicContact CG-CB 3.88Å; E170-I177 HydrophobicContact CG-CD1 3.81Å; E170-I177 HydrophobicContact CG-CG1 3.91Å; E170-I177 PolarHBondContact OE1-N 3.39Å; V175-I177 PolarHBondContact O-N 2.97Å; I177-F207 HydrophobicContact CB-CE2 4.41Å; I177-F207 HydrophobicContact CB-CZ 4.4Å; I177-F207 HydrophobicContact CG1-CE2 4.02Å; I177-F207 HydrophobicContact CG1-CZ 4.07Å; I177-F207 HydrophobicContact CG2-CD1 4.19Å; I177-F207 HydrophobicContact CG2-CE1 3.8Å; I177-F207 HydrophobicContact CG2-CE2 4.37Å; I177-F207 HydrophobicContact CG2-CZ 3.93Å; I177-E210 WeakPolarHBondContact O-CG 3.44Å; I177-Y632 HydrophobicContact CG2-CE1 4.11Å; I177-C657 HydrophobicContact CD1-CB 4.24Å; I177-C657 WeakPolarHBondContact CD1-SG 3.36Å; I177-C657 HydrophobicContact CG2-CB 4.44Å
178	K	90.4	Very high	88.6	Confident	19 Å²	19	32 Å²	32	8%	0.083	15%	0.154	C	C	.	.	S	Bend	trans	-96.3	149	-177.6	-59.3	-58.3	-178.1	175.9	0	111	L167 E170 E210 S631 Y632	L167-K178 HydrophobicContact CD1-CG 3.68Å; E170-K178 PolarHBondContact OE1-N 2.83Å; K178-E210 WeakPolarHBondContact CD-OE1 3.32Å; K178-E210 IonicContact NZ-OE1 2.81Å; K178-S631 WeakPolarHBondContact CE-OG 3.47Å; K178-S631 PolarHBondContact NZ-O 3.32Å; K178-S631 PolarHBondContact NZ-OG 2.91Å; K178-Y632 VanDerWaalsContact NZ-CD2 3.25Å; K178-Y632 VanDerWaalsContact NZ-CG 3.27Å
179	S	90.9	Very high	88.9	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.007	13%	0.127	C	C	.	.			trans	-73.4	126.2	165.2	51.1	0	0	0	0	109.6	D200 E210 Y480	S179-D200 CarbonylContact C-O 3.43Å; S179-D200 WeakPolarHBondContact CA-O 3.24Å; S179-E210 PolarHBondContact N-OE2 3.44Å; S179-E210 PolarHBondContact OG-OE2 3.02Å; S179-Y480 WeakPolarHBondContact O-CE1 3.23Å; S179-Y480 VanDerWaalsContact O-CZ 3.31Å; S179-Y480 PolarHBondContact O-OH 2.83Å
180	M	88.2	Confident	89	Confident	20 Å²	20	34.6 Å²	34.6	10%	0.099	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.2	-176.9	-161.2	62.3	177	0	0	112	T164 T166 F199 D200 Y480 S533	T164-M180 HydrophobicContact CG2-CB 4.29Å; T164-M180 HydrophobicContact CG2-CG 4.46Å; T166-M180 HydrophobicContact CG2-CE 4.11Å; M180-F199 WeakPolarHBondContact O-CA 3.35Å; M180-D200 PolarHBondContact N-O 3.04Å; M180-D200 PolarHBondContact O-N 2.78Å; M180-Y480 HydrophobicContact SD-CD1 4.49Å; M180-Y480 HydrophobicContact SD-CE1 4.19Å; M180-S533 VanDerWaalsContact CE-O 3.26Å; M180-S533 WeakPolarHBondContact CE-O 3.49Å
181	P	87.8	Confident	89.1	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	141.6	179.3	28	-20.4	0	0	0	111.3	I198 F199 Y480 F491 C531 S533	P181-I198 CarbonylContact C-O 3.56Å; P181-I198 WeakPolarHBondContact CA-O 3.46Å; P181-F199 HydrophobicContact CB-CD1 3.84Å; P181-F199 HydrophobicContact CB-CE1 3.76Å; P181-F199 HydrophobicContact CB-CG 4.48Å; P181-F199 HydrophobicContact CB-CZ 4.36Å; P181-F199 HydrophobicContact CG-CD1 4.44Å; P181-F199 HydrophobicContact CG-CE1 4.12Å; P181-Y480 WeakPolarHBondContact CD-OH 3.45Å; P181-Y480 HydrophobicContact CG-CE2 4.01Å; P181-F491 HydrophobicContact CB-CE1 4.23Å; P181-F491 HydrophobicContact CB-CE2 3.93Å; P181-F491 HydrophobicContact CB-CZ 3.58Å; P181-F491 HydrophobicContact CG-CD2 3.99Å; P181-F491 HydrophobicContact CG-CE1 4.21Å; P181-F491 HydrophobicContact CG-CE2 3.49Å; P181-F491 VanDerWaalsContact CG-CE2 3.49Å; P181-F491 HydrophobicContact CG-CZ 3.61Å; P181-C531 HydrophobicContact CB-CB 4.47Å; P181-C531 HydrophobicContact CG-CB 3.95Å; P181-C531 PolarHBondContact O-SG 3.29Å; P181-S533 PolarHBondContact O-N 3.18Å
182	V	88.3	Confident	89.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119	173.7	-166.5	0	0	0	0	108.6	V142 I146 T164 L184 I198	V142-V182 HydrophobicContact CG1-CG2 4.18Å; I146-V182 HydrophobicContact CD1-CG1 3.86Å; T164-V182 HydrophobicContact CG2-CG2 3.63Å; V182-L184 HydrophobicContact CG1-CD1 4.13Å; V182-L184 HydrophobicContact CG1-CD2 3.85Å; V182-L184 HydrophobicContact CG1-CG 3.74Å; V182-I198 PolarHBondContact N-O 2.78Å; V182-I198 PolarHBondContact O-N 2.72Å
183	T	88.8	Confident	89.9	Confident	4 Å²	4	33 Å²	33	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118	171.4	-68.1	0	0	0	0	109.7	M115 M119 L195 M196 N197 V530 C531	M115-T183 HydrophobicContact CE-CG2 4Å; M115-T183 VanDerWaalsContact CE-O 3.27Å; M115-T183 WeakPolarHBondContact CE-O 3.42Å; M115-T183 HydrophobicContact SD-CG2 4.1Å; M119-T183 HydrophobicContact CE-CG2 3.73Å; T183-L195 HydrophobicContact CG2-CD1 3.71Å; T183-L195 HydrophobicContact CG2-CD2 4.34Å; T183-L195 HydrophobicContact CG2-CG 4.08Å; T183-M196 WeakPolarHBondContact CA-O 3.22Å; T183-N197 WeakPolarHBondContact CB-OD1 3.41Å; T183-N197 WeakPolarHBondContact CG2-OD1 3.18Å; T183-N197 PolarHBondContact OG1-OD1 3.02Å; T183-V530 HydrophobicContact CG2-CG1 3.95Å; T183-C531 PolarHBondContact N-O 3.15Å
184	L	91.1	Very high	90.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.2	179.4	-61	177	0	0	0	111.3	L145 I146 T149 V182 M186 M196	L145-L184 HydrophobicContact CB-CD1 3.88Å; I146-L184 HydrophobicContact CD1-CD1 4.24Å; I146-L184 HydrophobicContact CD1-CD2 4.13Å; T149-L184 HydrophobicContact CG2-CB 4.43Å; T149-L184 HydrophobicContact CG2-CD1 4.28Å; T149-L184 HydrophobicContact CG2-CD2 4.41Å; V182-L184 HydrophobicContact CG1-CD1 4.13Å; V182-L184 HydrophobicContact CG1-CD2 3.85Å; V182-L184 HydrophobicContact CG1-CG 3.74Å; L184-M186 HydrophobicContact CB-CG 4.31Å; L184-M196 PolarHBondContact N-O 3.37Å; L184-M196 PolarHBondContact O-N 3.4Å
185	V	92.6	Very high	90.6	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124	164.9	171.7	0	0	0	0	108.9	Y110 Y114 M115 M118 L195	Y110-V185 HydrophobicContact CD1-CB 3.61Å; Y110-V185 HydrophobicContact CD1-CG1 4.3Å; Y110-V185 HydrophobicContact CD1-CG2 4.45Å; Y110-V185 HydrophobicContact CD2-CB 4.19Å; Y110-V185 HydrophobicContact CD2-CG2 4.16Å; Y110-V185 HydrophobicContact CE1-CB 3.84Å; Y110-V185 HydrophobicContact CE2-CB 4.44Å; Y110-V185 HydrophobicContact CE2-CG2 4.34Å; Y110-V185 HydrophobicContact CG-CB 3.78Å; Y110-V185 HydrophobicContact CG-CG1 4.36Å; Y110-V185 HydrophobicContact CG-CG2 4.23Å; Y114-V185 HydrophobicContact CD1-CG1 4.35Å; Y114-V185 HydrophobicContact CE1-CG1 4.07Å; M115-V185 HydrophobicContact CB-CG2 3.95Å; M115-V185 HydrophobicContact CE-CG2 4.28Å; M115-V185 HydrophobicContact CG-CG2 4.15Å; M118-V185 HydrophobicContact CE-CB 4.03Å; M118-V185 HydrophobicContact CE-CG1 3.48Å; M118-V185 VanDerWaalsContact CE-CG1 3.48Å; M118-V185 HydrophobicContact CE-CG2 3.57Å; V185-L195 HydrophobicContact CG2-CD1 3.96Å
186	M	93.1	Very high	90.7	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.9	-178.1	-66.2	-166.4	73.1	0	0	112.1	L145 L184 S193 Y194 M196 F425 F428 V429	L145-M186 HydrophobicContact CD1-SD 4.48Å; L145-M186 HydrophobicContact CD2-CE 3.65Å; L145-M186 HydrophobicContact CD2-SD 4.07Å; L184-M186 HydrophobicContact CB-CG 4.31Å; M186-S193 CarbonylContact O-C 3.54Å; M186-S193 WeakPolarHBondContact O-CA 3.45Å; M186-Y194 PolarHBondContact N-O 2.92Å; M186-Y194 PolarHBondContact O-N 3.36Å; M186-M196 HydrophobicContact CB-CG 4.21Å; M186-M196 HydrophobicContact CG-CG 4.36Å; M186-M196 HydrophobicContact SD-CG 4.38Å; M186-F425 HydrophobicContact CE-CB 4.19Å; M186-F428 HydrophobicContact CE-CD1 4.42Å; M186-F428 HydrophobicContact SD-CD1 4.11Å; M186-F428 HydrophobicContact SD-CE1 4.21Å; M186-V429 HydrophobicContact CB-CG2 3.6Å; M186-V429 HydrophobicContact CE-CG2 3.93Å; M186-V429 HydrophobicContact SD-CG2 4.14Å
187	Q	92.4	Very high	90.7	Very high	73 Å²	73	28.1 Å²	28.1	34%	0.341	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.7	-178.5	-67.8	-174.9	0.8	0	0	113.5	H191 K192 V429	Q187-H191 PolarHBondContact OE1-ND1 3.4Å; Q187-K192 WeakPolarHBondContact CA-O 3.29Å; Q187-V429 WeakPolarHBondContact O-CB 3.41Å; Q187-V429 WeakPolarHBondContact O-CG2 3.43Å
188	D	91.5	Very high	90.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.126	C	C	.	.			trans	-77.2	175.2	169.5	85.8	-17.2	0	0	0	111.9	R190 H191 K192 Y194 V429 D430	D188-R190 PolarHBondContact O-N 3.23Å; D188-R190 VanDerWaalsContact OD1-C 3.23Å; D188-R190 VanDerWaalsContact OD1-CA 3.26Å; D188-R190 WeakPolarHBondContact OD1-CA 3.26Å; D188-R190 WeakPolarHBondContact OD1-CB 3.15Å; D188-R190 PolarHBondContact OD1-N 2.77Å; D188-R190 IonicContact OD2-CZ 2.96Å; D188-R190 VanDerWaalsContact OD2-CZ 3.24Å; D188-R190 IonicContact OD2-NE 3.76Å; D188-R190 PolarHBondContact OD2-NE 3.24Å; D188-R190 IonicContact OD2-NH2 3.4Å; D188-R190 PolarHBondContact OD2-NH2 2.95Å; D188-H191 PolarHBondContact O-N 3.1Å; D188-H191 PolarHBondContact OD1-N 2.85Å; D188-H191 VanDerWaalsContact OD1-N 3.16Å; D188-K192 PolarHBondContact N-O 3.25Å; D188-K192 WeakPolarHBondContact OD1-CB 3.38Å; D188-K192 PolarHBondContact OD1-N 3Å; D188-Y194 HydrophobicContact CB-CD2 4.46Å; D188-Y194 HydrophobicContact CB-CE2 4.2Å; D188-V429 HydrophobicContact CB-CG1 3.81Å; D188-D430 WeakPolarHBondContact CB-OD1 3.29Å
189	T	87.4	Confident	90.8	Very high	22 Å²	22	27.2 Å²	27.2	14%	0.135	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-0.1	176.8	50.9	0	0	0	0	115.1	D430	T189-D430 WeakPolarHBondContact CB-OD2 3.5Å; T189-D430 WeakPolarHBondContact CG2-OD2 3.13Å; T189-D430 PolarHBondContact N-OD1 2.87Å; T189-D430 VanDerWaalsContact OG1-CG 3.28Å; T189-D430 PolarHBondContact OG1-OD1 2.72Å; T189-D430 VanDerWaalsContact OG1-OD1 3.12Å; T189-D430 PolarHBondContact OG1-OD2 2.88Å
190	R	86.8	Confident	91	Very high	168 Å²	168	27.3 Å²	27.3	63%	0.634	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.2	14.9	175	-54.7	170.2	-65.5	-170.8	-3.4	111.7	D188 K192	D188-R190 PolarHBondContact O-N 3.23Å; D188-R190 VanDerWaalsContact OD1-C 3.23Å; D188-R190 VanDerWaalsContact OD1-CA 3.26Å; D188-R190 WeakPolarHBondContact OD1-CA 3.26Å; D188-R190 WeakPolarHBondContact OD1-CB 3.15Å; D188-R190 PolarHBondContact OD1-N 2.77Å; D188-R190 IonicContact OD2-CZ 2.96Å; D188-R190 VanDerWaalsContact OD2-CZ 3.24Å; D188-R190 IonicContact OD2-NE 3.76Å; D188-R190 PolarHBondContact OD2-NE 3.24Å; D188-R190 IonicContact OD2-NH2 3.4Å; D188-R190 PolarHBondContact OD2-NH2 2.95Å; R190-K192 PolarHBondContact O-N 3.42Å
191	H	88.3	Confident	91.3	Very high	134 Å²	134	26.4 Å²	26.4	62%	0.62	12%	0.118	S	C	*	.	S	Bend	trans	61.8	21.3	-177.5	-52.5	-70.4	0	0	0	114.9	Q187 D188	Q187-H191 PolarHBondContact OE1-ND1 3.4Å; D188-H191 PolarHBondContact O-N 3.1Å; D188-H191 PolarHBondContact OD1-N 2.85Å; D188-H191 VanDerWaalsContact OD1-N 3.16Å
192	K	92.6	Very high	91.6	Very high	93 Å²	93	26.3 Å²	26.3	40%	0.404	12%	0.118	S	C	.	.			trans	-84.4	122.5	173.1	-176.4	177.7	173.1	-170.6	0	110	Q187 D188 R190 Y194	Q187-K192 WeakPolarHBondContact CA-O 3.29Å; D188-K192 PolarHBondContact N-O 3.25Å; D188-K192 WeakPolarHBondContact OD1-CB 3.38Å; D188-K192 PolarHBondContact OD1-N 3Å; R190-K192 PolarHBondContact O-N 3.42Å; K192-Y194 HydrophobicContact CB-CE2 4.1Å; K192-Y194 HydrophobicContact CD-CE2 3.81Å; K192-Y194 HydrophobicContact CG-CD2 4.41Å; K192-Y194 HydrophobicContact CG-CE2 3.8Å; K192-Y194 PolarHBondContact NZ-OH 2.94Å; K192-Y194 VanDerWaalsContact O-CD2 3.3Å; K192-Y194 WeakPolarHBondContact O-CD2 3.44Å
193	S	93.3	Very high	91.7	Very high	16 Å²	16	26.5 Å²	26.5	11%	0.112	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.9	174.9	-53.4	0	0	0	0	112.7	Y114 M186	Y114-S193 WeakPolarHBondContact OH-CB 3.49Å; Y114-S193 PolarHBondContact OH-OG 2.8Å; M186-S193 CarbonylContact O-C 3.54Å; M186-S193 WeakPolarHBondContact O-CA 3.45Å
194	Y	94.1	Very high	92	Very high	19 Å²	19	26.6 Å²	26.6	8%	0.075	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.2	172.6	-74.1	-93.3	0	0	0	109.5	M118 L124 M186 D188 K192 V429 T433	M118-Y194 VanDerWaalsContact CE-C 3.49Å; L124-Y194 HydrophobicContact CD2-CD1 4.34Å; L124-Y194 HydrophobicContact CD2-CE1 4.04Å; L124-Y194 WeakPolarHBondContact O-CD1 3.36Å; M186-Y194 PolarHBondContact N-O 2.92Å; M186-Y194 PolarHBondContact O-N 3.36Å; D188-Y194 HydrophobicContact CB-CD2 4.46Å; D188-Y194 HydrophobicContact CB-CE2 4.2Å; K192-Y194 HydrophobicContact CB-CE2 4.1Å; K192-Y194 HydrophobicContact CD-CE2 3.81Å; K192-Y194 HydrophobicContact CG-CD2 4.41Å; K192-Y194 HydrophobicContact CG-CE2 3.8Å; K192-Y194 PolarHBondContact NZ-OH 2.94Å; K192-Y194 VanDerWaalsContact O-CD2 3.3Å; K192-Y194 WeakPolarHBondContact O-CD2 3.44Å; Y194-V429 HydrophobicContact CD2-CG1 4.14Å; Y194-T433 HydrophobicContact CD1-CG2 3.64Å; Y194-T433 HydrophobicContact CD2-CG2 3.77Å; Y194-T433 HydrophobicContact CE1-CG2 3.72Å; Y194-T433 HydrophobicContact CE2-CG2 3.88Å; Y194-T433 HydrophobicContact CG-CG2 3.66Å
195	L	91.7	Very high	92.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.3	173.7	-170.7	78.1	0	0	0	109.3	M115 M118 M119 L124 I125 R126 T183 V185	M115-L195 HydrophobicContact CG-CD1 3.71Å; M118-L195 HydrophobicContact CB-CB 4.35Å; M118-L195 HydrophobicContact CE-CB 4.23Å; M119-L195 HydrophobicContact CB-CD2 4.37Å; M119-L195 HydrophobicContact CE-CD1 4.39Å; M119-L195 HydrophobicContact CE-CD2 4.2Å; M119-L195 HydrophobicContact CG-CD2 3.42Å; M119-L195 VanDerWaalsContact CG-CD2 3.42Å; L124-L195 PolarHBondContact O-N 2.76Å; I125-L195 CarbonylContact C-O 3.53Å; I125-L195 WeakPolarHBondContact CA-O 3.42Å; I125-L195 HydrophobicContact CD1-CD2 4.24Å; I125-L195 HydrophobicContact CG1-CB 4.34Å; I125-L195 HydrophobicContact CG1-CD2 4Å; I125-L195 HydrophobicContact CG2-CD2 4.41Å; R126-L195 PolarHBondContact N-O 2.96Å; T183-L195 HydrophobicContact CG2-CD1 3.71Å; T183-L195 HydrophobicContact CG2-CD2 4.34Å; T183-L195 HydrophobicContact CG2-CG 4.08Å; V185-L195 HydrophobicContact CG2-CD1 3.96Å
196	M	92.1	Very high	92	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.8	-178.2	-68.4	-63.9	178.1	0	0	109.9	R126 T183 L184 M186 I198 V429 V432 T433	R126-M196 HydrophobicContact CB-CE 4.42Å; R126-M196 HydrophobicContact CB-SD 3.73Å; R126-M196 HydrophobicContact CG-CE 4.43Å; R126-M196 HydrophobicContact CG-SD 4.37Å; T183-M196 WeakPolarHBondContact CA-O 3.22Å; L184-M196 PolarHBondContact N-O 3.37Å; L184-M196 PolarHBondContact O-N 3.4Å; M186-M196 HydrophobicContact CB-CG 4.21Å; M186-M196 HydrophobicContact CG-CG 4.36Å; M186-M196 HydrophobicContact SD-CG 4.38Å; M196-I198 HydrophobicContact CB-CD1 4.16Å; M196-I198 HydrophobicContact CB-CG1 4Å; M196-I198 PolarHBondContact O-N 3.29Å; M196-V429 HydrophobicContact CE-CB 4.14Å; M196-V429 HydrophobicContact CE-CG1 3.69Å; M196-V429 HydrophobicContact CE-CG2 4.16Å; M196-V432 HydrophobicContact CE-CB 4.24Å; M196-V432 HydrophobicContact CE-CG1 3.85Å; M196-V432 HydrophobicContact SD-CG1 3.87Å; M196-T433 HydrophobicContact CE-CG2 3.93Å
197	N	91	Very high	92.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.011	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	83.4	173.8	-73.1	-23.9	0	0	0	108.8	I125 R126 N127 V128 T183 K547	I125-N197 WeakPolarHBondContact CG2-ND2 3.46Å; R126-N197 PolarHBondContact O-N 2.98Å; N127-N197 VanDerWaalsContact OD1-CB 3.23Å; N127-N197 WeakPolarHBondContact OD1-CB 3.32Å; N127-N197 PolarHBondContact OD1-ND2 3.01Å; V128-N197 PolarHBondContact N-O 3.41Å; T183-N197 WeakPolarHBondContact CB-OD1 3.41Å; T183-N197 WeakPolarHBondContact CG2-OD1 3.18Å; T183-N197 PolarHBondContact OG1-OD1 3.02Å; N197-K547 HydrophobicContact CB-CD 3.91Å; N197-K547 HydrophobicContact CB-CG 4.36Å; N197-K547 PolarHBondContact O-NZ 2.85Å
198	I	93.3	Very high	92.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.4	-174.5	-55.5	178.3	0	0	0	109.5	V128 L130 L145 P181 V182 M196 F428	V128-I198 CarbonylContact O-C 3.6Å; V128-I198 VanDerWaalsContact O-CA 3.31Å; V128-I198 WeakPolarHBondContact O-CA 3.39Å; L130-I198 HydrophobicContact CD1-CG2 3.7Å; L130-I198 HydrophobicContact CD2-CG2 4.09Å; L130-I198 HydrophobicContact CG-CG2 3.61Å; L145-I198 HydrophobicContact CD1-CD1 3.43Å; L145-I198 VanDerWaalsContact CD1-CD1 3.43Å; P181-I198 CarbonylContact C-O 3.56Å; P181-I198 WeakPolarHBondContact CA-O 3.46Å; V182-I198 PolarHBondContact N-O 2.78Å; V182-I198 PolarHBondContact O-N 2.72Å; M196-I198 HydrophobicContact CB-CD1 4.16Å; M196-I198 HydrophobicContact CB-CG1 4Å; M196-I198 PolarHBondContact O-N 3.29Å; I198-F428 HydrophobicContact CD1-CE1 3.85Å; I198-F428 HydrophobicContact CD1-CZ 3.97Å; I198-F428 HydrophobicContact CG1-CZ 4.4Å
199	F	91.7	Very high	92.1	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.4	158.7	-79.5	-87.8	0	0	0	109.3	V128 L130 M180 P181 T201 A214 L217 C218 F491 K547	V128-F199 PolarHBondContact O-N 3.22Å; L130-F199 PolarHBondContact N-O 3.18Å; M180-F199 WeakPolarHBondContact O-CA 3.35Å; P181-F199 HydrophobicContact CB-CD1 3.84Å; P181-F199 HydrophobicContact CB-CE1 3.76Å; P181-F199 HydrophobicContact CB-CG 4.48Å; P181-F199 HydrophobicContact CB-CZ 4.36Å; P181-F199 HydrophobicContact CG-CD1 4.44Å; P181-F199 HydrophobicContact CG-CE1 4.12Å; F199-T201 HydrophobicContact CB-CG2 4.01Å; F199-A214 HydrophobicContact CB-CB 4.17Å; F199-A214 HydrophobicContact CD1-CB 4.12Å; F199-A214 HydrophobicContact CD2-CB 4.19Å; F199-A214 HydrophobicContact CE1-CB 4.46Å; F199-A214 HydrophobicContact CE2-CB 4.49Å; F199-A214 HydrophobicContact CG-CB 3.96Å; F199-L217 HydrophobicContact CE2-CB 4.06Å; F199-L217 HydrophobicContact CE2-CD1 4.4Å; F199-L217 HydrophobicContact CZ-CB 4.34Å; F199-L217 HydrophobicContact CZ-CD1 3.86Å; F199-C218 WeakPolarHBondContact CD2-SG 3.2Å; F199-F491 HydrophobicContact CE1-CD1 4.35Å; F199-F491 AromaticContact CE1-CE1 3.96Å; F199-F491 HydrophobicContact CE1-CE1 3.96Å; F199-F491 HydrophobicContact CE2-CE1 4.33Å; F199-F491 HydrophobicContact CZ-CD1 4.02Å; F199-F491 AromaticContact CZ-CE1 3.44Å; F199-F491 HydrophobicContact CZ-CE1 3.44Å; F199-F491 VanDerWaalsContact CZ-CE1 3.44Å; F199-F491 HydrophobicContact CZ-CZ 4.28Å; F199-K547 HydrophobicContact CE2-CD 3.9Å; F199-K547 HydrophobicContact CZ-CD 4.4Å
200	D	94.1	Very high	92.4	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129.6	155.7	-162.1	16.4	0	0	0	107.4	K138 T139 V142 T164 S179 M180	K138-D200 WeakPolarHBondContact CB-OD1 3.24Å; T139-D200 WeakPolarHBondContact CA-OD2 3.4Å; T139-D200 VanDerWaalsContact CB-OD2 3.3Å; T139-D200 WeakPolarHBondContact CB-OD2 3.32Å; T139-D200 PolarHBondContact N-OD1 2.58Å; T139-D200 PolarHBondContact OG1-OD2 3.08Å; V142-D200 HydrophobicContact CG2-CB 4.15Å; T164-D200 HydrophobicContact CG2-CB 3.97Å; T164-D200 PolarHBondContact OG1-OD2 2.91Å; S179-D200 CarbonylContact C-O 3.43Å; S179-D200 WeakPolarHBondContact CA-O 3.24Å; M180-D200 PolarHBondContact N-O 3.04Å; M180-D200 PolarHBondContact O-N 2.78Å
201	T	94.5	Very high	92.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.066	C	C	.	.			trans	-120.5	145.9	-178	70.2	0	0	0	0	110	A129 L130 A131 K138 F199 V211 A214	A129-T201 HydrophobicContact CB-CG2 4.31Å; L130-T201 WeakPolarHBondContact O-CB 3.39Å; L130-T201 PolarHBondContact O-N 3.48Å; L130-T201 PolarHBondContact O-OG1 3.05Å; A131-T201 WeakPolarHBondContact CA-OG1 3.2Å; K138-T201 WeakPolarHBondContact CE-O 3.49Å; F199-T201 HydrophobicContact CB-CG2 4.01Å; T201-V211 HydrophobicContact CG2-CG1 4.32Å; T201-A214 HydrophobicContact CG2-CB 3.66Å
202	P	94.5	Very high	92.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.			trans	-63.8	144.2	-175.2	27.2	-36.8	0	0	0	111.6	S176 F207 E210 V211	S176-P202 WeakPolarHBondContact O-CB 3.47Å; P202-F207 HydrophobicContact CB-CB 3.78Å; P202-F207 HydrophobicContact CB-CD2 4.42Å; P202-F207 HydrophobicContact CB-CG 4.46Å; P202-F207 HydrophobicContact CG-CB 3.55Å; P202-F207 WeakPolarHBondContact CG-O 3.26Å; P202-E210 HydrophobicContact CG-CB 3.52Å; P202-E210 HydrophobicContact CG-CG 4Å; P202-V211 HydrophobicContact CG-CG2 4.19Å
203	G	91.4	Very high	92.8	Very high	5 Å²	5	3.3 Å²	3.3	5%	0.052	2%	0.019	C	C	.	.			trans	-89	-17.2	-179.4	0	0	0	0	0	115.3	G132 H133 L134 N234	G132-G203 WeakPolarHBondContact O-CA 3.39Å; H133-G203 CarbonylContact C-O 3.54Å; L134-G203 PolarHBondContact N-O 2.93Å; G203-N234 PolarHBondContact O-ND2 2.93Å
204	H	94.5	Very high	92.7	Very high	7 Å²	7	2.5 Å²	2.5	3%	0.032	1%	0.014	C	C	.	.	S	Bend	trans	-77.1	138.5	-177.5	-161.3	-82.6	0	0	0	110.8	L134 V175 N206 F207 L653 L916	L134-H204 HydrophobicContact CD1-CB 4.17Å; V175-H204 HydrophobicContact CG1-CB 4.17Å; H204-N206 VanDerWaalsContact C-N 3.28Å; H204-N206 VanDerWaalsContact CE1-CG 3.42Å; H204-N206 PolarHBondContact CE1-ND2 2.86Å; H204-N206 PolarHBondContact ND1-N 3.04Å; H204-N206 PolarHBondContact O-N 3.48Å; H204-F207 HydrophobicContact CB-CD2 3.87Å; H204-F207 HydrophobicContact CB-CE2 4.37Å; H204-F207 PolarHBondContact O-N 3.42Å; H204-F207 VanDerWaalsContact O-N 3.15Å; H204-L653 HydrophobicContact CB-CD2 4.49Å; H204-L916 VanDerWaalsContact NE2-CD2 3.26Å; H204-L916 WeakPolarHBondContact NE2-CD2 3.32Å
205	V	92.6	Very high	92.7	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.011	C	C	.	.	G	3₁₀ helix	trans	-65.8	-32.5	-171.9	-161.7	0	0	0	0	112.4	F207 S208 L233 N234 L916 V918	V205-F207 PolarHBondContact O-N 3.29Å; V205-S208 VanDerWaalsContact O-CB 3.23Å; V205-S208 WeakPolarHBondContact O-CB 3.25Å; V205-S208 PolarHBondContact O-N 2.79Å; V205-S208 VanDerWaalsContact O-N 3.1Å; V205-S208 PolarHBondContact O-OG 2.8Å; V205-L233 HydrophobicContact CG2-CD2 4.29Å; V205-L233 HydrophobicContact CG2-CG 4.46Å; V205-N234 HydrophobicContact CG2-CB 4.02Å; V205-L916 HydrophobicContact CG2-CB 4.05Å; V205-L916 HydrophobicContact CG2-CD1 4.04Å; V205-L916 HydrophobicContact CG2-CD2 4.42Å; V205-L916 HydrophobicContact CG2-CG 4.41Å; V205-V918 HydrophobicContact CB-CB 4.46Å; V205-V918 HydrophobicContact CG1-CB 3.68Å; V205-V918 HydrophobicContact CG1-CG1 4.35Å; V205-V918 HydrophobicContact CG1-CG2 3.53Å
206	N	92.2	Very high	92.6	Very high	5 Å²	5	1.9 Å²	1.9	3%	0.027	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-59.6	-32	176.6	-58.1	5.9	0	0	0	113.3	H204 S208 T650 G651 Y654 S917	H204-N206 VanDerWaalsContact C-N 3.28Å; H204-N206 VanDerWaalsContact CE1-CG 3.42Å; H204-N206 PolarHBondContact CE1-ND2 2.86Å; H204-N206 PolarHBondContact ND1-N 3.04Å; H204-N206 PolarHBondContact O-N 3.48Å; N206-S208 VanDerWaalsContact C-N 3.3Å; N206-S208 PolarHBondContact O-N 3.28Å; N206-T650 WeakPolarHBondContact CA-OG1 3.26Å; N206-T650 WeakPolarHBondContact CB-OG1 3.3Å; N206-T650 PolarHBondContact O-OG1 2.9Å; N206-G651 WeakPolarHBondContact ND2-CA 3.49Å; N206-Y654 VanDerWaalsContact O-CD2 3.29Å; N206-Y654 WeakPolarHBondContact O-CD2 3.42Å; N206-S917 PolarHBondContact OD1-O 3.16Å
207	F	94.1	Very high	92.4	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.012	C	C	.	.	G	3₁₀ helix	trans	-94.1	29.7	177.1	-54.5	-60.5	0	0	0	112.1	I177 P202 H204 V205 D209 E210 Y632 L653 Y654 C657	I177-F207 HydrophobicContact CB-CE2 4.41Å; I177-F207 HydrophobicContact CB-CZ 4.4Å; I177-F207 HydrophobicContact CG1-CE2 4.02Å; I177-F207 HydrophobicContact CG1-CZ 4.07Å; I177-F207 HydrophobicContact CG2-CD1 4.19Å; I177-F207 HydrophobicContact CG2-CE1 3.8Å; I177-F207 HydrophobicContact CG2-CE2 4.37Å; I177-F207 HydrophobicContact CG2-CZ 3.93Å; P202-F207 HydrophobicContact CB-CB 3.78Å; P202-F207 HydrophobicContact CB-CD2 4.42Å; P202-F207 HydrophobicContact CB-CG 4.46Å; P202-F207 HydrophobicContact CG-CB 3.55Å; P202-F207 WeakPolarHBondContact CG-O 3.26Å; H204-F207 HydrophobicContact CB-CD2 3.87Å; H204-F207 HydrophobicContact CB-CE2 4.37Å; H204-F207 PolarHBondContact O-N 3.42Å; H204-F207 VanDerWaalsContact O-N 3.15Å; V205-F207 PolarHBondContact O-N 3.29Å; F207-D209 VanDerWaalsContact CA-OD1 3.27Å; F207-D209 WeakPolarHBondContact CA-OD1 3.45Å; F207-D209 PolarHBondContact O-N 3.37Å; F207-E210 HydrophobicContact CB-CG 4.29Å; F207-E210 WeakPolarHBondContact O-CB 3.47Å; F207-E210 PolarHBondContact O-N 3.28Å; F207-Y632 HydrophobicContact CE1-CE1 4.32Å; F207-L653 HydrophobicContact CE2-CD2 3.9Å; F207-L653 HydrophobicContact CE2-CG 4.23Å; F207-L653 HydrophobicContact CZ-CD2 4.45Å; F207-L653 HydrophobicContact CZ-CG 4.28Å; F207-Y654 AromaticContact CD1-CD2 3.38Å; F207-Y654 HydrophobicContact CD1-CD2 3.38Å; F207-Y654 AromaticContact CD1-CE2 3.83Å; F207-Y654 HydrophobicContact CD1-CE2 3.83Å; F207-Y654 HydrophobicContact CD1-CG 4.42Å; F207-Y654 AromaticContact CE1-CD2 3.47Å; F207-Y654 HydrophobicContact CE1-CD2 3.47Å; F207-Y654 VanDerWaalsContact CE1-CD2 3.47Å; F207-Y654 HydrophobicContact CE1-CE2 4.22Å; F207-Y654 HydrophobicContact CE1-CG 4.1Å; F207-Y654 HydrophobicContact CG-CD2 4.45Å; F207-C657 HydrophobicContact CZ-CB 4.28Å
208	S	92.1	Very high	92.4	Very high	3 Å²	3	1.8 Å²	1.8	2%	0.021	1%	0.011	C	C	.	.	H	α-helix	trans	-69.6	-15.3	179.1	46.4	0	0	0	0	113.6	V205 N206 V211 S212 T602	V205-S208 VanDerWaalsContact O-CB 3.23Å; V205-S208 WeakPolarHBondContact O-CB 3.25Å; V205-S208 PolarHBondContact O-N 2.79Å; V205-S208 VanDerWaalsContact O-N 3.1Å; V205-S208 PolarHBondContact O-OG 2.8Å; N206-S208 VanDerWaalsContact C-N 3.3Å; N206-S208 PolarHBondContact O-N 3.28Å; S208-V211 PolarHBondContact O-N 3.21Å; S208-S212 PolarHBondContact O-N 3.07Å; S208-S212 PolarHBondContact O-OG 2.81Å; S208-T602 WeakPolarHBondContact OG-CG2 3.44Å
209	D	92.4	Very high	92.4	Very high	0 Å²	0	1.8 Å²	1.8	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-65.8	-43.5	172.1	60.9	-31.5	0	0	0	113.2	F207 V211 S212 A213 F600 P633 L634 Y654	F207-D209 VanDerWaalsContact CA-OD1 3.27Å; F207-D209 WeakPolarHBondContact CA-OD1 3.45Å; F207-D209 PolarHBondContact O-N 3.37Å; D209-V211 PolarHBondContact O-N 3.36Å; D209-S212 WeakPolarHBondContact O-CB 3.18Å; D209-S212 PolarHBondContact O-N 3.22Å; D209-S212 VanDerWaalsContact O-N 3.15Å; D209-A213 PolarHBondContact O-N 3.14Å; D209-F600 HydrophobicContact CB-CD1 3.77Å; D209-F600 HydrophobicContact CB-CE1 3.7Å; D209-P633 HydrophobicContact CB-CB 4.4Å; D209-P633 WeakPolarHBondContact OD2-CD 3.46Å; D209-L634 HydrophobicContact CB-CB 3.42Å; D209-L634 VanDerWaalsContact CB-CB 3.42Å; D209-L634 HydrophobicContact CB-CD2 4.03Å; D209-L634 HydrophobicContact CB-CG 4.39Å; D209-L634 PolarHBondContact OD2-N 2.95Å; D209-Y654 WeakPolarHBondContact OD2-CE2 3.46Å; D209-Y654 PolarHBondContact OD2-OH 3.07Å
210	E	92.3	Very high	92.4	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.011	C	C	.	.	H	α-helix	trans	-56.1	-38.6	170.4	-64.8	-80.1	170.4	0	0	111.6	I177 K178 S179 P202 F207 A213 A214 K478	I177-E210 WeakPolarHBondContact O-CG 3.44Å; K178-E210 WeakPolarHBondContact CD-OE1 3.32Å; K178-E210 IonicContact NZ-OE1 2.81Å; S179-E210 PolarHBondContact N-OE2 3.44Å; S179-E210 PolarHBondContact OG-OE2 3.02Å; P202-E210 HydrophobicContact CG-CB 3.52Å; P202-E210 HydrophobicContact CG-CG 4Å; F207-E210 HydrophobicContact CB-CG 4.29Å; F207-E210 WeakPolarHBondContact O-CB 3.47Å; F207-E210 PolarHBondContact O-N 3.28Å; E210-A213 PolarHBondContact O-N 2.96Å; E210-A214 WeakPolarHBondContact O-CB 3.48Å; E210-A214 PolarHBondContact O-N 3.45Å; E210-K478 IonicContact OE1-NZ 3.16Å; E210-K478 PolarHBondContact OE1-NZ 3.3Å; E210-K478 WeakPolarHBondContact OE2-CE 3.24Å; E210-K478 IonicContact OE2-NZ 2.73Å; E210-K478 PolarHBondContact OE2-NZ 3.48Å
211	V	94.1	Very high	92.5	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-72.5	-37.7	179	-161.9	0	0	0	0	110.9	A131 T201 P202 S208 D209 A214 F215 L238 M241	A131-V211 HydrophobicContact CB-CG1 4.01Å; T201-V211 HydrophobicContact CG2-CG1 4.32Å; P202-V211 HydrophobicContact CG-CG2 4.19Å; S208-V211 PolarHBondContact O-N 3.21Å; D209-V211 PolarHBondContact O-N 3.36Å; V211-A214 PolarHBondContact O-N 2.8Å; V211-F215 HydrophobicContact CG1-CD1 3.85Å; V211-F215 HydrophobicContact CG1-CE1 3.46Å; V211-F215 VanDerWaalsContact CG1-CE1 3.46Å; V211-F215 HydrophobicContact CG1-CZ 3.92Å; V211-F215 WeakPolarHBondContact O-CB 3.48Å; V211-F215 WeakPolarHBondContact O-CD1 2.93Å; V211-F215 WeakPolarHBondContact O-CG 3.43Å; V211-F215 PolarHBondContact O-N 2.87Å; V211-L238 HydrophobicContact CB-CD2 4.14Å; V211-L238 HydrophobicContact CG1-CD2 3.51Å; V211-L238 HydrophobicContact CG2-CD2 4.44Å; V211-M241 HydrophobicContact CB-CE 3.91Å; V211-M241 HydrophobicContact CG1-CE 3.77Å
212	S	92.4	Very high	92.6	Very high	6 Å²	6	1.6 Å²	1.6	4%	0.042	1%	0.01	C	C	.	.	H	α-helix	trans	-60.1	-46.2	170.9	-56.2	0	0	0	0	111.8	S208 D209 A214 F215 R216 M241	S208-S212 PolarHBondContact O-N 3.07Å; S208-S212 PolarHBondContact O-OG 2.81Å; D209-S212 WeakPolarHBondContact O-CB 3.18Å; D209-S212 PolarHBondContact O-N 3.22Å; D209-S212 VanDerWaalsContact O-N 3.15Å; S212-A214 VanDerWaalsContact C-N 3.35Å; S212-A214 PolarHBondContact O-N 3.06Å; S212-F215 PolarHBondContact O-N 3.13Å; S212-R216 PolarHBondContact O-N 2.61Å; S212-M241 PolarHBondContact OG-SD 3.39Å
213	A	90.5	Very high	92.7	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.008	1%	0.01	C	C	.	.	H	α-helix	trans	-61.3	-40.1	178	0	0	0	0	0	112.8	D209 E210 T477 L598 P633	D209-A213 PolarHBondContact O-N 3.14Å; E210-A213 PolarHBondContact O-N 2.96Å; A213-T477 PolarHBondContact O-OG1 3.38Å; A213-L598 HydrophobicContact CB-CD1 3.84Å; A213-P633 HydrophobicContact CB-CG 4.24Å
214	A	91.4	Very high	93	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-70.8	-39.5	175.2	0	0	0	0	0	112.9	F199 T201 E210 V211 S212 R216 L217 C218	F199-A214 HydrophobicContact CB-CB 4.17Å; F199-A214 HydrophobicContact CD1-CB 4.12Å; F199-A214 HydrophobicContact CD2-CB 4.19Å; F199-A214 HydrophobicContact CE1-CB 4.46Å; F199-A214 HydrophobicContact CE2-CB 4.49Å; F199-A214 HydrophobicContact CG-CB 3.96Å; T201-A214 HydrophobicContact CG2-CB 3.66Å; E210-A214 WeakPolarHBondContact O-CB 3.48Å; E210-A214 PolarHBondContact O-N 3.45Å; V211-A214 PolarHBondContact O-N 2.8Å; S212-A214 VanDerWaalsContact C-N 3.35Å; S212-A214 PolarHBondContact O-N 3.06Å; A214-R216 VanDerWaalsContact C-N 3.33Å; A214-R216 PolarHBondContact O-N 2.92Å; A214-L217 PolarHBondContact O-N 3.09Å; A214-C218 PolarHBondContact O-N 3.39Å; A214-C218 PolarHBondContact O-SG 3.31Å
215	F	93	Very high	93.1	Very high	1 Å²	1	1 Å²	1	0%	0.004	1%	0.006	C	C	.	.	H	α-helix	trans	-61.5	-39.8	177.5	-87.4	28.8	0	0	0	111.8	A129 A131 V211 S212 L217 C218 V221 L238 M241 A242 I247 K446	A129-F215 HydrophobicContact CB-CD1 3.87Å; A129-F215 HydrophobicContact CB-CE1 3.93Å; A131-F215 HydrophobicContact CB-CE1 3.74Å; A131-F215 HydrophobicContact CB-CZ 3.92Å; V211-F215 HydrophobicContact CG1-CD1 3.85Å; V211-F215 HydrophobicContact CG1-CE1 3.46Å; V211-F215 VanDerWaalsContact CG1-CE1 3.46Å; V211-F215 HydrophobicContact CG1-CZ 3.92Å; V211-F215 WeakPolarHBondContact O-CB 3.48Å; V211-F215 WeakPolarHBondContact O-CD1 2.93Å; V211-F215 WeakPolarHBondContact O-CG 3.43Å; V211-F215 PolarHBondContact O-N 2.87Å; S212-F215 PolarHBondContact O-N 3.13Å; F215-L217 VanDerWaalsContact C-N 3.28Å; F215-L217 PolarHBondContact O-N 3.5Å; F215-C218 PolarHBondContact O-N 3.1Å; F215-C218 VanDerWaalsContact O-N 3.16Å; F215-V221 HydrophobicContact CE1-CB 4.22Å; F215-V221 HydrophobicContact CE1-CG2 3.63Å; F215-V221 HydrophobicContact CZ-CB 4.23Å; F215-V221 HydrophobicContact CZ-CG2 3.63Å; F215-L238 HydrophobicContact CZ-CD2 4.14Å; F215-M241 HydrophobicContact CD1-CE 4.35Å; F215-M241 HydrophobicContact CD2-CE 3.42Å; F215-M241 VanDerWaalsContact CD2-CE 3.42Å; F215-M241 HydrophobicContact CD2-CG 4.05Å; F215-M241 HydrophobicContact CD2-SD 4.5Å; F215-M241 HydrophobicContact CE1-CE 4.38Å; F215-M241 HydrophobicContact CE2-CB 4.31Å; F215-M241 HydrophobicContact CE2-CE 3.42Å; F215-M241 VanDerWaalsContact CE2-CE 3.42Å; F215-M241 HydrophobicContact CE2-CG 4.25Å; F215-M241 HydrophobicContact CG-CE 3.9Å; F215-M241 HydrophobicContact CZ-CE 3.92Å; F215-A242 HydrophobicContact CD2-CB 4.48Å; F215-A242 HydrophobicContact CE2-CB 3.79Å; F215-I247 HydrophobicContact CB-CD1 3.55Å; F215-I247 HydrophobicContact CD2-CD1 3.79Å; F215-I247 HydrophobicContact CG-CD1 3.79Å; F215-I247 VanDerWaalsContact O-CD1 3.28Å; F215-I247 WeakPolarHBondContact O-CD1 3.26Å; F215-K446 PolarHBondContact O-NZ 3.31Å
216	R	89.8	Confident	93.3	Very high	5 Å²	5	1 Å²	1	2%	0.019	1%	0.006	C	C	.	.	H	α-helix	trans	-58.6	-38.9	177.3	-173.8	58.6	59	82.5	-10.9	112.5	S212 A214 E245 K446 N450 T477 R596 P597 L598	S212-R216 PolarHBondContact O-N 2.61Å; A214-R216 VanDerWaalsContact C-N 3.33Å; A214-R216 PolarHBondContact O-N 2.92Å; R216-E245 IonicContact CZ-OE1 3.21Å; R216-E245 IonicContact CZ-OE2 2.89Å; R216-E245 IonicContact NE-OE1 2.89Å; R216-E245 PolarHBondContact NE-OE1 3.18Å; R216-E245 IonicContact NE-OE2 2.72Å; R216-E245 PolarHBondContact NE-OE2 3.4Å; R216-E245 IonicContact NH2-OE1 3.3Å; R216-E245 PolarHBondContact NH2-OE1 3.46Å; R216-E245 IonicContact NH2-OE2 2.7Å; R216-K446 WeakPolarHBondContact O-CE 3.25Å; R216-K446 PolarHBondContact O-NZ 3.18Å; R216-N450 WeakPolarHBondContact CD-OD1 3.22Å; R216-N450 PolarHBondContact NE-OD1 2.82Å; R216-T477 HydrophobicContact CB-CG2 4.1Å; R216-T477 HydrophobicContact CG-CG2 3.93Å; R216-R596 PolarHBondContact NH1-O 3.3Å; R216-P597 PolarHBondContact NH1-O 2.97Å; R216-P597 PolarHBondContact NH2-O 2.85Å; R216-L598 HydrophobicContact CB-CD2 3.63Å; R216-L598 HydrophobicContact CG-CD2 3.87Å
217	L	88.3	Confident	93.4	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-81.8	-14.2	178.9	-63.2	-179.5	0	0	0	114.6	F199 A214 F215 T477 F491 R493	F199-L217 HydrophobicContact CE2-CB 4.06Å; F199-L217 HydrophobicContact CE2-CD1 4.4Å; F199-L217 HydrophobicContact CZ-CB 4.34Å; F199-L217 HydrophobicContact CZ-CD1 3.86Å; A214-L217 PolarHBondContact O-N 3.09Å; F215-L217 VanDerWaalsContact C-N 3.28Å; F215-L217 PolarHBondContact O-N 3.5Å; L217-T477 HydrophobicContact CD1-CG2 4.39Å; L217-T477 WeakPolarHBondContact CD1-OG1 3.22Å; L217-T477 HydrophobicContact CD2-CG2 3.81Å; L217-T477 HydrophobicContact CG-CG2 3.87Å; L217-T477 WeakPolarHBondContact CG-OG1 3.32Å; L217-F491 HydrophobicContact CD1-CD1 3.83Å; L217-F491 HydrophobicContact CD1-CE1 4Å; L217-R493 HydrophobicContact CD2-CB 3.8Å; L217-R493 WeakPolarHBondContact O-CD 3.18Å; L217-R493 PolarHBondContact O-NH1 2.91Å; L217-R493 VanDerWaalsContact O-NH1 3.14Å
218	C	91.9	Very high	93.3	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.007	C	C	.	.			trans	-97.7	154	-175.4	-67.1	0	0	0	0	114.5	A129 F199 A214 F215 K446 K547	A129-C218 HydrophobicContact CB-CB 4.37Å; F199-C218 WeakPolarHBondContact CD2-SG 3.2Å; A214-C218 PolarHBondContact O-N 3.39Å; A214-C218 PolarHBondContact O-SG 3.31Å; F215-C218 PolarHBondContact O-N 3.1Å; F215-C218 VanDerWaalsContact O-N 3.16Å; C218-K446 PolarHBondContact O-NZ 2.82Å; C218-K547 PolarHBondContact SG-NZ 3.3Å
219	D	91.9	Very high	93.3	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	S	Bend	trans	-95.6	-23.1	174.9	-59.8	-57.2	0	0	0	111.7	N127 A248 V436 N442 R493	N127-D219 WeakPolarHBondContact CB-OD2 3.3Å; N127-D219 PolarHBondContact ND2-OD2 2.85Å; N127-D219 PolarHBondContact O-N 3.15Å; D219-A248 PolarHBondContact O-N 2.88Å; D219-V436 HydrophobicContact CB-CG1 4.19Å; D219-N442 WeakPolarHBondContact CA-ND2 3.38Å; D219-N442 HydrophobicContact CB-CB 4.34Å; D219-N442 WeakPolarHBondContact CB-ND2 3.16Å; D219-N442 PolarHBondContact OD1-ND2 2.84Å; D219-R493 IonicContact OD1-CZ 3.24Å; D219-R493 IonicContact OD1-NH1 2.72Å; D219-R493 PolarHBondContact OD1-NH1 3.43Å; D219-R493 IonicContact OD1-NH2 2.88Å; D219-R493 PolarHBondContact OD1-NH2 2.68Å; D219-R493 IonicContact OD2-CZ 2.75Å; D219-R493 IonicContact OD2-NH1 2.74Å; D219-R493 PolarHBondContact OD2-NH1 2.95Å; D219-R493 IonicContact OD2-NH2 3.82Å; D219-R493 PolarHBondContact OD2-NH2 3Å
220	G	93.5	Very high	93.3	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.5	175.2	0	0	0	0	0	113.8	N127 V128 A129 I247 A248	N127-G220 PolarHBondContact O-N 2.77Å; N127-G220 VanDerWaalsContact O-N 3.16Å; V128-G220 WeakPolarHBondContact CA-O 3.27Å; A129-G220 PolarHBondContact N-O 3.03Å; G220-I247 VanDerWaalsContact CA-CG2 3.46Å; G220-A248 CarbonylContact C-O 3.59Å; G220-A248 WeakPolarHBondContact CA-O 3.2Å
221	V	95.6	Very high	93.4	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	174.3	62.1	0	0	0	0	110.3	A129 A131 F215 I223 A242 I247 A248 I249 T250	A129-V221 HydrophobicContact CB-CG2 4.4Å; A129-V221 CarbonylContact O-C 3.6Å; A129-V221 VanDerWaalsContact O-CA 3.31Å; A129-V221 WeakPolarHBondContact O-CA 3.22Å; A129-V221 WeakPolarHBondContact O-CG2 3.5Å; A131-V221 HydrophobicContact CB-CG2 3.82Å; F215-V221 HydrophobicContact CE1-CB 4.22Å; F215-V221 HydrophobicContact CE1-CG2 3.63Å; F215-V221 HydrophobicContact CZ-CB 4.23Å; F215-V221 HydrophobicContact CZ-CG2 3.63Å; V221-I223 HydrophobicContact CG1-CD1 4.42Å; V221-I223 HydrophobicContact CG1-CG1 4.44Å; V221-I223 HydrophobicContact CG2-CD1 3.89Å; V221-I223 HydrophobicContact CG2-CG1 4.36Å; V221-A242 HydrophobicContact CG1-CB 3.91Å; V221-I247 HydrophobicContact CB-CG2 4.21Å; V221-I247 HydrophobicContact CG1-CG2 4.05Å; V221-A248 PolarHBondContact N-O 3.09Å; V221-I249 HydrophobicContact CG1-CB 4.25Å; V221-I249 HydrophobicContact CG1-CG1 4.07Å; V221-I249 HydrophobicContact CG1-CG2 4.11Å; V221-T250 PolarHBondContact O-N 2.86Å; V221-T250 PolarHBondContact O-OG1 3.32Å
222	M	96.1	Very high	93.4	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.4	164.1	-174.9	165.5	-77	0	0	109	V128 A129 L130 A131 F224 T250 C252 F428 V431 V432	V128-M222 HydrophobicContact CG1-CB 4.45Å; A129-M222 PolarHBondContact O-N 3.47Å; L130-M222 HydrophobicContact CD2-CB 4.04Å; A131-M222 PolarHBondContact N-O 2.8Å; A131-M222 VanDerWaalsContact O-O 3.12Å; M222-F224 HydrophobicContact CB-CE2 4.18Å; M222-F224 HydrophobicContact CG-CD2 4.31Å; M222-F224 HydrophobicContact CG-CE2 3.78Å; M222-F224 HydrophobicContact CG-CZ 4.38Å; M222-F224 WeakPolarHBondContact O-CD2 3.31Å; M222-F224 HydrophobicContact SD-CE2 4.16Å; M222-F224 HydrophobicContact SD-CZ 4.2Å; M222-T250 WeakPolarHBondContact CA-O 3.45Å; M222-T250 WeakPolarHBondContact CA-OG1 3.43Å; M222-C252 HydrophobicContact CG-CB 3.85Å; M222-C252 HydrophobicContact SD-CB 3.83Å; M222-F428 HydrophobicContact CE-CD2 3.67Å; M222-F428 HydrophobicContact CE-CE2 3.94Å; M222-F428 HydrophobicContact SD-CD2 3.6Å; M222-F428 HydrophobicContact SD-CE2 3.74Å; M222-V431 HydrophobicContact CE-CB 4.25Å; M222-V431 HydrophobicContact CE-CG1 3.71Å; M222-V432 HydrophobicContact CE-CG2 4.16Å
223	I	96.8	Very high	93.3	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.1	178.9	-60.4	-70.5	0	0	0	109	A131 V221 V225 T235 L238 L239 I249 T250 L251 C252	A131-I223 HydrophobicContact CB-CD1 4.46Å; A131-I223 CarbonylContact O-C 3.57Å; A131-I223 VanDerWaalsContact O-CA 3.29Å; A131-I223 WeakPolarHBondContact O-CA 3.5Å; V221-I223 HydrophobicContact CG1-CD1 4.42Å; V221-I223 HydrophobicContact CG1-CG1 4.44Å; V221-I223 HydrophobicContact CG2-CD1 3.89Å; V221-I223 HydrophobicContact CG2-CG1 4.36Å; I223-V225 HydrophobicContact CG2-CG2 4.08Å; I223-T235 HydrophobicContact CG2-CG2 3.88Å; I223-L238 HydrophobicContact CD1-CB 4Å; I223-L239 HydrophobicContact CG1-CD2 4.06Å; I223-I249 HydrophobicContact CG1-CG2 3.81Å; I223-T250 PolarHBondContact N-O 3.01Å; I223-L251 HydrophobicContact CB-CD1 4.11Å; I223-L251 HydrophobicContact CG2-CD1 4.09Å; I223-C252 PolarHBondContact O-N 3.34Å
224	F	97.3	Very high	93.5	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.1	177.7	-78.3	-104.6	0	0	0	110.9	L130 A131 H136 K138 F141 M222 C252 N254	L130-F224 HydrophobicContact CB-CD2 4.32Å; L130-F224 HydrophobicContact CB-CE2 3.8Å; L130-F224 HydrophobicContact CD1-CE2 4.29Å; L130-F224 HydrophobicContact CD1-CZ 4.38Å; L130-F224 HydrophobicContact CD2-CE2 3.95Å; L130-F224 HydrophobicContact CD2-CZ 4.47Å; L130-F224 HydrophobicContact CG-CE2 4.2Å; A131-F224 PolarHBondContact O-N 3.24Å; H136-F224 HydrophobicContact CB-CB 4.2Å; H136-F224 PolarHBondContact ND1-O 3.28Å; K138-F224 HydrophobicContact CD-CB 4.43Å; K138-F224 HydrophobicContact CD-CD2 4.43Å; K138-F224 HydrophobicContact CG-CB 3.91Å; K138-F224 HydrophobicContact CG-CD1 4.41Å; K138-F224 HydrophobicContact CG-CD2 4.01Å; K138-F224 HydrophobicContact CG-CG 3.84Å; F141-F224 HydrophobicContact CB-CE1 3.77Å; F141-F224 HydrophobicContact CB-CZ 4.07Å; F141-F224 HydrophobicContact CD1-CE1 4.16Å; F141-F224 AromaticContact CD1-CZ 3.72Å; F141-F224 HydrophobicContact CD1-CZ 3.72Å; F141-F224 AromaticContact CD2-CE1 3.81Å; F141-F224 HydrophobicContact CD2-CE1 3.81Å; F141-F224 HydrophobicContact CD2-CZ 4.15Å; F141-F224 HydrophobicContact CE1-CZ 4.13Å; F141-F224 HydrophobicContact CE2-CE1 4.41Å; F141-F224 AromaticContact CG-CE1 3.66Å; F141-F224 HydrophobicContact CG-CE1 3.66Å; F141-F224 AromaticContact CG-CZ 3.72Å; F141-F224 HydrophobicContact CG-CZ 3.72Å; M222-F224 HydrophobicContact CB-CE2 4.18Å; M222-F224 HydrophobicContact CG-CD2 4.31Å; M222-F224 HydrophobicContact CG-CE2 3.78Å; M222-F224 HydrophobicContact CG-CZ 4.38Å; M222-F224 WeakPolarHBondContact O-CD2 3.31Å; M222-F224 HydrophobicContact SD-CE2 4.16Å; M222-F224 HydrophobicContact SD-CZ 4.2Å; F224-C252 WeakPolarHBondContact CA-O 3.36Å; F224-C252 HydrophobicContact CD1-CB 3.98Å; F224-C252 HydrophobicContact CD2-CB 4.37Å; F224-C252 HydrophobicContact CE1-CB 3.91Å; F224-C252 HydrophobicContact CE2-CB 4.3Å; F224-C252 HydrophobicContact CG-CB 4.21Å; F224-C252 HydrophobicContact CZ-CB 4.07Å; F224-N254 HydrophobicContact CD1-CB 3.97Å
225	V	96.9	Very high	93.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.7	177.7	-171.3	0	0	0	0	108.7	H136 I223 A227 G230 V231 T235 L251 C252 I253 N254 V277	H136-V225 WeakPolarHBondContact ND1-CA 3.5Å; I223-V225 HydrophobicContact CG2-CG2 4.08Å; V225-A227 PolarHBondContact O-N 2.75Å; V225-G230 VanDerWaalsContact CG1-C 3.48Å; V225-G230 VanDerWaalsContact CG1-O 3.23Å; V225-G230 WeakPolarHBondContact CG1-O 3.45Å; V225-V231 HydrophobicContact CG1-CG2 4.5Å; V225-T235 HydrophobicContact CG2-CG2 3.92Å; V225-L251 HydrophobicContact CG2-CD1 3.66Å; V225-C252 PolarHBondContact N-O 3.02Å; V225-I253 CarbonylContact O-C 3.57Å; V225-I253 WeakPolarHBondContact O-CA 3.33Å; V225-N254 PolarHBondContact O-N 3.1Å; V225-V277 HydrophobicContact CB-CG1 4.33Å; V225-V277 HydrophobicContact CG1-CG1 3.58Å
226	D	95.8	Very high	93.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.8	174.1	-175.4	-31.9	0	0	0	109.4	H136 H228 E229 G230 K255 R258	H136-D226 VanDerWaalsContact CD2-CB 3.49Å; H136-D226 WeakPolarHBondContact CD2-CB 3.36Å; H136-D226 PolarHBondContact CE1-N 3.01Å; H136-D226 PolarHBondContact ND1-N 3.12Å; D226-H228 PolarHBondContact O-N 3.14Å; D226-H228 WeakPolarHBondContact OD1-CB 3.29Å; D226-H228 PolarHBondContact OD1-N 3.11Å; D226-E229 HydrophobicContact CB-CB 4.21Å; D226-G230 WeakPolarHBondContact O-CA 3.41Å; D226-G230 PolarHBondContact O-N 2.95Å; D226-K255 HydrophobicContact CB-CD 4.14Å; D226-K255 WeakPolarHBondContact OD2-CD 3.34Å; D226-K255 WeakPolarHBondContact OD2-CE 3.49Å; D226-K255 IonicContact OD2-NZ 2.76Å; D226-K255 PolarHBondContact OD2-NZ 2.88Å; D226-R258 IonicContact OD1-NH1 3.43Å; D226-R258 IonicContact OD2-CZ 2.79Å; D226-R258 IonicContact OD2-NH1 3.56Å; D226-R258 PolarHBondContact OD2-NH1 3.03Å
227	A	94.9	Very high	93.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.8	-179.5	0	0	0	0	0	113.5	V225 I253 N254 I256 L259 K273	V225-A227 PolarHBondContact O-N 2.75Å; A227-I253 HydrophobicContact CB-CG2 3.85Å; A227-N254 WeakPolarHBondContact CB-O 3.42Å; A227-N254 PolarHBondContact N-O 2.84Å; A227-I256 HydrophobicContact CB-CG2 4.23Å; A227-L259 HydrophobicContact CB-CD1 3.98Å; A227-L259 HydrophobicContact CB-CD2 4.31Å; A227-L259 HydrophobicContact CB-CG 4Å; A227-K273 WeakPolarHBondContact O-CE 3.44Å; A227-K273 WeakPolarHBondContact O-CG 3.37Å
228	H	92.7	Very high	94	Very high	10 Å²	10	8.3 Å²	8.3	5%	0.046	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-58.8	177.4	174.2	-144.7	0	0	0	111.9	D226 R258 K273 S884	D226-H228 PolarHBondContact O-N 3.14Å; D226-H228 WeakPolarHBondContact OD1-CB 3.29Å; D226-H228 PolarHBondContact OD1-N 3.11Å; H228-R258 HydrophobicContact CB-CB 4.1Å; H228-R258 VanDerWaalsContact ND1-CZ 3.28Å; H228-R258 PolarHBondContact ND1-NH2 3.13Å; H228-K273 WeakPolarHBondContact O-CE 3.24Å; H228-K273 PolarHBondContact O-NZ 3.4Å; H228-S884 WeakPolarHBondContact NE2-CB 3.16Å; H228-S884 PolarHBondContact NE2-OG 2.86Å
229	E	91.7	Very high	94	Very high	37 Å²	37	8.4 Å²	8.4	17%	0.173	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-46.5	-177.1	-75.7	153.3	-139.5	0	0	110.4	H136 D226 M232 R258 I881	H136-E229 IonicContact CD2-OE2 2.75Å; H136-E229 IonicContact NE2-OE2 2.62Å; D226-E229 HydrophobicContact CB-CB 4.21Å; E229-M232 HydrophobicContact CB-CE 4.05Å; E229-M232 HydrophobicContact CB-CG 4.4Å; E229-M232 WeakPolarHBondContact O-CE 3.3Å; E229-R258 IonicContact OE1-CZ 3.21Å; E229-R258 IonicContact OE1-NH1 2.69Å; E229-R258 PolarHBondContact OE1-NH1 2.91Å; E229-R258 IonicContact OE1-NH2 2.9Å; E229-I881 VanDerWaalsContact O-CG2 3.25Å; E229-I881 WeakPolarHBondContact O-CG2 3.22Å
230	G	93.1	Very high	93.9	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.021	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	86.4	-145.6	-176.6	0	0	0	0	0	112	V225 D226	V225-G230 VanDerWaalsContact CG1-C 3.48Å; V225-G230 VanDerWaalsContact CG1-O 3.23Å; V225-G230 WeakPolarHBondContact CG1-O 3.45Å; D226-G230 WeakPolarHBondContact O-CA 3.41Å; D226-G230 PolarHBondContact O-N 2.95Å
231	V	93.5	Very high	93.8	Very high	26 Å²	26	12.8 Å²	12.8	16%	0.158	6%	0.06	C	C	.	.	S	Bend	trans	-81.5	128.7	-177.8	-169.9	0	0	0	0	110.3	V225 T235 E236 D280 V281 L284	V225-V231 HydrophobicContact CG1-CG2 4.5Å; V231-T235 HydrophobicContact CG1-CG2 3.87Å; V231-E236 HydrophobicContact CG1-CG 4.14Å; V231-D280 HydrophobicContact CG2-CB 4.07Å; V231-V281 HydrophobicContact CG2-CG2 3.62Å; V231-L284 HydrophobicContact CB-CD1 4.32Å; V231-L284 HydrophobicContact CG1-CD1 3.48Å; V231-L284 VanDerWaalsContact CG1-CD1 3.48Å
232	M	93.4	Very high	93.6	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.015	6%	0.06	C	C	.	.			trans	-131.6	167.2	-173.9	-64.4	-69	135.9	0	0	110	H133 E229 N234 T235 E236 E853 T855 I881	H133-M232 HydrophobicContact CB-CB 4.47Å; H133-M232 WeakPolarHBondContact CD2-CB 3.42Å; E229-M232 HydrophobicContact CB-CE 4.05Å; E229-M232 HydrophobicContact CB-CG 4.4Å; E229-M232 WeakPolarHBondContact O-CE 3.3Å; M232-N234 PolarHBondContact O-N 2.76Å; M232-T235 WeakPolarHBondContact O-CA 3.43Å; M232-T235 VanDerWaalsContact O-CB 3.23Å; M232-T235 WeakPolarHBondContact O-CB 3.4Å; M232-T235 PolarHBondContact O-N 2.7Å; M232-E236 PolarHBondContact O-N 3.11Å; M232-E853 WeakPolarHBondContact CA-OE1 3.42Å; M232-T855 HydrophobicContact SD-CG2 3.9Å; M232-I881 HydrophobicContact CE-CD1 3.59Å; M232-I881 HydrophobicContact CE-CG1 4.23Å
233	L	91.6	Very high	93.2	Very high	7 Å²	7	14 Å²	14	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-39.3	-57.6	-175.4	171.6	54.5	0	0	0	114.6	V205 T235 E236 R237 F851 E853 L916 V918	V205-L233 HydrophobicContact CG2-CD2 4.29Å; V205-L233 HydrophobicContact CG2-CG 4.46Å; L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 PolarHBondContact O-N 2.77Å; L233-E236 PolarHBondContact O-N 3.1Å; L233-R237 HydrophobicContact CD1-CG 4.12Å; L233-R237 WeakPolarHBondContact O-CG 3.46Å; L233-R237 PolarHBondContact O-N 3.47Å; L233-R237 VanDerWaalsContact O-N 3.1Å; L233-F851 HydrophobicContact CD1-CD1 3.65Å; L233-F851 HydrophobicContact CD1-CE1 3.67Å; L233-F851 HydrophobicContact CD2-CD1 3.95Å; L233-F851 HydrophobicContact CD2-CE1 4.17Å; L233-F851 HydrophobicContact CG-CD1 4.41Å; L233-F851 HydrophobicContact CG-CE1 4.37Å; L233-E853 HydrophobicContact CB-CB 3.93Å; L233-E853 HydrophobicContact CB-CG 4.39Å; L233-E853 HydrophobicContact CD2-CB 3.97Å; L233-E853 PolarHBondContact N-OE1 2.84Å; L233-E853 PolarHBondContact N-OE2 3.02Å; L233-L916 HydrophobicContact CD2-CB 4.28Å; L233-V918 HydrophobicContact CD1-CG1 4.15Å; L233-V918 HydrophobicContact CD2-CG1 3.99Å; L233-V918 HydrophobicContact CG-CG1 4.5Å
234	N	93.6	Very high	92.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-30.2	-177.6	-152.5	14.3	0	0	0	112.2	H133 G203 V205 M232 R237 L238	H133-N234 HydrophobicContact CB-CB 4.42Å; G203-N234 PolarHBondContact O-ND2 2.93Å; V205-N234 HydrophobicContact CG2-CB 4.02Å; M232-N234 PolarHBondContact O-N 2.76Å; N234-R237 PolarHBondContact O-N 3.21Å; N234-L238 VanDerWaalsContact O-CB 3.27Å; N234-L238 WeakPolarHBondContact O-CB 3.45Å; N234-L238 WeakPolarHBondContact O-CD1 3.5Å; N234-L238 WeakPolarHBondContact O-CG 3.34Å; N234-L238 PolarHBondContact O-N 3.2Å
235	T	94	Very high	92	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.5	-44.4	176.1	-54.1	0	0	0	0	111	I223 V225 V231 M232 L233 R237 L238 L239	I223-T235 HydrophobicContact CG2-CG2 3.88Å; V225-T235 HydrophobicContact CG2-CG2 3.92Å; V231-T235 HydrophobicContact CG1-CG2 3.87Å; M232-T235 WeakPolarHBondContact O-CA 3.43Å; M232-T235 VanDerWaalsContact O-CB 3.23Å; M232-T235 WeakPolarHBondContact O-CB 3.4Å; M232-T235 PolarHBondContact O-N 2.7Å; L233-T235 VanDerWaalsContact C-N 3.26Å; L233-T235 PolarHBondContact O-N 2.77Å; T235-R237 VanDerWaalsContact C-N 3.33Å; T235-R237 PolarHBondContact O-N 3.42Å; T235-L238 PolarHBondContact O-N 2.67Å; T235-L239 HydrophobicContact CG2-CD1 4.3Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.48Å; T235-L239 PolarHBondContact O-N 2.76Å
236	E	92.4	Very high	91.6	Very high	55 Å²	55	22.7 Å²	22.7	26%	0.257	12%	0.115	S	C	.	.	H	α-helix	trans	-57.7	-46.7	173.5	-60.7	179.8	-173.8	0	0	110.9	V231 M232 L233 L239 K240 L284 K890	V231-E236 HydrophobicContact CG1-CG 4.14Å; M232-E236 PolarHBondContact O-N 3.11Å; L233-E236 PolarHBondContact O-N 3.1Å; E236-L239 PolarHBondContact O-N 3Å; E236-K240 PolarHBondContact O-N 2.95Å; E236-L284 HydrophobicContact CG-CD1 4Å; E236-L284 HydrophobicContact CG-CD2 4.13Å; E236-K890 IonicContact OE1-NZ 2.7Å; E236-K890 PolarHBondContact OE1-NZ 2.81Å; E236-K890 IonicContact OE2-NZ 3.68Å
237	R	92.2	Very high	91.3	Very high	32 Å²	32	23.1 Å²	23.1	12%	0.121	12%	0.117	C	C	.	.	H	α-helix	trans	-65.4	-41.1	-179.3	-71.4	176.3	57.6	73.6	4.4	113.2	L233 N234 T235 K240 M241 N601	L233-R237 HydrophobicContact CD1-CG 4.12Å; L233-R237 WeakPolarHBondContact O-CG 3.46Å; L233-R237 PolarHBondContact O-N 3.47Å; L233-R237 VanDerWaalsContact O-N 3.1Å; N234-R237 PolarHBondContact O-N 3.21Å; T235-R237 VanDerWaalsContact C-N 3.33Å; T235-R237 PolarHBondContact O-N 3.42Å; R237-K240 PolarHBondContact O-N 3.47Å; R237-M241 WeakPolarHBondContact O-CB 3.37Å; R237-M241 PolarHBondContact O-N 3.05Å; R237-N601 PolarHBondContact NH1-O 3.16Å; R237-N601 VanDerWaalsContact NH2-C 3.29Å; R237-N601 PolarHBondContact NH2-O 2.97Å; R237-N601 PolarHBondContact O-ND2 3.4Å
238	L	94.3	Very high	91.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-70.3	-35.9	178.6	-71.1	168.9	0	0	0	112.1	A131 G132 V211 F215 I223 N234 T235 M241 A242	A131-L238 HydrophobicContact CB-CD1 4.06Å; A131-L238 HydrophobicContact CB-CD2 4.3Å; G132-L238 VanDerWaalsContact CA-CD1 3.48Å; V211-L238 HydrophobicContact CB-CD2 4.14Å; V211-L238 HydrophobicContact CG1-CD2 3.51Å; V211-L238 HydrophobicContact CG2-CD2 4.44Å; F215-L238 HydrophobicContact CZ-CD2 4.14Å; I223-L238 HydrophobicContact CD1-CB 4Å; N234-L238 VanDerWaalsContact O-CB 3.27Å; N234-L238 WeakPolarHBondContact O-CB 3.45Å; N234-L238 WeakPolarHBondContact O-CD1 3.5Å; N234-L238 WeakPolarHBondContact O-CG 3.34Å; N234-L238 PolarHBondContact O-N 3.2Å; T235-L238 PolarHBondContact O-N 2.67Å; L238-M241 HydrophobicContact CD2-CE 3.84Å; L238-M241 PolarHBondContact O-N 2.88Å; L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.33Å; L238-A242 PolarHBondContact O-N 2.55Å
239	L	93	Very high	91.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-46.7	170.7	-72.3	168.6	0	0	0	110.9	I223 T235 E236 M241 A242 L243 I249 V281 V285 L288	I223-L239 HydrophobicContact CG1-CD2 4.06Å; T235-L239 HydrophobicContact CG2-CD1 4.3Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.48Å; T235-L239 PolarHBondContact O-N 2.76Å; E236-L239 PolarHBondContact O-N 3Å; L239-M241 VanDerWaalsContact C-N 3.35Å; L239-M241 PolarHBondContact O-N 3.13Å; L239-A242 PolarHBondContact O-N 2.56Å; L239-L243 WeakPolarHBondContact O-CB 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 3.39Å; L239-I249 HydrophobicContact CD2-CD1 4.35Å; L239-I249 HydrophobicContact CD2-CG2 4.12Å; L239-V281 HydrophobicContact CD1-CG1 4.21Å; L239-V285 HydrophobicContact CD1-CG2 4.28Å; L239-V285 HydrophobicContact CD2-CG2 4.07Å; L239-L288 HydrophobicContact CB-CD1 4.19Å
240	K	90.1	Very high	91.4	Very high	82 Å²	82	22.9 Å²	22.9	36%	0.357	12%	0.121	S	C	.	.	H	α-helix	trans	-54.9	-50.4	173.8	-176.1	-178.6	177.3	-171.2	0	111	E236 R237 A242 L243 T244 L288	E236-K240 PolarHBondContact O-N 2.95Å; R237-K240 PolarHBondContact O-N 3.47Å; K240-A242 PolarHBondContact O-N 3.3Å; K240-L243 PolarHBondContact O-N 2.97Å; K240-T244 PolarHBondContact O-N 3.12Å; K240-T244 PolarHBondContact O-OG1 3.41Å; K240-T244 VanDerWaalsContact O-OG1 3.09Å; K240-L288 HydrophobicContact CB-CD1 4.17Å; K240-L288 HydrophobicContact CB-CD2 4.04Å; K240-L288 HydrophobicContact CD-CD2 4.45Å; K240-L288 HydrophobicContact CG-CD2 4.12Å
241	M	90.1	Very high	91.5	Very high	11 Å²	11	22.8 Å²	22.8	5%	0.054	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-43.4	-178.9	-169.6	168.6	78.8	0	0	113.1	V211 S212 F215 R237 L238 L239 L243 T244 E245 N601	V211-M241 HydrophobicContact CB-CE 3.91Å; V211-M241 HydrophobicContact CG1-CE 3.77Å; S212-M241 PolarHBondContact OG-SD 3.39Å; F215-M241 HydrophobicContact CD1-CE 4.35Å; F215-M241 HydrophobicContact CD2-CE 3.42Å; F215-M241 VanDerWaalsContact CD2-CE 3.42Å; F215-M241 HydrophobicContact CD2-CG 4.05Å; F215-M241 HydrophobicContact CD2-SD 4.5Å; F215-M241 HydrophobicContact CE1-CE 4.38Å; F215-M241 HydrophobicContact CE2-CB 4.31Å; F215-M241 HydrophobicContact CE2-CE 3.42Å; F215-M241 VanDerWaalsContact CE2-CE 3.42Å; F215-M241 HydrophobicContact CE2-CG 4.25Å; F215-M241 HydrophobicContact CG-CE 3.9Å; F215-M241 HydrophobicContact CZ-CE 3.92Å; R237-M241 WeakPolarHBondContact O-CB 3.37Å; R237-M241 PolarHBondContact O-N 3.05Å; L238-M241 HydrophobicContact CD2-CE 3.84Å; L238-M241 PolarHBondContact O-N 2.88Å; L239-M241 VanDerWaalsContact C-N 3.35Å; L239-M241 PolarHBondContact O-N 3.13Å; M241-L243 VanDerWaalsContact C-N 3.34Å; M241-L243 PolarHBondContact O-N 2.93Å; M241-T244 PolarHBondContact O-N 2.75Å; M241-E245 PolarHBondContact O-N 2.92Å; M241-N601 HydrophobicContact SD-CB 4.07Å
242	A	91.4	Very high	91.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-36.6	177.9	0	0	0	0	0	112.5	F215 V221 L238 L239 K240 N246 I247 I249	F215-A242 HydrophobicContact CD2-CB 4.48Å; F215-A242 HydrophobicContact CE2-CB 3.79Å; V221-A242 HydrophobicContact CG1-CB 3.91Å; L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.33Å; L238-A242 PolarHBondContact O-N 2.55Å; L239-A242 PolarHBondContact O-N 2.56Å; K240-A242 PolarHBondContact O-N 3.3Å; A242-N246 PolarHBondContact O-N 3.11Å; A242-I247 PolarHBondContact O-N 3.29Å; A242-I249 HydrophobicContact CB-CD1 3.68Å; A242-I249 HydrophobicContact CB-CG1 3.93Å
243	L	88.4	Confident	91.8	Very high	26 Å²	26	21.4 Å²	21.4	14%	0.136	11%	0.112	C	C	.	.	H	α-helix	trans	-69.4	-40	175.1	-68.2	169.7	0	0	0	111.8	L239 K240 M241 N246 I249 V285 L288 K289 P296	L239-L243 WeakPolarHBondContact O-CB 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 3.39Å; K240-L243 PolarHBondContact O-N 2.97Å; M241-L243 VanDerWaalsContact C-N 3.34Å; M241-L243 PolarHBondContact O-N 2.93Å; L243-N246 PolarHBondContact O-N 3.04Å; L243-I249 HydrophobicContact CD2-CD1 3.76Å; L243-I249 HydrophobicContact CG-CD1 3.91Å; L243-V285 HydrophobicContact CD1-CG1 4.44Å; L243-L288 HydrophobicContact CD1-CB 3.73Å; L243-L288 HydrophobicContact CD1-CD1 4.07Å; L243-K289 HydrophobicContact CD2-CD 3.99Å; L243-K289 HydrophobicContact CD2-CG 4.2Å; L243-P296 HydrophobicContact CD2-CG 4.25Å
244	T	84	Confident	92	Very high	80 Å²	80	21.1 Å²	21.1	49%	0.491	11%	0.11	S	C	.	.	H	α-helix	trans	-67.5	-40.9	176.5	-58.5	0	0	0	0	112.6	K240 M241 N246	K240-T244 PolarHBondContact O-N 3.12Å; K240-T244 PolarHBondContact O-OG1 3.41Å; K240-T244 VanDerWaalsContact O-OG1 3.09Å; M241-T244 PolarHBondContact O-N 2.75Å; T244-N246 PolarHBondContact O-N 3.46Å
245	E	85.9	Confident	92.1	Very high	19 Å²	19	23 Å²	23	9%	0.089	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	4.4	174.9	-75.6	-84.9	146.5	0	0	113.5	R216 M241 I247	R216-E245 IonicContact CZ-OE1 3.21Å; R216-E245 IonicContact CZ-OE2 2.89Å; R216-E245 IonicContact NE-OE1 2.89Å; R216-E245 PolarHBondContact NE-OE1 3.18Å; R216-E245 IonicContact NE-OE2 2.72Å; R216-E245 PolarHBondContact NE-OE2 3.4Å; R216-E245 IonicContact NH2-OE1 3.3Å; R216-E245 PolarHBondContact NH2-OE1 3.46Å; R216-E245 IonicContact NH2-OE2 2.7Å; M241-E245 PolarHBondContact O-N 2.92Å; E245-I247 VanDerWaalsContact C-N 3.3Å; E245-I247 HydrophobicContact CB-CD1 3.74Å; E245-I247 HydrophobicContact CB-CG1 3.87Å; E245-I247 PolarHBondContact O-N 3.45Å
246	N	87.4	Confident	92.2	Very high	82 Å²	82	23.4 Å²	23.4	44%	0.439	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	42.1	-178.8	-164.2	30.3	0	0	0	114.1	A242 L243 T244	A242-N246 PolarHBondContact O-N 3.11Å; L243-N246 PolarHBondContact O-N 3.04Å; T244-N246 PolarHBondContact O-N 3.46Å
247	I	89.6	Confident	92.2	Very high	10 Å²	10	21.3 Å²	21.3	5%	0.051	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-90.5	142.2	-177.4	-63.8	175.7	0	0	0	110.2	F215 G220 V221 A242 E245 I249	F215-I247 HydrophobicContact CB-CD1 3.55Å; F215-I247 HydrophobicContact CD2-CD1 3.79Å; F215-I247 HydrophobicContact CG-CD1 3.79Å; F215-I247 VanDerWaalsContact O-CD1 3.28Å; F215-I247 WeakPolarHBondContact O-CD1 3.26Å; G220-I247 VanDerWaalsContact CA-CG2 3.46Å; V221-I247 HydrophobicContact CB-CG2 4.21Å; V221-I247 HydrophobicContact CG1-CG2 4.05Å; A242-I247 PolarHBondContact O-N 3.29Å; E245-I247 VanDerWaalsContact C-N 3.3Å; E245-I247 HydrophobicContact CB-CD1 3.74Å; E245-I247 HydrophobicContact CB-CG1 3.87Å; E245-I247 PolarHBondContact O-N 3.45Å; I247-I249 WeakPolarHBondContact O-CG1 3.39Å; I247-I249 PolarHBondContact O-N 3.08Å
248	A	92.1	Very high	92.3	Very high	26 Å²	26	21.5 Å²	21.5	22%	0.215	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.8	175.2	0	0	0	0	0	111.2	D219 G220 V221 P437	D219-A248 PolarHBondContact O-N 2.88Å; G220-A248 CarbonylContact C-O 3.59Å; G220-A248 WeakPolarHBondContact CA-O 3.2Å; V221-A248 PolarHBondContact N-O 3.09Å; A248-P437 HydrophobicContact CB-CG 4.46Å
249	I	94	Very high	92.3	Very high	15 Å²	15	21.5 Å²	21.5	8%	0.077	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131	-173.6	-46.9	-178.1	0	0	0	110.7	V221 I223 L239 A242 L243 I247 F298	V221-I249 HydrophobicContact CG1-CB 4.25Å; V221-I249 HydrophobicContact CG1-CG1 4.07Å; V221-I249 HydrophobicContact CG1-CG2 4.11Å; I223-I249 HydrophobicContact CG1-CG2 3.81Å; L239-I249 HydrophobicContact CD2-CD1 4.35Å; L239-I249 HydrophobicContact CD2-CG2 4.12Å; A242-I249 HydrophobicContact CB-CD1 3.68Å; A242-I249 HydrophobicContact CB-CG1 3.93Å; L243-I249 HydrophobicContact CD2-CD1 3.76Å; L243-I249 HydrophobicContact CG-CD1 3.91Å; I247-I249 WeakPolarHBondContact O-CG1 3.39Å; I247-I249 PolarHBondContact O-N 3.08Å; I249-F298 HydrophobicContact CB-CE1 4.12Å; I249-F298 HydrophobicContact CB-CZ 3.78Å; I249-F298 HydrophobicContact CG2-CE1 3.76Å; I249-F298 HydrophobicContact CG2-CZ 3.55Å
250	T	94.9	Very high	92.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	159.6	169.3	58.6	0	0	0	0	109.8	V221 M222 I223 V431 H435 V436	V221-T250 PolarHBondContact O-N 2.86Å; V221-T250 PolarHBondContact O-OG1 3.32Å; M222-T250 WeakPolarHBondContact CA-O 3.45Å; M222-T250 WeakPolarHBondContact CA-OG1 3.43Å; I223-T250 PolarHBondContact N-O 3.01Å; T250-V431 HydrophobicContact CG2-CG1 3.8Å; T250-H435 HydrophobicContact CG2-CB 3.65Å; T250-V436 HydrophobicContact CG2-CG2 4.32Å
251	L	95.8	Very high	92.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.3	-173.4	-171.4	73.2	0	0	0	111.6	I223 V225 I253 L278 V281 F298 N304 V305 C306	I223-L251 HydrophobicContact CB-CD1 4.11Å; I223-L251 HydrophobicContact CG2-CD1 4.09Å; V225-L251 HydrophobicContact CG2-CD1 3.66Å; L251-I253 HydrophobicContact CD2-CG1 4.31Å; L251-L278 HydrophobicContact CD2-CD2 3.49Å; L251-L278 VanDerWaalsContact CD2-CD2 3.49Å; L251-V281 HydrophobicContact CD1-CG1 4.38Å; L251-V281 HydrophobicContact CD1-CG2 4.31Å; L251-V281 HydrophobicContact CD2-CG1 4.44Å; L251-V281 HydrophobicContact CD2-CG2 4.47Å; L251-F298 HydrophobicContact CB-CD1 3.89Å; L251-F298 HydrophobicContact CB-CE1 4.39Å; L251-N304 PolarHBondContact N-O 2.98Å; L251-V305 HydrophobicContact CB-CG2 4.29Å; L251-V305 HydrophobicContact CD2-CG1 4.36Å; L251-V305 HydrophobicContact CD2-CG2 4.32Å; L251-V305 CarbonylContact O-C 3.59Å; L251-V305 VanDerWaalsContact O-CA 3.3Å; L251-V305 WeakPolarHBondContact O-CA 3.48Å; L251-C306 PolarHBondContact O-N 2.92Å
252	C	96.5	Very high	92.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.4	169.9	-173.5	0	0	0	0	109.7	M222 I223 F224 V225 N254 C306 A308	M222-C252 HydrophobicContact CG-CB 3.85Å; M222-C252 HydrophobicContact SD-CB 3.83Å; I223-C252 PolarHBondContact O-N 3.34Å; F224-C252 WeakPolarHBondContact CA-O 3.36Å; F224-C252 HydrophobicContact CD1-CB 3.98Å; F224-C252 HydrophobicContact CD2-CB 4.37Å; F224-C252 HydrophobicContact CE1-CB 3.91Å; F224-C252 HydrophobicContact CE2-CB 4.3Å; F224-C252 HydrophobicContact CG-CB 4.21Å; F224-C252 HydrophobicContact CZ-CB 4.07Å; V225-C252 PolarHBondContact N-O 3.02Å; C252-N254 PolarHBondContact O-N 3.49Å; C252-C306 WeakPolarHBondContact CA-O 3.27Å; C252-C306 VanDerWaalsContact SG-SG 3.61Å; C252-A308 VanDerWaalsContact SG-CB 3.59Å
253	I	96.9	Very high	92.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	96.3	169.9	-62.9	172.3	0	0	0	106.7	V225 A227 L251 I256 M274 L278 V305 C306 F307 A308	V225-I253 CarbonylContact O-C 3.57Å; V225-I253 WeakPolarHBondContact O-CA 3.33Å; A227-I253 HydrophobicContact CB-CG2 3.85Å; L251-I253 HydrophobicContact CD2-CG1 4.31Å; I253-I256 HydrophobicContact CG2-CG2 4.23Å; I253-M274 HydrophobicContact CG2-CG 4.23Å; I253-L278 HydrophobicContact CD1-CD1 4.09Å; I253-L278 HydrophobicContact CD1-CD2 4.01Å; I253-L278 HydrophobicContact CD1-CG 3.75Å; I253-V305 HydrophobicContact CD1-CG1 4.17Å; I253-V305 HydrophobicContact CG1-CG1 4.47Å; I253-C306 PolarHBondContact N-O 3Å; I253-F307 HydrophobicContact CB-CD1 4Å; I253-F307 HydrophobicContact CB-CE1 4.42Å; I253-F307 HydrophobicContact CD1-CD1 4.27Å; I253-F307 HydrophobicContact CD1-CE1 3.81Å; I253-F307 HydrophobicContact CG2-CD1 4.28Å; I253-F307 CarbonylContact O-C 3.59Å; I253-F307 WeakPolarHBondContact O-CA 3.28Å; I253-A308 PolarHBondContact O-N 3.19Å
254	N	96.4	Very high	92.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	170.1	-175.5	-162.5	9.4	0	0	0	111	H136 G137 F224 V225 A227 C252 I256 A308 S309 G310	H136-N254 PolarHBondContact O-ND2 3.39Å; G137-N254 WeakPolarHBondContact CA-ND2 3.05Å; G137-N254 PolarHBondContact O-ND2 2.88Å; F224-N254 HydrophobicContact CD1-CB 3.97Å; V225-N254 PolarHBondContact O-N 3.1Å; A227-N254 WeakPolarHBondContact CB-O 3.42Å; A227-N254 PolarHBondContact N-O 2.84Å; C252-N254 PolarHBondContact O-N 3.49Å; N254-I256 VanDerWaalsContact C-N 3.26Å; N254-I256 PolarHBondContact O-N 3.46Å; N254-A308 CarbonylContact C-O 3.48Å; N254-A308 VanDerWaalsContact C-O 3.24Å; N254-A308 VanDerWaalsContact CA-O 3.27Å; N254-A308 WeakPolarHBondContact CA-O 3.42Å; N254-A308 PolarHBondContact OD1-O 3.17Å; N254-S309 WeakPolarHBondContact OD1-CA 3.34Å; N254-G310 PolarHBondContact OD1-N 3.3Å
255	K	95.6	Very high	92.9	Very high	41 Å²	41	31.2 Å²	31.2	18%	0.178	15%	0.153	C	C	.	.			trans	56.5	34.6	178.1	-64.9	169.1	160.3	-171.4	0	114.2	H135 D226 D257 R258 A308	H135-K255 WeakPolarHBondContact O-CE 3.45Å; H135-K255 PolarHBondContact O-NZ 3.44Å; D226-K255 HydrophobicContact CB-CD 4.14Å; D226-K255 WeakPolarHBondContact OD2-CD 3.34Å; D226-K255 WeakPolarHBondContact OD2-CE 3.49Å; D226-K255 IonicContact OD2-NZ 2.76Å; D226-K255 PolarHBondContact OD2-NZ 2.88Å; K255-D257 VanDerWaalsContact C-OD1 3.27Å; K255-D257 VanDerWaalsContact CA-OD1 3.24Å; K255-D257 WeakPolarHBondContact CA-OD1 3.09Å; K255-D257 PolarHBondContact O-N 2.69Å; K255-R258 HydrophobicContact CB-CG 4.01Å; K255-R258 WeakPolarHBondContact O-CB 3.28Å; K255-R258 PolarHBondContact O-N 2.75Å; K255-A308 PolarHBondContact N-O 3.12Å
256	I	95.3	Very high	93.3	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.036	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.9	175.8	64.9	-178.8	0	0	0	112.8	A227 I253 N254 R258 L259 M274 F307 A308 I314 F316 L375	A227-I256 HydrophobicContact CB-CG2 4.23Å; I253-I256 HydrophobicContact CG2-CG2 4.23Å; N254-I256 VanDerWaalsContact C-N 3.26Å; N254-I256 PolarHBondContact O-N 3.46Å; I256-R258 VanDerWaalsContact C-N 3.29Å; I256-R258 PolarHBondContact O-N 2.98Å; I256-L259 WeakPolarHBondContact O-CB 3.47Å; I256-L259 PolarHBondContact O-N 3.21Å; I256-M274 HydrophobicContact CG2-SD 4Å; I256-F307 HydrophobicContact CD1-CB 4.39Å; I256-F307 HydrophobicContact CG2-CB 4.37Å; I256-A308 WeakPolarHBondContact CG1-O 3.4Å; I256-A308 PolarHBondContact N-O 2.97Å; I256-I314 HydrophobicContact CD1-CG2 4.24Å; I256-F316 HydrophobicContact CD1-CE1 3.72Å; I256-F316 HydrophobicContact CD1-CZ 4.1Å; I256-L375 HydrophobicContact CD1-CD1 4.33Å
257	D	93.1	Very high	93.6	Very high	11 Å²	11	31 Å²	31	6%	0.059	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.7	174.1	59.2	-70.8	0	0	0	113.7	K255 L259 I260 L261 S309 Y312 F379	K255-D257 VanDerWaalsContact C-OD1 3.27Å; K255-D257 VanDerWaalsContact CA-OD1 3.24Å; K255-D257 WeakPolarHBondContact CA-OD1 3.09Å; K255-D257 PolarHBondContact O-N 2.69Å; D257-L259 VanDerWaalsContact C-N 3.27Å; D257-L259 PolarHBondContact O-N 2.99Å; D257-I260 WeakPolarHBondContact O-CB 3.45Å; D257-I260 PolarHBondContact O-N 3.13Å; D257-L261 PolarHBondContact O-N 3.13Å; D257-S309 WeakPolarHBondContact OD1-CB 3.44Å; D257-S309 PolarHBondContact OD1-OG 3.12Å; D257-Y312 HydrophobicContact CB-CD2 3.71Å; D257-Y312 HydrophobicContact CB-CE2 3.72Å; D257-Y312 VanDerWaalsContact OD2-CE2 3.32Å; D257-Y312 WeakPolarHBondContact OD2-CE2 3.25Å; D257-F379 HydrophobicContact CB-CE1 4.3Å; D257-F379 HydrophobicContact CB-CZ 4.11Å
258	R	93.9	Very high	93.8	Very high	37 Å²	37	33.2 Å²	33.2	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-34.2	176.1	-63	-176.7	72.3	-174	6.7	111.9	D226 H228 E229 K255 I256 I260 E262 L263	D226-R258 IonicContact OD1-NH1 3.43Å; D226-R258 IonicContact OD2-CZ 2.79Å; D226-R258 IonicContact OD2-NH1 3.56Å; D226-R258 PolarHBondContact OD2-NH1 3.03Å; H228-R258 HydrophobicContact CB-CB 4.1Å; H228-R258 VanDerWaalsContact ND1-CZ 3.28Å; H228-R258 PolarHBondContact ND1-NH2 3.13Å; E229-R258 IonicContact OE1-CZ 3.21Å; E229-R258 IonicContact OE1-NH1 2.69Å; E229-R258 PolarHBondContact OE1-NH1 2.91Å; E229-R258 IonicContact OE1-NH2 2.9Å; K255-R258 HydrophobicContact CB-CG 4.01Å; K255-R258 WeakPolarHBondContact O-CB 3.28Å; K255-R258 PolarHBondContact O-N 2.75Å; I256-R258 VanDerWaalsContact C-N 3.29Å; I256-R258 PolarHBondContact O-N 2.98Å; R258-I260 PolarHBondContact O-N 2.89Å; R258-E262 HydrophobicContact CB-CG 4.46Å; R258-E262 IonicContact CZ-OE2 2.73Å; R258-E262 VanDerWaalsContact CZ-OE2 3.32Å; R258-E262 IonicContact NE-OE1 2.73Å; R258-E262 PolarHBondContact NE-OE1 3.22Å; R258-E262 IonicContact NE-OE2 2.67Å; R258-E262 PolarHBondContact NE-OE2 2.69Å; R258-E262 IonicContact NH2-OE2 3.52Å; R258-E262 PolarHBondContact NH2-OE2 3.07Å; R258-E262 WeakPolarHBondContact O-CB 3.36Å; R258-E262 PolarHBondContact O-N 3.3Å; R258-E262 VanDerWaalsContact O-N 3.1Å; R258-L263 PolarHBondContact O-N 2.72Å
259	L	93.9	Very high	93.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-27.7	174.4	-56.3	-173.3	0	0	0	112.4	A227 I256 D257 L263 K264 L265 A270 K273 M274	A227-L259 HydrophobicContact CB-CD1 3.98Å; A227-L259 HydrophobicContact CB-CD2 4.31Å; A227-L259 HydrophobicContact CB-CG 4Å; I256-L259 WeakPolarHBondContact O-CB 3.47Å; I256-L259 PolarHBondContact O-N 3.21Å; D257-L259 VanDerWaalsContact C-N 3.27Å; D257-L259 PolarHBondContact O-N 2.99Å; L259-L263 HydrophobicContact CD2-CD1 3.95Å; L259-K264 PolarHBondContact O-N 3.27Å; L259-L265 HydrophobicContact CD2-CD1 4.25Å; L259-L265 PolarHBondContact O-N 3.45Å; L259-A270 HydrophobicContact CB-CB 4.24Å; L259-A270 HydrophobicContact CD1-CB 4.01Å; L259-K273 HydrophobicContact CD1-CG 4.48Å; L259-K273 HydrophobicContact CD2-CG 4.02Å; L259-M274 HydrophobicContact CD1-CE 4.49Å; L259-M274 HydrophobicContact CD1-CG 3.92Å; L259-M274 HydrophobicContact CD1-SD 4.36Å
260	I	92.8	Very high	93.9	Very high	18 Å²	18	36.2 Å²	36.2	9%	0.092	18%	0.181	C	C	.	.	H	α-helix	trans	-96	-45.8	-171.9	-44.5	-177.4	0	0	0	111.1	D257 R258 K264 L375 Y376 F379	D257-I260 WeakPolarHBondContact O-CB 3.45Å; D257-I260 PolarHBondContact O-N 3.13Å; R258-I260 PolarHBondContact O-N 2.89Å; I260-K264 WeakPolarHBondContact O-CA 3.33Å; I260-L375 HydrophobicContact CD1-CD2 3.18Å; I260-Y376 HydrophobicContact CB-CE1 4.47Å; I260-Y376 HydrophobicContact CB-CE2 4.48Å; I260-Y376 HydrophobicContact CD1-CD2 4Å; I260-Y376 HydrophobicContact CD1-CE2 3.79Å; I260-Y376 HydrophobicContact CG1-CD2 4.25Å; I260-Y376 HydrophobicContact CG1-CE1 4.43Å; I260-Y376 HydrophobicContact CG1-CE2 3.63Å; I260-Y376 HydrophobicContact CG2-CD1 3.99Å; I260-Y376 HydrophobicContact CG2-CD2 4.38Å; I260-Y376 HydrophobicContact CG2-CE1 3.91Å; I260-Y376 HydrophobicContact CG2-CE2 4.32Å; I260-Y376 HydrophobicContact CG2-CG 4.24Å; I260-F379 HydrophobicContact CD1-CD2 3.77Å; I260-F379 HydrophobicContact CD1-CE2 3.92Å; I260-F379 HydrophobicContact CD1-CG 4.43Å; I260-F379 HydrophobicContact CG2-CB 4.02Å; I260-F379 HydrophobicContact CG2-CG 4.24Å
261	L	90.7	Very high	93.9	Very high	48 Å²	48	36.2 Å²	36.2	25%	0.251	18%	0.181	S	C	.	.	H	α-helix	trans	-97.1	-41.2	-170.3	-61.7	179.9	0	0	0	112.9	D257 K264 Y312 F379 V383 L414	D257-L261 PolarHBondContact O-N 3.13Å; L261-K264 WeakPolarHBondContact O-CE 3.39Å; L261-Y312 HydrophobicContact CD1-CE2 3.82Å; L261-F379 HydrophobicContact CD1-CD1 4.03Å; L261-F379 HydrophobicContact CD1-CE1 3.97Å; L261-F379 HydrophobicContact CD2-CD1 3.97Å; L261-F379 HydrophobicContact CG-CD1 4.14Å; L261-F379 HydrophobicContact CG-CE1 4.43Å; L261-V383 HydrophobicContact CD2-CG2 3.96Å; L261-L414 HydrophobicContact CD1-CD1 4.49Å
262	E	91	Very high	93.8	Very high	111 Å²	111	40.6 Å²	40.6	52%	0.519	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-62.7	-179.8	-62.7	178.5	-166.8	0	0	110.5	R258	R258-E262 HydrophobicContact CB-CG 4.46Å; R258-E262 IonicContact CZ-OE2 2.73Å; R258-E262 VanDerWaalsContact CZ-OE2 3.32Å; R258-E262 IonicContact NE-OE1 2.73Å; R258-E262 PolarHBondContact NE-OE1 3.22Å; R258-E262 IonicContact NE-OE2 2.67Å; R258-E262 PolarHBondContact NE-OE2 2.69Å; R258-E262 IonicContact NH2-OE2 3.52Å; R258-E262 PolarHBondContact NH2-OE2 3.07Å; R258-E262 WeakPolarHBondContact O-CB 3.36Å; R258-E262 PolarHBondContact O-N 3.3Å; R258-E262 VanDerWaalsContact O-N 3.1Å
263	L	91	Very high	93.7	Very high	42 Å²	42	41.2 Å²	41.2	22%	0.22	20%	0.203	C	C	.	.	S	Bend	trans	-76.6	-25.4	-178.4	-68.1	-177.1	0	0	0	114.1	R258 L259 L265 G883	R258-L263 PolarHBondContact O-N 2.72Å; L259-L263 HydrophobicContact CD2-CD1 3.95Å; L263-L265 HydrophobicContact CB-CD2 4.24Å; L263-L265 HydrophobicContact CB-CG 3.84Å; L263-L265 HydrophobicContact CD1-CD1 3.99Å; L263-L265 HydrophobicContact CD1-CG 4.12Å; L263-L265 PolarHBondContact O-N 2.82Å; L263-G883 VanDerWaalsContact CD1-O 3.24Å; L263-G883 WeakPolarHBondContact CD1-O 3.25Å
264	K	92	Very high	93.6	Very high	160 Å²	160	41.3 Å²	41.3	70%	0.696	20%	0.203	S	C	*	.			trans	53.9	36.5	-177.6	-57.5	173.4	-176.6	173.1	0	113.3	L259 I260 L261	L259-K264 PolarHBondContact O-N 3.27Å; I260-K264 WeakPolarHBondContact O-CA 3.33Å; L261-K264 WeakPolarHBondContact O-CE 3.39Å
265	L	93.1	Very high	93.5	Very high	25 Å²	25	44.7 Å²	44.7	13%	0.131	22%	0.216	C	C	.	.			trans	-63.4	141.4	179.1	-64.7	-175.8	0	0	0	110.8	L259 L263 E269 A270 K273 Y376	L259-L265 HydrophobicContact CD2-CD1 4.25Å; L259-L265 PolarHBondContact O-N 3.45Å; L263-L265 HydrophobicContact CB-CD2 4.24Å; L263-L265 HydrophobicContact CB-CG 3.84Å; L263-L265 HydrophobicContact CD1-CD1 3.99Å; L263-L265 HydrophobicContact CD1-CG 4.12Å; L263-L265 PolarHBondContact O-N 2.82Å; L265-E269 HydrophobicContact CB-CB 4.35Å; L265-A270 HydrophobicContact CB-CB 4.31Å; L265-K273 HydrophobicContact CD1-CB 4.47Å; L265-Y376 WeakPolarHBondContact O-CE1 3.44Å; L265-Y376 PolarHBondContact O-OH 2.83Å
266	P	93.9	Very high	93.5	Very high	63 Å²	63	45.4 Å²	45.4	41%	0.409	22%	0.22	S	C	.	.			trans	-53.4	146.3	165.9	-24.6	33.7	0	0	0	111.7	T268 E269 A270	P266-T268 PolarHBondContact O-N 3.33Å; P266-E269 HydrophobicContact CB-CG 4.41Å; P266-E269 WeakPolarHBondContact CD-OE2 3.22Å; P266-E269 HydrophobicContact CG-CG 4.38Å; P266-E269 PolarHBondContact O-N 2.86Å; P266-A270 PolarHBondContact O-N 3Å
267	P	94.2	Very high	93.5	Very high	33 Å²	33	45.1 Å²	45.1	21%	0.214	22%	0.219	C	C	.	.	H	α-helix	trans	-52.1	-33.5	-179.6	-30.8	36.2	0	0	0	114.7	Y271 V368 L372 Y376	P267-Y271 PolarHBondContact O-N 3.09Å; P267-Y271 VanDerWaalsContact O-N 3.13Å; P267-V368 HydrophobicContact CB-CG1 3.77Å; P267-L372 HydrophobicContact CB-CB 4.12Å; P267-L372 WeakPolarHBondContact O-CD1 3.41Å; P267-Y376 HydrophobicContact CG-CD1 3.76Å; P267-Y376 HydrophobicContact CG-CD2 4.24Å; P267-Y376 HydrophobicContact CG-CE1 3.96Å; P267-Y376 HydrophobicContact CG-CE2 4.41Å; P267-Y376 HydrophobicContact CG-CG 3.9Å
268	T	93.3	Very high	93.5	Very high	56 Å²	56	44.8 Å²	44.8	34%	0.344	22%	0.217	S	C	.	.	H	α-helix	trans	-68.8	-38.3	176.5	-51	0	0	0	0	112.6	P266 F272	P266-T268 PolarHBondContact O-N 3.33Å; T268-F272 HydrophobicContact CG2-CD2 4.25Å; T268-F272 HydrophobicContact CG2-CE2 3.78Å; T268-F272 WeakPolarHBondContact O-CD2 3.39Å; T268-F272 PolarHBondContact O-N 3.32Å
269	E	93.2	Very high	93.5	Very high	104 Å²	104	46.3 Å²	46.3	49%	0.486	23%	0.228	S	C	.	.	H	α-helix	trans	-76.8	-38.9	179.2	-66.6	-177.1	-173.8	0	0	111.4	L265 P266 Y271 F272 K273	L265-E269 HydrophobicContact CB-CB 4.35Å; P266-E269 HydrophobicContact CB-CG 4.41Å; P266-E269 WeakPolarHBondContact CD-OE2 3.22Å; P266-E269 HydrophobicContact CG-CG 4.38Å; P266-E269 PolarHBondContact O-N 2.86Å; E269-Y271 VanDerWaalsContact C-N 3.28Å; E269-Y271 PolarHBondContact O-N 3.42Å; E269-F272 CarbonylContact O-C 3.5Å; E269-F272 PolarHBondContact O-N 3.05Å; E269-K273 PolarHBondContact O-N 2.9Å
270	A	94.4	Very high	93.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-39.4	171.3	0	0	0	0	0	112.1	L259 L265 P266 K273 M274 L372 Y376	L259-A270 HydrophobicContact CB-CB 4.24Å; L259-A270 HydrophobicContact CD1-CB 4.01Å; L265-A270 HydrophobicContact CB-CB 4.31Å; P266-A270 PolarHBondContact O-N 3Å; A270-K273 PolarHBondContact O-N 2.76Å; A270-M274 VanDerWaalsContact O-CE 3.32Å; A270-M274 WeakPolarHBondContact O-CE 3.43Å; A270-M274 PolarHBondContact O-N 3.29Å; A270-L372 HydrophobicContact CB-CD1 4.48Å; A270-Y376 VanDerWaalsContact CB-OH 3.26Å; A270-Y376 WeakPolarHBondContact CB-OH 3.5Å
271	Y	95	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-45.2	170.2	166.9	-101.2	0	0	0	112.3	P267 E269 M274 R275 W342 G343 F367 V368	P267-Y271 PolarHBondContact O-N 3.09Å; P267-Y271 VanDerWaalsContact O-N 3.13Å; E269-Y271 VanDerWaalsContact C-N 3.28Å; E269-Y271 PolarHBondContact O-N 3.42Å; Y271-M274 PolarHBondContact O-N 2.89Å; Y271-R275 WeakPolarHBondContact O-CB 3.35Å; Y271-R275 PolarHBondContact O-N 2.9Å; Y271-R275 PolarHBondContact OH-NH1 2.83Å; Y271-W342 HydrophobicContact CD2-CE3 4.45Å; Y271-W342 HydrophobicContact CD2-CH2 4.08Å; Y271-W342 AromaticContact CD2-CZ3 3.86Å; Y271-W342 HydrophobicContact CD2-CZ3 3.86Å; Y271-W342 HydrophobicContact CE2-CD2 4.24Å; Y271-W342 AromaticContact CE2-CE3 3.88Å; Y271-W342 HydrophobicContact CE2-CE3 3.88Å; Y271-W342 AromaticContact CE2-CH2 3.67Å; Y271-W342 HydrophobicContact CE2-CH2 3.67Å; Y271-W342 HydrophobicContact CE2-CZ2 4.04Å; Y271-W342 AromaticContact CE2-CZ3 3.59Å; Y271-W342 HydrophobicContact CE2-CZ3 3.59Å; Y271-G343 WeakPolarHBondContact OH-CA 3.49Å; Y271-F367 HydrophobicContact CD2-CB 3.99Å; Y271-F367 AromaticContact CD2-CD1 3.55Å; Y271-F367 HydrophobicContact CD2-CD1 3.55Å; Y271-F367 HydrophobicContact CD2-CE1 4.33Å; Y271-F367 AromaticContact CD2-CG 3.98Å; Y271-F367 HydrophobicContact CD2-CG 3.98Å; Y271-F367 HydrophobicContact CE2-CB 4.12Å; Y271-F367 HydrophobicContact CE2-CD1 4.33Å; Y271-F367 HydrophobicContact CE2-CG 4.33Å; Y271-F367 HydrophobicContact CG-CD1 4.41Å; Y271-V368 HydrophobicContact CD1-CG2 4.44Å; Y271-V368 HydrophobicContact CG-CG2 4.05Å
272	F	94.2	Very high	93.6	Very high	93 Å²	93	46.9 Å²	46.9	41%	0.408	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-39.5	177.6	-71.8	-52.3	0	0	0	112.6	T268 E269 R275 H276 R365	T268-F272 HydrophobicContact CG2-CD2 4.25Å; T268-F272 HydrophobicContact CG2-CE2 3.78Å; T268-F272 WeakPolarHBondContact O-CD2 3.39Å; T268-F272 PolarHBondContact O-N 3.32Å; E269-F272 CarbonylContact O-C 3.5Å; E269-F272 PolarHBondContact O-N 3.05Å; F272-R275 PolarHBondContact O-N 2.86Å; F272-H276 VanDerWaalsContact O-CB 3.31Å; F272-H276 WeakPolarHBondContact O-CB 3.25Å; F272-H276 PolarHBondContact O-N 2.74Å; F272-R365 VanDerWaalsContact CZ-NH1 3.28Å
273	K	94.6	Very high	93.7	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-48.7	174.1	176.4	61.2	174.6	-177.9	0	111.7	A227 H228 L259 L265 E269 A270 R275 H276 V277 P882	A227-K273 WeakPolarHBondContact O-CE 3.44Å; A227-K273 WeakPolarHBondContact O-CG 3.37Å; H228-K273 WeakPolarHBondContact O-CE 3.24Å; H228-K273 PolarHBondContact O-NZ 3.4Å; L259-K273 HydrophobicContact CD1-CG 4.48Å; L259-K273 HydrophobicContact CD2-CG 4.02Å; L265-K273 HydrophobicContact CD1-CB 4.47Å; E269-K273 PolarHBondContact O-N 2.9Å; A270-K273 PolarHBondContact O-N 2.76Å; K273-R275 VanDerWaalsContact C-N 3.35Å; K273-R275 PolarHBondContact O-N 2.72Å; K273-H276 PolarHBondContact O-N 3.19Å; K273-V277 WeakPolarHBondContact O-CG2 3.33Å; K273-V277 PolarHBondContact O-N 2.93Å; K273-P882 VanDerWaalsContact CD-O 3.29Å; K273-P882 WeakPolarHBondContact CD-O 3.26Å; K273-P882 WeakPolarHBondContact CE-O 3.4Å; K273-P882 PolarHBondContact NZ-O 2.89Å
274	M	94.9	Very high	93.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-66	-35.6	177.4	-71.8	-177.6	-72.1	0	0	113.1	I253 I256 L259 A270 Y271 L278 F307 F367 L372	I253-M274 HydrophobicContact CG2-CG 4.23Å; I256-M274 HydrophobicContact CG2-SD 4Å; L259-M274 HydrophobicContact CD1-CE 4.49Å; L259-M274 HydrophobicContact CD1-CG 3.92Å; L259-M274 HydrophobicContact CD1-SD 4.36Å; A270-M274 VanDerWaalsContact O-CE 3.32Å; A270-M274 WeakPolarHBondContact O-CE 3.43Å; A270-M274 PolarHBondContact O-N 3.29Å; Y271-M274 PolarHBondContact O-N 2.89Å; M274-L278 WeakPolarHBondContact O-CG 3.21Å; M274-L278 PolarHBondContact O-N 2.85Å; M274-F307 HydrophobicContact CB-CE1 4.26Å; M274-F307 HydrophobicContact CG-CE1 4.47Å; M274-F307 HydrophobicContact SD-CD1 3.67Å; M274-F307 HydrophobicContact SD-CE1 3.76Å; M274-F367 HydrophobicContact CE-CE1 3.83Å; M274-L372 HydrophobicContact CE-CD1 3.9Å; M274-L372 HydrophobicContact CE-CD2 3.96Å; M274-L372 HydrophobicContact CE-CG 4.48Å
275	R	94.6	Very high	93.5	Very high	71 Å²	71	38.6 Å²	38.6	27%	0.268	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-43.3	173.1	177.1	174.9	177.1	165.6	-2.9	111.6	Y271 F272 K273 V277 L278 D279 W342 D344	Y271-R275 WeakPolarHBondContact O-CB 3.35Å; Y271-R275 PolarHBondContact O-N 2.9Å; Y271-R275 PolarHBondContact OH-NH1 2.83Å; F272-R275 PolarHBondContact O-N 2.86Å; K273-R275 VanDerWaalsContact C-N 3.35Å; K273-R275 PolarHBondContact O-N 2.72Å; R275-V277 PolarHBondContact O-N 2.95Å; R275-L278 WeakPolarHBondContact O-CB 3.34Å; R275-L278 PolarHBondContact O-N 3.32Å; R275-L278 VanDerWaalsContact O-N 3.13Å; R275-D279 WeakPolarHBondContact CG-OD2 3.27Å; R275-D279 IonicContact NE-OD2 2.72Å; R275-D279 VanDerWaalsContact O-CG 3.27Å; R275-D279 PolarHBondContact O-N 3.48Å; R275-W342 HydrophobicContact CB-CH2 4.26Å; R275-W342 HydrophobicContact CB-CZ2 4.08Å; R275-W342 HydrophobicContact CG-CZ2 4.39Å; R275-D344 IonicContact CZ-OD2 2.97Å; R275-D344 IonicContact NH1-OD1 3.73Å; R275-D344 IonicContact NH1-OD2 3.33Å; R275-D344 PolarHBondContact NH1-OD2 3.44Å; R275-D344 IonicContact NH2-OD2 3.8Å
276	H	94.5	Very high	93.2	Very high	57 Å²	57	40 Å²	40	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-61.4	-43.8	177	174.7	26.4	0	0	0	111.8	F272 K273 L278 D279 D280 P882	F272-H276 VanDerWaalsContact O-CB 3.31Å; F272-H276 WeakPolarHBondContact O-CB 3.25Å; F272-H276 PolarHBondContact O-N 2.74Å; K273-H276 PolarHBondContact O-N 3.19Å; H276-L278 VanDerWaalsContact C-N 3.26Å; H276-L278 PolarHBondContact O-N 2.75Å; H276-D279 PolarHBondContact O-N 2.67Å; H276-D279 VanDerWaalsContact O-N 3.15Å; H276-D280 IonicContact CE1-OD1 3.9Å; H276-D280 PolarHBondContact CE1-OD1 3.18Å; H276-D280 IonicContact CE1-OD2 3.74Å; H276-D280 PolarHBondContact CE1-OD2 2.87Å; H276-D280 IonicContact CG-OD2 3.83Å; H276-D280 IonicContact ND1-OD1 3.92Å; H276-D280 PolarHBondContact ND1-OD1 3.34Å; H276-D280 IonicContact ND1-OD2 2.69Å; H276-D280 PolarHBondContact ND1-OD2 3.44Å; H276-D280 IonicContact NE2-OD2 3.7Å; H276-D280 WeakPolarHBondContact O-CB 3.38Å; H276-D280 PolarHBondContact O-N 3.27Å; H276-P882 VanDerWaalsContact NE2-CB 3.33Å; H276-P882 WeakPolarHBondContact NE2-CB 3.49Å; H276-P882 VanDerWaalsContact NE2-CG 3.28Å; H276-P882 WeakPolarHBondContact NE2-CG 3.09Å
277	V	94.7	Very high	92.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-37.9	173.2	171.1	0	0	0	0	112	V225 K273 R275 V281	V225-V277 HydrophobicContact CB-CG1 4.33Å; V225-V277 HydrophobicContact CG1-CG1 3.58Å; K273-V277 WeakPolarHBondContact O-CG2 3.33Å; K273-V277 PolarHBondContact O-N 2.93Å; R275-V277 PolarHBondContact O-N 2.95Å; V277-V281 WeakPolarHBondContact O-CG2 3.46Å; V277-V281 PolarHBondContact O-N 2.87Å; V277-V281 VanDerWaalsContact O-N 3.17Å
278	L	94.2	Very high	92.2	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-44.6	174.2	-76.2	162.6	0	0	0	112.8	L251 I253 M274 R275 H276 D280 V281 N282 F298 P300 V305 W342	L251-L278 HydrophobicContact CD2-CD2 3.49Å; L251-L278 VanDerWaalsContact CD2-CD2 3.49Å; I253-L278 HydrophobicContact CD1-CD1 4.09Å; I253-L278 HydrophobicContact CD1-CD2 4.01Å; I253-L278 HydrophobicContact CD1-CG 3.75Å; M274-L278 WeakPolarHBondContact O-CG 3.21Å; M274-L278 PolarHBondContact O-N 2.85Å; R275-L278 WeakPolarHBondContact O-CB 3.34Å; R275-L278 PolarHBondContact O-N 3.32Å; R275-L278 VanDerWaalsContact O-N 3.13Å; H276-L278 VanDerWaalsContact C-N 3.26Å; H276-L278 PolarHBondContact O-N 2.75Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.07Å; L278-V281 PolarHBondContact O-N 3.25Å; L278-N282 WeakPolarHBondContact O-CB 3.46Å; L278-N282 PolarHBondContact O-N 3.22Å; L278-N282 PolarHBondContact O-ND2 2.75Å; L278-F298 HydrophobicContact CD2-CB 4.42Å; L278-P300 HydrophobicContact CD1-CG 3.78Å; L278-V305 HydrophobicContact CD2-CB 4.44Å; L278-V305 HydrophobicContact CD2-CG1 3.93Å; L278-V305 HydrophobicContact CD2-CG2 3.67Å; L278-W342 HydrophobicContact CD1-CH2 3.67Å; L278-W342 HydrophobicContact CD1-CZ2 3.38Å
279	D	93.5	Very high	91.1	Very high	70 Å²	70	44.9 Å²	44.9	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-38.7	179.7	-66.5	-22.6	0	0	0	109.8	R275 H276 N282 N283	R275-D279 WeakPolarHBondContact CG-OD2 3.27Å; R275-D279 IonicContact NE-OD2 2.72Å; R275-D279 VanDerWaalsContact O-CG 3.27Å; R275-D279 PolarHBondContact O-N 3.48Å; H276-D279 PolarHBondContact O-N 2.67Å; H276-D279 VanDerWaalsContact O-N 3.15Å; D279-N282 PolarHBondContact O-N 2.88Å; D279-N283 WeakPolarHBondContact O-CB 3.41Å; D279-N283 PolarHBondContact O-N 2.95Å; D279-N283 PolarHBondContact O-ND2 3.38Å; D279-N283 VanDerWaalsContact O-ND2 3.09Å
280	D	93.3	Very high	89.6	Confident	48 Å²	48	41.5 Å²	41.5	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-45.8	175.5	-66.1	-12.7	0	0	0	113.2	V231 H276 L278 N282 N283 L284	V231-D280 HydrophobicContact CG2-CB 4.07Å; H276-D280 IonicContact CE1-OD1 3.9Å; H276-D280 PolarHBondContact CE1-OD1 3.18Å; H276-D280 IonicContact CE1-OD2 3.74Å; H276-D280 PolarHBondContact CE1-OD2 2.87Å; H276-D280 IonicContact CG-OD2 3.83Å; H276-D280 IonicContact ND1-OD1 3.92Å; H276-D280 PolarHBondContact ND1-OD1 3.34Å; H276-D280 IonicContact ND1-OD2 2.69Å; H276-D280 PolarHBondContact ND1-OD2 3.44Å; H276-D280 IonicContact NE2-OD2 3.7Å; H276-D280 WeakPolarHBondContact O-CB 3.38Å; H276-D280 PolarHBondContact O-N 3.27Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 3.07Å; D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 PolarHBondContact O-N 3.46Å; D280-N283 PolarHBondContact O-N 3.47Å; D280-L284 WeakPolarHBondContact O-CG 3.49Å; D280-L284 PolarHBondContact O-N 3.1Å
281	V	93.7	Very high	87.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-42.1	174.8	170.3	0	0	0	0	110.7	V231 L239 L251 V277 L278 L284 V285 F298	V231-V281 HydrophobicContact CG2-CG2 3.62Å; L239-V281 HydrophobicContact CD1-CG1 4.21Å; L251-V281 HydrophobicContact CD1-CG1 4.38Å; L251-V281 HydrophobicContact CD1-CG2 4.31Å; L251-V281 HydrophobicContact CD2-CG1 4.44Å; L251-V281 HydrophobicContact CD2-CG2 4.47Å; V277-V281 WeakPolarHBondContact O-CG2 3.46Å; V277-V281 PolarHBondContact O-N 2.87Å; V277-V281 VanDerWaalsContact O-N 3.17Å; L278-V281 PolarHBondContact O-N 3.25Å; V281-L284 PolarHBondContact O-N 3.38Å; V281-V285 HydrophobicContact CG1-CG2 4.48Å; V281-V285 WeakPolarHBondContact O-CB 3.32Å; V281-V285 VanDerWaalsContact O-CG2 3.25Å; V281-V285 WeakPolarHBondContact O-CG2 3.34Å; V281-V285 PolarHBondContact O-N 3.18Å; V281-F298 HydrophobicContact CG1-CD2 3.84Å; V281-F298 HydrophobicContact CG1-CE2 4.22Å; V281-F298 HydrophobicContact CG1-CG 4.2Å
282	N	92.8	Very high	85.2	Confident	32 Å²	32	51.6 Å²	51.6	17%	0.171	29%	0.287	C	S	.	.	H	α-helix	trans	-64	-41.5	175.6	-77.9	-52.2	0	0	0	112.3	L278 D279 D280 V285 S286 F298	L278-N282 WeakPolarHBondContact O-CB 3.46Å; L278-N282 PolarHBondContact O-N 3.22Å; L278-N282 PolarHBondContact O-ND2 2.75Å; D279-N282 PolarHBondContact O-N 2.88Å; D280-N282 VanDerWaalsContact C-N 3.3Å; D280-N282 PolarHBondContact O-N 3.46Å; N282-V285 PolarHBondContact O-N 3.28Å; N282-S286 WeakPolarHBondContact O-CB 3.43Å; N282-S286 PolarHBondContact O-N 2.81Å; N282-S286 PolarHBondContact O-OG 2.96Å; N282-F298 PolarHBondContact ND2-O 2.79Å; N282-F298 PolarHBondContact OD1-N 2.95Å
283	N	91.9	Very high	83.1	Confident	94 Å²	94	56.8 Å²	56.8	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-45.1	177.7	-70.3	-27.8	0	0	0	111.5	D279 D280 S286 T287	D279-N283 WeakPolarHBondContact O-CB 3.41Å; D279-N283 PolarHBondContact O-N 2.95Å; D279-N283 PolarHBondContact O-ND2 3.38Å; D279-N283 VanDerWaalsContact O-ND2 3.09Å; D280-N283 PolarHBondContact O-N 3.47Å; N283-S286 PolarHBondContact O-N 3.28Å; N283-S286 PolarHBondContact O-OG 3.45Å; N283-T287 WeakPolarHBondContact O-CB 3.41Å; N283-T287 PolarHBondContact O-N 3.36Å; N283-T287 PolarHBondContact O-OG1 3.43Å
284	L	89.9	Confident	81.3	Confident	42 Å²	42	61 Å²	61	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-46.7	175.2	-74.8	163.6	0	0	0	112.2	V231 E236 D280 V281 S286 T287 L288	V231-L284 HydrophobicContact CB-CD1 4.32Å; V231-L284 HydrophobicContact CG1-CD1 3.48Å; V231-L284 VanDerWaalsContact CG1-CD1 3.48Å; E236-L284 HydrophobicContact CG-CD1 4Å; E236-L284 HydrophobicContact CG-CD2 4.13Å; D280-L284 WeakPolarHBondContact O-CG 3.49Å; D280-L284 PolarHBondContact O-N 3.1Å; V281-L284 PolarHBondContact O-N 3.38Å; L284-S286 PolarHBondContact O-N 3.5Å; L284-T287 WeakPolarHBondContact O-CB 3Å; L284-T287 PolarHBondContact O-N 3.25Å; L284-T287 VanDerWaalsContact O-N 3.16Å; L284-L288 WeakPolarHBondContact O-CB 3.39Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 2.87Å; L284-L288 PolarHBondContact O-N 3.32Å
285	V	88.8	Confident	79.7	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-39.4	-179.2	166.9	0	0	0	0	111.9	L239 L243 V281 N282 T287 L288 K289 P296 F298	L239-V285 HydrophobicContact CD1-CG2 4.28Å; L239-V285 HydrophobicContact CD2-CG2 4.07Å; L243-V285 HydrophobicContact CD1-CG1 4.44Å; V281-V285 HydrophobicContact CG1-CG2 4.48Å; V281-V285 WeakPolarHBondContact O-CB 3.32Å; V281-V285 VanDerWaalsContact O-CG2 3.25Å; V281-V285 WeakPolarHBondContact O-CG2 3.34Å; V281-V285 PolarHBondContact O-N 3.18Å; N282-V285 PolarHBondContact O-N 3.28Å; V285-T287 VanDerWaalsContact C-N 3.31Å; V285-T287 PolarHBondContact O-N 3.06Å; V285-L288 PolarHBondContact O-N 3.41Å; V285-K289 PolarHBondContact O-N 3.42Å; V285-K289 VanDerWaalsContact O-N 3.15Å; V285-P296 HydrophobicContact CG1-CG 3.86Å; V285-F298 HydrophobicContact CB-CE2 4.41Å; V285-F298 HydrophobicContact CG1-CE2 4.26Å; V285-F298 HydrophobicContact CG2-CE2 3.87Å
286	S	87.2	Confident	78.5	Confident	55 Å²	55	62.1 Å²	62.1	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-31.9	174.5	68.5	0	0	0	0	113	N282 N283 L284 G290	N282-S286 WeakPolarHBondContact O-CB 3.43Å; N282-S286 PolarHBondContact O-N 2.81Å; N282-S286 PolarHBondContact O-OG 2.96Å; N283-S286 PolarHBondContact O-N 3.28Å; N283-S286 PolarHBondContact O-OG 3.45Å; L284-S286 PolarHBondContact O-N 3.5Å; S286-G290 PolarHBondContact O-N 2.83Å
287	T	87	Confident	78	Confident	113 Å²	113	62.8 Å²	62.8	69%	0.693	36%	0.363	S	S	*	.	H	α-helix	trans	-71.1	-41.6	174.5	-58	0	0	0	0	111.4	N283 L284 V285	N283-T287 WeakPolarHBondContact O-CB 3.41Å; N283-T287 PolarHBondContact O-N 3.36Å; N283-T287 PolarHBondContact O-OG1 3.43Å; L284-T287 WeakPolarHBondContact O-CB 3Å; L284-T287 PolarHBondContact O-N 3.25Å; L284-T287 VanDerWaalsContact O-N 3.16Å; V285-T287 VanDerWaalsContact C-N 3.31Å; V285-T287 PolarHBondContact O-N 3.06Å
288	L	80.4	Confident	77.8	Confident	73 Å²	73	63 Å²	63	38%	0.382	36%	0.364	S	S	.	.	H	α-helix	trans	-72.8	-35.7	-176.4	-72.7	169	0	0	0	114.2	L239 K240 L243 L284 V285	L239-L288 HydrophobicContact CB-CD1 4.19Å; K240-L288 HydrophobicContact CB-CD1 4.17Å; K240-L288 HydrophobicContact CB-CD2 4.04Å; K240-L288 HydrophobicContact CD-CD2 4.45Å; K240-L288 HydrophobicContact CG-CD2 4.12Å; L243-L288 HydrophobicContact CD1-CB 3.73Å; L243-L288 HydrophobicContact CD1-CD1 4.07Å; L284-L288 WeakPolarHBondContact O-CB 3.39Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 2.87Å; L284-L288 PolarHBondContact O-N 3.32Å; V285-L288 PolarHBondContact O-N 3.41Å
289	K	70.4	Confident	77.7	Confident	68 Å²	68	63.9 Å²	63.9	30%	0.296	37%	0.371	S	S	.	.	H	α-helix	trans	-91.5	-16.1	179.3	-107.7	-171.8	171.1	-172.4	0	114.5	L243 V285 T294 N295	L243-K289 HydrophobicContact CD2-CD 3.99Å; L243-K289 HydrophobicContact CD2-CG 4.2Å; V285-K289 PolarHBondContact O-N 3.42Å; V285-K289 VanDerWaalsContact O-N 3.15Å; K289-T294 PolarHBondContact NZ-O 3.19Å; K289-N295 WeakPolarHBondContact CB-OD1 3.27Å; K289-N295 WeakPolarHBondContact CD-OD1 3.42Å
290	G	62.5	Low	77.7	Confident	34 Å²	34	60.8 Å²	60.8	35%	0.351	35%	0.354	S	S	.	.			trans	63.9	-157.9	-172	0	0	0	0	0	113.4	S286 S292 N295	S286-G290 PolarHBondContact O-N 2.83Å; G290-S292 PolarHBondContact O-N 3.16Å; G290-N295 PolarHBondContact O-ND2 3.45Å; G290-N295 VanDerWaalsContact O-ND2 3.11Å
291	T	48.5	Very low	77.6	Confident	154 Å²	154	62.1 Å²	62.1	95%	0.945	36%	0.361	S	S	*	.	S	Bend	trans	-80.4	50.1	-177.1	47	0	0	0	0	113.5
292	S	48.1	Very low	77.5	Confident	58 Å²	58	66.8 Å²	66.8	41%	0.406	39%	0.386	S	S	.	.			trans	-84	138.8	166.2	-173.1	0	0	0	0	110.2	G290 T294	G290-S292 PolarHBondContact O-N 3.16Å; S292-T294 PolarHBondContact O-N 2.91Å; S292-T294 VanDerWaalsContact O-N 3.09Å
293	E	49.3	Very low	77.3	Confident	202 Å²	202	65.7 Å²	65.7	94%	0.944	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12	-173.1	-63	-173.8	145.7	0	0	114.3
294	T	57.7	Low	77.4	Confident	102 Å²	102	61.7 Å²	61.7	63%	0.626	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	56.8	-177	56.6	0	0	0	0	112.7	K289 S292	K289-T294 PolarHBondContact NZ-O 3.19Å; S292-T294 PolarHBondContact O-N 2.91Å; S292-T294 VanDerWaalsContact O-N 3.09Å
295	N	60.2	Low	77.6	Confident	56 Å²	56	59.7 Å²	59.7	30%	0.299	35%	0.35	S	S	.	.			trans	-72.5	124.4	169.4	-79.7	-18.4	0	0	0	110.8	K289 G290 C297	K289-N295 WeakPolarHBondContact CB-OD1 3.27Å; K289-N295 WeakPolarHBondContact CD-OD1 3.42Å; G290-N295 PolarHBondContact O-ND2 3.45Å; G290-N295 VanDerWaalsContact O-ND2 3.11Å; N295-C297 PolarHBondContact O-N 3.41Å; N295-C297 VanDerWaalsContact O-N 3.08Å
296	P	70.2	Confident	77.9	Confident	40 Å²	40	59.6 Å²	59.6	26%	0.26	35%	0.349	S	S	.	.			trans	-69.6	109.1	177.1	26.4	-29.3	0	0	0	109.3	L243 V285 F298	L243-P296 HydrophobicContact CD2-CG 4.25Å; V285-P296 HydrophobicContact CG1-CG 3.86Å; P296-F298 HydrophobicContact CB-CE2 4.4Å; P296-F298 HydrophobicContact CB-CZ 4.43Å; P296-F298 HydrophobicContact CG-CE2 4.44Å; P296-F298 WeakPolarHBondContact O-CD2 3.4Å; P296-F298 VanDerWaalsContact O-CE2 3.31Å; P296-F298 WeakPolarHBondContact O-CE2 3.44Å
297	C	83.7	Confident	78.4	Confident	72 Å²	72	57 Å²	57	49%	0.486	33%	0.331	S	S	.	.			trans	-85.7	120.3	176.9	179.8	0	0	0	0	109.8	N295 L302 N304	N295-C297 PolarHBondContact O-N 3.41Å; N295-C297 VanDerWaalsContact O-N 3.08Å; C297-L302 HydrophobicContact CB-CD1 4.48Å; C297-L302 VanDerWaalsContact O-CD1 3.3Å; C297-L302 WeakPolarHBondContact O-CD1 3.48Å; C297-N304 PolarHBondContact O-ND2 3.38Å
298	F	90.3	Very high	78.8	Confident	5 Å²	5	51.6 Å²	51.6	2%	0.022	30%	0.298	C	S	.	.			trans	-85.5	116.8	177.4	-62.9	-85.6	0	0	0	109.9	I249 L251 L278 V281 N282 V285 P296 V305	I249-F298 HydrophobicContact CB-CE1 4.12Å; I249-F298 HydrophobicContact CB-CZ 3.78Å; I249-F298 HydrophobicContact CG2-CE1 3.76Å; I249-F298 HydrophobicContact CG2-CZ 3.55Å; L251-F298 HydrophobicContact CB-CD1 3.89Å; L251-F298 HydrophobicContact CB-CE1 4.39Å; L278-F298 HydrophobicContact CD2-CB 4.42Å; V281-F298 HydrophobicContact CG1-CD2 3.84Å; V281-F298 HydrophobicContact CG1-CE2 4.22Å; V281-F298 HydrophobicContact CG1-CG 4.2Å; N282-F298 PolarHBondContact ND2-O 2.79Å; N282-F298 PolarHBondContact OD1-N 2.95Å; V285-F298 HydrophobicContact CB-CE2 4.41Å; V285-F298 HydrophobicContact CG1-CE2 4.26Å; V285-F298 HydrophobicContact CG2-CE2 3.87Å; P296-F298 HydrophobicContact CB-CE2 4.4Å; P296-F298 HydrophobicContact CB-CZ 4.43Å; P296-F298 HydrophobicContact CG-CE2 4.44Å; P296-F298 WeakPolarHBondContact O-CD2 3.4Å; P296-F298 VanDerWaalsContact O-CE2 3.31Å; P296-F298 WeakPolarHBondContact O-CE2 3.44Å; F298-V305 HydrophobicContact CB-CG2 4.2Å
299	S	92.5	Very high	79.5	Confident	22 Å²	22	48.1 Å²	48.1	15%	0.154	28%	0.28	C	S	.	.			trans	-152	128.2	179.3	-179.3	0	0	0	0	110.8	L301 L302 G303 N304	S299-L301 PolarHBondContact O-N 2.89Å; S299-L301 PolarHBondContact OG-N 2.91Å; S299-L302 PolarHBondContact O-N 3.27Å; S299-G303 PolarHBondContact O-N 3.03Å; S299-N304 PolarHBondContact N-OD1 2.6Å; S299-N304 PolarHBondContact O-OD1 2.89Å
300	P	92.7	Very high	80.3	Confident	4 Å²	4	45 Å²	45	3%	0.026	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.6	172.8	-28.6	36.5	0	0	0	114.2	L278 G303 V305 F307 L318 W342	L278-P300 HydrophobicContact CD1-CG 3.78Å; P300-G303 PolarHBondContact O-N 3.44Å; P300-V305 HydrophobicContact CB-CB 4.48Å; P300-V305 HydrophobicContact CG-CB 4Å; P300-V305 HydrophobicContact CG-CG1 4.1Å; P300-V305 HydrophobicContact CG-CG2 4.35Å; P300-F307 HydrophobicContact CB-CE2 4.1Å; P300-F307 HydrophobicContact CB-CZ 4.36Å; P300-F307 HydrophobicContact CG-CE2 3.95Å; P300-F307 HydrophobicContact CG-CZ 3.73Å; P300-L318 VanDerWaalsContact C-CD1 3.5Å; P300-L318 HydrophobicContact CB-CD1 3.83Å; P300-L318 HydrophobicContact CB-CD2 4.26Å; P300-L318 HydrophobicContact CB-CG 3.88Å; P300-L318 VanDerWaalsContact O-CD1 3.24Å; P300-L318 WeakPolarHBondContact O-CD1 3.3Å; P300-L318 WeakPolarHBondContact O-CG 3.41Å; P300-W342 HydrophobicContact CB-CB 4.46Å; P300-W342 HydrophobicContact CB-CD2 4.04Å; P300-W342 HydrophobicContact CB-CE3 4.28Å; P300-W342 HydrophobicContact CB-CG 4.1Å; P300-W342 HydrophobicContact CG-CD2 3.78Å; P300-W342 HydrophobicContact CG-CE3 4.01Å; P300-W342 HydrophobicContact CG-CG 4.25Å; P300-W342 HydrophobicContact CG-CH2 4.4Å; P300-W342 HydrophobicContact CG-CZ2 4.18Å; P300-W342 HydrophobicContact CG-CZ3 4.31Å
301	L	91.8	Very high	81.5	Confident	76 Å²	76	47 Å²	47	40%	0.398	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-25.7	175.5	-66.2	171.2	0	0	0	114	S299 L318 R339 W342	S299-L301 PolarHBondContact O-N 2.89Å; S299-L301 PolarHBondContact OG-N 2.91Å; L301-L318 HydrophobicContact CD2-CD1 3.93Å; L301-L318 HydrophobicContact CG-CD1 4.46Å; L301-R339 WeakPolarHBondContact CD2-O 3.4Å; L301-W342 HydrophobicContact CD2-CB 3.84Å; L301-W342 HydrophobicContact CG-CB 3.94Å; L301-W342 HydrophobicContact CG-CG 4.34Å
302	L	90.7	Very high	83.5	Confident	99 Å²	99	40.2 Å²	40.2	52%	0.518	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-20.7	175.6	-63.3	173.2	0	0	0	111.5	C297 S299 H435	C297-L302 HydrophobicContact CB-CD1 4.48Å; C297-L302 VanDerWaalsContact O-CD1 3.3Å; C297-L302 WeakPolarHBondContact O-CD1 3.48Å; S299-L302 PolarHBondContact O-N 3.27Å; L302-H435 PolarHBondContact O-CE1 2.87Å; L302-H435 VanDerWaalsContact O-CE1 3.24Å; L302-H435 PolarHBondContact O-NE2 2.96Å
303	G	90.3	Very high	85.6	Confident	8 Å²	8	37.8 Å²	37.8	8%	0.082	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	11.7	-176.8	0	0	0	0	0	114.2	S299 P300 V305 V431 H435	S299-G303 PolarHBondContact O-N 3.03Å; P300-G303 PolarHBondContact O-N 3.44Å; G303-V305 VanDerWaalsContact C-N 3.33Å; G303-V431 VanDerWaalsContact O-CG2 3.3Å; G303-V431 WeakPolarHBondContact O-CG2 3.3Å; G303-H435 PolarHBondContact O-CE1 3.32Å; G303-H435 VanDerWaalsContact O-CE1 3.23Å; G303-H435 PolarHBondContact O-ND1 3.15Å
304	N	92.7	Very high	87.7	Confident	11 Å²	11	28.1 Å²	28.1	6%	0.059	16%	0.158	C	C	.	.			trans	-89.5	2.9	173.8	62.1	-5.3	0	0	0	114	L251 C297 S299 H435	L251-N304 PolarHBondContact N-O 2.98Å; C297-N304 PolarHBondContact O-ND2 3.38Å; S299-N304 PolarHBondContact N-OD1 2.6Å; S299-N304 PolarHBondContact O-OD1 2.89Å; N304-H435 PolarHBondContact N-CE1 3.3Å
305	V	95.4	Very high	89.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.3	177.1	-175.2	0	0	0	0	109.8	L251 I253 L278 F298 P300 G303	L251-V305 HydrophobicContact CB-CG2 4.29Å; L251-V305 HydrophobicContact CD2-CG1 4.36Å; L251-V305 HydrophobicContact CD2-CG2 4.32Å; L251-V305 CarbonylContact O-C 3.59Å; L251-V305 VanDerWaalsContact O-CA 3.3Å; L251-V305 WeakPolarHBondContact O-CA 3.48Å; I253-V305 HydrophobicContact CD1-CG1 4.17Å; I253-V305 HydrophobicContact CG1-CG1 4.47Å; L278-V305 HydrophobicContact CD2-CB 4.44Å; L278-V305 HydrophobicContact CD2-CG1 3.93Å; L278-V305 HydrophobicContact CD2-CG2 3.67Å; F298-V305 HydrophobicContact CB-CG2 4.2Å; P300-V305 HydrophobicContact CB-CB 4.48Å; P300-V305 HydrophobicContact CG-CB 4Å; P300-V305 HydrophobicContact CG-CG1 4.1Å; P300-V305 HydrophobicContact CG-CG2 4.35Å; G303-V305 VanDerWaalsContact C-N 3.33Å
306	C	94.8	Very high	91.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	156.2	163.3	56.8	0	0	0	0	111.8	L251 C252 I253 V431	L251-C306 PolarHBondContact O-N 2.92Å; C252-C306 WeakPolarHBondContact CA-O 3.27Å; C252-C306 VanDerWaalsContact SG-SG 3.61Å; I253-C306 PolarHBondContact N-O 3Å; C306-V431 HydrophobicContact CB-CG2 4.14Å
307	F	96.3	Very high	92.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.1	171.7	-58.7	-84.5	0	0	0	108.6	I253 I256 M274 P300 C315 F316 W342 F367	I253-F307 HydrophobicContact CB-CD1 4Å; I253-F307 HydrophobicContact CB-CE1 4.42Å; I253-F307 HydrophobicContact CD1-CD1 4.27Å; I253-F307 HydrophobicContact CD1-CE1 3.81Å; I253-F307 HydrophobicContact CG2-CD1 4.28Å; I253-F307 CarbonylContact O-C 3.59Å; I253-F307 WeakPolarHBondContact O-CA 3.28Å; I256-F307 HydrophobicContact CD1-CB 4.39Å; I256-F307 HydrophobicContact CG2-CB 4.37Å; M274-F307 HydrophobicContact CB-CE1 4.26Å; M274-F307 HydrophobicContact CG-CE1 4.47Å; M274-F307 HydrophobicContact SD-CD1 3.67Å; M274-F307 HydrophobicContact SD-CE1 3.76Å; P300-F307 HydrophobicContact CB-CE2 4.1Å; P300-F307 HydrophobicContact CB-CZ 4.36Å; P300-F307 HydrophobicContact CG-CE2 3.95Å; P300-F307 HydrophobicContact CG-CZ 3.73Å; F307-C315 WeakPolarHBondContact O-CA 3.5Å; F307-F316 HydrophobicContact CB-CD2 4.22Å; F307-F316 HydrophobicContact CB-CE1 4.09Å; F307-F316 HydrophobicContact CB-CE2 3.72Å; F307-F316 HydrophobicContact CB-CZ 3.65Å; F307-F316 HydrophobicContact CD2-CD2 4.16Å; F307-F316 AromaticContact CD2-CE2 3.68Å; F307-F316 HydrophobicContact CD2-CE2 3.68Å; F307-F316 HydrophobicContact CD2-CZ 4.37Å; F307-F316 AromaticContact CG-CE2 3.97Å; F307-F316 HydrophobicContact CG-CE2 3.97Å; F307-F316 HydrophobicContact CG-CZ 4.22Å; F307-F316 PolarHBondContact N-O 2.9Å; F307-F316 PolarHBondContact O-N 3.19Å; F307-W342 HydrophobicContact CE1-CZ3 4.33Å; F307-W342 HydrophobicContact CE2-CZ3 4.43Å; F307-W342 HydrophobicContact CZ-CE3 4.2Å; F307-W342 HydrophobicContact CZ-CH2 4.1Å; F307-W342 AromaticContact CZ-CZ3 3.61Å; F307-W342 HydrophobicContact CZ-CZ3 3.61Å; F307-F367 HydrophobicContact CD2-CE2 4.45Å; F307-F367 HydrophobicContact CD2-CZ 4.28Å; F307-F367 HydrophobicContact CE1-CZ 4.34Å; F307-F367 AromaticContact CE2-CE2 3.89Å; F307-F367 HydrophobicContact CE2-CE2 3.89Å; F307-F367 AromaticContact CE2-CZ 3.91Å; F307-F367 HydrophobicContact CE2-CZ 3.91Å; F307-F367 HydrophobicContact CZ-CE2 4.2Å; F307-F367 AromaticContact CZ-CZ 3.95Å; F307-F367 HydrophobicContact CZ-CZ 3.95Å
308	A	95.9	Very high	92.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.4	-174.5	0	0	0	0	0	113.9	F141 C252 I253 N254 K255 I256 I314 C315	F141-A308 HydrophobicContact CD2-CB 4.22Å; F141-A308 HydrophobicContact CE2-CB 3.97Å; C252-A308 VanDerWaalsContact SG-CB 3.59Å; I253-A308 PolarHBondContact O-N 3.19Å; N254-A308 CarbonylContact C-O 3.48Å; N254-A308 VanDerWaalsContact C-O 3.24Å; N254-A308 VanDerWaalsContact CA-O 3.27Å; N254-A308 WeakPolarHBondContact CA-O 3.42Å; N254-A308 PolarHBondContact OD1-O 3.17Å; K255-A308 PolarHBondContact N-O 3.12Å; I256-A308 WeakPolarHBondContact CG1-O 3.4Å; I256-A308 PolarHBondContact N-O 2.97Å; A308-I314 CarbonylContact C-O 3.53Å; A308-I314 WeakPolarHBondContact CA-O 3.38Å; A308-I314 WeakPolarHBondContact CB-O 3.48Å; A308-C315 HydrophobicContact CB-CB 4.49Å
309	S	94.7	Very high	92.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	98.2	162.4	172.6	0	0	0	0	107.1	N254 D257 R311 Y312 N313 I314	N254-S309 WeakPolarHBondContact OD1-CA 3.34Å; D257-S309 WeakPolarHBondContact OD1-CB 3.44Å; D257-S309 PolarHBondContact OD1-OG 3.12Å; S309-R311 PolarHBondContact O-N 2.65Å; S309-Y312 PolarHBondContact O-N 3.26Å; S309-N313 PolarHBondContact O-N 2.91Å; S309-I314 PolarHBondContact N-O 2.87Å; S309-I314 PolarHBondContact O-N 2.68Å
310	G	88.1	Confident	92.9	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.021	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.2	178.4	0	0	0	0	0	112.9	C144 R155 N254 Y312	C144-G310 PolarHBondContact SG-O 3.1Å; R155-G310 PolarHBondContact NH1-O 3.03Å; N254-G310 PolarHBondContact OD1-N 3.3Å; G310-Y312 PolarHBondContact O-N 2.8Å
311	R	88.3	Confident	92.9	Very high	77 Å²	77	17.1 Å²	17.1	29%	0.291	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-42.7	179.5	-162.9	173.4	-168.3	84.5	14.4	111.9	R155 D160 S309	R155-R311 PolarHBondContact NH2-O 3.13Å; D160-R311 IonicContact OD1-CZ 2.72Å; D160-R311 IonicContact OD1-NH1 2.82Å; D160-R311 PolarHBondContact OD1-NH1 2.99Å; D160-R311 IonicContact OD1-NH2 3.45Å; D160-R311 IonicContact OD2-NH1 3.15Å; S309-R311 PolarHBondContact O-N 2.65Å
312	Y	90.8	Very high	92.9	Very high	11 Å²	11	13.5 Å²	13.5	4%	0.043	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	20.9	-174.7	-55.9	-64.5	0	0	0	114.3	D257 L261 S309 G310 I314 F379 R411 L414 C418	D257-Y312 HydrophobicContact CB-CD2 3.71Å; D257-Y312 HydrophobicContact CB-CE2 3.72Å; D257-Y312 VanDerWaalsContact OD2-CE2 3.32Å; D257-Y312 WeakPolarHBondContact OD2-CE2 3.25Å; L261-Y312 HydrophobicContact CD1-CE2 3.82Å; S309-Y312 PolarHBondContact O-N 3.26Å; G310-Y312 PolarHBondContact O-N 2.8Å; Y312-I314 VanDerWaalsContact C-N 3.29Å; Y312-I314 PolarHBondContact O-N 2.85Å; Y312-F379 AromaticContact CD2-CE1 3.94Å; Y312-F379 HydrophobicContact CD2-CE1 3.94Å; Y312-F379 HydrophobicContact CD2-CZ 4.1Å; Y312-F379 HydrophobicContact CE2-CE1 4.16Å; Y312-F379 HydrophobicContact CG-CE1 4.4Å; Y312-R411 HydrophobicContact CE1-CB 4.43Å; Y312-R411 HydrophobicContact CE1-CG 4.5Å; Y312-L414 HydrophobicContact CD1-CB 3.61Å; Y312-L414 HydrophobicContact CD1-CD1 4.45Å; Y312-L414 HydrophobicContact CE1-CB 3.85Å; Y312-L414 HydrophobicContact CE1-CD1 4Å; Y312-L414 HydrophobicContact CG-CB 4.42Å; Y312-C418 WeakPolarHBondContact O-CB 3.49Å
313	N	91.4	Very high	92.9	Very high	6 Å²	6	10.7 Å²	10.7	3%	0.032	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.8	179.8	-73.7	-26.8	0	0	0	113.5	C144 E147 R155 S309 R419 F425	C144-N313 WeakPolarHBondContact CB-OD1 3.33Å; C144-N313 PolarHBondContact SG-OD1 2.96Å; E147-N313 PolarHBondContact OE1-ND2 2.71Å; E147-N313 PolarHBondContact OE2-ND2 3.42Å; R155-N313 VanDerWaalsContact NH2-CG 3.31Å; R155-N313 PolarHBondContact NH2-ND2 2.81Å; R155-N313 VanDerWaalsContact NH2-ND2 3.19Å; R155-N313 PolarHBondContact NH2-OD1 3.3Å; S309-N313 PolarHBondContact O-N 2.91Å; N313-R419 HydrophobicContact CB-CB 3.94Å; N313-F425 HydrophobicContact CB-CE1 4.43Å
314	I	94.3	Very high	92.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.2	174.3	-53.3	179.5	0	0	0	108.8	I256 A308 S309 Y312 F316 F379 C418 F422	I256-I314 HydrophobicContact CD1-CG2 4.24Å; A308-I314 CarbonylContact C-O 3.53Å; A308-I314 WeakPolarHBondContact CA-O 3.38Å; A308-I314 WeakPolarHBondContact CB-O 3.48Å; S309-I314 PolarHBondContact N-O 2.87Å; S309-I314 PolarHBondContact O-N 2.68Å; Y312-I314 VanDerWaalsContact C-N 3.29Å; Y312-I314 PolarHBondContact O-N 2.85Å; I314-F316 HydrophobicContact CG2-CD1 3.71Å; I314-F316 HydrophobicContact CG2-CE1 3.84Å; I314-F379 HydrophobicContact CD1-CE2 3.76Å; I314-F379 HydrophobicContact CD1-CZ 3.69Å; I314-C418 HydrophobicContact CD1-CB 4.41Å; I314-C418 HydrophobicContact CG1-CB 3.9Å; I314-F422 HydrophobicContact CB-CD2 4.25Å; I314-F422 HydrophobicContact CB-CE2 4.22Å; I314-F422 HydrophobicContact CD1-CE2 4.05Å; I314-F422 HydrophobicContact CG1-CD2 3.93Å; I314-F422 HydrophobicContact CG1-CE2 3.74Å; I314-F422 HydrophobicContact CG2-CD2 4.01Å; I314-F422 HydrophobicContact CG2-CE1 4.34Å; I314-F422 HydrophobicContact CG2-CE2 3.72Å; I314-F422 HydrophobicContact CG2-CG 4.46Å; I314-F422 HydrophobicContact CG2-CZ 3.91Å
315	C	95.1	Very high	92.8	Very high	6 Å²	6	13.5 Å²	13.5	4%	0.041	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	120.3	166	-170.7	0	0	0	0	110	F141 F307 A308 F425 S427	F141-C315 HydrophobicContact CE2-CB 4.23Å; F307-C315 WeakPolarHBondContact O-CA 3.5Å; A308-C315 HydrophobicContact CB-CB 4.49Å; C315-F425 HydrophobicContact CB-CB 4.46Å; C315-F425 HydrophobicContact CB-CD1 3.85Å; C315-F425 HydrophobicContact CB-CD2 3.61Å; C315-F425 HydrophobicContact CB-CE1 3.9Å; C315-F425 HydrophobicContact CB-CE2 3.68Å; C315-F425 HydrophobicContact CB-CG 3.71Å; C315-F425 HydrophobicContact CB-CZ 3.82Å; C315-S427 PolarHBondContact O-OG 2.87Å; C315-S427 PolarHBondContact SG-OG 2.95Å
316	F	94.7	Very high	92.6	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	147.4	177.6	64.2	-94	0	0	0	114.2	I256 F307 I314 S320 F321 F367 I371 L375 F422 S427	I256-F316 HydrophobicContact CD1-CE1 3.72Å; I256-F316 HydrophobicContact CD1-CZ 4.1Å; F307-F316 HydrophobicContact CB-CD2 4.22Å; F307-F316 HydrophobicContact CB-CE1 4.09Å; F307-F316 HydrophobicContact CB-CE2 3.72Å; F307-F316 HydrophobicContact CB-CZ 3.65Å; F307-F316 HydrophobicContact CD2-CD2 4.16Å; F307-F316 AromaticContact CD2-CE2 3.68Å; F307-F316 HydrophobicContact CD2-CE2 3.68Å; F307-F316 HydrophobicContact CD2-CZ 4.37Å; F307-F316 AromaticContact CG-CE2 3.97Å; F307-F316 HydrophobicContact CG-CE2 3.97Å; F307-F316 HydrophobicContact CG-CZ 4.22Å; F307-F316 PolarHBondContact N-O 2.9Å; F307-F316 PolarHBondContact O-N 3.19Å; I314-F316 HydrophobicContact CG2-CD1 3.71Å; I314-F316 HydrophobicContact CG2-CE1 3.84Å; F316-S320 WeakPolarHBondContact CA-OG 3.27Å; F316-S320 WeakPolarHBondContact CB-OG 3.18Å; F316-F321 HydrophobicContact CB-CD2 4.15Å; F316-F321 HydrophobicContact CD1-CD2 4.16Å; F316-F321 HydrophobicContact CD1-CE2 4.48Å; F316-F321 HydrophobicContact CD2-CB 4.4Å; F316-F321 AromaticContact CD2-CD2 3.77Å; F316-F321 HydrophobicContact CD2-CD2 3.77Å; F316-F321 HydrophobicContact CE2-CD2 4.17Å; F316-F321 AromaticContact CG-CD2 3.77Å; F316-F321 HydrophobicContact CG-CD2 3.77Å; F316-F367 HydrophobicContact CE2-CZ 4.49Å; F316-I371 HydrophobicContact CE2-CG2 3.56Å; F316-I371 HydrophobicContact CZ-CG2 3.62Å; F316-L375 HydrophobicContact CE1-CD1 3.81Å; F316-L375 HydrophobicContact CZ-CD1 4.29Å; F316-F422 HydrophobicContact CD1-CE1 4.04Å; F316-S427 WeakPolarHBondContact CA-OG 3.43Å; F316-S427 PolarHBondContact N-OG 2.84Å
317	S	94.2	Very high	92.2	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.028	11%	0.114	C	C	.	.			trans	-103.7	170.7	160.6	71.9	0	0	0	0	108.7	V319 S320 F321	S317-V319 PolarHBondContact O-N 3.4Å; S317-V319 PolarHBondContact OG-N 3.32Å; S317-S320 PolarHBondContact N-OG 2.88Å; S317-S320 PolarHBondContact O-N 2.7Å; S317-S320 PolarHBondContact O-OG 2.9Å; S317-S320 PolarHBondContact OG-N 3.15Å; S317-S320 VanDerWaalsContact OG-N 3.16Å; S317-F321 PolarHBondContact O-N 2.71Å; S317-F321 VanDerWaalsContact O-N 3.07Å
318	L	94.4	Very high	91.8	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-31.7	173.6	-58.1	-174.7	0	0	0	112.2	P300 L301 A322 A338 L341 W342 F367 I371	P300-L318 VanDerWaalsContact C-CD1 3.5Å; P300-L318 HydrophobicContact CB-CD1 3.83Å; P300-L318 HydrophobicContact CB-CD2 4.26Å; P300-L318 HydrophobicContact CB-CG 3.88Å; P300-L318 VanDerWaalsContact O-CD1 3.24Å; P300-L318 WeakPolarHBondContact O-CD1 3.3Å; P300-L318 WeakPolarHBondContact O-CG 3.41Å; L301-L318 HydrophobicContact CD2-CD1 3.93Å; L301-L318 HydrophobicContact CG-CD1 4.46Å; L318-A322 VanDerWaalsContact O-CB 3.25Å; L318-A322 WeakPolarHBondContact O-CB 3.38Å; L318-A322 PolarHBondContact O-N 3.49Å; L318-A322 VanDerWaalsContact O-N 3.1Å; L318-A338 HydrophobicContact CB-CB 3.9Å; L318-A338 WeakPolarHBondContact CD1-O 3.46Å; L318-A338 WeakPolarHBondContact O-CB 3.22Å; L318-L341 HydrophobicContact CD1-CB 4.45Å; L318-L341 HydrophobicContact CD2-CB 4.1Å; L318-W342 HydrophobicContact CD1-CB 3.6Å; L318-W342 HydrophobicContact CD2-CB 4.42Å; L318-F367 HydrophobicContact CD2-CD2 4.02Å; L318-F367 HydrophobicContact CD2-CE2 3.86Å; L318-I371 HydrophobicContact CD2-CD1 3.89Å
319	V	92.3	Very high	91.4	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-73	-47.3	-179.9	-179.6	0	0	0	0	110.7	S317 F321 A322 H323 A338	S317-V319 PolarHBondContact O-N 3.4Å; S317-V319 PolarHBondContact OG-N 3.32Å; V319-F321 PolarHBondContact O-N 2.81Å; V319-A322 CarbonylContact O-C 3.55Å; V319-A322 PolarHBondContact O-N 2.95Å; V319-H323 PolarHBondContact O-CD2 3.41Å; V319-H323 PolarHBondContact O-N 3.27Å; V319-A338 HydrophobicContact CG2-CB 3.91Å
320	S	91.5	Very high	90.7	Very high	11 Å²	11	37.7 Å²	37.7	8%	0.077	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-39.6	179.2	72	0	0	0	0	111.9	F316 S317 A322 H323 L324 S427	F316-S320 WeakPolarHBondContact CA-OG 3.27Å; F316-S320 WeakPolarHBondContact CB-OG 3.18Å; S317-S320 PolarHBondContact N-OG 2.88Å; S317-S320 PolarHBondContact O-N 2.7Å; S317-S320 PolarHBondContact O-OG 2.9Å; S317-S320 PolarHBondContact OG-N 3.15Å; S317-S320 VanDerWaalsContact OG-N 3.16Å; S320-A322 VanDerWaalsContact C-N 3.33Å; S320-A322 PolarHBondContact O-N 3.35Å; S320-H323 WeakPolarHBondContact O-CA 3.45Å; S320-H323 VanDerWaalsContact O-CB 3.31Å; S320-H323 WeakPolarHBondContact O-CB 3.39Å; S320-H323 PolarHBondContact O-N 2.82Å; S320-H323 VanDerWaalsContact O-N 3.1Å; S320-L324 PolarHBondContact O-N 2.96Å; S320-L324 VanDerWaalsContact O-N 3.15Å; S320-S427 WeakPolarHBondContact OG-CB 3.48Å
321	F	92.7	Very high	90.5	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-35.7	175.5	-149.2	-69.6	0	0	0	111.6	F316 S317 V319 H323 L324 Y325 F370 I371 F422	F316-F321 HydrophobicContact CB-CD2 4.15Å; F316-F321 HydrophobicContact CD1-CD2 4.16Å; F316-F321 HydrophobicContact CD1-CE2 4.48Å; F316-F321 HydrophobicContact CD2-CB 4.4Å; F316-F321 AromaticContact CD2-CD2 3.77Å; F316-F321 HydrophobicContact CD2-CD2 3.77Å; F316-F321 HydrophobicContact CE2-CD2 4.17Å; F316-F321 AromaticContact CG-CD2 3.77Å; F316-F321 HydrophobicContact CG-CD2 3.77Å; S317-F321 PolarHBondContact O-N 2.71Å; S317-F321 VanDerWaalsContact O-N 3.07Å; V319-F321 PolarHBondContact O-N 2.81Å; F321-H323 VanDerWaalsContact C-N 3.29Å; F321-H323 PolarHBondContact O-N 3.02Å; F321-L324 PolarHBondContact O-N 3.49Å; F321-Y325 AromaticContact CD1-CD2 3.97Å; F321-Y325 HydrophobicContact CD1-CD2 3.97Å; F321-Y325 AromaticContact CD1-CE2 3.74Å; F321-Y325 HydrophobicContact CD1-CE2 3.74Å; F321-Y325 HydrophobicContact CE1-CD2 4.24Å; F321-Y325 AromaticContact CE1-CE2 3.61Å; F321-Y325 HydrophobicContact CE1-CE2 3.61Å; F321-Y325 WeakPolarHBondContact O-CD2 3.12Å; F321-Y325 PolarHBondContact O-N 3.49Å; F321-F370 VanDerWaalsContact CE1-O 3.26Å; F321-F370 WeakPolarHBondContact CE1-O 3.43Å; F321-I371 HydrophobicContact CB-CD1 4.41Å; F321-I371 HydrophobicContact CD1-CG1 3.84Å; F321-I371 HydrophobicContact CD2-CG1 4.17Å; F321-I371 HydrophobicContact CD2-CG2 4.11Å; F321-I371 HydrophobicContact CE1-CG1 4.03Å; F321-I371 HydrophobicContact CE2-CB 4.41Å; F321-I371 HydrophobicContact CE2-CG1 4.34Å; F321-I371 HydrophobicContact CE2-CG2 3.87Å; F321-I371 HydrophobicContact CG-CD1 4.3Å; F321-I371 HydrophobicContact CG-CG1 3.92Å; F321-I371 HydrophobicContact CZ-CB 4.37Å; F321-I371 HydrophobicContact CZ-CG1 4.27Å; F321-I371 HydrophobicContact CZ-CG2 4.27Å; F321-F422 HydrophobicContact CD2-CE1 4.1Å; F321-F422 AromaticContact CE2-CE1 3.74Å; F321-F422 HydrophobicContact CE2-CE1 3.74Å; F321-F422 HydrophobicContact CE2-CZ 4.29Å
322	A	92.9	Very high	90.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-27.9	172	0	0	0	0	0	112.9	L318 V319 S320 Y325 K326 A334 F337 A338 L341	L318-A322 VanDerWaalsContact O-CB 3.25Å; L318-A322 WeakPolarHBondContact O-CB 3.38Å; L318-A322 PolarHBondContact O-N 3.49Å; L318-A322 VanDerWaalsContact O-N 3.1Å; V319-A322 CarbonylContact O-C 3.55Å; V319-A322 PolarHBondContact O-N 2.95Å; S320-A322 VanDerWaalsContact C-N 3.33Å; S320-A322 PolarHBondContact O-N 3.35Å; A322-Y325 PolarHBondContact O-N 2.89Å; A322-K326 PolarHBondContact O-N 3.37Å; A322-A334 HydrophobicContact CB-CB 3.94Å; A322-A334 WeakPolarHBondContact CB-O 3.41Å; A322-F337 HydrophobicContact CB-CB 4.29Å; A322-F337 HydrophobicContact CB-CD1 3.81Å; A322-F337 HydrophobicContact CB-CG 4.39Å; A322-A338 HydrophobicContact CB-CB 4.23Å; A322-L341 HydrophobicContact CB-CD1 4.24Å
323	H	90.7	Very high	90.3	Very high	39 Å²	39	49.4 Å²	49.4	18%	0.181	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-42.3	170.9	-97.2	-106.7	0	0	0	112.3	V319 S320 F321 Y325 K326 E327 A334	V319-H323 PolarHBondContact O-CD2 3.41Å; V319-H323 PolarHBondContact O-N 3.27Å; S320-H323 WeakPolarHBondContact O-CA 3.45Å; S320-H323 VanDerWaalsContact O-CB 3.31Å; S320-H323 WeakPolarHBondContact O-CB 3.39Å; S320-H323 PolarHBondContact O-N 2.82Å; S320-H323 VanDerWaalsContact O-N 3.1Å; F321-H323 VanDerWaalsContact C-N 3.29Å; F321-H323 PolarHBondContact O-N 3.02Å; H323-Y325 VanDerWaalsContact C-N 3.28Å; H323-Y325 PolarHBondContact O-N 2.98Å; H323-K326 CarbonylContact O-C 3.55Å; H323-K326 WeakPolarHBondContact O-CA 3.22Å; H323-K326 WeakPolarHBondContact O-CB 3.26Å; H323-K326 PolarHBondContact O-N 3.31Å; H323-E327 PolarHBondContact O-N 3.44Å; H323-A334 WeakPolarHBondContact CD2-CB 3.33Å
324	L	89.6	Confident	90.1	Very high	39 Å²	39	49.3 Å²	49.3	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-41.7	173.2	-61.7	174.4	0	0	0	111.8	S320 F321 E327 A328 F421 F422	S320-L324 PolarHBondContact O-N 2.96Å; S320-L324 VanDerWaalsContact O-N 3.15Å; F321-L324 PolarHBondContact O-N 3.49Å; L324-E327 PolarHBondContact O-N 3.24Å; L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 3.02Å; L324-F421 HydrophobicContact CD1-CE1 4.19Å; L324-F421 HydrophobicContact CD1-CZ 4.44Å; L324-F422 HydrophobicContact CD1-CD1 3.95Å; L324-F422 HydrophobicContact CD1-CE1 4.27Å
325	Y	91	Very high	89.8	Confident	40 Å²	40	52 Å²	52	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-35	173	-83.6	-71.2	0	0	0	113.4	F321 A322 H323 Y329 F337 F370	F321-Y325 AromaticContact CD1-CD2 3.97Å; F321-Y325 HydrophobicContact CD1-CD2 3.97Å; F321-Y325 AromaticContact CD1-CE2 3.74Å; F321-Y325 HydrophobicContact CD1-CE2 3.74Å; F321-Y325 HydrophobicContact CE1-CD2 4.24Å; F321-Y325 AromaticContact CE1-CE2 3.61Å; F321-Y325 HydrophobicContact CE1-CE2 3.61Å; F321-Y325 WeakPolarHBondContact O-CD2 3.12Å; F321-Y325 PolarHBondContact O-N 3.49Å; A322-Y325 PolarHBondContact O-N 2.89Å; H323-Y325 VanDerWaalsContact C-N 3.28Å; H323-Y325 PolarHBondContact O-N 2.98Å; Y325-Y329 AromaticContact CD1-CD2 3.95Å; Y325-Y329 HydrophobicContact CD1-CD2 3.95Å; Y325-Y329 AromaticContact CD1-CE2 3.77Å; Y325-Y329 HydrophobicContact CD1-CE2 3.77Å; Y325-Y329 HydrophobicContact CE1-CE2 4.18Å; Y325-Y329 WeakPolarHBondContact O-CB 3.48Å; Y325-Y329 WeakPolarHBondContact O-CD2 3.05Å; Y325-Y329 PolarHBondContact O-N 3.37Å; Y325-Y329 VanDerWaalsContact O-N 3.09Å; Y325-F337 AromaticContact CD2-CE1 3.66Å; Y325-F337 HydrophobicContact CD2-CE1 3.66Å; Y325-F337 HydrophobicContact CD2-CZ 4.35Å; Y325-F337 HydrophobicContact CE2-CE1 4.29Å; Y325-F337 AromaticContact CG-CE1 3.84Å; Y325-F337 HydrophobicContact CG-CE1 3.84Å; Y325-F370 HydrophobicContact CE1-CD1 4.47Å; Y325-F370 HydrophobicContact CE2-CB 4.27Å; Y325-F370 HydrophobicContact CE2-CD1 4.45Å; Y325-F370 WeakPolarHBondContact CE2-O 3.41Å; Y325-F370 PolarHBondContact OH-O 3Å
326	K	90.5	Very high	89.5	Confident	90 Å²	90	54.1 Å²	54.1	39%	0.391	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-40	175.5	177.5	-178.2	175.5	-165.8	0	111.4	A322 H323 G330 I332 A334	A322-K326 PolarHBondContact O-N 3.37Å; H323-K326 CarbonylContact O-C 3.55Å; H323-K326 WeakPolarHBondContact O-CA 3.22Å; H323-K326 WeakPolarHBondContact O-CB 3.26Å; H323-K326 PolarHBondContact O-N 3.31Å; K326-G330 WeakPolarHBondContact O-CA 3.38Å; K326-G330 PolarHBondContact O-N 3.2Å; K326-I332 WeakPolarHBondContact CD-O 3.42Å; K326-I332 VanDerWaalsContact CG-O 3.29Å; K326-I332 WeakPolarHBondContact CG-O 3.47Å; K326-A334 HydrophobicContact CD-CB 4.35Å
327	E	87.4	Confident	89.4	Confident	138 Å²	138	54.8 Å²	54.8	65%	0.645	29%	0.291	S	S	*	.	H	α-helix	trans	-68.5	-41.9	177.3	-73	170.2	-168	0	0	111.7	H323 L324	H323-E327 PolarHBondContact O-N 3.44Å; L324-E327 PolarHBondContact O-N 3.24Å
328	A	86.8	Confident	89.3	Confident	70 Å²	70	54.8 Å²	54.8	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-69.7	-31.8	178.3	0	0	0	0	0	114.5	L324	L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 3.02Å
329	Y	87.4	Confident	89.2	Confident	160 Å²	160	62.3 Å²	62.3	63%	0.627	32%	0.319	S	S	*	.	H	α-helix	trans	-125.7	-5.2	-170.5	-59.9	-77	0	0	0	115.8	Y325 N331	Y325-Y329 AromaticContact CD1-CD2 3.95Å; Y325-Y329 HydrophobicContact CD1-CD2 3.95Å; Y325-Y329 AromaticContact CD1-CE2 3.77Å; Y325-Y329 HydrophobicContact CD1-CE2 3.77Å; Y325-Y329 HydrophobicContact CE1-CE2 4.18Å; Y325-Y329 WeakPolarHBondContact O-CB 3.48Å; Y325-Y329 WeakPolarHBondContact O-CD2 3.05Å; Y325-Y329 PolarHBondContact O-N 3.37Å; Y325-Y329 VanDerWaalsContact O-N 3.09Å; Y329-N331 PolarHBondContact O-N 2.83Å
330	G	80.8	Confident	89.2	Confident	49 Å²	49	64.8 Å²	64.8	51%	0.505	33%	0.325	S	S	.	.	S	Bend	trans	70.4	-55	174.4	0	0	0	0	0	116.3	K326 I332	K326-G330 WeakPolarHBondContact O-CA 3.38Å; K326-G330 PolarHBondContact O-N 3.2Å; G330-I332 VanDerWaalsContact C-N 3.27Å; G330-I332 PolarHBondContact O-N 2.94Å; G330-I332 VanDerWaalsContact O-N 3.09Å
331	N	82.8	Confident	89.3	Confident	170 Å²	170	64.2 Å²	64.2	91%	0.909	32%	0.321	S	S	*	.	S	Bend	trans	-85.1	30.6	-166.4	-76	-23.3	0	0	0	114.8	Y329	Y329-N331 PolarHBondContact O-N 2.83Å
332	I	86.4	Confident	89.3	Confident	52 Å²	52	64.9 Å²	64.9	27%	0.267	32%	0.323	S	S	.	.			trans	-122.7	125.7	-176.8	-55.9	177	0	0	0	110.1	K326 G330 A334 F337	K326-I332 WeakPolarHBondContact CD-O 3.42Å; K326-I332 VanDerWaalsContact CG-O 3.29Å; K326-I332 WeakPolarHBondContact CG-O 3.47Å; G330-I332 VanDerWaalsContact C-N 3.27Å; G330-I332 PolarHBondContact O-N 2.94Å; G330-I332 VanDerWaalsContact O-N 3.09Å; I332-A334 PolarHBondContact O-N 3.31Å; I332-F337 HydrophobicContact CG2-CB 3.89Å; I332-F337 HydrophobicContact CG2-CD1 3.81Å; I332-F337 HydrophobicContact CG2-CG 4.05Å
333	E	89.1	Confident	89.1	Confident	115 Å²	115	65.5 Å²	65.5	54%	0.537	33%	0.33	S	S	.	.			trans	-79.6	112	170	-165.5	-156.9	138.8	0	0	109.8	S335 E336 F337	E333-S335 PolarHBondContact O-N 2.96Å; E333-S335 PolarHBondContact OE1-OG 3.22Å; E333-E336 HydrophobicContact CB-CB 4.33Å; E333-E336 HydrophobicContact CG-CB 4.45Å; E333-E336 PolarHBondContact O-N 3.32Å; E333-E336 WeakPolarHBondContact OE1-CG 3.41Å; E333-F337 WeakPolarHBondContact O-CB 3.48Å; E333-F337 PolarHBondContact O-N 2.95Å
334	A	87.4	Confident	89	Confident	3 Å²	3	66.6 Å²	66.6	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-39.9	-171.2	0	0	0	0	0	113.5	A322 H323 K326 I332 F337 A338	A322-A334 HydrophobicContact CB-CB 3.94Å; A322-A334 WeakPolarHBondContact CB-O 3.41Å; H323-A334 WeakPolarHBondContact CD2-CB 3.33Å; K326-A334 HydrophobicContact CD-CB 4.35Å; I332-A334 PolarHBondContact O-N 3.31Å; A334-F337 PolarHBondContact O-N 3.13Å; A334-A338 VanDerWaalsContact O-CB 3.24Å; A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 3.37Å
335	S	88.1	Confident	89.2	Confident	57 Å²	57	66.2 Å²	66.2	40%	0.399	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-53.7	175.8	26.1	0	0	0	0	112.8	E333 F337 A338 R339	E333-S335 PolarHBondContact O-N 2.96Å; E333-S335 PolarHBondContact OE1-OG 3.22Å; S335-F337 VanDerWaalsContact C-N 3.31Å; S335-F337 PolarHBondContact O-N 3.34Å; S335-A338 PolarHBondContact O-N 3.48Å; S335-R339 WeakPolarHBondContact O-CG 3.4Å; S335-R339 PolarHBondContact O-N 2.95Å
336	E	89.7	Confident	89.3	Confident	50 Å²	50	65.6 Å²	65.6	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-28.7	178.7	-89.3	-66.6	115.1	0	0	112.9	E333 R339 R340	E333-E336 HydrophobicContact CB-CB 4.33Å; E333-E336 HydrophobicContact CG-CB 4.45Å; E333-E336 PolarHBondContact O-N 3.32Å; E333-E336 WeakPolarHBondContact OE1-CG 3.41Å; E336-R339 WeakPolarHBondContact OE1-CD 3.17Å; E336-R339 IonicContact OE1-CZ 2.67Å; E336-R339 IonicContact OE1-NE 3.27Å; E336-R339 IonicContact OE1-NH1 2.7Å; E336-R339 PolarHBondContact OE1-NH1 3.15Å; E336-R340 PolarHBondContact O-NH1 2.78Å; E336-R340 IonicContact OE2-CZ 2.75Å; E336-R340 IonicContact OE2-NH1 3.32Å; E336-R340 PolarHBondContact OE2-NH1 2.84Å; E336-R340 IonicContact OE2-NH2 3.16Å; E336-R340 PolarHBondContact OE2-NH2 3.26Å
337	F	91.6	Very high	89.4	Confident	16 Å²	16	62.9 Å²	62.9	7%	0.07	32%	0.32	C	S	.	.	H	α-helix	trans	-72.7	-46.9	173.1	-174.7	-150.1	0	0	0	111.6	A322 Y325 I332 E333 A334 S335 R339 R340 L341 F354 F370	A322-F337 HydrophobicContact CB-CB 4.29Å; A322-F337 HydrophobicContact CB-CD1 3.81Å; A322-F337 HydrophobicContact CB-CG 4.39Å; Y325-F337 AromaticContact CD2-CE1 3.66Å; Y325-F337 HydrophobicContact CD2-CE1 3.66Å; Y325-F337 HydrophobicContact CD2-CZ 4.35Å; Y325-F337 HydrophobicContact CE2-CE1 4.29Å; Y325-F337 AromaticContact CG-CE1 3.84Å; Y325-F337 HydrophobicContact CG-CE1 3.84Å; I332-F337 HydrophobicContact CG2-CB 3.89Å; I332-F337 HydrophobicContact CG2-CD1 3.81Å; I332-F337 HydrophobicContact CG2-CG 4.05Å; E333-F337 WeakPolarHBondContact O-CB 3.48Å; E333-F337 PolarHBondContact O-N 2.95Å; A334-F337 PolarHBondContact O-N 3.13Å; S335-F337 VanDerWaalsContact C-N 3.31Å; S335-F337 PolarHBondContact O-N 3.34Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-R339 PolarHBondContact O-N 3.11Å; F337-R340 WeakPolarHBondContact O-CA 3.39Å; F337-R340 PolarHBondContact O-N 3.1Å; F337-L341 HydrophobicContact CD1-CD1 4.36Å; F337-L341 HydrophobicContact CD2-CD2 4.21Å; F337-L341 HydrophobicContact CD2-CG 4.17Å; F337-L341 HydrophobicContact CE1-CD1 4.28Å; F337-L341 HydrophobicContact CE1-CD2 4.4Å; F337-L341 HydrophobicContact CE2-CD1 4.48Å; F337-L341 HydrophobicContact CE2-CD2 3.55Å; F337-L341 HydrophobicContact CE2-CG 4.02Å; F337-L341 HydrophobicContact CZ-CD1 4.35Å; F337-L341 HydrophobicContact CZ-CD2 3.68Å; F337-L341 HydrophobicContact CZ-CG 4.29Å; F337-L341 PolarHBondContact O-N 3.39Å; F337-F354 HydrophobicContact CD2-CE2 4.38Å; F337-F354 AromaticContact CD2-CZ 3.82Å; F337-F354 HydrophobicContact CD2-CZ 3.82Å; F337-F354 HydrophobicContact CE2-CE1 4.17Å; F337-F354 AromaticContact CE2-CZ 3.61Å; F337-F354 HydrophobicContact CE2-CZ 3.61Å; F337-F370 HydrophobicContact CZ-CB 4.49Å; F337-F370 AromaticContact CZ-CD1 3.96Å; F337-F370 HydrophobicContact CZ-CD1 3.96Å; F337-F370 HydrophobicContact CZ-CE1 4.33Å; F337-F370 HydrophobicContact CZ-CG 4.13Å
338	A	92	Very high	89.5	Confident	5 Å²	5	57.9 Å²	57.9	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-54.4	-42.6	178.6	0	0	0	0	0	112.9	L318 V319 A322 A334 S335 R340 L341	L318-A338 HydrophobicContact CB-CB 3.9Å; L318-A338 WeakPolarHBondContact CD1-O 3.46Å; L318-A338 WeakPolarHBondContact O-CB 3.22Å; V319-A338 HydrophobicContact CG2-CB 3.91Å; A322-A338 HydrophobicContact CB-CB 4.23Å; A334-A338 VanDerWaalsContact O-CB 3.24Å; A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 3.37Å; S335-A338 PolarHBondContact O-N 3.48Å; A338-R340 PolarHBondContact O-N 3.5Å; A338-L341 PolarHBondContact O-N 3Å
339	R	91.7	Very high	89.5	Confident	161 Å²	161	61.5 Å²	61.5	61%	0.608	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.7	173.8	-75.3	173.8	172.6	170.7	-1.3	115	L301 S335 E336 F337	L301-R339 WeakPolarHBondContact CD2-O 3.4Å; S335-R339 WeakPolarHBondContact O-CG 3.4Å; S335-R339 PolarHBondContact O-N 2.95Å; E336-R339 WeakPolarHBondContact OE1-CD 3.17Å; E336-R339 IonicContact OE1-CZ 2.67Å; E336-R339 IonicContact OE1-NE 3.27Å; E336-R339 IonicContact OE1-NH1 2.7Å; E336-R339 PolarHBondContact OE1-NH1 3.15Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-R339 PolarHBondContact O-N 3.11Å
340	R	92.8	Very high	89.6	Confident	90 Å²	90	63.3 Å²	63.3	34%	0.34	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-1.6	-178.2	-57.5	-178.7	177.2	95.8	1.7	113.1	E336 F337 A338 F354 T366	E336-R340 PolarHBondContact O-NH1 2.78Å; E336-R340 IonicContact OE2-CZ 2.75Å; E336-R340 IonicContact OE2-NH1 3.32Å; E336-R340 PolarHBondContact OE2-NH1 2.84Å; E336-R340 IonicContact OE2-NH2 3.16Å; E336-R340 PolarHBondContact OE2-NH2 3.26Å; F337-R340 WeakPolarHBondContact O-CA 3.39Å; F337-R340 PolarHBondContact O-N 3.1Å; A338-R340 PolarHBondContact O-N 3.5Å; R340-F354 HydrophobicContact CB-CD1 4.25Å; R340-F354 HydrophobicContact CB-CD2 4.27Å; R340-F354 HydrophobicContact CB-CG 4.1Å; R340-F354 HydrophobicContact CG-CD2 4.41Å; R340-F354 HydrophobicContact CG-CG 4.49Å; R340-T366 VanDerWaalsContact O-CB 3.3Å; R340-T366 WeakPolarHBondContact O-CB 3.42Å; R340-T366 WeakPolarHBondContact O-CG2 3.17Å; R340-T366 PolarHBondContact O-OG1 3.28Å
341	L	93.2	Very high	90	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-85.1	-8.2	-177	-76	177.9	0	0	0	114.6	L318 A322 F337 A338 F367 F370 I371	L318-L341 HydrophobicContact CD1-CB 4.45Å; L318-L341 HydrophobicContact CD2-CB 4.1Å; A322-L341 HydrophobicContact CB-CD1 4.24Å; F337-L341 HydrophobicContact CD1-CD1 4.36Å; F337-L341 HydrophobicContact CD2-CD2 4.21Å; F337-L341 HydrophobicContact CD2-CG 4.17Å; F337-L341 HydrophobicContact CE1-CD1 4.28Å; F337-L341 HydrophobicContact CE1-CD2 4.4Å; F337-L341 HydrophobicContact CE2-CD1 4.48Å; F337-L341 HydrophobicContact CE2-CD2 3.55Å; F337-L341 HydrophobicContact CE2-CG 4.02Å; F337-L341 HydrophobicContact CZ-CD1 4.35Å; F337-L341 HydrophobicContact CZ-CD2 3.68Å; F337-L341 HydrophobicContact CZ-CG 4.29Å; F337-L341 PolarHBondContact O-N 3.39Å; A338-L341 PolarHBondContact O-N 3Å; L341-F367 WeakPolarHBondContact O-CA 3.33Å; L341-F367 WeakPolarHBondContact O-CB 3.16Å; L341-F367 WeakPolarHBondContact O-CD2 3.26Å; L341-F367 PolarHBondContact O-N 3.22Å; L341-F367 VanDerWaalsContact O-N 3.13Å; L341-F370 HydrophobicContact CD2-CB 3.74Å; L341-F370 HydrophobicContact CD2-CD2 4.33Å; L341-F370 HydrophobicContact CD2-CG 4.22Å; L341-I371 HydrophobicContact CB-CD1 4.43Å; L341-I371 HydrophobicContact CD1-CD1 4.25Å
342	W	93.2	Very high	90.2	Very high	19 Å²	19	66.2 Å²	66.2	7%	0.072	30%	0.304	C	S	.	.	S	Bend	trans	-128.8	152.8	-178.9	-178.2	-95.2	0	0	0	113.4	Y271 R275 L278 P300 L301 F307 L318 I345 F367	Y271-W342 HydrophobicContact CD2-CE3 4.45Å; Y271-W342 HydrophobicContact CD2-CH2 4.08Å; Y271-W342 AromaticContact CD2-CZ3 3.86Å; Y271-W342 HydrophobicContact CD2-CZ3 3.86Å; Y271-W342 HydrophobicContact CE2-CD2 4.24Å; Y271-W342 AromaticContact CE2-CE3 3.88Å; Y271-W342 HydrophobicContact CE2-CE3 3.88Å; Y271-W342 AromaticContact CE2-CH2 3.67Å; Y271-W342 HydrophobicContact CE2-CH2 3.67Å; Y271-W342 HydrophobicContact CE2-CZ2 4.04Å; Y271-W342 AromaticContact CE2-CZ3 3.59Å; Y271-W342 HydrophobicContact CE2-CZ3 3.59Å; R275-W342 HydrophobicContact CB-CH2 4.26Å; R275-W342 HydrophobicContact CB-CZ2 4.08Å; R275-W342 HydrophobicContact CG-CZ2 4.39Å; L278-W342 HydrophobicContact CD1-CH2 3.67Å; L278-W342 HydrophobicContact CD1-CZ2 3.38Å; P300-W342 HydrophobicContact CB-CB 4.46Å; P300-W342 HydrophobicContact CB-CD2 4.04Å; P300-W342 HydrophobicContact CB-CE3 4.28Å; P300-W342 HydrophobicContact CB-CG 4.1Å; P300-W342 HydrophobicContact CG-CD2 3.78Å; P300-W342 HydrophobicContact CG-CE3 4.01Å; P300-W342 HydrophobicContact CG-CG 4.25Å; P300-W342 HydrophobicContact CG-CH2 4.4Å; P300-W342 HydrophobicContact CG-CZ2 4.18Å; P300-W342 HydrophobicContact CG-CZ3 4.31Å; L301-W342 HydrophobicContact CD2-CB 3.84Å; L301-W342 HydrophobicContact CG-CB 3.94Å; L301-W342 HydrophobicContact CG-CG 4.34Å; F307-W342 HydrophobicContact CE1-CZ3 4.33Å; F307-W342 HydrophobicContact CE2-CZ3 4.43Å; F307-W342 HydrophobicContact CZ-CE3 4.2Å; F307-W342 HydrophobicContact CZ-CH2 4.1Å; F307-W342 AromaticContact CZ-CZ3 3.61Å; F307-W342 HydrophobicContact CZ-CZ3 3.61Å; L318-W342 HydrophobicContact CD1-CB 3.6Å; L318-W342 HydrophobicContact CD2-CB 4.42Å; W342-I345 WeakPolarHBondContact O-CD1 3.33Å; W342-F367 HydrophobicContact CE3-CB 4.43Å; W342-F367 HydrophobicContact CE3-CD1 4.39Å; W342-F367 AromaticContact CE3-CD2 3.46Å; W342-F367 HydrophobicContact CE3-CD2 3.46Å; W342-F367 VanDerWaalsContact CE3-CD2 3.46Å; W342-F367 AromaticContact CE3-CE2 3.67Å; W342-F367 HydrophobicContact CE3-CE2 3.67Å; W342-F367 AromaticContact CE3-CG 3.83Å; W342-F367 HydrophobicContact CE3-CG 3.83Å; W342-F367 HydrophobicContact CE3-CZ 4.22Å; W342-F367 HydrophobicContact CZ3-CD1 4.1Å; W342-F367 AromaticContact CZ3-CD2 3.9Å; W342-F367 HydrophobicContact CZ3-CD2 3.9Å; W342-F367 HydrophobicContact CZ3-CE1 4.02Å; W342-F367 AromaticContact CZ3-CE2 3.82Å; W342-F367 HydrophobicContact CZ3-CE2 3.82Å; W342-F367 HydrophobicContact CZ3-CG 4.02Å; W342-F367 AromaticContact CZ3-CZ 3.88Å; W342-F367 HydrophobicContact CZ3-CZ 3.88Å
343	G	89.3	Confident	90.4	Very high	13 Å²	13	70.7 Å²	70.7	13%	0.134	32%	0.321	C	S	.	.	S	Bend	trans	88.4	-164.8	-179.9	0	0	0	0	0	114	Y271 I345	Y271-G343 WeakPolarHBondContact OH-CA 3.49Å; G343-I345 PolarHBondContact O-N 3.26Å
344	D	89.2	Confident	90.5	Very high	62 Å²	62	68.1 Å²	68.1	33%	0.332	31%	0.308	S	S	.	.	S	Bend	trans	-79.2	60.6	179	-64.2	-69.4	0	0	0	111.8	R275 Y346 R365	R275-D344 IonicContact CZ-OD2 2.97Å; R275-D344 IonicContact NH1-OD1 3.73Å; R275-D344 IonicContact NH1-OD2 3.33Å; R275-D344 PolarHBondContact NH1-OD2 3.44Å; R275-D344 IonicContact NH2-OD2 3.8Å; D344-Y346 HydrophobicContact CB-CE2 4.45Å; D344-R365 IonicContact OD1-CZ 3.68Å; D344-R365 IonicContact OD1-NE 2.74Å; D344-R365 PolarHBondContact OD1-NE 3.38Å; D344-R365 IonicContact OD1-NH2 2.72Å; D344-R365 PolarHBondContact OD1-NH2 3.18Å
345	I	92.4	Very high	90.7	Very high	30 Å²	30	70.2 Å²	70.2	15%	0.154	32%	0.32	C	S	.	.			trans	-115.8	138.4	174.9	-55.1	178.5	0	0	0	107.9	W342 G343 F354 R365 T366	W342-I345 WeakPolarHBondContact O-CD1 3.33Å; G343-I345 PolarHBondContact O-N 3.26Å; I345-F354 HydrophobicContact CG2-CB 3.95Å; I345-F354 HydrophobicContact CG2-CD1 4.28Å; I345-R365 CarbonylContact O-C 3.59Å; I345-R365 WeakPolarHBondContact O-CA 2.95Å; I345-T366 HydrophobicContact CB-CG2 4.26Å; I345-T366 HydrophobicContact CG2-CG2 3.83Å; I345-T366 PolarHBondContact O-N 2.87Å; I345-T366 PolarHBondContact O-OG1 2.95Å
346	Y	93.5	Very high	90.7	Very high	27 Å²	27	77.9 Å²	77.9	11%	0.106	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.7	-177	-55.9	-93.5	0	0	0	109.5	D344 F354 V355 A358 T363 R365	D344-Y346 HydrophobicContact CB-CE2 4.45Å; Y346-F354 CarbonylContact O-C 3.24Å; Y346-F354 WeakPolarHBondContact O-CA 3.3Å; Y346-V355 PolarHBondContact N-O 3.03Å; Y346-V355 PolarHBondContact O-N 3.24Å; Y346-A358 HydrophobicContact CD1-CB 3.86Å; Y346-A358 HydrophobicContact CD2-CB 4.18Å; Y346-A358 HydrophobicContact CE1-CB 3.8Å; Y346-A358 HydrophobicContact CE2-CB 4.16Å; Y346-A358 HydrophobicContact CG-CB 4.06Å; Y346-T363 HydrophobicContact CD1-CG2 4.44Å; Y346-T363 WeakPolarHBondContact CD1-O 3.45Å; Y346-T363 WeakPolarHBondContact CE1-O 3.34Å; Y346-R365 HydrophobicContact CD1-CG 4.34Å; Y346-R365 HydrophobicContact CE1-CG 3.71Å; Y346-R365 PolarHBondContact OH-NH2 2.99Å
347	F	92.4	Very high	90.5	Very high	33 Å²	33	84.3 Å²	84.3	15%	0.145	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.5	176.6	179.4	-101.7	0	0	0	111.1	K349 R352 F354 T366 F370	F347-K349 HydrophobicContact CD1-CG 4.14Å; F347-K349 HydrophobicContact CE1-CG 4.28Å; F347-K349 PolarHBondContact O-N 2.78Å; F347-R352 HydrophobicContact CZ-CB 4.28Å; F347-F354 HydrophobicContact CB-CD1 4.23Å; F347-F354 HydrophobicContact CB-CE1 4.18Å; F347-F354 AromaticContact CD2-CD1 3.89Å; F347-F354 HydrophobicContact CD2-CD1 3.89Å; F347-F354 AromaticContact CD2-CE1 3.59Å; F347-F354 HydrophobicContact CD2-CE1 3.59Å; F347-F354 HydrophobicContact CD2-CE2 4.45Å; F347-F354 HydrophobicContact CD2-CG 4.46Å; F347-F354 AromaticContact CD2-CZ 3.88Å; F347-F354 HydrophobicContact CD2-CZ 3.88Å; F347-F354 HydrophobicContact CE2-CE1 4.44Å; F347-F354 HydrophobicContact CE2-CZ 4.3Å; F347-F354 HydrophobicContact CG-CE1 4.29Å; F347-T366 HydrophobicContact CB-CG2 4.34Å; F347-F370 HydrophobicContact CB-CE2 3.73Å; F347-F370 HydrophobicContact CB-CZ 4.27Å; F347-F370 HydrophobicContact CD1-CE2 4.27Å; F347-F370 AromaticContact CD1-CZ 3.97Å; F347-F370 HydrophobicContact CD1-CZ 3.97Å; F347-F370 HydrophobicContact CD2-CE2 4.32Å; F347-F370 HydrophobicContact CD2-CZ 4.18Å; F347-F370 HydrophobicContact CE1-CZ 4.32Å; F347-F370 AromaticContact CG-CE2 3.86Å; F347-F370 HydrophobicContact CG-CE2 3.86Å; F347-F370 AromaticContact CG-CZ 3.88Å; F347-F370 HydrophobicContact CG-CZ 3.88Å
348	N	90	Very high	90.2	Very high	33 Å²	33	85.7 Å²	85.7	18%	0.176	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.8	177	-177.3	-25.7	0	0	0	109.8	K350 T351 R352 K353 V355 P359	N348-K350 PolarHBondContact O-N 3.17Å; N348-K350 VanDerWaalsContact O-N 3.13Å; N348-K350 WeakPolarHBondContact OD1-CB 3.39Å; N348-K350 PolarHBondContact OD1-N 2.7Å; N348-T351 WeakPolarHBondContact CB-OG1 3.39Å; N348-T351 PolarHBondContact O-N 3.34Å; N348-T351 PolarHBondContact OD1-N 2.93Å; N348-R352 WeakPolarHBondContact O-CA 3.35Å; N348-R352 PolarHBondContact O-N 3.47Å; N348-K353 PolarHBondContact N-O 3.13Å; N348-V355 HydrophobicContact CB-CG2 4.18Å; N348-P359 HydrophobicContact CB-CG 4.3Å
349	K	87	Confident	89.6	Confident	147 Å²	147	87.9 Å²	87.9	64%	0.639	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.7	-179.7	-63.4	179.9	-178.6	176.4	0	113.6	F347	F347-K349 HydrophobicContact CD1-CG 4.14Å; F347-K349 HydrophobicContact CE1-CG 4.28Å; F347-K349 PolarHBondContact O-N 2.78Å
350	K	88.7	Confident	89.2	Confident	198 Å²	198	85.5 Å²	85.5	86%	0.861	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-43.1	179.5	-63.4	-177.5	178.7	178.7	0	112.6	N348	N348-K350 PolarHBondContact O-N 3.17Å; N348-K350 VanDerWaalsContact O-N 3.13Å; N348-K350 WeakPolarHBondContact OD1-CB 3.39Å; N348-K350 PolarHBondContact OD1-N 2.7Å
351	T	89.2	Confident	88.6	Confident	76 Å²	76	87 Å²	87	47%	0.466	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.5	-177.7	62.1	0	0	0	0	113.4	N348 K353	N348-T351 WeakPolarHBondContact CB-OG1 3.39Å; N348-T351 PolarHBondContact O-N 3.34Å; N348-T351 PolarHBondContact OD1-N 2.93Å; T351-K353 PolarHBondContact O-N 2.92Å; T351-K353 PolarHBondContact OG1-N 3Å
352	R	87.6	Confident	88.2	Confident	204 Å²	204	95.3 Å²	95.3	77%	0.77	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	28.4	-170.9	-59.4	-173.9	66.2	147.8	1.2	113.4	F347 N348	F347-R352 HydrophobicContact CZ-CB 4.28Å; N348-R352 WeakPolarHBondContact O-CA 3.35Å; N348-R352 PolarHBondContact O-N 3.47Å
353	K	89.6	Confident	87.9	Confident	146 Å²	146	95.7 Å²	95.7	64%	0.635	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.6	180	-70.8	-179.5	-178.2	-175.3	0	111.5	N348 T351	N348-K353 PolarHBondContact N-O 3.13Å; T351-K353 PolarHBondContact O-N 2.92Å; T351-K353 PolarHBondContact OG1-N 3Å
354	F	91.3	Very high	87.9	Confident	61 Å²	61	96.4 Å²	96.4	27%	0.268	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.5	169.9	-59.2	-77.8	0	0	0	110.2	F337 R340 I345 Y346 F347 T366 F370	F337-F354 HydrophobicContact CD2-CE2 4.38Å; F337-F354 AromaticContact CD2-CZ 3.82Å; F337-F354 HydrophobicContact CD2-CZ 3.82Å; F337-F354 HydrophobicContact CE2-CE1 4.17Å; F337-F354 AromaticContact CE2-CZ 3.61Å; F337-F354 HydrophobicContact CE2-CZ 3.61Å; R340-F354 HydrophobicContact CB-CD1 4.25Å; R340-F354 HydrophobicContact CB-CD2 4.27Å; R340-F354 HydrophobicContact CB-CG 4.1Å; R340-F354 HydrophobicContact CG-CD2 4.41Å; R340-F354 HydrophobicContact CG-CG 4.49Å; I345-F354 HydrophobicContact CG2-CB 3.95Å; I345-F354 HydrophobicContact CG2-CD1 4.28Å; Y346-F354 CarbonylContact O-C 3.24Å; Y346-F354 WeakPolarHBondContact O-CA 3.3Å; F347-F354 HydrophobicContact CB-CD1 4.23Å; F347-F354 HydrophobicContact CB-CE1 4.18Å; F347-F354 AromaticContact CD2-CD1 3.89Å; F347-F354 HydrophobicContact CD2-CD1 3.89Å; F347-F354 AromaticContact CD2-CE1 3.59Å; F347-F354 HydrophobicContact CD2-CE1 3.59Å; F347-F354 HydrophobicContact CD2-CE2 4.45Å; F347-F354 HydrophobicContact CD2-CG 4.46Å; F347-F354 AromaticContact CD2-CZ 3.88Å; F347-F354 HydrophobicContact CD2-CZ 3.88Å; F347-F354 HydrophobicContact CE2-CE1 4.44Å; F347-F354 HydrophobicContact CE2-CZ 4.3Å; F347-F354 HydrophobicContact CG-CE1 4.29Å; F354-T366 HydrophobicContact CD1-CG2 3.52Å; F354-T366 HydrophobicContact CE1-CG2 3.7Å; F354-F370 HydrophobicContact CE1-CE2 4.19Å
355	V	92.2	Very high	88.1	Confident	46 Å²	46	95.3 Å²	95.3	28%	0.279	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.8	-177.3	-69.6	0	0	0	0	109.9	Y346 N348 K357	Y346-V355 PolarHBondContact N-O 3.03Å; Y346-V355 PolarHBondContact O-N 3.24Å; N348-V355 HydrophobicContact CB-CG2 4.18Å; V355-K357 VanDerWaalsContact CG2-O 3.3Å; V355-K357 WeakPolarHBondContact CG2-O 3.35Å
356	R	88.3	Confident	88.2	Confident	219 Å²	219	93.9 Å²	93.9	83%	0.826	45%	0.449	S	S	*	.	S	Bend	trans	-81.1	-19.3	179.4	-67.6	-173.1	179.4	-167.2	-0.4	114
357	K	85.7	Confident	88.3	Confident	185 Å²	185	92.6 Å²	92.6	80%	0.804	44%	0.444	S	S	*	.	S	Bend	trans	-100.1	132.5	171.6	-70	-171.5	175.3	-174.3	0	108.7	V355	V355-K357 VanDerWaalsContact CG2-O 3.3Å; V355-K357 WeakPolarHBondContact CG2-O 3.35Å
358	A	84.3	Confident	88.4	Confident	44 Å²	44	91.1 Å²	91.1	36%	0.364	44%	0.438	S	S	.	.			trans	-58.7	126.1	174.9	0	0	0	0	0	109.6	Y346	Y346-A358 HydrophobicContact CD1-CB 3.86Å; Y346-A358 HydrophobicContact CD2-CB 4.18Å; Y346-A358 HydrophobicContact CE1-CB 3.8Å; Y346-A358 HydrophobicContact CE2-CB 4.16Å; Y346-A358 HydrophobicContact CG-CB 4.06Å
359	P	80.5	Confident	88.6	Confident	52 Å²	52	90.8 Å²	90.8	34%	0.338	44%	0.435	S	S	.	.	S	Bend	trans	-69.8	-35	-179.8	24.9	-31	0	0	0	112.2	N348 T363	N348-P359 HydrophobicContact CB-CG 4.3Å; P359-T363 HydrophobicContact CG-CG2 3.92Å; P359-T363 WeakPolarHBondContact CG-OG1 3.46Å
360	N	84	Confident	88.9	Confident	110 Å²	110	85.3 Å²	85.3	59%	0.588	41%	0.411	S	S	*	.	S	Bend	trans	-130.2	155	168.5	-63.7	19	0	0	0	108.7	E362 T363	N360-E362 VanDerWaalsContact C-N 3.26Å; N360-E362 PolarHBondContact O-N 2.84Å; N360-T363 PolarHBondContact N-OG1 2.84Å; N360-T363 VanDerWaalsContact N-OG1 3.13Å; N360-T363 WeakPolarHBondContact O-CB 3.4Å; N360-T363 PolarHBondContact O-N 2.78Å; N360-T363 PolarHBondContact O-OG1 3.43Å
361	S	80.1	Confident	89.2	Confident	123 Å²	123	75.9 Å²	75.9	86%	0.86	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-37	176.7	46.6	0	0	0	0	114.2	T363	S361-T363 VanDerWaalsContact C-N 3.3Å; S361-T363 PolarHBondContact O-N 2.86Å
362	E	83.4	Confident	89.5	Confident	174 Å²	174	72.5 Å²	72.5	81%	0.813	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	2.6	-179.8	-61.7	177.3	164.8	0	0	114	N360 P364	N360-E362 VanDerWaalsContact C-N 3.26Å; N360-E362 PolarHBondContact O-N 2.84Å; E362-P364 WeakPolarHBondContact O-CD 3.26Å
363	T	86.4	Confident	89.8	Confident	26 Å²	26	65.6 Å²	65.6	16%	0.16	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-72.8	117.8	-176.7	-44.2	0	0	0	0	109.7	Y346 P359 N360 S361	Y346-T363 HydrophobicContact CD1-CG2 4.44Å; Y346-T363 WeakPolarHBondContact CD1-O 3.45Å; Y346-T363 WeakPolarHBondContact CE1-O 3.34Å; P359-T363 HydrophobicContact CG-CG2 3.92Å; P359-T363 WeakPolarHBondContact CG-OG1 3.46Å; N360-T363 PolarHBondContact N-OG1 2.84Å; N360-T363 VanDerWaalsContact N-OG1 3.13Å; N360-T363 WeakPolarHBondContact O-CB 3.4Å; N360-T363 PolarHBondContact O-N 2.78Å; N360-T363 PolarHBondContact O-OG1 3.43Å; S361-T363 VanDerWaalsContact C-N 3.3Å; S361-T363 PolarHBondContact O-N 2.86Å
364	P	90	Very high	89.9	Confident	29 Å²	29	60.2 Å²	60.2	19%	0.188	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-64.9	153.1	175.5	26.6	-33.8	0	0	0	111.1	E362 V368 Q369	E362-P364 WeakPolarHBondContact O-CD 3.26Å; P364-V368 HydrophobicContact CB-CB 4.07Å; P364-V368 HydrophobicContact CB-CG1 3.91Å; P364-Q369 HydrophobicContact CB-CB 4.33Å; P364-Q369 HydrophobicContact CG-CB 3.96Å; P364-Q369 HydrophobicContact CG-CG 4.01Å
365	R	93.5	Very high	89.9	Confident	38 Å²	38	57.5 Å²	57.5	14%	0.143	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-64.1	157.2	170.1	-70	173.9	176.6	78.8	2.1	110.3	F272 D344 I345 Y346 F367 V368 Q369	F272-R365 VanDerWaalsContact CZ-NH1 3.28Å; D344-R365 IonicContact OD1-CZ 3.68Å; D344-R365 IonicContact OD1-NE 2.74Å; D344-R365 PolarHBondContact OD1-NE 3.38Å; D344-R365 IonicContact OD1-NH2 2.72Å; D344-R365 PolarHBondContact OD1-NH2 3.18Å; I345-R365 CarbonylContact O-C 3.59Å; I345-R365 WeakPolarHBondContact O-CA 2.95Å; Y346-R365 HydrophobicContact CD1-CG 4.34Å; Y346-R365 HydrophobicContact CE1-CG 3.71Å; Y346-R365 PolarHBondContact OH-NH2 2.99Å; R365-F367 VanDerWaalsContact C-N 3.31Å; R365-F367 PolarHBondContact O-N 3.04Å; R365-V368 HydrophobicContact CB-CG2 4.26Å; R365-V368 PolarHBondContact O-N 3.09Å; R365-Q369 PolarHBondContact O-N 2.83Å
366	T	94.3	Very high	89.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-42.5	179.4	46.2	0	0	0	0	112.9	R340 I345 F347 F354 V368 Q369 F370	R340-T366 VanDerWaalsContact O-CB 3.3Å; R340-T366 WeakPolarHBondContact O-CB 3.42Å; R340-T366 WeakPolarHBondContact O-CG2 3.17Å; R340-T366 PolarHBondContact O-OG1 3.28Å; I345-T366 HydrophobicContact CB-CG2 4.26Å; I345-T366 HydrophobicContact CG2-CG2 3.83Å; I345-T366 PolarHBondContact O-N 2.87Å; I345-T366 PolarHBondContact O-OG1 2.95Å; F347-T366 HydrophobicContact CB-CG2 4.34Å; F354-T366 HydrophobicContact CD1-CG2 3.52Å; F354-T366 HydrophobicContact CE1-CG2 3.7Å; T366-V368 VanDerWaalsContact C-N 3.32Å; T366-V368 PolarHBondContact O-N 3.49Å; T366-Q369 PolarHBondContact O-N 3.04Å; T366-F370 WeakPolarHBondContact O-CB 3.46Å; T366-F370 WeakPolarHBondContact O-CD2 3.22Å; T366-F370 PolarHBondContact O-N 3.44Å
367	F	95.3	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-45.4	174.8	-164.9	-98.4	0	0	0	112	Y271 M274 F307 F316 L318 L341 W342 R365 I371 L372	Y271-F367 HydrophobicContact CD2-CB 3.99Å; Y271-F367 AromaticContact CD2-CD1 3.55Å; Y271-F367 HydrophobicContact CD2-CD1 3.55Å; Y271-F367 HydrophobicContact CD2-CE1 4.33Å; Y271-F367 AromaticContact CD2-CG 3.98Å; Y271-F367 HydrophobicContact CD2-CG 3.98Å; Y271-F367 HydrophobicContact CE2-CB 4.12Å; Y271-F367 HydrophobicContact CE2-CD1 4.33Å; Y271-F367 HydrophobicContact CE2-CG 4.33Å; Y271-F367 HydrophobicContact CG-CD1 4.41Å; M274-F367 HydrophobicContact CE-CE1 3.83Å; F307-F367 HydrophobicContact CD2-CE2 4.45Å; F307-F367 HydrophobicContact CD2-CZ 4.28Å; F307-F367 HydrophobicContact CE1-CZ 4.34Å; F307-F367 AromaticContact CE2-CE2 3.89Å; F307-F367 HydrophobicContact CE2-CE2 3.89Å; F307-F367 AromaticContact CE2-CZ 3.91Å; F307-F367 HydrophobicContact CE2-CZ 3.91Å; F307-F367 HydrophobicContact CZ-CE2 4.2Å; F307-F367 AromaticContact CZ-CZ 3.95Å; F307-F367 HydrophobicContact CZ-CZ 3.95Å; F316-F367 HydrophobicContact CE2-CZ 4.49Å; L318-F367 HydrophobicContact CD2-CD2 4.02Å; L318-F367 HydrophobicContact CD2-CE2 3.86Å; L341-F367 WeakPolarHBondContact O-CA 3.33Å; L341-F367 WeakPolarHBondContact O-CB 3.16Å; L341-F367 WeakPolarHBondContact O-CD2 3.26Å; L341-F367 PolarHBondContact O-N 3.22Å; L341-F367 VanDerWaalsContact O-N 3.13Å; W342-F367 HydrophobicContact CE3-CB 4.43Å; W342-F367 HydrophobicContact CE3-CD1 4.39Å; W342-F367 AromaticContact CE3-CD2 3.46Å; W342-F367 HydrophobicContact CE3-CD2 3.46Å; W342-F367 VanDerWaalsContact CE3-CD2 3.46Å; W342-F367 AromaticContact CE3-CE2 3.67Å; W342-F367 HydrophobicContact CE3-CE2 3.67Å; W342-F367 AromaticContact CE3-CG 3.83Å; W342-F367 HydrophobicContact CE3-CG 3.83Å; W342-F367 HydrophobicContact CE3-CZ 4.22Å; W342-F367 HydrophobicContact CZ3-CD1 4.1Å; W342-F367 AromaticContact CZ3-CD2 3.9Å; W342-F367 HydrophobicContact CZ3-CD2 3.9Å; W342-F367 HydrophobicContact CZ3-CE1 4.02Å; W342-F367 AromaticContact CZ3-CE2 3.82Å; W342-F367 HydrophobicContact CZ3-CE2 3.82Å; W342-F367 HydrophobicContact CZ3-CG 4.02Å; W342-F367 AromaticContact CZ3-CZ 3.88Å; W342-F367 HydrophobicContact CZ3-CZ 3.88Å; R365-F367 VanDerWaalsContact C-N 3.31Å; R365-F367 PolarHBondContact O-N 3.04Å; F367-I371 HydrophobicContact CD2-CB 4.38Å; F367-I371 HydrophobicContact CD2-CD1 3.62Å; F367-I371 HydrophobicContact CD2-CG1 4.48Å; F367-I371 HydrophobicContact CE1-CG2 4.42Å; F367-I371 HydrophobicContact CE2-CB 4.31Å; F367-I371 HydrophobicContact CE2-CD1 3.55Å; F367-I371 HydrophobicContact CE2-CG2 4.16Å; F367-I371 HydrophobicContact CZ-CB 4.49Å; F367-I371 HydrophobicContact CZ-CD1 4.45Å; F367-I371 HydrophobicContact CZ-CG2 4.01Å; F367-I371 WeakPolarHBondContact O-CA 3.37Å; F367-I371 WeakPolarHBondContact O-CB 3.29Å; F367-I371 PolarHBondContact O-N 3.43Å; F367-L372 HydrophobicContact CD1-CD1 3.8Å; F367-L372 HydrophobicContact CD1-CG 3.88Å; F367-L372 HydrophobicContact CE1-CD1 3.78Å; F367-L372 HydrophobicContact CE1-CD2 4.04Å; F367-L372 HydrophobicContact CE1-CG 3.68Å; F367-L372 PolarHBondContact O-N 3.28Å; F367-L372 VanDerWaalsContact O-N 3.09Å
368	V	95.1	Very high	90.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	24%	0.236	C	C	.	.	I	π-helix	trans	-65.1	-47.3	179.4	-179.9	0	0	0	0	110.2	P267 Y271 P364 R365 T366 L372 E373	P267-V368 HydrophobicContact CB-CG1 3.77Å; Y271-V368 HydrophobicContact CD1-CG2 4.44Å; Y271-V368 HydrophobicContact CG-CG2 4.05Å; P364-V368 HydrophobicContact CB-CB 4.07Å; P364-V368 HydrophobicContact CB-CG1 3.91Å; R365-V368 HydrophobicContact CB-CG2 4.26Å; R365-V368 PolarHBondContact O-N 3.09Å; T366-V368 VanDerWaalsContact C-N 3.32Å; T366-V368 PolarHBondContact O-N 3.49Å; V368-L372 PolarHBondContact O-N 3.46Å; V368-E373 WeakPolarHBondContact O-CB 3.48Å; V368-E373 PolarHBondContact O-N 3.13Å
369	Q	94.1	Very high	90.3	Very high	27 Å²	27	41.7 Å²	41.7	13%	0.126	22%	0.219	C	C	.	.	I	π-helix	trans	-72.8	-37.1	-174.4	-160.4	-164.6	-45.5	0	0	114.2	P364 R365 T366	P364-Q369 HydrophobicContact CB-CB 4.33Å; P364-Q369 HydrophobicContact CG-CB 3.96Å; P364-Q369 HydrophobicContact CG-CG 4.01Å; R365-Q369 PolarHBondContact O-N 2.83Å; T366-Q369 PolarHBondContact O-N 3.04Å
370	F	94.3	Very high	90.6	Very high	31 Å²	31	42.3 Å²	42.3	14%	0.136	23%	0.225	C	C	.	.	I	π-helix	trans	-105.4	-15.9	-172.4	-70	-81.8	0	0	0	114.4	F321 Y325 F337 L341 F347 F354 T366	F321-F370 VanDerWaalsContact CE1-O 3.26Å; F321-F370 WeakPolarHBondContact CE1-O 3.43Å; Y325-F370 HydrophobicContact CE1-CD1 4.47Å; Y325-F370 HydrophobicContact CE2-CB 4.27Å; Y325-F370 HydrophobicContact CE2-CD1 4.45Å; Y325-F370 WeakPolarHBondContact CE2-O 3.41Å; Y325-F370 PolarHBondContact OH-O 3Å; F337-F370 HydrophobicContact CZ-CB 4.49Å; F337-F370 AromaticContact CZ-CD1 3.96Å; F337-F370 HydrophobicContact CZ-CD1 3.96Å; F337-F370 HydrophobicContact CZ-CE1 4.33Å; F337-F370 HydrophobicContact CZ-CG 4.13Å; L341-F370 HydrophobicContact CD2-CB 3.74Å; L341-F370 HydrophobicContact CD2-CD2 4.33Å; L341-F370 HydrophobicContact CD2-CG 4.22Å; F347-F370 HydrophobicContact CB-CE2 3.73Å; F347-F370 HydrophobicContact CB-CZ 4.27Å; F347-F370 HydrophobicContact CD1-CE2 4.27Å; F347-F370 AromaticContact CD1-CZ 3.97Å; F347-F370 HydrophobicContact CD1-CZ 3.97Å; F347-F370 HydrophobicContact CD2-CE2 4.32Å; F347-F370 HydrophobicContact CD2-CZ 4.18Å; F347-F370 HydrophobicContact CE1-CZ 4.32Å; F347-F370 AromaticContact CG-CE2 3.86Å; F347-F370 HydrophobicContact CG-CE2 3.86Å; F347-F370 AromaticContact CG-CZ 3.88Å; F347-F370 HydrophobicContact CG-CZ 3.88Å; F354-F370 HydrophobicContact CE1-CE2 4.19Å; T366-F370 WeakPolarHBondContact O-CB 3.46Å; T366-F370 WeakPolarHBondContact O-CD2 3.22Å; T366-F370 PolarHBondContact O-N 3.44Å
371	I	94.8	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-117.1	-59	178.7	-65.1	174.1	0	0	0	110	F316 L318 F321 L341 F367 P374 L375	F316-I371 HydrophobicContact CE2-CG2 3.56Å; F316-I371 HydrophobicContact CZ-CG2 3.62Å; L318-I371 HydrophobicContact CD2-CD1 3.89Å; F321-I371 HydrophobicContact CB-CD1 4.41Å; F321-I371 HydrophobicContact CD1-CG1 3.84Å; F321-I371 HydrophobicContact CD2-CG1 4.17Å; F321-I371 HydrophobicContact CD2-CG2 4.11Å; F321-I371 HydrophobicContact CE1-CG1 4.03Å; F321-I371 HydrophobicContact CE2-CB 4.41Å; F321-I371 HydrophobicContact CE2-CG1 4.34Å; F321-I371 HydrophobicContact CE2-CG2 3.87Å; F321-I371 HydrophobicContact CG-CD1 4.3Å; F321-I371 HydrophobicContact CG-CG1 3.92Å; F321-I371 HydrophobicContact CZ-CB 4.37Å; F321-I371 HydrophobicContact CZ-CG1 4.27Å; F321-I371 HydrophobicContact CZ-CG2 4.27Å; L341-I371 HydrophobicContact CB-CD1 4.43Å; L341-I371 HydrophobicContact CD1-CD1 4.25Å; F367-I371 HydrophobicContact CD2-CB 4.38Å; F367-I371 HydrophobicContact CD2-CD1 3.62Å; F367-I371 HydrophobicContact CD2-CG1 4.48Å; F367-I371 HydrophobicContact CE1-CG2 4.42Å; F367-I371 HydrophobicContact CE2-CB 4.31Å; F367-I371 HydrophobicContact CE2-CD1 3.55Å; F367-I371 HydrophobicContact CE2-CG2 4.16Å; F367-I371 HydrophobicContact CZ-CB 4.49Å; F367-I371 HydrophobicContact CZ-CD1 4.45Å; F367-I371 HydrophobicContact CZ-CG2 4.01Å; F367-I371 WeakPolarHBondContact O-CA 3.37Å; F367-I371 WeakPolarHBondContact O-CB 3.29Å; F367-I371 PolarHBondContact O-N 3.43Å; I371-P374 WeakPolarHBondContact O-CD 3.45Å; I371-L375 WeakPolarHBondContact O-CB 3.48Å; I371-L375 PolarHBondContact O-N 3.39Å
372	L	94.6	Very high	90.7	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.031	17%	0.167	C	C	.	.	I	π-helix	trans	-73.5	-43.4	-173.7	-63.9	176.8	0	0	0	113.9	P267 A270 M274 F367 V368 L375 Y376	P267-L372 HydrophobicContact CB-CB 4.12Å; P267-L372 WeakPolarHBondContact O-CD1 3.41Å; A270-L372 HydrophobicContact CB-CD1 4.48Å; M274-L372 HydrophobicContact CE-CD1 3.9Å; M274-L372 HydrophobicContact CE-CD2 3.96Å; M274-L372 HydrophobicContact CE-CG 4.48Å; F367-L372 HydrophobicContact CD1-CD1 3.8Å; F367-L372 HydrophobicContact CD1-CG 3.88Å; F367-L372 HydrophobicContact CE1-CD1 3.78Å; F367-L372 HydrophobicContact CE1-CD2 4.04Å; F367-L372 HydrophobicContact CE1-CG 3.68Å; F367-L372 PolarHBondContact O-N 3.28Å; F367-L372 VanDerWaalsContact O-N 3.09Å; V368-L372 PolarHBondContact O-N 3.46Å; L372-L375 PolarHBondContact O-N 2.92Å; L372-Y376 HydrophobicContact CB-CD2 4.3Å; L372-Y376 HydrophobicContact CB-CE2 4.43Å; L372-Y376 HydrophobicContact CD2-CE2 4.38Å; L372-Y376 VanDerWaalsContact O-CB 3.32Å; L372-Y376 WeakPolarHBondContact O-CB 3.4Å; L372-Y376 WeakPolarHBondContact O-CD2 3.42Å; L372-Y376 PolarHBondContact O-N 2.73Å
373	E	93.9	Very high	90.6	Very high	58 Å²	58	28.7 Å²	28.7	27%	0.271	15%	0.149	S	C	.	.	H	α-helix	trans	-57.9	-47.9	177.5	-89.2	-175.5	-133.5	0	0	113	V368 K377	V368-E373 WeakPolarHBondContact O-CB 3.48Å; V368-E373 PolarHBondContact O-N 3.13Å; E373-K377 WeakPolarHBondContact O-CB 3.37Å; E373-K377 WeakPolarHBondContact O-CD 3.35Å; E373-K377 VanDerWaalsContact O-CG 3.22Å; E373-K377 WeakPolarHBondContact O-CG 3.4Å; E373-K377 PolarHBondContact O-N 2.84Å; E373-K377 IonicContact OE2-NZ 3.56Å; E373-K377 PolarHBondContact OE2-NZ 3.19Å
374	P	92	Very high	90.2	Very high	34 Å²	34	30.3 Å²	30.3	22%	0.221	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-44.5	172.5	-26.7	35.9	0	0	0	113.2	I371 K377 I378	I371-P374 WeakPolarHBondContact O-CD 3.45Å; P374-K377 WeakPolarHBondContact O-CB 3.16Å; P374-K377 PolarHBondContact O-N 2.85Å; P374-I378 WeakPolarHBondContact O-CG1 3.38Å; P374-I378 PolarHBondContact O-N 2.83Å
375	L	92	Very high	89.2	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-44.8	-177.6	-170.9	148.6	0	0	0	111	I256 I260 F316 I371 L372 K377 I378 F379 F422	I256-L375 HydrophobicContact CD1-CD1 4.33Å; I260-L375 HydrophobicContact CD1-CD2 3.18Å; F316-L375 HydrophobicContact CE1-CD1 3.81Å; F316-L375 HydrophobicContact CZ-CD1 4.29Å; I371-L375 WeakPolarHBondContact O-CB 3.48Å; I371-L375 PolarHBondContact O-N 3.39Å; L372-L375 PolarHBondContact O-N 2.92Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 3.5Å; L375-I378 WeakPolarHBondContact O-CB 3.37Å; L375-I378 PolarHBondContact O-N 2.93Å; L375-F379 HydrophobicContact CD2-CD2 3.72Å; L375-F379 HydrophobicContact CD2-CE2 3.61Å; L375-F379 HydrophobicContact CG-CD2 4.3Å; L375-F379 HydrophobicContact CG-CE2 4.13Å; L375-F379 WeakPolarHBondContact O-CD2 3.46Å; L375-F379 PolarHBondContact O-N 3.49Å; L375-F422 HydrophobicContact CD1-CZ 4.07Å
376	Y	92.3	Very high	88	Confident	34 Å²	34	33.3 Å²	33.3	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-36.7	171.8	-88.2	-116	0	0	0	112.7	I260 L265 P267 A270 L372 F379 S380	I260-Y376 HydrophobicContact CB-CE1 4.47Å; I260-Y376 HydrophobicContact CB-CE2 4.48Å; I260-Y376 HydrophobicContact CD1-CD2 4Å; I260-Y376 HydrophobicContact CD1-CE2 3.79Å; I260-Y376 HydrophobicContact CG1-CD2 4.25Å; I260-Y376 HydrophobicContact CG1-CE1 4.43Å; I260-Y376 HydrophobicContact CG1-CE2 3.63Å; I260-Y376 HydrophobicContact CG2-CD1 3.99Å; I260-Y376 HydrophobicContact CG2-CD2 4.38Å; I260-Y376 HydrophobicContact CG2-CE1 3.91Å; I260-Y376 HydrophobicContact CG2-CE2 4.32Å; I260-Y376 HydrophobicContact CG2-CG 4.24Å; L265-Y376 WeakPolarHBondContact O-CE1 3.44Å; L265-Y376 PolarHBondContact O-OH 2.83Å; P267-Y376 HydrophobicContact CG-CD1 3.76Å; P267-Y376 HydrophobicContact CG-CD2 4.24Å; P267-Y376 HydrophobicContact CG-CE1 3.96Å; P267-Y376 HydrophobicContact CG-CE2 4.41Å; P267-Y376 HydrophobicContact CG-CG 3.9Å; A270-Y376 VanDerWaalsContact CB-OH 3.26Å; A270-Y376 WeakPolarHBondContact CB-OH 3.5Å; L372-Y376 HydrophobicContact CB-CD2 4.3Å; L372-Y376 HydrophobicContact CB-CE2 4.43Å; L372-Y376 HydrophobicContact CD2-CE2 4.38Å; L372-Y376 VanDerWaalsContact O-CB 3.32Å; L372-Y376 WeakPolarHBondContact O-CB 3.4Å; L372-Y376 WeakPolarHBondContact O-CD2 3.42Å; L372-Y376 PolarHBondContact O-N 2.73Å; Y376-F379 PolarHBondContact O-N 3.39Å; Y376-S380 VanDerWaalsContact O-CB 3.32Å; Y376-S380 WeakPolarHBondContact O-CB 3.29Å; Y376-S380 PolarHBondContact O-N 3.05Å; Y376-S380 PolarHBondContact O-OG 3.01Å
377	K	89	Confident	86.8	Confident	117 Å²	117	40.6 Å²	40.6	51%	0.509	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-43.2	173.4	-74.9	163.4	-169.8	161.7	0	111.4	E373 P374 L375 S380 Q381	E373-K377 WeakPolarHBondContact O-CB 3.37Å; E373-K377 WeakPolarHBondContact O-CD 3.35Å; E373-K377 VanDerWaalsContact O-CG 3.22Å; E373-K377 WeakPolarHBondContact O-CG 3.4Å; E373-K377 PolarHBondContact O-N 2.84Å; E373-K377 IonicContact OE2-NZ 3.56Å; E373-K377 PolarHBondContact OE2-NZ 3.19Å; P374-K377 WeakPolarHBondContact O-CB 3.16Å; P374-K377 PolarHBondContact O-N 2.85Å; L375-K377 VanDerWaalsContact C-N 3.31Å; L375-K377 PolarHBondContact O-N 3.5Å; K377-S380 WeakPolarHBondContact CA-OG 3.01Å; K377-S380 PolarHBondContact O-OG 3Å; K377-Q381 WeakPolarHBondContact O-CB 3.05Å; K377-Q381 WeakPolarHBondContact O-CG 3.49Å; K377-Q381 PolarHBondContact O-N 2.92Å
378	I	87.7	Confident	85.9	Confident	10 Å²	10	45.5 Å²	45.5	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-53.9	174	-66	168.1	0	0	0	110.4	P374 L375 S380 Q381 I382 L397 I417 F421	P374-I378 WeakPolarHBondContact O-CG1 3.38Å; P374-I378 PolarHBondContact O-N 2.83Å; L375-I378 WeakPolarHBondContact O-CB 3.37Å; L375-I378 PolarHBondContact O-N 2.93Å; I378-S380 PolarHBondContact O-N 3.38Å; I378-Q381 PolarHBondContact O-N 3.13Å; I378-I382 HydrophobicContact CG2-CD1 3.63Å; I378-I382 VanDerWaalsContact O-CD1 3.3Å; I378-I382 WeakPolarHBondContact O-CD1 3.2Å; I378-I382 VanDerWaalsContact O-CG1 3.29Å; I378-I382 WeakPolarHBondContact O-CG1 3.25Å; I378-I382 PolarHBondContact O-N 3.05Å; I378-L397 HydrophobicContact CD1-CD1 4.29Å; I378-L397 HydrophobicContact CG1-CD1 4.09Å; I378-I417 HydrophobicContact CG2-CG2 4.37Å; I378-F421 HydrophobicContact CD1-CD1 3.99Å; I378-F421 HydrophobicContact CD1-CE1 4.02Å; I378-F421 HydrophobicContact CD1-CG 4.37Å; I378-F421 HydrophobicContact CD1-CZ 4.44Å
379	F	89.2	Confident	85.1	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-47.7	-179.8	-82.9	-81.1	0	0	0	113.2	D257 I260 L261 Y312 I314 L375 Y376 Q381 I382 V383 L414	D257-F379 HydrophobicContact CB-CE1 4.3Å; D257-F379 HydrophobicContact CB-CZ 4.11Å; I260-F379 HydrophobicContact CD1-CD2 3.77Å; I260-F379 HydrophobicContact CD1-CE2 3.92Å; I260-F379 HydrophobicContact CD1-CG 4.43Å; I260-F379 HydrophobicContact CG2-CB 4.02Å; I260-F379 HydrophobicContact CG2-CG 4.24Å; L261-F379 HydrophobicContact CD1-CD1 4.03Å; L261-F379 HydrophobicContact CD1-CE1 3.97Å; L261-F379 HydrophobicContact CD2-CD1 3.97Å; L261-F379 HydrophobicContact CG-CD1 4.14Å; L261-F379 HydrophobicContact CG-CE1 4.43Å; Y312-F379 AromaticContact CD2-CE1 3.94Å; Y312-F379 HydrophobicContact CD2-CE1 3.94Å; Y312-F379 HydrophobicContact CD2-CZ 4.1Å; Y312-F379 HydrophobicContact CE2-CE1 4.16Å; Y312-F379 HydrophobicContact CG-CE1 4.4Å; I314-F379 HydrophobicContact CD1-CE2 3.76Å; I314-F379 HydrophobicContact CD1-CZ 3.69Å; L375-F379 HydrophobicContact CD2-CD2 3.72Å; L375-F379 HydrophobicContact CD2-CE2 3.61Å; L375-F379 HydrophobicContact CG-CD2 4.3Å; L375-F379 HydrophobicContact CG-CE2 4.13Å; L375-F379 WeakPolarHBondContact O-CD2 3.46Å; L375-F379 PolarHBondContact O-N 3.49Å; Y376-F379 PolarHBondContact O-N 3.39Å; F379-Q381 PolarHBondContact O-N 3.26Å; F379-I382 PolarHBondContact O-N 2.87Å; F379-V383 WeakPolarHBondContact O-CB 3.46Å; F379-V383 VanDerWaalsContact O-CG2 3.27Å; F379-V383 WeakPolarHBondContact O-CG2 3.15Å; F379-V383 PolarHBondContact O-N 3.46Å; F379-L414 HydrophobicContact CD1-CD1 4.02Å; F379-L414 HydrophobicContact CD1-CD2 3.53Å; F379-L414 HydrophobicContact CD1-CG 4.45Å; F379-L414 HydrophobicContact CE1-CD1 4.12Å; F379-L414 HydrophobicContact CE1-CD2 3.74Å; F379-L414 HydrophobicContact CG-CD2 4.24Å
380	S	86.4	Confident	84.3	Confident	65 Å²	65	46 Å²	46	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-65.5	-37.5	-178.7	52.6	0	0	0	0	113.7	Y376 K377 I378 G384	Y376-S380 VanDerWaalsContact O-CB 3.32Å; Y376-S380 WeakPolarHBondContact O-CB 3.29Å; Y376-S380 PolarHBondContact O-N 3.05Å; Y376-S380 PolarHBondContact O-OG 3.01Å; K377-S380 WeakPolarHBondContact CA-OG 3.01Å; K377-S380 PolarHBondContact O-OG 3Å; I378-S380 PolarHBondContact O-N 3.38Å; S380-G384 PolarHBondContact O-N 3.26Å
381	Q	84.2	Confident	83.6	Confident	48 Å²	48	48 Å²	48	22%	0.224	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-39.9	176.7	-67.5	-69.5	-69.8	0	0	111.4	K377 I378 F379 E385 T389 V393	K377-Q381 WeakPolarHBondContact O-CB 3.05Å; K377-Q381 WeakPolarHBondContact O-CG 3.49Å; K377-Q381 PolarHBondContact O-N 2.92Å; I378-Q381 PolarHBondContact O-N 3.13Å; F379-Q381 PolarHBondContact O-N 3.26Å; Q381-E385 CarbonylContact O-C 2.95Å; Q381-E385 PolarHBondContact O-N 2.99Å; Q381-T389 VanDerWaalsContact OE1-CB 3.23Å; Q381-T389 PolarHBondContact OE1-OG1 3.08Å; Q381-V393 HydrophobicContact CG-CG2 4.17Å
382	I	81.8	Confident	83	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-76.8	-30.4	-179.4	-58	158.9	0	0	0	112.2	I378 F379 V386 L390 I410 L413 L414 I417	I378-I382 HydrophobicContact CG2-CD1 3.63Å; I378-I382 VanDerWaalsContact O-CD1 3.3Å; I378-I382 WeakPolarHBondContact O-CD1 3.2Å; I378-I382 VanDerWaalsContact O-CG1 3.29Å; I378-I382 WeakPolarHBondContact O-CG1 3.25Å; I378-I382 PolarHBondContact O-N 3.05Å; F379-I382 PolarHBondContact O-N 2.87Å; I382-V386 WeakPolarHBondContact O-CG2 3.36Å; I382-L390 HydrophobicContact CG1-CD1 3.68Å; I382-I410 HydrophobicContact CG2-CG2 4.37Å; I382-L413 HydrophobicContact CG2-CD2 4.2Å; I382-L413 HydrophobicContact CG2-CG 4.14Å; I382-L414 HydrophobicContact CB-CD2 3.99Å; I382-L414 HydrophobicContact CB-CG 4.25Å; I382-L414 HydrophobicContact CD1-CD2 3.58Å; I382-L414 HydrophobicContact CD1-CG 4.39Å; I382-L414 HydrophobicContact CG1-CD2 4.41Å; I382-L414 HydrophobicContact CG2-CD2 4.04Å; I382-L414 HydrophobicContact CG2-CG 3.76Å; I382-I417 HydrophobicContact CD1-CB 4.14Å; I382-I417 HydrophobicContact CD1-CD1 3.54Å; I382-I417 HydrophobicContact CD1-CG1 4.45Å; I382-I417 HydrophobicContact CD1-CG2 3.92Å; I382-I417 HydrophobicContact CG1-CD1 3.79Å; I382-I417 HydrophobicContact CG2-CD1 4.46Å
383	V	81.3	Confident	82.4	Confident	72 Å²	72	57.2 Å²	57.2	44%	0.436	31%	0.313	S	S	.	.	H	α-helix	trans	-84.4	-28.4	177.9	176.8	0	0	0	0	112.3	L261 F379 I410 L414	L261-V383 HydrophobicContact CD2-CG2 3.96Å; F379-V383 WeakPolarHBondContact O-CB 3.46Å; F379-V383 VanDerWaalsContact O-CG2 3.27Å; F379-V383 WeakPolarHBondContact O-CG2 3.15Å; F379-V383 PolarHBondContact O-N 3.46Å; V383-I410 HydrophobicContact CG2-CG2 4Å; V383-L414 HydrophobicContact CG2-CD1 4.17Å
384	G	78.1	Confident	81.7	Confident	60 Å²	60	54.8 Å²	54.8	62%	0.619	30%	0.302	S	S	*	.	H	α-helix	trans	-102.9	-42	-174.6	0	0	0	0	0	116.3	S380	S380-G384 PolarHBondContact O-N 3.26Å
385	E	70.2	Confident	81.3	Confident	93 Å²	93	57.2 Å²	57.2	44%	0.435	32%	0.32	S	S	.	.			trans	-136.8	51.3	-163.2	-77	-166.4	-134.8	0	0	112.9	Q381 D387 T388 T389	Q381-E385 CarbonylContact O-C 2.95Å; Q381-E385 PolarHBondContact O-N 2.99Å; E385-D387 VanDerWaalsContact C-N 3.31Å; E385-D387 PolarHBondContact O-N 3.34Å; E385-T388 WeakPolarHBondContact CB-OG1 3.29Å; E385-T388 PolarHBondContact OE2-OG1 3.29Å; E385-T389 WeakPolarHBondContact CB-OG1 3.33Å; E385-T389 PolarHBondContact O-N 3.15Å; E385-T389 PolarHBondContact O-OG1 3.42Å; E385-T389 WeakPolarHBondContact OE2-CG2 3.44Å
386	V	66.7	Low	81	Confident	36 Å²	36	63.1 Å²	63.1	22%	0.218	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-42.8	-180	180	0	0	0	0	112.5	I382 L390 L413	I382-V386 WeakPolarHBondContact O-CG2 3.36Å; V386-L390 HydrophobicContact CG1-CD2 4.06Å; V386-L390 WeakPolarHBondContact O-CB 3.32Å; V386-L413 HydrophobicContact CG1-CD2 4.13Å
387	D	69.3	Low	80.5	Confident	153 Å²	153	64.1 Å²	64.1	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-28.3	-170.1	-61.2	-41.4	0	0	0	114.1	E385	E385-D387 VanDerWaalsContact C-N 3.31Å; E385-D387 PolarHBondContact O-N 3.34Å
388	T	76.2	Confident	80.3	Confident	103 Å²	103	61.7 Å²	61.7	63%	0.632	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-48.2	-168.7	41.9	0	0	0	0	113.5	E385	E385-T388 WeakPolarHBondContact CB-OG1 3.29Å; E385-T388 PolarHBondContact OE2-OG1 3.29Å
389	T	78.8	Confident	80.2	Confident	37 Å²	37	61.9 Å²	61.9	23%	0.227	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-22	-169.1	56.4	0	0	0	0	113.6	Q381 E385 P391 R392 V393	Q381-T389 VanDerWaalsContact OE1-CB 3.23Å; Q381-T389 PolarHBondContact OE1-OG1 3.08Å; E385-T389 WeakPolarHBondContact CB-OG1 3.33Å; E385-T389 PolarHBondContact O-N 3.15Å; E385-T389 PolarHBondContact O-OG1 3.42Å; E385-T389 WeakPolarHBondContact OE2-CG2 3.44Å; T389-P391 VanDerWaalsContact C-CD 3.48Å; T389-R392 WeakPolarHBondContact O-CB 3.34Å; T389-R392 PolarHBondContact O-N 2.85Å; T389-V393 PolarHBondContact O-N 2.97Å
390	L	77.3	Confident	80	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.016	40%	0.404	C	S	.	.	H	α-helix	trans	-51.3	-46.6	-175.8	-170.1	70.3	0	0	0	113.7	I382 V386 R392 V393 M394 L401 L413 I417	I382-L390 HydrophobicContact CG1-CD1 3.68Å; V386-L390 HydrophobicContact CG1-CD2 4.06Å; V386-L390 WeakPolarHBondContact O-CB 3.32Å; L390-R392 PolarHBondContact O-N 2.75Å; L390-V393 PolarHBondContact O-N 2.9Å; L390-M394 HydrophobicContact CD1-CE 3.8Å; L390-M394 HydrophobicContact CD1-CG 4.18Å; L390-M394 HydrophobicContact CD1-SD 4.5Å; L390-M394 HydrophobicContact CG-CG 4.05Å; L390-M394 WeakPolarHBondContact O-CB 3.35Å; L390-M394 VanDerWaalsContact O-CG 3.22Å; L390-M394 WeakPolarHBondContact O-CG 3.17Å; L390-M394 PolarHBondContact O-N 2.8Å; L390-L401 HydrophobicContact CD2-CD1 4.32Å; L390-L413 HydrophobicContact CD2-CD2 4.07Å; L390-I417 HydrophobicContact CD1-CD1 4.06Å
391	P	79.8	Confident	79.9	Confident	72 Å²	72	70.8 Å²	70.8	47%	0.468	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-33.4	-178.8	-22.4	34.7	0	0	0	112.8	T389 S395	T389-P391 VanDerWaalsContact C-CD 3.48Å; P391-S395 WeakPolarHBondContact O-CB 3.1Å; P391-S395 PolarHBondContact O-N 2.81Å
392	R	82.4	Confident	80	Confident	174 Å²	174	70.7 Å²	70.7	66%	0.657	39%	0.394	S	S	*	.	H	α-helix	trans	-70.7	-49.8	176	178.3	-177.2	165.4	175.1	-2.4	110.8	T389 L390 M394 S395 E396	T389-R392 WeakPolarHBondContact O-CB 3.34Å; T389-R392 PolarHBondContact O-N 2.85Å; L390-R392 PolarHBondContact O-N 2.75Å; R392-M394 VanDerWaalsContact C-N 3.3Å; R392-M394 PolarHBondContact O-N 2.94Å; R392-S395 WeakPolarHBondContact O-CA 3.41Å; R392-S395 WeakPolarHBondContact O-CB 3.19Å; R392-S395 PolarHBondContact O-N 3.24Å; R392-S395 PolarHBondContact O-OG 2.73Å; R392-E396 IonicContact CZ-OE1 2.72Å; R392-E396 IonicContact NE-OE1 3.59Å; R392-E396 PolarHBondContact NE-OE1 3.46Å; R392-E396 IonicContact NH2-OE1 3.5Å; R392-E396 PolarHBondContact NH2-OE1 3.37Å; R392-E396 VanDerWaalsContact NH2-OE1 3.15Å; R392-E396 PolarHBondContact O-N 2.77Å
393	V	81	Confident	80.1	Confident	27 Å²	27	79 Å²	79	16%	0.164	43%	0.43	C	S	.	.	H	α-helix	trans	-60.9	-41.6	178.8	179.2	0	0	0	0	110.6	Q381 T389 L390 S395 E396 L397	Q381-V393 HydrophobicContact CG-CG2 4.17Å; T389-V393 PolarHBondContact O-N 2.97Å; L390-V393 PolarHBondContact O-N 2.9Å; V393-S395 VanDerWaalsContact C-N 3.33Å; V393-S395 PolarHBondContact O-N 3.44Å; V393-E396 PolarHBondContact O-N 2.98Å; V393-L397 HydrophobicContact CG1-CD1 3.96Å; V393-L397 HydrophobicContact CG1-CG 4.42Å; V393-L397 VanDerWaalsContact O-CG 3.31Å; V393-L397 WeakPolarHBondContact O-CG 3.46Å; V393-L397 PolarHBondContact O-N 2.89Å
394	M	80.3	Confident	80.2	Confident	7 Å²	7	83.1 Å²	83.1	3%	0.034	45%	0.445	C	S	.	.	H	α-helix	trans	-60.8	-40.5	173.9	-68	-57.8	104.6	0	0	111.9	L390 R392 L397 G398 I399 L401 I417	L390-M394 HydrophobicContact CD1-CE 3.8Å; L390-M394 HydrophobicContact CD1-CG 4.18Å; L390-M394 HydrophobicContact CD1-SD 4.5Å; L390-M394 HydrophobicContact CG-CG 4.05Å; L390-M394 WeakPolarHBondContact O-CB 3.35Å; L390-M394 VanDerWaalsContact O-CG 3.22Å; L390-M394 WeakPolarHBondContact O-CG 3.17Å; L390-M394 PolarHBondContact O-N 2.8Å; R392-M394 VanDerWaalsContact C-N 3.3Å; R392-M394 PolarHBondContact O-N 2.94Å; M394-L397 HydrophobicContact CE-CD1 3.84Å; M394-L397 CarbonylContact O-C 3.36Å; M394-L397 PolarHBondContact O-N 2.94Å; M394-G398 PolarHBondContact O-N 3.28Å; M394-I399 CarbonylContact C-O 3.48Å; M394-I399 HydrophobicContact CB-CB 4.46Å; M394-I399 PolarHBondContact O-N 2.96Å; M394-I399 HydrophobicContact SD-CB 3.96Å; M394-I399 HydrophobicContact SD-CD1 4.11Å; M394-I399 HydrophobicContact SD-CG2 3.96Å; M394-L401 HydrophobicContact CG-CD1 3.85Å; M394-L401 HydrophobicContact CG-CG 4.46Å; M394-L401 HydrophobicContact SD-CD1 4.12Å; M394-I417 HydrophobicContact CE-CD1 4.03Å; M394-I417 HydrophobicContact CE-CG1 4.37Å; M394-I417 HydrophobicContact CE-CG2 3.63Å; M394-I417 HydrophobicContact SD-CB 4.42Å; M394-I417 HydrophobicContact SD-CD1 3.88Å; M394-I417 HydrophobicContact SD-CG1 3.79Å; M394-I417 HydrophobicContact SD-CG2 3.77Å
395	S	83.2	Confident	80.4	Confident	84 Å²	84	82.1 Å²	82.1	59%	0.587	42%	0.424	S	S	*	.	H	α-helix	trans	-66	-35.5	174.3	77	0	0	0	0	113.6	P391 R392 V393 L397 G398	P391-S395 WeakPolarHBondContact O-CB 3.1Å; P391-S395 PolarHBondContact O-N 2.81Å; R392-S395 WeakPolarHBondContact O-CA 3.41Å; R392-S395 WeakPolarHBondContact O-CB 3.19Å; R392-S395 PolarHBondContact O-N 3.24Å; R392-S395 PolarHBondContact O-OG 2.73Å; V393-S395 VanDerWaalsContact C-N 3.33Å; V393-S395 PolarHBondContact O-N 3.44Å; S395-L397 VanDerWaalsContact C-N 3.33Å; S395-G398 PolarHBondContact O-N 2.84Å
396	E	85	Confident	81	Confident	127 Å²	127	81.5 Å²	81.5	59%	0.593	42%	0.421	S	S	*	.	H	α-helix	trans	-69.8	-30.2	175	-70.2	177.9	-167.1	0	0	111.8	R392 V393	R392-E396 IonicContact CZ-OE1 2.72Å; R392-E396 IonicContact NE-OE1 3.59Å; R392-E396 PolarHBondContact NE-OE1 3.46Å; R392-E396 IonicContact NH2-OE1 3.5Å; R392-E396 PolarHBondContact NH2-OE1 3.37Å; R392-E396 VanDerWaalsContact NH2-OE1 3.15Å; R392-E396 PolarHBondContact O-N 2.77Å; V393-E396 PolarHBondContact O-N 2.98Å
397	L	83.3	Confident	81.7	Confident	55 Å²	55	88.4 Å²	88.4	29%	0.288	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.3	174.8	-62.5	172.4	0	0	0	113.9	I378 V393 M394 S395 I399 F421	I378-L397 HydrophobicContact CD1-CD1 4.29Å; I378-L397 HydrophobicContact CG1-CD1 4.09Å; V393-L397 HydrophobicContact CG1-CD1 3.96Å; V393-L397 HydrophobicContact CG1-CG 4.42Å; V393-L397 VanDerWaalsContact O-CG 3.31Å; V393-L397 WeakPolarHBondContact O-CG 3.46Å; V393-L397 PolarHBondContact O-N 2.89Å; M394-L397 HydrophobicContact CE-CD1 3.84Å; M394-L397 CarbonylContact O-C 3.36Å; M394-L397 PolarHBondContact O-N 2.94Å; S395-L397 VanDerWaalsContact C-N 3.33Å; L397-I399 VanDerWaalsContact C-N 3.27Å; L397-I399 HydrophobicContact CB-CD1 3.91Å; L397-I399 HydrophobicContact CB-CG1 4.03Å; L397-I399 HydrophobicContact CD1-CD1 4.24Å; L397-I399 PolarHBondContact O-N 3.44Å; L397-F421 HydrophobicContact CB-CD2 4.41Å; L397-F421 HydrophobicContact CD2-CD2 4.08Å; L397-F421 HydrophobicContact CD2-CE2 3.68Å; L397-F421 HydrophobicContact CD2-CZ 4.4Å
398	G	83.8	Confident	82.3	Confident	66 Å²	66	83.1 Å²	83.1	68%	0.68	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	7.9	-176.6	0	0	0	0	0	115.4	M394 S395	M394-G398 PolarHBondContact O-N 3.28Å; S395-G398 PolarHBondContact O-N 2.84Å
399	I	84.9	Confident	82.6	Confident	14 Å²	14	83.6 Å²	83.6	7%	0.072	42%	0.422	C	S	.	.			trans	-88.7	131.8	-174.9	-56.8	171.7	0	0	0	109.8	M394 L397 L401 I417 R420 F421	M394-I399 CarbonylContact C-O 3.48Å; M394-I399 HydrophobicContact CB-CB 4.46Å; M394-I399 PolarHBondContact O-N 2.96Å; M394-I399 HydrophobicContact SD-CB 3.96Å; M394-I399 HydrophobicContact SD-CD1 4.11Å; M394-I399 HydrophobicContact SD-CG2 3.96Å; L397-I399 VanDerWaalsContact C-N 3.27Å; L397-I399 HydrophobicContact CB-CD1 3.91Å; L397-I399 HydrophobicContact CB-CG1 4.03Å; L397-I399 HydrophobicContact CD1-CD1 4.24Å; L397-I399 PolarHBondContact O-N 3.44Å; I399-L401 HydrophobicContact CG2-CD2 4.47Å; I399-I417 HydrophobicContact CD1-CG2 4.03Å; I399-R420 HydrophobicContact CD1-CB 4.48Å; I399-R420 HydrophobicContact CG1-CB 4.4Å; I399-R420 HydrophobicContact CG2-CB 3.95Å; I399-F421 HydrophobicContact CD1-CB 3.88Å; I399-F421 HydrophobicContact CD1-CD2 4.36Å
400	R	85.6	Confident	82.9	Confident	225 Å²	225	85.5 Å²	85.5	85%	0.849	43%	0.43	S	S	*	.			trans	-104.9	135.8	168.2	-65.3	-178.6	179.7	174.1	0.7	109.1	R420	R400-R420 PolarHBondContact O-NH1 3.36Å
401	L	84	Confident	83.2	Confident	29 Å²	29	92.7 Å²	92.7	15%	0.152	46%	0.457	C	S	.	.			trans	-115.4	147.4	174	-65.8	170.7	0	0	0	109.5	L390 M394 I399 E405 Q406 L413 I416 I417	L390-L401 HydrophobicContact CD2-CD1 4.32Å; M394-L401 HydrophobicContact CG-CD1 3.85Å; M394-L401 HydrophobicContact CG-CG 4.46Å; M394-L401 HydrophobicContact SD-CD1 4.12Å; I399-L401 HydrophobicContact CG2-CD2 4.47Å; L401-E405 WeakPolarHBondContact CA-OE2 3.3Å; L401-E405 HydrophobicContact CD2-CB 4.47Å; L401-Q406 HydrophobicContact CB-CG 3.95Å; L401-Q406 HydrophobicContact CD1-CG 4.22Å; L401-L413 HydrophobicContact CD1-CD1 4.07Å; L401-L413 HydrophobicContact CD2-CD1 4.47Å; L401-I416 HydrophobicContact CD2-CG2 4.08Å; L401-I417 HydrophobicContact CD1-CD1 4.15Å; L401-I417 HydrophobicContact CD1-CG1 4.18Å; L401-I417 HydrophobicContact CD2-CG1 4.05Å
402	S	87	Confident	83.5	Confident	46 Å²	46	90 Å²	90	32%	0.322	44%	0.439	S	S	.	.			trans	-75.5	161.7	169.9	98.7	0	0	0	0	110.8	E404 E405 Q406	S402-E404 PolarHBondContact O-N 2.91Å; S402-E404 PolarHBondContact OG-N 2.99Å; S402-E404 VanDerWaalsContact OG-N 3.12Å; S402-E405 PolarHBondContact N-OE2 2.84Å; S402-E405 PolarHBondContact O-N 3Å; S402-E405 WeakPolarHBondContact OG-CG 3.39Å; S402-E405 PolarHBondContact OG-N 3.49Å; S402-E405 VanDerWaalsContact OG-N 3.07Å; S402-Q406 WeakPolarHBondContact O-CG 3.26Å; S402-Q406 PolarHBondContact O-N 2.96Å; S402-Q406 VanDerWaalsContact O-N 3.09Å
403	K	83	Confident	83.7	Confident	176 Å²	176	81.7 Å²	81.7	77%	0.765	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.7	174.8	-73.9	-172.5	176.3	-178	0	113.7
404	E	84.5	Confident	84	Confident	159 Å²	159	80.5 Å²	80.5	74%	0.743	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-45.3	175.9	-65.2	177.1	163.9	0	0	109.8	S402 Q406 K407 S408	S402-E404 PolarHBondContact O-N 2.91Å; S402-E404 PolarHBondContact OG-N 2.99Å; S402-E404 VanDerWaalsContact OG-N 3.12Å; E404-Q406 VanDerWaalsContact C-N 3.28Å; E404-Q406 PolarHBondContact O-N 2.65Å; E404-K407 WeakPolarHBondContact O-CA 3.15Å; E404-K407 WeakPolarHBondContact O-CB 3.34Å; E404-K407 PolarHBondContact O-N 2.98Å; E404-S408 PolarHBondContact O-N 3.09Å
405	E	83	Confident	84.4	Confident	39 Å²	39	80.9 Å²	80.9	18%	0.182	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-58.4	-38.8	174.8	-66.8	168	169.4	0	0	112.1	L401 S402 K407 S408 I416 R420	L401-E405 WeakPolarHBondContact CA-OE2 3.3Å; L401-E405 HydrophobicContact CD2-CB 4.47Å; S402-E405 PolarHBondContact N-OE2 2.84Å; S402-E405 PolarHBondContact O-N 3Å; S402-E405 WeakPolarHBondContact OG-CG 3.39Å; S402-E405 PolarHBondContact OG-N 3.49Å; S402-E405 VanDerWaalsContact OG-N 3.07Å; E405-K407 PolarHBondContact O-N 3.3Å; E405-S408 VanDerWaalsContact O-CB 3.27Å; E405-S408 WeakPolarHBondContact O-CB 3.39Å; E405-S408 PolarHBondContact O-N 3.36Å; E405-S408 VanDerWaalsContact O-N 3.08Å; E405-S408 PolarHBondContact O-OG 3.43Å; E405-I416 HydrophobicContact CG-CD1 4.32Å; E405-R420 IonicContact OE1-CZ 2.75Å; E405-R420 IonicContact OE1-NH1 3.57Å; E405-R420 PolarHBondContact OE1-NH1 2.81Å; E405-R420 IonicContact OE1-NH2 3.53Å; E405-R420 PolarHBondContact OE1-NH2 3.16Å; E405-R420 IonicContact OE2-CZ 2.8Å; E405-R420 IonicContact OE2-NH1 2.96Å; E405-R420 PolarHBondContact OE2-NH1 3.38Å; E405-R420 IonicContact OE2-NH2 3.36Å
406	Q	81	Confident	84.5	Confident	79 Å²	79	79 Å²	79	37%	0.369	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.8	174.6	-76.3	177.9	-18.7	0	0	114	L401 S402 E404	L401-Q406 HydrophobicContact CB-CG 3.95Å; L401-Q406 HydrophobicContact CD1-CG 4.22Å; S402-Q406 WeakPolarHBondContact O-CG 3.26Å; S402-Q406 PolarHBondContact O-N 2.96Å; S402-Q406 VanDerWaalsContact O-N 3.09Å; E404-Q406 VanDerWaalsContact C-N 3.28Å; E404-Q406 PolarHBondContact O-N 2.65Å
407	K	82.1	Confident	84.7	Confident	181 Å²	181	72.9 Å²	72.9	79%	0.787	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-97.2	-4.2	176.4	-64.5	177.5	179.1	-177.4	0	113	E404 E405	E404-K407 WeakPolarHBondContact O-CA 3.15Å; E404-K407 WeakPolarHBondContact O-CB 3.34Å; E404-K407 PolarHBondContact O-N 2.98Å; E405-K407 PolarHBondContact O-N 3.3Å
408	S	81.7	Confident	85.1	Confident	42 Å²	42	70.3 Å²	70.3	29%	0.294	35%	0.345	S	S	.	.	S	Bend	trans	-64.3	153.7	176.4	-61.2	0	0	0	0	111.2	E404 E405	E404-S408 PolarHBondContact O-N 3.09Å; E405-S408 VanDerWaalsContact O-CB 3.27Å; E405-S408 WeakPolarHBondContact O-CB 3.39Å; E405-S408 PolarHBondContact O-N 3.36Å; E405-S408 VanDerWaalsContact O-N 3.08Å; E405-S408 PolarHBondContact O-OG 3.43Å
409	N	83	Confident	85.3	Confident	113 Å²	113	72.2 Å²	72.2	60%	0.604	33%	0.331	S	S	*	.			trans	-56	151.1	173.2	-72.8	-40.8	0	0	0	111.3	R411 P412 L413	N409-R411 PolarHBondContact O-N 3.46Å; N409-P412 HydrophobicContact CB-CG 4.29Å; N409-P412 VanDerWaalsContact O-CD 3.23Å; N409-P412 WeakPolarHBondContact O-CD 3.47Å; N409-L413 WeakPolarHBondContact O-CB 3.47Å; N409-L413 PolarHBondContact O-N 2.78Å
410	I	84.3	Confident	85.4	Confident	77 Å²	77	77.1 Å²	77.1	40%	0.395	35%	0.349	S	S	.	.	H	α-helix	trans	-51.9	-37.1	-174.9	-61.2	169.7	0	0	0	112.6	I382 V383 L414	I382-I410 HydrophobicContact CG2-CG2 4.37Å; V383-I410 HydrophobicContact CG2-CG2 4Å; I410-L414 HydrophobicContact CG2-CD1 4.23Å; I410-L414 WeakPolarHBondContact O-CB 3.23Å; I410-L414 WeakPolarHBondContact O-CG 3.43Å; I410-L414 PolarHBondContact O-N 2.62Å
411	R	84.1	Confident	85.6	Confident	155 Å²	155	68.5 Å²	68.5	59%	0.585	32%	0.317	S	S	*	.	H	α-helix	trans	-70.4	-54.9	-178.9	-74.5	176.4	177.8	177.8	-1.8	113	Y312 N409 L413 L414 S415	Y312-R411 HydrophobicContact CE1-CB 4.43Å; Y312-R411 HydrophobicContact CE1-CG 4.5Å; N409-R411 PolarHBondContact O-N 3.46Å; R411-L413 VanDerWaalsContact C-N 3.31Å; R411-L413 PolarHBondContact O-N 2.9Å; R411-L414 WeakPolarHBondContact O-CB 3.41Å; R411-L414 PolarHBondContact O-N 2.6Å; R411-S415 PolarHBondContact O-N 2.79Å; R411-S415 VanDerWaalsContact O-N 3.13Å
412	P	85.6	Confident	85.9	Confident	14 Å²	14	68.1 Å²	68.1	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-54.3	-43.9	168.8	-30	34.6	0	0	0	113.4	D157 N409 L414 S415 I416	D157-P412 HydrophobicContact CB-CG 3.68Å; D157-P412 WeakPolarHBondContact OD1-CB 3.41Å; D157-P412 WeakPolarHBondContact OD1-CG 3.45Å; N409-P412 HydrophobicContact CB-CG 4.29Å; N409-P412 VanDerWaalsContact O-CD 3.23Å; N409-P412 WeakPolarHBondContact O-CD 3.47Å; P412-L414 PolarHBondContact O-N 2.81Å; P412-S415 WeakPolarHBondContact O-CB 3.45Å; P412-S415 PolarHBondContact O-N 2.98Å; P412-S415 VanDerWaalsContact O-N 3.08Å; P412-I416 WeakPolarHBondContact O-CG1 3.3Å; P412-I416 PolarHBondContact O-N 2.96Å
413	L	87.6	Confident	85.9	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-60.4	-44.1	179.3	179.7	57.2	0	0	0	112.2	I382 V386 L390 L401 N409 R411 S415 I416 I417	I382-L413 HydrophobicContact CG2-CD2 4.2Å; I382-L413 HydrophobicContact CG2-CG 4.14Å; V386-L413 HydrophobicContact CG1-CD2 4.13Å; L390-L413 HydrophobicContact CD2-CD2 4.07Å; L401-L413 HydrophobicContact CD1-CD1 4.07Å; L401-L413 HydrophobicContact CD2-CD1 4.47Å; N409-L413 WeakPolarHBondContact O-CB 3.47Å; N409-L413 PolarHBondContact O-N 2.78Å; R411-L413 VanDerWaalsContact C-N 3.31Å; R411-L413 PolarHBondContact O-N 2.9Å; L413-S415 PolarHBondContact O-N 2.97Å; L413-I416 PolarHBondContact O-N 3.48Å; L413-I417 HydrophobicContact CD1-CD1 3.67Å; L413-I417 HydrophobicContact CD1-CG1 4.12Å; L413-I417 HydrophobicContact CG-CD1 3.84Å; L413-I417 WeakPolarHBondContact O-CB 3.32Å; L413-I417 VanDerWaalsContact O-CG1 3.3Å; L413-I417 WeakPolarHBondContact O-CG1 3.44Å; L413-I417 PolarHBondContact O-N 3.33Å
414	L	87.7	Confident	86.2	Confident	2 Å²	2	63 Å²	63	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-55	-49	170.6	-89.8	166.6	0	0	0	111.6	L261 Y312 F379 I382 V383 I410 R411 P412 I416 I417 C418	L261-L414 HydrophobicContact CD1-CD1 4.49Å; Y312-L414 HydrophobicContact CD1-CB 3.61Å; Y312-L414 HydrophobicContact CD1-CD1 4.45Å; Y312-L414 HydrophobicContact CE1-CB 3.85Å; Y312-L414 HydrophobicContact CE1-CD1 4Å; Y312-L414 HydrophobicContact CG-CB 4.42Å; F379-L414 HydrophobicContact CD1-CD1 4.02Å; F379-L414 HydrophobicContact CD1-CD2 3.53Å; F379-L414 HydrophobicContact CD1-CG 4.45Å; F379-L414 HydrophobicContact CE1-CD1 4.12Å; F379-L414 HydrophobicContact CE1-CD2 3.74Å; F379-L414 HydrophobicContact CG-CD2 4.24Å; I382-L414 HydrophobicContact CB-CD2 3.99Å; I382-L414 HydrophobicContact CB-CG 4.25Å; I382-L414 HydrophobicContact CD1-CD2 3.58Å; I382-L414 HydrophobicContact CD1-CG 4.39Å; I382-L414 HydrophobicContact CG1-CD2 4.41Å; I382-L414 HydrophobicContact CG2-CD2 4.04Å; I382-L414 HydrophobicContact CG2-CG 3.76Å; V383-L414 HydrophobicContact CG2-CD1 4.17Å; I410-L414 HydrophobicContact CG2-CD1 4.23Å; I410-L414 WeakPolarHBondContact O-CB 3.23Å; I410-L414 WeakPolarHBondContact O-CG 3.43Å; I410-L414 PolarHBondContact O-N 2.62Å; R411-L414 WeakPolarHBondContact O-CB 3.41Å; R411-L414 PolarHBondContact O-N 2.6Å; P412-L414 PolarHBondContact O-N 2.81Å; L414-I416 PolarHBondContact O-N 3.43Å; L414-I417 PolarHBondContact O-N 2.73Å; L414-C418 VanDerWaalsContact O-CB 3.3Å; L414-C418 WeakPolarHBondContact O-CB 3.5Å; L414-C418 PolarHBondContact O-N 3.19Å; L414-C418 PolarHBondContact O-SG 3.09Å
415	S	87.2	Confident	86.6	Confident	15 Å²	15	55.7 Å²	55.7	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-41.3	-179.7	-175.3	0	0	0	0	112.6	R155 R411 P412 L413 R419	R155-S415 PolarHBondContact NH2-OG 3.37Å; R411-S415 PolarHBondContact O-N 2.79Å; R411-S415 VanDerWaalsContact O-N 3.13Å; P412-S415 WeakPolarHBondContact O-CB 3.45Å; P412-S415 PolarHBondContact O-N 2.98Å; P412-S415 VanDerWaalsContact O-N 3.08Å; L413-S415 PolarHBondContact O-N 2.97Å; S415-R419 WeakPolarHBondContact O-CB 3.44Å; S415-R419 PolarHBondContact O-N 3.43Å
416	I	87.1	Confident	87	Confident	43 Å²	43	55.3 Å²	55.3	22%	0.221	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-45.3	178.2	-66.4	164.8	0	0	0	110.8	L401 E405 P412 L413 L414 R419 R420	L401-I416 HydrophobicContact CD2-CG2 4.08Å; E405-I416 HydrophobicContact CG-CD1 4.32Å; P412-I416 WeakPolarHBondContact O-CG1 3.3Å; P412-I416 PolarHBondContact O-N 2.96Å; L413-I416 PolarHBondContact O-N 3.48Å; L414-I416 PolarHBondContact O-N 3.43Å; I416-R419 PolarHBondContact O-N 2.81Å; I416-R420 WeakPolarHBondContact O-CG 3.49Å; I416-R420 PolarHBondContact O-N 3.1Å
417	I	88.9	Confident	87.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-47.3	179.6	-68.8	167.3	0	0	0	110.6	I378 I382 L390 M394 I399 L401 L413 L414 R420 F421	I378-I417 HydrophobicContact CG2-CG2 4.37Å; I382-I417 HydrophobicContact CD1-CB 4.14Å; I382-I417 HydrophobicContact CD1-CD1 3.54Å; I382-I417 HydrophobicContact CD1-CG1 4.45Å; I382-I417 HydrophobicContact CD1-CG2 3.92Å; I382-I417 HydrophobicContact CG1-CD1 3.79Å; I382-I417 HydrophobicContact CG2-CD1 4.46Å; L390-I417 HydrophobicContact CD1-CD1 4.06Å; M394-I417 HydrophobicContact CE-CD1 4.03Å; M394-I417 HydrophobicContact CE-CG1 4.37Å; M394-I417 HydrophobicContact CE-CG2 3.63Å; M394-I417 HydrophobicContact SD-CB 4.42Å; M394-I417 HydrophobicContact SD-CD1 3.88Å; M394-I417 HydrophobicContact SD-CG1 3.79Å; M394-I417 HydrophobicContact SD-CG2 3.77Å; I399-I417 HydrophobicContact CD1-CG2 4.03Å; L401-I417 HydrophobicContact CD1-CD1 4.15Å; L401-I417 HydrophobicContact CD1-CG1 4.18Å; L401-I417 HydrophobicContact CD2-CG1 4.05Å; L413-I417 HydrophobicContact CD1-CD1 3.67Å; L413-I417 HydrophobicContact CD1-CG1 4.12Å; L413-I417 HydrophobicContact CG-CD1 3.84Å; L413-I417 WeakPolarHBondContact O-CB 3.32Å; L413-I417 VanDerWaalsContact O-CG1 3.3Å; L413-I417 WeakPolarHBondContact O-CG1 3.44Å; L413-I417 PolarHBondContact O-N 3.33Å; L414-I417 PolarHBondContact O-N 2.73Å; I417-R420 PolarHBondContact O-N 3.2Å; I417-F421 WeakPolarHBondContact O-CB 3.24Å; I417-F421 PolarHBondContact O-N 3.43Å
418	C	90.1	Very high	88.1	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-41.3	178.2	-73.9	0	0	0	0	111.9	Y312 I314 L414 R420 F421 F422	Y312-C418 WeakPolarHBondContact O-CB 3.49Å; I314-C418 HydrophobicContact CD1-CB 4.41Å; I314-C418 HydrophobicContact CG1-CB 3.9Å; L414-C418 VanDerWaalsContact O-CB 3.3Å; L414-C418 WeakPolarHBondContact O-CB 3.5Å; L414-C418 PolarHBondContact O-N 3.19Å; L414-C418 PolarHBondContact O-SG 3.09Å; C418-R420 VanDerWaalsContact C-N 3.31Å; C418-R420 PolarHBondContact O-N 3.24Å; C418-F421 PolarHBondContact O-N 2.95Å; C418-F421 VanDerWaalsContact O-N 3.16Å; C418-F422 HydrophobicContact CB-CD2 4.21Å; C418-F422 HydrophobicContact CB-CE2 4.44Å; C418-F422 WeakPolarHBondContact O-CD2 3.24Å; C418-F422 PolarHBondContact O-N 3.38Å
419	R	88	Confident	88.7	Confident	105 Å²	105	40.9 Å²	40.9	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-56.6	-42.2	171.6	-175.8	179.2	176.8	-174.5	0.6	111.9	E147 N313 S415 I416 G423	E147-R419 PolarHBondContact O-NH2 2.8Å; E147-R419 VanDerWaalsContact O-NH2 3.1Å; E147-R419 WeakPolarHBondContact OE1-CD 3.49Å; E147-R419 IonicContact OE1-CZ 3.35Å; E147-R419 IonicContact OE1-NE 3.09Å; E147-R419 IonicContact OE1-NH1 2.74Å; E147-R419 PolarHBondContact OE1-NH1 3.21Å; N313-R419 HydrophobicContact CB-CB 3.94Å; S415-R419 WeakPolarHBondContact O-CB 3.44Å; S415-R419 PolarHBondContact O-N 3.43Å; I416-R419 PolarHBondContact O-N 2.81Å; R419-G423 VanDerWaalsContact O-CA 3.24Å; R419-G423 WeakPolarHBondContact O-CA 3.46Å; R419-G423 PolarHBondContact O-N 3.16Å
420	R	88.6	Confident	89.2	Confident	117 Å²	117	35.7 Å²	35.7	44%	0.442	17%	0.169	S	C	.	.	H	α-helix	trans	-75.1	-25.2	177.3	-72.4	-174.5	-179.9	146.7	19.3	114.2	I399 R400 E405 I416 I417 C418	I399-R420 HydrophobicContact CD1-CB 4.48Å; I399-R420 HydrophobicContact CG1-CB 4.4Å; I399-R420 HydrophobicContact CG2-CB 3.95Å; R400-R420 PolarHBondContact O-NH1 3.36Å; E405-R420 IonicContact OE1-CZ 2.75Å; E405-R420 IonicContact OE1-NH1 3.57Å; E405-R420 PolarHBondContact OE1-NH1 2.81Å; E405-R420 IonicContact OE1-NH2 3.53Å; E405-R420 PolarHBondContact OE1-NH2 3.16Å; E405-R420 IonicContact OE2-CZ 2.8Å; E405-R420 IonicContact OE2-NH1 2.96Å; E405-R420 PolarHBondContact OE2-NH1 3.38Å; E405-R420 IonicContact OE2-NH2 3.36Å; I416-R420 WeakPolarHBondContact O-CG 3.49Å; I416-R420 PolarHBondContact O-N 3.1Å; I417-R420 PolarHBondContact O-N 3.2Å; C418-R420 VanDerWaalsContact C-N 3.31Å; C418-R420 PolarHBondContact O-N 3.24Å
421	F	89.9	Confident	89.7	Confident	44 Å²	44	32.1 Å²	32.1	19%	0.193	15%	0.15	C	C	.	.	H	α-helix	trans	-84.2	-46.7	179.7	-176.4	-110	0	0	0	113.2	L324 I378 L397 I399 I417 C418	L324-F421 HydrophobicContact CD1-CE1 4.19Å; L324-F421 HydrophobicContact CD1-CZ 4.44Å; I378-F421 HydrophobicContact CD1-CD1 3.99Å; I378-F421 HydrophobicContact CD1-CE1 4.02Å; I378-F421 HydrophobicContact CD1-CG 4.37Å; I378-F421 HydrophobicContact CD1-CZ 4.44Å; L397-F421 HydrophobicContact CB-CD2 4.41Å; L397-F421 HydrophobicContact CD2-CD2 4.08Å; L397-F421 HydrophobicContact CD2-CE2 3.68Å; L397-F421 HydrophobicContact CD2-CZ 4.4Å; I399-F421 HydrophobicContact CD1-CB 3.88Å; I399-F421 HydrophobicContact CD1-CD2 4.36Å; I417-F421 WeakPolarHBondContact O-CB 3.24Å; I417-F421 PolarHBondContact O-N 3.43Å; C418-F421 PolarHBondContact O-N 2.95Å; C418-F421 VanDerWaalsContact O-N 3.16Å
422	F	89.2	Confident	90.2	Very high	22 Å²	22	24.7 Å²	24.7	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-85.8	-25.8	-179.9	-67.8	-72.1	0	0	0	112.6	I314 F316 F321 L324 L375 C418	I314-F422 HydrophobicContact CB-CD2 4.25Å; I314-F422 HydrophobicContact CB-CE2 4.22Å; I314-F422 HydrophobicContact CD1-CE2 4.05Å; I314-F422 HydrophobicContact CG1-CD2 3.93Å; I314-F422 HydrophobicContact CG1-CE2 3.74Å; I314-F422 HydrophobicContact CG2-CD2 4.01Å; I314-F422 HydrophobicContact CG2-CE1 4.34Å; I314-F422 HydrophobicContact CG2-CE2 3.72Å; I314-F422 HydrophobicContact CG2-CG 4.46Å; I314-F422 HydrophobicContact CG2-CZ 3.91Å; F316-F422 HydrophobicContact CD1-CE1 4.04Å; F321-F422 HydrophobicContact CD2-CE1 4.1Å; F321-F422 AromaticContact CE2-CE1 3.74Å; F321-F422 HydrophobicContact CE2-CE1 3.74Å; F321-F422 HydrophobicContact CE2-CZ 4.29Å; L324-F422 HydrophobicContact CD1-CD1 3.95Å; L324-F422 HydrophobicContact CD1-CE1 4.27Å; L375-F422 HydrophobicContact CD1-CZ 4.07Å; C418-F422 HydrophobicContact CB-CD2 4.21Å; C418-F422 HydrophobicContact CB-CE2 4.44Å; C418-F422 WeakPolarHBondContact O-CD2 3.24Å; C418-F422 PolarHBondContact O-N 3.38Å
423	G	87.6	Confident	90.5	Very high	31 Å²	31	24.9 Å²	24.9	32%	0.32	12%	0.123	S	C	.	.			trans	68.2	-140.8	-177.1	0	0	0	0	0	112.4	R419	R419-G423 VanDerWaalsContact O-CA 3.24Å; R419-G423 WeakPolarHBondContact O-CA 3.46Å; R419-G423 PolarHBondContact O-N 3.16Å
424	D	89.5	Confident	90.7	Very high	83 Å²	83	30.1 Å²	30.1	44%	0.444	15%	0.147	S	C	.	.	S	Bend	trans	-70.3	151.5	-178.2	-81.5	23.2	0	0	0	112.8	Q148 T426	Q148-D424 VanDerWaalsContact CD-CG 3.45Å; Q148-D424 HydrophobicContact CG-CB 4.36Å; Q148-D424 VanDerWaalsContact NE2-CB 3.26Å; Q148-D424 PolarHBondContact NE2-OD2 3.04Å; D424-T426 HydrophobicContact CB-CG2 4.08Å; D424-T426 PolarHBondContact O-N 3.36Å; D424-T426 PolarHBondContact O-OG1 3.17Å
425	F	92.9	Very high	90.9	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.026	16%	0.16	C	C	.	.			trans	-75.2	43.8	179.9	-80	28.9	0	0	0	112.8	F141 C144 L145 M186 N313 C315 S427 F428	F141-F425 HydrophobicContact CD2-CD2 4.39Å; F141-F425 AromaticContact CD2-CE2 3.84Å; F141-F425 HydrophobicContact CD2-CE2 3.84Å; F141-F425 HydrophobicContact CE1-CD2 4.27Å; F141-F425 AromaticContact CE2-CD2 3.76Å; F141-F425 HydrophobicContact CE2-CD2 3.76Å; F141-F425 AromaticContact CE2-CE2 3.56Å; F141-F425 HydrophobicContact CE2-CE2 3.56Å; F141-F425 HydrophobicContact CG-CE2 4.47Å; F141-F425 AromaticContact CZ-CD2 3.69Å; F141-F425 HydrophobicContact CZ-CD2 3.69Å; F141-F425 AromaticContact CZ-CE2 3.98Å; F141-F425 HydrophobicContact CZ-CE2 3.98Å; C144-F425 HydrophobicContact CB-CD2 4.23Å; C144-F425 HydrophobicContact CB-CE1 4.2Å; C144-F425 HydrophobicContact CB-CE2 3.44Å; C144-F425 VanDerWaalsContact CB-CE2 3.44Å; C144-F425 HydrophobicContact CB-CZ 3.44Å; C144-F425 VanDerWaalsContact CB-CZ 3.44Å; L145-F425 HydrophobicContact CD2-CB 3.85Å; L145-F425 HydrophobicContact CD2-CD2 3.63Å; L145-F425 HydrophobicContact CD2-CG 4.07Å; M186-F425 HydrophobicContact CE-CB 4.19Å; N313-F425 HydrophobicContact CB-CE1 4.43Å; C315-F425 HydrophobicContact CB-CB 4.46Å; C315-F425 HydrophobicContact CB-CD1 3.85Å; C315-F425 HydrophobicContact CB-CD2 3.61Å; C315-F425 HydrophobicContact CB-CE1 3.9Å; C315-F425 HydrophobicContact CB-CE2 3.68Å; C315-F425 HydrophobicContact CB-CG 3.71Å; C315-F425 HydrophobicContact CB-CZ 3.82Å; F425-S427 PolarHBondContact O-N 2.87Å; F425-S427 VanDerWaalsContact O-N 3.17Å; F425-F428 WeakPolarHBondContact O-CB 3.23Å; F425-F428 PolarHBondContact O-N 3.36Å
426	T	92	Very high	91.2	Very high	30 Å²	30	32.2 Å²	32.2	18%	0.184	16%	0.156	C	C	.	.	H	α-helix	trans	-54	-32.6	176.3	55.1	0	0	0	0	112.8	D424 F428 V429 D430	D424-T426 HydrophobicContact CB-CG2 4.08Å; D424-T426 PolarHBondContact O-N 3.36Å; D424-T426 PolarHBondContact O-OG1 3.17Å; T426-F428 VanDerWaalsContact C-N 3.33Å; T426-F428 PolarHBondContact O-N 3.46Å; T426-V429 WeakPolarHBondContact O-CB 3.19Å; T426-V429 PolarHBondContact O-N 2.82Å; T426-D430 PolarHBondContact O-N 3.01Å
427	S	91.2	Very high	91.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-32.8	177.5	59.5	0	0	0	0	113.9	C315 F316 S320 F425 V431	C315-S427 PolarHBondContact O-OG 2.87Å; C315-S427 PolarHBondContact SG-OG 2.95Å; F316-S427 WeakPolarHBondContact CA-OG 3.43Å; F316-S427 PolarHBondContact N-OG 2.84Å; S320-S427 WeakPolarHBondContact OG-CB 3.48Å; F425-S427 PolarHBondContact O-N 2.87Å; F425-S427 VanDerWaalsContact O-N 3.17Å; S427-V431 WeakPolarHBondContact O-CG2 3.48Å; S427-V431 PolarHBondContact O-N 3.28Å; S427-V431 VanDerWaalsContact O-N 3.09Å
428	F	94.7	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-46.3	172.1	167.1	-103.7	0	0	0	110.5	L130 F141 L145 M186 I198 M222 F425 T426 D430 V431 V432	L130-F428 HydrophobicContact CD2-CE2 3.92Å; L130-F428 HydrophobicContact CD2-CZ 4.21Å; F141-F428 HydrophobicContact CE1-CB 4.48Å; F141-F428 AromaticContact CE1-CD2 3.77Å; F141-F428 HydrophobicContact CE1-CD2 3.77Å; F141-F428 HydrophobicContact CE1-CE2 4.17Å; F141-F428 HydrophobicContact CE1-CG 4.08Å; F141-F428 HydrophobicContact CZ-CB 4.06Å; F141-F428 AromaticContact CZ-CD2 3.95Å; F141-F428 HydrophobicContact CZ-CD2 3.95Å; F141-F428 HydrophobicContact CZ-CG 4.14Å; L145-F428 HydrophobicContact CD1-CE1 4.27Å; M186-F428 HydrophobicContact CE-CD1 4.42Å; M186-F428 HydrophobicContact SD-CD1 4.11Å; M186-F428 HydrophobicContact SD-CE1 4.21Å; I198-F428 HydrophobicContact CD1-CE1 3.85Å; I198-F428 HydrophobicContact CD1-CZ 3.97Å; I198-F428 HydrophobicContact CG1-CZ 4.4Å; M222-F428 HydrophobicContact CE-CD2 3.67Å; M222-F428 HydrophobicContact CE-CE2 3.94Å; M222-F428 HydrophobicContact SD-CD2 3.6Å; M222-F428 HydrophobicContact SD-CE2 3.74Å; F425-F428 WeakPolarHBondContact O-CB 3.23Å; F425-F428 PolarHBondContact O-N 3.36Å; T426-F428 VanDerWaalsContact C-N 3.33Å; T426-F428 PolarHBondContact O-N 3.46Å; F428-D430 PolarHBondContact O-N 2.7Å; F428-V431 PolarHBondContact O-N 2.66Å; F428-V432 HydrophobicContact CD2-CG2 4.13Å; F428-V432 HydrophobicContact CE1-CG2 4.44Å; F428-V432 HydrophobicContact CE2-CG2 3.76Å; F428-V432 HydrophobicContact CZ-CG2 3.94Å; F428-V432 WeakPolarHBondContact O-CB 3.47Å; F428-V432 VanDerWaalsContact O-CG2 3.32Å; F428-V432 WeakPolarHBondContact O-CG2 3.46Å; F428-V432 PolarHBondContact O-N 3.09Å
429	V	94.4	Very high	91.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62	-42.7	177.8	-179.6	0	0	0	0	111.3	M186 Q187 D188 Y194 M196 T426 T433	M186-V429 HydrophobicContact CB-CG2 3.6Å; M186-V429 HydrophobicContact CE-CG2 3.93Å; M186-V429 HydrophobicContact SD-CG2 4.14Å; Q187-V429 WeakPolarHBondContact O-CB 3.41Å; Q187-V429 WeakPolarHBondContact O-CG2 3.43Å; D188-V429 HydrophobicContact CB-CG1 3.81Å; Y194-V429 HydrophobicContact CD2-CG1 4.14Å; M196-V429 HydrophobicContact CE-CB 4.14Å; M196-V429 HydrophobicContact CE-CG1 3.69Å; M196-V429 HydrophobicContact CE-CG2 4.16Å; T426-V429 WeakPolarHBondContact O-CB 3.19Å; T426-V429 PolarHBondContact O-N 2.82Å; V429-T433 HydrophobicContact CG1-CG2 3.97Å; V429-T433 VanDerWaalsContact O-CB 3.29Å; V429-T433 WeakPolarHBondContact O-CB 3.22Å; V429-T433 WeakPolarHBondContact O-CG2 3.36Å; V429-T433 PolarHBondContact O-N 3.4Å; V429-T433 PolarHBondContact O-OG1 3.45Å
430	D	93.5	Very high	91.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-51.8	175.4	-81.8	11.9	0	0	0	112	D188 T189 T426 F428 V432 T433 Q434	D188-D430 WeakPolarHBondContact CB-OD1 3.29Å; T189-D430 WeakPolarHBondContact CB-OD2 3.5Å; T189-D430 WeakPolarHBondContact CG2-OD2 3.13Å; T189-D430 PolarHBondContact N-OD1 2.87Å; T189-D430 VanDerWaalsContact OG1-CG 3.28Å; T189-D430 PolarHBondContact OG1-OD1 2.72Å; T189-D430 VanDerWaalsContact OG1-OD1 3.12Å; T189-D430 PolarHBondContact OG1-OD2 2.88Å; T426-D430 PolarHBondContact O-N 3.01Å; F428-D430 PolarHBondContact O-N 2.7Å; D430-V432 VanDerWaalsContact C-N 3.34Å; D430-V432 PolarHBondContact O-N 2.87Å; D430-T433 PolarHBondContact O-N 2.76Å; D430-T433 PolarHBondContact O-OG1 2.87Å; D430-Q434 VanDerWaalsContact O-CB 3.3Å; D430-Q434 WeakPolarHBondContact O-CB 2.81Å; D430-Q434 WeakPolarHBondContact O-CG 3.45Å; D430-Q434 PolarHBondContact O-N 3.06Å; D430-Q434 VanDerWaalsContact O-N 3.1Å
431	V	93.9	Very high	91.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-48.7	-180	170.9	0	0	0	0	110.3	M222 T250 G303 C306 S427 F428 H435	M222-V431 HydrophobicContact CE-CB 4.25Å; M222-V431 HydrophobicContact CE-CG1 3.71Å; T250-V431 HydrophobicContact CG2-CG1 3.8Å; G303-V431 VanDerWaalsContact O-CG2 3.3Å; G303-V431 WeakPolarHBondContact O-CG2 3.3Å; C306-V431 HydrophobicContact CB-CG2 4.14Å; S427-V431 WeakPolarHBondContact O-CG2 3.48Å; S427-V431 PolarHBondContact O-N 3.28Å; S427-V431 VanDerWaalsContact O-N 3.09Å; F428-V431 PolarHBondContact O-N 2.66Å; V431-H435 WeakPolarHBondContact O-CB 3.5Å; V431-H435 PolarHBondContact O-N 2.89Å; V431-H435 VanDerWaalsContact O-N 3.15Å; V431-H435 PolarHBondContact O-ND1 3.08Å; V431-H435 VanDerWaalsContact O-ND1 3.15Å
432	V	93.9	Very high	91.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-50.9	179.3	167.7	0	0	0	0	111.6	R126 V128 M196 M222 F428 D430 Q434 H435 V436	R126-V432 HydrophobicContact CB-CG1 3.83Å; R126-V432 HydrophobicContact CG-CG1 3.92Å; V128-V432 HydrophobicContact CG1-CG2 4.47Å; V128-V432 HydrophobicContact CG2-CB 4.49Å; V128-V432 HydrophobicContact CG2-CG1 3.5Å; V128-V432 HydrophobicContact CG2-CG2 4.11Å; M196-V432 HydrophobicContact CE-CB 4.24Å; M196-V432 HydrophobicContact CE-CG1 3.85Å; M196-V432 HydrophobicContact SD-CG1 3.87Å; M222-V432 HydrophobicContact CE-CG2 4.16Å; F428-V432 HydrophobicContact CD2-CG2 4.13Å; F428-V432 HydrophobicContact CE1-CG2 4.44Å; F428-V432 HydrophobicContact CE2-CG2 3.76Å; F428-V432 HydrophobicContact CZ-CG2 3.94Å; F428-V432 WeakPolarHBondContact O-CB 3.47Å; F428-V432 VanDerWaalsContact O-CG2 3.32Å; F428-V432 WeakPolarHBondContact O-CG2 3.46Å; F428-V432 PolarHBondContact O-N 3.09Å; D430-V432 VanDerWaalsContact C-N 3.34Å; D430-V432 PolarHBondContact O-N 2.87Å; V432-Q434 VanDerWaalsContact C-N 3.27Å; V432-Q434 PolarHBondContact O-N 3.15Å; V432-H435 PolarHBondContact O-N 2.92Å; V432-V436 HydrophobicContact CG1-CB 4.15Å; V432-V436 HydrophobicContact CG1-CG2 4.19Å; V432-V436 WeakPolarHBondContact O-CA 3.42Å; V432-V436 WeakPolarHBondContact O-CB 3.12Å; V432-V436 PolarHBondContact O-N 2.81Å
433	T	92.8	Very high	91.3	Very high	17 Å²	17	26.3 Å²	26.3	10%	0.104	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-26.9	-173.7	54.1	0	0	0	0	113.6	R126 Y194 M196 V429 D430	R126-T433 HydrophobicContact CG-CG2 4.5Å; R126-T433 PolarHBondContact NH2-O 2.94Å; Y194-T433 HydrophobicContact CD1-CG2 3.64Å; Y194-T433 HydrophobicContact CD2-CG2 3.77Å; Y194-T433 HydrophobicContact CE1-CG2 3.72Å; Y194-T433 HydrophobicContact CE2-CG2 3.88Å; Y194-T433 HydrophobicContact CG-CG2 3.66Å; M196-T433 HydrophobicContact CE-CG2 3.93Å; V429-T433 HydrophobicContact CG1-CG2 3.97Å; V429-T433 VanDerWaalsContact O-CB 3.29Å; V429-T433 WeakPolarHBondContact O-CB 3.22Å; V429-T433 WeakPolarHBondContact O-CG2 3.36Å; V429-T433 PolarHBondContact O-N 3.4Å; V429-T433 PolarHBondContact O-OG1 3.45Å; D430-T433 PolarHBondContact O-N 2.76Å; D430-T433 PolarHBondContact O-OG1 2.87Å
434	Q	92	Very high	91.4	Very high	111 Å²	111	29.7 Å²	29.7	52%	0.519	16%	0.159	S	C	.	.	H	α-helix	trans	-83.6	-35	178.2	-67.1	171	33.8	0	0	113.4	D430 V432	D430-Q434 VanDerWaalsContact O-CB 3.3Å; D430-Q434 WeakPolarHBondContact O-CB 2.81Å; D430-Q434 WeakPolarHBondContact O-CG 3.45Å; D430-Q434 PolarHBondContact O-N 3.06Å; D430-Q434 VanDerWaalsContact O-N 3.1Å; V432-Q434 VanDerWaalsContact C-N 3.27Å; V432-Q434 PolarHBondContact O-N 3.15Å
435	H	92.6	Very high	91.3	Very high	60 Å²	60	27.9 Å²	27.9	28%	0.278	15%	0.153	S	C	.	.	H	α-helix	trans	-112	-25.1	-171.9	-63	88.6	0	0	0	114.7	T250 L302 G303 N304 V431 V432	T250-H435 HydrophobicContact CG2-CB 3.65Å; L302-H435 PolarHBondContact O-CE1 2.87Å; L302-H435 VanDerWaalsContact O-CE1 3.24Å; L302-H435 PolarHBondContact O-NE2 2.96Å; G303-H435 PolarHBondContact O-CE1 3.32Å; G303-H435 VanDerWaalsContact O-CE1 3.23Å; G303-H435 PolarHBondContact O-ND1 3.15Å; N304-H435 PolarHBondContact N-CE1 3.3Å; V431-H435 WeakPolarHBondContact O-CB 3.5Å; V431-H435 PolarHBondContact O-N 2.89Å; V431-H435 VanDerWaalsContact O-N 3.15Å; V431-H435 PolarHBondContact O-ND1 3.08Å; V431-H435 VanDerWaalsContact O-ND1 3.15Å; V432-H435 PolarHBondContact O-N 2.92Å
436	V	92.3	Very high	91.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	15%	0.152	C	C	.	.	S	Bend	trans	-91	121	173.4	-178.1	0	0	0	0	108.6	R126 V128 D219 T250 V432	R126-V436 WeakPolarHBondContact CD-O 3.12Å; R126-V436 PolarHBondContact NE-O 3.08Å; V128-V436 HydrophobicContact CG2-CG1 4.43Å; V128-V436 HydrophobicContact CG2-CG2 4.47Å; D219-V436 HydrophobicContact CB-CG1 4.19Å; T250-V436 HydrophobicContact CG2-CG2 4.32Å; V432-V436 HydrophobicContact CG1-CB 4.15Å; V432-V436 HydrophobicContact CG1-CG2 4.19Å; V432-V436 WeakPolarHBondContact O-CA 3.42Å; V432-V436 WeakPolarHBondContact O-CB 3.12Å; V432-V436 PolarHBondContact O-N 2.81Å
437	P	92.4	Very high	91	Very high	33 Å²	33	26.4 Å²	26.4	21%	0.214	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-63.7	154.6	177.8	27	-34	0	0	0	111.3	A248 T441 N442	A248-P437 HydrophobicContact CB-CG 4.46Å; P437-T441 WeakPolarHBondContact CB-OG1 3.33Å; P437-N442 HydrophobicContact CB-CB 3.97Å; P437-N442 HydrophobicContact CG-CB 3.74Å
438	S	92.2	Very high	90.8	Very high	8 Å²	8	31.9 Å²	31.9	6%	0.056	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-69.9	157.4	167.1	74.7	0	0	0	0	110.3	V440 T441 N442	S438-V440 PolarHBondContact O-N 2.99Å; S438-V440 VanDerWaalsContact O-N 3.16Å; S438-T441 PolarHBondContact N-OG1 3.15Å; S438-T441 PolarHBondContact O-N 2.96Å; S438-T441 PolarHBondContact O-OG1 2.82Å; S438-T441 PolarHBondContact OG-N 3.26Å; S438-T441 PolarHBondContact OG-OG1 2.8Å; S438-N442 WeakPolarHBondContact O-CB 3.32Å; S438-N442 PolarHBondContact O-N 3.42Å
439	P	88.1	Confident	90.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-46.2	-44	174.2	-33	37.3	0	0	0	114	I125 N442 G443	I125-P439 HydrophobicContact CB-CG 4.16Å; I125-P439 HydrophobicContact CG2-CG 4.23Å; I125-P439 VanDerWaalsContact O-CD 3.31Å; I125-P439 WeakPolarHBondContact O-CD 3.31Å; P439-N442 PolarHBondContact O-N 2.87Å; P439-G443 PolarHBondContact O-N 3.39Å; P439-G443 VanDerWaalsContact O-N 3.14Å
440	V	88.4	Confident	90.1	Very high	54 Å²	54	34.5 Å²	34.5	33%	0.327	18%	0.183	S	C	.	.	H	α-helix	trans	-64.9	-47.3	178.8	-177.1	0	0	0	0	111.3	T122 S438 N442 G443 C466	T122-V440 WeakPolarHBondContact OG1-CG2 3.23Å; S438-V440 PolarHBondContact O-N 2.99Å; S438-V440 VanDerWaalsContact O-N 3.16Å; V440-N442 VanDerWaalsContact C-N 3.29Å; V440-N442 PolarHBondContact O-N 3.42Å; V440-G443 PolarHBondContact O-N 2.85Å; V440-C466 HydrophobicContact CG2-CB 4.33Å
441	T	89.6	Confident	89.9	Confident	97 Å²	97	34.7 Å²	34.7	60%	0.595	18%	0.183	S	C	*	.	H	α-helix	trans	-71.4	-23.2	179.9	49.9	0	0	0	0	113.5	P437 S438	P437-T441 WeakPolarHBondContact CB-OG1 3.33Å; S438-T441 PolarHBondContact N-OG1 3.15Å; S438-T441 PolarHBondContact O-N 2.96Å; S438-T441 PolarHBondContact O-OG1 2.82Å; S438-T441 PolarHBondContact OG-N 3.26Å; S438-T441 PolarHBondContact OG-OG1 2.8Å
442	N	88.8	Confident	89.6	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.064	20%	0.202	C	C	.	.	H	α-helix	trans	-92.2	-9.6	-179.3	-158	40.1	0	0	0	113.7	D219 P437 S438 P439 V440 F444 S445 K446	D219-N442 WeakPolarHBondContact CA-ND2 3.38Å; D219-N442 HydrophobicContact CB-CB 4.34Å; D219-N442 WeakPolarHBondContact CB-ND2 3.16Å; D219-N442 PolarHBondContact OD1-ND2 2.84Å; P437-N442 HydrophobicContact CB-CB 3.97Å; P437-N442 HydrophobicContact CG-CB 3.74Å; S438-N442 WeakPolarHBondContact O-CB 3.32Å; S438-N442 PolarHBondContact O-N 3.42Å; P439-N442 PolarHBondContact O-N 2.87Å; V440-N442 VanDerWaalsContact C-N 3.29Å; V440-N442 PolarHBondContact O-N 3.42Å; N442-F444 VanDerWaalsContact C-N 3.35Å; N442-F444 PolarHBondContact O-N 3.42Å; N442-S445 PolarHBondContact O-N 3.46Å; N442-K446 WeakPolarHBondContact O-CB 3.2Å; N442-K446 PolarHBondContact O-N 2.81Å
443	G	84.3	Confident	89.2	Confident	3 Å²	3	38.3 Å²	38.3	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-51.8	-49.7	-172.1	0	0	0	0	0	112.8	P439 V440 K446 M447	P439-G443 PolarHBondContact O-N 3.39Å; P439-G443 VanDerWaalsContact O-N 3.14Å; V440-G443 PolarHBondContact O-N 2.85Å; G443-K446 PolarHBondContact O-N 2.83Å; G443-M447 VanDerWaalsContact O-CB 3.27Å; G443-M447 WeakPolarHBondContact O-CB 3.29Å; G443-M447 WeakPolarHBondContact O-CG 3.3Å; G443-M447 PolarHBondContact O-N 3.17Å
444	F	89.4	Confident	88.9	Confident	103 Å²	103	40.4 Å²	40.4	45%	0.452	22%	0.222	S	C	.	.	H	α-helix	trans	-54.8	-60.9	177.8	-174	-88.3	0	0	0	112.8	N442 K446 M447 E448 W460 V464	N442-F444 VanDerWaalsContact C-N 3.35Å; N442-F444 PolarHBondContact O-N 3.42Å; F444-K446 VanDerWaalsContact C-N 3.28Å; F444-K446 PolarHBondContact O-N 3.34Å; F444-M447 PolarHBondContact O-N 3.38Å; F444-E448 WeakPolarHBondContact O-CB 3.42Å; F444-E448 PolarHBondContact O-N 3.21Å; F444-W460 HydrophobicContact CD2-CZ2 4.14Å; F444-W460 AromaticContact CE2-CZ2 3.99Å; F444-W460 HydrophobicContact CE2-CZ2 3.99Å; F444-V464 HydrophobicContact CB-CG1 3.99Å; F444-V464 HydrophobicContact CD2-CG1 4.27Å; F444-V464 HydrophobicContact CD2-CG2 4.5Å
445	S	87.6	Confident	88.6	Confident	45 Å²	45	39.1 Å²	39.1	32%	0.315	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-33.6	-175.1	-55.3	0	0	0	0	112.9	N442	N442-S445 PolarHBondContact O-N 3.46Å
446	K	88.6	Confident	88.1	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.022	25%	0.249	C	C	.	.	H	α-helix	trans	-76.1	-39.1	178.3	-161.5	74.2	-179.2	-170.1	0	111.7	F215 R216 C218 N442 G443 F444 N450 F495	F215-K446 PolarHBondContact O-NZ 3.31Å; R216-K446 WeakPolarHBondContact O-CE 3.25Å; R216-K446 PolarHBondContact O-NZ 3.18Å; C218-K446 PolarHBondContact O-NZ 2.82Å; N442-K446 WeakPolarHBondContact O-CB 3.2Å; N442-K446 PolarHBondContact O-N 2.81Å; G443-K446 PolarHBondContact O-N 2.83Å; F444-K446 VanDerWaalsContact C-N 3.28Å; F444-K446 PolarHBondContact O-N 3.34Å; K446-N450 VanDerWaalsContact O-CB 3.3Å; K446-N450 WeakPolarHBondContact O-CB 3.34Å; K446-N450 PolarHBondContact O-N 2.6Å; K446-N450 PolarHBondContact O-ND2 3.14Å; K446-F495 HydrophobicContact CG-CE1 4.37Å
447	M	89.9	Confident	87.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76.1	-35.7	-178.5	-65.5	-63.2	98.3	0	0	112.7	G443 F444 L449 N450 Y451 W460 L463 V464 F495 F595	G443-M447 VanDerWaalsContact O-CB 3.27Å; G443-M447 WeakPolarHBondContact O-CB 3.29Å; G443-M447 WeakPolarHBondContact O-CG 3.3Å; G443-M447 PolarHBondContact O-N 3.17Å; F444-M447 PolarHBondContact O-N 3.38Å; M447-L449 PolarHBondContact O-N 2.98Å; M447-N450 PolarHBondContact O-N 2.96Å; M447-Y451 WeakPolarHBondContact O-CB 3.31Å; M447-Y451 PolarHBondContact O-N 2.86Å; M447-W460 HydrophobicContact CB-CE3 4.26Å; M447-W460 HydrophobicContact CB-CH2 4.05Å; M447-W460 HydrophobicContact CB-CZ3 3.67Å; M447-L463 HydrophobicContact CG-CB 3.93Å; M447-L463 HydrophobicContact SD-CB 3.86Å; M447-L463 HydrophobicContact SD-CD1 4.04Å; M447-L463 HydrophobicContact SD-CD2 3.95Å; M447-L463 HydrophobicContact SD-CG 4.19Å; M447-V464 HydrophobicContact CB-CG2 4.38Å; M447-F495 HydrophobicContact CE-CD1 3.52Å; M447-F495 HydrophobicContact CE-CD2 4.37Å; M447-F495 HydrophobicContact CE-CE1 3.39Å; M447-F495 HydrophobicContact CE-CE2 4.24Å; M447-F495 HydrophobicContact CE-CG 4.03Å; M447-F495 HydrophobicContact CE-CZ 3.77Å; M447-F495 HydrophobicContact SD-CD1 4.34Å; M447-F595 HydrophobicContact CE-CE1 4.02Å; M447-F595 HydrophobicContact SD-CE1 3.77Å; M447-F595 HydrophobicContact SD-CZ 4.49Å
448	E	88.4	Confident	87.5	Confident	114 Å²	114	52 Å²	52	53%	0.533	28%	0.283	S	S	.	.	H	α-helix	trans	-56.5	-38	176	-176.7	174.8	-141.2	0	0	112.5	F444 W460	F444-E448 WeakPolarHBondContact O-CB 3.42Å; F444-E448 PolarHBondContact O-N 3.21Å; E448-W460 HydrophobicContact CB-CH2 4.09Å
449	L	86.1	Confident	87.3	Confident	54 Å²	54	52.8 Å²	52.8	28%	0.283	29%	0.287	S	S	.	.	H	α-helix	trans	-82.1	-37.9	177	-168.9	67.7	0	0	0	113.1	M447 R596	M447-L449 PolarHBondContact O-N 2.98Å; L449-R596 VanDerWaalsContact O-CD 3.31Å; L449-R596 WeakPolarHBondContact O-CD 3.27Å; L449-R596 PolarHBondContact O-NE 3.31Å; L449-R596 VanDerWaalsContact O-NE 3.09Å; L449-R596 PolarHBondContact O-NH1 3.49Å; L449-R596 PolarHBondContact O-NH2 3.34Å
450	N	87.8	Confident	87.3	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.011	29%	0.29	C	S	.	.	H	α-helix	trans	-103.6	-23.6	-164.2	-67.9	-61.4	0	0	0	115.5	R216 K446 M447 F595 R596	R216-N450 WeakPolarHBondContact CD-OD1 3.22Å; R216-N450 PolarHBondContact NE-OD1 2.82Å; K446-N450 VanDerWaalsContact O-CB 3.3Å; K446-N450 WeakPolarHBondContact O-CB 3.34Å; K446-N450 PolarHBondContact O-N 2.6Å; K446-N450 PolarHBondContact O-ND2 3.14Å; M447-N450 PolarHBondContact O-N 2.96Å; N450-F595 HydrophobicContact CB-CD1 4.5Å; N450-F595 CarbonylContact O-C 3.57Å; N450-F595 VanDerWaalsContact O-CA 3.28Å; N450-F595 WeakPolarHBondContact O-CA 3.38Å; N450-R596 PolarHBondContact O-N 2.69Å
451	Y	89.4	Confident	87.4	Confident	8 Å²	8	55.7 Å²	55.7	3%	0.031	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-82.3	141.7	178.2	-170.1	-126.4	0	0	0	110.6	M447 G453 W460 L463 M473 F595	M447-Y451 WeakPolarHBondContact O-CB 3.31Å; M447-Y451 PolarHBondContact O-N 2.86Å; Y451-G453 WeakPolarHBondContact CD1-O 3.49Å; Y451-W460 AromaticContact CD1-CE3 3.97Å; Y451-W460 HydrophobicContact CD1-CE3 3.97Å; Y451-L463 HydrophobicContact CD1-CD1 4.44Å; Y451-L463 HydrophobicContact CD2-CD1 3.99Å; Y451-L463 HydrophobicContact CE1-CD1 4.44Å; Y451-L463 HydrophobicContact CE2-CD1 4.03Å; Y451-L463 HydrophobicContact CG-CD1 4.21Å; Y451-M473 HydrophobicContact CE2-CE 4.16Å; Y451-F595 HydrophobicContact CD2-CD1 4.31Å; Y451-F595 HydrophobicContact CD2-CE1 4.18Å
452	T	87.3	Confident	87.3	Confident	64 Å²	64	51.5 Å²	51.5	39%	0.393	27%	0.274	S	S	.	.			trans	-93.5	-18.7	176	61.2	0	0	0	0	113.2	I594 R596	T452-I594 WeakPolarHBondContact CB-O 3.32Å; T452-I594 HydrophobicContact CG2-CG1 4.15Å; T452-I594 WeakPolarHBondContact CG2-O 3.49Å; T452-I594 PolarHBondContact N-O 3.41Å; T452-I594 VanDerWaalsContact N-O 3.16Å; T452-I594 PolarHBondContact OG1-N 3.27Å; T452-I594 PolarHBondContact OG1-O 2.77Å; T452-R596 HydrophobicContact CG2-CG 3.64Å
453	G	85	Confident	87.3	Confident	12 Å²	12	51 Å²	51	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	-80.9	175.9	-178	0	0	0	0	0	114.8	Y451	Y451-G453 WeakPolarHBondContact CD1-O 3.49Å
454	P	86.6	Confident	87.5	Confident	62 Å²	62	52.3 Å²	52.3	40%	0.403	28%	0.279	S	S	.	.			trans	-73.1	138.2	-173.8	28.7	-35	0	0	0	113.4	K456 S457 Y593	P454-K456 PolarHBondContact O-N 2.84Å; P454-S457 PolarHBondContact O-OG 3.07Å; P454-Y593 VanDerWaalsContact CD-CE2 3.46Å; P454-Y593 HydrophobicContact CG-CE2 4.33Å
455	T	85.2	Confident	87.5	Confident	84 Å²	84	50.2 Å²	50.2	52%	0.515	28%	0.278	S	S	.	.	S	Bend	trans	-72.2	11.5	178.8	58.6	0	0	0	0	115.3	W460	T455-W460 HydrophobicContact CG2-CD2 4.25Å; T455-W460 HydrophobicContact CG2-CE3 4.11Å; T455-W460 HydrophobicContact CG2-CH2 3.8Å; T455-W460 HydrophobicContact CG2-CZ2 3.94Å; T455-W460 HydrophobicContact CG2-CZ3 3.89Å; T455-W460 PolarHBondContact O-NE1 3.45Å
456	K	83.8	Confident	87.4	Confident	195 Å²	195	48.2 Å²	48.2	85%	0.848	26%	0.264	S	S	*	.	S	Bend	trans	-136.4	67.8	176.6	-66	-173.2	-179	-177.2	0	108.6	P454	P454-K456 PolarHBondContact O-N 2.84Å
457	S	85.4	Confident	87.3	Confident	26 Å²	26	51 Å²	51	18%	0.182	28%	0.279	C	S	.	.	S	Bend	trans	-145.1	151.9	178.9	57.5	0	0	0	0	109.7	P454 I459 W460 D461	P454-S457 PolarHBondContact O-OG 3.07Å; S457-I459 PolarHBondContact O-N 3.04Å; S457-W460 WeakPolarHBondContact O-CA 3.25Å; S457-W460 WeakPolarHBondContact O-CB 3.44Å; S457-W460 PolarHBondContact O-N 3.36Å; S457-W460 WeakPolarHBondContact OG-CB 3.5Å; S457-W460 PolarHBondContact OG-N 2.75Å; S457-D461 PolarHBondContact O-N 2.94Å
458	D	85.8	Confident	86.9	Confident	143 Å²	143	52.4 Å²	52.4	77%	0.765	29%	0.288	S	S	*	.	H	α-helix	trans	-59.1	-33.4	179.3	-51.4	-19.6	0	0	0	111.4	D461 A462	D458-D461 PolarHBondContact O-N 2.77Å; D458-A462 WeakPolarHBondContact O-CB 3.37Å; D458-A462 PolarHBondContact O-N 2.78Å; D458-A462 VanDerWaalsContact O-N 3.08Å
459	I	87.1	Confident	86.8	Confident	26 Å²	26	53 Å²	53	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-44.1	172.4	-59.6	174.8	0	0	0	110.8	S457 A462 L463 P471 M473 V592	S457-I459 PolarHBondContact O-N 3.04Å; I459-A462 PolarHBondContact O-N 3.21Å; I459-L463 HydrophobicContact CG2-CD1 3.83Å; I459-L463 HydrophobicContact CG2-CG 4.22Å; I459-L463 VanDerWaalsContact O-CB 3.32Å; I459-L463 WeakPolarHBondContact O-CB 3.43Å; I459-L463 WeakPolarHBondContact O-CG 3.31Å; I459-L463 PolarHBondContact O-N 2.84Å; I459-P471 HydrophobicContact CG1-CG 4.24Å; I459-M473 HydrophobicContact CG2-CE 4.44Å; I459-M473 HydrophobicContact CG2-CG 4.14Å; I459-M473 HydrophobicContact CG2-SD 4.28Å; I459-V592 HydrophobicContact CD1-CG1 4.33Å; I459-V592 HydrophobicContact CD1-CG2 4.23Å
460	W	88.5	Confident	86.7	Confident	15 Å²	15	51.3 Å²	51.3	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-46.6	177.2	169	-90.7	0	0	0	111.9	F444 M447 E448 Y451 T455 S457 A462 L463 V464	F444-W460 HydrophobicContact CD2-CZ2 4.14Å; F444-W460 AromaticContact CE2-CZ2 3.99Å; F444-W460 HydrophobicContact CE2-CZ2 3.99Å; M447-W460 HydrophobicContact CB-CE3 4.26Å; M447-W460 HydrophobicContact CB-CH2 4.05Å; M447-W460 HydrophobicContact CB-CZ3 3.67Å; E448-W460 HydrophobicContact CB-CH2 4.09Å; Y451-W460 AromaticContact CD1-CE3 3.97Å; Y451-W460 HydrophobicContact CD1-CE3 3.97Å; T455-W460 HydrophobicContact CG2-CD2 4.25Å; T455-W460 HydrophobicContact CG2-CE3 4.11Å; T455-W460 HydrophobicContact CG2-CH2 3.8Å; T455-W460 HydrophobicContact CG2-CZ2 3.94Å; T455-W460 HydrophobicContact CG2-CZ3 3.89Å; T455-W460 PolarHBondContact O-NE1 3.45Å; S457-W460 WeakPolarHBondContact O-CA 3.25Å; S457-W460 WeakPolarHBondContact O-CB 3.44Å; S457-W460 PolarHBondContact O-N 3.36Å; S457-W460 WeakPolarHBondContact OG-CB 3.5Å; S457-W460 PolarHBondContact OG-N 2.75Å; W460-A462 VanDerWaalsContact C-N 3.31Å; W460-A462 PolarHBondContact O-N 3.3Å; W460-L463 PolarHBondContact O-N 3.17Å; W460-V464 HydrophobicContact CD2-CG2 3.92Å; W460-V464 VanDerWaalsContact CE2-CG2 3.5Å; W460-V464 HydrophobicContact CE3-CG2 4.46Å; W460-V464 HydrophobicContact CG-CG2 4.36Å; W460-V464 HydrophobicContact CH2-CG2 4.28Å; W460-V464 HydrophobicContact CZ2-CG2 3.71Å; W460-V464 WeakPolarHBondContact O-CB 3.48Å; W460-V464 WeakPolarHBondContact O-CG2 3.32Å; W460-V464 PolarHBondContact O-N 3.13Å
461	D	90.2	Very high	86.7	Confident	99 Å²	99	52.4 Å²	52.4	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-37.1	-179.4	-71	-23.3	0	0	0	111.7	S457 D458 S465	S457-D461 PolarHBondContact O-N 2.94Å; D458-D461 PolarHBondContact O-N 2.77Å; D461-S465 WeakPolarHBondContact O-CB 3.48Å; D461-S465 PolarHBondContact O-N 2.75Å; D461-S465 PolarHBondContact O-OG 2.93Å
462	A	88.7	Confident	86.6	Confident	9 Å²	9	52.1 Å²	52.1	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-38.2	174	0	0	0	0	0	113.6	D458 I459 W460 S465 C466 D467 P471 S496	D458-A462 WeakPolarHBondContact O-CB 3.37Å; D458-A462 PolarHBondContact O-N 2.78Å; D458-A462 VanDerWaalsContact O-N 3.08Å; I459-A462 PolarHBondContact O-N 3.21Å; W460-A462 VanDerWaalsContact C-N 3.31Å; W460-A462 PolarHBondContact O-N 3.3Å; A462-S465 WeakPolarHBondContact CA-OG 3.36Å; A462-S465 PolarHBondContact O-OG 2.96Å; A462-C466 WeakPolarHBondContact O-CA 3.23Å; A462-C466 PolarHBondContact O-N 3.38Å; A462-D467 PolarHBondContact O-N 3.49Å; A462-D467 VanDerWaalsContact O-N 3.09Å; A462-P471 HydrophobicContact CB-CG 3.89Å; A462-S496 WeakPolarHBondContact CB-OG 3.43Å
463	L	87.6	Confident	86.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-42.1	173.9	-77.1	173.2	0	0	0	112.1	M447 Y451 I459 W460 C466 M473 F495 F595	M447-L463 HydrophobicContact CG-CB 3.93Å; M447-L463 HydrophobicContact SD-CB 3.86Å; M447-L463 HydrophobicContact SD-CD1 4.04Å; M447-L463 HydrophobicContact SD-CD2 3.95Å; M447-L463 HydrophobicContact SD-CG 4.19Å; Y451-L463 HydrophobicContact CD1-CD1 4.44Å; Y451-L463 HydrophobicContact CD2-CD1 3.99Å; Y451-L463 HydrophobicContact CE1-CD1 4.44Å; Y451-L463 HydrophobicContact CE2-CD1 4.03Å; Y451-L463 HydrophobicContact CG-CD1 4.21Å; I459-L463 HydrophobicContact CG2-CD1 3.83Å; I459-L463 HydrophobicContact CG2-CG 4.22Å; I459-L463 VanDerWaalsContact O-CB 3.32Å; I459-L463 WeakPolarHBondContact O-CB 3.43Å; I459-L463 WeakPolarHBondContact O-CG 3.31Å; I459-L463 PolarHBondContact O-N 2.84Å; W460-L463 PolarHBondContact O-N 3.17Å; L463-C466 PolarHBondContact O-N 2.77Å; L463-M473 HydrophobicContact CD2-CB 3.65Å; L463-M473 HydrophobicContact CD2-CG 3.98Å; L463-M473 HydrophobicContact CG-CG 4.44Å; L463-F495 HydrophobicContact CD2-CB 3.55Å; L463-F595 HydrophobicContact CD2-CZ 4.16Å
464	V	90	Very high	86.6	Confident	31 Å²	31	48.8 Å²	48.8	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-70.8	-40.2	-179.9	168.9	0	0	0	0	111.8	F444 M447 W460 C466	F444-V464 HydrophobicContact CB-CG1 3.99Å; F444-V464 HydrophobicContact CD2-CG1 4.27Å; F444-V464 HydrophobicContact CD2-CG2 4.5Å; M447-V464 HydrophobicContact CB-CG2 4.38Å; W460-V464 HydrophobicContact CD2-CG2 3.92Å; W460-V464 VanDerWaalsContact CE2-CG2 3.5Å; W460-V464 HydrophobicContact CE3-CG2 4.46Å; W460-V464 HydrophobicContact CG-CG2 4.36Å; W460-V464 HydrophobicContact CH2-CG2 4.28Å; W460-V464 HydrophobicContact CZ2-CG2 3.71Å; W460-V464 WeakPolarHBondContact O-CB 3.48Å; W460-V464 WeakPolarHBondContact O-CG2 3.32Å; W460-V464 PolarHBondContact O-N 3.13Å; V464-C466 VanDerWaalsContact C-N 3.27Å
465	S	88.4	Confident	86.7	Confident	60 Å²	60	45.8 Å²	45.8	42%	0.42	25%	0.254	S	S	.	.	H	α-helix	trans	-76.2	-14.7	175.2	56.4	0	0	0	0	113.6	D461 A462 D467	D461-S465 WeakPolarHBondContact O-CB 3.48Å; D461-S465 PolarHBondContact O-N 2.75Å; D461-S465 PolarHBondContact O-OG 2.93Å; A462-S465 WeakPolarHBondContact CA-OG 3.36Å; A462-S465 PolarHBondContact O-OG 2.96Å; S465-D467 VanDerWaalsContact C-N 3.31Å
466	C	86.5	Confident	86.7	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.02	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	43.9	-174.4	-158.9	0	0	0	0	111.8	V440 A462 L463 V464 P468 F495 A544 G545	V440-C466 HydrophobicContact CG2-CB 4.33Å; A462-C466 WeakPolarHBondContact O-CA 3.23Å; A462-C466 PolarHBondContact O-N 3.38Å; L463-C466 PolarHBondContact O-N 2.77Å; V464-C466 VanDerWaalsContact C-N 3.27Å; C466-P468 WeakPolarHBondContact O-CD 3.47Å; C466-F495 WeakPolarHBondContact CA-O 3.23Å; C466-F495 PolarHBondContact SG-O 2.93Å; C466-A544 WeakPolarHBondContact O-CB 3.3Å; C466-G545 PolarHBondContact SG-N 2.75Å
467	D	85.9	Confident	86.8	Confident	63 Å²	63	32.9 Å²	32.9	34%	0.337	19%	0.191	S	C	.	.			trans	-69	119.5	-174.3	-174.7	-2.3	0	0	0	111.7	A462 S465 D469 G470 S496 G497	A462-D467 PolarHBondContact O-N 3.49Å; A462-D467 VanDerWaalsContact O-N 3.09Å; S465-D467 VanDerWaalsContact C-N 3.31Å; D467-D469 VanDerWaalsContact C-N 3.29Å; D467-D469 PolarHBondContact O-N 3.15Å; D467-D469 PolarHBondContact OD1-N 2.85Å; D467-G470 PolarHBondContact O-N 3.3Å; D467-S496 CarbonylContact O-C 3.57Å; D467-S496 WeakPolarHBondContact O-CA 3.26Å; D467-S496 PolarHBondContact O-OG 2.83Å; D467-G497 PolarHBondContact O-N 3.44Å
468	P	81.5	Confident	86.7	Confident	29 Å²	29	31.8 Å²	31.8	19%	0.188	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.1	175	-20.2	34.1	0	0	0	115.3	T122 C466 G497 T498 R543 A544	T122-P468 HydrophobicContact CG2-CG 4.39Å; C466-P468 WeakPolarHBondContact O-CD 3.47Å; P468-G497 CarbonylContact O-C 2.83Å; P468-G497 VanDerWaalsContact O-CA 3.22Å; P468-G497 WeakPolarHBondContact O-CA 3.29Å; P468-T498 PolarHBondContact O-N 3.19Å; P468-T498 VanDerWaalsContact O-N 3.16Å; P468-T498 PolarHBondContact O-OG1 3.05Å; P468-R543 HydrophobicContact CB-CB 4.2Å; P468-R543 HydrophobicContact CB-CG 4.25Å; P468-A544 HydrophobicContact CB-CB 4.4Å; P468-A544 HydrophobicContact CG-CB 4.29Å
469	D	85.5	Confident	86.6	Confident	128 Å²	128	25.3 Å²	25.3	68%	0.684	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	2.2	-177.9	-59.1	-34.7	0	0	0	111.7	D467 R543	D467-D469 VanDerWaalsContact C-N 3.29Å; D467-D469 PolarHBondContact O-N 3.15Å; D467-D469 PolarHBondContact OD1-N 2.85Å; D469-R543 IonicContact OD1-NH2 3.72Å
470	G	84.5	Confident	86.4	Confident	17 Å²	17	25 Å²	25	18%	0.175	15%	0.146	C	C	.	.	S	Bend	trans	-77.7	-176	174.4	0	0	0	0	0	115.1	D467 L472 G497	D467-G470 PolarHBondContact O-N 3.3Å; G470-L472 PolarHBondContact O-N 2.87Å; G470-G497 WeakPolarHBondContact O-CA 3.26Å
471	P	87.8	Confident	86	Confident	25 Å²	25	26.3 Å²	26.3	16%	0.162	16%	0.155	C	C	.	.			trans	-58.6	125.6	176.6	24.6	-35.1	0	0	0	111.7	I459 A462 M473 S496 Y589	I459-P471 HydrophobicContact CG1-CG 4.24Å; A462-P471 HydrophobicContact CB-CG 3.89Å; P471-M473 PolarHBondContact O-N 3.13Å; P471-M473 VanDerWaalsContact O-N 3.14Å; P471-S496 CarbonylContact O-C 3.26Å; P471-S496 WeakPolarHBondContact O-CB 3.27Å; P471-S496 PolarHBondContact O-OG 2.72Å; P471-Y589 HydrophobicContact CB-CD2 4.22Å; P471-Y589 HydrophobicContact CB-CE2 3.55Å
472	L	86.7	Confident	85.4	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.016	13%	0.131	C	C	.	.			trans	-56.6	119.1	177.7	179.3	63.6	0	0	0	110.9	G470 V474 V494 S496 L499 V505 T586 M587	G470-L472 PolarHBondContact O-N 2.87Å; L472-V474 HydrophobicContact CD1-CG2 3.73Å; L472-V474 HydrophobicContact CG-CG2 4.32Å; L472-V494 HydrophobicContact CD1-CG1 4.31Å; L472-S496 WeakPolarHBondContact CA-O 3.37Å; L472-L499 HydrophobicContact CD1-CB 4.05Å; L472-L499 HydrophobicContact CD1-CD1 4.27Å; L472-L499 HydrophobicContact CD2-CD1 3.76Å; L472-V505 HydrophobicContact CD2-CG1 3.81Å; L472-T586 VanDerWaalsContact O-CA 3.3Å; L472-T586 WeakPolarHBondContact O-CA 3.29Å; L472-M587 HydrophobicContact CB-CG 3.86Å; L472-M587 HydrophobicContact CD2-CG 4.02Å
473	M	87.4	Confident	84.6	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	111.3	175.1	-69.1	-65.3	-68.9	0	0	109	Y451 I459 L463 P471 F495 S496 V584 T586 V592 F595	Y451-M473 HydrophobicContact CE2-CE 4.16Å; I459-M473 HydrophobicContact CG2-CE 4.44Å; I459-M473 HydrophobicContact CG2-CG 4.14Å; I459-M473 HydrophobicContact CG2-SD 4.28Å; L463-M473 HydrophobicContact CD2-CB 3.65Å; L463-M473 HydrophobicContact CD2-CG 3.98Å; L463-M473 HydrophobicContact CG-CG 4.44Å; P471-M473 PolarHBondContact O-N 3.13Å; P471-M473 VanDerWaalsContact O-N 3.14Å; M473-F495 PolarHBondContact O-N 3.31Å; M473-S496 PolarHBondContact N-O 3.17Å; M473-S496 PolarHBondContact O-N 2.88Å; M473-V584 HydrophobicContact CE-CG1 3.75Å; M473-V584 HydrophobicContact SD-CG1 4.39Å; M473-T586 HydrophobicContact CE-CG2 4.46Å; M473-T586 HydrophobicContact SD-CG2 3.65Å; M473-V592 HydrophobicContact CE-CG1 3.82Å; M473-V592 HydrophobicContact SD-CG1 3.58Å; M473-V592 VanDerWaalsContact SD-CG1 3.58Å; M473-F595 HydrophobicContact CE-CE2 4.27Å; M473-F595 HydrophobicContact CE-CZ 4.21Å
474	V	85.6	Confident	83.9	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.7	177.6	-170.1	0	0	0	0	109.1	L472 R493 V494 L499 V584 L585	L472-V474 HydrophobicContact CD1-CG2 3.73Å; L472-V474 HydrophobicContact CG-CG2 4.32Å; V474-R493 WeakPolarHBondContact CA-O 3.35Å; V474-R493 WeakPolarHBondContact CG1-O 3.44Å; V474-V494 HydrophobicContact CG1-CG2 4.43Å; V474-V494 HydrophobicContact CG2-CB 4.46Å; V474-V494 HydrophobicContact CG2-CG1 4.28Å; V474-V494 HydrophobicContact CG2-CG2 4.12Å; V474-L499 HydrophobicContact CG2-CD2 4.46Å; V474-V584 CarbonylContact O-C 3.57Å; V474-V584 VanDerWaalsContact O-CA 3.28Å; V474-V584 WeakPolarHBondContact O-CA 3.32Å; V474-L585 HydrophobicContact CB-CB 4.09Å; V474-L585 HydrophobicContact CB-CD1 3.93Å; V474-L585 HydrophobicContact CG1-CD1 4Å; V474-L585 HydrophobicContact CG2-CB 4.35Å; V474-L585 PolarHBondContact N-O 2.91Å; V474-L585 PolarHBondContact O-N 3.45Å
475	Q	87.9	Confident	83.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.8	167.5	-169.5	172.9	18.3	0	0	109.3	T477 G492 R493 F495 F595	Q475-T477 HydrophobicContact CG-CG2 4.14Å; Q475-G492 CarbonylContact O-C 3.3Å; Q475-G492 WeakPolarHBondContact O-CA 3.4Å; Q475-R493 PolarHBondContact N-O 3.41Å; Q475-R493 PolarHBondContact O-N 2.98Å; Q475-F495 HydrophobicContact CB-CD2 4.09Å; Q475-F495 HydrophobicContact CB-CE2 3.76Å; Q475-F595 HydrophobicContact CB-CD2 3.59Å; Q475-F595 HydrophobicContact CB-CE2 3.74Å; Q475-F595 HydrophobicContact CB-CG 4.36Å; Q475-F595 HydrophobicContact CG-CB 4.31Å; Q475-F595 HydrophobicContact CG-CD2 3.72Å; Q475-F595 HydrophobicContact CG-CE2 4.39Å; Q475-F595 HydrophobicContact CG-CG 4.17Å
476	T	85.9	Confident	82.4	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146	164.6	53.9	0	0	0	0	109.8	A490 F491 C582 H583 L585	T476-A490 HydrophobicContact CG2-CB 4.09Å; T476-F491 WeakPolarHBondContact CA-O 3.42Å; T476-C582 CarbonylContact O-C 3.49Å; T476-C582 WeakPolarHBondContact O-CA 3.34Å; T476-C582 PolarHBondContact O-SG 2.98Å; T476-H583 PolarHBondContact N-O 2.66Å; T476-H583 WeakPolarHBondContact OG1-CB 3.42Å; T476-H583 PolarHBondContact OG1-N 3.5Å; T476-H583 PolarHBondContact OG1-O 3.18Å; T476-L585 HydrophobicContact CG2-CD1 3.67Å
477	T	85.5	Confident	81.9	Confident	6 Å²	6	34 Å²	34	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	-6.3	178	65.2	0	0	0	0	113.3	A213 R216 L217 Q475 F491 L598	A213-T477 PolarHBondContact O-OG1 3.38Å; R216-T477 HydrophobicContact CB-CG2 4.1Å; R216-T477 HydrophobicContact CG-CG2 3.93Å; L217-T477 HydrophobicContact CD1-CG2 4.39Å; L217-T477 WeakPolarHBondContact CD1-OG1 3.22Å; L217-T477 HydrophobicContact CD2-CG2 3.81Å; L217-T477 HydrophobicContact CG-CG2 3.87Å; L217-T477 WeakPolarHBondContact CG-OG1 3.32Å; Q475-T477 HydrophobicContact CG-CG2 4.14Å; T477-F491 PolarHBondContact N-O 3.46Å; T477-F491 VanDerWaalsContact N-O 3.14Å; T477-L598 HydrophobicContact CG2-CD2 4.27Å
478	K	83.2	Confident	81.6	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	134.6	-172.3	-174.8	54.9	169.9	-177.3	0	111	E210 Y480 F491 S631 P633	E210-K478 IonicContact OE1-NZ 3.16Å; E210-K478 PolarHBondContact OE1-NZ 3.3Å; E210-K478 WeakPolarHBondContact OE2-CE 3.24Å; E210-K478 IonicContact OE2-NZ 2.73Å; E210-K478 PolarHBondContact OE2-NZ 3.48Å; K478-Y480 HydrophobicContact CG-CE1 3.9Å; K478-Y480 HydrophobicContact CG-CE2 3.9Å; K478-F491 HydrophobicContact CB-CB 4.49Å; K478-F491 WeakPolarHBondContact O-CA 3.37Å; K478-F491 WeakPolarHBondContact O-CB 3.36Å; K478-F491 PolarHBondContact O-N 2.92Å; K478-S631 PolarHBondContact NZ-O 3.33Å; K478-P633 HydrophobicContact CD-CG 4.45Å
479	N	84.8	Confident	81.6	Confident	6 Å²	6	32 Å²	32	3%	0.032	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.7	168.9	-63.4	-58.2	0	0	0	110.2	F488 Y489 A490 D581 K630	N479-F488 HydrophobicContact CB-CB 4.16Å; N479-F488 HydrophobicContact CB-CD1 3.75Å; N479-F488 HydrophobicContact CB-CG 4.31Å; N479-Y489 WeakPolarHBondContact CA-O 3.4Å; N479-A490 WeakPolarHBondContact OD1-CA 3.42Å; N479-A490 VanDerWaalsContact OD1-CB 3.32Å; N479-A490 WeakPolarHBondContact OD1-CB 3.46Å; N479-D581 WeakPolarHBondContact ND2-CB 3.46Å; N479-D581 PolarHBondContact ND2-OD2 3.45Å; N479-K630 WeakPolarHBondContact CB-O 3.46Å
480	Y	82.6	Confident	81.5	Confident	21 Å²	21	26 Å²	26	8%	0.082	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.3	171.8	-64.9	-68.4	0	0	0	109.8	S179 M180 P181 K478 F488 Y489 F491 W529	S179-Y480 WeakPolarHBondContact O-CE1 3.23Å; S179-Y480 VanDerWaalsContact O-CZ 3.31Å; S179-Y480 PolarHBondContact O-OH 2.83Å; M180-Y480 HydrophobicContact SD-CD1 4.49Å; M180-Y480 HydrophobicContact SD-CE1 4.19Å; P181-Y480 WeakPolarHBondContact CD-OH 3.45Å; P181-Y480 HydrophobicContact CG-CE2 4.01Å; K478-Y480 HydrophobicContact CG-CE1 3.9Å; K478-Y480 HydrophobicContact CG-CE2 3.9Å; Y480-F488 WeakPolarHBondContact O-CA 3.26Å; Y480-Y489 PolarHBondContact N-O 2.84Å; Y480-Y489 PolarHBondContact O-N 3.19Å; Y480-F491 HydrophobicContact CD2-CB 3.75Å; Y480-F491 HydrophobicContact CD2-CD2 4.31Å; Y480-F491 HydrophobicContact CD2-CG 4.25Å; Y480-F491 HydrophobicContact CE2-CB 3.48Å; Y480-F491 VanDerWaalsContact CE2-CB 3.48Å; Y480-F491 HydrophobicContact CE2-CD1 4.37Å; Y480-F491 AromaticContact CE2-CD2 3.89Å; Y480-F491 HydrophobicContact CE2-CD2 3.89Å; Y480-F491 AromaticContact CE2-CG 3.66Å; Y480-F491 HydrophobicContact CE2-CG 3.66Å; Y480-W529 HydrophobicContact CD2-CH2 4.12Å; Y480-W529 HydrophobicContact CD2-CZ2 4.37Å
481	T	80.5	Confident	81.4	Confident	41 Å²	41	25.3 Å²	25.3	25%	0.252	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	139	172.3	-48.8	0	0	0	0	110.1	T485 F666	T481-T485 HydrophobicContact CG2-CG2 4.13Å; T481-F666 HydrophobicContact CG2-CE1 3.57Å; T481-F666 HydrophobicContact CG2-CZ 4.13Å; T481-F666 WeakPolarHBondContact OG1-CZ 3.3Å
482	T	75.9	Confident	81.3	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.018	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-73.5	157.5	171.4	60.3	0	0	0	0	111.2	D484 T485 S487 Y489	T482-D484 WeakPolarHBondContact CB-OD1 3.41Å; T482-D484 PolarHBondContact O-N 2.86Å; T482-D484 VanDerWaalsContact O-N 3.13Å; T482-D484 PolarHBondContact OG1-OD1 2.98Å; T482-T485 WeakPolarHBondContact O-CA 3.45Å; T482-T485 PolarHBondContact O-N 3.29Å; T482-S487 WeakPolarHBondContact CG2-OG 3.29Å; T482-S487 PolarHBondContact N-O 3.17Å; T482-S487 VanDerWaalsContact N-O 3.15Å; T482-S487 PolarHBondContact OG1-N 2.96Å; T482-S487 PolarHBondContact OG1-O 2.89Å; T482-S487 PolarHBondContact OG1-OG 3.45Å; T482-Y489 HydrophobicContact CG2-CD1 3.67Å; T482-Y489 HydrophobicContact CG2-CD2 3.95Å; T482-Y489 HydrophobicContact CG2-CE1 3.35Å; T482-Y489 HydrophobicContact CG2-CE2 3.65Å; T482-Y489 HydrophobicContact CG2-CG 3.97Å
483	P	72.7	Confident	81.2	Confident	126 Å²	126	24.1 Å²	24.1	82%	0.818	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	-178.4	-26.1	35.8	0	0	0	114.4	T485	P483-T485 VanDerWaalsContact C-N 3.35Å
484	D	72.4	Confident	81.1	Confident	98 Å²	98	24.1 Å²	24.1	52%	0.524	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.2	175.3	65.7	-49.1	0	0	0	113.9	T482 S486	T482-D484 WeakPolarHBondContact CB-OD1 3.41Å; T482-D484 PolarHBondContact O-N 2.86Å; T482-D484 VanDerWaalsContact O-N 3.13Å; T482-D484 PolarHBondContact OG1-OD1 2.98Å; D484-S486 PolarHBondContact O-N 3.21Å; D484-S486 VanDerWaalsContact OD2-CB 3.28Å; D484-S486 WeakPolarHBondContact OD2-CB 3.46Å; D484-S486 PolarHBondContact OD2-OG 3.1Å
485	T	74.3	Confident	81.1	Confident	45 Å²	45	24 Å²	24	28%	0.276	14%	0.142	S	C	.	.	S	Bend	trans	54.2	-2.5	178.6	79.2	0	0	0	0	117.8	T481 T482 P483 S487 V665	T481-T485 HydrophobicContact CG2-CG2 4.13Å; T482-T485 WeakPolarHBondContact O-CA 3.45Å; T482-T485 PolarHBondContact O-N 3.29Å; P483-T485 VanDerWaalsContact C-N 3.35Å; T485-S487 VanDerWaalsContact C-N 3.33Å; T485-S487 PolarHBondContact O-N 2.73Å; T485-V665 WeakPolarHBondContact CB-O 3.31Å; T485-V665 HydrophobicContact CG2-CG1 3.66Å; T485-V665 WeakPolarHBondContact CG2-O 3.31Å; T485-V665 PolarHBondContact OG1-O 3.16Å; T485-V665 VanDerWaalsContact OG1-O 3.1Å
486	S	73.1	Confident	81.1	Confident	73 Å²	73	24 Å²	24	51%	0.51	14%	0.142	S	C	.	.	S	Bend	trans	-69.2	-29.1	-175.9	77	0	0	0	0	113.6	D484	D484-S486 PolarHBondContact O-N 3.21Å; D484-S486 VanDerWaalsContact OD2-CB 3.28Å; D484-S486 WeakPolarHBondContact OD2-CB 3.46Å; D484-S486 PolarHBondContact OD2-OG 3.1Å
487	S	75.3	Confident	81.1	Confident	19 Å²	19	24 Å²	24	13%	0.133	14%	0.142	C	C	.	.	S	Bend	trans	-142.5	177.5	-170.2	65.9	0	0	0	0	112.1	T482 T485	T482-S487 WeakPolarHBondContact CG2-OG 3.29Å; T482-S487 PolarHBondContact N-O 3.17Å; T482-S487 VanDerWaalsContact N-O 3.15Å; T482-S487 PolarHBondContact OG1-N 2.96Å; T482-S487 PolarHBondContact OG1-O 2.89Å; T482-S487 PolarHBondContact OG1-OG 3.45Å; T485-S487 VanDerWaalsContact C-N 3.33Å; T485-S487 PolarHBondContact O-N 2.73Å
488	F	81.2	Confident	81	Confident	18 Å²	18	24.7 Å²	24.7	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.9	-178.3	-74.5	-94.1	0	0	0	110.4	N479 Y480 K627 K630 F666	N479-F488 HydrophobicContact CB-CB 4.16Å; N479-F488 HydrophobicContact CB-CD1 3.75Å; N479-F488 HydrophobicContact CB-CG 4.31Å; Y480-F488 WeakPolarHBondContact O-CA 3.26Å; F488-K627 HydrophobicContact CE2-CB 3.96Å; F488-K627 HydrophobicContact CE2-CD 4.33Å; F488-K627 HydrophobicContact CE2-CG 3.79Å; F488-K627 HydrophobicContact CZ-CB 3.83Å; F488-K627 HydrophobicContact CZ-CG 4.19Å; F488-K627 WeakPolarHBondContact CZ-O 3.4Å; F488-K630 HydrophobicContact CD1-CB 4.42Å; F488-K630 HydrophobicContact CD2-CD 4.25Å; F488-K630 HydrophobicContact CE1-CB 4.26Å; F488-K630 HydrophobicContact CE2-CD 4.33Å; F488-K630 HydrophobicContact CZ-CB 4.44Å; F488-F666 HydrophobicContact CE1-CE1 4.22Å; F488-F666 HydrophobicContact CE1-CZ 4.1Å; F488-F666 HydrophobicContact CE2-CE1 4.25Å; F488-F666 HydrophobicContact CZ-CD1 4.43Å; F488-F666 AromaticContact CZ-CE1 3.5Å; F488-F666 HydrophobicContact CZ-CE1 3.5Å; F488-F666 AromaticContact CZ-CZ 3.68Å; F488-F666 HydrophobicContact CZ-CZ 3.68Å
489	Y	80.5	Confident	80.9	Confident	32 Å²	32	24.5 Å²	24.5	13%	0.125	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116.1	167.5	-59.1	-37.8	0	0	0	110	N479 Y480 T482 F491 W529 V550 D551	N479-Y489 WeakPolarHBondContact CA-O 3.4Å; Y480-Y489 PolarHBondContact N-O 2.84Å; Y480-Y489 PolarHBondContact O-N 3.19Å; T482-Y489 HydrophobicContact CG2-CD1 3.67Å; T482-Y489 HydrophobicContact CG2-CD2 3.95Å; T482-Y489 HydrophobicContact CG2-CE1 3.35Å; T482-Y489 HydrophobicContact CG2-CE2 3.65Å; T482-Y489 HydrophobicContact CG2-CG 3.97Å; Y489-F491 PolarHBondContact O-N 3.36Å; Y489-W529 AromaticContact CD1-NE1 3.97Å; Y489-W529 AromaticContact CD2-CE2 3.72Å; Y489-W529 AromaticContact CD2-CH2 3.93Å; Y489-W529 HydrophobicContact CD2-CH2 3.93Å; Y489-W529 AromaticContact CD2-CZ2 3.48Å; Y489-W529 HydrophobicContact CD2-CZ2 3.48Å; Y489-W529 VanDerWaalsContact CD2-CZ2 3.48Å; Y489-W529 AromaticContact CG-CE2 3.71Å; Y489-W529 AromaticContact CG-CZ2 3.64Å; Y489-W529 HydrophobicContact CG-CZ2 3.64Å; Y489-W529 AromaticContact CG-NE1 3.57Å; Y489-V550 WeakPolarHBondContact CA-O 3.4Å; Y489-D551 HydrophobicContact CD1-CB 4.09Å; Y489-D551 HydrophobicContact CE1-CB 4.07Å
490	A	82.6	Confident	80.7	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.7	178.3	0	0	0	0	0	110.5	T476 N479 G549 V550	T476-A490 HydrophobicContact CG2-CB 4.09Å; N479-A490 WeakPolarHBondContact OD1-CA 3.42Å; N479-A490 VanDerWaalsContact OD1-CB 3.32Å; N479-A490 WeakPolarHBondContact OD1-CB 3.46Å; A490-G549 CarbonylContact O-C 3.53Å; A490-G549 VanDerWaalsContact O-CA 3.29Å; A490-G549 WeakPolarHBondContact O-CA 3.39Å; A490-V550 PolarHBondContact N-O 3Å; A490-V550 PolarHBondContact O-N 2.93Å
491	F	83.5	Confident	80.4	Confident	3 Å²	3	28.8 Å²	28.8	1%	0.013	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	-177.8	-168.4	-84	0	0	0	112	P181 F199 L217 T476 T477 K478 Y480 Y489 C531 K547	P181-F491 HydrophobicContact CB-CE1 4.23Å; P181-F491 HydrophobicContact CB-CE2 3.93Å; P181-F491 HydrophobicContact CB-CZ 3.58Å; P181-F491 HydrophobicContact CG-CD2 3.99Å; P181-F491 HydrophobicContact CG-CE1 4.21Å; P181-F491 HydrophobicContact CG-CE2 3.49Å; P181-F491 VanDerWaalsContact CG-CE2 3.49Å; P181-F491 HydrophobicContact CG-CZ 3.61Å; F199-F491 HydrophobicContact CE1-CD1 4.35Å; F199-F491 AromaticContact CE1-CE1 3.96Å; F199-F491 HydrophobicContact CE1-CE1 3.96Å; F199-F491 HydrophobicContact CE2-CE1 4.33Å; F199-F491 HydrophobicContact CZ-CD1 4.02Å; F199-F491 AromaticContact CZ-CE1 3.44Å; F199-F491 HydrophobicContact CZ-CE1 3.44Å; F199-F491 VanDerWaalsContact CZ-CE1 3.44Å; F199-F491 HydrophobicContact CZ-CZ 4.28Å; L217-F491 HydrophobicContact CD1-CD1 3.83Å; L217-F491 HydrophobicContact CD1-CE1 4Å; T476-F491 WeakPolarHBondContact CA-O 3.42Å; T477-F491 PolarHBondContact N-O 3.46Å; T477-F491 VanDerWaalsContact N-O 3.14Å; K478-F491 HydrophobicContact CB-CB 4.49Å; K478-F491 WeakPolarHBondContact O-CA 3.37Å; K478-F491 WeakPolarHBondContact O-CB 3.36Å; K478-F491 PolarHBondContact O-N 2.92Å; Y480-F491 HydrophobicContact CD2-CB 3.75Å; Y480-F491 HydrophobicContact CD2-CD2 4.31Å; Y480-F491 HydrophobicContact CD2-CG 4.25Å; Y480-F491 HydrophobicContact CE2-CB 3.48Å; Y480-F491 VanDerWaalsContact CE2-CB 3.48Å; Y480-F491 HydrophobicContact CE2-CD1 4.37Å; Y480-F491 AromaticContact CE2-CD2 3.89Å; Y480-F491 HydrophobicContact CE2-CD2 3.89Å; Y480-F491 AromaticContact CE2-CG 3.66Å; Y480-F491 HydrophobicContact CE2-CG 3.66Å; Y489-F491 PolarHBondContact O-N 3.36Å; F491-C531 HydrophobicContact CE2-CB 4.21Å; F491-K547 HydrophobicContact CE1-CB 4.19Å; F491-K547 HydrophobicContact CE1-CD 4.06Å; F491-K547 HydrophobicContact CZ-CB 3.79Å; F491-K547 HydrophobicContact CZ-CD 4.07Å; F491-K547 HydrophobicContact CZ-CG 4.49Å
492	G	85.5	Confident	80.4	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-172.3	-175.8	0	0	0	0	0	114.7	Q475 K547 L548	Q475-G492 CarbonylContact O-C 3.3Å; Q475-G492 WeakPolarHBondContact O-CA 3.4Å; G492-K547 WeakPolarHBondContact O-CA 3.46Å; G492-L548 PolarHBondContact N-O 2.89Å; G492-L548 PolarHBondContact O-N 2.98Å
493	R	84.6	Confident	80.6	Confident	1 Å²	1	35 Å²	35	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.9	174.5	173.8	174.4	168.9	177.1	-4.6	109.5	N127 L217 D219 V474 Q475 F495	N127-R493 PolarHBondContact ND2-NH1 3.48Å; L217-R493 HydrophobicContact CD2-CB 3.8Å; L217-R493 WeakPolarHBondContact O-CD 3.18Å; L217-R493 PolarHBondContact O-NH1 2.91Å; L217-R493 VanDerWaalsContact O-NH1 3.14Å; D219-R493 IonicContact OD1-CZ 3.24Å; D219-R493 IonicContact OD1-NH1 2.72Å; D219-R493 PolarHBondContact OD1-NH1 3.43Å; D219-R493 IonicContact OD1-NH2 2.88Å; D219-R493 PolarHBondContact OD1-NH2 2.68Å; D219-R493 IonicContact OD2-CZ 2.75Å; D219-R493 IonicContact OD2-NH1 2.74Å; D219-R493 PolarHBondContact OD2-NH1 2.95Å; D219-R493 IonicContact OD2-NH2 3.82Å; D219-R493 PolarHBondContact OD2-NH2 3Å; V474-R493 WeakPolarHBondContact CA-O 3.35Å; V474-R493 WeakPolarHBondContact CG1-O 3.44Å; Q475-R493 PolarHBondContact N-O 3.41Å; Q475-R493 PolarHBondContact O-N 2.98Å; R493-F495 HydrophobicContact CB-CE2 4.35Å; R493-F495 HydrophobicContact CG-CD2 4.46Å; R493-F495 HydrophobicContact CG-CE1 4.5Å; R493-F495 HydrophobicContact CG-CE2 4.33Å; R493-F495 HydrophobicContact CG-CZ 4.35Å
494	V	85.2	Confident	81.3	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.5	168.4	-170.2	0	0	0	0	107.1	L472 V474 S496 G497 L499 A544 G545 G546	L472-V494 HydrophobicContact CD1-CG1 4.31Å; V474-V494 HydrophobicContact CG1-CG2 4.43Å; V474-V494 HydrophobicContact CG2-CB 4.46Å; V474-V494 HydrophobicContact CG2-CG1 4.28Å; V474-V494 HydrophobicContact CG2-CG2 4.12Å; V494-S496 WeakPolarHBondContact CG1-O 3.44Å; V494-G497 WeakPolarHBondContact CG1-O 3.42Å; V494-L499 HydrophobicContact CG2-CB 4.42Å; V494-A544 HydrophobicContact CG1-CB 4.44Å; V494-G545 PolarHBondContact O-N 2.89Å; V494-G546 PolarHBondContact N-O 3.14Å; V494-G546 VanDerWaalsContact N-O 3.09Å
495	F	86.2	Confident	81.8	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-37.7	177.7	-81	-76.2	0	0	0	112.1	K446 M447 L463 C466 M473 Q475 R493 F595	K446-F495 HydrophobicContact CG-CE1 4.37Å; M447-F495 HydrophobicContact CE-CD1 3.52Å; M447-F495 HydrophobicContact CE-CD2 4.37Å; M447-F495 HydrophobicContact CE-CE1 3.39Å; M447-F495 HydrophobicContact CE-CE2 4.24Å; M447-F495 HydrophobicContact CE-CG 4.03Å; M447-F495 HydrophobicContact CE-CZ 3.77Å; M447-F495 HydrophobicContact SD-CD1 4.34Å; L463-F495 HydrophobicContact CD2-CB 3.55Å; C466-F495 WeakPolarHBondContact CA-O 3.23Å; C466-F495 PolarHBondContact SG-O 2.93Å; M473-F495 PolarHBondContact O-N 3.31Å; Q475-F495 HydrophobicContact CB-CD2 4.09Å; Q475-F495 HydrophobicContact CB-CE2 3.76Å; R493-F495 HydrophobicContact CB-CE2 4.35Å; R493-F495 HydrophobicContact CG-CD2 4.46Å; R493-F495 HydrophobicContact CG-CE1 4.5Å; R493-F495 HydrophobicContact CG-CE2 4.33Å; R493-F495 HydrophobicContact CG-CZ 4.35Å; F495-F595 HydrophobicContact CD2-CE1 4.5Å; F495-F595 HydrophobicContact CD2-CE2 4.33Å; F495-F595 AromaticContact CD2-CZ 3.92Å; F495-F595 HydrophobicContact CD2-CZ 3.92Å; F495-F595 HydrophobicContact CG-CZ 4.46Å
496	S	87.7	Confident	82.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159.1	170.7	-172.7	0	0	0	0	110.5	A462 D467 P471 L472 M473 V494	A462-S496 WeakPolarHBondContact CB-OG 3.43Å; D467-S496 CarbonylContact O-C 3.57Å; D467-S496 WeakPolarHBondContact O-CA 3.26Å; D467-S496 PolarHBondContact O-OG 2.83Å; P471-S496 CarbonylContact O-C 3.26Å; P471-S496 WeakPolarHBondContact O-CB 3.27Å; P471-S496 PolarHBondContact O-OG 2.72Å; L472-S496 WeakPolarHBondContact CA-O 3.37Å; M473-S496 PolarHBondContact N-O 3.17Å; M473-S496 PolarHBondContact O-N 2.88Å; V494-S496 WeakPolarHBondContact CG1-O 3.44Å
497	G	86.6	Confident	83	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	13%	0.127	C	C	.	.	S	Bend	trans	74.1	-172.2	-175.5	0	0	0	0	0	114.3	D467 P468 G470 V494 A544	D467-G497 PolarHBondContact O-N 3.44Å; P468-G497 CarbonylContact O-C 2.83Å; P468-G497 VanDerWaalsContact O-CA 3.22Å; P468-G497 WeakPolarHBondContact O-CA 3.29Å; G470-G497 WeakPolarHBondContact O-CA 3.26Å; V494-G497 WeakPolarHBondContact CG1-O 3.42Å; G497-A544 PolarHBondContact O-N 3.3Å
498	T	82.5	Confident	83.6	Confident	19 Å²	19	24 Å²	24	12%	0.117	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125	175.9	-59.7	0	0	0	0	108.9	P468 H500 K541 S542 R543	P468-T498 PolarHBondContact O-N 3.19Å; P468-T498 VanDerWaalsContact O-N 3.16Å; P468-T498 PolarHBondContact O-OG1 3.05Å; T498-H500 WeakPolarHBondContact CG2-NE2 3.48Å; T498-H500 PolarHBondContact O-CD2 3.4Å; T498-K541 HydrophobicContact CG2-CB 4.09Å; T498-S542 CarbonylContact C-O 3.59Å; T498-S542 WeakPolarHBondContact CA-O 3.46Å; T498-S542 WeakPolarHBondContact CG2-O 3.3Å; T498-R543 HydrophobicContact CG2-CG 3.95Å
499	L	80.8	Confident	83.7	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.1	174.2	-172.3	68.2	0	0	0	109.1	L472 V474 V494 V505 V525 L528 K541 S542 L548 V550	L472-L499 HydrophobicContact CD1-CB 4.05Å; L472-L499 HydrophobicContact CD1-CD1 4.27Å; L472-L499 HydrophobicContact CD2-CD1 3.76Å; V474-L499 HydrophobicContact CG2-CD2 4.46Å; V494-L499 HydrophobicContact CG2-CB 4.42Å; L499-V505 HydrophobicContact CD1-CG1 4Å; L499-V525 HydrophobicContact CD1-CG2 4Å; L499-L528 HydrophobicContact CD2-CD2 3.64Å; L499-L528 HydrophobicContact CG-CD2 3.87Å; L499-L528 VanDerWaalsContact O-CD1 3.23Å; L499-L528 WeakPolarHBondContact O-CD1 3.4Å; L499-K541 CarbonylContact O-C 3.59Å; L499-K541 VanDerWaalsContact O-CA 3.27Å; L499-K541 WeakPolarHBondContact O-CA 3.26Å; L499-S542 PolarHBondContact N-O 3.2Å; L499-S542 PolarHBondContact O-N 3.43Å; L499-L548 HydrophobicContact CD2-CD2 4.12Å; L499-V550 HydrophobicContact CD2-CG2 3.81Å
500	H	80.2	Confident	83.8	Confident	85 Å²	85	24 Å²	24	39%	0.394	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.4	178.3	-67.6	-94.2	0	0	0	111.8	T498 Q503 V525 S540	T498-H500 WeakPolarHBondContact CG2-NE2 3.48Å; T498-H500 PolarHBondContact O-CD2 3.4Å; H500-Q503 HydrophobicContact CB-CB 4.11Å; H500-Q503 VanDerWaalsContact O-CB 3.26Å; H500-Q503 WeakPolarHBondContact O-CB 3.47Å; H500-Q503 PolarHBondContact O-N 3.31Å; H500-V525 WeakPolarHBondContact O-CG1 3.49Å; H500-S540 WeakPolarHBondContact CA-O 3.45Å
501	A	77.7	Confident	83.8	Confident	32 Å²	32	29.6 Å²	29.6	26%	0.264	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	143.4	168.2	0	0	0	0	0	109.8	Q503 L528 S540	A501-Q503 PolarHBondContact O-N 2.85Å; A501-L528 HydrophobicContact CB-CG 4.18Å; A501-S540 PolarHBondContact N-O 2.95Å
502	Q	80.2	Confident	83.9	Confident	139 Å²	139	30 Å²	30	65%	0.65	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	17.4	-175	-52	-65.8	-71.5	0	0	115.1	V525 G526	Q502-V525 WeakPolarHBondContact CA-O 3.01Å; Q502-V525 PolarHBondContact N-O 2.81Å; Q502-V525 PolarHBondContact NE2-O 2.92Å; Q502-G526 PolarHBondContact NE2-O 3.42Å
503	Q	80.7	Confident	83.9	Confident	34 Å²	34	33.1 Å²	33.1	16%	0.159	17%	0.174	C	C	.	.			trans	-84.3	139	172	-174.1	177	5.3	0	0	111.1	H500 A501 V505 V525 M587	H500-Q503 HydrophobicContact CB-CB 4.11Å; H500-Q503 VanDerWaalsContact O-CB 3.26Å; H500-Q503 WeakPolarHBondContact O-CB 3.47Å; H500-Q503 PolarHBondContact O-N 3.31Å; A501-Q503 PolarHBondContact O-N 2.85Å; Q503-V505 HydrophobicContact CG-CG1 4.37Å; Q503-V525 WeakPolarHBondContact O-CB 3.46Å; Q503-V525 WeakPolarHBondContact O-CG2 3.37Å; Q503-V525 PolarHBondContact O-N 2.84Å; Q503-M587 PolarHBondContact NE2-SD 2.85Å
504	D	85.7	Confident	83.8	Confident	87 Å²	87	36.3 Å²	36.3	47%	0.465	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.5	169.5	-69.2	-31.9	0	0	0	111.1	V522 T524	D504-V522 HydrophobicContact CB-CG1 4.43Å; D504-T524 WeakPolarHBondContact OD1-CA 3.36Å; D504-T524 VanDerWaalsContact OD1-CB 3.26Å; D504-T524 WeakPolarHBondContact OD1-CB 3.48Å; D504-T524 WeakPolarHBondContact OD1-CG2 3.46Å; D504-T524 PolarHBondContact OD1-OG1 3.01Å
505	V	84.7	Confident	83.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.4	-176.2	-68.4	0	0	0	0	110.7	L472 L499 Q503 V522 M523 V525 L585 T586	L472-V505 HydrophobicContact CD2-CG1 3.81Å; L499-V505 HydrophobicContact CD1-CG1 4Å; Q503-V505 HydrophobicContact CG-CG1 4.37Å; V505-V522 WeakPolarHBondContact O-CA 3.39Å; V505-M523 VanDerWaalsContact CG2-O 3.29Å; V505-M523 WeakPolarHBondContact CG2-O 3.5Å; V505-M523 PolarHBondContact N-O 3.28Å; V505-M523 PolarHBondContact O-N 2.91Å; V505-V525 HydrophobicContact CG1-CG2 4.09Å; V505-V525 HydrophobicContact CG2-CG2 3.76Å; V505-L585 HydrophobicContact CB-CB 4.43Å; V505-L585 HydrophobicContact CB-CD2 4.37Å; V505-L585 HydrophobicContact CG2-CD2 3.61Å; V505-T586 CarbonylContact C-O 3.45Å; V505-T586 WeakPolarHBondContact CA-O 3.44Å
506	K	86.2	Confident	83.6	Confident	28 Å²	28	48.6 Å²	48.6	12%	0.122	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.3	168.8	-165	175.2	-178.8	177.3	0	108.1	L508 E517 S520 V522 L585 T586 L588	K506-L508 HydrophobicContact CD-CD2 4.04Å; K506-L508 HydrophobicContact CG-CD2 3.96Å; K506-E517 IonicContact NZ-OE2 3.04Å; K506-E517 PolarHBondContact NZ-OE2 2.84Å; K506-S520 VanDerWaalsContact CE-CB 3.46Å; K506-S520 WeakPolarHBondContact CE-OG 3Å; K506-V522 HydrophobicContact CG-CG2 4.49Å; K506-L585 WeakPolarHBondContact O-CA 3.29Å; K506-T586 PolarHBondContact N-O 2.74Å; K506-T586 PolarHBondContact O-N 2.89Å; K506-L588 HydrophobicContact CB-CD2 4.31Å
507	I	86.1	Confident	83.4	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.062	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.1	174.5	-54.2	-171.8	0	0	0	107	S520 R521 M523 H583 V584 L585	I507-S520 CarbonylContact O-C 3.54Å; I507-S520 VanDerWaalsContact O-CA 3.24Å; I507-S520 WeakPolarHBondContact O-CA 3.38Å; I507-R521 PolarHBondContact N-O 2.95Å; I507-R521 PolarHBondContact O-N 3.05Å; I507-M523 HydrophobicContact CD1-CB 4.01Å; I507-M523 HydrophobicContact CD1-CG 3.97Å; I507-M523 HydrophobicContact CD1-SD 3.62Å; I507-H583 HydrophobicContact CG2-CB 3.68Å; I507-V584 CarbonylContact C-O 3.08Å; I507-V584 WeakPolarHBondContact CA-O 3.42Å; I507-L585 HydrophobicContact CD1-CD2 4.18Å; I507-L585 HydrophobicContact CG1-CD2 3.94Å; I507-L585 HydrophobicContact CG1-CG 4.43Å
508	L	87.1	Confident	83.4	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.2	174.1	-46.4	-179.6	0	0	0	108.8	K506 Y512 H583 V584 T586 V592 I594	K506-L508 HydrophobicContact CD-CD2 4.04Å; K506-L508 HydrophobicContact CG-CD2 3.96Å; L508-Y512 HydrophobicContact CB-CD1 4.33Å; L508-Y512 HydrophobicContact CB-CG 4.18Å; L508-Y512 HydrophobicContact CD1-CD1 4.03Å; L508-Y512 HydrophobicContact CD1-CE1 4Å; L508-Y512 HydrophobicContact CD2-CD1 4.25Å; L508-Y512 HydrophobicContact CD2-CD2 3.98Å; L508-Y512 HydrophobicContact CD2-CE1 4.16Å; L508-Y512 HydrophobicContact CD2-CE2 3.89Å; L508-Y512 HydrophobicContact CD2-CG 4.15Å; L508-Y512 HydrophobicContact CG-CD1 4.43Å; L508-H583 VanDerWaalsContact O-CA 3.28Å; L508-H583 WeakPolarHBondContact O-CA 3.46Å; L508-H583 PolarHBondContact O-ND1 2.91Å; L508-V584 HydrophobicContact CB-CB 4.21Å; L508-V584 HydrophobicContact CD1-CB 4.25Å; L508-V584 HydrophobicContact CG-CB 4.37Å; L508-V584 PolarHBondContact N-O 3.27Å; L508-V584 PolarHBondContact O-N 3.38Å; L508-T586 HydrophobicContact CD1-CG2 4.27Å; L508-V592 HydrophobicContact CD1-CB 4.48Å; L508-V592 HydrophobicContact CD1-CG1 4.47Å; L508-I594 HydrophobicContact CB-CG2 3.86Å; L508-I594 HydrophobicContact CD1-CG2 4.12Å
509	G	83.9	Confident	83.5	Confident	4 Å²	4	61 Å²	61	4%	0.041	31%	0.307	C	S	.	.			trans	-88.1	-175.9	170	0	0	0	0	0	112.9	Y512 D519	G509-Y512 WeakPolarHBondContact O-CB 3.42Å; G509-Y512 PolarHBondContact O-N 3.24Å; G509-D519 VanDerWaalsContact C-OD2 3.22Å; G509-D519 VanDerWaalsContact CA-OD2 3.29Å; G509-D519 WeakPolarHBondContact CA-OD2 3.3Å; G509-D519 PolarHBondContact N-O 3.23Å
510	E	81.9	Confident	83.7	Confident	47 Å²	47	62.1 Å²	62.1	22%	0.22	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-22.9	-173.7	-59.7	-160.9	170.9	0	0	114	Y512 D519 C582 I594 P597	E510-Y512 VanDerWaalsContact C-N 3.34Å; E510-D519 PolarHBondContact N-OD2 3.47Å; E510-C582 HydrophobicContact CG-CB 4.34Å; E510-C582 WeakPolarHBondContact OE1-CB 3.31Å; E510-C582 PolarHBondContact OE1-N 3.48Å; E510-I594 WeakPolarHBondContact O-CD1 3.24Å; E510-P597 HydrophobicContact CB-CG 4.42Å; E510-P597 HydrophobicContact CG-CG 4.49Å; E510-P597 WeakPolarHBondContact OE2-CB 3.44Å; E510-P597 WeakPolarHBondContact OE2-CG 3.43Å
511	N	83	Confident	83.7	Confident	120 Å²	120	63.2 Å²	63.2	64%	0.642	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.9	177	-58.4	-71.7	0	0	0	112.4	T513 D519	N511-T513 PolarHBondContact O-N 3.33Å; N511-D519 HydrophobicContact CB-CB 4.21Å; N511-D519 WeakPolarHBondContact CB-OD2 3.13Å; N511-D519 PolarHBondContact N-OD2 2.93Å
512	Y	85.6	Confident	84.1	Confident	11 Å²	11	65.7 Å²	65.7	4%	0.043	33%	0.327	C	S	.	.			trans	-60.1	130.5	-179.2	177.3	-89.8	0	0	0	111.7	L508 G509 E510 E517 V592 I594	L508-Y512 HydrophobicContact CB-CD1 4.33Å; L508-Y512 HydrophobicContact CB-CG 4.18Å; L508-Y512 HydrophobicContact CD1-CD1 4.03Å; L508-Y512 HydrophobicContact CD1-CE1 4Å; L508-Y512 HydrophobicContact CD2-CD1 4.25Å; L508-Y512 HydrophobicContact CD2-CD2 3.98Å; L508-Y512 HydrophobicContact CD2-CE1 4.16Å; L508-Y512 HydrophobicContact CD2-CE2 3.89Å; L508-Y512 HydrophobicContact CD2-CG 4.15Å; L508-Y512 HydrophobicContact CG-CD1 4.43Å; G509-Y512 WeakPolarHBondContact O-CB 3.42Å; G509-Y512 PolarHBondContact O-N 3.24Å; E510-Y512 VanDerWaalsContact C-N 3.34Å; Y512-E517 HydrophobicContact CE2-CB 4.01Å; Y512-E517 HydrophobicContact CE2-CG 3.82Å; Y512-V592 WeakPolarHBondContact CE1-O 3.38Å; Y512-I594 HydrophobicContact CD1-CG2 3.9Å; Y512-I594 HydrophobicContact CG-CG2 4.43Å
513	T	84.6	Confident	84.2	Confident	67 Å²	67	62.7 Å²	62.7	41%	0.411	31%	0.314	S	S	.	.			trans	-134.2	168.6	170.3	73.6	0	0	0	0	110.6	N511 Q515 D516	N511-T513 PolarHBondContact O-N 3.33Å; T513-Q515 PolarHBondContact O-N 2.86Å; T513-Q515 VanDerWaalsContact O-N 3.12Å; T513-Q515 PolarHBondContact OG1-N 3.33Å; T513-D516 PolarHBondContact N-O 2.75Å; T513-D516 CarbonylContact O-C 3.54Å; T513-D516 PolarHBondContact O-N 3.34Å; T513-D516 PolarHBondContact OG1-N 2.61Å; T513-D516 VanDerWaalsContact OG1-N 3.08Å
514	L	84.1	Confident	84.3	Confident	68 Å²	68	64.8 Å²	64.8	36%	0.356	33%	0.329	S	S	.	.	S	Bend	trans	-66.5	-8.7	172.5	-66.6	-171.2	0	0	0	114.2	Q591 V592 Y593	L514-Q591 HydrophobicContact CD2-CB 4.39Å; L514-V592 WeakPolarHBondContact CD2-O 3.29Å; L514-Y593 HydrophobicContact CD1-CE1 3.91Å; L514-Y593 HydrophobicContact CD1-CE2 3.75Å; L514-Y593 VanDerWaalsContact CD1-OH 3.29Å; L514-Y593 WeakPolarHBondContact CD1-OH 3.37Å; L514-Y593 HydrophobicContact CG-CE1 4.24Å; L514-Y593 HydrophobicContact CG-CE2 4.47Å
515	Q	83.4	Confident	83.9	Confident	193 Å²	193	60.8 Å²	60.8	90%	0.902	31%	0.308	S	S	*	.	S	Bend	trans	-103	-20	176.7	-64.2	179.5	-6.1	0	0	112.2	T513	T513-Q515 PolarHBondContact O-N 2.86Å; T513-Q515 VanDerWaalsContact O-N 3.12Å; T513-Q515 PolarHBondContact OG1-N 3.33Å
516	D	83.8	Confident	83.5	Confident	68 Å²	68	61.2 Å²	61.2	36%	0.364	31%	0.313	S	S	.	.			trans	-134.6	101.4	-176.3	-175	-6.2	0	0	0	109.4	T513 E518	T513-D516 PolarHBondContact N-O 2.75Å; T513-D516 CarbonylContact O-C 3.54Å; T513-D516 PolarHBondContact O-N 3.34Å; T513-D516 PolarHBondContact OG1-N 2.61Å; T513-D516 VanDerWaalsContact OG1-N 3.08Å; D516-E518 WeakPolarHBondContact OD1-CB 3.28Å; D516-E518 WeakPolarHBondContact OD1-CG 3.33Å; D516-E518 PolarHBondContact OD1-N 3.24Å
517	E	83.7	Confident	82.8	Confident	89 Å²	89	64.9 Å²	64.9	42%	0.416	33%	0.326	S	S	.	.			trans	-92	3.4	178.3	-62.3	-154.4	-162.7	0	0	113.7	K506 Y512 D519 S520	K506-E517 IonicContact NZ-OE2 3.04Å; K506-E517 PolarHBondContact NZ-OE2 2.84Å; Y512-E517 HydrophobicContact CE2-CB 4.01Å; Y512-E517 HydrophobicContact CE2-CG 3.82Å; E517-D519 VanDerWaalsContact C-N 3.26Å; E517-D519 PolarHBondContact O-N 3.05Å; E517-S520 WeakPolarHBondContact O-CB 3.33Å; E517-S520 PolarHBondContact O-N 3.15Å; E517-S520 VanDerWaalsContact O-N 3.12Å; E517-S520 PolarHBondContact O-OG 3.05Å
518	E	85.8	Confident	82.1	Confident	168 Å²	168	64.3 Å²	64.3	79%	0.785	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35	-176.1	-68	-167.6	178.8	0	0	112.5	D516 S520	D516-E518 WeakPolarHBondContact OD1-CB 3.28Å; D516-E518 WeakPolarHBondContact OD1-CG 3.33Å; D516-E518 PolarHBondContact OD1-N 3.24Å; E518-S520 PolarHBondContact O-N 3.32Å
519	D	84	Confident	81.3	Confident	25 Å²	25	64.6 Å²	64.6	13%	0.134	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	42	173.9	-160.8	12.4	0	0	0	112.4	G509 E510 N511 E517 F576	G509-D519 VanDerWaalsContact C-OD2 3.22Å; G509-D519 VanDerWaalsContact CA-OD2 3.29Å; G509-D519 WeakPolarHBondContact CA-OD2 3.3Å; G509-D519 PolarHBondContact N-O 3.23Å; E510-D519 PolarHBondContact N-OD2 3.47Å; N511-D519 HydrophobicContact CB-CB 4.21Å; N511-D519 WeakPolarHBondContact CB-OD2 3.13Å; N511-D519 PolarHBondContact N-OD2 2.93Å; E517-D519 VanDerWaalsContact C-N 3.26Å; E517-D519 PolarHBondContact O-N 3.05Å; D519-F576 WeakPolarHBondContact OD1-CZ 3.31Å
520	S	84.3	Confident	80.8	Confident	24 Å²	24	64.5 Å²	64.5	17%	0.168	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.2	171.3	74.9	0	0	0	0	113.6	K506 I507 E517 E518	K506-S520 VanDerWaalsContact CE-CB 3.46Å; K506-S520 WeakPolarHBondContact CE-OG 3Å; I507-S520 CarbonylContact O-C 3.54Å; I507-S520 VanDerWaalsContact O-CA 3.24Å; I507-S520 WeakPolarHBondContact O-CA 3.38Å; E517-S520 WeakPolarHBondContact O-CB 3.33Å; E517-S520 PolarHBondContact O-N 3.15Å; E517-S520 VanDerWaalsContact O-N 3.12Å; E517-S520 PolarHBondContact O-OG 3.05Å; E518-S520 PolarHBondContact O-N 3.32Å
521	R	82.2	Confident	80.2	Confident	108 Å²	108	62.3 Å²	62.3	41%	0.408	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	138.9	-179.3	-66.7	-172.1	175.5	-134.6	-9.4	111.9	I507 F576	I507-R521 PolarHBondContact N-O 2.95Å; I507-R521 PolarHBondContact O-N 3.05Å; R521-F576 VanDerWaalsContact NE-CE2 3.35Å
522	V	84.8	Confident	79.6	Confident	84 Å²	84	56.7 Å²	56.7	51%	0.509	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.4	169.6	-173.9	0	0	0	0	109.2	D504 V505 K506 L588	D504-V522 HydrophobicContact CB-CG1 4.43Å; V505-V522 WeakPolarHBondContact O-CA 3.39Å; K506-V522 HydrophobicContact CG-CG2 4.49Å; V522-L588 HydrophobicContact CG1-CD2 4.22Å; V522-L588 HydrophobicContact CG2-CD2 3.65Å
523	M	81.8	Confident	78.5	Confident	75 Å²	75	56.5 Å²	56.5	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.3	176.7	-67.6	-169.3	66.8	0	0	110.9	V505 I507 R552	V505-M523 VanDerWaalsContact CG2-O 3.29Å; V505-M523 WeakPolarHBondContact CG2-O 3.5Å; V505-M523 PolarHBondContact N-O 3.28Å; V505-M523 PolarHBondContact O-N 2.91Å; I507-M523 HydrophobicContact CD1-CB 4.01Å; I507-M523 HydrophobicContact CD1-CG 3.97Å; I507-M523 HydrophobicContact CD1-SD 3.62Å; M523-R552 HydrophobicContact CE-CG 4.49Å
524	T	82.8	Confident	77.4	Confident	78 Å²	78	59.5 Å²	59.5	48%	0.479	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133	171.5	-42.6	0	0	0	0	110.7	D504 G526	D504-T524 WeakPolarHBondContact OD1-CA 3.36Å; D504-T524 VanDerWaalsContact OD1-CB 3.26Å; D504-T524 WeakPolarHBondContact OD1-CB 3.48Å; D504-T524 WeakPolarHBondContact OD1-CG2 3.46Å; D504-T524 PolarHBondContact OD1-OG1 3.01Å; T524-G526 PolarHBondContact O-N 3.43Å
525	V	78.5	Confident	75.7	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.018	28%	0.276	C	S	.	.			trans	-67.5	122	173.7	171.1	0	0	0	0	110.5	L499 H500 Q502 Q503 V505 L528 V550	L499-V525 HydrophobicContact CD1-CG2 4Å; H500-V525 WeakPolarHBondContact O-CG1 3.49Å; Q502-V525 WeakPolarHBondContact CA-O 3.01Å; Q502-V525 PolarHBondContact N-O 2.81Å; Q502-V525 PolarHBondContact NE2-O 2.92Å; Q503-V525 WeakPolarHBondContact O-CB 3.46Å; Q503-V525 WeakPolarHBondContact O-CG2 3.37Å; Q503-V525 PolarHBondContact O-N 2.84Å; V505-V525 HydrophobicContact CG1-CG2 4.09Å; V505-V525 HydrophobicContact CG2-CG2 3.76Å; V525-L528 HydrophobicContact CG1-CD2 3.45Å; V525-L528 VanDerWaalsContact CG1-CD2 3.45Å; V525-L528 HydrophobicContact CG1-CG 4.33Å; V525-V550 HydrophobicContact CG1-CG1 4.25Å
526	G	76	Confident	74.3	Confident	12 Å²	12	49.9 Å²	49.9	12%	0.124	25%	0.245	C	C	.	.			trans	-68.5	-82.1	176.3	0	0	0	0	0	112.5	Q502 T524 D551	Q502-G526 PolarHBondContact NE2-O 3.42Å; T524-G526 PolarHBondContact O-N 3.43Å; G526-D551 WeakPolarHBondContact CA-O 3.08Å; G526-D551 PolarHBondContact N-O 3.07Å; G526-D551 VanDerWaalsContact N-O 3.15Å
527	R	71	Confident	72.7	Confident	105 Å²	105	47.2 Å²	47.2	40%	0.396	23%	0.23	S	C	.	.			trans	-131.3	151.3	178	-66.3	-175.4	177.1	178.1	-0.1	110.3	Y538 D551 R553	R527-Y538 HydrophobicContact CB-CD1 4.15Å; R527-Y538 HydrophobicContact CB-CE1 4.36Å; R527-D551 HydrophobicContact CB-CB 4.02Å; R527-D551 PolarHBondContact O-N 3.15Å; R527-R553 VanDerWaalsContact CZ-NH2 3.26Å
528	L	71.1	Confident	71.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.6	174.1	-58.9	-172.3	0	0	0	109.3	L499 A501 V525 Y538 R539 L548	L499-L528 HydrophobicContact CD2-CD2 3.64Å; L499-L528 HydrophobicContact CG-CD2 3.87Å; L499-L528 VanDerWaalsContact O-CD1 3.23Å; L499-L528 WeakPolarHBondContact O-CD1 3.4Å; A501-L528 HydrophobicContact CB-CG 4.18Å; V525-L528 HydrophobicContact CG1-CD2 3.45Å; V525-L528 VanDerWaalsContact CG1-CD2 3.45Å; V525-L528 HydrophobicContact CG1-CG 4.33Å; L528-Y538 WeakPolarHBondContact O-CA 3.42Å; L528-R539 HydrophobicContact CB-CB 4.37Å; L528-R539 PolarHBondContact O-N 3.16Å; L528-L548 HydrophobicContact CB-CD1 4.13Å; L528-L548 HydrophobicContact CB-CD2 3.53Å; L528-L548 HydrophobicContact CB-CG 4.29Å; L528-L548 HydrophobicContact CD1-CD2 4.11Å; L528-L548 HydrophobicContact CD2-CD2 3.46Å; L528-L548 VanDerWaalsContact CD2-CD2 3.46Å; L528-L548 HydrophobicContact CG-CD2 3.85Å
529	W	70.8	Confident	69.5	Low	8 Å²	8	43.2 Å²	43.2	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.8	178.2	62	-71.9	0	0	0	115.3	Y480 Y489 C531 V536 Q537 L548 G549	Y480-W529 HydrophobicContact CD2-CH2 4.12Å; Y480-W529 HydrophobicContact CD2-CZ2 4.37Å; Y489-W529 AromaticContact CD1-NE1 3.97Å; Y489-W529 AromaticContact CD2-CE2 3.72Å; Y489-W529 AromaticContact CD2-CH2 3.93Å; Y489-W529 HydrophobicContact CD2-CH2 3.93Å; Y489-W529 AromaticContact CD2-CZ2 3.48Å; Y489-W529 HydrophobicContact CD2-CZ2 3.48Å; Y489-W529 VanDerWaalsContact CD2-CZ2 3.48Å; Y489-W529 AromaticContact CG-CE2 3.71Å; Y489-W529 AromaticContact CG-CZ2 3.64Å; Y489-W529 HydrophobicContact CG-CZ2 3.64Å; Y489-W529 AromaticContact CG-NE1 3.57Å; W529-C531 HydrophobicContact CE3-CB 4.1Å; W529-C531 HydrophobicContact CH2-CB 4.46Å; W529-C531 HydrophobicContact CZ3-CB 3.71Å; W529-V536 HydrophobicContact CB-CG1 3.55Å; W529-V536 HydrophobicContact CD2-CG1 3.98Å; W529-V536 HydrophobicContact CE3-CB 4.23Å; W529-V536 HydrophobicContact CE3-CG1 3.71Å; W529-V536 HydrophobicContact CE3-CG2 3.75Å; W529-V536 HydrophobicContact CG-CG1 3.95Å; W529-V536 HydrophobicContact CZ3-CG2 3.96Å; W529-Q537 WeakPolarHBondContact CA-O 3.5Å; W529-L548 VanDerWaalsContact C-CD1 3.49Å; W529-L548 VanDerWaalsContact O-CD1 3.26Å; W529-L548 WeakPolarHBondContact O-CD1 3.23Å; W529-L548 VanDerWaalsContact O-CG 3.29Å; W529-L548 WeakPolarHBondContact O-CG 3.39Å; W529-G549 PolarHBondContact N-O 3.45Å; W529-G549 VanDerWaalsContact N-O 3.08Å; W529-G549 VanDerWaalsContact NE1-CA 3.27Å; W529-G549 PolarHBondContact NE1-O 3.15Å; W529-G549 PolarHBondContact O-N 3.29Å
530	V	73.2	Confident	67.7	Low	1 Å²	1	46.4 Å²	46.4	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.5	167.6	179.6	0	0	0	0	108.2	M119 T183 Q537 R539 L548	M119-V530 HydrophobicContact CE-CB 4.18Å; M119-V530 HydrophobicContact CE-CG1 3.54Å; M119-V530 HydrophobicContact CE-CG2 3.59Å; M119-V530 HydrophobicContact SD-CG2 3.85Å; T183-V530 HydrophobicContact CG2-CG1 3.95Å; V530-Q537 HydrophobicContact CB-CB 4.37Å; V530-Q537 PolarHBondContact N-O 3.16Å; V530-Q537 PolarHBondContact O-N 2.98Å; V530-R539 HydrophobicContact CG2-CG 4.46Å; V530-L548 HydrophobicContact CG2-CD1 4.1Å
531	C	70.3	Confident	66	Low	2 Å²	2	48.6 Å²	48.6	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.1	-177.1	-168	0	0	0	0	111.8	P181 T183 F491 W529 S533	P181-C531 HydrophobicContact CB-CB 4.47Å; P181-C531 HydrophobicContact CG-CB 3.95Å; P181-C531 PolarHBondContact O-SG 3.29Å; T183-C531 PolarHBondContact N-O 3.15Å; F491-C531 HydrophobicContact CE2-CB 4.21Å; W529-C531 HydrophobicContact CE3-CB 4.1Å; W529-C531 HydrophobicContact CH2-CB 4.46Å; W529-C531 HydrophobicContact CZ3-CB 3.71Å; C531-S533 PolarHBondContact SG-N 3.43Å
532	E	69.4	Low	64.6	Low	1 Å²	1	44 Å²	44	1%	0.005	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-110.3	40.3	170	-63.6	-178.8	134.2	0	0	109.8	M115 Y163 R534 S535 Q537	M115-E532 WeakPolarHBondContact CE-OE1 3.38Å; Y163-E532 WeakPolarHBondContact CE1-O 3.46Å; E532-R534 PolarHBondContact O-N 3.45Å; E532-S535 PolarHBondContact N-O 3.24Å; E532-Q537 PolarHBondContact OE1-NE2 3.34Å; E532-Q537 PolarHBondContact OE2-NE2 2.83Å
533	S	62.2	Low	63.3	Low	7 Å²	7	43.1 Å²	43.1	5%	0.049	21%	0.207	C	C	.	.	S	Bend	trans	56.2	-88.9	-166	172.5	0	0	0	0	113.6	Y163 M180 P181 C531 S535	Y163-S533 PolarHBondContact O-OG 3.37Å; M180-S533 VanDerWaalsContact CE-O 3.26Å; M180-S533 WeakPolarHBondContact CE-O 3.49Å; P181-S533 PolarHBondContact O-N 3.18Å; C531-S533 PolarHBondContact SG-N 3.43Å; S533-S535 PolarHBondContact O-N 3.19Å
534	R	62.1	Low	61.4	Low	130 Å²	130	39.5 Å²	39.5	49%	0.491	19%	0.19	S	C	.	.	S	Bend	trans	-79.9	-0.6	-174.8	-58.8	-171.9	179.6	-163.3	-4.9	113.9	R162 Y163 D165 T166 E532	R162-R534 PolarHBondContact O-NH2 3.28Å; Y163-R534 HydrophobicContact CD2-CG 4.42Å; Y163-R534 HydrophobicContact CE1-CB 4.42Å; Y163-R534 HydrophobicContact CE1-CG 4.19Å; Y163-R534 HydrophobicContact CE2-CB 4.31Å; Y163-R534 HydrophobicContact CE2-CG 4.07Å; Y163-R534 PolarHBondContact O-NE 3.09Å; D165-R534 PolarHBondContact O-NH2 3.45Å; T166-R534 HydrophobicContact CG2-CG 4.05Å; E532-R534 PolarHBondContact O-N 3.45Å
535	S	48.5	Very low	59.3	Low	18 Å²	18	35.8 Å²	35.8	13%	0.126	17%	0.167	C	C	.	.			trans	-139.9	146.2	-177.3	-71.2	0	0	0	0	111	P106 E532 S533	P106-S535 WeakPolarHBondContact CD-OG 3.35Å; E532-S535 PolarHBondContact N-O 3.24Å; S533-S535 PolarHBondContact O-N 3.19Å
536	V	53.2	Low	57.5	Low	41 Å²	41	35.9 Å²	35.9	25%	0.248	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.8	-167.7	172.6	0	0	0	0	107.9	W529 Y538	W529-V536 HydrophobicContact CB-CG1 3.55Å; W529-V536 HydrophobicContact CD2-CG1 3.98Å; W529-V536 HydrophobicContact CE3-CB 4.23Å; W529-V536 HydrophobicContact CE3-CG1 3.71Å; W529-V536 HydrophobicContact CE3-CG2 3.75Å; W529-V536 HydrophobicContact CG-CG1 3.95Å; W529-V536 HydrophobicContact CZ3-CG2 3.96Å; V536-Y538 HydrophobicContact CG1-CE1 4.16Å
537	Q	50.3	Low	56	Low	13 Å²	13	35.7 Å²	35.7	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.3	174.3	-71.3	-173.4	23.7	0	0	110.3	L105 W529 V530 E532	L105-Q537 HydrophobicContact CD2-CG 3.89Å; W529-Q537 WeakPolarHBondContact CA-O 3.5Å; V530-Q537 HydrophobicContact CB-CB 4.37Å; V530-Q537 PolarHBondContact N-O 3.16Å; V530-Q537 PolarHBondContact O-N 2.98Å; E532-Q537 PolarHBondContact OE1-NE2 3.34Å; E532-Q537 PolarHBondContact OE2-NE2 2.83Å
538	Y	53.3	Low	55.2	Low	122 Å²	122	30.9 Å²	30.9	48%	0.478	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.4	174.7	-67.2	-66.1	0	0	0	112.3	R527 L528 V536	R527-Y538 HydrophobicContact CB-CD1 4.15Å; R527-Y538 HydrophobicContact CB-CE1 4.36Å; L528-Y538 WeakPolarHBondContact O-CA 3.42Å; V536-Y538 HydrophobicContact CG1-CE1 4.16Å
539	R	50.2	Low	53.8	Low	51 Å²	51	30.9 Å²	30.9	19%	0.192	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.9	178	-68	-163.6	170.6	-137.2	-6.8	113.2	A116 M119 L528 V530	A116-R539 VanDerWaalsContact CA-NH1 3.26Å; M119-R539 PolarHBondContact SD-NH1 2.84Å; M119-R539 VanDerWaalsContact SD-NH1 3.35Å; L528-R539 HydrophobicContact CB-CB 4.37Å; L528-R539 PolarHBondContact O-N 3.16Å; V530-R539 HydrophobicContact CG2-CG 4.46Å
540	S	46.1	Very low	52.4	Low	91 Å²	91	31 Å²	31	64%	0.636	15%	0.147	S	C	*	.	S	Bend	trans	-90.2	-26.8	172.2	54	0	0	0	0	113.6	H500 A501	H500-S540 WeakPolarHBondContact CA-O 3.45Å; A501-S540 PolarHBondContact N-O 2.95Å
541	K	48.6	Very low	50.8	Low	70 Å²	70	31.2 Å²	31.2	30%	0.304	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.4	-179.7	67.9	169.8	-167.7	164.1	0	113	D120 T498 L499	D120-K541 IonicContact OD1-NZ 2.74Å; D120-K541 IonicContact OD2-NZ 2.67Å; D120-K541 PolarHBondContact OD2-NZ 2.89Å; T498-K541 HydrophobicContact CG2-CB 4.09Å; L499-K541 CarbonylContact O-C 3.59Å; L499-K541 VanDerWaalsContact O-CA 3.27Å; L499-K541 WeakPolarHBondContact O-CA 3.26Å
542	S	52.4	Low	49.3	Very low	11 Å²	11	34.3 Å²	34.3	8%	0.077	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	129.2	170.2	-170.6	0	0	0	0	111	T498 L499	T498-S542 CarbonylContact C-O 3.59Å; T498-S542 WeakPolarHBondContact CA-O 3.46Å; T498-S542 WeakPolarHBondContact CG2-O 3.3Å; L499-S542 PolarHBondContact N-O 3.2Å; L499-S542 PolarHBondContact O-N 3.43Å
543	R	57.2	Low	47.5	Very low	66 Å²	66	41.3 Å²	41.3	25%	0.249	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	160	-175.9	-72.4	-168.2	144.3	168.3	-22.6	112.8	D120 P468 D469 T498 G546	D120-R543 IonicContact OD2-CZ 2.86Å; D120-R543 IonicContact OD2-NE 3.83Å; D120-R543 IonicContact OD2-NH1 3.87Å; D120-R543 PolarHBondContact OD2-NH1 3.22Å; P468-R543 HydrophobicContact CB-CB 4.2Å; P468-R543 HydrophobicContact CB-CG 4.25Å; D469-R543 IonicContact OD1-NH2 3.72Å; T498-R543 HydrophobicContact CG2-CG 3.95Å; R543-G546 PolarHBondContact O-N 3.14Å
544	A	42.7	Very low	46	Very low	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.6	139.4	169.1	0	0	0	0	0	112.5	T122 C466 P468 V494 G497 G546	T122-A544 WeakPolarHBondContact CG2-O 3.48Å; C466-A544 WeakPolarHBondContact O-CB 3.3Å; P468-A544 HydrophobicContact CB-CB 4.4Å; P468-A544 HydrophobicContact CG-CB 4.29Å; V494-A544 HydrophobicContact CG1-CB 4.44Å; G497-A544 PolarHBondContact O-N 3.3Å; A544-G546 PolarHBondContact O-N 2.99Å
545	G	38.4	Very low	44.3	Very low	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-21.1	-174	0	0	0	0	0	114.7	C466 V494	C466-G545 PolarHBondContact SG-N 2.75Å; V494-G545 PolarHBondContact O-N 2.89Å
546	G	41.2	Very low	43.3	Very low	4 Å²	4	63.7 Å²	63.7	4%	0.041	28%	0.275	C	S	.	.			trans	-74.7	145.3	172.5	0	0	0	0	0	113.3	V494 R543 A544	V494-G546 PolarHBondContact N-O 3.14Å; V494-G546 VanDerWaalsContact N-O 3.09Å; R543-G546 PolarHBondContact O-N 3.14Å; A544-G546 PolarHBondContact O-N 2.99Å
547	K	44.1	Very low	42.1	Very low	8 Å²	8	65.6 Å²	65.6	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.2	164.7	-64.5	-173.9	-169.1	163.6	0	109.6	N127 N197 F199 C218 F491 G492	N127-K547 VanDerWaalsContact OD1-CE 3.26Å; N127-K547 WeakPolarHBondContact OD1-CE 3.23Å; N197-K547 HydrophobicContact CB-CD 3.91Å; N197-K547 HydrophobicContact CB-CG 4.36Å; N197-K547 PolarHBondContact O-NZ 2.85Å; F199-K547 HydrophobicContact CE2-CD 3.9Å; F199-K547 HydrophobicContact CZ-CD 4.4Å; C218-K547 PolarHBondContact SG-NZ 3.3Å; F491-K547 HydrophobicContact CE1-CB 4.19Å; F491-K547 HydrophobicContact CE1-CD 4.06Å; F491-K547 HydrophobicContact CZ-CB 3.79Å; F491-K547 HydrophobicContact CZ-CD 4.07Å; F491-K547 HydrophobicContact CZ-CG 4.49Å; G492-K547 WeakPolarHBondContact O-CA 3.46Å
548	L	53.5	Low	40.9	Very low	5 Å²	5	72.7 Å²	72.7	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	146.3	-176.2	-167.2	97.6	0	0	0	110.8	G492 L499 L528 W529 V530	G492-L548 PolarHBondContact N-O 2.89Å; G492-L548 PolarHBondContact O-N 2.98Å; L499-L548 HydrophobicContact CD2-CD2 4.12Å; L528-L548 HydrophobicContact CB-CD1 4.13Å; L528-L548 HydrophobicContact CB-CD2 3.53Å; L528-L548 HydrophobicContact CB-CG 4.29Å; L528-L548 HydrophobicContact CD1-CD2 4.11Å; L528-L548 HydrophobicContact CD2-CD2 3.46Å; L528-L548 VanDerWaalsContact CD2-CD2 3.46Å; L528-L548 HydrophobicContact CG-CD2 3.85Å; W529-L548 VanDerWaalsContact C-CD1 3.49Å; W529-L548 VanDerWaalsContact O-CD1 3.26Å; W529-L548 WeakPolarHBondContact O-CD1 3.23Å; W529-L548 VanDerWaalsContact O-CG 3.29Å; W529-L548 WeakPolarHBondContact O-CG 3.39Å; V530-L548 HydrophobicContact CG2-CD1 4.1Å
549	G	42.2	Very low	39.8	Very low	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	154.8	162.9	0	0	0	0	0	113.6	A490 W529	A490-G549 CarbonylContact O-C 3.53Å; A490-G549 VanDerWaalsContact O-CA 3.29Å; A490-G549 WeakPolarHBondContact O-CA 3.39Å; W529-G549 PolarHBondContact N-O 3.45Å; W529-G549 VanDerWaalsContact N-O 3.08Å; W529-G549 VanDerWaalsContact NE1-CA 3.27Å; W529-G549 PolarHBondContact NE1-O 3.15Å; W529-G549 PolarHBondContact O-N 3.29Å
550	V	42.3	Very low	38.6	Very low	9 Å²	9	79 Å²	79	6%	0.055	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.9	-179.1	177.8	0	0	0	0	109.8	Y489 A490 L499 V525	Y489-V550 WeakPolarHBondContact CA-O 3.4Å; A490-V550 PolarHBondContact N-O 3Å; A490-V550 PolarHBondContact O-N 2.93Å; L499-V550 HydrophobicContact CD2-CG2 3.81Å; V525-V550 HydrophobicContact CG1-CG1 4.25Å
551	D	39.7	Very low	37.6	Very low	6 Å²	6	82.4 Å²	82.4	3%	0.032	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.9	175.8	173.9	14.8	0	0	0	111.4	Y489 G526 R527 R553	Y489-D551 HydrophobicContact CD1-CB 4.09Å; Y489-D551 HydrophobicContact CE1-CB 4.07Å; G526-D551 WeakPolarHBondContact CA-O 3.08Å; G526-D551 PolarHBondContact N-O 3.07Å; G526-D551 VanDerWaalsContact N-O 3.15Å; R527-D551 HydrophobicContact CB-CB 4.02Å; R527-D551 PolarHBondContact O-N 3.15Å; D551-R553 VanDerWaalsContact OD1-CG 3.22Å; D551-R553 WeakPolarHBondContact OD1-CG 3.27Å; D551-R553 WeakPolarHBondContact OD2-CG 3.38Å; D551-R553 IonicContact OD2-CZ 2.76Å; D551-R553 IonicContact OD2-NE 3.47Å; D551-R553 PolarHBondContact OD2-NE 3.17Å; D551-R553 IonicContact OD2-NH2 3.54Å
552	R	37.7	Very low	36.4	Very low	68 Å²	68	82.2 Å²	82.2	26%	0.257	41%	0.412	S	S	.	.			trans	-99.5	85.2	171.8	-72.3	-171.7	-179	175.6	3.7	110.1	M523 H554 H583	M523-R552 HydrophobicContact CE-CG 4.49Å; R552-H554 PolarHBondContact O-N 3.31Å; R552-H583 PolarHBondContact NH2-CD2 3Å; R552-H583 PolarHBondContact NH2-NE2 2.94Å; R552-H583 VanDerWaalsContact NH2-NE2 3.17Å
553	R	31.6	Very low	34.9	Very low	148 Å²	148	89 Å²	89	56%	0.558	45%	0.447	S	S	*	.			trans	-73.7	125.9	178.7	-64.6	-171.1	-179.6	-151.5	-14.2	113.7	R527 D551	R527-R553 VanDerWaalsContact CZ-NH2 3.26Å; D551-R553 VanDerWaalsContact OD1-CG 3.22Å; D551-R553 WeakPolarHBondContact OD1-CG 3.27Å; D551-R553 WeakPolarHBondContact OD2-CG 3.38Å; D551-R553 IonicContact OD2-CZ 2.76Å; D551-R553 IonicContact OD2-NE 3.47Å; D551-R553 PolarHBondContact OD2-NE 3.17Å; D551-R553 IonicContact OD2-NH2 3.54Å
554	H	30.6	Very low	33.3	Very low	185 Å²	185	93.5 Å²	93.5	86%	0.856	47%	0.47	S	S	*	.			trans	-81.8	150.8	147.1	-96.9	-73.2	0	0	0	109.6	R552	R552-H554 PolarHBondContact O-N 3.31Å
555	R	26.6	Very low	32.3	Very low	192 Å²	192	104.6 Å²	104.6	73%	0.725	51%	0.514	S	S	*	.			trans	-131.5	115.8	-175.7	-165.7	-177.6	-171.6	-169.7	1.6	112.5
556	R	27.4	Very low	31.5	Very low	248 Å²	248	107.4 Å²	107.4	94%	0.936	54%	0.543	S	S	*	.			trans	-172.9	145	158.8	-102.9	175.5	178.9	-151.6	-7.5	106.9
557	A	28	Very low	30.6	Very low	80 Å²	80	113.9 Å²	113.9	66%	0.661	59%	0.586	S	S	*	*			cis	-151.8	170.9	-4	0	0	0	0	0	111.2
558	N	26.1	Very low	29.5	Very low	163 Å²	163	122.5 Å²	122.5	87%	0.872	62%	0.618	S	S	*	*			trans	55.8	91	159.9	-61.1	8	0	0	0	120.1
559	S	29.3	Very low	28.2	Very low	121 Å²	121	127 Å²	127	85%	0.846	66%	0.656	S	S	*	*				-140.5	134.4	127.3	67.7	0	0	0	0	109.7	N561	S559-N561 PolarHBondContact O-N 2.94Å
560	E	25.8	Very low	27.3	Very low	183 Å²	183	133.6 Å²	133.6	86%	0.855	69%	0.687	S	S	*	*			trans	-76.9	113.3	178.7	-62.3	177.8	146.3	0	0	109.3
561	N	24.4	Very low	26.4	Very low	163 Å²	163	145 Å²	145	87%	0.872	73%	0.729	S	S	*	*			trans	170.5	135.5	130.4	-92.4	-55.8	0	0	0	112.5	S559	S559-N561 PolarHBondContact O-N 2.94Å
562	G	22.7	Very low	25.6	Very low	67 Å²	67	148 Å²	148	69%	0.691	76%	0.761	S	S	*	*	S	Bend	trans	72.4	86.4	150.4	0	0	0	0	0	118
563	N	21.8	Very low	25.1	Very low	152 Å²	152	149.2 Å²	149.2	81%	0.813	78%	0.779	S	S	*	*			trans	54.8	123.2	157.4	-62.2	-20.1	0	0	0	117.7
564	H	23.3	Very low	24.7	Very low	162 Å²	162	150.2 Å²	150.2	75%	0.75	79%	0.787	S	S	*	*				173	128.6	124.9	-95.1	78	0	0	0	109.1
565	Y	22.7	Very low	24.4	Very low	233 Å²	233	148.7 Å²	148.7	91%	0.914	79%	0.785	S	S	*	*			trans	-47.6	137.8	-174.9	-60.1	-91.8	0	0	0	113.3
566	G	20.4	Very low	24.4	Very low	59 Å²	59	143.2 Å²	143.2	61%	0.608	77%	0.767	S	S	*	*			trans	-117.3	130.4	176.8	0	0	0	0	0	111.4
567	C	21.9	Very low	24.4	Very low	140 Å²	140	140.1 Å²	140.1	95%	0.946	76%	0.76	S	S	*	*			trans	-87.5	125	163.8	-76	0	0	0	0	110.1
568	R	21.4	Very low	24.4	Very low	189 Å²	189	137.7 Å²	137.7	71%	0.713	74%	0.738	S	S	*	*			trans	-85.6	108.5	174.9	176.8	-169.6	-174.4	176.6	-1.4	108	E570	R568-E570 HydrophobicContact CG-CG 4.12Å; R568-E570 IonicContact NE-OE1 3.64Å; R568-E570 PolarHBondContact O-N 3.02Å
569	A	25.6	Very low	24.7	Very low	98 Å²	98	133 Å²	133	81%	0.81	71%	0.711	S	S	*	*			trans	-72.6	115.5	160.6	0	0	0	0	0	107.7
570	E	24	Very low	25	Very low	140 Å²	140	130.5 Å²	130.5	65%	0.654	69%	0.688	S	S	*	*			trans	-76.1	168.5	-169.1	-63	-165.7	125.2	0	0	113.9	R568 G572	R568-E570 HydrophobicContact CG-CG 4.12Å; R568-E570 IonicContact NE-OE1 3.64Å; R568-E570 PolarHBondContact O-N 3.02Å; E570-G572 PolarHBondContact O-N 2.91Å
571	R	23.6	Very low	26	Very low	249 Å²	249	122.9 Å²	122.9	94%	0.94	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	94.3	-179.1	-62.6	175.9	-178.2	175.3	-0.5	109.9
572	G	23.8	Very low	27	Very low	68 Å²	68	115.5 Å²	115.5	70%	0.701	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-162.9	-14.8	176.9	0	0	0	0	0	116.6	E570 K574	E570-G572 PolarHBondContact O-N 2.91Å; G572-K574 PolarHBondContact O-N 3.09Å
573	C	25.9	Very low	28.5	Very low	94 Å²	94	112.6 Å²	112.6	64%	0.635	58%	0.583	S	S	*	*			trans	-80.9	80.5	-176.5	-72	0	0	0	0	113.3
574	K	24.1	Very low	30	Very low	169 Å²	169	105.4 Å²	105.4	74%	0.735	55%	0.545	S	S	*	.	S	Bend	trans	-105.6	-22.4	166.1	-78.2	-169.9	173.2	-175.4	0	115.1	G572 R626	G572-K574 PolarHBondContact O-N 3.09Å; K574-R626 PolarHBondContact O-NH2 3.5Å; K574-R626 VanDerWaalsContact O-NH2 3.15Å
575	N	23.1	Very low	31.7	Very low	153 Å²	153	98 Å²	98	82%	0.818	51%	0.511	S	S	*	.			trans	-120.4	30.1	-162.4	-67.9	1.5	0	0	0	116.6
576	F	27.3	Very low	33.3	Very low	77 Å²	77	87 Å²	87	34%	0.338	47%	0.467	S	S	.	.			trans	-91.6	104.8	173.3	-141.8	-110.7	0	0	0	111.2	D519 R521 C578	D519-F576 WeakPolarHBondContact OD1-CZ 3.31Å; R521-F576 VanDerWaalsContact NE-CE2 3.35Å; F576-C578 VanDerWaalsContact C-N 3.29Å; F576-C578 HydrophobicContact CD1-CB 4.45Å; F576-C578 VanDerWaalsContact CD1-SG 3.54Å; F576-C578 VanDerWaalsContact CE1-SG 3.54Å; F576-C578 PolarHBondContact O-N 3.33Å
577	K	26.2	Very low	35.1	Very low	182 Å²	182	87.6 Å²	87.6	79%	0.791	46%	0.455	S	S	*	.			trans	-83.1	69.5	170.5	-72.7	-175.5	176.6	179.9	0	110.1	Q579	K577-Q579 VanDerWaalsContact C-N 3.3Å; K577-Q579 PolarHBondContact O-N 2.81Å
578	C	29.5	Very low	36.9	Very low	30 Å²	30	86.1 Å²	86.1	20%	0.203	44%	0.437	C	S	.	.			trans	-67.7	96.7	157.2	-90.6	0	0	0	0	107	F576	F576-C578 VanDerWaalsContact C-N 3.29Å; F576-C578 HydrophobicContact CD1-CB 4.45Å; F576-C578 VanDerWaalsContact CD1-SG 3.54Å; F576-C578 VanDerWaalsContact CE1-SG 3.54Å; F576-C578 PolarHBondContact O-N 3.33Å
579	Q	31.3	Very low	38.7	Very low	63 Å²	63	81.7 Å²	81.7	29%	0.294	42%	0.421	S	S	.	.			trans	-96.2	-28.2	178.6	-141.3	156.4	-24.6	0	0	111.2	K577 S636 T637	K577-Q579 VanDerWaalsContact C-N 3.3Å; K577-Q579 PolarHBondContact O-N 2.81Å; Q579-S636 PolarHBondContact NE2-OG 3.04Å; Q579-T637 PolarHBondContact NE2-O 3.43Å; Q579-T637 VanDerWaalsContact NE2-O 3.13Å
580	D	37.1	Very low	40.2	Very low	70 Å²	70	87.9 Å²	87.9	37%	0.374	42%	0.424	S	S	.	.	S	Bend	trans	-140.6	127.2	178.9	-58.7	-85	0	0	0	109.6
581	D	46.2	Very low	42.5	Very low	23 Å²	23	88.3 Å²	88.3	12%	0.123	43%	0.426	C	S	.	.			trans	-104.7	40.8	-162.1	-82.3	-25.4	0	0	0	115	N479 H583 K630	N479-D581 WeakPolarHBondContact ND2-CB 3.46Å; N479-D581 PolarHBondContact ND2-OD2 3.45Å; D581-H583 VanDerWaalsContact C-N 3.28Å; D581-H583 PolarHBondContact O-N 3.04Å; D581-H583 VanDerWaalsContact O-N 3.08Å; D581-H583 IonicContact OD1-NE2 3.67Å; D581-K630 WeakPolarHBondContact OD2-CA 2.98Å; D581-K630 VanDerWaalsContact OD2-CB 3.29Å; D581-K630 WeakPolarHBondContact OD2-CB 3.15Å; D581-K630 WeakPolarHBondContact OD2-CG 3.39Å
582	C	44.3	Very low	45.2	Very low	8 Å²	8	76.6 Å²	76.6	5%	0.054	38%	0.382	C	S	.	.			trans	-85.9	62.8	175.9	-140.4	0	0	0	0	112.1	T476 E510	T476-C582 CarbonylContact O-C 3.49Å; T476-C582 WeakPolarHBondContact O-CA 3.34Å; T476-C582 PolarHBondContact O-SG 2.98Å; E510-C582 HydrophobicContact CG-CB 4.34Å; E510-C582 WeakPolarHBondContact OE1-CB 3.31Å; E510-C582 PolarHBondContact OE1-N 3.48Å
583	H	54.6	Low	48.2	Very low	6 Å²	6	77.2 Å²	77.2	3%	0.028	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-75.2	143.4	-174	-59.3	-66.1	0	0	0	114.2	T476 I507 L508 R552 D581	T476-H583 PolarHBondContact N-O 2.66Å; T476-H583 WeakPolarHBondContact OG1-CB 3.42Å; T476-H583 PolarHBondContact OG1-N 3.5Å; T476-H583 PolarHBondContact OG1-O 3.18Å; I507-H583 HydrophobicContact CG2-CB 3.68Å; L508-H583 VanDerWaalsContact O-CA 3.28Å; L508-H583 WeakPolarHBondContact O-CA 3.46Å; L508-H583 PolarHBondContact O-ND1 2.91Å; R552-H583 PolarHBondContact NH2-CD2 3Å; R552-H583 PolarHBondContact NH2-NE2 2.94Å; R552-H583 VanDerWaalsContact NH2-NE2 3.17Å; D581-H583 VanDerWaalsContact C-N 3.28Å; D581-H583 PolarHBondContact O-N 3.04Å; D581-H583 VanDerWaalsContact O-N 3.08Å; D581-H583 IonicContact OD1-NE2 3.67Å
584	V	54.6	Low	51.2	Low	1 Å²	1	73.6 Å²	73.6	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.8	164.8	-165.8	0	0	0	0	109.6	M473 V474 I507 L508 T586 I594 F595	M473-V584 HydrophobicContact CE-CG1 3.75Å; M473-V584 HydrophobicContact SD-CG1 4.39Å; V474-V584 CarbonylContact O-C 3.57Å; V474-V584 VanDerWaalsContact O-CA 3.28Å; V474-V584 WeakPolarHBondContact O-CA 3.32Å; I507-V584 CarbonylContact C-O 3.08Å; I507-V584 WeakPolarHBondContact CA-O 3.42Å; L508-V584 HydrophobicContact CB-CB 4.21Å; L508-V584 HydrophobicContact CD1-CB 4.25Å; L508-V584 HydrophobicContact CG-CB 4.37Å; L508-V584 PolarHBondContact N-O 3.27Å; L508-V584 PolarHBondContact O-N 3.38Å; V584-T586 HydrophobicContact CB-CG2 4.48Å; V584-T586 HydrophobicContact CG1-CG2 3.66Å; V584-I594 HydrophobicContact CG2-CB 4.07Å; V584-I594 HydrophobicContact CG2-CG2 4.22Å; V584-F595 HydrophobicContact CB-CD2 4.49Å; V584-F595 HydrophobicContact CG1-CD2 4.16Å; V584-F595 HydrophobicContact CG1-CE2 3.96Å; V584-F595 HydrophobicContact CG2-CD2 3.67Å; V584-F595 HydrophobicContact CG2-CE2 4.33Å; V584-F595 HydrophobicContact CG2-CG 4.47Å
585	L	58.4	Low	54.3	Low	7 Å²	7	65.8 Å²	65.8	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.9	167.8	-54.4	108.7	0	0	0	110.1	V474 T476 V505 K506 I507	V474-L585 HydrophobicContact CB-CB 4.09Å; V474-L585 HydrophobicContact CB-CD1 3.93Å; V474-L585 HydrophobicContact CG1-CD1 4Å; V474-L585 HydrophobicContact CG2-CB 4.35Å; V474-L585 PolarHBondContact N-O 2.91Å; V474-L585 PolarHBondContact O-N 3.45Å; T476-L585 HydrophobicContact CG2-CD1 3.67Å; V505-L585 HydrophobicContact CB-CB 4.43Å; V505-L585 HydrophobicContact CB-CD2 4.37Å; V505-L585 HydrophobicContact CG2-CD2 3.61Å; K506-L585 WeakPolarHBondContact O-CA 3.29Å; I507-L585 HydrophobicContact CD1-CD2 4.18Å; I507-L585 HydrophobicContact CG1-CD2 3.94Å; I507-L585 HydrophobicContact CG1-CG 4.43Å
586	T	55.9	Low	57.4	Low	1 Å²	1	62.8 Å²	62.8	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.6	-177.5	79.9	0	0	0	0	110.6	L472 M473 V505 K506 L508 V584 V592	L472-T586 VanDerWaalsContact O-CA 3.3Å; L472-T586 WeakPolarHBondContact O-CA 3.29Å; M473-T586 HydrophobicContact CE-CG2 4.46Å; M473-T586 HydrophobicContact SD-CG2 3.65Å; V505-T586 CarbonylContact C-O 3.45Å; V505-T586 WeakPolarHBondContact CA-O 3.44Å; K506-T586 PolarHBondContact N-O 2.74Å; K506-T586 PolarHBondContact O-N 2.89Å; L508-T586 HydrophobicContact CD1-CG2 4.27Å; V584-T586 HydrophobicContact CB-CG2 4.48Å; V584-T586 HydrophobicContact CG1-CG2 3.66Å; T586-V592 HydrophobicContact CG2-CG1 3.83Å
587	M	58.1	Low	60.2	Low	72 Å²	72	61.9 Å²	61.9	36%	0.355	28%	0.283	S	S	.	.			trans	-70.4	170.5	159.6	-69.6	-134.6	-64.1	0	0	110.2	L472 Q503 Y589	L472-M587 HydrophobicContact CB-CG 3.86Å; L472-M587 HydrophobicContact CD2-CG 4.02Å; Q503-M587 PolarHBondContact NE2-SD 2.85Å; M587-Y589 HydrophobicContact CB-CD2 3.94Å; M587-Y589 HydrophobicContact CB-CE2 3.64Å; M587-Y589 HydrophobicContact CG-CE2 4.49Å; M587-Y589 PolarHBondContact O-N 3.16Å
588	L	60.5	Low	63.1	Low	109 Å²	109	54.3 Å²	54.3	57%	0.571	25%	0.251	S	S	*	.	S	Bend	trans	-69.6	54.2	-178.5	-61.4	170	0	0	0	113.2	K506 V522	K506-L588 HydrophobicContact CB-CD2 4.31Å; V522-L588 HydrophobicContact CG1-CD2 4.22Å; V522-L588 HydrophobicContact CG2-CD2 3.65Å
589	Y	59.4	Low	65.7	Low	95 Å²	95	56 Å²	56	37%	0.373	26%	0.255	S	S	.	.			trans	-84.5	146.9	173.1	-63.7	-66	0	0	0	111	P471 M587	P471-Y589 HydrophobicContact CB-CD2 4.22Å; P471-Y589 HydrophobicContact CB-CE2 3.55Å; M587-Y589 HydrophobicContact CB-CD2 3.94Å; M587-Y589 HydrophobicContact CB-CE2 3.64Å; M587-Y589 HydrophobicContact CG-CE2 4.49Å; M587-Y589 PolarHBondContact O-N 3.16Å
590	W	55.8	Low	68.4	Low	228 Å²	228	55.2 Å²	55.2	86%	0.864	25%	0.251	S	S	*	.	S	Bend	trans	-84.6	140	171.3	-54.9	89.6	0	0	0	109.1
591	Q	72.3	Confident	70.5	Confident	149 Å²	149	53.7 Å²	53.7	70%	0.696	24%	0.242	S	C	*	.	S	Bend	trans	65.9	52.1	178.6	-52.6	-178.7	-4.2	0	0	116.5	L514	L514-Q591 HydrophobicContact CD2-CB 4.39Å
592	V	80.6	Confident	72.5	Confident	4 Å²	4	53 Å²	53	2%	0.024	24%	0.239	C	C	.	.			trans	-95.6	149.2	170.4	-166	0	0	0	0	110.9	I459 M473 L508 Y512 L514 T586	I459-V592 HydrophobicContact CD1-CG1 4.33Å; I459-V592 HydrophobicContact CD1-CG2 4.23Å; M473-V592 HydrophobicContact CE-CG1 3.82Å; M473-V592 HydrophobicContact SD-CG1 3.58Å; M473-V592 VanDerWaalsContact SD-CG1 3.58Å; L508-V592 HydrophobicContact CD1-CB 4.48Å; L508-V592 HydrophobicContact CD1-CG1 4.47Å; Y512-V592 WeakPolarHBondContact CE1-O 3.38Å; L514-V592 WeakPolarHBondContact CD2-O 3.29Å; T586-V592 HydrophobicContact CG2-CG1 3.83Å
593	Y	87	Confident	74.6	Confident	80 Å²	80	57 Å²	57	31%	0.314	25%	0.253	S	S	.	.			trans	-112.6	157.2	178.6	-69	-104.3	0	0	0	111.2	P454 L514	P454-Y593 VanDerWaalsContact CD-CE2 3.46Å; P454-Y593 HydrophobicContact CG-CE2 4.33Å; L514-Y593 HydrophobicContact CD1-CE1 3.91Å; L514-Y593 HydrophobicContact CD1-CE2 3.75Å; L514-Y593 VanDerWaalsContact CD1-OH 3.29Å; L514-Y593 WeakPolarHBondContact CD1-OH 3.37Å; L514-Y593 HydrophobicContact CG-CE1 4.24Å; L514-Y593 HydrophobicContact CG-CE2 4.47Å
594	I	89.1	Confident	76.4	Confident	19 Å²	19	57.9 Å²	57.9	10%	0.097	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-80.6	163.1	177.3	62.4	173.1	0	0	0	113	T452 L508 E510 Y512 V584	T452-I594 WeakPolarHBondContact CB-O 3.32Å; T452-I594 HydrophobicContact CG2-CG1 4.15Å; T452-I594 WeakPolarHBondContact CG2-O 3.49Å; T452-I594 PolarHBondContact N-O 3.41Å; T452-I594 VanDerWaalsContact N-O 3.16Å; T452-I594 PolarHBondContact OG1-N 3.27Å; T452-I594 PolarHBondContact OG1-O 2.77Å; L508-I594 HydrophobicContact CB-CG2 3.86Å; L508-I594 HydrophobicContact CD1-CG2 4.12Å; E510-I594 WeakPolarHBondContact O-CD1 3.24Å; Y512-I594 HydrophobicContact CD1-CG2 3.9Å; Y512-I594 HydrophobicContact CG-CG2 4.43Å; V584-I594 HydrophobicContact CG2-CB 4.07Å; V584-I594 HydrophobicContact CG2-CG2 4.22Å
595	F	88.6	Confident	78.1	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.018	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-77.3	153.4	157.4	-62.9	-70.3	0	0	0	109.5	M447 N450 Y451 L463 M473 Q475 F495 V584	M447-F595 HydrophobicContact CE-CE1 4.02Å; M447-F595 HydrophobicContact SD-CE1 3.77Å; M447-F595 HydrophobicContact SD-CZ 4.49Å; N450-F595 HydrophobicContact CB-CD1 4.5Å; N450-F595 CarbonylContact O-C 3.57Å; N450-F595 VanDerWaalsContact O-CA 3.28Å; N450-F595 WeakPolarHBondContact O-CA 3.38Å; Y451-F595 HydrophobicContact CD2-CD1 4.31Å; Y451-F595 HydrophobicContact CD2-CE1 4.18Å; L463-F595 HydrophobicContact CD2-CZ 4.16Å; M473-F595 HydrophobicContact CE-CE2 4.27Å; M473-F595 HydrophobicContact CE-CZ 4.21Å; Q475-F595 HydrophobicContact CB-CD2 3.59Å; Q475-F595 HydrophobicContact CB-CE2 3.74Å; Q475-F595 HydrophobicContact CB-CG 4.36Å; Q475-F595 HydrophobicContact CG-CB 4.31Å; Q475-F595 HydrophobicContact CG-CD2 3.72Å; Q475-F595 HydrophobicContact CG-CE2 4.39Å; Q475-F595 HydrophobicContact CG-CG 4.17Å; F495-F595 HydrophobicContact CD2-CE1 4.5Å; F495-F595 HydrophobicContact CD2-CE2 4.33Å; F495-F595 AromaticContact CD2-CZ 3.92Å; F495-F595 HydrophobicContact CD2-CZ 3.92Å; F495-F595 HydrophobicContact CG-CZ 4.46Å; V584-F595 HydrophobicContact CB-CD2 4.49Å; V584-F595 HydrophobicContact CG1-CD2 4.16Å; V584-F595 HydrophobicContact CG1-CE2 3.96Å; V584-F595 HydrophobicContact CG2-CD2 3.67Å; V584-F595 HydrophobicContact CG2-CE2 4.33Å; V584-F595 HydrophobicContact CG2-CG 4.47Å
596	R	87.8	Confident	79.9	Confident	90 Å²	90	57.7 Å²	57.7	34%	0.34	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-61.4	144.3	174.4	-64.9	-176.6	-163	171	15.3	110.2	R216 L449 N450 T452	R216-R596 PolarHBondContact NH1-O 3.3Å; L449-R596 VanDerWaalsContact O-CD 3.31Å; L449-R596 WeakPolarHBondContact O-CD 3.27Å; L449-R596 PolarHBondContact O-NE 3.31Å; L449-R596 VanDerWaalsContact O-NE 3.09Å; L449-R596 PolarHBondContact O-NH1 3.49Å; L449-R596 PolarHBondContact O-NH2 3.34Å; N450-R596 PolarHBondContact O-N 2.69Å; T452-R596 HydrophobicContact CG2-CG 3.64Å
597	P	86.8	Confident	81.6	Confident	58 Å²	58	57.9 Å²	57.9	38%	0.377	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-51	166.9	168.8	-30.6	37.8	0	0	0	113.8	R216 E510 K599	R216-P597 PolarHBondContact NH1-O 2.97Å; R216-P597 PolarHBondContact NH2-O 2.85Å; E510-P597 HydrophobicContact CB-CG 4.42Å; E510-P597 HydrophobicContact CG-CG 4.49Å; E510-P597 WeakPolarHBondContact OE2-CB 3.44Å; E510-P597 WeakPolarHBondContact OE2-CG 3.43Å; P597-K599 PolarHBondContact O-N 3.48Å
598	L	87.4	Confident	83.3	Confident	23 Å²	23	55 Å²	55	12%	0.12	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-72	125.2	176.1	-68.7	176	0	0	0	110.2	A213 R216 T477 F600 P633	A213-L598 HydrophobicContact CB-CD1 3.84Å; R216-L598 HydrophobicContact CB-CD2 3.63Å; R216-L598 HydrophobicContact CG-CD2 3.87Å; T477-L598 HydrophobicContact CG2-CD2 4.27Å; L598-F600 HydrophobicContact CB-CE1 3.89Å; L598-F600 HydrophobicContact CB-CE2 4.01Å; L598-F600 HydrophobicContact CB-CZ 3.58Å; L598-F600 HydrophobicContact CD1-CE1 4.14Å; L598-F600 HydrophobicContact CD1-CZ 3.97Å; L598-F600 HydrophobicContact CG-CZ 4.43Å; L598-F600 PolarHBondContact O-N 2.85Å; L598-P633 HydrophobicContact CD1-CB 4.37Å
599	K	84.3	Confident	84.9	Confident	66 Å²	66	50 Å²	50	29%	0.287	22%	0.22	S	C	.	.			trans	-88.7	107	172.5	-174.4	167.2	-171.9	159.4	0	109.5	P597 N720 E721	P597-K599 PolarHBondContact O-N 3.48Å; K599-N720 PolarHBondContact NZ-O 3.15Å; K599-E721 WeakPolarHBondContact CD-OE1 3.39Å; K599-E721 WeakPolarHBondContact CE-OE1 3.3Å; K599-E721 IonicContact NZ-OE1 2.65Å; K599-E721 PolarHBondContact NZ-OE1 3.39Å
600	F	88.2	Confident	86.6	Confident	47 Å²	47	45.6 Å²	45.6	21%	0.206	20%	0.203	C	C	.	.			trans	-82	143.5	179.4	-59.1	-67.8	0	0	0	112.5	D209 L598 T602 P633 L634	D209-F600 HydrophobicContact CB-CD1 3.77Å; D209-F600 HydrophobicContact CB-CE1 3.7Å; L598-F600 HydrophobicContact CB-CE1 3.89Å; L598-F600 HydrophobicContact CB-CE2 4.01Å; L598-F600 HydrophobicContact CB-CZ 3.58Å; L598-F600 HydrophobicContact CD1-CE1 4.14Å; L598-F600 HydrophobicContact CD1-CZ 3.97Å; L598-F600 HydrophobicContact CG-CZ 4.43Å; L598-F600 PolarHBondContact O-N 2.85Å; F600-T602 VanDerWaalsContact C-N 3.29Å; F600-P633 HydrophobicContact CE1-CB 3.99Å; F600-P633 HydrophobicContact CZ-CB 3.88Å; F600-P633 WeakPolarHBondContact CZ-O 3.37Å; F600-L634 HydrophobicContact CB-CD1 4.35Å; F600-L634 HydrophobicContact CB-CD2 3.95Å; F600-L634 HydrophobicContact CD1-CB 4.39Å; F600-L634 HydrophobicContact CD1-CD2 4.3Å; F600-L634 HydrophobicContact CD2-CD1 3.69Å; F600-L634 HydrophobicContact CD2-CG 4.45Å; F600-L634 HydrophobicContact CE1-CB 4.35Å; F600-L634 HydrophobicContact CE2-CB 4.44Å; F600-L634 HydrophobicContact CE2-CD1 4.14Å; F600-L634 HydrophobicContact CG-CB 4.46Å; F600-L634 HydrophobicContact CG-CD1 4.02Å; F600-L634 HydrophobicContact CG-CD2 4Å; F600-L634 HydrophobicContact CG-CG 4.39Å; F600-L634 HydrophobicContact CZ-CB 4.36Å
601	N	81.8	Confident	88.3	Confident	37 Å²	37	39.2 Å²	39.2	20%	0.198	18%	0.183	C	C	.	.	S	Bend	trans	-84.6	-3.5	177.7	-164.3	8.3	0	0	0	112.6	R237 M241	R237-N601 PolarHBondContact NH1-O 3.16Å; R237-N601 VanDerWaalsContact NH2-C 3.29Å; R237-N601 PolarHBondContact NH2-O 2.97Å; R237-N601 PolarHBondContact O-ND2 3.4Å; M241-N601 HydrophobicContact SD-CB 4.07Å
602	T	87.8	Confident	89.3	Confident	8 Å²	8	32.7 Å²	32.7	5%	0.049	15%	0.153	C	C	.	.	S	Bend	trans	-137.2	173	177.1	-164.8	0	0	0	0	109.2	S208 F600 L634 T650	S208-T602 WeakPolarHBondContact OG-CG2 3.44Å; F600-T602 VanDerWaalsContact C-N 3.29Å; T602-L634 HydrophobicContact CG2-CD2 3.5Å; T602-L634 VanDerWaalsContact CG2-CD2 3.5Å; T602-T650 HydrophobicContact CG2-CG2 3.72Å
603	R	88.3	Confident	90	Very high	93 Å²	93	36 Å²	36	35%	0.351	17%	0.174	S	C	.	.			trans	-120.9	151.1	174	-70	-172.4	170.9	177.8	0.6	110.5	V605 E719 F919	R603-V605 HydrophobicContact CB-CG2 3.92Å; R603-E719 IonicContact CZ-OE1 3Å; R603-E719 IonicContact NH1-OE1 3.79Å; R603-E719 PolarHBondContact NH1-OE1 3.15Å; R603-E719 IonicContact NH1-OE2 3.2Å; R603-E719 IonicContact NH2-OE1 3.64Å; R603-E719 PolarHBondContact NH2-OE1 3.46Å; R603-E719 IonicContact NH2-OE2 3.87Å; R603-F919 HydrophobicContact CB-CD1 4.07Å; R603-F919 HydrophobicContact CB-CE1 4.45Å; R603-F919 HydrophobicContact CG-CD1 4.32Å; R603-F919 HydrophobicContact CG-CE1 4.37Å
604	S	91.4	Very high	90.2	Very high	24 Å²	24	36 Å²	36	17%	0.168	18%	0.179	C	C	.	.			trans	-77.5	120.7	164.2	-79.5	0	0	0	0	109.1	L634 G649	S604-L634 PolarHBondContact OG-O 2.94Å; S604-G649 CarbonylContact C-O 3.53Å; S604-G649 WeakPolarHBondContact CA-O 3.2Å; S604-G649 WeakPolarHBondContact OG-CA 3.45Å
605	V	91.7	Very high	90.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.206	C	C	.	.			trans	-134.5	-35.4	-164.1	169.3	0	0	0	0	111.3	R603 G649 V678 A679 P848 Y850 A895 F919	R603-V605 HydrophobicContact CB-CG2 3.92Å; V605-G649 PolarHBondContact N-O 3.32Å; V605-V678 HydrophobicContact CG1-CB 4.49Å; V605-V678 CarbonylContact O-C 3.57Å; V605-V678 WeakPolarHBondContact O-CA 3.11Å; V605-A679 PolarHBondContact O-N 2.96Å; V605-P848 HydrophobicContact CG1-CB 3.51Å; V605-P848 HydrophobicContact CG1-CG 3.24Å; V605-Y850 HydrophobicContact CB-CE1 4.5Å; V605-Y850 HydrophobicContact CG1-CE1 4.3Å; V605-A895 HydrophobicContact CG1-CB 4.41Å; V605-F919 HydrophobicContact CG2-CB 4.32Å; V605-F919 HydrophobicContact CG2-CD2 3.79Å; V605-F919 HydrophobicContact CG2-CE2 4.36Å; V605-F919 HydrophobicContact CG2-CG 3.97Å
606	I	94.3	Very high	90.5	Very high	4 Å²	4	44 Å²	44	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.8	174.5	-59.2	174.4	0	0	0	107.9	I608 L648 G649 G651 L655 P676 V677 Y850 F899	I606-I608 HydrophobicContact CG2-CG1 4.47Å; I606-L648 CarbonylContact O-C 3.59Å; I606-L648 VanDerWaalsContact O-CA 3.32Å; I606-L648 WeakPolarHBondContact O-CA 3.49Å; I606-G649 PolarHBondContact N-O 2.89Å; I606-G649 PolarHBondContact O-N 3.43Å; I606-G651 VanDerWaalsContact CD1-CA 3.44Å; I606-L655 HydrophobicContact CB-CD1 3.65Å; I606-L655 HydrophobicContact CG2-CD1 3.43Å; I606-L655 VanDerWaalsContact CG2-CD1 3.43Å; I606-P676 HydrophobicContact CG2-CB 3.88Å; I606-V677 WeakPolarHBondContact CA-O 3.24Å; I606-Y850 HydrophobicContact CD1-CE2 4.33Å; I606-Y850 WeakPolarHBondContact CD1-OH 3.35Å; I606-Y850 VanDerWaalsContact CG1-OH 3.3Å; I606-Y850 WeakPolarHBondContact CG1-OH 3.5Å; I606-F899 HydrophobicContact CB-CE1 4.45Å; I606-F899 HydrophobicContact CD1-CD1 4.47Å; I606-F899 HydrophobicContact CD1-CE1 3.87Å; I606-F899 HydrophobicContact CG1-CE1 3.92Å; I606-F899 HydrophobicContact CG2-CE1 3.72Å; I606-F899 HydrophobicContact CG2-CZ 4.17Å
607	K	93.2	Very high	90.7	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.017	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.4	-175.8	179.8	-172.3	157.6	171.9	0	109.2	E640 V646 I647 L648 V677	K607-E640 VanDerWaalsContact CE-OE1 3.31Å; K607-E640 WeakPolarHBondContact CE-OE1 3.49Å; K607-E640 IonicContact NZ-OE1 2.9Å; K607-E640 PolarHBondContact NZ-OE1 2.87Å; K607-E640 IonicContact NZ-OE2 2.6Å; K607-E640 PolarHBondContact NZ-OE2 2.89Å; K607-V646 HydrophobicContact CD-CG1 3.97Å; K607-V646 HydrophobicContact CG-CG1 3.43Å; K607-V646 VanDerWaalsContact CG-CG1 3.43Å; K607-I647 WeakPolarHBondContact CA-O 3.11Å; K607-L648 HydrophobicContact CB-CD2 3.74Å; K607-L648 HydrophobicContact CG-CD2 3.93Å; K607-V677 HydrophobicContact CB-CG2 3.83Å; K607-V677 HydrophobicContact CD-CG2 3.87Å; K607-V677 HydrophobicContact CG-CG2 4.05Å; K607-V677 PolarHBondContact N-O 2.76Å; K607-V677 PolarHBondContact O-N 2.89Å
608	I	93.9	Very high	90.9	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.5	174.6	-69.6	-179.5	0	0	0	108.7	I606 V610 V646 I647 L655 L659 V673 P676	I606-I608 HydrophobicContact CG2-CG1 4.47Å; I608-V610 HydrophobicContact CG2-CG1 3.95Å; I608-V646 CarbonylContact O-C 3.48Å; I608-V646 VanDerWaalsContact O-CA 3.32Å; I608-V646 WeakPolarHBondContact O-CA 3.49Å; I608-I647 PolarHBondContact N-O 2.89Å; I608-I647 PolarHBondContact O-N 3.2Å; I608-L655 HydrophobicContact CD1-CB 3.86Å; I608-L655 HydrophobicContact CD1-CD1 3.73Å; I608-L655 HydrophobicContact CD1-CG 4.27Å; I608-L655 HydrophobicContact CG1-CD1 4.07Å; I608-L659 HydrophobicContact CD1-CD1 4.15Å; I608-V673 HydrophobicContact CG2-CG1 3.67Å; I608-P676 HydrophobicContact CD1-CB 4.34Å; I608-P676 HydrophobicContact CG1-CB 3.93Å
609	A	93	Very high	91.1	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	143.7	164.3	0	0	0	0	0	110.3	E644 H645 A674 R958	A609-E644 WeakPolarHBondContact CB-OE2 3.21Å; A609-H645 CarbonylContact C-O 3.48Å; A609-H645 VanDerWaalsContact CA-O 3.31Å; A609-H645 WeakPolarHBondContact CA-O 3.41Å; A609-A674 HydrophobicContact CB-CB 3.92Å; A609-A674 PolarHBondContact O-N 2.93Å; A609-R958 VanDerWaalsContact N-NH2 3.12Å
610	V	94.3	Very high	91.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.5	-179.5	-61.8	0	0	0	0	110.4	I608 M621 L625 H645 I647 L659 I671 K672 V673	I608-V610 HydrophobicContact CG2-CG1 3.95Å; V610-M621 HydrophobicContact CG2-CE 4.22Å; V610-M621 HydrophobicContact CG2-SD 4.31Å; V610-L625 HydrophobicContact CG2-CD1 4.18Å; V610-L625 HydrophobicContact CG2-CD2 4.21Å; V610-H645 HydrophobicContact CG2-CB 3.96Å; V610-H645 PolarHBondContact N-O 2.86Å; V610-H645 WeakPolarHBondContact O-CB 3.36Å; V610-I647 HydrophobicContact CB-CD1 4.49Å; V610-I647 HydrophobicContact CG1-CD1 3.65Å; V610-I647 HydrophobicContact CG1-CG1 4.07Å; V610-I647 HydrophobicContact CG2-CD1 4Å; V610-I647 HydrophobicContact CG2-CG1 3.97Å; V610-L659 HydrophobicContact CG1-CD2 3.84Å; V610-I671 HydrophobicContact CB-CG2 3.83Å; V610-I671 HydrophobicContact CG1-CG2 4.27Å; V610-K672 WeakPolarHBondContact CA-O 3.31Å; V610-V673 HydrophobicContact CG1-CG2 4.22Å
611	E	92.8	Very high	91.7	Very high	94 Å²	94	45.1 Å²	45.1	44%	0.439	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.1	175.3	-66	-174.8	163	0	0	109.2	I671 K672	E611-I671 CarbonylContact O-C 3.58Å; E611-I671 WeakPolarHBondContact O-CA 3.39Å; E611-I671 WeakPolarHBondContact O-CG2 3.49Å; E611-K672 HydrophobicContact CB-CB 4.46Å; E611-K672 PolarHBondContact N-O 3Å; E611-K672 PolarHBondContact O-N 3.4Å
612	P	93.8	Very high	92.2	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.071	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	146.2	173.4	33.1	-35.5	0	0	0	109.4	N614 L618 M621 I669	P612-N614 WeakPolarHBondContact CB-O 3.33Å; P612-N614 PolarHBondContact O-N 2.88Å; P612-L618 HydrophobicContact CG-CB 4.31Å; P612-L618 HydrophobicContact CG-CD1 4.26Å; P612-M621 HydrophobicContact CB-SD 4.4Å; P612-I669 HydrophobicContact CB-CD1 4.39Å
613	V	93.5	Very high	92.3	Very high	75 Å²	75	48.6 Å²	48.6	46%	0.455	27%	0.266	S	S	.	.	S	Bend	trans	-60.5	-39.4	172.9	170.4	0	0	0	0	110.4	D670 K672	V613-D670 HydrophobicContact CB-CB 4.17Å; V613-D670 HydrophobicContact CG2-CB 3.73Å; V613-D670 WeakPolarHBondContact CG2-O 3.37Å; V613-D670 PolarHBondContact N-O 3.01Å; V613-K672 HydrophobicContact CG2-CG 3.8Å
614	N	92.2	Very high	92.4	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	25%	0.249	S	C	.	.	S	Bend	trans	-107	114	174.9	-175.9	-1.4	0	0	0	110.9	P612 S616 E617	P612-N614 WeakPolarHBondContact CB-O 3.33Å; P612-N614 PolarHBondContact O-N 2.88Å; N614-S616 PolarHBondContact ND2-OG 2.75Å; N614-S616 PolarHBondContact O-N 3.29Å; N614-S616 VanDerWaalsContact O-N 3.1Å; N614-S616 PolarHBondContact OD1-N 2.62Å; N614-S616 PolarHBondContact OD1-OG 2.74Å; N614-S616 VanDerWaalsContact OD1-OG 3.12Å; N614-E617 HydrophobicContact CB-CG 4.27Å; N614-E617 PolarHBondContact O-N 2.78Å
615	P	92	Very high	92.4	Very high	101 Å²	101	43.4 Å²	43.4	66%	0.656	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-56.2	-26.8	-178.8	-28.5	36.5	0	0	0	115.4	E617 L618	P615-E617 PolarHBondContact O-N 3.04Å; P615-L618 VanDerWaalsContact O-CB 3.31Å; P615-L618 WeakPolarHBondContact O-CB 3.37Å; P615-L618 PolarHBondContact O-N 3.43Å
616	S	92.2	Very high	92.4	Very high	91 Å²	91	48.7 Å²	48.7	64%	0.636	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18.9	177.9	69.5	0	0	0	0	113.4	N614 P619	N614-S616 PolarHBondContact ND2-OG 2.75Å; N614-S616 PolarHBondContact O-N 3.29Å; N614-S616 VanDerWaalsContact O-N 3.1Å; N614-S616 PolarHBondContact OD1-N 2.62Å; N614-S616 PolarHBondContact OD1-OG 2.74Å; N614-S616 VanDerWaalsContact OD1-OG 3.12Å; S616-P619 WeakPolarHBondContact O-CD 3.18Å
617	E	91.4	Very high	92.2	Very high	49 Å²	49	49.9 Å²	49.9	23%	0.229	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-92	4.2	-180	-55.8	-159.1	107.4	0	0	113.7	N614 P615 P619 K620 M621 I669	N614-E617 HydrophobicContact CB-CG 4.27Å; N614-E617 PolarHBondContact O-N 2.78Å; P615-E617 PolarHBondContact O-N 3.04Å; E617-P619 VanDerWaalsContact C-N 3.27Å; E617-P619 VanDerWaalsContact O-N 3.15Å; E617-K620 HydrophobicContact CB-CD 4.35Å; E617-K620 WeakPolarHBondContact O-CA 3.38Å; E617-K620 WeakPolarHBondContact O-CB 3.49Å; E617-K620 PolarHBondContact O-N 3.47Å; E617-K620 WeakPolarHBondContact OE1-CE 3.24Å; E617-K620 IonicContact OE1-NZ 3.4Å; E617-K620 PolarHBondContact OE1-NZ 3.09Å; E617-M621 PolarHBondContact O-N 2.88Å; E617-M621 VanDerWaalsContact O-N 3.09Å; E617-I669 HydrophobicContact CB-CG2 4.08Å; E617-I669 HydrophobicContact CG-CG2 4.46Å; E617-I669 WeakPolarHBondContact OE2-CG2 3.41Å
618	L	91.7	Very high	92.1	Very high	60 Å²	60	49.7 Å²	49.7	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-48.1	-39.9	175.7	-175.2	62.6	0	0	0	113.9	P612 P615 K620 M621 L622	P612-L618 HydrophobicContact CG-CB 4.31Å; P612-L618 HydrophobicContact CG-CD1 4.26Å; P615-L618 VanDerWaalsContact O-CB 3.31Å; P615-L618 WeakPolarHBondContact O-CB 3.37Å; P615-L618 PolarHBondContact O-N 3.43Å; L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 2.95Å; L618-M621 HydrophobicContact CD1-CE 3.88Å; L618-M621 PolarHBondContact O-N 3.35Å; L618-L622 HydrophobicContact CD1-CG 4.36Å; L618-L622 HydrophobicContact CG-CD1 4.14Å; L618-L622 HydrophobicContact CG-CG 4.4Å; L618-L622 WeakPolarHBondContact O-CB 3.16Å; L618-L622 VanDerWaalsContact O-CG 3.32Å; L618-L622 WeakPolarHBondContact O-CG 3.2Å; L618-L622 PolarHBondContact O-N 3.37Å
619	P	92.3	Very high	91.9	Very high	92 Å²	92	49.7 Å²	49.7	60%	0.597	27%	0.267	S	S	*	.	H	α-helix	trans	-62.9	-34.7	175	-23.1	35.5	0	0	0	114	S616 E617 D623	S616-P619 WeakPolarHBondContact O-CD 3.18Å; E617-P619 VanDerWaalsContact C-N 3.27Å; E617-P619 VanDerWaalsContact O-N 3.15Å; P619-D623 PolarHBondContact O-N 2.81Å; P619-D623 VanDerWaalsContact O-N 3.08Å
620	K	91	Very high	91.6	Very high	106 Å²	106	52.8 Å²	52.8	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-68	-43.6	174.1	-61.9	-178.6	-179.9	177.1	0	110.5	E617 L618 L622 D623 G624 S667 I669	E617-K620 HydrophobicContact CB-CD 4.35Å; E617-K620 WeakPolarHBondContact O-CA 3.38Å; E617-K620 WeakPolarHBondContact O-CB 3.49Å; E617-K620 PolarHBondContact O-N 3.47Å; E617-K620 WeakPolarHBondContact OE1-CE 3.24Å; E617-K620 IonicContact OE1-NZ 3.4Å; E617-K620 PolarHBondContact OE1-NZ 3.09Å; L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 2.95Å; K620-L622 PolarHBondContact O-N 2.81Å; K620-D623 PolarHBondContact O-N 2.8Å; K620-G624 PolarHBondContact O-N 3.47Å; K620-S667 WeakPolarHBondContact O-CB 3.35Å; K620-I669 HydrophobicContact CB-CG2 4.34Å; K620-I669 HydrophobicContact CD-CG2 3.78Å
621	M	92.5	Very high	91.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-45.5	176.3	-165	-179.8	76.9	0	0	111.1	V610 P612 E617 L618 D623 G624 L625 H645 I669 I671	V610-M621 HydrophobicContact CG2-CE 4.22Å; V610-M621 HydrophobicContact CG2-SD 4.31Å; P612-M621 HydrophobicContact CB-SD 4.4Å; E617-M621 PolarHBondContact O-N 2.88Å; E617-M621 VanDerWaalsContact O-N 3.09Å; L618-M621 HydrophobicContact CD1-CE 3.88Å; L618-M621 PolarHBondContact O-N 3.35Å; M621-D623 VanDerWaalsContact C-N 3.34Å; M621-D623 PolarHBondContact O-N 2.85Å; M621-G624 CarbonylContact O-C 3.48Å; M621-G624 WeakPolarHBondContact O-CA 3.37Å; M621-G624 PolarHBondContact O-N 2.82Å; M621-G624 VanDerWaalsContact O-N 3.16Å; M621-L625 HydrophobicContact CE-CD1 4.04Å; M621-L625 HydrophobicContact CG-CD1 4.32Å; M621-L625 HydrophobicContact CG-CG 4.38Å; M621-L625 WeakPolarHBondContact O-CB 3.42Å; M621-L625 WeakPolarHBondContact O-CG 3.37Å; M621-L625 PolarHBondContact O-N 3.42Å; M621-H645 HydrophobicContact CE-CB 3.96Å; M621-H645 VanDerWaalsContact CE-CD2 3.42Å; M621-H645 WeakPolarHBondContact CE-CD2 3.28Å; M621-I669 HydrophobicContact CB-CD1 3.54Å; M621-I669 HydrophobicContact CG-CD1 3.98Å; M621-I671 HydrophobicContact CG-CD1 4Å; M621-I671 HydrophobicContact CG-CG1 4.5Å; M621-I671 HydrophobicContact SD-CD1 4.28Å; M621-I671 HydrophobicContact SD-CG1 4.33Å; M621-I671 HydrophobicContact SD-CG2 4.3Å
622	L	92.1	Very high	91.2	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.277	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-37	178.6	-73.3	173.2	0	0	0	112.9	L618 K620 R626	L618-L622 HydrophobicContact CD1-CG 4.36Å; L618-L622 HydrophobicContact CG-CD1 4.14Å; L618-L622 HydrophobicContact CG-CG 4.4Å; L618-L622 WeakPolarHBondContact O-CB 3.16Å; L618-L622 VanDerWaalsContact O-CG 3.32Å; L618-L622 WeakPolarHBondContact O-CG 3.2Å; L618-L622 PolarHBondContact O-N 3.37Å; K620-L622 PolarHBondContact O-N 2.81Å; L622-R626 WeakPolarHBondContact O-CD 3.38Å; L622-R626 VanDerWaalsContact O-CG 3.23Å; L622-R626 WeakPolarHBondContact O-CG 3.21Å; L622-R626 PolarHBondContact O-N 2.89Å; L622-R626 VanDerWaalsContact O-N 3.09Å
623	D	90.1	Very high	91	Very high	65 Å²	65	48.8 Å²	48.8	35%	0.348	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-46.8	170.9	-168.9	52.8	0	0	0	111	P619 K620 M621 L625 R626 K627	P619-D623 PolarHBondContact O-N 2.81Å; P619-D623 VanDerWaalsContact O-N 3.08Å; K620-D623 PolarHBondContact O-N 2.8Å; M621-D623 VanDerWaalsContact C-N 3.34Å; M621-D623 PolarHBondContact O-N 2.85Å; D623-L625 PolarHBondContact O-N 3.03Å; D623-R626 WeakPolarHBondContact O-CB 3.34Å; D623-R626 PolarHBondContact O-N 3.29Å; D623-R626 VanDerWaalsContact O-N 3.15Å; D623-K627 VanDerWaalsContact O-CG 3.29Å; D623-K627 WeakPolarHBondContact O-CG 3.39Å; D623-K627 PolarHBondContact O-N 3.43Å; D623-K627 WeakPolarHBondContact OD2-CE 3.15Å; D623-K627 IonicContact OD2-NZ 3.53Å; D623-K627 PolarHBondContact OD2-NZ 3.1Å
624	G	90.6	Very high	90.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.8	-44.6	174	0	0	0	0	0	113.8	K620 M621 K627 V628	K620-G624 PolarHBondContact O-N 3.47Å; M621-G624 CarbonylContact O-C 3.48Å; M621-G624 WeakPolarHBondContact O-CA 3.37Å; M621-G624 PolarHBondContact O-N 2.82Å; M621-G624 VanDerWaalsContact O-N 3.16Å; G624-K627 WeakPolarHBondContact O-CB 3.48Å; G624-K627 PolarHBondContact O-N 3.32Å; G624-K627 VanDerWaalsContact O-N 3.16Å; G624-V628 PolarHBondContact O-N 3.21Å
625	L	93	Very high	90.9	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-42.8	175.7	-72.1	178.4	0	0	0	112.2	V610 M621 D623 K627 V628 N629 T637 H645 I647 V662	V610-L625 HydrophobicContact CG2-CD1 4.18Å; V610-L625 HydrophobicContact CG2-CD2 4.21Å; M621-L625 HydrophobicContact CE-CD1 4.04Å; M621-L625 HydrophobicContact CG-CD1 4.32Å; M621-L625 HydrophobicContact CG-CG 4.38Å; M621-L625 WeakPolarHBondContact O-CB 3.42Å; M621-L625 WeakPolarHBondContact O-CG 3.37Å; M621-L625 PolarHBondContact O-N 3.42Å; D623-L625 PolarHBondContact O-N 3.03Å; L625-K627 VanDerWaalsContact C-N 3.29Å; L625-K627 PolarHBondContact O-N 3.01Å; L625-V628 HydrophobicContact CD2-CG2 4.48Å; L625-V628 VanDerWaalsContact O-CG2 3.25Å; L625-V628 WeakPolarHBondContact O-CG2 3.4Å; L625-V628 PolarHBondContact O-N 2.79Å; L625-N629 PolarHBondContact O-N 2.93Å; L625-T637 HydrophobicContact CB-CG2 4.17Å; L625-T637 HydrophobicContact CD2-CG2 4Å; L625-H645 HydrophobicContact CD1-CB 4.13Å; L625-I647 HydrophobicContact CD2-CD1 3.69Å; L625-I647 HydrophobicContact CD2-CG1 4.05Å; L625-V662 HydrophobicContact CD2-CG2 4.3Å
626	R	90.4	Very high	90.8	Very high	113 Å²	113	39.4 Å²	39.4	43%	0.426	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-35.4	172.8	-70.3	163	178.4	179.5	-5.4	111.9	K574 L622 D623 K630	K574-R626 PolarHBondContact O-NH2 3.5Å; K574-R626 VanDerWaalsContact O-NH2 3.15Å; L622-R626 WeakPolarHBondContact O-CD 3.38Å; L622-R626 VanDerWaalsContact O-CG 3.23Å; L622-R626 WeakPolarHBondContact O-CG 3.21Å; L622-R626 PolarHBondContact O-N 2.89Å; L622-R626 VanDerWaalsContact O-N 3.09Å; D623-R626 WeakPolarHBondContact O-CB 3.34Å; D623-R626 PolarHBondContact O-N 3.29Å; D623-R626 VanDerWaalsContact O-N 3.15Å; R626-K630 VanDerWaalsContact O-CG 3.28Å; R626-K630 WeakPolarHBondContact O-CG 3.31Å; R626-K630 PolarHBondContact O-N 2.79Å
627	K	89.4	Confident	90.8	Very high	28 Å²	28	36.4 Å²	36.4	12%	0.122	18%	0.184	C	C	.	.	H	α-helix	trans	-69.5	-38.4	177.2	-70.3	-177.9	-179.1	150.6	0	112.3	F488 D623 G624 L625 K630 S631 F666	F488-K627 HydrophobicContact CE2-CB 3.96Å; F488-K627 HydrophobicContact CE2-CD 4.33Å; F488-K627 HydrophobicContact CE2-CG 3.79Å; F488-K627 HydrophobicContact CZ-CB 3.83Å; F488-K627 HydrophobicContact CZ-CG 4.19Å; F488-K627 WeakPolarHBondContact CZ-O 3.4Å; D623-K627 VanDerWaalsContact O-CG 3.29Å; D623-K627 WeakPolarHBondContact O-CG 3.39Å; D623-K627 PolarHBondContact O-N 3.43Å; D623-K627 WeakPolarHBondContact OD2-CE 3.15Å; D623-K627 IonicContact OD2-NZ 3.53Å; D623-K627 PolarHBondContact OD2-NZ 3.1Å; G624-K627 WeakPolarHBondContact O-CB 3.48Å; G624-K627 PolarHBondContact O-N 3.32Å; G624-K627 VanDerWaalsContact O-N 3.16Å; L625-K627 VanDerWaalsContact C-N 3.29Å; L625-K627 PolarHBondContact O-N 3.01Å; K627-K630 PolarHBondContact O-N 2.93Å; K627-S631 PolarHBondContact O-N 3Å; K627-S631 VanDerWaalsContact O-N 3.17Å; K627-F666 HydrophobicContact CB-CB 4.16Å; K627-F666 HydrophobicContact CB-CD1 3.76Å; K627-F666 HydrophobicContact CB-CD2 4.08Å; K627-F666 HydrophobicContact CB-CE1 4.04Å; K627-F666 HydrophobicContact CB-CE2 4.36Å; K627-F666 HydrophobicContact CB-CG 3.75Å; K627-F666 HydrophobicContact CB-CZ 4.33Å; K627-F666 HydrophobicContact CD-CB 3.9Å; K627-F666 HydrophobicContact CD-CD1 3.56Å; K627-F666 HydrophobicContact CD-CE1 4.31Å; K627-F666 HydrophobicContact CD-CG 3.96Å; K627-F666 HydrophobicContact CG-CD1 4.26Å; K627-F666 PolarHBondContact NZ-O 3.34Å
628	V	91.6	Very high	90.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-71.7	-35.7	175.8	-70.7	0	0	0	0	113.9	G624 L625 K630 S631 Y632 L635 V658 D661 V662 F666	G624-V628 PolarHBondContact O-N 3.21Å; L625-V628 HydrophobicContact CD2-CG2 4.48Å; L625-V628 VanDerWaalsContact O-CG2 3.25Å; L625-V628 WeakPolarHBondContact O-CG2 3.4Å; L625-V628 PolarHBondContact O-N 2.79Å; V628-K630 VanDerWaalsContact C-N 3.28Å; V628-K630 PolarHBondContact O-N 2.92Å; V628-S631 CarbonylContact O-C 3.55Å; V628-S631 WeakPolarHBondContact O-CA 3.4Å; V628-S631 WeakPolarHBondContact O-CB 3.08Å; V628-S631 PolarHBondContact O-N 2.87Å; V628-Y632 HydrophobicContact CB-CD2 4.23Å; V628-Y632 PolarHBondContact O-N 3.44Å; V628-L635 HydrophobicContact CB-CD2 3.67Å; V628-L635 HydrophobicContact CG2-CD2 3.49Å; V628-L635 VanDerWaalsContact CG2-CD2 3.49Å; V628-V658 HydrophobicContact CB-CG1 4.15Å; V628-V658 HydrophobicContact CG1-CG1 4.29Å; V628-V658 HydrophobicContact CG2-CG1 4.11Å; V628-D661 HydrophobicContact CG1-CB 4.04Å; V628-V662 HydrophobicContact CB-CG2 4.21Å; V628-V662 HydrophobicContact CG1-CG2 3.52Å; V628-V662 HydrophobicContact CG2-CG2 3.63Å; V628-F666 HydrophobicContact CG1-CD2 3.6Å; V628-F666 HydrophobicContact CG1-CE2 3.67Å
629	N	90.3	Very high	90.6	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.07	20%	0.198	C	C	.	.	H	α-helix	trans	-56.7	-44.8	172.3	-72.2	-10.3	0	0	0	111.1	L625 S631 Y632 T637	L625-N629 PolarHBondContact O-N 2.93Å; N629-S631 PolarHBondContact O-N 2.74Å; N629-Y632 PolarHBondContact O-N 2.97Å; N629-T637 PolarHBondContact ND2-OG1 3.03Å; N629-T637 VanDerWaalsContact OD1-CG2 3.24Å; N629-T637 WeakPolarHBondContact OD1-CG2 3.29Å
630	K	85.9	Confident	90.2	Very high	69 Å²	69	35.3 Å²	35.3	30%	0.3	17%	0.173	S	C	.	.	H	α-helix	trans	-60.9	-34.4	175.9	-60.8	170.5	177	174.5	0	112.6	N479 F488 D581 R626 K627 V628	N479-K630 WeakPolarHBondContact CB-O 3.46Å; F488-K630 HydrophobicContact CD1-CB 4.42Å; F488-K630 HydrophobicContact CD2-CD 4.25Å; F488-K630 HydrophobicContact CE1-CB 4.26Å; F488-K630 HydrophobicContact CE2-CD 4.33Å; F488-K630 HydrophobicContact CZ-CB 4.44Å; D581-K630 WeakPolarHBondContact OD2-CA 2.98Å; D581-K630 VanDerWaalsContact OD2-CB 3.29Å; D581-K630 WeakPolarHBondContact OD2-CB 3.15Å; D581-K630 WeakPolarHBondContact OD2-CG 3.39Å; R626-K630 VanDerWaalsContact O-CG 3.28Å; R626-K630 WeakPolarHBondContact O-CG 3.31Å; R626-K630 PolarHBondContact O-N 2.79Å; K627-K630 PolarHBondContact O-N 2.93Å; V628-K630 VanDerWaalsContact C-N 3.28Å; V628-K630 PolarHBondContact O-N 2.92Å
631	S	87.9	Confident	89.7	Confident	5 Å²	5	37.4 Å²	37.4	4%	0.035	19%	0.185	C	C	.	.	H	α-helix	trans	-81.5	-27.5	-177.7	-174.9	0	0	0	0	113.6	K178 K478 K627 V628 N629	K178-S631 WeakPolarHBondContact CE-OG 3.47Å; K178-S631 PolarHBondContact NZ-O 3.32Å; K178-S631 PolarHBondContact NZ-OG 2.91Å; K478-S631 PolarHBondContact NZ-O 3.33Å; K627-S631 PolarHBondContact O-N 3Å; K627-S631 VanDerWaalsContact O-N 3.17Å; V628-S631 CarbonylContact O-C 3.55Å; V628-S631 WeakPolarHBondContact O-CA 3.4Å; V628-S631 WeakPolarHBondContact O-CB 3.08Å; V628-S631 PolarHBondContact O-N 2.87Å; N629-S631 PolarHBondContact O-N 2.74Å
632	Y	92	Very high	89.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-124.6	104.3	-171.4	-75.9	-87.4	0	0	0	111	I177 K178 F207 V628 N629 L634 L635 Y654 V658 D661	I177-Y632 HydrophobicContact CG2-CE1 4.11Å; K178-Y632 VanDerWaalsContact NZ-CD2 3.25Å; K178-Y632 VanDerWaalsContact NZ-CG 3.27Å; F207-Y632 HydrophobicContact CE1-CE1 4.32Å; V628-Y632 HydrophobicContact CB-CD2 4.23Å; V628-Y632 PolarHBondContact O-N 3.44Å; N629-Y632 PolarHBondContact O-N 2.97Å; Y632-L634 VanDerWaalsContact C-N 3.25Å; Y632-L634 PolarHBondContact O-N 3.39Å; Y632-L635 WeakPolarHBondContact O-CB 3.38Å; Y632-L635 PolarHBondContact O-N 3.46Å; Y632-Y654 HydrophobicContact CD1-CE1 4.42Å; Y632-Y654 HydrophobicContact CD1-CE2 4.04Å; Y632-Y654 AromaticContact CD1-CZ 3.91Å; Y632-V658 HydrophobicContact CD1-CG2 3.88Å; Y632-V658 HydrophobicContact CD2-CG2 3.76Å; Y632-V658 HydrophobicContact CE1-CG2 3.83Å; Y632-V658 HydrophobicContact CE2-CB 4.4Å; Y632-V658 HydrophobicContact CE2-CG2 3.72Å; Y632-V658 HydrophobicContact CG-CG2 3.85Å; Y632-D661 HydrophobicContact CE2-CB 4.43Å; Y632-D661 WeakPolarHBondContact CE2-OD2 3.39Å; Y632-D661 VanDerWaalsContact CZ-OD2 3.26Å; Y632-D661 PolarHBondContact OH-OD2 3.43Å
633	P	89.4	Confident	88.9	Confident	19 Å²	19	39.4 Å²	39.4	12%	0.123	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.7	-166.5	-26.1	34.5	0	0	0	117.2	D209 A213 K478 L598 F600	D209-P633 HydrophobicContact CB-CB 4.4Å; D209-P633 WeakPolarHBondContact OD2-CD 3.46Å; A213-P633 HydrophobicContact CB-CG 4.24Å; K478-P633 HydrophobicContact CD-CG 4.45Å; L598-P633 HydrophobicContact CD1-CB 4.37Å; F600-P633 HydrophobicContact CE1-CB 3.99Å; F600-P633 HydrophobicContact CZ-CB 3.88Å; F600-P633 WeakPolarHBondContact CZ-O 3.37Å
634	L	90.6	Very high	88.8	Confident	23 Å²	23	38.2 Å²	38.2	12%	0.12	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	8.9	179.3	-176.9	50.4	0	0	0	112.6	D209 F600 T602 S604 Y632 T650	D209-L634 HydrophobicContact CB-CB 3.42Å; D209-L634 VanDerWaalsContact CB-CB 3.42Å; D209-L634 HydrophobicContact CB-CD2 4.03Å; D209-L634 HydrophobicContact CB-CG 4.39Å; D209-L634 PolarHBondContact OD2-N 2.95Å; F600-L634 HydrophobicContact CB-CD1 4.35Å; F600-L634 HydrophobicContact CB-CD2 3.95Å; F600-L634 HydrophobicContact CD1-CB 4.39Å; F600-L634 HydrophobicContact CD1-CD2 4.3Å; F600-L634 HydrophobicContact CD2-CD1 3.69Å; F600-L634 HydrophobicContact CD2-CG 4.45Å; F600-L634 HydrophobicContact CE1-CB 4.35Å; F600-L634 HydrophobicContact CE2-CB 4.44Å; F600-L634 HydrophobicContact CE2-CD1 4.14Å; F600-L634 HydrophobicContact CG-CB 4.46Å; F600-L634 HydrophobicContact CG-CD1 4.02Å; F600-L634 HydrophobicContact CG-CD2 4Å; F600-L634 HydrophobicContact CG-CG 4.39Å; F600-L634 HydrophobicContact CZ-CB 4.36Å; T602-L634 HydrophobicContact CG2-CD2 3.5Å; T602-L634 VanDerWaalsContact CG2-CD2 3.5Å; S604-L634 PolarHBondContact OG-O 2.94Å; Y632-L634 VanDerWaalsContact C-N 3.25Å; Y632-L634 PolarHBondContact O-N 3.39Å; L634-T650 HydrophobicContact CD2-CG2 3.59Å; L634-T650 HydrophobicContact CG-CG2 4.02Å
635	L	92.6	Very high	88.9	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.207	C	C	.	.			trans	-78.7	127.6	175.5	-168.3	77.1	0	0	0	109.9	V628 Y632 I647 Y654 L655 V658	V628-L635 HydrophobicContact CB-CD2 3.67Å; V628-L635 HydrophobicContact CG2-CD2 3.49Å; V628-L635 VanDerWaalsContact CG2-CD2 3.49Å; Y632-L635 WeakPolarHBondContact O-CB 3.38Å; Y632-L635 PolarHBondContact O-N 3.46Å; L635-I647 HydrophobicContact CD1-CG2 3.5Å; L635-I647 VanDerWaalsContact CD1-CG2 3.5Å; L635-I647 HydrophobicContact CG-CG2 4.15Å; L635-Y654 HydrophobicContact CB-CE1 4.36Å; L635-Y654 HydrophobicContact CD1-CD1 4.41Å; L635-Y654 HydrophobicContact CD1-CE1 3.76Å; L635-Y654 PolarHBondContact N-OH 3.43Å; L635-L655 HydrophobicContact CD1-CD2 4.32Å; L635-V658 HydrophobicContact CD1-CB 4.38Å; L635-V658 HydrophobicContact CD1-CG1 3.88Å; L635-V658 HydrophobicContact CD1-CG2 3.79Å; L635-V658 HydrophobicContact CD2-CG1 3.68Å; L635-V658 HydrophobicContact CD2-CG2 4.33Å; L635-V658 HydrophobicContact CG-CG1 4.47Å
636	S	90.4	Very high	88.8	Confident	34 Å²	34	39.1 Å²	39.1	24%	0.238	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.2	173.3	-166	0	0	0	0	110.5	Q579 L648	Q579-S636 PolarHBondContact NE2-OG 3.04Å; S636-L648 PolarHBondContact N-O 3.38Å; S636-L648 PolarHBondContact O-N 3.5Å
637	T	91.5	Very high	89.1	Confident	28 Å²	28	33.8 Å²	33.8	17%	0.172	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125	168.7	63.8	0	0	0	0	110.4	Q579 L625 N629 V646 I647	Q579-T637 PolarHBondContact NE2-O 3.43Å; Q579-T637 VanDerWaalsContact NE2-O 3.13Å; L625-T637 HydrophobicContact CB-CG2 4.17Å; L625-T637 HydrophobicContact CD2-CG2 4Å; N629-T637 PolarHBondContact ND2-OG1 3.03Å; N629-T637 VanDerWaalsContact OD1-CG2 3.24Å; N629-T637 WeakPolarHBondContact OD1-CG2 3.29Å; T637-V646 CarbonylContact C-O 3.55Å; T637-V646 VanDerWaalsContact CA-O 3.24Å; T637-V646 WeakPolarHBondContact CA-O 3.38Å; T637-I647 HydrophobicContact CG2-CG1 4.4Å
638	R	88.7	Confident	89.3	Confident	66 Å²	66	33.3 Å²	33.3	25%	0.249	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.6	172.1	66.7	-169.9	-165.1	-171	7.1	110.7	E640 V646 E800	R638-E640 HydrophobicContact CG-CG 4.38Å; R638-E640 IonicContact CZ-OE1 2.72Å; R638-E640 IonicContact NE-OE1 3.31Å; R638-E640 PolarHBondContact NE-OE1 2.81Å; R638-E640 IonicContact NH2-OE1 3.38Å; R638-E640 PolarHBondContact NH2-OE1 3.14Å; R638-V646 HydrophobicContact CG-CB 3.83Å; R638-V646 HydrophobicContact CG-CG1 3.89Å; R638-V646 PolarHBondContact N-O 3.15Å; R638-V646 PolarHBondContact O-N 2.66Å; R638-E800 IonicContact CZ-OE1 3.22Å; R638-E800 IonicContact NH1-OE2 2.65Å; R638-E800 IonicContact NH2-OE1 2.7Å; R638-E800 PolarHBondContact NH2-OE1 3.4Å; R638-E800 IonicContact NH2-OE2 2.7Å
639	V	90	Very high	89.4	Confident	94 Å²	94	33.3 Å²	33.3	57%	0.57	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.2	166	-164.7	0	0	0	0	105.4	H645	V639-H645 WeakPolarHBondContact CG2-ND1 3.22Å
640	E	85.3	Confident	89.5	Confident	17 Å²	17	32.8 Å²	32.8	8%	0.079	18%	0.182	C	C	.	.			trans	-90.4	167.3	176.9	-60.3	-166.4	165.6	0	0	110.6	K607 R638 S642 G643 E644 V646 K959	K607-E640 VanDerWaalsContact CE-OE1 3.31Å; K607-E640 WeakPolarHBondContact CE-OE1 3.49Å; K607-E640 IonicContact NZ-OE1 2.9Å; K607-E640 PolarHBondContact NZ-OE1 2.87Å; K607-E640 IonicContact NZ-OE2 2.6Å; K607-E640 PolarHBondContact NZ-OE2 2.89Å; R638-E640 HydrophobicContact CG-CG 4.38Å; R638-E640 IonicContact CZ-OE1 2.72Å; R638-E640 IonicContact NE-OE1 3.31Å; R638-E640 PolarHBondContact NE-OE1 2.81Å; R638-E640 IonicContact NH2-OE1 3.38Å; R638-E640 PolarHBondContact NH2-OE1 3.14Å; E640-S642 PolarHBondContact O-N 3.31Å; E640-G643 PolarHBondContact O-N 2.79Å; E640-E644 PolarHBondContact N-O 2.74Å; E640-V646 HydrophobicContact CG-CB 4.43Å; E640-V646 HydrophobicContact CG-CG2 3.88Å; E640-K959 WeakPolarHBondContact OE2-CG 2.96Å
641	E	80.1	Confident	89.8	Confident	151 Å²	151	29.5 Å²	29.5	71%	0.706	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.7	-174.6	-60.1	-159	158.2	0	0	113.2	G643	E641-G643 PolarHBondContact O-N 2.63Å
642	S	82.7	Confident	89.9	Confident	55 Å²	55	33.7 Å²	33.7	39%	0.385	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.7	171.3	53.6	0	0	0	0	114.5	E640 E644 R958	E640-S642 PolarHBondContact O-N 3.31Å; S642-E644 VanDerWaalsContact C-N 3.3Å; S642-R958 PolarHBondContact OG-O 2.85Å; S642-R958 VanDerWaalsContact OG-O 3.14Å
643	G	84.2	Confident	90	Very high	40 Å²	40	35.4 Å²	35.4	41%	0.412	20%	0.195	S	C	.	.			trans	86.8	-9.2	-171.8	0	0	0	0	0	114.2	E640 E641 H645	E640-G643 PolarHBondContact O-N 2.79Å; E641-G643 PolarHBondContact O-N 2.63Å; G643-H645 PolarHBondContact O-N 2.9Å
644	E	87.5	Confident	90.2	Very high	40 Å²	40	34.5 Å²	34.5	19%	0.187	19%	0.19	C	C	.	.			trans	-56.4	129.7	175.9	-78.8	-169.2	-168.1	0	0	111.2	A609 E640 S642 V646 R958	A609-E644 WeakPolarHBondContact CB-OE2 3.21Å; E640-E644 PolarHBondContact N-O 2.74Å; S642-E644 VanDerWaalsContact C-N 3.3Å; E644-V646 HydrophobicContact CB-CG2 4.33Å; E644-R958 WeakPolarHBondContact OE1-CG 3.44Å; E644-R958 IonicContact OE1-NE 2.76Å; E644-R958 IonicContact OE2-CZ 3.91Å; E644-R958 IonicContact OE2-NE 3.58Å; E644-R958 PolarHBondContact OE2-NE 3.39Å; E644-R958 IonicContact OE2-NH2 2.77Å; E644-R958 PolarHBondContact OE2-NH2 3.06Å
645	H	92.7	Very high	90.4	Very high	24 Å²	24	33.6 Å²	33.6	11%	0.111	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	123	167.6	-66.1	-56.3	0	0	0	110	A609 V610 M621 L625 V639 G643	A609-H645 CarbonylContact C-O 3.48Å; A609-H645 VanDerWaalsContact CA-O 3.31Å; A609-H645 WeakPolarHBondContact CA-O 3.41Å; V610-H645 HydrophobicContact CG2-CB 3.96Å; V610-H645 PolarHBondContact N-O 2.86Å; V610-H645 WeakPolarHBondContact O-CB 3.36Å; M621-H645 HydrophobicContact CE-CB 3.96Å; M621-H645 VanDerWaalsContact CE-CD2 3.42Å; M621-H645 WeakPolarHBondContact CE-CD2 3.28Å; L625-H645 HydrophobicContact CD1-CB 4.13Å; V639-H645 WeakPolarHBondContact CG2-ND1 3.22Å; G643-H645 PolarHBondContact O-N 2.9Å
646	V	92.5	Very high	90.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.1	-171.6	167.7	0	0	0	0	110.5	K607 I608 T637 R638 E640 E644 L648	K607-V646 HydrophobicContact CD-CG1 3.97Å; K607-V646 HydrophobicContact CG-CG1 3.43Å; K607-V646 VanDerWaalsContact CG-CG1 3.43Å; I608-V646 CarbonylContact O-C 3.48Å; I608-V646 VanDerWaalsContact O-CA 3.32Å; I608-V646 WeakPolarHBondContact O-CA 3.49Å; T637-V646 CarbonylContact C-O 3.55Å; T637-V646 VanDerWaalsContact CA-O 3.24Å; T637-V646 WeakPolarHBondContact CA-O 3.38Å; R638-V646 HydrophobicContact CG-CB 3.83Å; R638-V646 HydrophobicContact CG-CG1 3.89Å; R638-V646 PolarHBondContact N-O 3.15Å; R638-V646 PolarHBondContact O-N 2.66Å; E640-V646 HydrophobicContact CG-CB 4.43Å; E640-V646 HydrophobicContact CG-CG2 3.88Å; E644-V646 HydrophobicContact CB-CG2 4.33Å; V646-L648 HydrophobicContact CG1-CD2 4.37Å; V646-L648 HydrophobicContact CG1-CG 4.49Å
647	I	95.1	Very high	90.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.9	174	-49.3	-175	0	0	0	108.9	K607 I608 V610 L625 L635 T637 L655 V658 L659	K607-I647 WeakPolarHBondContact CA-O 3.11Å; I608-I647 PolarHBondContact N-O 2.89Å; I608-I647 PolarHBondContact O-N 3.2Å; V610-I647 HydrophobicContact CB-CD1 4.49Å; V610-I647 HydrophobicContact CG1-CD1 3.65Å; V610-I647 HydrophobicContact CG1-CG1 4.07Å; V610-I647 HydrophobicContact CG2-CD1 4Å; V610-I647 HydrophobicContact CG2-CG1 3.97Å; L625-I647 HydrophobicContact CD2-CD1 3.69Å; L625-I647 HydrophobicContact CD2-CG1 4.05Å; L635-I647 HydrophobicContact CD1-CG2 3.5Å; L635-I647 VanDerWaalsContact CD1-CG2 3.5Å; L635-I647 HydrophobicContact CG-CG2 4.15Å; T637-I647 HydrophobicContact CG2-CG1 4.4Å; I647-L655 HydrophobicContact CB-CD2 4.38Å; I647-L655 HydrophobicContact CG2-CD2 3.62Å; I647-V658 HydrophobicContact CG2-CG1 4.47Å; I647-L659 HydrophobicContact CD1-CD2 4.17Å
648	L	94.1	Very high	90.7	Very high	18 Å²	18	34.1 Å²	34.1	9%	0.094	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.6	172.4	-61.9	172.9	0	0	0	110.4	I606 K607 S636 V646	I606-L648 CarbonylContact O-C 3.59Å; I606-L648 VanDerWaalsContact O-CA 3.32Å; I606-L648 WeakPolarHBondContact O-CA 3.49Å; K607-L648 HydrophobicContact CB-CD2 3.74Å; K607-L648 HydrophobicContact CG-CD2 3.93Å; S636-L648 PolarHBondContact N-O 3.38Å; S636-L648 PolarHBondContact O-N 3.5Å; V646-L648 HydrophobicContact CG1-CD2 4.37Å; V646-L648 HydrophobicContact CG1-CG 4.49Å
649	G	94	Very high	91	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	172.3	-179.3	0	0	0	0	0	114.5	S604 V605 I606	S604-G649 CarbonylContact C-O 3.53Å; S604-G649 WeakPolarHBondContact CA-O 3.2Å; S604-G649 WeakPolarHBondContact OG-CA 3.45Å; V605-G649 PolarHBondContact N-O 3.32Å; I606-G649 PolarHBondContact N-O 2.89Å; I606-G649 PolarHBondContact O-N 3.43Å
650	T	93.1	Very high	91.1	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.162	C	C	.	.	S	Bend	trans	-84.9	-20.7	-169.3	59.3	0	0	0	0	115.4	N206 T602 L634 Y654 Y850	N206-T650 WeakPolarHBondContact CA-OG1 3.26Å; N206-T650 WeakPolarHBondContact CB-OG1 3.3Å; N206-T650 PolarHBondContact O-OG1 2.9Å; T602-T650 HydrophobicContact CG2-CG2 3.72Å; L634-T650 HydrophobicContact CD2-CG2 3.59Å; L634-T650 HydrophobicContact CG-CG2 4.02Å; T650-Y654 HydrophobicContact CG2-CE2 4.46Å; T650-Y654 WeakPolarHBondContact OG1-CB 3.34Å; T650-Y654 VanDerWaalsContact OG1-CD2 3.29Å; T650-Y654 WeakPolarHBondContact OG1-CD2 3.11Å; T650-Y654 VanDerWaalsContact OG1-CG 3.28Å; T650-Y850 PolarHBondContact O-OH 3.24Å
651	G	91.5	Very high	91.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	179	166.2	-170.6	0	0	0	0	0	112.5	N206 I606 L653 Y654 L655	N206-G651 WeakPolarHBondContact ND2-CA 3.49Å; I606-G651 VanDerWaalsContact CD1-CA 3.44Å; G651-L653 PolarHBondContact O-N 3.3Å; G651-Y654 VanDerWaalsContact O-CB 3.3Å; G651-Y654 WeakPolarHBondContact O-CB 3.45Å; G651-Y654 PolarHBondContact O-N 2.85Å; G651-L655 PolarHBondContact O-N 3.07Å
652	E	91.2	Very high	91.9	Very high	93 Å²	93	22.5 Å²	22.5	44%	0.435	13%	0.127	S	C	.	.	H	α-helix	trans	-54.8	-53.8	-176.6	-169.6	172.7	150.1	0	0	112.2	Y654 L655 D656 G900	E652-Y654 PolarHBondContact O-N 3.32Å; E652-Y654 VanDerWaalsContact O-N 3.13Å; E652-L655 PolarHBondContact O-N 2.84Å; E652-D656 WeakPolarHBondContact O-CB 3.47Å; E652-D656 PolarHBondContact O-N 2.83Å; E652-G900 PolarHBondContact OE2-N 2.75Å
653	L	92.4	Very high	92.4	Very high	36 Å²	36	23.7 Å²	23.7	19%	0.188	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-28.9	177	-170.6	72.1	0	0	0	113.7	H204 F207 G651 C657	H204-L653 HydrophobicContact CB-CD2 4.49Å; F207-L653 HydrophobicContact CE2-CD2 3.9Å; F207-L653 HydrophobicContact CE2-CG 4.23Å; F207-L653 HydrophobicContact CZ-CD2 4.45Å; F207-L653 HydrophobicContact CZ-CG 4.28Å; G651-L653 PolarHBondContact O-N 3.3Å; L653-C657 PolarHBondContact O-N 3.29Å; L653-C657 PolarHBondContact O-SG 3.02Å
654	Y	94.6	Very high	92.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.9	-51.4	-180	-170.7	-93.3	0	0	0	110.6	N206 F207 D209 Y632 L635 T650 G651 E652 D656 C657 V658	N206-Y654 VanDerWaalsContact O-CD2 3.29Å; N206-Y654 WeakPolarHBondContact O-CD2 3.42Å; F207-Y654 AromaticContact CD1-CD2 3.38Å; F207-Y654 HydrophobicContact CD1-CD2 3.38Å; F207-Y654 AromaticContact CD1-CE2 3.83Å; F207-Y654 HydrophobicContact CD1-CE2 3.83Å; F207-Y654 HydrophobicContact CD1-CG 4.42Å; F207-Y654 AromaticContact CE1-CD2 3.47Å; F207-Y654 HydrophobicContact CE1-CD2 3.47Å; F207-Y654 VanDerWaalsContact CE1-CD2 3.47Å; F207-Y654 HydrophobicContact CE1-CE2 4.22Å; F207-Y654 HydrophobicContact CE1-CG 4.1Å; F207-Y654 HydrophobicContact CG-CD2 4.45Å; D209-Y654 WeakPolarHBondContact OD2-CE2 3.46Å; D209-Y654 PolarHBondContact OD2-OH 3.07Å; Y632-Y654 HydrophobicContact CD1-CE1 4.42Å; Y632-Y654 HydrophobicContact CD1-CE2 4.04Å; Y632-Y654 AromaticContact CD1-CZ 3.91Å; L635-Y654 HydrophobicContact CB-CE1 4.36Å; L635-Y654 HydrophobicContact CD1-CD1 4.41Å; L635-Y654 HydrophobicContact CD1-CE1 3.76Å; L635-Y654 PolarHBondContact N-OH 3.43Å; T650-Y654 HydrophobicContact CG2-CE2 4.46Å; T650-Y654 WeakPolarHBondContact OG1-CB 3.34Å; T650-Y654 VanDerWaalsContact OG1-CD2 3.29Å; T650-Y654 WeakPolarHBondContact OG1-CD2 3.11Å; T650-Y654 VanDerWaalsContact OG1-CG 3.28Å; G651-Y654 VanDerWaalsContact O-CB 3.3Å; G651-Y654 WeakPolarHBondContact O-CB 3.45Å; G651-Y654 PolarHBondContact O-N 2.85Å; E652-Y654 PolarHBondContact O-N 3.32Å; E652-Y654 VanDerWaalsContact O-N 3.13Å; Y654-D656 VanDerWaalsContact C-N 3.33Å; Y654-D656 PolarHBondContact O-N 3.32Å; Y654-C657 PolarHBondContact O-N 3.18Å; Y654-V658 HydrophobicContact CD1-CG2 4.04Å; Y654-V658 HydrophobicContact CE1-CG2 4.1Å; Y654-V658 VanDerWaalsContact O-CG2 3.22Å; Y654-V658 WeakPolarHBondContact O-CG2 3.34Å; Y654-V658 PolarHBondContact O-N 3.41Å
655	L	94.6	Very high	92.4	Very high	4 Å²	4	28 Å²	28	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-69.9	-31.9	-177.8	-72.8	168.8	0	0	0	112	I606 I608 L635 I647 G651 E652 V658 L659	I606-L655 HydrophobicContact CB-CD1 3.65Å; I606-L655 HydrophobicContact CG2-CD1 3.43Å; I606-L655 VanDerWaalsContact CG2-CD1 3.43Å; I608-L655 HydrophobicContact CD1-CB 3.86Å; I608-L655 HydrophobicContact CD1-CD1 3.73Å; I608-L655 HydrophobicContact CD1-CG 4.27Å; I608-L655 HydrophobicContact CG1-CD1 4.07Å; L635-L655 HydrophobicContact CD1-CD2 4.32Å; I647-L655 HydrophobicContact CB-CD2 4.38Å; I647-L655 HydrophobicContact CG2-CD2 3.62Å; G651-L655 PolarHBondContact O-N 3.07Å; E652-L655 PolarHBondContact O-N 2.84Å; L655-V658 PolarHBondContact O-N 3.39Å; L655-L659 VanDerWaalsContact O-CB 3.27Å; L655-L659 WeakPolarHBondContact O-CB 3.36Å; L655-L659 WeakPolarHBondContact O-CG 3.43Å; L655-L659 PolarHBondContact O-N 3.13Å
656	D	93.9	Very high	92.2	Very high	74 Å²	74	27.4 Å²	27.4	40%	0.396	13%	0.13	S	C	.	.	H	α-helix	trans	-63.6	-44.8	172.1	-178.5	24.8	0	0	0	112	R173 E652 Y654 L659 H660	R173-D656 IonicContact CZ-OD2 3.6Å; R173-D656 IonicContact NH1-OD2 2.76Å; R173-D656 PolarHBondContact NH1-OD2 2.87Å; R173-D656 IonicContact NH2-OD1 3.81Å; R173-D656 PolarHBondContact NH2-OD1 2.85Å; R173-D656 IonicContact NH2-OD2 3.62Å; R173-D656 PolarHBondContact NH2-OD2 2.88Å; E652-D656 WeakPolarHBondContact O-CB 3.47Å; E652-D656 PolarHBondContact O-N 2.83Å; Y654-D656 VanDerWaalsContact C-N 3.33Å; Y654-D656 PolarHBondContact O-N 3.32Å; D656-L659 PolarHBondContact O-N 3.21Å; D656-H660 WeakPolarHBondContact O-CB 3.28Å; D656-H660 PolarHBondContact O-N 3.08Å
657	C	93.5	Very high	91.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-42.3	172.1	-67.8	0	0	0	0	112.7	I177 F207 L653 Y654 H660 D661	I177-C657 HydrophobicContact CD1-CB 4.24Å; I177-C657 WeakPolarHBondContact CD1-SG 3.36Å; I177-C657 HydrophobicContact CG2-CB 4.44Å; F207-C657 HydrophobicContact CZ-CB 4.28Å; L653-C657 PolarHBondContact O-N 3.29Å; L653-C657 PolarHBondContact O-SG 3.02Å; Y654-C657 PolarHBondContact O-N 3.18Å; C657-H660 WeakPolarHBondContact O-CB 3.22Å; C657-H660 PolarHBondContact O-N 3.44Å; C657-D661 PolarHBondContact O-N 2.96Å
658	V	93.8	Very high	91.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-46.9	176.2	171.1	0	0	0	0	111.1	V628 Y632 L635 I647 Y654 L655 H660 D661 V662	V628-V658 HydrophobicContact CB-CG1 4.15Å; V628-V658 HydrophobicContact CG1-CG1 4.29Å; V628-V658 HydrophobicContact CG2-CG1 4.11Å; Y632-V658 HydrophobicContact CD1-CG2 3.88Å; Y632-V658 HydrophobicContact CD2-CG2 3.76Å; Y632-V658 HydrophobicContact CE1-CG2 3.83Å; Y632-V658 HydrophobicContact CE2-CB 4.4Å; Y632-V658 HydrophobicContact CE2-CG2 3.72Å; Y632-V658 HydrophobicContact CG-CG2 3.85Å; L635-V658 HydrophobicContact CD1-CB 4.38Å; L635-V658 HydrophobicContact CD1-CG1 3.88Å; L635-V658 HydrophobicContact CD1-CG2 3.79Å; L635-V658 HydrophobicContact CD2-CG1 3.68Å; L635-V658 HydrophobicContact CD2-CG2 4.33Å; L635-V658 HydrophobicContact CG-CG1 4.47Å; I647-V658 HydrophobicContact CG2-CG1 4.47Å; Y654-V658 HydrophobicContact CD1-CG2 4.04Å; Y654-V658 HydrophobicContact CE1-CG2 4.1Å; Y654-V658 VanDerWaalsContact O-CG2 3.22Å; Y654-V658 WeakPolarHBondContact O-CG2 3.34Å; Y654-V658 PolarHBondContact O-N 3.41Å; L655-V658 PolarHBondContact O-N 3.39Å; V658-H660 VanDerWaalsContact C-N 3.32Å; V658-H660 PolarHBondContact O-N 2.8Å; V658-D661 PolarHBondContact O-N 3.14Å; V658-D661 VanDerWaalsContact O-N 3.15Å; V658-V662 HydrophobicContact CG1-CG2 4.48Å; V658-V662 WeakPolarHBondContact O-CG2 3.44Å; V658-V662 PolarHBondContact O-N 2.93Å
659	L	93.7	Very high	91.1	Very high	13 Å²	13	35 Å²	35	7%	0.068	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-36	179.1	-74.7	169.8	0	0	0	111.8	I608 V610 I647 L655 D656 R663 V673	I608-L659 HydrophobicContact CD1-CD1 4.15Å; V610-L659 HydrophobicContact CG1-CD2 3.84Å; I647-L659 HydrophobicContact CD1-CD2 4.17Å; L655-L659 VanDerWaalsContact O-CB 3.27Å; L655-L659 WeakPolarHBondContact O-CB 3.36Å; L655-L659 WeakPolarHBondContact O-CG 3.43Å; L655-L659 PolarHBondContact O-N 3.13Å; D656-L659 PolarHBondContact O-N 3.21Å; L659-R663 VanDerWaalsContact O-CB 3.26Å; L659-R663 WeakPolarHBondContact O-CB 3.25Å; L659-R663 WeakPolarHBondContact O-CD 3.42Å; L659-R663 WeakPolarHBondContact O-CG 3.48Å; L659-R663 PolarHBondContact O-N 2.99Å; L659-V673 HydrophobicContact CD1-CG1 4.14Å; L659-V673 HydrophobicContact CD1-CG2 4.07Å; L659-V673 HydrophobicContact CD2-CG2 3.77Å
660	H	92.5	Very high	91	Very high	61 Å²	61	40.3 Å²	40.3	28%	0.282	20%	0.195	S	C	.	.	H	α-helix	trans	-59.9	-50.1	169.5	-178.2	100.9	0	0	0	110.9	T169 D656 C657 V658 V662 R663 K664	T169-H660 WeakPolarHBondContact CG2-CD2 3.43Å; T169-H660 VanDerWaalsContact CG2-NE2 3.32Å; T169-H660 WeakPolarHBondContact CG2-NE2 3.47Å; D656-H660 WeakPolarHBondContact O-CB 3.28Å; D656-H660 PolarHBondContact O-N 3.08Å; C657-H660 WeakPolarHBondContact O-CB 3.22Å; C657-H660 PolarHBondContact O-N 3.44Å; V658-H660 VanDerWaalsContact C-N 3.32Å; V658-H660 PolarHBondContact O-N 2.8Å; H660-V662 PolarHBondContact O-N 3.4Å; H660-R663 PolarHBondContact O-N 2.86Å; H660-K664 WeakPolarHBondContact O-CB 3.36Å; H660-K664 PolarHBondContact O-N 3.29Å
661	D	91.5	Very high	91	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.043	20%	0.196	C	C	.	.	I	π-helix	trans	-62.7	-41.8	-178.5	-69.6	-9.2	0	0	0	112.1	V628 Y632 C657 V658 V665 F666	V628-D661 HydrophobicContact CG1-CB 4.04Å; Y632-D661 HydrophobicContact CE2-CB 4.43Å; Y632-D661 WeakPolarHBondContact CE2-OD2 3.39Å; Y632-D661 VanDerWaalsContact CZ-OD2 3.26Å; Y632-D661 PolarHBondContact OH-OD2 3.43Å; C657-D661 PolarHBondContact O-N 2.96Å; V658-D661 PolarHBondContact O-N 3.14Å; V658-D661 VanDerWaalsContact O-N 3.15Å; D661-V665 HydrophobicContact CB-CG2 4.5Å; D661-V665 WeakPolarHBondContact O-CA 3.47Å; D661-V665 VanDerWaalsContact O-CB 3.32Å; D661-V665 WeakPolarHBondContact O-CB 3.49Å; D661-V665 PolarHBondContact O-N 3.03Å; D661-F666 HydrophobicContact CB-CD2 4.05Å; D661-F666 HydrophobicContact CB-CE2 3.94Å; D661-F666 WeakPolarHBondContact O-CD2 3.46Å; D661-F666 PolarHBondContact O-N 2.97Å
662	V	91.7	Very high	91.1	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	22%	0.219	C	C	.	.	I	π-helix	trans	-59.4	-55.4	173	-175.1	0	0	0	0	110.2	L625 V628 V658 H660 S667 I671	L625-V662 HydrophobicContact CD2-CG2 4.3Å; V628-V662 HydrophobicContact CB-CG2 4.21Å; V628-V662 HydrophobicContact CG1-CG2 3.52Å; V628-V662 HydrophobicContact CG2-CG2 3.63Å; V658-V662 HydrophobicContact CG1-CG2 4.48Å; V658-V662 WeakPolarHBondContact O-CG2 3.44Å; V658-V662 PolarHBondContact O-N 2.93Å; H660-V662 PolarHBondContact O-N 3.4Å; V662-S667 PolarHBondContact O-N 3.19Å; V662-S667 VanDerWaalsContact O-N 3.13Å; V662-S667 PolarHBondContact O-OG 2.96Å; V662-I671 HydrophobicContact CB-CD1 4.26Å; V662-I671 HydrophobicContact CG1-CD1 3.39Å
663	R	91.4	Very high	91.2	Very high	81 Å²	81	44 Å²	44	31%	0.306	21%	0.214	S	C	.	.	I	π-helix	trans	-67.6	-36	-172.4	-73	169	166.9	167.9	-10.4	114.1	L659 H660 E668 I671	L659-R663 VanDerWaalsContact O-CB 3.26Å; L659-R663 WeakPolarHBondContact O-CB 3.25Å; L659-R663 WeakPolarHBondContact O-CD 3.42Å; L659-R663 WeakPolarHBondContact O-CG 3.48Å; L659-R663 PolarHBondContact O-N 2.99Å; H660-R663 PolarHBondContact O-N 2.86Å; R663-E668 VanDerWaalsContact O-CA 3.3Å; R663-E668 WeakPolarHBondContact O-CA 3.42Å; R663-E668 PolarHBondContact O-N 2.86Å; R663-I671 HydrophobicContact CG-CB 4.17Å; R663-I671 HydrophobicContact CG-CD1 4.05Å; R663-I671 HydrophobicContact CG-CG1 4.25Å; R663-I671 PolarHBondContact NH2-O 2.83Å
664	K	88	Confident	91.2	Very high	130 Å²	130	44.3 Å²	44.3	57%	0.565	22%	0.222	S	C	*	.	I	π-helix	trans	-117.8	-19.5	-168.6	-63.3	-56.8	-176.1	-166.1	0	115.6	H660	H660-K664 WeakPolarHBondContact O-CB 3.36Å; H660-K664 PolarHBondContact O-N 3.29Å
665	V	85.3	Confident	91.1	Very high	41 Å²	41	51 Å²	51	25%	0.248	26%	0.257	C	S	.	.	I	π-helix	trans	-109.3	-37.1	-176.1	-176.8	0	0	0	0	111.9	T485 D661	T485-V665 WeakPolarHBondContact CB-O 3.31Å; T485-V665 HydrophobicContact CG2-CG1 3.66Å; T485-V665 WeakPolarHBondContact CG2-O 3.31Å; T485-V665 PolarHBondContact OG1-O 3.16Å; T485-V665 VanDerWaalsContact OG1-O 3.1Å; D661-V665 HydrophobicContact CB-CG2 4.5Å; D661-V665 WeakPolarHBondContact O-CA 3.47Å; D661-V665 VanDerWaalsContact O-CB 3.32Å; D661-V665 WeakPolarHBondContact O-CB 3.49Å; D661-V665 PolarHBondContact O-N 3.03Å
666	F	87.3	Confident	91.1	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.044	27%	0.27	C	S	.	.	I	π-helix	trans	-113.5	-26.9	-166.1	-69.7	-51.3	0	0	0	117.1	T481 F488 K627 V628 D661	T481-F666 HydrophobicContact CG2-CE1 3.57Å; T481-F666 HydrophobicContact CG2-CZ 4.13Å; T481-F666 WeakPolarHBondContact OG1-CZ 3.3Å; F488-F666 HydrophobicContact CE1-CE1 4.22Å; F488-F666 HydrophobicContact CE1-CZ 4.1Å; F488-F666 HydrophobicContact CE2-CE1 4.25Å; F488-F666 HydrophobicContact CZ-CD1 4.43Å; F488-F666 AromaticContact CZ-CE1 3.5Å; F488-F666 HydrophobicContact CZ-CE1 3.5Å; F488-F666 AromaticContact CZ-CZ 3.68Å; F488-F666 HydrophobicContact CZ-CZ 3.68Å; K627-F666 HydrophobicContact CB-CB 4.16Å; K627-F666 HydrophobicContact CB-CD1 3.76Å; K627-F666 HydrophobicContact CB-CD2 4.08Å; K627-F666 HydrophobicContact CB-CE1 4.04Å; K627-F666 HydrophobicContact CB-CE2 4.36Å; K627-F666 HydrophobicContact CB-CG 3.75Å; K627-F666 HydrophobicContact CB-CZ 4.33Å; K627-F666 HydrophobicContact CD-CB 3.9Å; K627-F666 HydrophobicContact CD-CD1 3.56Å; K627-F666 HydrophobicContact CD-CE1 4.31Å; K627-F666 HydrophobicContact CD-CG 3.96Å; K627-F666 HydrophobicContact CG-CD1 4.26Å; K627-F666 PolarHBondContact NZ-O 3.34Å; V628-F666 HydrophobicContact CG1-CD2 3.6Å; V628-F666 HydrophobicContact CG1-CE2 3.67Å; D661-F666 HydrophobicContact CB-CD2 4.05Å; D661-F666 HydrophobicContact CB-CE2 3.94Å; D661-F666 WeakPolarHBondContact O-CD2 3.46Å; D661-F666 PolarHBondContact O-N 2.97Å
667	S	82.6	Confident	91	Very high	13 Å²	13	51.4 Å²	51.4	9%	0.091	26%	0.263	C	S	.	.	S	Bend	trans	-133.2	-18.1	-175	64	0	0	0	0	115.5	K620 V662 I669	K620-S667 WeakPolarHBondContact O-CB 3.35Å; V662-S667 PolarHBondContact O-N 3.19Å; V662-S667 VanDerWaalsContact O-N 3.13Å; V662-S667 PolarHBondContact O-OG 2.96Å; S667-I669 WeakPolarHBondContact O-CG2 3.31Å; S667-I669 PolarHBondContact O-N 3.21Å; S667-I669 WeakPolarHBondContact OG-CG1 3.32Å
668	E	86.7	Confident	91	Very high	163 Å²	163	51.5 Å²	51.5	76%	0.762	26%	0.264	S	S	*	.			trans	52.4	36.3	175.6	-60.2	-172.5	151.6	0	0	114.4	R663	R663-E668 VanDerWaalsContact O-CA 3.3Å; R663-E668 WeakPolarHBondContact O-CA 3.42Å; R663-E668 PolarHBondContact O-N 2.86Å
669	I	89.4	Confident	91	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.021	27%	0.269	C	S	.	.			trans	-119.6	154.7	179.3	53.5	163.4	0	0	0	111.9	P612 E617 K620 M621 S667 I671	P612-I669 HydrophobicContact CB-CD1 4.39Å; E617-I669 HydrophobicContact CB-CG2 4.08Å; E617-I669 HydrophobicContact CG-CG2 4.46Å; E617-I669 WeakPolarHBondContact OE2-CG2 3.41Å; K620-I669 HydrophobicContact CB-CG2 4.34Å; K620-I669 HydrophobicContact CD-CG2 3.78Å; M621-I669 HydrophobicContact CB-CD1 3.54Å; M621-I669 HydrophobicContact CG-CD1 3.98Å; S667-I669 WeakPolarHBondContact O-CG2 3.31Å; S667-I669 PolarHBondContact O-N 3.21Å; S667-I669 WeakPolarHBondContact OG-CG1 3.32Å; I669-I671 HydrophobicContact CD1-CD1 3.99Å; I669-I671 HydrophobicContact CD1-CG1 3.8Å; I669-I671 HydrophobicContact CG1-CD1 4.07Å; I669-I671 HydrophobicContact CG1-CG1 3.9Å
670	D	91.4	Very high	91	Very high	112 Å²	112	51.8 Å²	51.8	60%	0.599	27%	0.267	S	S	*	.			trans	-80.2	127.6	168.3	-69	-43.4	0	0	0	110.5	V613	V613-D670 HydrophobicContact CB-CB 4.17Å; V613-D670 HydrophobicContact CG2-CB 3.73Å; V613-D670 WeakPolarHBondContact CG2-O 3.37Å; V613-D670 PolarHBondContact N-O 3.01Å
671	I	93.5	Very high	91.1	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.046	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121	-174.3	-64.4	176.5	0	0	0	108.7	V610 E611 M621 V662 R663 I669 V673	V610-I671 HydrophobicContact CB-CG2 3.83Å; V610-I671 HydrophobicContact CG1-CG2 4.27Å; E611-I671 CarbonylContact O-C 3.58Å; E611-I671 WeakPolarHBondContact O-CA 3.39Å; E611-I671 WeakPolarHBondContact O-CG2 3.49Å; M621-I671 HydrophobicContact CG-CD1 4Å; M621-I671 HydrophobicContact CG-CG1 4.5Å; M621-I671 HydrophobicContact SD-CD1 4.28Å; M621-I671 HydrophobicContact SD-CG1 4.33Å; M621-I671 HydrophobicContact SD-CG2 4.3Å; V662-I671 HydrophobicContact CB-CD1 4.26Å; V662-I671 HydrophobicContact CG1-CD1 3.39Å; R663-I671 HydrophobicContact CG-CB 4.17Å; R663-I671 HydrophobicContact CG-CD1 4.05Å; R663-I671 HydrophobicContact CG-CG1 4.25Å; R663-I671 PolarHBondContact NH2-O 2.83Å; I669-I671 HydrophobicContact CD1-CD1 3.99Å; I669-I671 HydrophobicContact CD1-CG1 3.8Å; I669-I671 HydrophobicContact CG1-CD1 4.07Å; I669-I671 HydrophobicContact CG1-CG1 3.9Å; I671-V673 HydrophobicContact CG2-CG2 4.19Å
672	K	93.6	Very high	91.4	Very high	111 Å²	111	48.8 Å²	48.8	48%	0.483	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	130.5	165.6	-64.4	172.7	177.9	161.7	0	108.1	V610 E611 V613	V610-K672 WeakPolarHBondContact CA-O 3.31Å; E611-K672 HydrophobicContact CB-CB 4.46Å; E611-K672 PolarHBondContact N-O 3Å; E611-K672 PolarHBondContact O-N 3.4Å; V613-K672 HydrophobicContact CG2-CG 3.8Å
673	V	94.2	Very high	91.6	Very high	54 Å²	54	49 Å²	49	33%	0.327	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.6	-179.4	166.5	0	0	0	0	106.8	I608 V610 L659 I671	I608-V673 HydrophobicContact CG2-CG1 3.67Å; V610-V673 HydrophobicContact CG1-CG2 4.22Å; L659-V673 HydrophobicContact CD1-CG1 4.14Å; L659-V673 HydrophobicContact CD1-CG2 4.07Å; L659-V673 HydrophobicContact CD2-CG2 3.77Å; I671-V673 HydrophobicContact CG2-CG2 4.19Å
674	A	92.5	Very high	91.7	Very high	42 Å²	42	45.2 Å²	45.2	35%	0.347	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-74.5	160.2	173.3	0	0	0	0	0	110.8	A609	A609-A674 HydrophobicContact CB-CB 3.92Å; A609-A674 PolarHBondContact O-N 2.93Å
675	D	92	Very high	92	Very high	140 Å²	140	41.6 Å²	41.6	75%	0.749	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-53.1	137.9	174.6	-71.3	-28.5	0	0	0	111.2	V677	D675-V677 PolarHBondContact O-N 2.89Å
676	P	93.7	Very high	92.3	Very high	44 Å²	44	44.2 Å²	44.2	29%	0.286	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-64.8	136.4	177.1	29.2	-34.9	0	0	0	109.7	I606 I608 F899	I606-P676 HydrophobicContact CG2-CB 3.88Å; I608-P676 HydrophobicContact CD1-CB 4.34Å; I608-P676 HydrophobicContact CG1-CB 3.93Å; P676-F899 HydrophobicContact CB-CD1 4.09Å; P676-F899 HydrophobicContact CB-CD2 4.5Å; P676-F899 HydrophobicContact CB-CE1 3.73Å; P676-F899 HydrophobicContact CB-CE2 4.15Å; P676-F899 HydrophobicContact CB-CG 4.48Å; P676-F899 HydrophobicContact CB-CZ 3.76Å; P676-F899 HydrophobicContact CG-CD1 3.89Å; P676-F899 HydrophobicContact CG-CD2 3.99Å; P676-F899 HydrophobicContact CG-CE1 4.03Å; P676-F899 HydrophobicContact CG-CE2 4.11Å; P676-F899 HydrophobicContact CG-CG 3.88Å; P676-F899 HydrophobicContact CG-CZ 4.14Å; P676-F899 WeakPolarHBondContact O-CE2 3.18Å; P676-F899 WeakPolarHBondContact O-CZ 3.32Å
677	V	92.9	Very high	92.6	Very high	42 Å²	42	47.1 Å²	47.1	26%	0.255	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-174	170.1	-54.8	0	0	0	0	108.8	I606 K607 D675 I896 R958	I606-V677 WeakPolarHBondContact CA-O 3.24Å; K607-V677 HydrophobicContact CB-CG2 3.83Å; K607-V677 HydrophobicContact CD-CG2 3.87Å; K607-V677 HydrophobicContact CG-CG2 4.05Å; K607-V677 PolarHBondContact N-O 2.76Å; K607-V677 PolarHBondContact O-N 2.89Å; D675-V677 PolarHBondContact O-N 2.89Å; V677-I896 HydrophobicContact CB-CD1 4.34Å; V677-R958 VanDerWaalsContact CG2-NH1 3.35Å
678	V	94.2	Very high	92.8	Very high	3 Å²	3	47 Å²	47	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.6	174.6	-62.4	0	0	0	0	110.7	V605 F680 P848 A895 I896 F899	V605-V678 HydrophobicContact CG1-CB 4.49Å; V605-V678 CarbonylContact O-C 3.57Å; V605-V678 WeakPolarHBondContact O-CA 3.11Å; V678-F680 HydrophobicContact CG2-CD1 4.11Å; V678-F680 HydrophobicContact CG2-CE1 3.64Å; V678-F680 HydrophobicContact CG2-CE2 4.12Å; V678-F680 HydrophobicContact CG2-CZ 3.65Å; V678-P848 HydrophobicContact CB-CG 3.88Å; V678-P848 HydrophobicContact CG1-CG 4.26Å; V678-P848 HydrophobicContact CG2-CG 4.13Å; V678-A895 HydrophobicContact CG1-CB 3.8Å; V678-I896 HydrophobicContact CG1-CB 4.25Å; V678-I896 HydrophobicContact CG1-CD1 4.31Å; V678-I896 HydrophobicContact CG2-CB 4.25Å; V678-I896 HydrophobicContact CG2-CD1 4.1Å; V678-F899 HydrophobicContact CG1-CZ 4.17Å
679	A	92	Very high	92.6	Very high	12 Å²	12	43.5 Å²	43.5	10%	0.099	26%	0.256	C	S	.	.			trans	-68.9	127.9	159.5	0	0	0	0	0	108.3	V605 W922	V605-A679 PolarHBondContact O-N 2.96Å; A679-W922 VanDerWaalsContact O-CH2 3.3Å; A679-W922 WeakPolarHBondContact O-CH2 3.39Å; A679-W922 VanDerWaalsContact O-CZ3 3.27Å; A679-W922 WeakPolarHBondContact O-CZ3 3.28Å
680	F	94.9	Very high	92.2	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.026	26%	0.264	C	S	.	.			trans	-90.9	173.9	174	-65.4	-77.3	0	0	0	110.3	V678 E800 E847 F951	V678-F680 HydrophobicContact CG2-CD1 4.11Å; V678-F680 HydrophobicContact CG2-CE1 3.64Å; V678-F680 HydrophobicContact CG2-CE2 4.12Å; V678-F680 HydrophobicContact CG2-CZ 3.65Å; F680-E800 HydrophobicContact CB-CG 4.47Å; F680-E800 WeakPolarHBondContact O-CB 3.17Å; F680-E847 HydrophobicContact CD1-CB 4.37Å; F680-E847 HydrophobicContact CE1-CB 4.24Å; F680-F951 HydrophobicContact CE1-CB 4.15Å; F680-F951 AromaticContact CE1-CD2 3.55Å; F680-F951 HydrophobicContact CE1-CD2 3.55Å; F680-F951 HydrophobicContact CE1-CE2 4.14Å; F680-F951 AromaticContact CE1-CG 4Å; F680-F951 HydrophobicContact CE1-CG 4Å; F680-F951 HydrophobicContact CE2-CB 4.16Å; F680-F951 HydrophobicContact CZ-CB 3.73Å; F680-F951 HydrophobicContact CZ-CD1 4.28Å; F680-F951 AromaticContact CZ-CD2 3.69Å; F680-F951 HydrophobicContact CZ-CD2 3.69Å; F680-F951 HydrophobicContact CZ-CE2 4.35Å; F680-F951 AromaticContact CZ-CG 3.65Å; F680-F951 HydrophobicContact CZ-CG 3.65Å
681	C	95.3	Very high	92	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.8	161.8	-73.2	0	0	0	0	110.2	P801 R803 L845 M846 W922	C681-P801 CarbonylContact C-O 3.58Å; C681-P801 VanDerWaalsContact CA-O 3.24Å; C681-P801 WeakPolarHBondContact CA-O 2.93Å; C681-P801 WeakPolarHBondContact CB-O 3.49Å; C681-R803 HydrophobicContact CB-CB 4.06Å; C681-L845 CarbonylContact O-C 3.12Å; C681-M846 HydrophobicContact CB-CB 4.32Å; C681-M846 HydrophobicContact CB-CE 3.65Å; C681-M846 PolarHBondContact N-O 3.16Å; C681-M846 PolarHBondContact O-N 3.46Å; C681-W922 HydrophobicContact CB-CD2 4.4Å; C681-W922 HydrophobicContact CB-CE3 4.06Å; C681-W922 HydrophobicContact CB-CZ3 4.19Å
682	E	95.8	Very high	91.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.2	179.3	-55.5	-173.8	-168.1	0	0	110.3	P796 L797 C798 E799 E800 P801 I802 R803 F838 L845	E682-P796 WeakPolarHBondContact OE2-CD 3.39Å; E682-P796 VanDerWaalsContact OE2-N 3.15Å; E682-L797 HydrophobicContact CB-CD1 4.47Å; E682-L797 HydrophobicContact CG-CB 4.25Å; E682-L797 HydrophobicContact CG-CD1 4.29Å; E682-L797 PolarHBondContact OE1-N 3.12Å; E682-L797 WeakPolarHBondContact OE2-CB 3.48Å; E682-L797 WeakPolarHBondContact OE2-CG 3.5Å; E682-L797 PolarHBondContact OE2-N 3.22Å; E682-C798 PolarHBondContact OE1-N 2.91Å; E682-E799 PolarHBondContact OE1-N 3.07Å; E682-E800 WeakPolarHBondContact CG-O 3.36Å; E682-E800 PolarHBondContact OE1-N 3.49Å; E682-P801 PolarHBondContact N-O 2.91Å; E682-I802 HydrophobicContact CB-CG1 4.48Å; E682-I802 CarbonylContact O-C 3.45Å; E682-I802 WeakPolarHBondContact O-CA 3.48Å; E682-R803 PolarHBondContact O-N 3.02Å; E682-F838 HydrophobicContact CB-CE1 4.38Å; E682-F838 HydrophobicContact CB-CE2 4.35Å; E682-F838 HydrophobicContact CB-CZ 3.69Å; E682-L845 HydrophobicContact CG-CD2 4.16Å
683	T	96.2	Very high	91.6	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	167.8	178.6	-169	0	0	0	0	111.7	R803 F838 P843 R844 M846 I924	T683-R803 WeakPolarHBondContact CB-O 2.98Å; T683-R803 PolarHBondContact OG1-O 2.98Å; T683-F838 WeakPolarHBondContact O-CZ 3.45Å; T683-P843 CarbonylContact O-C 3.43Å; T683-P843 WeakPolarHBondContact O-CA 3.32Å; T683-R844 HydrophobicContact CG2-CB 4Å; T683-R844 PolarHBondContact N-O 2.79Å; T683-R844 PolarHBondContact O-N 2.8Å; T683-M846 HydrophobicContact CG2-CE 4.04Å; T683-M846 HydrophobicContact CG2-CG 3.67Å; T683-M846 HydrophobicContact CG2-SD 3.82Å; T683-I924 HydrophobicContact CG2-CD1 4.39Å; T683-I924 HydrophobicContact CG2-CG1 3.98Å
684	V	95.3	Very high	91.5	Very high	3 Å²	3	39 Å²	39	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	152.7	167.2	-55	0	0	0	0	109.4	A707 P709 V805 F838 A841	V684-A707 HydrophobicContact CG1-CB 4.49Å; V684-P709 HydrophobicContact CG2-CB 4.05Å; V684-V805 HydrophobicContact CG1-CG1 4.16Å; V684-V805 HydrophobicContact CG1-CG2 4.12Å; V684-V805 HydrophobicContact CG2-CG1 4.01Å; V684-V805 HydrophobicContact CG2-CG2 4.08Å; V684-F838 HydrophobicContact CG1-CD2 3.57Å; V684-F838 HydrophobicContact CG1-CE2 3.64Å; V684-F838 HydrophobicContact CG1-CG 4.21Å; V684-F838 HydrophobicContact CG1-CZ 4.33Å; V684-A841 HydrophobicContact CB-CB 3.92Å; V684-A841 WeakPolarHBondContact CB-O 3.28Å; V684-A841 HydrophobicContact CG1-CB 3.57Å; V684-A841 VanDerWaalsContact CG1-O 3.28Å; V684-A841 WeakPolarHBondContact CG1-O 3.3Å
685	V	93.2	Very high	91.4	Very high	54 Å²	54	39.2 Å²	39.2	33%	0.327	22%	0.221	S	C	.	.	S	Bend	trans	-109.1	-20	171.1	-69.8	0	0	0	0	113.9	T842 R844 I924	V685-T842 HydrophobicContact CG2-CG2 3.62Å; V685-T842 WeakPolarHBondContact CG2-O 3.28Å; V685-T842 PolarHBondContact N-O 3.38Å; V685-R844 HydrophobicContact CG1-CG 3.69Å; V685-R844 HydrophobicContact CG2-CG 4.19Å; V685-I924 HydrophobicContact CG1-CD1 3.64Å
686	E	92.2	Very high	91.4	Very high	95 Å²	95	32.7 Å²	32.7	44%	0.444	19%	0.187	S	C	.	.	S	Bend	trans	-136.1	162.5	-176	-70.5	169	160.8	0	0	109.3	T842	E686-T842 WeakPolarHBondContact OE2-CB 3.41Å; E686-T842 PolarHBondContact OE2-OG1 2.7Å
687	T	92.3	Very high	91.1	Very high	72 Å²	72	35.3 Å²	35.3	44%	0.442	20%	0.204	S	C	.	.			trans	-72.5	142.6	175.3	-56.7	0	0	0	0	110.4	A689 I706 A707 E708	T687-A689 PolarHBondContact O-N 2.94Å; T687-I706 HydrophobicContact CG2-CD1 4.42Å; T687-A707 CarbonylContact C-O 3.51Å; T687-A707 WeakPolarHBondContact CA-O 3.46Å; T687-E708 HydrophobicContact CG2-CB 4.11Å
688	S	88.5	Confident	90.9	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.07	21%	0.205	C	C	.	.			trans	-53	124.3	177.2	57.7	0	0	0	0	111.8	L690 I706 A707 A837 M840	S688-L690 PolarHBondContact O-N 3.14Å; S688-L690 VanDerWaalsContact O-N 3.07Å; S688-L690 PolarHBondContact OG-O 2.82Å; S688-I706 WeakPolarHBondContact OG-CA 3.24Å; S688-I706 WeakPolarHBondContact OG-CB 3.43Å; S688-I706 WeakPolarHBondContact OG-CG2 3.47Å; S688-A707 PolarHBondContact N-O 3.34Å; S688-A707 PolarHBondContact OG-N 3.42Å; S688-A837 WeakPolarHBondContact CB-O 3.29Å; S688-M840 WeakPolarHBondContact CA-O 3.41Å
689	A	81.4	Confident	90.6	Very high	90 Å²	90	45.4 Å²	45.4	74%	0.744	24%	0.241	S	C	*	.	S	Bend	trans	-59.5	-25	-176.4	0	0	0	0	0	113.3	T687 M840	T687-A689 PolarHBondContact O-N 2.94Å; A689-M840 PolarHBondContact N-O 2.8Å
690	L	81.8	Confident	90.5	Very high	37 Å²	37	49 Å²	49	19%	0.194	25%	0.254	C	S	.	.	S	Bend	trans	-130.8	149.4	-176.6	-63.8	174.9	0	0	0	112.1	S688 C692 L979 V984	S688-L690 PolarHBondContact O-N 3.14Å; S688-L690 VanDerWaalsContact O-N 3.07Å; S688-L690 PolarHBondContact OG-O 2.82Å; L690-C692 PolarHBondContact O-N 3.36Å; L690-C692 PolarHBondContact O-SG 3.44Å; L690-L979 HydrophobicContact CD1-CD2 3.31Å; L690-V984 HydrophobicContact CD1-CG1 4.45Å; L690-V984 HydrophobicContact CD1-CG2 4.21Å
691	K	87.2	Confident	90.3	Very high	144 Å²	144	49 Å²	49	63%	0.626	25%	0.254	S	S	*	.			trans	-71.7	108.8	169.1	-60.8	-172.2	179.7	-173.5	0	108.4	T704 I706 L810	K691-T704 HydrophobicContact CB-CG2 3.96Å; K691-I706 HydrophobicContact CB-CG2 4.46Å; K691-I706 HydrophobicContact CG-CG2 4.19Å; K691-L810 HydrophobicContact CB-CD1 4.46Å; K691-L810 HydrophobicContact CD-CD1 3.68Å; K691-L810 HydrophobicContact CG-CD1 3.74Å
692	C	88.6	Confident	90.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.5	-174.5	-60.5	0	0	0	0	110.1	L690 T704 M705 V833 S836 A837 M975	L690-C692 PolarHBondContact O-N 3.36Å; L690-C692 PolarHBondContact O-SG 3.44Å; C692-T704 CarbonylContact O-C 3.55Å; C692-T704 VanDerWaalsContact O-CA 3.24Å; C692-T704 WeakPolarHBondContact O-CA 3.37Å; C692-M705 PolarHBondContact N-O 2.95Å; C692-M705 PolarHBondContact O-N 3.48Å; C692-V833 WeakPolarHBondContact O-CG2 3.4Å; C692-S836 WeakPolarHBondContact CB-OG 3.27Å; C692-A837 HydrophobicContact CB-CB 4.13Å; C692-M975 HydrophobicContact CB-CE 3.75Å; C692-M975 HydrophobicContact CB-SD 4.28Å
693	F	90.6	Very high	90.1	Very high	12 Å²	12	51.1 Å²	51.1	5%	0.053	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.8	178.8	68.1	-96.7	0	0	0	112.7	K702 L703 T704 P974 M975 E978	F693-K702 HydrophobicContact CB-CG 4.27Å; F693-K702 HydrophobicContact CD2-CD 4.13Å; F693-K702 HydrophobicContact CD2-CG 4.31Å; F693-K702 HydrophobicContact CG-CD 4.48Å; F693-L703 CarbonylContact C-O 3.56Å; F693-L703 WeakPolarHBondContact CA-O 3.14Å; F693-L703 WeakPolarHBondContact CB-O 3.16Å; F693-T704 HydrophobicContact CB-CG2 4.44Å; F693-P974 HydrophobicContact CE2-CB 4.19Å; F693-P974 HydrophobicContact CZ-CB 4.3Å; F693-M975 HydrophobicContact CD1-CB 4.48Å; F693-M975 HydrophobicContact CD1-CG 4.19Å; F693-M975 HydrophobicContact CD1-SD 4.33Å; F693-M975 HydrophobicContact CD2-CB 4.4Å; F693-M975 HydrophobicContact CE1-CB 3.96Å; F693-M975 HydrophobicContact CE1-CG 3.89Å; F693-M975 HydrophobicContact CE2-CB 3.89Å; F693-M975 HydrophobicContact CZ-CB 3.65Å; F693-M975 HydrophobicContact CZ-CG 4.13Å; F693-M975 PolarHBondContact N-SD 3.05Å; F693-M975 VanDerWaalsContact N-SD 3.4Å; F693-M975 VanDerWaalsContact O-SD 3.35Å; F693-E978 VanDerWaalsContact CE1-OE2 3.23Å; F693-E978 WeakPolarHBondContact CE1-OE2 3.3Å
694	A	90.7	Very high	90	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.1	169	0	0	0	0	0	110.8	K702 L703 T829 R832 V833 D972	A694-K702 WeakPolarHBondContact O-CA 3.46Å; A694-L703 PolarHBondContact N-O 2.73Å; A694-L703 PolarHBondContact O-N 3.09Å; A694-T829 HydrophobicContact CB-CG2 3.78Å; A694-T829 WeakPolarHBondContact O-CG2 2.96Å; A694-R832 HydrophobicContact CB-CB 4.36Å; A694-V833 HydrophobicContact CB-CB 3.84Å; A694-D972 VanDerWaalsContact CA-OD2 3.25Å; A694-D972 WeakPolarHBondContact CA-OD2 3.25Å
695	E	91.1	Very high	90	Very high	47 Å²	47	51.3 Å²	51.3	22%	0.22	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142	178	-67.3	-178	-172.1	0	0	110.7	N701 K702 R832 D972	E695-N701 CarbonylContact C-O 3.44Å; E695-N701 WeakPolarHBondContact CA-O 3.4Å; E695-K702 HydrophobicContact CG-CB 4.08Å; E695-K702 HydrophobicContact CG-CD 4.17Å; E695-K702 HydrophobicContact CG-CG 4.03Å; E695-K702 IonicContact OE1-NZ 2.69Å; E695-R832 PolarHBondContact O-NH2 2.91Å; E695-D972 PolarHBondContact N-OD2 2.95Å
696	T	91	Very high	90.1	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	25%	0.254	C	S	.	.			trans	-65.2	152.9	175.2	48.5	0	0	0	0	110.8	N698 R699 N701 Q825 T829	T696-N698 WeakPolarHBondContact CB-OD1 3.44Å; T696-N698 PolarHBondContact O-N 3.04Å; T696-N698 PolarHBondContact OG1-OD1 2.72Å; T696-R699 WeakPolarHBondContact O-CA 3.35Å; T696-R699 PolarHBondContact O-N 2.81Å; T696-N701 HydrophobicContact CG2-CB 3.84Å; T696-N701 PolarHBondContact N-O 3.44Å; T696-N701 PolarHBondContact OG1-N 3.3Å; T696-N701 PolarHBondContact OG1-ND2 2.89Å; T696-N701 PolarHBondContact OG1-O 2.74Å; T696-Q825 HydrophobicContact CG2-CB 4.12Å; T696-Q825 WeakPolarHBondContact CG2-O 3.48Å; T696-T829 HydrophobicContact CG2-CG2 4.03Å; T696-T829 WeakPolarHBondContact CG2-OG1 3.31Å
697	P	87.5	Confident	90.2	Very high	100 Å²	100	45.3 Å²	45.3	65%	0.649	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.2	-179.9	-29.7	35.8	0	0	0	114.5	R699	P697-R699 VanDerWaalsContact C-N 3.26Å; P697-R699 PolarHBondContact O-N 2.89Å
698	N	89.7	Confident	90.4	Very high	51 Å²	51	43.1 Å²	43.1	27%	0.273	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.7	174	67.7	10.7	0	0	0	115.1	T696 K700 Y820	T696-N698 WeakPolarHBondContact CB-OD1 3.44Å; T696-N698 PolarHBondContact O-N 3.04Å; T696-N698 PolarHBondContact OG1-OD1 2.72Å; N698-K700 PolarHBondContact O-N 3.35Å; N698-K700 WeakPolarHBondContact OD1-CB 3.35Å; N698-K700 PolarHBondContact OD1-N 2.75Å; N698-Y820 PolarHBondContact ND2-O 3.47Å
699	R	88.1	Confident	90.7	Very high	205 Å²	205	44.9 Å²	44.9	77%	0.774	23%	0.229	S	C	*	.	S	Bend	trans	54.3	25.2	-176.3	-57	-177.3	-177.4	173.9	-2	115.4	T696 P697	T696-R699 WeakPolarHBondContact O-CA 3.35Å; T696-R699 PolarHBondContact O-N 2.81Å; P697-R699 VanDerWaalsContact C-N 3.26Å; P697-R699 PolarHBondContact O-N 2.89Å
700	K	88.9	Confident	91.3	Very high	88 Å²	88	41.4 Å²	41.4	38%	0.383	20%	0.198	S	C	.	.	S	Bend	trans	-103.9	-13	-177.4	-72.7	-166.4	178.5	-171.1	0	115.1	N698 A815 Y820	N698-K700 PolarHBondContact O-N 3.35Å; N698-K700 WeakPolarHBondContact OD1-CB 3.35Å; N698-K700 PolarHBondContact OD1-N 2.75Å; K700-A815 HydrophobicContact CB-CB 3.98Å; K700-A815 HydrophobicContact CD-CB 4.46Å; K700-A815 PolarHBondContact O-N 2.76Å; K700-Y820 HydrophobicContact CD-CD1 3.67Å; K700-Y820 HydrophobicContact CD-CD2 3.67Å; K700-Y820 HydrophobicContact CD-CE1 4.23Å; K700-Y820 HydrophobicContact CD-CE2 4.23Å; K700-Y820 HydrophobicContact CD-CG 3.41Å; K700-Y820 VanDerWaalsContact CD-CG 3.41Å
701	N	91.8	Very high	91.8	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.027	20%	0.204	C	C	.	.			trans	-133.7	144.7	175	-34.8	-88.6	0	0	0	109.7	E695 T696 V813 A815 Y820	E695-N701 CarbonylContact C-O 3.44Å; E695-N701 WeakPolarHBondContact CA-O 3.4Å; T696-N701 HydrophobicContact CG2-CB 3.84Å; T696-N701 PolarHBondContact N-O 3.44Å; T696-N701 PolarHBondContact OG1-N 3.3Å; T696-N701 PolarHBondContact OG1-ND2 2.89Å; T696-N701 PolarHBondContact OG1-O 2.74Å; N701-V813 CarbonylContact C-O 3.49Å; N701-V813 WeakPolarHBondContact CA-O 3.1Å; N701-V813 WeakPolarHBondContact CB-O 3.43Å; N701-A815 PolarHBondContact OD1-N 2.97Å; N701-Y820 PolarHBondContact ND2-O 2.79Å
702	K	92.7	Very high	92	Very high	48 Å²	48	47.5 Å²	47.5	21%	0.209	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	125.3	179.2	178.9	171.9	173.7	145.1	0	108.2	F693 A694 E695 A812 V813	F693-K702 HydrophobicContact CB-CG 4.27Å; F693-K702 HydrophobicContact CD2-CD 4.13Å; F693-K702 HydrophobicContact CD2-CG 4.31Å; F693-K702 HydrophobicContact CG-CD 4.48Å; A694-K702 WeakPolarHBondContact O-CA 3.46Å; E695-K702 HydrophobicContact CG-CB 4.08Å; E695-K702 HydrophobicContact CG-CD 4.17Å; E695-K702 HydrophobicContact CG-CG 4.03Å; E695-K702 IonicContact OE1-NZ 2.69Å; K702-A812 CarbonylContact O-C 3.46Å; K702-A812 WeakPolarHBondContact O-CA 3.4Å; K702-V813 HydrophobicContact CB-CB 4.12Å; K702-V813 HydrophobicContact CB-CG2 4.41Å; K702-V813 PolarHBondContact N-O 3.2Å; K702-V813 PolarHBondContact O-N 2.67Å
703	L	93.7	Very high	92	Very high	4 Å²	4	49 Å²	49	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.6	175.3	-61.6	177.9	0	0	0	108.9	F693 A694 I780 V784 L809 A812 V826 A830 V833	F693-L703 CarbonylContact C-O 3.56Å; F693-L703 WeakPolarHBondContact CA-O 3.14Å; F693-L703 WeakPolarHBondContact CB-O 3.16Å; A694-L703 PolarHBondContact N-O 2.73Å; A694-L703 PolarHBondContact O-N 3.09Å; L703-I780 HydrophobicContact CD2-CD1 3.9Å; L703-V784 HydrophobicContact CD1-CG2 4.09Å; L703-L809 HydrophobicContact CB-CD1 4.43Å; L703-L809 HydrophobicContact CD2-CD1 4.44Å; L703-A812 HydrophobicContact CD2-CB 3.93Å; L703-V826 HydrophobicContact CD1-CG1 4.39Å; L703-A830 HydrophobicContact CD1-CB 4Å; L703-V833 HydrophobicContact CB-CG1 4.12Å; L703-V833 WeakPolarHBondContact O-CG2 3.36Å
704	T	94.3	Very high	92.1	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.7	179.5	-53.6	0	0	0	0	110.4	K691 C692 F693 L810 D811	K691-T704 HydrophobicContact CB-CG2 3.96Å; C692-T704 CarbonylContact O-C 3.55Å; C692-T704 VanDerWaalsContact O-CA 3.24Å; C692-T704 WeakPolarHBondContact O-CA 3.37Å; F693-T704 HydrophobicContact CB-CG2 4.44Å; T704-L810 PolarHBondContact O-N 2.96Å; T704-D811 PolarHBondContact N-O 3.43Å; T704-D811 PolarHBondContact O-N 2.7Å
705	M	94.7	Very high	92.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	158.2	179.5	-61.3	-171	-176.9	0	0	113.1	C692 L763 V784 K808 L809 V833 A837	C692-M705 PolarHBondContact N-O 2.95Å; C692-M705 PolarHBondContact O-N 3.48Å; M705-L763 HydrophobicContact CE-CD1 4.28Å; M705-V784 HydrophobicContact CE-CG1 3.76Å; M705-K808 CarbonylContact C-O 3.57Å; M705-K808 VanDerWaalsContact CA-O 3.23Å; M705-K808 WeakPolarHBondContact CA-O 3.22Å; M705-L809 HydrophobicContact CE-CD1 3.91Å; M705-L809 HydrophobicContact CG-CD1 3.83Å; M705-V833 HydrophobicContact CB-CG2 4.01Å; M705-V833 HydrophobicContact CE-CG1 3.9Å; M705-V833 HydrophobicContact CG-CG1 3.94Å; M705-V833 HydrophobicContact CG-CG2 4.11Å; M705-V833 HydrophobicContact SD-CG1 3.78Å; M705-A837 HydrophobicContact CB-CB 4.27Å
706	I	95.2	Very high	92.2	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.118	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	154.5	161.6	58.4	169.7	0	0	0	109.7	T687 S688 K691 F807 K808 L810	T687-I706 HydrophobicContact CG2-CD1 4.42Å; S688-I706 WeakPolarHBondContact OG-CA 3.24Å; S688-I706 WeakPolarHBondContact OG-CB 3.43Å; S688-I706 WeakPolarHBondContact OG-CG2 3.47Å; K691-I706 HydrophobicContact CB-CG2 4.46Å; K691-I706 HydrophobicContact CG-CG2 4.19Å; I706-F807 WeakPolarHBondContact O-CA 3.4Å; I706-K808 HydrophobicContact CD1-CB 4.35Å; I706-K808 HydrophobicContact CD1-CD 3.94Å; I706-K808 HydrophobicContact CG1-CB 3.78Å; I706-K808 HydrophobicContact CG1-CD 4.23Å; I706-K808 PolarHBondContact N-O 3.43Å; I706-K808 PolarHBondContact O-N 2.97Å; I706-L810 HydrophobicContact CB-CD1 4.36Å; I706-L810 HydrophobicContact CD1-CD1 4.06Å; I706-L810 HydrophobicContact CD1-CD2 4.18Å; I706-L810 HydrophobicContact CD1-CG 4.43Å; I706-L810 HydrophobicContact CG1-CD1 3.95Å; I706-L810 HydrophobicContact CG1-CD2 4.22Å; I706-L810 HydrophobicContact CG1-CG 4.09Å; I706-L810 HydrophobicContact CG2-CD1 3.62Å; I706-L810 HydrophobicContact CG2-CG 4.48Å
707	A	95.6	Very high	92.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.8	172.3	0	0	0	0	0	109.6	V684 T687 S688 V805 K806 F807 A837 A841	V684-A707 HydrophobicContact CG1-CB 4.49Å; T687-A707 CarbonylContact C-O 3.51Å; T687-A707 WeakPolarHBondContact CA-O 3.46Å; S688-A707 PolarHBondContact N-O 3.34Å; S688-A707 PolarHBondContact OG-N 3.42Å; A707-V805 HydrophobicContact CB-CG1 3.98Å; A707-K806 WeakPolarHBondContact CA-O 3.43Å; A707-F807 HydrophobicContact CB-CD1 4.11Å; A707-F807 HydrophobicContact CB-CE1 3.96Å; A707-A837 HydrophobicContact CB-CB 4.2Å; A707-A841 HydrophobicContact CB-CB 3.92Å
708	E	94.9	Very high	92.4	Very high	26 Å²	26	46.8 Å²	46.8	12%	0.121	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.4	174.3	68.5	-172.7	-163	0	0	110.5	T687 K806 K808	T687-E708 HydrophobicContact CG2-CB 4.11Å; E708-K806 HydrophobicContact CG-CB 3.77Å; E708-K806 HydrophobicContact CG-CD 3.97Å; E708-K806 HydrophobicContact CG-CG 3.99Å; E708-K806 PolarHBondContact N-O 3.39Å; E708-K806 WeakPolarHBondContact O-CB 3.19Å; E708-K806 PolarHBondContact O-N 3.45Å; E708-K806 WeakPolarHBondContact OE1-CD 3.33Å; E708-K806 WeakPolarHBondContact OE1-CE 3.42Å; E708-K806 IonicContact OE1-NZ 3.52Å; E708-K806 PolarHBondContact OE1-NZ 2.74Å; E708-K808 WeakPolarHBondContact OE1-CE 3.44Å; E708-K808 IonicContact OE1-NZ 3.79Å; E708-K808 PolarHBondContact OE1-NZ 2.69Å; E708-K808 WeakPolarHBondContact OE2-CE 3.16Å; E708-K808 IonicContact OE2-NZ 2.7Å; E708-K808 PolarHBondContact OE2-NZ 3.03Å
709	P	96.3	Very high	92.3	Very high	47 Å²	47	45.8 Å²	45.8	31%	0.305	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.6	177	27.3	-35.7	0	0	0	111.2	V684	V684-P709 HydrophobicContact CG2-CB 4.05Å
710	L	93.6	Very high	92.1	Very high	18 Å²	18	40.1 Å²	40.1	9%	0.094	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-73.1	151.8	171.1	-77.8	170.5	0	0	0	111.9	L714 P760 I762 N804 K806	L710-L714 HydrophobicContact CD2-CD2 3.69Å; L710-L714 HydrophobicContact CD2-CG 4.41Å; L710-P760 VanDerWaalsContact CD1-O 3.3Å; L710-P760 WeakPolarHBondContact CD1-O 3.4Å; L710-I762 HydrophobicContact CD1-CG1 4.11Å; L710-I762 HydrophobicContact CD2-CB 4.33Å; L710-I762 HydrophobicContact CD2-CD1 3.59Å; L710-I762 HydrophobicContact CD2-CG1 3.82Å; L710-N804 WeakPolarHBondContact CB-O 3.35Å; L710-N804 PolarHBondContact N-O 2.88Å; L710-K806 HydrophobicContact CD2-CB 3.71Å; L710-K806 HydrophobicContact CD2-CD 4.1Å; L710-K806 HydrophobicContact CD2-CG 4.33Å; L710-K806 HydrophobicContact CG-CB 4.03Å
711	E	92.5	Very high	91.9	Very high	67 Å²	67	39 Å²	39	31%	0.313	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-63	144.9	175.7	-62.6	83	171.3	0	0	111.9	G713 L714 Y740 W742	E711-G713 PolarHBondContact O-N 3.48Å; E711-L714 HydrophobicContact CB-CB 4.5Å; E711-L714 VanDerWaalsContact O-CB 3.3Å; E711-L714 WeakPolarHBondContact O-CB 3.37Å; E711-L714 PolarHBondContact O-N 2.83Å; E711-L714 VanDerWaalsContact O-N 3.08Å; E711-L714 VanDerWaalsContact OE2-CD2 3.28Å; E711-L714 WeakPolarHBondContact OE2-CD2 3.31Å; E711-Y740 HydrophobicContact CB-CD1 3.83Å; E711-Y740 HydrophobicContact CB-CE1 4.28Å; E711-Y740 HydrophobicContact CG-CD1 4.49Å; E711-W742 PolarHBondContact OE1-NE1 3.49Å; E711-W742 PolarHBondContact OE2-NE1 3.05Å
712	R	90	Very high	91.7	Very high	242 Å²	242	40.6 Å²	40.6	91%	0.913	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	130.1	-177.3	-66.2	-175.1	-179.6	-176	0.3	111.2	L714	R712-L714 VanDerWaalsContact C-N 3.31Å; R712-L714 PolarHBondContact O-N 3.45Å
713	G	89.3	Confident	91.5	Very high	31 Å²	31	38.3 Å²	38.3	32%	0.32	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-15.5	-178.2	0	0	0	0	0	115.3	E711 A715 E716 D717 Y740	E711-G713 PolarHBondContact O-N 3.48Å; G713-A715 PolarHBondContact O-N 3.16Å; G713-E716 PolarHBondContact O-N 2.81Å; G713-D717 PolarHBondContact O-N 3.41Å; G713-Y740 PolarHBondContact O-OH 2.83Å
714	L	92.9	Very high	91.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-40.2	-177.8	175.1	53.2	0	0	0	112.6	L710 E711 R712 E716 D717 I718 F736 Y740 W742 I762	L710-L714 HydrophobicContact CD2-CD2 3.69Å; L710-L714 HydrophobicContact CD2-CG 4.41Å; E711-L714 HydrophobicContact CB-CB 4.5Å; E711-L714 VanDerWaalsContact O-CB 3.3Å; E711-L714 WeakPolarHBondContact O-CB 3.37Å; E711-L714 PolarHBondContact O-N 2.83Å; E711-L714 VanDerWaalsContact O-N 3.08Å; E711-L714 VanDerWaalsContact OE2-CD2 3.28Å; E711-L714 WeakPolarHBondContact OE2-CD2 3.31Å; R712-L714 VanDerWaalsContact C-N 3.31Å; R712-L714 PolarHBondContact O-N 3.45Å; L714-E716 VanDerWaalsContact C-N 3.3Å; L714-E716 PolarHBondContact O-N 3.05Å; L714-D717 WeakPolarHBondContact O-CB 3.31Å; L714-D717 PolarHBondContact O-N 3.18Å; L714-I718 HydrophobicContact CD1-CD1 4.3Å; L714-I718 HydrophobicContact CD1-CG1 4.4Å; L714-I718 HydrophobicContact CG-CD1 4.34Å; L714-I718 WeakPolarHBondContact O-CG1 3.42Å; L714-I718 PolarHBondContact O-N 3.41Å; L714-F736 HydrophobicContact CD1-CD1 4.31Å; L714-F736 HydrophobicContact CD1-CE1 3.52Å; L714-F736 HydrophobicContact CD1-CZ 3.99Å; L714-F736 HydrophobicContact CD2-CD1 4.44Å; L714-F736 HydrophobicContact CD2-CE1 3.82Å; L714-F736 HydrophobicContact CG-CE1 4.26Å; L714-Y740 WeakPolarHBondContact CA-OH 3.23Å; L714-Y740 HydrophobicContact CB-CD1 4.3Å; L714-Y740 HydrophobicContact CB-CE1 3.81Å; L714-Y740 HydrophobicContact CB-CE2 4.17Å; L714-Y740 HydrophobicContact CD1-CD2 3.93Å; L714-Y740 HydrophobicContact CD1-CE2 3.66Å; L714-Y740 HydrophobicContact CG-CE2 4.41Å; L714-Y740 PolarHBondContact N-OH 2.96Å; L714-W742 HydrophobicContact CD2-CZ2 4.1Å; L714-I762 HydrophobicContact CD2-CD1 3.92Å; L714-I762 HydrophobicContact CG-CD1 4.3Å
715	A	92.3	Very high	90.7	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-38.2	172.9	0	0	0	0	0	112.8	G713 I718 E719 P760 N804	G713-A715 PolarHBondContact O-N 3.16Å; A715-I718 PolarHBondContact O-N 2.89Å; A715-E719 WeakPolarHBondContact O-CG 3.46Å; A715-E719 PolarHBondContact O-N 3.39Å; A715-E719 VanDerWaalsContact O-N 3.09Å; A715-P760 HydrophobicContact CB-CB 3.71Å; A715-N804 WeakPolarHBondContact CB-OD1 3.43Å
716	E	90.5	Very high	90.2	Very high	93 Å²	93	47 Å²	47	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-68.6	-38.9	177	-60.9	178.6	177.8	0	0	111.1	G713 L714 E719 N720	G713-E716 PolarHBondContact O-N 2.81Å; L714-E716 VanDerWaalsContact C-N 3.3Å; L714-E716 PolarHBondContact O-N 3.05Å; E716-E719 PolarHBondContact O-N 2.89Å; E716-N720 VanDerWaalsContact O-CB 3.31Å; E716-N720 WeakPolarHBondContact O-CB 3.49Å; E716-N720 PolarHBondContact O-N 3.24Å; E716-N720 PolarHBondContact O-ND2 3.08Å
717	D	90.9	Very high	89.7	Confident	21 Å²	21	48.9 Å²	48.9	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-44	173	-92.2	-2.3	0	0	0	112.5	G713 L714 E721 A722 F735 K739 Y740	G713-D717 PolarHBondContact O-N 3.41Å; L714-D717 WeakPolarHBondContact O-CB 3.31Å; L714-D717 PolarHBondContact O-N 3.18Å; D717-E721 PolarHBondContact O-N 3.06Å; D717-A722 HydrophobicContact CB-CB 4.09Å; D717-A722 WeakPolarHBondContact O-CB 3.45Å; D717-A722 PolarHBondContact O-N 2.91Å; D717-F735 HydrophobicContact CB-CZ 4.35Å; D717-F735 VanDerWaalsContact OD2-CZ 3.32Å; D717-F735 WeakPolarHBondContact OD2-CZ 3.45Å; D717-K739 IonicContact OD1-NZ 3.77Å; D717-K739 PolarHBondContact OD1-NZ 3.34Å; D717-K739 VanDerWaalsContact OD2-CD 3.28Å; D717-K739 WeakPolarHBondContact OD2-CD 3.4Å; D717-K739 WeakPolarHBondContact OD2-CE 3.46Å; D717-K739 IonicContact OD2-NZ 3.97Å; D717-K739 PolarHBondContact OD2-NZ 2.93Å; D717-Y740 WeakPolarHBondContact OD2-CE2 3.3Å; D717-Y740 PolarHBondContact OD2-OH 2.92Å
718	I	91.8	Very high	89.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-49.7	178	-63.3	160.7	0	0	0	109.7	L714 A715 N720 E721 V723 F753 V758 G759 I762	L714-I718 HydrophobicContact CD1-CD1 4.3Å; L714-I718 HydrophobicContact CD1-CG1 4.4Å; L714-I718 HydrophobicContact CG-CD1 4.34Å; L714-I718 WeakPolarHBondContact O-CG1 3.42Å; L714-I718 PolarHBondContact O-N 3.41Å; A715-I718 PolarHBondContact O-N 2.89Å; I718-N720 PolarHBondContact O-N 3.31Å; I718-E721 WeakPolarHBondContact O-CA 3.27Å; I718-E721 PolarHBondContact O-N 3.26Å; I718-V723 HydrophobicContact CB-CG1 4.25Å; I718-V723 HydrophobicContact CG1-CG1 3.55Å; I718-F753 HydrophobicContact CD1-CD1 4.24Å; I718-F753 HydrophobicContact CD1-CE1 4.08Å; I718-F753 HydrophobicContact CD1-CZ 4.36Å; I718-F753 HydrophobicContact CG1-CE1 4.34Å; I718-F753 HydrophobicContact CG1-CE2 4.27Å; I718-F753 HydrophobicContact CG1-CZ 4.12Å; I718-F753 HydrophobicContact CG2-CB 4.43Å; I718-F753 HydrophobicContact CG2-CD2 3.62Å; I718-F753 HydrophobicContact CG2-CE2 3.93Å; I718-F753 HydrophobicContact CG2-CG 3.98Å; I718-V758 WeakPolarHBondContact O-CG1 3.48Å; I718-G759 VanDerWaalsContact CG2-O 3.29Å; I718-G759 WeakPolarHBondContact CG2-O 3.09Å; I718-I762 HydrophobicContact CD1-CD1 4.01Å; I718-I762 HydrophobicContact CD1-CG1 3.91Å
719	E	89	Confident	89	Confident	29 Å²	29	60.5 Å²	60.5	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-31.6	-178.5	-69	-178.5	138.7	0	0	113.8	R603 A715 E716 E721 P760 R803	R603-E719 IonicContact CZ-OE1 3Å; R603-E719 IonicContact NH1-OE1 3.79Å; R603-E719 PolarHBondContact NH1-OE1 3.15Å; R603-E719 IonicContact NH1-OE2 3.2Å; R603-E719 IonicContact NH2-OE1 3.64Å; R603-E719 PolarHBondContact NH2-OE1 3.46Å; R603-E719 IonicContact NH2-OE2 3.87Å; A715-E719 WeakPolarHBondContact O-CG 3.46Å; A715-E719 PolarHBondContact O-N 3.39Å; A715-E719 VanDerWaalsContact O-N 3.09Å; E716-E719 PolarHBondContact O-N 2.89Å; E719-E721 PolarHBondContact O-N 2.92Å; E719-P760 HydrophobicContact CG-CB 4.18Å; E719-R803 IonicContact OE1-CZ 3.72Å; E719-R803 IonicContact OE1-NH1 3.21Å; E719-R803 PolarHBondContact OE1-NH1 2.89Å; E719-R803 IonicContact OE2-CZ 3.72Å; E719-R803 IonicContact OE2-NH1 3.97Å; E719-R803 PolarHBondContact OE2-NH1 2.75Å; E719-R803 IonicContact OE2-NH2 3.68Å; E719-R803 PolarHBondContact OE2-NH2 2.74Å
720	N	84.3	Confident	88.7	Confident	86 Å²	86	64.2 Å²	64.2	46%	0.46	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.5	171.2	-75.2	-73.2	0	0	0	112.7	K599 E716 I718 A722	K599-N720 PolarHBondContact NZ-O 3.15Å; E716-N720 VanDerWaalsContact O-CB 3.31Å; E716-N720 WeakPolarHBondContact O-CB 3.49Å; E716-N720 PolarHBondContact O-N 3.24Å; E716-N720 PolarHBondContact O-ND2 3.08Å; I718-N720 PolarHBondContact O-N 3.31Å; N720-A722 VanDerWaalsContact C-N 3.27Å
721	E	84.6	Confident	88.5	Confident	64 Å²	64	67.8 Å²	67.8	30%	0.299	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	26.6	-171.9	-62.9	172.9	-113.6	0	0	114.5	K599 D717 I718 E719 V723 Q724 V758	K599-E721 WeakPolarHBondContact CD-OE1 3.39Å; K599-E721 WeakPolarHBondContact CE-OE1 3.3Å; K599-E721 IonicContact NZ-OE1 2.65Å; K599-E721 PolarHBondContact NZ-OE1 3.39Å; D717-E721 PolarHBondContact O-N 3.06Å; I718-E721 WeakPolarHBondContact O-CA 3.27Å; I718-E721 PolarHBondContact O-N 3.26Å; E719-E721 PolarHBondContact O-N 2.92Å; E721-V723 PolarHBondContact O-N 2.76Å; E721-Q724 HydrophobicContact CB-CG 4.29Å; E721-Q724 PolarHBondContact OE2-NE2 3.14Å; E721-V758 HydrophobicContact CG-CG1 3.56Å
722	A	85.8	Confident	88.4	Confident	39 Å²	39	64.8 Å²	64.8	32%	0.322	31%	0.313	S	S	.	.	S	Bend	trans	-64.4	-20.9	169.6	0	0	0	0	0	111.9	D717 N720 W727 F735	D717-A722 HydrophobicContact CB-CB 4.09Å; D717-A722 WeakPolarHBondContact O-CB 3.45Å; D717-A722 PolarHBondContact O-N 2.91Å; N720-A722 VanDerWaalsContact C-N 3.27Å; A722-W727 WeakPolarHBondContact O-CH2 3.49Å; A722-F735 HydrophobicContact CB-CZ 4.4Å
723	V	88.5	Confident	88.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.27	C	S	.	.	S	Bend	trans	-134.3	142.6	169.9	63.7	0	0	0	0	109.8	I718 E721 L732 F735 F736 F753	I718-V723 HydrophobicContact CB-CG1 4.25Å; I718-V723 HydrophobicContact CG1-CG1 3.55Å; E721-V723 PolarHBondContact O-N 2.76Å; V723-L732 HydrophobicContact CG2-CD1 3.37Å; V723-F735 HydrophobicContact CB-CD1 3.98Å; V723-F735 HydrophobicContact CB-CE1 3.73Å; V723-F735 HydrophobicContact CB-CZ 4.05Å; V723-F735 HydrophobicContact CG1-CE1 4.07Å; V723-F735 HydrophobicContact CG2-CD1 3.98Å; V723-F735 HydrophobicContact CG2-CE1 4.23Å; V723-F735 HydrophobicContact CG2-CG 4.46Å; V723-F736 HydrophobicContact CG2-CE2 3.91Å; V723-F753 HydrophobicContact CG1-CE2 4.2Å; V723-F753 HydrophobicContact CG1-CZ 4.09Å; V723-F753 HydrophobicContact CG2-CZ 4.26Å
724	Q	86.3	Confident	88.5	Confident	53 Å²	53	55.8 Å²	55.8	25%	0.248	27%	0.273	C	S	.	.			trans	-135	138.1	178.9	-63.4	172.7	-24.5	0	0	110	E721 S726 W727	E721-Q724 HydrophobicContact CB-CG 4.29Å; E721-Q724 PolarHBondContact OE2-NE2 3.14Å; Q724-S726 PolarHBondContact O-N 2.69Å; Q724-W727 HydrophobicContact CB-CG 4.34Å; Q724-W727 WeakPolarHBondContact O-CB 3.22Å; Q724-W727 PolarHBondContact O-N 2.73Å
725	I	86.1	Confident	88.5	Confident	48 Å²	48	57.6 Å²	57.6	25%	0.246	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.2	179.2	-165.1	63.8	0	0	0	113.2	W727 L732 I750 F753 N757	I725-W727 PolarHBondContact O-N 2.9Å; I725-L732 HydrophobicContact CD1-CD2 4.3Å; I725-I750 HydrophobicContact CD1-CG2 3.83Å; I725-F753 HydrophobicContact CB-CD2 4.22Å; I725-F753 HydrophobicContact CB-CE2 4.31Å; I725-N757 HydrophobicContact CG2-CB 4.47Å
726	S	83.9	Confident	88.5	Confident	95 Å²	95	57.5 Å²	57.5	66%	0.664	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.1	175.1	58.4	0	0	0	0	114	Q724	Q724-S726 PolarHBondContact O-N 2.69Å
727	W	85	Confident	88.6	Confident	64 Å²	64	57.3 Å²	57.3	24%	0.242	28%	0.279	C	S	.	.	S	Bend	trans	-70.2	157.3	177.8	-69.2	5.8	0	0	0	111.6	A722 Q724 I725 K731	A722-W727 WeakPolarHBondContact O-CH2 3.49Å; Q724-W727 HydrophobicContact CB-CG 4.34Å; Q724-W727 WeakPolarHBondContact O-CB 3.22Å; Q724-W727 PolarHBondContact O-N 2.73Å; I725-W727 PolarHBondContact O-N 2.9Å; W727-K731 HydrophobicContact CD2-CD 3.82Å; W727-K731 VanDerWaalsContact CE2-NZ 3.27Å; W727-K731 HydrophobicContact CE3-CD 3.47Å; W727-K731 VanDerWaalsContact CE3-CD 3.47Å; W727-K731 VanDerWaalsContact CE3-CE 3.44Å; W727-K731 HydrophobicContact CE3-CG 3.83Å; W727-K731 HydrophobicContact CG-CD 4.3Å; W727-K731 HydrophobicContact CZ3-CD 3.97Å; W727-K731 HydrophobicContact CZ3-CG 4.28Å; W727-K731 VanDerWaalsContact CZ3-NZ 3.32Å
728	N	88.5	Confident	88.6	Confident	107 Å²	107	61.8 Å²	61.8	57%	0.572	31%	0.308	S	S	*	.			trans	-61.6	143.3	173.2	72.6	46.4	0	0	0	110.6	K730 K731 L732	N728-K730 PolarHBondContact O-N 2.69Å; N728-K730 PolarHBondContact OD1-N 2.76Å; N728-K731 PolarHBondContact O-N 3.09Å; N728-K731 VanDerWaalsContact O-N 3.16Å; N728-K731 WeakPolarHBondContact OD1-CB 3.41Å; N728-K731 PolarHBondContact OD1-N 2.96Å; N728-L732 PolarHBondContact O-N 3.33Å
729	R	88	Confident	88.6	Confident	162 Å²	162	67 Å²	67	61%	0.611	33%	0.331	S	S	*	.	H	α-helix	trans	-60	-18.8	-175.5	-59.7	-169.2	-168.9	-177.2	6.4	113.8	G733	R729-G733 PolarHBondContact O-N 3.29Å
730	K	88.3	Confident	88.8	Confident	126 Å²	126	67.3 Å²	67.3	55%	0.548	33%	0.331	S	S	.	.	H	α-helix	trans	-73.2	-53.3	175.9	-177.5	178.8	168.3	-177.5	0	111.1	N728 L732 G733 E734	N728-K730 PolarHBondContact O-N 2.69Å; N728-K730 PolarHBondContact OD1-N 2.76Å; K730-L732 VanDerWaalsContact C-N 3.3Å; K730-L732 PolarHBondContact O-N 3.47Å; K730-G733 PolarHBondContact O-N 3.31Å; K730-E734 WeakPolarHBondContact CE-OE1 3.3Å; K730-E734 WeakPolarHBondContact CG-OE1 3.45Å; K730-E734 IonicContact NZ-OE1 3.97Å; K730-E734 WeakPolarHBondContact O-CG 3.28Å; K730-E734 PolarHBondContact O-N 3.01Å
731	K	90.4	Very high	89.1	Confident	92 Å²	92	70.2 Å²	70.2	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-38.5	176.2	-172.5	-171.4	179.2	-155.2	0	111.2	W727 N728 E734 F735	W727-K731 HydrophobicContact CD2-CD 3.82Å; W727-K731 VanDerWaalsContact CE2-NZ 3.27Å; W727-K731 HydrophobicContact CE3-CD 3.47Å; W727-K731 VanDerWaalsContact CE3-CD 3.47Å; W727-K731 VanDerWaalsContact CE3-CE 3.44Å; W727-K731 HydrophobicContact CE3-CG 3.83Å; W727-K731 HydrophobicContact CG-CD 4.3Å; W727-K731 HydrophobicContact CZ3-CD 3.97Å; W727-K731 HydrophobicContact CZ3-CG 4.28Å; W727-K731 VanDerWaalsContact CZ3-NZ 3.32Å; N728-K731 PolarHBondContact O-N 3.09Å; N728-K731 VanDerWaalsContact O-N 3.16Å; N728-K731 WeakPolarHBondContact OD1-CB 3.41Å; N728-K731 PolarHBondContact OD1-N 2.96Å; K731-E734 PolarHBondContact O-N 3.18Å; K731-F735 PolarHBondContact O-N 3.47Å
732	L	90.7	Very high	89.4	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-58.4	-54.1	171.8	-168.1	68.7	0	0	0	110.4	V723 I725 N728 K730 E734 F735 F736 I750	V723-L732 HydrophobicContact CG2-CD1 3.37Å; I725-L732 HydrophobicContact CD1-CD2 4.3Å; N728-L732 PolarHBondContact O-N 3.33Å; K730-L732 VanDerWaalsContact C-N 3.3Å; K730-L732 PolarHBondContact O-N 3.47Å; L732-E734 VanDerWaalsContact C-N 3.34Å; L732-E734 PolarHBondContact O-N 3.43Å; L732-F735 WeakPolarHBondContact O-CB 3.45Å; L732-F735 PolarHBondContact O-N 2.97Å; L732-F736 HydrophobicContact CD1-CD2 4.25Å; L732-F736 HydrophobicContact CD1-CE2 3.81Å; L732-F736 HydrophobicContact CG-CD2 4.27Å; L732-F736 HydrophobicContact CG-CE2 4.2Å; L732-F736 WeakPolarHBondContact O-CD2 3.27Å; L732-F736 PolarHBondContact O-N 3.47Å; L732-I750 HydrophobicContact CD2-CB 4.2Å; L732-I750 HydrophobicContact CD2-CD1 4.36Å; L732-I750 HydrophobicContact CG-CD1 4.48Å
733	G	89.7	Confident	89.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-56.4	-43.6	177	0	0	0	0	0	114	R729 K730 Q737	R729-G733 PolarHBondContact O-N 3.29Å; K730-G733 PolarHBondContact O-N 3.31Å; G733-Q737 VanDerWaalsContact O-CB 3.25Å; G733-Q737 WeakPolarHBondContact O-CB 3.45Å; G733-Q737 PolarHBondContact O-N 3.31Å
734	E	91.6	Very high	89.4	Confident	84 Å²	84	74.9 Å²	74.9	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-38.4	178	-74.6	166.2	179.6	0	0	112.4	K730 K731 L732 T738	K730-E734 WeakPolarHBondContact CE-OE1 3.3Å; K730-E734 WeakPolarHBondContact CG-OE1 3.45Å; K730-E734 IonicContact NZ-OE1 3.97Å; K730-E734 WeakPolarHBondContact O-CG 3.28Å; K730-E734 PolarHBondContact O-N 3.01Å; K731-E734 PolarHBondContact O-N 3.18Å; L732-E734 VanDerWaalsContact C-N 3.34Å; L732-E734 PolarHBondContact O-N 3.43Å; E734-T738 VanDerWaalsContact O-CB 3.25Å; E734-T738 WeakPolarHBondContact O-CB 3.12Å; E734-T738 PolarHBondContact O-N 3.25Å; E734-T738 PolarHBondContact O-OG1 3.3Å
735	F	92.5	Very high	89.4	Confident	39 Å²	39	79.2 Å²	79.2	17%	0.171	39%	0.39	C	S	.	.	H	α-helix	trans	-62	-53.2	176.6	178.1	-90.7	0	0	0	111.6	D717 A722 V723 K731 L732 Q737 T738 K739 Y740	D717-F735 HydrophobicContact CB-CZ 4.35Å; D717-F735 VanDerWaalsContact OD2-CZ 3.32Å; D717-F735 WeakPolarHBondContact OD2-CZ 3.45Å; A722-F735 HydrophobicContact CB-CZ 4.4Å; V723-F735 HydrophobicContact CB-CD1 3.98Å; V723-F735 HydrophobicContact CB-CE1 3.73Å; V723-F735 HydrophobicContact CB-CZ 4.05Å; V723-F735 HydrophobicContact CG1-CE1 4.07Å; V723-F735 HydrophobicContact CG2-CD1 3.98Å; V723-F735 HydrophobicContact CG2-CE1 4.23Å; V723-F735 HydrophobicContact CG2-CG 4.46Å; K731-F735 PolarHBondContact O-N 3.47Å; L732-F735 WeakPolarHBondContact O-CB 3.45Å; L732-F735 PolarHBondContact O-N 2.97Å; F735-Q737 PolarHBondContact O-N 3.44Å; F735-T738 PolarHBondContact O-N 2.76Å; F735-K739 HydrophobicContact CE2-CD 4.32Å; F735-K739 HydrophobicContact CZ-CD 4.05Å; F735-K739 WeakPolarHBondContact O-CB 3.45Å; F735-K739 PolarHBondContact O-N 2.94Å; F735-Y740 HydrophobicContact CE1-CD2 4.46Å; F735-Y740 HydrophobicContact CE1-CE2 4.14Å
736	F	92.7	Very high	89.4	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-64.5	-39.8	-179.9	-82.3	-86.4	0	0	0	112.3	L714 V723 L732 Y740 N741 W742 A747 I750 F753 I762	L714-F736 HydrophobicContact CD1-CD1 4.31Å; L714-F736 HydrophobicContact CD1-CE1 3.52Å; L714-F736 HydrophobicContact CD1-CZ 3.99Å; L714-F736 HydrophobicContact CD2-CD1 4.44Å; L714-F736 HydrophobicContact CD2-CE1 3.82Å; L714-F736 HydrophobicContact CG-CE1 4.26Å; V723-F736 HydrophobicContact CG2-CE2 3.91Å; L732-F736 HydrophobicContact CD1-CD2 4.25Å; L732-F736 HydrophobicContact CD1-CE2 3.81Å; L732-F736 HydrophobicContact CG-CD2 4.27Å; L732-F736 HydrophobicContact CG-CE2 4.2Å; L732-F736 WeakPolarHBondContact O-CD2 3.27Å; L732-F736 PolarHBondContact O-N 3.47Å; F736-Y740 CarbonylContact O-C 3.58Å; F736-Y740 WeakPolarHBondContact O-CA 3.29Å; F736-Y740 PolarHBondContact O-N 2.97Å; F736-N741 PolarHBondContact O-N 2.99Å; F736-W742 HydrophobicContact CB-CB 4Å; F736-W742 HydrophobicContact CB-CD2 4.3Å; F736-W742 HydrophobicContact CB-CE3 4.38Å; F736-W742 HydrophobicContact CB-CG 4.17Å; F736-W742 AromaticContact CD1-CD2 3.72Å; F736-W742 HydrophobicContact CD1-CD2 3.72Å; F736-W742 AromaticContact CD1-CE2 3.89Å; F736-W742 AromaticContact CD1-CE3 3.85Å; F736-W742 HydrophobicContact CD1-CE3 3.85Å; F736-W742 HydrophobicContact CD1-CG 4.21Å; F736-W742 HydrophobicContact CD1-CH2 4.23Å; F736-W742 HydrophobicContact CD1-CZ2 4.15Å; F736-W742 HydrophobicContact CD1-CZ3 4.11Å; F736-W742 HydrophobicContact CE1-CD2 4.49Å; F736-W742 HydrophobicContact CE1-CE3 4.46Å; F736-W742 HydrophobicContact CE1-CH2 4.09Å; F736-W742 HydrophobicContact CE1-CZ2 4.15Å; F736-W742 HydrophobicContact CE1-CZ3 4.27Å; F736-W742 HydrophobicContact CG-CD2 4.36Å; F736-W742 HydrophobicContact CG-CE3 4.28Å; F736-W742 PolarHBondContact O-N 2.8Å; F736-A747 HydrophobicContact CB-CB 3.73Å; F736-A747 HydrophobicContact CG-CB 4.41Å; F736-I750 HydrophobicContact CD1-CD1 4.33Å; F736-I750 HydrophobicContact CD2-CD1 3.65Å; F736-I750 HydrophobicContact CE1-CD1 4.05Å; F736-I750 HydrophobicContact CE2-CD1 3.34Å; F736-I750 HydrophobicContact CG-CD1 4.15Å; F736-I750 HydrophobicContact CZ-CD1 3.57Å; F736-F753 HydrophobicContact CZ-CE1 4.35Å; F736-F753 HydrophobicContact CZ-CZ 4.32Å; F736-I762 HydrophobicContact CE1-CD1 3.67Å; F736-I762 HydrophobicContact CZ-CD1 3.79Å
737	Q	91.3	Very high	89.6	Confident	89 Å²	89	73.3 Å²	73.3	42%	0.416	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-44	174.7	-174.3	177.6	23.2	0	0	112	G733 F735 N741	G733-Q737 VanDerWaalsContact O-CB 3.25Å; G733-Q737 WeakPolarHBondContact O-CB 3.45Å; G733-Q737 PolarHBondContact O-N 3.31Å; F735-Q737 PolarHBondContact O-N 3.44Å; Q737-N741 VanDerWaalsContact O-CA 3.31Å; Q737-N741 WeakPolarHBondContact O-CA 3.5Å; Q737-N741 PolarHBondContact O-N 2.82Å
738	T	92.2	Very high	89.7	Confident	115 Å²	115	75.2 Å²	75.2	71%	0.706	36%	0.362	S	S	*	.	H	α-helix	trans	-79.9	-36.7	-172.3	-49.8	0	0	0	0	113	E734 F735	E734-T738 VanDerWaalsContact O-CB 3.25Å; E734-T738 WeakPolarHBondContact O-CB 3.12Å; E734-T738 PolarHBondContact O-N 3.25Å; E734-T738 PolarHBondContact O-OG1 3.3Å; F735-T738 PolarHBondContact O-N 2.76Å
739	K	92.1	Very high	89.8	Confident	111 Å²	111	71.7 Å²	71.7	48%	0.483	35%	0.346	S	S	.	.	H	α-helix	trans	-95.3	-31.3	-175.2	-167.6	170.2	177.9	179.7	0	113.4	D717 F735	D717-K739 IonicContact OD1-NZ 3.77Å; D717-K739 PolarHBondContact OD1-NZ 3.34Å; D717-K739 VanDerWaalsContact OD2-CD 3.28Å; D717-K739 WeakPolarHBondContact OD2-CD 3.4Å; D717-K739 WeakPolarHBondContact OD2-CE 3.46Å; D717-K739 IonicContact OD2-NZ 3.97Å; D717-K739 PolarHBondContact OD2-NZ 2.93Å; F735-K739 HydrophobicContact CE2-CD 4.32Å; F735-K739 HydrophobicContact CZ-CD 4.05Å; F735-K739 WeakPolarHBondContact O-CB 3.45Å; F735-K739 PolarHBondContact O-N 2.94Å
740	Y	92.3	Very high	90.1	Very high	34 Å²	34	64.4 Å²	64.4	13%	0.133	32%	0.319	C	S	.	.	H	α-helix	trans	-122.5	5.9	-173.1	-65.8	-75	0	0	0	114	E711 G713 L714 D717 F735 F736 W742	E711-Y740 HydrophobicContact CB-CD1 3.83Å; E711-Y740 HydrophobicContact CB-CE1 4.28Å; E711-Y740 HydrophobicContact CG-CD1 4.49Å; G713-Y740 PolarHBondContact O-OH 2.83Å; L714-Y740 WeakPolarHBondContact CA-OH 3.23Å; L714-Y740 HydrophobicContact CB-CD1 4.3Å; L714-Y740 HydrophobicContact CB-CE1 3.81Å; L714-Y740 HydrophobicContact CB-CE2 4.17Å; L714-Y740 HydrophobicContact CD1-CD2 3.93Å; L714-Y740 HydrophobicContact CD1-CE2 3.66Å; L714-Y740 HydrophobicContact CG-CE2 4.41Å; L714-Y740 PolarHBondContact N-OH 2.96Å; D717-Y740 WeakPolarHBondContact OD2-CE2 3.3Å; D717-Y740 PolarHBondContact OD2-OH 2.92Å; F735-Y740 HydrophobicContact CE1-CD2 4.46Å; F735-Y740 HydrophobicContact CE1-CE2 4.14Å; F736-Y740 CarbonylContact O-C 3.58Å; F736-Y740 WeakPolarHBondContact O-CA 3.29Å; F736-Y740 PolarHBondContact O-N 2.97Å; Y740-W742 PolarHBondContact O-N 3.18Å
741	N	91	Very high	90.3	Very high	147 Å²	147	59.5 Å²	59.5	79%	0.786	30%	0.297	S	S	*	.			trans	55.3	29	-179.1	-60.8	-39.2	0	0	0	114.4	F736 Q737	F736-N741 PolarHBondContact O-N 2.99Å; Q737-N741 VanDerWaalsContact O-CA 3.31Å; Q737-N741 WeakPolarHBondContact O-CA 3.5Å; Q737-N741 PolarHBondContact O-N 2.82Å
742	W	90	Very high	90.5	Very high	14 Å²	14	55.3 Å²	55.3	5%	0.053	28%	0.279	C	S	.	.			trans	-69.9	148.1	176.6	-81.8	30.3	0	0	0	112.6	E711 L714 F736 Y740 L744 A747 I750 I762 V764 K806	E711-W742 PolarHBondContact OE1-NE1 3.49Å; E711-W742 PolarHBondContact OE2-NE1 3.05Å; L714-W742 HydrophobicContact CD2-CZ2 4.1Å; F736-W742 HydrophobicContact CB-CB 4Å; F736-W742 HydrophobicContact CB-CD2 4.3Å; F736-W742 HydrophobicContact CB-CE3 4.38Å; F736-W742 HydrophobicContact CB-CG 4.17Å; F736-W742 AromaticContact CD1-CD2 3.72Å; F736-W742 HydrophobicContact CD1-CD2 3.72Å; F736-W742 AromaticContact CD1-CE2 3.89Å; F736-W742 AromaticContact CD1-CE3 3.85Å; F736-W742 HydrophobicContact CD1-CE3 3.85Å; F736-W742 HydrophobicContact CD1-CG 4.21Å; F736-W742 HydrophobicContact CD1-CH2 4.23Å; F736-W742 HydrophobicContact CD1-CZ2 4.15Å; F736-W742 HydrophobicContact CD1-CZ3 4.11Å; F736-W742 HydrophobicContact CE1-CD2 4.49Å; F736-W742 HydrophobicContact CE1-CE3 4.46Å; F736-W742 HydrophobicContact CE1-CH2 4.09Å; F736-W742 HydrophobicContact CE1-CZ2 4.15Å; F736-W742 HydrophobicContact CE1-CZ3 4.27Å; F736-W742 HydrophobicContact CG-CD2 4.36Å; F736-W742 HydrophobicContact CG-CE3 4.28Å; F736-W742 PolarHBondContact O-N 2.8Å; Y740-W742 PolarHBondContact O-N 3.18Å; W742-L744 PolarHBondContact O-N 3.21Å; W742-A747 HydrophobicContact CB-CB 4.31Å; W742-A747 HydrophobicContact CE3-CB 4.13Å; W742-I750 HydrophobicContact CE3-CD1 4.48Å; W742-I750 HydrophobicContact CZ3-CD1 3.88Å; W742-I750 HydrophobicContact CZ3-CG1 4.05Å; W742-I762 HydrophobicContact CH2-CD1 3.92Å; W742-I762 HydrophobicContact CH2-CG2 4.42Å; W742-I762 HydrophobicContact CZ2-CD1 4.33Å; W742-V764 HydrophobicContact CH2-CG2 4.26Å; W742-V764 HydrophobicContact CZ3-CG2 4.17Å; W742-K806 HydrophobicContact CH2-CD 3.63Å; W742-K806 HydrophobicContact CZ2-CD 3.64Å; W742-K806 VanDerWaalsContact CZ2-CE 3.46Å; W742-K806 VanDerWaalsContact CZ2-NZ 3.33Å
743	D	89.6	Confident	90.7	Very high	131 Å²	131	55.1 Å²	55.1	70%	0.701	28%	0.278	S	S	*	.			trans	-61.8	133.3	166.9	-79.6	-47.1	0	0	0	111.5	L745 A746 A747	D743-L745 PolarHBondContact O-N 3.2Å; D743-L745 VanDerWaalsContact O-N 3.11Å; D743-A746 HydrophobicContact CB-CB 4.48Å; D743-A746 PolarHBondContact O-N 3.46Å; D743-A747 WeakPolarHBondContact O-CB 3.48Å; D743-A747 PolarHBondContact O-N 3.28Å
744	L	85.9	Confident	90.7	Very high	57 Å²	57	55.1 Å²	55.1	30%	0.298	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-23.6	-177.5	-171.9	66.3	0	0	0	113	W742 R748	W742-L744 PolarHBondContact O-N 3.21Å; L744-R748 WeakPolarHBondContact O-CB 3.42Å; L744-R748 VanDerWaalsContact O-CD 3.32Å; L744-R748 WeakPolarHBondContact O-CD 3.32Å; L744-R748 WeakPolarHBondContact O-CG 3.19Å; L744-R748 PolarHBondContact O-N 2.93Å
745	L	85.6	Confident	90.6	Very high	144 Å²	144	51.8 Å²	51.8	75%	0.754	26%	0.263	S	S	*	.	H	α-helix	trans	-71.3	-58	173.7	-66.6	174.9	0	0	0	110.6	D743 A747 R748 S749	D743-L745 PolarHBondContact O-N 3.2Å; D743-L745 VanDerWaalsContact O-N 3.11Å; L745-A747 VanDerWaalsContact C-N 3.31Å; L745-A747 PolarHBondContact O-N 3.48Å; L745-R748 PolarHBondContact O-N 2.9Å; L745-S749 PolarHBondContact O-N 3.18Å; L745-S749 VanDerWaalsContact O-N 3.17Å; L745-S749 PolarHBondContact O-OG 2.89Å
746	A	86.4	Confident	90.3	Very high	19 Å²	19	53.8 Å²	53.8	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-43.2	178.2	0	0	0	0	0	112.1	D743 R748 S749 I750	D743-A746 HydrophobicContact CB-CB 4.48Å; D743-A746 PolarHBondContact O-N 3.46Å; A746-R748 VanDerWaalsContact C-N 3.26Å; A746-R748 PolarHBondContact O-N 3.01Å; A746-S749 PolarHBondContact O-N 3.27Å; A746-I750 PolarHBondContact O-N 3.3Å
747	A	88	Confident	90	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-22.8	178.8	0	0	0	0	0	114.2	F736 W742 D743 L745	F736-A747 HydrophobicContact CB-CB 3.73Å; F736-A747 HydrophobicContact CG-CB 4.41Å; W742-A747 HydrophobicContact CB-CB 4.31Å; W742-A747 HydrophobicContact CE3-CB 4.13Å; D743-A747 WeakPolarHBondContact O-CB 3.48Å; D743-A747 PolarHBondContact O-N 3.28Å; L745-A747 VanDerWaalsContact C-N 3.31Å; L745-A747 PolarHBondContact O-N 3.48Å
748	R	87.6	Confident	89.7	Confident	105 Å²	105	57.3 Å²	57.3	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-87.1	-15.2	172.6	-75.4	174.3	-180	-170.9	3	113.6	L744 L745 A746	L744-R748 WeakPolarHBondContact O-CB 3.42Å; L744-R748 VanDerWaalsContact O-CD 3.32Å; L744-R748 WeakPolarHBondContact O-CD 3.32Å; L744-R748 WeakPolarHBondContact O-CG 3.19Å; L744-R748 PolarHBondContact O-N 2.93Å; L745-R748 PolarHBondContact O-N 2.9Å; A746-R748 VanDerWaalsContact C-N 3.26Å; A746-R748 PolarHBondContact O-N 3.01Å
749	S	90.9	Very high	89.5	Confident	33 Å²	33	52 Å²	52	23%	0.231	27%	0.268	C	S	.	.			trans	-95	8.2	177.7	-61.3	0	0	0	0	113.8	L745 A746 W751 D765	L745-S749 PolarHBondContact O-N 3.18Å; L745-S749 VanDerWaalsContact O-N 3.17Å; L745-S749 PolarHBondContact O-OG 2.89Å; A746-S749 PolarHBondContact O-N 3.27Å; S749-W751 PolarHBondContact O-N 3.5Å; S749-D765 WeakPolarHBondContact CB-O 3.26Å; S749-D765 PolarHBondContact O-N 3.24Å; S749-D765 PolarHBondContact OG-O 3.4Å
750	I	93.7	Very high	89.6	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.046	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	126.5	168.7	-60.5	172.1	0	0	0	108.9	I725 L732 F736 W742 A746 F753 I762 V764	I725-I750 HydrophobicContact CD1-CG2 3.83Å; L732-I750 HydrophobicContact CD2-CB 4.2Å; L732-I750 HydrophobicContact CD2-CD1 4.36Å; L732-I750 HydrophobicContact CG-CD1 4.48Å; F736-I750 HydrophobicContact CD1-CD1 4.33Å; F736-I750 HydrophobicContact CD2-CD1 3.65Å; F736-I750 HydrophobicContact CE1-CD1 4.05Å; F736-I750 HydrophobicContact CE2-CD1 3.34Å; F736-I750 HydrophobicContact CG-CD1 4.15Å; F736-I750 HydrophobicContact CZ-CD1 3.57Å; W742-I750 HydrophobicContact CE3-CD1 4.48Å; W742-I750 HydrophobicContact CZ3-CD1 3.88Å; W742-I750 HydrophobicContact CZ3-CG1 4.05Å; A746-I750 PolarHBondContact O-N 3.3Å; I750-F753 HydrophobicContact CG2-CE1 4.09Å; I750-I762 HydrophobicContact CB-CG2 4.5Å; I750-I762 HydrophobicContact CD1-CG2 4.44Å; I750-I762 HydrophobicContact CG1-CG2 4.12Å; I750-I762 HydrophobicContact CG2-CG2 3.76Å; I750-V764 HydrophobicContact CG1-CG2 4.29Å
751	W	92.8	Very high	89.8	Confident	23 Å²	23	45.6 Å²	45.6	9%	0.087	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-43.3	-177	-83	18.1	0	0	0	113.5	S749 L763 D765 L777 K781 V784 V785 L809	S749-W751 PolarHBondContact O-N 3.5Å; W751-L763 HydrophobicContact CB-CD2 4.2Å; W751-L763 HydrophobicContact CB-CG 4.29Å; W751-L763 HydrophobicContact CE3-CD2 3.9Å; W751-L763 PolarHBondContact N-O 2.69Å; W751-D765 HydrophobicContact CD2-CB 4.36Å; W751-D765 HydrophobicContact CZ2-CB 3.77Å; W751-L777 HydrophobicContact CH2-CD1 3.75Å; W751-L777 HydrophobicContact CH2-CD2 4.16Å; W751-L777 HydrophobicContact CH2-CG 3.73Å; W751-L777 HydrophobicContact CZ2-CD1 4.35Å; W751-L777 HydrophobicContact CZ2-CD2 3.91Å; W751-L777 HydrophobicContact CZ2-CG 3.87Å; W751-K781 HydrophobicContact CD2-CD 4.32Å; W751-K781 HydrophobicContact CD2-CG 3.67Å; W751-K781 HydrophobicContact CE3-CG 3.56Å; W751-K781 HydrophobicContact CG-CG 4.35Å; W751-K781 HydrophobicContact CH2-CB 4.37Å; W751-K781 HydrophobicContact CH2-CG 4.02Å; W751-K781 HydrophobicContact CZ2-CG 4.13Å; W751-K781 HydrophobicContact CZ3-CB 4.28Å; W751-K781 HydrophobicContact CZ3-CG 3.74Å; W751-K781 PolarHBondContact O-NZ 3.27Å; W751-V784 HydrophobicContact CZ3-CB 4.06Å; W751-V784 HydrophobicContact CZ3-CG1 4.06Å; W751-V785 HydrophobicContact CB-CG2 4.31Å; W751-V785 HydrophobicContact CE3-CG2 4.33Å; W751-L809 HydrophobicContact CH2-CD2 3.9Å; W751-L809 HydrophobicContact CZ3-CD2 4.26Å
752	A	94.2	Very high	90.1	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	160.9	-174.8	0	0	0	0	0	111.4	L763 V785	A752-L763 PolarHBondContact O-N 3.29Å; A752-V785 HydrophobicContact CB-CB 4.33Å; A752-V785 HydrophobicContact CB-CG1 3.56Å; A752-V785 HydrophobicContact CB-CG2 3.86Å
753	F	94.9	Very high	90.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	158	160.1	-59.2	-36.7	0	0	0	109.8	I718 V723 I725 F736 I750 D756 N761 I762 Q789	I718-F753 HydrophobicContact CD1-CD1 4.24Å; I718-F753 HydrophobicContact CD1-CE1 4.08Å; I718-F753 HydrophobicContact CD1-CZ 4.36Å; I718-F753 HydrophobicContact CG1-CE1 4.34Å; I718-F753 HydrophobicContact CG1-CE2 4.27Å; I718-F753 HydrophobicContact CG1-CZ 4.12Å; I718-F753 HydrophobicContact CG2-CB 4.43Å; I718-F753 HydrophobicContact CG2-CD2 3.62Å; I718-F753 HydrophobicContact CG2-CE2 3.93Å; I718-F753 HydrophobicContact CG2-CG 3.98Å; V723-F753 HydrophobicContact CG1-CE2 4.2Å; V723-F753 HydrophobicContact CG1-CZ 4.09Å; V723-F753 HydrophobicContact CG2-CZ 4.26Å; I725-F753 HydrophobicContact CB-CD2 4.22Å; I725-F753 HydrophobicContact CB-CE2 4.31Å; F736-F753 HydrophobicContact CZ-CE1 4.35Å; F736-F753 HydrophobicContact CZ-CZ 4.32Å; I750-F753 HydrophobicContact CG2-CE1 4.09Å; F753-D756 CarbonylContact C-O 3.58Å; F753-D756 VanDerWaalsContact C-O 3.26Å; F753-N761 VanDerWaalsContact CA-O 3.22Å; F753-N761 WeakPolarHBondContact CA-O 3.46Å; F753-I762 HydrophobicContact CD1-CB 4.45Å; F753-I762 HydrophobicContact CD1-CG1 3.93Å; F753-I762 HydrophobicContact CD1-CG2 4.4Å; F753-I762 HydrophobicContact CE1-CD1 4.14Å; F753-I762 HydrophobicContact CE1-CG1 3.89Å; F753-I762 HydrophobicContact CE1-CG2 4.28Å; F753-Q789 PolarHBondContact O-NE2 3.01Å
754	G	89	Confident	90.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.4	-177.6	0	0	0	0	0	112.7	D756 G759 N761	G754-D756 PolarHBondContact N-O 2.87Å; G754-G759 CarbonylContact O-C 3.56Å; G754-G759 VanDerWaalsContact O-CA 3.26Å; G754-G759 WeakPolarHBondContact O-CA 3.35Å; G754-N761 PolarHBondContact N-O 2.9Å; G754-N761 VanDerWaalsContact N-O 3.14Å; G754-N761 WeakPolarHBondContact O-CB 3.06Å; G754-N761 PolarHBondContact O-N 2.74Å; G754-N761 PolarHBondContact O-ND2 3.45Å
755	P	90.2	Very high	91	Very high	14 Å²	14	29.8 Å²	29.8	9%	0.091	16%	0.159	C	C	.	.	S	Bend	cis	-70.8	-27.8	6.9	27.8	-35	0	0	0	115	Q789 R793	P755-Q789 WeakPolarHBondContact O-CB 3.47Å; P755-Q789 VanDerWaalsContact O-CG 3.27Å; P755-Q789 WeakPolarHBondContact O-CG 3.39Å; P755-R793 HydrophobicContact CB-CB 3.69Å; P755-R793 HydrophobicContact CB-CG 4.28Å
756	D	86.7	Confident	91.3	Very high	82 Å²	82	26.2 Å²	26.2	44%	0.439	14%	0.141	S	C	.	.	S	Bend	trans	-115.6	178	178.5	-44.5	-56.5	0	0	0	110.3	F753 G754 V758 G759 R793	F753-D756 CarbonylContact C-O 3.58Å; F753-D756 VanDerWaalsContact C-O 3.26Å; G754-D756 PolarHBondContact N-O 2.87Å; D756-V758 PolarHBondContact O-N 3.05Å; D756-G759 PolarHBondContact O-N 3.12Å; D756-R793 IonicContact OD1-CZ 2.75Å; D756-R793 IonicContact OD1-NE 2.77Å; D756-R793 IonicContact OD1-NH2 3.74Å; D756-R793 PolarHBondContact OD1-NH2 3.04Å
757	N	84.8	Confident	91.5	Very high	105 Å²	105	25.7 Å²	25.7	56%	0.561	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-7.4	-178.9	-69.1	-31	0	0	0	115.1	I725 Q789	I725-N757 HydrophobicContact CG2-CB 4.47Å; N757-Q789 PolarHBondContact OD1-NE2 3.22Å
758	V	86.3	Confident	91.5	Very high	58 Å²	58	30.1 Å²	30.1	35%	0.352	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	17.6	177.6	-156.1	0	0	0	0	110.8	I718 E721 D756	I718-V758 WeakPolarHBondContact O-CG1 3.48Å; E721-V758 HydrophobicContact CG-CG1 3.56Å; D756-V758 PolarHBondContact O-N 3.05Å
759	G	88.6	Confident	91.2	Very high	4 Å²	4	29.8 Å²	29.8	4%	0.041	17%	0.17	C	C	.	.			trans	-80	153.3	-175.8	0	0	0	0	0	113.9	I718 G754 D756 N761	I718-G759 VanDerWaalsContact CG2-O 3.29Å; I718-G759 WeakPolarHBondContact CG2-O 3.09Å; G754-G759 CarbonylContact O-C 3.56Å; G754-G759 VanDerWaalsContact O-CA 3.26Å; G754-G759 WeakPolarHBondContact O-CA 3.35Å; D756-G759 PolarHBondContact O-N 3.12Å; G759-N761 PolarHBondContact O-N 3.29Å
760	P	94.2	Very high	91	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.065	19%	0.194	C	C	.	.	S	Bend	trans	-79.4	27.9	-169.3	34.4	-39.2	0	0	0	115.3	L710 A715 E719 R803 N804	L710-P760 VanDerWaalsContact CD1-O 3.3Å; L710-P760 WeakPolarHBondContact CD1-O 3.4Å; A715-P760 HydrophobicContact CB-CB 3.71Å; E719-P760 HydrophobicContact CG-CB 4.18Å; P760-R803 HydrophobicContact CB-CB 4.39Å; P760-R803 HydrophobicContact CB-CG 3.98Å; P760-R803 HydrophobicContact CG-CB 3.78Å; P760-R803 HydrophobicContact CG-CG 3.84Å; P760-N804 PolarHBondContact O-N 2.97Å
761	N	96.2	Very high	90.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.8	178.7	-52.6	-65.6	0	0	0	110.8	F753 G754 G759 F788 I802 R803 N804 V805	F753-N761 VanDerWaalsContact CA-O 3.22Å; F753-N761 WeakPolarHBondContact CA-O 3.46Å; G754-N761 PolarHBondContact N-O 2.9Å; G754-N761 VanDerWaalsContact N-O 3.14Å; G754-N761 WeakPolarHBondContact O-CB 3.06Å; G754-N761 PolarHBondContact O-N 2.74Å; G754-N761 PolarHBondContact O-ND2 3.45Å; G759-N761 PolarHBondContact O-N 3.29Å; N761-F788 HydrophobicContact CB-CE2 4.4Å; N761-F788 HydrophobicContact CB-CZ 3.98Å; N761-I802 PolarHBondContact ND2-O 2.84Å; N761-R803 VanDerWaalsContact OD1-C 3.24Å; N761-R803 WeakPolarHBondContact OD1-CA 3.46Å; N761-R803 PolarHBondContact OD1-N 3.09Å; N761-N804 PolarHBondContact OD1-N 2.96Å; N761-V805 WeakPolarHBondContact CA-O 3.46Å; N761-V805 VanDerWaalsContact CB-O 3.3Å; N761-V805 WeakPolarHBondContact CB-O 3.33Å; N761-V805 PolarHBondContact OD1-N 3.41Å
762	I	95.7	Very high	90.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132	-178.2	-51.9	-175.4	0	0	0	110.7	L710 L714 I718 F736 W742 I750 F753 V764 V805 K806 F807	L710-I762 HydrophobicContact CD1-CG1 4.11Å; L710-I762 HydrophobicContact CD2-CB 4.33Å; L710-I762 HydrophobicContact CD2-CD1 3.59Å; L710-I762 HydrophobicContact CD2-CG1 3.82Å; L714-I762 HydrophobicContact CD2-CD1 3.92Å; L714-I762 HydrophobicContact CG-CD1 4.3Å; I718-I762 HydrophobicContact CD1-CD1 4.01Å; I718-I762 HydrophobicContact CD1-CG1 3.91Å; F736-I762 HydrophobicContact CE1-CD1 3.67Å; F736-I762 HydrophobicContact CZ-CD1 3.79Å; W742-I762 HydrophobicContact CH2-CD1 3.92Å; W742-I762 HydrophobicContact CH2-CG2 4.42Å; W742-I762 HydrophobicContact CZ2-CD1 4.33Å; I750-I762 HydrophobicContact CB-CG2 4.5Å; I750-I762 HydrophobicContact CD1-CG2 4.44Å; I750-I762 HydrophobicContact CG1-CG2 4.12Å; I750-I762 HydrophobicContact CG2-CG2 3.76Å; F753-I762 HydrophobicContact CD1-CB 4.45Å; F753-I762 HydrophobicContact CD1-CG1 3.93Å; F753-I762 HydrophobicContact CD1-CG2 4.4Å; F753-I762 HydrophobicContact CE1-CD1 4.14Å; F753-I762 HydrophobicContact CE1-CG1 3.89Å; F753-I762 HydrophobicContact CE1-CG2 4.28Å; I762-V764 HydrophobicContact CG2-CG2 3.71Å; I762-V805 PolarHBondContact N-O 2.76Å; I762-K806 CarbonylContact O-C 3.57Å; I762-K806 WeakPolarHBondContact O-CA 3.44Å; I762-F807 PolarHBondContact O-N 3.21Å
763	L	96.1	Very high	90.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.6	165.4	-178.9	65.9	0	0	0	110.4	M705 W751 A752 V784 V785 F788 F807	M705-L763 HydrophobicContact CE-CD1 4.28Å; W751-L763 HydrophobicContact CB-CD2 4.2Å; W751-L763 HydrophobicContact CB-CG 4.29Å; W751-L763 HydrophobicContact CE3-CD2 3.9Å; W751-L763 PolarHBondContact N-O 2.69Å; A752-L763 PolarHBondContact O-N 3.29Å; L763-V784 HydrophobicContact CD2-CG1 4.25Å; L763-V785 HydrophobicContact CD2-CG2 4.17Å; L763-F788 HydrophobicContact CB-CD1 3.7Å; L763-F788 HydrophobicContact CB-CD2 4.44Å; L763-F788 HydrophobicContact CB-CE1 3.67Å; L763-F788 HydrophobicContact CB-CE2 4.44Å; L763-F788 HydrophobicContact CB-CG 4.09Å; L763-F788 HydrophobicContact CB-CZ 4.06Å; L763-F788 HydrophobicContact CD1-CG 4.44Å; L763-F788 HydrophobicContact CD2-CB 4.05Å; L763-F788 HydrophobicContact CD2-CD1 3.97Å; L763-F788 HydrophobicContact CD2-CG 4.05Å; L763-F788 HydrophobicContact CG-CD1 4.37Å; L763-F788 HydrophobicContact CG-CG 4.43Å; L763-F807 WeakPolarHBondContact CA-O 3.36Å; L763-F807 HydrophobicContact CD1-CB 4Å
764	V	94.8	Very high	89.8	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135	-178.7	-173.7	0	0	0	0	110.6	W742 I750 I762 K806 F807 K808 L809	W742-V764 HydrophobicContact CH2-CG2 4.26Å; W742-V764 HydrophobicContact CZ3-CG2 4.17Å; I750-V764 HydrophobicContact CG1-CG2 4.29Å; I762-V764 HydrophobicContact CG2-CG2 3.71Å; V764-K806 HydrophobicContact CG2-CG 4.26Å; V764-F807 PolarHBondContact N-O 2.84Å; V764-K808 HydrophobicContact CB-CG 4.36Å; V764-K808 WeakPolarHBondContact O-CA 3.32Å; V764-L809 PolarHBondContact O-N 3.44Å
765	D	94.3	Very high	89.8	Confident	16 Å²	16	49.8 Å²	49.8	9%	0.086	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	105.8	167.1	166.8	29.7	0	0	0	110.6	S749 W751 T767 K774	S749-D765 WeakPolarHBondContact CB-O 3.26Å; S749-D765 PolarHBondContact O-N 3.24Å; S749-D765 PolarHBondContact OG-O 3.4Å; W751-D765 HydrophobicContact CD2-CB 4.36Å; W751-D765 HydrophobicContact CZ2-CB 3.77Å; D765-T767 WeakPolarHBondContact OD1-CB 3.09Å; D765-T767 WeakPolarHBondContact OD1-CG2 3.4Å; D765-T767 PolarHBondContact OD1-N 2.75Å; D765-T767 PolarHBondContact OD1-OG1 3.2Å; D765-K774 IonicContact OD1-NZ 3.69Å; D765-K774 PolarHBondContact OD1-NZ 3.08Å; D765-K774 IonicContact OD2-NZ 2.81Å; D765-K774 PolarHBondContact OD2-NZ 2.62Å
766	D	92.2	Very high	89.7	Confident	70 Å²	70	50.7 Å²	50.7	37%	0.374	29%	0.285	S	S	.	.			trans	-107.6	18.3	177.2	-144.4	8.9	0	0	0	110.7	K808 L809 L810	D766-K808 HydrophobicContact CB-CB 4.26Å; D766-K808 HydrophobicContact CB-CG 4.39Å; D766-K808 WeakPolarHBondContact OD2-CE 3.34Å; D766-K808 IonicContact OD2-NZ 2.77Å; D766-L809 CarbonylContact C-O 3.55Å; D766-L809 WeakPolarHBondContact CA-O 3.43Å; D766-L809 PolarHBondContact N-O 2.77Å; D766-L810 HydrophobicContact CB-CD2 4.16Å
767	T	90.7	Very high	90	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.049	26%	0.264	C	S	.	.			trans	-78.4	137.2	-178.7	69	0	0	0	0	111.2	D765 V772 K774 L777 L809	D765-T767 WeakPolarHBondContact OD1-CB 3.09Å; D765-T767 WeakPolarHBondContact OD1-CG2 3.4Å; D765-T767 PolarHBondContact OD1-N 2.75Å; D765-T767 PolarHBondContact OD1-OG1 3.2Å; T767-V772 HydrophobicContact CG2-CG2 4.23Å; T767-K774 WeakPolarHBondContact O-CE 3.24Å; T767-K774 PolarHBondContact O-NZ 3.24Å; T767-K774 PolarHBondContact OG1-NZ 3.38Å; T767-L777 HydrophobicContact CG2-CD2 4.4Å; T767-L777 WeakPolarHBondContact OG1-CD2 3.4Å; T767-L809 HydrophobicContact CG2-CB 4.38Å; T767-L809 HydrophobicContact CG2-CD2 4.18Å; T767-L809 HydrophobicContact CG2-CG 3.9Å; T767-L809 VanDerWaalsContact CG2-O 3.28Å; T767-L809 WeakPolarHBondContact CG2-O 3.37Å; T767-L809 PolarHBondContact N-O 3.41Å
768	L	87.4	Confident	90.2	Very high	92 Å²	92	45.7 Å²	45.7	48%	0.482	26%	0.264	S	S	.	.			trans	-77.8	133.1	178.2	-71.3	172.9	0	0	0	111.3	S770 E771 V772	L768-S770 PolarHBondContact O-N 3.28Å; L768-E771 HydrophobicContact CB-CB 4.43Å; L768-E771 HydrophobicContact CB-CG 4.22Å; L768-E771 PolarHBondContact O-N 3.07Å; L768-V772 PolarHBondContact O-N 3.36Å
769	P	81.5	Confident	90.5	Very high	99 Å²	99	46 Å²	46	64%	0.643	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.4	176.8	-22	32.5	0	0	0	115.2	K774	P769-K774 HydrophobicContact CB-CG 4.31Å
770	S	86.3	Confident	90.6	Very high	105 Å²	105	46 Å²	46	73%	0.734	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.9	174.2	48.2	0	0	0	0	113.7	L768	L768-S770 PolarHBondContact O-N 3.28Å
771	E	86.1	Confident	90.6	Very high	132 Å²	132	47.9 Å²	47.9	62%	0.617	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-45.9	-175.4	-64	174.7	168.6	0	0	110.3	L768	L768-E771 HydrophobicContact CB-CB 4.43Å; L768-E771 HydrophobicContact CB-CG 4.22Å; L768-E771 PolarHBondContact O-N 3.07Å
772	V	86.2	Confident	90.5	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	31%	0.305	C	S	.	.	S	Bend	trans	-109.9	129.6	-177.1	179.8	0	0	0	0	111.4	T767 L768 K774 L777 D811 A812	T767-V772 HydrophobicContact CG2-CG2 4.23Å; L768-V772 PolarHBondContact O-N 3.36Å; V772-K774 PolarHBondContact O-N 3.11Å; V772-L777 HydrophobicContact CG1-CB 4.07Å; V772-L777 HydrophobicContact CG1-CD1 4.43Å; V772-L777 HydrophobicContact CG1-CD2 4.01Å; V772-L777 HydrophobicContact CG1-CG 4.39Å; V772-D811 WeakPolarHBondContact CG2-OD1 3.5Å; V772-A812 HydrophobicContact CG1-CB 4.12Å
773	N	89.1	Confident	90.4	Very high	87 Å²	87	53.8 Å²	53.8	47%	0.465	31%	0.312	S	S	.	.			trans	-69.6	101.8	173.9	-173.8	-3	0	0	0	111.1	T775 L776 L777	N773-T775 PolarHBondContact O-N 3.36Å; N773-T775 VanDerWaalsContact O-N 3.11Å; N773-T775 PolarHBondContact OD1-N 3.31Å; N773-T775 PolarHBondContact OD1-OG1 3.3Å; N773-L776 HydrophobicContact CB-CB 4.47Å; N773-L776 HydrophobicContact CB-CD1 4.22Å; N773-L776 HydrophobicContact CB-CG 4.43Å; N773-L776 PolarHBondContact O-N 3.4Å; N773-L777 PolarHBondContact O-N 3.03Å
774	K	88.8	Confident	90.4	Very high	59 Å²	59	53.8 Å²	53.8	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-22.9	-175.7	-68.4	-64.4	-168.4	-178.4	0	114.7	D765 T767 P769 V772 L777 S778	D765-K774 IonicContact OD1-NZ 3.69Å; D765-K774 PolarHBondContact OD1-NZ 3.08Å; D765-K774 IonicContact OD2-NZ 2.81Å; D765-K774 PolarHBondContact OD2-NZ 2.62Å; T767-K774 WeakPolarHBondContact O-CE 3.24Å; T767-K774 PolarHBondContact O-NZ 3.24Å; T767-K774 PolarHBondContact OG1-NZ 3.38Å; P769-K774 HydrophobicContact CB-CG 4.31Å; V772-K774 PolarHBondContact O-N 3.11Å; K774-L777 HydrophobicContact CD-CD2 4.04Å; K774-S778 WeakPolarHBondContact O-CB 3.39Å; K774-S778 PolarHBondContact O-N 3.44Å; K774-S778 PolarHBondContact O-OG 3.07Å
775	T	89.5	Confident	90.5	Very high	102 Å²	102	54.5 Å²	54.5	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-75.1	-45.6	176	55.2	0	0	0	0	111.8	N773 L777 S778 A779	N773-T775 PolarHBondContact O-N 3.36Å; N773-T775 VanDerWaalsContact O-N 3.11Å; N773-T775 PolarHBondContact OD1-N 3.31Å; N773-T775 PolarHBondContact OD1-OG1 3.3Å; T775-L777 VanDerWaalsContact C-N 3.33Å; T775-S778 PolarHBondContact O-N 2.86Å; T775-A779 PolarHBondContact O-N 2.87Å; T775-A779 VanDerWaalsContact O-N 3.12Å
776	L	89.2	Confident	90.5	Very high	32 Å²	32	58.9 Å²	58.9	17%	0.168	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-41.2	172.4	-65.6	176.8	0	0	0	111.1	N773 S778 A779 I780 I814 E816	N773-L776 HydrophobicContact CB-CB 4.47Å; N773-L776 HydrophobicContact CB-CD1 4.22Å; N773-L776 HydrophobicContact CB-CG 4.43Å; N773-L776 PolarHBondContact O-N 3.4Å; L776-S778 VanDerWaalsContact C-N 3.31Å; L776-S778 PolarHBondContact O-N 2.88Å; L776-A779 WeakPolarHBondContact O-CB 3.35Å; L776-A779 PolarHBondContact O-N 2.99Å; L776-A779 VanDerWaalsContact O-N 3.13Å; L776-I780 PolarHBondContact O-N 2.77Å; L776-I814 HydrophobicContact CB-CB 4.26Å; L776-I814 HydrophobicContact CB-CD1 4.16Å; L776-I814 HydrophobicContact CB-CG2 4.31Å; L776-E816 HydrophobicContact CD1-CG 4.43Å
777	L	91.4	Very high	90.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-39.9	175.4	-173.1	63.1	0	0	0	112.5	W751 T767 V772 N773 K774 T775 A779 I780 K781 L809 A812 I814	W751-L777 HydrophobicContact CH2-CD1 3.75Å; W751-L777 HydrophobicContact CH2-CD2 4.16Å; W751-L777 HydrophobicContact CH2-CG 3.73Å; W751-L777 HydrophobicContact CZ2-CD1 4.35Å; W751-L777 HydrophobicContact CZ2-CD2 3.91Å; W751-L777 HydrophobicContact CZ2-CG 3.87Å; T767-L777 HydrophobicContact CG2-CD2 4.4Å; T767-L777 WeakPolarHBondContact OG1-CD2 3.4Å; V772-L777 HydrophobicContact CG1-CB 4.07Å; V772-L777 HydrophobicContact CG1-CD1 4.43Å; V772-L777 HydrophobicContact CG1-CD2 4.01Å; V772-L777 HydrophobicContact CG1-CG 4.39Å; N773-L777 PolarHBondContact O-N 3.03Å; K774-L777 HydrophobicContact CD-CD2 4.04Å; T775-L777 VanDerWaalsContact C-N 3.33Å; L777-A779 VanDerWaalsContact C-N 3.29Å; L777-A779 PolarHBondContact O-N 3.06Å; L777-I780 HydrophobicContact CD1-CD1 4.34Å; L777-I780 HydrophobicContact CD1-CG1 4.41Å; L777-I780 WeakPolarHBondContact O-CG1 3.44Å; L777-I780 PolarHBondContact O-N 3.39Å; L777-K781 PolarHBondContact O-N 3.48Å; L777-L809 HydrophobicContact CD1-CD2 3.75Å; L777-A812 HydrophobicContact CD1-CB 3.73Å; L777-I814 HydrophobicContact CB-CD1 4.2Å; L777-I814 HydrophobicContact CD1-CD1 4.06Å
778	S	90.3	Very high	90.8	Very high	81 Å²	81	55.2 Å²	55.2	57%	0.566	32%	0.317	S	S	*	.	H	α-helix	trans	-67.5	-29.8	176.6	-60.9	0	0	0	0	112.6	K774 T775 L776 K781	K774-S778 WeakPolarHBondContact O-CB 3.39Å; K774-S778 PolarHBondContact O-N 3.44Å; K774-S778 PolarHBondContact O-OG 3.07Å; T775-S778 PolarHBondContact O-N 2.86Å; L776-S778 VanDerWaalsContact C-N 3.31Å; L776-S778 PolarHBondContact O-N 2.88Å; S778-K781 WeakPolarHBondContact O-CB 3.35Å; S778-K781 PolarHBondContact O-N 3.27Å
779	A	91.1	Very high	91.2	Very high	66 Å²	66	52.6 Å²	52.6	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-69.1	-36.1	177.9	0	0	0	0	0	112.7	T775 L776 L777	T775-A779 PolarHBondContact O-N 2.87Å; T775-A779 VanDerWaalsContact O-N 3.12Å; L776-A779 WeakPolarHBondContact O-CB 3.35Å; L776-A779 PolarHBondContact O-N 2.99Å; L776-A779 VanDerWaalsContact O-N 3.13Å; L777-A779 VanDerWaalsContact C-N 3.29Å; L777-A779 PolarHBondContact O-N 3.06Å
780	I	92.6	Very high	91.8	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-88.3	-6.4	177	67.7	163.3	0	0	0	113.9	L703 L776 L777 D782 S783 V784 I814 H821 V826	L703-I780 HydrophobicContact CD2-CD1 3.9Å; L776-I780 PolarHBondContact O-N 2.77Å; L777-I780 HydrophobicContact CD1-CD1 4.34Å; L777-I780 HydrophobicContact CD1-CG1 4.41Å; L777-I780 WeakPolarHBondContact O-CG1 3.44Å; L777-I780 PolarHBondContact O-N 3.39Å; I780-D782 VanDerWaalsContact C-N 3.32Å; I780-D782 PolarHBondContact O-N 2.82Å; I780-S783 WeakPolarHBondContact O-CB 3.5Å; I780-S783 PolarHBondContact O-N 2.7Å; I780-V784 HydrophobicContact CD1-CG2 3.85Å; I780-V784 HydrophobicContact CG1-CG2 4.12Å; I780-V784 PolarHBondContact O-N 2.74Å; I780-I814 HydrophobicContact CD1-CD1 3.45Å; I780-I814 VanDerWaalsContact CD1-CD1 3.45Å; I780-I814 HydrophobicContact CD1-CG1 3.86Å; I780-I814 HydrophobicContact CG1-CD1 3.82Å; I780-I814 HydrophobicContact CG2-CG2 4.04Å; I780-H821 HydrophobicContact CG2-CB 3.81Å; I780-V826 HydrophobicContact CB-CG1 4.37Å; I780-V826 HydrophobicContact CD1-CG1 4.46Å; I780-V826 HydrophobicContact CG2-CG2 4.27Å
781	K	93.8	Very high	92.2	Very high	51 Å²	51	47.6 Å²	47.6	22%	0.222	25%	0.254	C	S	.	.	H	α-helix	trans	-48.8	-50.7	-169.7	-171.2	-152.7	170.4	-133	0	112.6	W751 L777 S778 S783 V784 V785	W751-K781 HydrophobicContact CD2-CD 4.32Å; W751-K781 HydrophobicContact CD2-CG 3.67Å; W751-K781 HydrophobicContact CE3-CG 3.56Å; W751-K781 HydrophobicContact CG-CG 4.35Å; W751-K781 HydrophobicContact CH2-CB 4.37Å; W751-K781 HydrophobicContact CH2-CG 4.02Å; W751-K781 HydrophobicContact CZ2-CG 4.13Å; W751-K781 HydrophobicContact CZ3-CB 4.28Å; W751-K781 HydrophobicContact CZ3-CG 3.74Å; W751-K781 PolarHBondContact O-NZ 3.27Å; L777-K781 PolarHBondContact O-N 3.48Å; S778-K781 WeakPolarHBondContact O-CB 3.35Å; S778-K781 PolarHBondContact O-N 3.27Å; K781-S783 VanDerWaalsContact C-N 3.31Å; K781-S783 PolarHBondContact O-N 3.35Å; K781-V784 PolarHBondContact O-N 2.75Å; K781-V785 WeakPolarHBondContact O-CG2 3.4Å; K781-V785 PolarHBondContact O-N 2.81Å
782	D	93.1	Very high	92.6	Very high	102 Å²	102	41.3 Å²	41.3	55%	0.545	23%	0.225	S	C	.	.	H	α-helix	trans	-71	-29.5	-174.3	-59.1	-29.2	0	0	0	111.9	I780 V785 Q786	I780-D782 VanDerWaalsContact C-N 3.32Å; I780-D782 PolarHBondContact O-N 2.82Å; D782-V785 PolarHBondContact O-N 2.74Å; D782-Q786 WeakPolarHBondContact O-CB 3.14Å; D782-Q786 VanDerWaalsContact O-CG 3.27Å; D782-Q786 WeakPolarHBondContact O-CG 3.3Å; D782-Q786 PolarHBondContact O-N 2.95Å
783	S	95	Very high	93	Very high	21 Å²	21	47.6 Å²	47.6	15%	0.147	25%	0.249	C	C	.	.	H	α-helix	trans	-69.4	-37.2	171	-64	0	0	0	0	112.3	I780 K781 G787 G823 I827	I780-S783 WeakPolarHBondContact O-CB 3.5Å; I780-S783 PolarHBondContact O-N 2.7Å; K781-S783 VanDerWaalsContact C-N 3.31Å; K781-S783 PolarHBondContact O-N 3.35Å; S783-G787 PolarHBondContact O-N 3.11Å; S783-G823 WeakPolarHBondContact OG-CA 3.19Å; S783-I827 WeakPolarHBondContact O-CG1 3.45Å
784	V	95.7	Very high	93	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.3	-41.1	173.5	179.2	0	0	0	0	110.8	L703 M705 W751 L763 I780 K781 G787 F788 V826 A830	L703-V784 HydrophobicContact CD1-CG2 4.09Å; M705-V784 HydrophobicContact CE-CG1 3.76Å; W751-V784 HydrophobicContact CZ3-CB 4.06Å; W751-V784 HydrophobicContact CZ3-CG1 4.06Å; L763-V784 HydrophobicContact CD2-CG1 4.25Å; I780-V784 HydrophobicContact CD1-CG2 3.85Å; I780-V784 HydrophobicContact CG1-CG2 4.12Å; I780-V784 PolarHBondContact O-N 2.74Å; K781-V784 PolarHBondContact O-N 2.75Å; V784-G787 PolarHBondContact O-N 3.09Å; V784-F788 WeakPolarHBondContact O-CB 3.37Å; V784-F788 PolarHBondContact O-N 3.31Å; V784-V826 HydrophobicContact CG2-CG1 3.74Å; V784-A830 HydrophobicContact CB-CB 4.48Å; V784-A830 HydrophobicContact CG1-CB 4.26Å
785	V	95.5	Very high	93.1	Very high	16 Å²	16	43.4 Å²	43.4	10%	0.097	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-46.7	175.5	168.5	0	0	0	0	111.3	W751 A752 L763 K781 D782 G787 F788 Q789	W751-V785 HydrophobicContact CB-CG2 4.31Å; W751-V785 HydrophobicContact CE3-CG2 4.33Å; A752-V785 HydrophobicContact CB-CB 4.33Å; A752-V785 HydrophobicContact CB-CG1 3.56Å; A752-V785 HydrophobicContact CB-CG2 3.86Å; L763-V785 HydrophobicContact CD2-CG2 4.17Å; K781-V785 WeakPolarHBondContact O-CG2 3.4Å; K781-V785 PolarHBondContact O-N 2.81Å; D782-V785 PolarHBondContact O-N 2.74Å; V785-G787 PolarHBondContact O-N 3.49Å; V785-F788 PolarHBondContact O-N 2.84Å; V785-Q789 HydrophobicContact CG1-CG 4.33Å; V785-Q789 WeakPolarHBondContact O-CB 3.43Å; V785-Q789 WeakPolarHBondContact O-CG 3.37Å; V785-Q789 PolarHBondContact O-N 2.73Å
786	Q	94.5	Very high	93.3	Very high	108 Å²	108	38.7 Å²	38.7	51%	0.505	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-45.2	175.9	-74.1	172	23.1	0	0	111.9	D782 F788 Q789 W790 I827	D782-Q786 WeakPolarHBondContact O-CB 3.14Å; D782-Q786 VanDerWaalsContact O-CG 3.27Å; D782-Q786 WeakPolarHBondContact O-CG 3.3Å; D782-Q786 PolarHBondContact O-N 2.95Å; Q786-F788 PolarHBondContact O-N 3.49Å; Q786-Q789 PolarHBondContact O-N 2.74Å; Q786-W790 WeakPolarHBondContact O-CB 3.24Å; Q786-W790 PolarHBondContact O-N 2.69Å; Q786-I827 HydrophobicContact CB-CD1 4.37Å; Q786-I827 HydrophobicContact CB-CG1 4.24Å; Q786-I827 VanDerWaalsContact OE1-CD1 3.25Å
787	G	94.9	Very high	93.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-38.8	176.2	0	0	0	0	0	113.6	S783 V784 V785 A791	S783-G787 PolarHBondContact O-N 3.11Å; V784-G787 PolarHBondContact O-N 3.09Å; V785-G787 PolarHBondContact O-N 3.49Å; G787-A791 VanDerWaalsContact O-CB 3.29Å; G787-A791 WeakPolarHBondContact O-CB 3.15Å; G787-A791 PolarHBondContact O-N 3.09Å
788	F	95.8	Very high	93.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-43.6	175.1	159.4	-108.1	0	0	0	113	N761 L763 V784 V785 Q786 A791 S792 F807	N761-F788 HydrophobicContact CB-CE2 4.4Å; N761-F788 HydrophobicContact CB-CZ 3.98Å; L763-F788 HydrophobicContact CB-CD1 3.7Å; L763-F788 HydrophobicContact CB-CD2 4.44Å; L763-F788 HydrophobicContact CB-CE1 3.67Å; L763-F788 HydrophobicContact CB-CE2 4.44Å; L763-F788 HydrophobicContact CB-CG 4.09Å; L763-F788 HydrophobicContact CB-CZ 4.06Å; L763-F788 HydrophobicContact CD1-CG 4.44Å; L763-F788 HydrophobicContact CD2-CB 4.05Å; L763-F788 HydrophobicContact CD2-CD1 3.97Å; L763-F788 HydrophobicContact CD2-CG 4.05Å; L763-F788 HydrophobicContact CG-CD1 4.37Å; L763-F788 HydrophobicContact CG-CG 4.43Å; V784-F788 WeakPolarHBondContact O-CB 3.37Å; V784-F788 PolarHBondContact O-N 3.31Å; V785-F788 PolarHBondContact O-N 2.84Å; Q786-F788 PolarHBondContact O-N 3.49Å; F788-A791 PolarHBondContact O-N 3.27Å; F788-S792 WeakPolarHBondContact CE2-OG 2.94Å; F788-S792 WeakPolarHBondContact O-CB 3.39Å; F788-S792 PolarHBondContact O-N 3.23Å; F788-S792 PolarHBondContact O-OG 2.95Å; F788-F807 AromaticContact CD2-CD2 4Å; F788-F807 HydrophobicContact CD2-CD2 4Å; F788-F807 HydrophobicContact CD2-CE2 4.45Å; F788-F807 HydrophobicContact CD2-CG 4.35Å; F788-F807 HydrophobicContact CE2-CB 4.48Å; F788-F807 AromaticContact CE2-CD2 3.42Å; F788-F807 HydrophobicContact CE2-CD2 3.42Å; F788-F807 VanDerWaalsContact CE2-CD2 3.42Å; F788-F807 AromaticContact CE2-CE2 3.87Å; F788-F807 HydrophobicContact CE2-CE2 3.87Å; F788-F807 HydrophobicContact CE2-CG 4.16Å; F788-F807 HydrophobicContact CZ-CD2 4.43Å
789	Q	95.2	Very high	93.3	Very high	37 Å²	37	35.1 Å²	35.1	17%	0.173	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-42.7	177.4	-80.2	-176.2	-27.8	0	0	110.9	F753 P755 N757 V785 Q786 S792 R793	F753-Q789 PolarHBondContact O-NE2 3.01Å; P755-Q789 WeakPolarHBondContact O-CB 3.47Å; P755-Q789 VanDerWaalsContact O-CG 3.27Å; P755-Q789 WeakPolarHBondContact O-CG 3.39Å; N757-Q789 PolarHBondContact OD1-NE2 3.22Å; V785-Q789 HydrophobicContact CG1-CG 4.33Å; V785-Q789 WeakPolarHBondContact O-CB 3.43Å; V785-Q789 WeakPolarHBondContact O-CG 3.37Å; V785-Q789 PolarHBondContact O-N 2.73Å; Q786-Q789 PolarHBondContact O-N 2.74Å; Q789-S792 PolarHBondContact O-N 3.35Å; Q789-R793 PolarHBondContact O-N 3.38Å; Q789-R793 VanDerWaalsContact O-N 3.11Å
790	W	94.4	Very high	93.4	Very high	99 Å²	99	32.1 Å²	32.1	38%	0.375	15%	0.147	S	C	.	.	H	α-helix	trans	-62.4	-48.7	172.3	-172.4	12.9	0	0	0	112.2	Q786 S792 R793 E794 I827	Q786-W790 WeakPolarHBondContact O-CB 3.24Å; Q786-W790 PolarHBondContact O-N 2.69Å; W790-S792 VanDerWaalsContact C-N 3.27Å; W790-S792 PolarHBondContact O-N 3.17Å; W790-R793 WeakPolarHBondContact O-CB 3.5Å; W790-R793 PolarHBondContact O-N 3.36Å; W790-E794 VanDerWaalsContact CD1-OE1 3.27Å; W790-E794 VanDerWaalsContact NE1-CD 3.28Å; W790-E794 PolarHBondContact NE1-OE1 3.16Å; W790-E794 PolarHBondContact NE1-OE2 3.47Å; W790-E794 PolarHBondContact O-N 2.65Å; W790-I827 HydrophobicContact CE3-CG2 3.9Å; W790-I827 HydrophobicContact CZ3-CG2 4.15Å
791	A	94.1	Very high	93.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-40.9	176	0	0	0	0	0	112.3	G787 F788 R793 G795 R831 A834 Y835	G787-A791 VanDerWaalsContact O-CB 3.29Å; G787-A791 WeakPolarHBondContact O-CB 3.15Å; G787-A791 PolarHBondContact O-N 3.09Å; F788-A791 PolarHBondContact O-N 3.27Å; A791-R793 VanDerWaalsContact C-N 3.27Å; A791-R793 PolarHBondContact O-N 2.9Å; A791-G795 WeakPolarHBondContact O-CA 3.45Å; A791-G795 PolarHBondContact O-N 3Å; A791-R831 HydrophobicContact CB-CB 4.41Å; A791-R831 HydrophobicContact CB-CG 4Å; A791-A834 HydrophobicContact CB-CB 3.84Å; A791-Y835 HydrophobicContact CB-CD1 4.29Å; A791-Y835 HydrophobicContact CB-CE1 3.89Å; A791-Y835 WeakPolarHBondContact O-CE1 3.36Å
792	S	95.6	Very high	93.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71.3	-20.1	178.8	-57.7	0	0	0	0	113.7	F788 Q789 W790 P801 I802	F788-S792 WeakPolarHBondContact CE2-OG 2.94Å; F788-S792 WeakPolarHBondContact O-CB 3.39Å; F788-S792 PolarHBondContact O-N 3.23Å; F788-S792 PolarHBondContact O-OG 2.95Å; Q789-S792 PolarHBondContact O-N 3.35Å; W790-S792 VanDerWaalsContact C-N 3.27Å; W790-S792 PolarHBondContact O-N 3.17Å; S792-P801 WeakPolarHBondContact O-CA 3.31Å; S792-I802 PolarHBondContact O-N 2.66Å
793	R	93.7	Very high	93.6	Very high	136 Å²	136	27 Å²	27	51%	0.513	12%	0.124	S	C	.	.	H	α-helix	trans	-82.7	-39.1	-179.8	-171.9	176.6	-71.2	164.3	-2.5	111.8	P755 D756 Q789 W790 A791 P801	P755-R793 HydrophobicContact CB-CB 3.69Å; P755-R793 HydrophobicContact CB-CG 4.28Å; D756-R793 IonicContact OD1-CZ 2.75Å; D756-R793 IonicContact OD1-NE 2.77Å; D756-R793 IonicContact OD1-NH2 3.74Å; D756-R793 PolarHBondContact OD1-NH2 3.04Å; Q789-R793 PolarHBondContact O-N 3.38Å; Q789-R793 VanDerWaalsContact O-N 3.11Å; W790-R793 WeakPolarHBondContact O-CB 3.5Å; W790-R793 PolarHBondContact O-N 3.36Å; A791-R793 VanDerWaalsContact C-N 3.27Å; A791-R793 PolarHBondContact O-N 2.9Å; R793-P801 WeakPolarHBondContact O-CA 3.42Å
794	E	89.1	Confident	93.7	Very high	55 Å²	55	28.3 Å²	28.3	26%	0.257	13%	0.129	S	C	.	.	H	α-helix	trans	-94.6	-47.4	179.6	-77.3	160.3	-142.4	0	0	112	W790 E799 E800 R831	W790-E794 VanDerWaalsContact CD1-OE1 3.27Å; W790-E794 VanDerWaalsContact NE1-CD 3.28Å; W790-E794 PolarHBondContact NE1-OE1 3.16Å; W790-E794 PolarHBondContact NE1-OE2 3.47Å; W790-E794 PolarHBondContact O-N 2.65Å; E794-E799 CarbonylContact O-C 3.58Å; E794-E799 WeakPolarHBondContact O-CA 3.47Å; E794-E800 CarbonylContact O-C 3.59Å; E794-E800 VanDerWaalsContact O-C 3.3Å; E794-E800 PolarHBondContact O-N 3.45Å; E794-R831 IonicContact OE2-CZ 3.12Å; E794-R831 IonicContact OE2-NH1 2.94Å; E794-R831 PolarHBondContact OE2-NH1 3.34Å; E794-R831 IonicContact OE2-NH2 2.68Å; E794-R831 PolarHBondContact OE2-NH2 3.11Å
795	G	91.5	Very high	93.7	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	13%	0.129	C	C	.	.			trans	71.5	154.3	-175.8	0	0	0	0	0	114.3	A791	A791-G795 WeakPolarHBondContact O-CA 3.45Å; A791-G795 PolarHBondContact O-N 3Å
796	P	92.3	Very high	93.7	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.026	13%	0.127	C	C	.	.	S	Bend	trans	-90.7	-19	-175.2	33.4	-36	0	0	0	116.2	E682 Y835 F838 L839 F970	E682-P796 WeakPolarHBondContact OE2-CD 3.39Å; E682-P796 VanDerWaalsContact OE2-N 3.15Å; P796-Y835 HydrophobicContact CB-CD1 3.86Å; P796-Y835 HydrophobicContact CB-CE1 4.35Å; P796-Y835 HydrophobicContact CB-CG 3.99Å; P796-Y835 HydrophobicContact CG-CD1 3.97Å; P796-Y835 HydrophobicContact CG-CG 4.47Å; P796-F838 HydrophobicContact CG-CB 4.4Å; P796-F838 HydrophobicContact CG-CD1 3.32Å; P796-F838 HydrophobicContact CG-CE1 3.84Å; P796-F838 HydrophobicContact CG-CG 4.08Å; P796-L839 HydrophobicContact CB-CD1 4.17Å; P796-L839 HydrophobicContact CB-CD2 4.12Å; P796-L839 HydrophobicContact CB-CG 4.09Å; P796-L839 HydrophobicContact CG-CD2 4.01Å; P796-L839 HydrophobicContact CG-CG 4.03Å; P796-F970 HydrophobicContact CB-CE2 4.35Å
797	L	91.8	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-80.3	-47	-174.9	-61.4	176.9	0	0	0	113	E682 F838 L839 P843 L845 P929 L930 R956 V965	E682-L797 HydrophobicContact CB-CD1 4.47Å; E682-L797 HydrophobicContact CG-CB 4.25Å; E682-L797 HydrophobicContact CG-CD1 4.29Å; E682-L797 PolarHBondContact OE1-N 3.12Å; E682-L797 WeakPolarHBondContact OE2-CB 3.48Å; E682-L797 WeakPolarHBondContact OE2-CG 3.5Å; E682-L797 PolarHBondContact OE2-N 3.22Å; L797-F838 HydrophobicContact CD1-CE1 4.3Å; L797-F838 HydrophobicContact CG-CE1 4.11Å; L797-L839 HydrophobicContact CD2-CD2 4.07Å; L797-P843 HydrophobicContact CD1-CB 4.25Å; L797-P843 HydrophobicContact CD2-CB 4.31Å; L797-P843 HydrophobicContact CD2-CG 4.25Å; L797-L845 HydrophobicContact CB-CD2 4.5Å; L797-L845 HydrophobicContact CD1-CD2 3.96Å; L797-L845 HydrophobicContact CD1-CG 4.34Å; L797-P929 HydrophobicContact CD1-CB 4.45Å; L797-P929 HydrophobicContact CD1-CG 4.05Å; L797-L930 HydrophobicContact CD2-CD2 3.9Å; L797-L930 HydrophobicContact CD2-CG 4.36Å; L797-R956 WeakPolarHBondContact O-CD 3.17Å; L797-R956 WeakPolarHBondContact O-CG 3.32Å; L797-R956 PolarHBondContact O-NH1 3.28Å; L797-V965 HydrophobicContact CD2-CG2 4.32Å
798	C	90.2	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-142	7.9	-165.7	-76.4	0	0	0	0	113	E682 E800 M952 T955 K959	E682-C798 PolarHBondContact OE1-N 2.91Å; C798-E800 HydrophobicContact CB-CG 4.4Å; C798-E800 PolarHBondContact O-N 3.21Å; C798-M952 WeakPolarHBondContact SG-CG 3.38Å; C798-T955 HydrophobicContact CB-CG2 4.04Å; C798-K959 VanDerWaalsContact O-CD 3.3Å; C798-K959 WeakPolarHBondContact O-CD 3.25Å; C798-K959 WeakPolarHBondContact O-CE 3.25Å; C798-K959 PolarHBondContact O-NZ 3.07Å
799	E	90.3	Very high	93.8	Very high	38 Å²	38	24.7 Å²	24.7	18%	0.178	11%	0.11	C	C	.	.	S	Bend	trans	55.2	34.6	-170	-71.3	172.3	-174.7	0	0	112.5	E682 E794 K959 L961	E682-E799 PolarHBondContact OE1-N 3.07Å; E794-E799 CarbonylContact O-C 3.58Å; E794-E799 WeakPolarHBondContact O-CA 3.47Å; E799-K959 HydrophobicContact CB-CD 4.03Å; E799-K959 PolarHBondContact O-NZ 2.86Å; E799-L961 HydrophobicContact CB-CD1 4.3Å; E799-L961 HydrophobicContact CG-CD1 3.96Å; E799-L961 WeakPolarHBondContact OE1-CD2 3.46Å
800	E	91.5	Very high	93.7	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.014	11%	0.108	C	C	.	.			trans	-113.6	151.2	171.7	-70.5	-59	152.3	0	0	111.2	R638 F680 E682 E794 C798 I802 K959	R638-E800 IonicContact CZ-OE1 3.22Å; R638-E800 IonicContact NH1-OE2 2.65Å; R638-E800 IonicContact NH2-OE1 2.7Å; R638-E800 PolarHBondContact NH2-OE1 3.4Å; R638-E800 IonicContact NH2-OE2 2.7Å; F680-E800 HydrophobicContact CB-CG 4.47Å; F680-E800 WeakPolarHBondContact O-CB 3.17Å; E682-E800 WeakPolarHBondContact CG-O 3.36Å; E682-E800 PolarHBondContact OE1-N 3.49Å; E794-E800 CarbonylContact O-C 3.59Å; E794-E800 VanDerWaalsContact O-C 3.3Å; E794-E800 PolarHBondContact O-N 3.45Å; C798-E800 HydrophobicContact CB-CG 4.4Å; C798-E800 PolarHBondContact O-N 3.21Å; E800-I802 PolarHBondContact O-N 3.08Å; E800-K959 WeakPolarHBondContact OE1-CE 3.42Å; E800-K959 IonicContact OE1-NZ 2.94Å; E800-K959 PolarHBondContact OE1-NZ 3.24Å
801	P	94.1	Very high	93.6	Very high	39 Å²	39	22 Å²	22	25%	0.253	10%	0.104	S	C	.	.			trans	-61.6	138.7	-167	22.2	-33.6	0	0	0	113.9	C681 E682 S792 R793	C681-P801 CarbonylContact C-O 3.58Å; C681-P801 VanDerWaalsContact CA-O 3.24Å; C681-P801 WeakPolarHBondContact CA-O 2.93Å; C681-P801 WeakPolarHBondContact CB-O 3.49Å; E682-P801 PolarHBondContact N-O 2.91Å; S792-P801 WeakPolarHBondContact O-CA 3.31Å; R793-P801 WeakPolarHBondContact O-CA 3.42Å
802	I	96.2	Very high	93.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-69	144.5	172.5	-55	-175.4	0	0	0	108.9	E682 N761 S792 E800 V805 F807 F838	E682-I802 HydrophobicContact CB-CG1 4.48Å; E682-I802 CarbonylContact O-C 3.45Å; E682-I802 WeakPolarHBondContact O-CA 3.48Å; N761-I802 PolarHBondContact ND2-O 2.84Å; S792-I802 PolarHBondContact O-N 2.66Å; E800-I802 PolarHBondContact O-N 3.08Å; I802-V805 HydrophobicContact CG2-CB 3.85Å; I802-V805 HydrophobicContact CG2-CG2 3.36Å; I802-F807 HydrophobicContact CD1-CZ 4.19Å; I802-F807 HydrophobicContact CG2-CE2 4.49Å; I802-F838 HydrophobicContact CD1-CD2 4.07Å; I802-F838 HydrophobicContact CD1-CE2 4.41Å; I802-F838 HydrophobicContact CD1-CG 4.5Å; I802-F838 HydrophobicContact CG1-CE2 4.49Å; I802-F838 HydrophobicContact CG2-CD2 4.15Å; I802-F838 HydrophobicContact CG2-CE2 3.89Å
803	R	95.2	Very high	93.4	Very high	9 Å²	9	26.1 Å²	26.1	3%	0.034	13%	0.129	C	C	.	.			trans	-147.3	150.2	176.2	161.7	-176.5	-157.4	90.5	7.1	110.6	C681 E682 T683 E719 P760 N761 V805 M846 W922	C681-R803 HydrophobicContact CB-CB 4.06Å; E682-R803 PolarHBondContact O-N 3.02Å; T683-R803 WeakPolarHBondContact CB-O 2.98Å; T683-R803 PolarHBondContact OG1-O 2.98Å; E719-R803 IonicContact OE1-CZ 3.72Å; E719-R803 IonicContact OE1-NH1 3.21Å; E719-R803 PolarHBondContact OE1-NH1 2.89Å; E719-R803 IonicContact OE2-CZ 3.72Å; E719-R803 IonicContact OE2-NH1 3.97Å; E719-R803 PolarHBondContact OE2-NH1 2.75Å; E719-R803 IonicContact OE2-NH2 3.68Å; E719-R803 PolarHBondContact OE2-NH2 2.74Å; P760-R803 HydrophobicContact CB-CB 4.39Å; P760-R803 HydrophobicContact CB-CG 3.98Å; P760-R803 HydrophobicContact CG-CB 3.78Å; P760-R803 HydrophobicContact CG-CG 3.84Å; N761-R803 VanDerWaalsContact OD1-C 3.24Å; N761-R803 WeakPolarHBondContact OD1-CA 3.46Å; N761-R803 PolarHBondContact OD1-N 3.09Å; R803-V805 VanDerWaalsContact C-N 3.29Å; R803-V805 WeakPolarHBondContact O-CG2 3.43Å; R803-V805 PolarHBondContact O-N 3.48Å; R803-M846 HydrophobicContact CB-CE 3.46Å; R803-M846 VanDerWaalsContact CB-CE 3.46Å; R803-M846 HydrophobicContact CG-CE 3.5Å; R803-M846 VanDerWaalsContact CG-CE 3.5Å; R803-M846 HydrophobicContact CG-SD 4.42Å; R803-W922 VanDerWaalsContact NE-CD1 3.3Å
804	N	95.9	Very high	93.3	Very high	47 Å²	47	20.6 Å²	20.6	25%	0.251	11%	0.11	S	C	.	.	S	Bend	trans	64.1	27	177.8	-61.4	-5.1	0	0	0	113.6	L710 A715 P760 N761	L710-N804 WeakPolarHBondContact CB-O 3.35Å; L710-N804 PolarHBondContact N-O 2.88Å; A715-N804 WeakPolarHBondContact CB-OD1 3.43Å; P760-N804 PolarHBondContact O-N 2.97Å; N761-N804 PolarHBondContact OD1-N 2.96Å
805	V	96.5	Very high	93.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.3	-179.7	-168.3	0	0	0	0	112.3	V684 A707 N761 I762 I802 R803 F807 F838	V684-V805 HydrophobicContact CG1-CG1 4.16Å; V684-V805 HydrophobicContact CG1-CG2 4.12Å; V684-V805 HydrophobicContact CG2-CG1 4.01Å; V684-V805 HydrophobicContact CG2-CG2 4.08Å; A707-V805 HydrophobicContact CB-CG1 3.98Å; N761-V805 WeakPolarHBondContact CA-O 3.46Å; N761-V805 VanDerWaalsContact CB-O 3.3Å; N761-V805 WeakPolarHBondContact CB-O 3.33Å; N761-V805 PolarHBondContact OD1-N 3.41Å; I762-V805 PolarHBondContact N-O 2.76Å; I802-V805 HydrophobicContact CG2-CB 3.85Å; I802-V805 HydrophobicContact CG2-CG2 3.36Å; R803-V805 VanDerWaalsContact C-N 3.29Å; R803-V805 WeakPolarHBondContact O-CG2 3.43Å; R803-V805 PolarHBondContact O-N 3.48Å; V805-F807 HydrophobicContact CB-CD2 4.39Å; V805-F807 HydrophobicContact CB-CE2 3.77Å; V805-F807 HydrophobicContact CB-CZ 4.3Å; V805-F807 HydrophobicContact CG1-CD2 3.91Å; V805-F807 HydrophobicContact CG1-CE1 4.28Å; V805-F807 HydrophobicContact CG1-CE2 3.43Å; V805-F807 VanDerWaalsContact CG1-CE2 3.43Å; V805-F807 HydrophobicContact CG1-CZ 3.65Å; V805-F838 HydrophobicContact CG1-CD2 4.48Å; V805-F838 HydrophobicContact CG2-CD2 4.15Å; V805-F838 HydrophobicContact CG2-CE2 3.89Å
806	K	95.9	Very high	93.1	Very high	13 Å²	13	26.5 Å²	26.5	6%	0.057	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.1	173.3	-179.3	170.6	166	-158.6	0	109	A707 E708 L710 W742 I762 V764	A707-K806 WeakPolarHBondContact CA-O 3.43Å; E708-K806 HydrophobicContact CG-CB 3.77Å; E708-K806 HydrophobicContact CG-CD 3.97Å; E708-K806 HydrophobicContact CG-CG 3.99Å; E708-K806 PolarHBondContact N-O 3.39Å; E708-K806 WeakPolarHBondContact O-CB 3.19Å; E708-K806 PolarHBondContact O-N 3.45Å; E708-K806 WeakPolarHBondContact OE1-CD 3.33Å; E708-K806 WeakPolarHBondContact OE1-CE 3.42Å; E708-K806 IonicContact OE1-NZ 3.52Å; E708-K806 PolarHBondContact OE1-NZ 2.74Å; L710-K806 HydrophobicContact CD2-CB 3.71Å; L710-K806 HydrophobicContact CD2-CD 4.1Å; L710-K806 HydrophobicContact CD2-CG 4.33Å; L710-K806 HydrophobicContact CG-CB 4.03Å; W742-K806 HydrophobicContact CH2-CD 3.63Å; W742-K806 HydrophobicContact CZ2-CD 3.64Å; W742-K806 VanDerWaalsContact CZ2-CE 3.46Å; W742-K806 VanDerWaalsContact CZ2-NZ 3.33Å; I762-K806 CarbonylContact O-C 3.57Å; I762-K806 WeakPolarHBondContact O-CA 3.44Å; V764-K806 HydrophobicContact CG2-CG 4.26Å
807	F	96.4	Very high	92.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.3	175.7	-66.7	-91.9	0	0	0	108.8	I706 A707 I762 L763 V764 F788 I802 V805 A834 F838	I706-F807 WeakPolarHBondContact O-CA 3.4Å; A707-F807 HydrophobicContact CB-CD1 4.11Å; A707-F807 HydrophobicContact CB-CE1 3.96Å; I762-F807 PolarHBondContact O-N 3.21Å; L763-F807 WeakPolarHBondContact CA-O 3.36Å; L763-F807 HydrophobicContact CD1-CB 4Å; V764-F807 PolarHBondContact N-O 2.84Å; F788-F807 AromaticContact CD2-CD2 4Å; F788-F807 HydrophobicContact CD2-CD2 4Å; F788-F807 HydrophobicContact CD2-CE2 4.45Å; F788-F807 HydrophobicContact CD2-CG 4.35Å; F788-F807 HydrophobicContact CE2-CB 4.48Å; F788-F807 AromaticContact CE2-CD2 3.42Å; F788-F807 HydrophobicContact CE2-CD2 3.42Å; F788-F807 VanDerWaalsContact CE2-CD2 3.42Å; F788-F807 AromaticContact CE2-CE2 3.87Å; F788-F807 HydrophobicContact CE2-CE2 3.87Å; F788-F807 HydrophobicContact CE2-CG 4.16Å; F788-F807 HydrophobicContact CZ-CD2 4.43Å; I802-F807 HydrophobicContact CD1-CZ 4.19Å; I802-F807 HydrophobicContact CG2-CE2 4.49Å; V805-F807 HydrophobicContact CB-CD2 4.39Å; V805-F807 HydrophobicContact CB-CE2 3.77Å; V805-F807 HydrophobicContact CB-CZ 4.3Å; V805-F807 HydrophobicContact CG1-CD2 3.91Å; V805-F807 HydrophobicContact CG1-CE1 4.28Å; V805-F807 HydrophobicContact CG1-CE2 3.43Å; V805-F807 VanDerWaalsContact CG1-CE2 3.43Å; V805-F807 HydrophobicContact CG1-CZ 3.65Å; F807-A834 HydrophobicContact CD1-CB 4.3Å; F807-A834 HydrophobicContact CE1-CB 4.05Å; F807-A834 WeakPolarHBondContact CE1-O 3.48Å; F807-F838 HydrophobicContact CE1-CB 4.3Å; F807-F838 HydrophobicContact CZ-CB 4.37Å; F807-F838 HydrophobicContact CZ-CD2 4.35Å
808	K	95.3	Very high	92.6	Very high	36 Å²	36	36 Å²	36	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.4	172.8	-72.6	167.1	162.9	166.7	0	109.3	M705 I706 E708 V764 D766 L810	M705-K808 CarbonylContact C-O 3.57Å; M705-K808 VanDerWaalsContact CA-O 3.23Å; M705-K808 WeakPolarHBondContact CA-O 3.22Å; I706-K808 HydrophobicContact CD1-CB 4.35Å; I706-K808 HydrophobicContact CD1-CD 3.94Å; I706-K808 HydrophobicContact CG1-CB 3.78Å; I706-K808 HydrophobicContact CG1-CD 4.23Å; I706-K808 PolarHBondContact N-O 3.43Å; I706-K808 PolarHBondContact O-N 2.97Å; E708-K808 WeakPolarHBondContact OE1-CE 3.44Å; E708-K808 IonicContact OE1-NZ 3.79Å; E708-K808 PolarHBondContact OE1-NZ 2.69Å; E708-K808 WeakPolarHBondContact OE2-CE 3.16Å; E708-K808 IonicContact OE2-NZ 2.7Å; E708-K808 PolarHBondContact OE2-NZ 3.03Å; V764-K808 HydrophobicContact CB-CG 4.36Å; V764-K808 WeakPolarHBondContact O-CA 3.32Å; D766-K808 HydrophobicContact CB-CB 4.26Å; D766-K808 HydrophobicContact CB-CG 4.39Å; D766-K808 WeakPolarHBondContact OD2-CE 3.34Å; D766-K808 IonicContact OD2-NZ 2.77Å; K808-L810 HydrophobicContact CB-CD2 4.22Å
809	L	94.7	Very high	92.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.3	165.9	-173.7	71.3	0	0	0	108.3	L703 M705 W751 V764 D766 T767 L777 A812	L703-L809 HydrophobicContact CB-CD1 4.43Å; L703-L809 HydrophobicContact CD2-CD1 4.44Å; M705-L809 HydrophobicContact CE-CD1 3.91Å; M705-L809 HydrophobicContact CG-CD1 3.83Å; W751-L809 HydrophobicContact CH2-CD2 3.9Å; W751-L809 HydrophobicContact CZ3-CD2 4.26Å; V764-L809 PolarHBondContact O-N 3.44Å; D766-L809 CarbonylContact C-O 3.55Å; D766-L809 WeakPolarHBondContact CA-O 3.43Å; D766-L809 PolarHBondContact N-O 2.77Å; T767-L809 HydrophobicContact CG2-CB 4.38Å; T767-L809 HydrophobicContact CG2-CD2 4.18Å; T767-L809 HydrophobicContact CG2-CG 3.9Å; T767-L809 VanDerWaalsContact CG2-O 3.28Å; T767-L809 WeakPolarHBondContact CG2-O 3.37Å; T767-L809 PolarHBondContact N-O 3.41Å; L777-L809 HydrophobicContact CD1-CD2 3.75Å; L809-A812 HydrophobicContact CD2-CB 4.48Å
810	L	92.9	Very high	92.3	Very high	26 Å²	26	43.9 Å²	43.9	14%	0.136	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-35.4	-176	-62.4	-175.4	0	0	0	113.1	K691 T704 I706 D766 K808	K691-L810 HydrophobicContact CB-CD1 4.46Å; K691-L810 HydrophobicContact CD-CD1 3.68Å; K691-L810 HydrophobicContact CG-CD1 3.74Å; T704-L810 PolarHBondContact O-N 2.96Å; I706-L810 HydrophobicContact CB-CD1 4.36Å; I706-L810 HydrophobicContact CD1-CD1 4.06Å; I706-L810 HydrophobicContact CD1-CD2 4.18Å; I706-L810 HydrophobicContact CD1-CG 4.43Å; I706-L810 HydrophobicContact CG1-CD1 3.95Å; I706-L810 HydrophobicContact CG1-CD2 4.22Å; I706-L810 HydrophobicContact CG1-CG 4.09Å; I706-L810 HydrophobicContact CG2-CD1 3.62Å; I706-L810 HydrophobicContact CG2-CG 4.48Å; D766-L810 HydrophobicContact CB-CD2 4.16Å; K808-L810 HydrophobicContact CB-CD2 4.22Å
811	D	92.5	Very high	92	Very high	53 Å²	53	44.7 Å²	44.7	28%	0.283	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.7	179	177.9	33.8	0	0	0	110.4	T704 V772	T704-D811 PolarHBondContact N-O 3.43Å; T704-D811 PolarHBondContact O-N 2.7Å; V772-D811 WeakPolarHBondContact CG2-OD1 3.5Å
812	A	92.9	Very high	91.7	Very high	6 Å²	6	44.4 Å²	44.4	5%	0.05	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	105	179	0	0	0	0	0	111.1	K702 L703 V772 L777 L809 I814	K702-A812 CarbonylContact O-C 3.46Å; K702-A812 WeakPolarHBondContact O-CA 3.4Å; L703-A812 HydrophobicContact CD2-CB 3.93Å; V772-A812 HydrophobicContact CG1-CB 4.12Å; L777-A812 HydrophobicContact CD1-CB 3.73Å; L809-A812 HydrophobicContact CD2-CB 4.48Å; A812-I814 HydrophobicContact CB-CD1 4.21Å; A812-I814 HydrophobicContact CB-CG1 4.28Å
813	V	92.2	Very high	91.4	Very high	80 Å²	80	45.5 Å²	45.5	49%	0.485	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.6	168.3	-174.1	0	0	0	0	107.9	N701 K702	N701-V813 CarbonylContact C-O 3.49Å; N701-V813 WeakPolarHBondContact CA-O 3.1Å; N701-V813 WeakPolarHBondContact CB-O 3.43Å; K702-V813 HydrophobicContact CB-CB 4.12Å; K702-V813 HydrophobicContact CB-CG2 4.41Å; K702-V813 PolarHBondContact N-O 3.2Å; K702-V813 PolarHBondContact O-N 2.67Å
814	I	91.3	Very high	91.2	Very high	20 Å²	20	48.1 Å²	48.1	10%	0.103	28%	0.281	C	S	.	.			trans	-135.7	132.4	-173.1	-51.2	166.3	0	0	0	108.4	L776 L777 I780 A812 H821	L776-I814 HydrophobicContact CB-CB 4.26Å; L776-I814 HydrophobicContact CB-CD1 4.16Å; L776-I814 HydrophobicContact CB-CG2 4.31Å; L777-I814 HydrophobicContact CB-CD1 4.2Å; L777-I814 HydrophobicContact CD1-CD1 4.06Å; I780-I814 HydrophobicContact CD1-CD1 3.45Å; I780-I814 VanDerWaalsContact CD1-CD1 3.45Å; I780-I814 HydrophobicContact CD1-CG1 3.86Å; I780-I814 HydrophobicContact CG1-CD1 3.82Å; I780-I814 HydrophobicContact CG2-CG2 4.04Å; A812-I814 HydrophobicContact CB-CD1 4.21Å; A812-I814 HydrophobicContact CB-CG1 4.28Å; I814-H821 HydrophobicContact CG2-CB 3.96Å
815	A	90.8	Very high	90.9	Very high	19 Å²	19	48.7 Å²	48.7	16%	0.157	28%	0.282	C	S	.	.			trans	-73.1	144.9	176.1	0	0	0	0	0	112	K700 N701 E817 Y820 H821	K700-A815 HydrophobicContact CB-CB 3.98Å; K700-A815 HydrophobicContact CD-CB 4.46Å; K700-A815 PolarHBondContact O-N 2.76Å; N701-A815 PolarHBondContact OD1-N 2.97Å; A815-E817 PolarHBondContact O-N 3.3Å; A815-Y820 HydrophobicContact CB-CD2 4.22Å; A815-H821 PolarHBondContact O-CE1 2.96Å; A815-H821 VanDerWaalsContact O-CE1 3.27Å; A815-H821 PolarHBondContact O-ND1 2.89Å
816	E	87	Confident	90.8	Very high	163 Å²	163	48.9 Å²	48.9	76%	0.762	28%	0.283	S	S	*	.	S	Bend	trans	-67	-35.5	-173.1	-60	-173	157.2	0	0	114.1	L776	L776-E816 HydrophobicContact CD1-CG 4.43Å
817	E	87.8	Confident	90.8	Very high	106 Å²	106	49.8 Å²	49.8	50%	0.495	29%	0.288	S	S	.	.	S	Bend	trans	-78.8	126.5	-179.1	-68.6	177	-161.1	0	0	112	A815 L819 Y820 H821	A815-E817 PolarHBondContact O-N 3.3Å; E817-L819 PolarHBondContact O-N 2.88Å; E817-Y820 HydrophobicContact CB-CD2 3.74Å; E817-Y820 HydrophobicContact CB-CE2 3.78Å; E817-Y820 HydrophobicContact CG-CE2 4.15Å; E817-Y820 PolarHBondContact O-N 3.48Å; E817-Y820 WeakPolarHBondContact OE2-CE2 3.42Å; E817-Y820 PolarHBondContact OE2-OH 2.81Å; E817-H821 PolarHBondContact O-ND1 3.42Å
818	P	84.9	Confident	90.6	Very high	97 Å²	97	52.3 Å²	52.3	63%	0.63	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-52.7	-29.2	178.9	-30.4	36.8	0	0	0	115.6	Y820 H821 G822	P818-Y820 PolarHBondContact O-N 3.12Å; P818-H821 VanDerWaalsContact CA-CE1 3.44Å; P818-H821 WeakPolarHBondContact CA-CE1 3.32Å; P818-H821 PolarHBondContact O-N 2.76Å; P818-G822 PolarHBondContact O-N 3.09Å; P818-G822 VanDerWaalsContact O-N 3.12Å
819	L	86.3	Confident	90.5	Very high	138 Å²	138	50.6 Å²	50.6	72%	0.723	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-58.8	-33.6	177.7	-171.8	67.5	0	0	0	112.5	E817	E817-L819 PolarHBondContact O-N 2.88Å
820	Y	87.3	Confident	90.5	Very high	66 Å²	66	50.6 Å²	50.6	26%	0.259	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-88.1	-15	-177.6	-55.5	-50.2	0	0	0	113.9	N698 K700 N701 A815 E817 P818	N698-Y820 PolarHBondContact ND2-O 3.47Å; K700-Y820 HydrophobicContact CD-CD1 3.67Å; K700-Y820 HydrophobicContact CD-CD2 3.67Å; K700-Y820 HydrophobicContact CD-CE1 4.23Å; K700-Y820 HydrophobicContact CD-CE2 4.23Å; K700-Y820 HydrophobicContact CD-CG 3.41Å; K700-Y820 VanDerWaalsContact CD-CG 3.41Å; N701-Y820 PolarHBondContact ND2-O 2.79Å; A815-Y820 HydrophobicContact CB-CD2 4.22Å; E817-Y820 HydrophobicContact CB-CD2 3.74Å; E817-Y820 HydrophobicContact CB-CE2 3.78Å; E817-Y820 HydrophobicContact CG-CE2 4.15Å; E817-Y820 PolarHBondContact O-N 3.48Å; E817-Y820 WeakPolarHBondContact OE2-CE2 3.42Å; E817-Y820 PolarHBondContact OE2-OH 2.81Å; P818-Y820 PolarHBondContact O-N 3.12Å
821	H	86.4	Confident	90.6	Very high	19 Å²	19	51.6 Å²	51.6	9%	0.088	30%	0.299	C	S	.	.	S	Bend	trans	-119.1	22	179.9	63.4	-108.8	0	0	0	113.8	I780 I814 A815 E817 P818 V826	I780-H821 HydrophobicContact CG2-CB 3.81Å; I814-H821 HydrophobicContact CG2-CB 3.96Å; A815-H821 PolarHBondContact O-CE1 2.96Å; A815-H821 VanDerWaalsContact O-CE1 3.27Å; A815-H821 PolarHBondContact O-ND1 2.89Å; E817-H821 PolarHBondContact O-ND1 3.42Å; P818-H821 VanDerWaalsContact CA-CE1 3.44Å; P818-H821 WeakPolarHBondContact CA-CE1 3.32Å; P818-H821 PolarHBondContact O-N 2.76Å; H821-V826 HydrophobicContact CB-CG2 4.36Å; H821-V826 WeakPolarHBondContact O-CG2 3.38Å
822	G	88.1	Confident	90.6	Very high	33 Å²	33	51.9 Å²	51.9	34%	0.34	30%	0.296	S	S	.	.			trans	-62.5	155.2	172.3	0	0	0	0	0	113.3	P818 G824 Q825 V826	P818-G822 PolarHBondContact O-N 3.09Å; P818-G822 VanDerWaalsContact O-N 3.12Å; G822-G824 VanDerWaalsContact C-N 3.31Å; G822-G824 PolarHBondContact O-N 3.41Å; G822-G824 VanDerWaalsContact O-N 3.13Å; G822-Q825 PolarHBondContact O-N 2.85Å; G822-V826 PolarHBondContact O-N 3.26Å
823	G	89.4	Confident	90.6	Very high	24 Å²	24	51.6 Å²	51.6	25%	0.247	29%	0.294	C	S	.	.	H	α-helix	trans	-52.5	-40.3	-169.9	0	0	0	0	0	115	S783 Q825 V826 I827	S783-G823 WeakPolarHBondContact OG-CA 3.19Å; G823-Q825 PolarHBondContact O-N 2.93Å; G823-Q825 VanDerWaalsContact O-N 3.11Å; G823-V826 PolarHBondContact O-N 3.19Å; G823-V826 VanDerWaalsContact O-N 3.17Å; G823-I827 VanDerWaalsContact O-CB 3.32Å; G823-I827 WeakPolarHBondContact O-CB 3.13Å; G823-I827 WeakPolarHBondContact O-CD1 3.21Å; G823-I827 VanDerWaalsContact O-CG1 3.24Å; G823-I827 WeakPolarHBondContact O-CG1 3.5Å; G823-I827 PolarHBondContact O-N 3.41Å
824	G	90.4	Very high	90.7	Very high	65 Å²	65	47.8 Å²	47.8	67%	0.67	27%	0.271	S	S	*	.	H	α-helix	trans	-61.8	-18.8	177.7	0	0	0	0	0	115.4	G822 P828	G822-G824 VanDerWaalsContact C-N 3.31Å; G822-G824 PolarHBondContact O-N 3.41Å; G822-G824 VanDerWaalsContact O-N 3.13Å; G824-P828 WeakPolarHBondContact O-CD 3.34Å
825	Q	90.6	Very high	90.8	Very high	59 Å²	59	47 Å²	47	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-90.5	-44.6	171.7	-61.8	-66.4	-57	0	0	111.3	T696 G822 G823 T829	T696-Q825 HydrophobicContact CG2-CB 4.12Å; T696-Q825 WeakPolarHBondContact CG2-O 3.48Å; G822-Q825 PolarHBondContact O-N 2.85Å; G823-Q825 PolarHBondContact O-N 2.93Å; G823-Q825 VanDerWaalsContact O-N 3.11Å; Q825-T829 PolarHBondContact O-OG1 3.31Å
826	V	94	Very high	90.8	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-77.4	-42.4	-171.8	178.7	0	0	0	0	112.2	L703 I780 V784 H821 G822 G823 T829 A830	L703-V826 HydrophobicContact CD1-CG1 4.39Å; I780-V826 HydrophobicContact CB-CG1 4.37Å; I780-V826 HydrophobicContact CD1-CG1 4.46Å; I780-V826 HydrophobicContact CG2-CG2 4.27Å; V784-V826 HydrophobicContact CG2-CG1 3.74Å; H821-V826 HydrophobicContact CB-CG2 4.36Å; H821-V826 WeakPolarHBondContact O-CG2 3.38Å; G822-V826 PolarHBondContact O-N 3.26Å; G823-V826 PolarHBondContact O-N 3.19Å; G823-V826 VanDerWaalsContact O-N 3.17Å; V826-T829 PolarHBondContact O-N 2.99Å; V826-T829 VanDerWaalsContact O-N 3.16Å; V826-A830 WeakPolarHBondContact O-CB 3.5Å; V826-A830 PolarHBondContact O-N 3.24Å
827	I	94.6	Very high	91	Very high	32 Å²	32	38.4 Å²	38.4	16%	0.164	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-50.6	-175.3	-65.4	162.5	0	0	0	112	S783 Q786 W790 G823 T829 A830 R831	S783-I827 WeakPolarHBondContact O-CG1 3.45Å; Q786-I827 HydrophobicContact CB-CD1 4.37Å; Q786-I827 HydrophobicContact CB-CG1 4.24Å; Q786-I827 VanDerWaalsContact OE1-CD1 3.25Å; W790-I827 HydrophobicContact CE3-CG2 3.9Å; W790-I827 HydrophobicContact CZ3-CG2 4.15Å; G823-I827 VanDerWaalsContact O-CB 3.32Å; G823-I827 WeakPolarHBondContact O-CB 3.13Å; G823-I827 WeakPolarHBondContact O-CD1 3.21Å; G823-I827 VanDerWaalsContact O-CG1 3.24Å; G823-I827 WeakPolarHBondContact O-CG1 3.5Å; G823-I827 PolarHBondContact O-N 3.41Å; I827-T829 VanDerWaalsContact C-N 3.27Å; I827-T829 PolarHBondContact O-N 2.62Å; I827-A830 PolarHBondContact O-N 3.41Å; I827-R831 PolarHBondContact O-N 3.3Å
828	P	93.9	Very high	91.4	Very high	54 Å²	54	33.3 Å²	33.3	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-67.4	-29.2	178.1	-19.5	33.9	0	0	0	112.8	G824 R831 R832	G824-P828 WeakPolarHBondContact O-CD 3.34Å; P828-R831 PolarHBondContact O-N 2.87Å; P828-R832 WeakPolarHBondContact O-CG 3.36Å; P828-R832 PolarHBondContact O-N 3.37Å
829	T	93	Very high	91.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-75.8	-40.2	179.8	-54.4	0	0	0	0	111.2	A694 T696 Q825 V826 I827 R831 R832 V833	A694-T829 HydrophobicContact CB-CG2 3.78Å; A694-T829 WeakPolarHBondContact O-CG2 2.96Å; T696-T829 HydrophobicContact CG2-CG2 4.03Å; T696-T829 WeakPolarHBondContact CG2-OG1 3.31Å; Q825-T829 PolarHBondContact O-OG1 3.31Å; V826-T829 PolarHBondContact O-N 2.99Å; V826-T829 VanDerWaalsContact O-N 3.16Å; I827-T829 VanDerWaalsContact C-N 3.27Å; I827-T829 PolarHBondContact O-N 2.62Å; T829-R831 VanDerWaalsContact C-N 3.31Å; T829-R831 PolarHBondContact O-N 2.98Å; T829-R832 PolarHBondContact O-N 3.45Å; T829-V833 WeakPolarHBondContact O-CG1 3.18Å; T829-V833 PolarHBondContact O-N 2.9Å
830	A	94.4	Very high	91.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-38.8	169.8	0	0	0	0	0	111.6	L703 V784 V826 I827 V833 A834	L703-A830 HydrophobicContact CD1-CB 4Å; V784-A830 HydrophobicContact CB-CB 4.48Å; V784-A830 HydrophobicContact CG1-CB 4.26Å; V826-A830 WeakPolarHBondContact O-CB 3.5Å; V826-A830 PolarHBondContact O-N 3.24Å; I827-A830 PolarHBondContact O-N 3.41Å; A830-V833 WeakPolarHBondContact O-CG1 3.29Å; A830-A834 WeakPolarHBondContact O-CB 3.39Å; A830-A834 PolarHBondContact O-N 2.72Å; A830-A834 VanDerWaalsContact O-N 3.16Å
831	R	94.5	Very high	91.7	Very high	46 Å²	46	20.5 Å²	20.5	17%	0.174	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-48.7	172.8	179.4	175.8	176	-172.2	-4.1	112.2	A791 E794 I827 P828 T829 A834 Y835	A791-R831 HydrophobicContact CB-CB 4.41Å; A791-R831 HydrophobicContact CB-CG 4Å; E794-R831 IonicContact OE2-CZ 3.12Å; E794-R831 IonicContact OE2-NH1 2.94Å; E794-R831 PolarHBondContact OE2-NH1 3.34Å; E794-R831 IonicContact OE2-NH2 2.68Å; E794-R831 PolarHBondContact OE2-NH2 3.11Å; I827-R831 PolarHBondContact O-N 3.3Å; P828-R831 PolarHBondContact O-N 2.87Å; T829-R831 VanDerWaalsContact C-N 3.31Å; T829-R831 PolarHBondContact O-N 2.98Å; R831-A834 PolarHBondContact O-N 3.04Å; R831-Y835 HydrophobicContact CG-CD2 4.18Å; R831-Y835 HydrophobicContact CG-CE2 3.68Å; R831-Y835 VanDerWaalsContact CZ-OH 3.31Å; R831-Y835 PolarHBondContact NE-OH 2.92Å; R831-Y835 PolarHBondContact NH2-OH 3.08Å; R831-Y835 PolarHBondContact O-N 2.72Å; R831-Y835 VanDerWaalsContact O-N 3.12Å
832	R	92.1	Very high	92	Very high	60 Å²	60	21.6 Å²	21.6	23%	0.226	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-43.4	179.5	-72.6	-175.8	-58.2	140.1	10.7	113.1	A694 E695 P828 T829 A834 Y835 S836 D972	A694-R832 HydrophobicContact CB-CB 4.36Å; E695-R832 PolarHBondContact O-NH2 2.91Å; P828-R832 WeakPolarHBondContact O-CG 3.36Å; P828-R832 PolarHBondContact O-N 3.37Å; T829-R832 PolarHBondContact O-N 3.45Å; R832-A834 VanDerWaalsContact C-N 3.33Å; R832-A834 PolarHBondContact O-N 2.88Å; R832-Y835 PolarHBondContact O-N 3.01Å; R832-S836 PolarHBondContact O-N 3.22Å; R832-S836 PolarHBondContact O-OG 3.02Å; R832-D972 IonicContact CZ-OD1 2.91Å; R832-D972 IonicContact NH1-OD1 2.67Å; R832-D972 PolarHBondContact NH1-OD1 3.32Å; R832-D972 IonicContact NH1-OD2 3.1Å; R832-D972 IonicContact NH2-OD1 2.92Å
833	V	93.1	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-34.6	177.8	71.9	0	0	0	0	112.4	C692 A694 L703 M705 T829 A830 S836 A837	C692-V833 WeakPolarHBondContact O-CG2 3.4Å; A694-V833 HydrophobicContact CB-CB 3.84Å; L703-V833 HydrophobicContact CB-CG1 4.12Å; L703-V833 WeakPolarHBondContact O-CG2 3.36Å; M705-V833 HydrophobicContact CB-CG2 4.01Å; M705-V833 HydrophobicContact CE-CG1 3.9Å; M705-V833 HydrophobicContact CG-CG1 3.94Å; M705-V833 HydrophobicContact CG-CG2 4.11Å; M705-V833 HydrophobicContact SD-CG1 3.78Å; T829-V833 WeakPolarHBondContact O-CG1 3.18Å; T829-V833 PolarHBondContact O-N 2.9Å; A830-V833 WeakPolarHBondContact O-CG1 3.29Å; V833-S836 WeakPolarHBondContact CA-OG 3.19Å; V833-S836 PolarHBondContact O-N 3.24Å; V833-S836 PolarHBondContact O-OG 3.41Å; V833-S836 VanDerWaalsContact O-OG 3.11Å; V833-A837 VanDerWaalsContact O-CB 3.25Å; V833-A837 WeakPolarHBondContact O-CB 3.4Å; V833-A837 PolarHBondContact O-N 3.22Å
834	A	94.1	Very high	92.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-41.9	172.7	0	0	0	0	0	111.4	A791 F807 A830 R831 R832 F838	A791-A834 HydrophobicContact CB-CB 3.84Å; F807-A834 HydrophobicContact CD1-CB 4.3Å; F807-A834 HydrophobicContact CE1-CB 4.05Å; F807-A834 WeakPolarHBondContact CE1-O 3.48Å; A830-A834 WeakPolarHBondContact O-CB 3.39Å; A830-A834 PolarHBondContact O-N 2.72Å; A830-A834 VanDerWaalsContact O-N 3.16Å; R831-A834 PolarHBondContact O-N 3.04Å; R832-A834 VanDerWaalsContact C-N 3.33Å; R832-A834 PolarHBondContact O-N 2.88Å; A834-F838 VanDerWaalsContact O-CB 3.31Å; A834-F838 WeakPolarHBondContact O-CB 3.48Å; A834-F838 PolarHBondContact O-N 3.3Å
835	Y	93.6	Very high	92.8	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-42.6	175.4	-67.1	-24.6	0	0	0	113.7	A791 P796 R831 R832 F838 L839 F970	A791-Y835 HydrophobicContact CB-CD1 4.29Å; A791-Y835 HydrophobicContact CB-CE1 3.89Å; A791-Y835 WeakPolarHBondContact O-CE1 3.36Å; P796-Y835 HydrophobicContact CB-CD1 3.86Å; P796-Y835 HydrophobicContact CB-CE1 4.35Å; P796-Y835 HydrophobicContact CB-CG 3.99Å; P796-Y835 HydrophobicContact CG-CD1 3.97Å; P796-Y835 HydrophobicContact CG-CG 4.47Å; R831-Y835 HydrophobicContact CG-CD2 4.18Å; R831-Y835 HydrophobicContact CG-CE2 3.68Å; R831-Y835 VanDerWaalsContact CZ-OH 3.31Å; R831-Y835 PolarHBondContact NE-OH 2.92Å; R831-Y835 PolarHBondContact NH2-OH 3.08Å; R831-Y835 PolarHBondContact O-N 2.72Å; R831-Y835 VanDerWaalsContact O-N 3.12Å; R832-Y835 PolarHBondContact O-N 3.01Å; Y835-F838 PolarHBondContact O-N 3.43Å; Y835-L839 WeakPolarHBondContact O-CB 3.4Å; Y835-L839 VanDerWaalsContact O-CG 3.32Å; Y835-L839 WeakPolarHBondContact O-CG 3.42Å; Y835-L839 PolarHBondContact O-N 3.14Å; Y835-F970 AromaticContact CD2-CD1 3.63Å; Y835-F970 HydrophobicContact CD2-CD1 3.63Å; Y835-F970 AromaticContact CD2-CE1 3.49Å; Y835-F970 HydrophobicContact CD2-CE1 3.49Å; Y835-F970 VanDerWaalsContact CD2-CE1 3.49Å; Y835-F970 HydrophobicContact CD2-CG 4.46Å; Y835-F970 HydrophobicContact CD2-CZ 4.24Å; Y835-F970 HydrophobicContact CE2-CD1 4.48Å; Y835-F970 AromaticContact CE2-CE1 3.95Å; Y835-F970 HydrophobicContact CE2-CE1 3.95Å; Y835-F970 HydrophobicContact CG-CD1 4.36Å; Y835-F970 HydrophobicContact CG-CE1 4.4Å
836	S	91	Very high	93.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.1	-40.8	176.8	60.2	0	0	0	0	111.8	C692 R832 V833 L839 M840	C692-S836 WeakPolarHBondContact CB-OG 3.27Å; R832-S836 PolarHBondContact O-N 3.22Å; R832-S836 PolarHBondContact O-OG 3.02Å; V833-S836 WeakPolarHBondContact CA-OG 3.19Å; V833-S836 PolarHBondContact O-N 3.24Å; V833-S836 PolarHBondContact O-OG 3.41Å; V833-S836 VanDerWaalsContact O-OG 3.11Å; S836-L839 PolarHBondContact O-N 3.35Å; S836-M840 WeakPolarHBondContact O-CB 3.26Å; S836-M840 WeakPolarHBondContact O-CG 3.34Å; S836-M840 PolarHBondContact O-N 2.82Å; S836-M840 VanDerWaalsContact O-N 3.13Å
837	A	92.6	Very high	93.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.8	-42.8	173.5	0	0	0	0	0	112.7	S688 C692 M705 A707 V833 A841	S688-A837 WeakPolarHBondContact CB-O 3.29Å; C692-A837 HydrophobicContact CB-CB 4.13Å; M705-A837 HydrophobicContact CB-CB 4.27Å; A707-A837 HydrophobicContact CB-CB 4.2Å; V833-A837 VanDerWaalsContact O-CB 3.25Å; V833-A837 WeakPolarHBondContact O-CB 3.4Å; V833-A837 PolarHBondContact O-N 3.22Å; A837-A841 WeakPolarHBondContact O-CB 3.13Å; A837-A841 PolarHBondContact O-N 3.27Å
838	F	94.3	Very high	93.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.8	-44.9	177.7	-179.3	-83.1	0	0	0	112.3	E682 T683 V684 P796 L797 I802 V805 F807 A834 Y835 M840 A841 P843	E682-F838 HydrophobicContact CB-CE1 4.38Å; E682-F838 HydrophobicContact CB-CE2 4.35Å; E682-F838 HydrophobicContact CB-CZ 3.69Å; T683-F838 WeakPolarHBondContact O-CZ 3.45Å; V684-F838 HydrophobicContact CG1-CD2 3.57Å; V684-F838 HydrophobicContact CG1-CE2 3.64Å; V684-F838 HydrophobicContact CG1-CG 4.21Å; V684-F838 HydrophobicContact CG1-CZ 4.33Å; P796-F838 HydrophobicContact CG-CB 4.4Å; P796-F838 HydrophobicContact CG-CD1 3.32Å; P796-F838 HydrophobicContact CG-CE1 3.84Å; P796-F838 HydrophobicContact CG-CG 4.08Å; L797-F838 HydrophobicContact CD1-CE1 4.3Å; L797-F838 HydrophobicContact CG-CE1 4.11Å; I802-F838 HydrophobicContact CD1-CD2 4.07Å; I802-F838 HydrophobicContact CD1-CE2 4.41Å; I802-F838 HydrophobicContact CD1-CG 4.5Å; I802-F838 HydrophobicContact CG1-CE2 4.49Å; I802-F838 HydrophobicContact CG2-CD2 4.15Å; I802-F838 HydrophobicContact CG2-CE2 3.89Å; V805-F838 HydrophobicContact CG1-CD2 4.48Å; V805-F838 HydrophobicContact CG2-CD2 4.15Å; V805-F838 HydrophobicContact CG2-CE2 3.89Å; F807-F838 HydrophobicContact CE1-CB 4.3Å; F807-F838 HydrophobicContact CZ-CB 4.37Å; F807-F838 HydrophobicContact CZ-CD2 4.35Å; A834-F838 VanDerWaalsContact O-CB 3.31Å; A834-F838 WeakPolarHBondContact O-CB 3.48Å; A834-F838 PolarHBondContact O-N 3.3Å; Y835-F838 PolarHBondContact O-N 3.43Å; F838-M840 VanDerWaalsContact C-N 3.26Å; F838-M840 PolarHBondContact O-N 3.42Å; F838-A841 PolarHBondContact O-N 3.41Å; F838-P843 HydrophobicContact CD1-CB 4Å; F838-P843 HydrophobicContact CE1-CB 3.39Å; F838-P843 HydrophobicContact CZ-CB 3.93Å
839	L	91	Very high	93.3	Very high	12 Å²	12	10.6 Å²	10.6	6%	0.063	5%	0.048	C	C	.	.	H	α-helix	trans	-67	-26.4	-179.9	-71.2	172.1	0	0	0	112.9	P796 L797 Y835 S836 A841 V965 F970 F971	P796-L839 HydrophobicContact CB-CD1 4.17Å; P796-L839 HydrophobicContact CB-CD2 4.12Å; P796-L839 HydrophobicContact CB-CG 4.09Å; P796-L839 HydrophobicContact CG-CD2 4.01Å; P796-L839 HydrophobicContact CG-CG 4.03Å; L797-L839 HydrophobicContact CD2-CD2 4.07Å; Y835-L839 WeakPolarHBondContact O-CB 3.4Å; Y835-L839 VanDerWaalsContact O-CG 3.32Å; Y835-L839 WeakPolarHBondContact O-CG 3.42Å; Y835-L839 PolarHBondContact O-N 3.14Å; S836-L839 PolarHBondContact O-N 3.35Å; L839-A841 VanDerWaalsContact C-N 3.32Å; L839-V965 HydrophobicContact CD1-CG1 4.07Å; L839-V965 HydrophobicContact CD2-CG1 4.1Å; L839-F970 HydrophobicContact CD1-CD2 3.66Å; L839-F970 HydrophobicContact CD1-CE2 4.19Å; L839-F970 HydrophobicContact CD1-CG 4.5Å; L839-F971 HydrophobicContact CD1-CE2 4.39Å
840	M	88.5	Confident	93.5	Very high	19 Å²	19	10.7 Å²	10.7	9%	0.094	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.2	173	-71.4	-68.8	170.2	0	0	113.9	S688 A689 S836 F838 F971 L979 F988	S688-M840 WeakPolarHBondContact CA-O 3.41Å; A689-M840 PolarHBondContact N-O 2.8Å; S836-M840 WeakPolarHBondContact O-CB 3.26Å; S836-M840 WeakPolarHBondContact O-CG 3.34Å; S836-M840 PolarHBondContact O-N 2.82Å; S836-M840 VanDerWaalsContact O-N 3.13Å; F838-M840 VanDerWaalsContact C-N 3.26Å; F838-M840 PolarHBondContact O-N 3.42Å; M840-F971 HydrophobicContact CE-CD1 4.43Å; M840-F971 HydrophobicContact CE-CE1 3.43Å; M840-F971 VanDerWaalsContact CE-CE1 3.43Å; M840-F971 HydrophobicContact CE-CZ 3.5Å; M840-F971 VanDerWaalsContact CE-CZ 3.5Å; M840-F971 HydrophobicContact CG-CE1 4.06Å; M840-F971 HydrophobicContact CG-CZ 3.89Å; M840-L979 HydrophobicContact CE-CD1 3.82Å; M840-L979 HydrophobicContact CE-CD2 3.57Å; M840-L979 HydrophobicContact CE-CG 4.38Å; M840-L979 HydrophobicContact SD-CD2 4.43Å; M840-F988 HydrophobicContact CE-CD2 4.41Å; M840-F988 HydrophobicContact CE-CE2 3.82Å; M840-F988 HydrophobicContact SD-CE2 4.24Å
841	A	86.6	Confident	93.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-108.9	59.6	-176.9	0	0	0	0	0	111.9	V684 A707 A837 F838 L839 P843	V684-A841 HydrophobicContact CB-CB 3.92Å; V684-A841 WeakPolarHBondContact CB-O 3.28Å; V684-A841 HydrophobicContact CG1-CB 3.57Å; V684-A841 VanDerWaalsContact CG1-O 3.28Å; V684-A841 WeakPolarHBondContact CG1-O 3.3Å; A707-A841 HydrophobicContact CB-CB 3.92Å; A837-A841 WeakPolarHBondContact O-CB 3.13Å; A837-A841 PolarHBondContact O-N 3.27Å; F838-A841 PolarHBondContact O-N 3.41Å; L839-A841 VanDerWaalsContact C-N 3.32Å; A841-P843 VanDerWaalsContact O-N 3.14Å
842	T	91.8	Very high	93.7	Very high	42 Å²	42	9.5 Å²	9.5	26%	0.258	4%	0.044	S	C	.	.			trans	31.9	66.4	174.8	-47.5	0	0	0	0	113.3	V685 E686	V685-T842 HydrophobicContact CG2-CG2 3.62Å; V685-T842 WeakPolarHBondContact CG2-O 3.28Å; V685-T842 PolarHBondContact N-O 3.38Å; E686-T842 WeakPolarHBondContact OE2-CB 3.41Å; E686-T842 PolarHBondContact OE2-OG1 2.7Å
843	P	94.2	Very high	93.8	Very high	6 Å²	6	7 Å²	7	4%	0.039	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	145.3	-165.3	31.1	-37.8	0	0	0	112.6	T683 L797 F838 A841 P929 L930	T683-P843 CarbonylContact O-C 3.43Å; T683-P843 WeakPolarHBondContact O-CA 3.32Å; L797-P843 HydrophobicContact CD1-CB 4.25Å; L797-P843 HydrophobicContact CD2-CB 4.31Å; L797-P843 HydrophobicContact CD2-CG 4.25Å; F838-P843 HydrophobicContact CD1-CB 4Å; F838-P843 HydrophobicContact CE1-CB 3.39Å; F838-P843 HydrophobicContact CZ-CB 3.93Å; A841-P843 VanDerWaalsContact O-N 3.14Å; P843-P929 WeakPolarHBondContact O-CG 3.32Å; P843-L930 HydrophobicContact CG-CD1 3.54Å; P843-L930 HydrophobicContact CG-CG 4.3Å
844	R	95.5	Very high	94	Very high	23 Å²	23	7 Å²	7	9%	0.087	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.3	180	-56.6	-65.7	174.4	-173.7	-13.9	111.1	T683 V685 I924 G927 D928 N995	T683-R844 HydrophobicContact CG2-CB 4Å; T683-R844 PolarHBondContact N-O 2.79Å; T683-R844 PolarHBondContact O-N 2.8Å; V685-R844 HydrophobicContact CG1-CG 3.69Å; V685-R844 HydrophobicContact CG2-CG 4.19Å; R844-I924 HydrophobicContact CB-CG2 3.97Å; R844-I924 HydrophobicContact CG-CG2 4.19Å; R844-G927 PolarHBondContact NH1-O 3.17Å; R844-D928 IonicContact CZ-OD2 2.73Å; R844-D928 VanDerWaalsContact CZ-OD2 3.31Å; R844-D928 IonicContact NH1-OD2 3.77Å; R844-D928 PolarHBondContact NH1-OD2 3.11Å; R844-D928 IonicContact NH2-OD2 3.19Å; R844-D928 PolarHBondContact NH2-OD2 2.84Å; R844-N995 PolarHBondContact NH1-ND2 3.27Å; R844-N995 PolarHBondContact NH1-OD1 2.89Å; R844-N995 PolarHBondContact NH2-OD1 3.31Å
845	L	95.7	Very high	94	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	149.5	164.7	-69	177.5	0	0	0	110.7	C681 E682 L797 I924 V925 P929 F951 M952	C681-L845 CarbonylContact O-C 3.12Å; E682-L845 HydrophobicContact CG-CD2 4.16Å; L797-L845 HydrophobicContact CB-CD2 4.5Å; L797-L845 HydrophobicContact CD1-CD2 3.96Å; L797-L845 HydrophobicContact CD1-CG 4.34Å; L845-I924 WeakPolarHBondContact O-CA 3.24Å; L845-V925 HydrophobicContact CB-CB 4.41Å; L845-V925 HydrophobicContact CB-CG2 4Å; L845-V925 PolarHBondContact O-N 3.39Å; L845-P929 HydrophobicContact CD1-CB 4.49Å; L845-P929 HydrophobicContact CG-CB 4.35Å; L845-F951 HydrophobicContact CD1-CB 4.23Å; L845-M952 HydrophobicContact CD1-CB 3.92Å
846	M	96.1	Very high	94	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.4	166.7	-69.9	179	-64.3	0	0	110.2	C681 T683 R803 W922 Q923 I924	C681-M846 HydrophobicContact CB-CB 4.32Å; C681-M846 HydrophobicContact CB-CE 3.65Å; C681-M846 PolarHBondContact N-O 3.16Å; C681-M846 PolarHBondContact O-N 3.46Å; T683-M846 HydrophobicContact CG2-CE 4.04Å; T683-M846 HydrophobicContact CG2-CG 3.67Å; T683-M846 HydrophobicContact CG2-SD 3.82Å; R803-M846 HydrophobicContact CB-CE 3.46Å; R803-M846 VanDerWaalsContact CB-CE 3.46Å; R803-M846 HydrophobicContact CG-CE 3.5Å; R803-M846 VanDerWaalsContact CG-CE 3.5Å; R803-M846 HydrophobicContact CG-SD 4.42Å; M846-W922 HydrophobicContact CB-CB 4.31Å; M846-W922 HydrophobicContact CB-CE3 4.38Å; M846-W922 HydrophobicContact SD-CB 4.22Å; M846-Q923 CarbonylContact C-O 3.54Å; M846-Q923 WeakPolarHBondContact CA-O 3.43Å; M846-Q923 WeakPolarHBondContact CB-O 3.47Å; M846-I924 HydrophobicContact CG-CG1 4Å
847	E	95.8	Very high	94.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.5	169.1	61.7	-176	173.7	0	0	110.1	F680 Y849 R872 Q923 V925	F680-E847 HydrophobicContact CD1-CB 4.37Å; F680-E847 HydrophobicContact CE1-CB 4.24Å; E847-Y849 HydrophobicContact CG-CD2 4.05Å; E847-Y849 HydrophobicContact CG-CE2 3.49Å; E847-Y849 VanDerWaalsContact CG-CE2 3.49Å; E847-Y849 WeakPolarHBondContact OE1-CE2 3.31Å; E847-Y849 PolarHBondContact OE1-OH 3.35Å; E847-R872 IonicContact OE1-CZ 3.99Å; E847-R872 IonicContact OE1-NH1 3.62Å; E847-R872 PolarHBondContact OE1-NH1 3.48Å; E847-R872 IonicContact OE1-NH2 2.83Å; E847-R872 IonicContact OE2-CZ 3.76Å; E847-R872 IonicContact OE2-NH1 3.98Å; E847-R872 PolarHBondContact OE2-NH1 3.29Å; E847-R872 IonicContact OE2-NH2 2.81Å; E847-R872 PolarHBondContact OE2-NH2 2.88Å; E847-Q923 PolarHBondContact N-O 3.47Å; E847-Q923 PolarHBondContact O-N 3.31Å; E847-V925 HydrophobicContact CB-CG2 3.76Å; E847-V925 HydrophobicContact CG-CG2 3.95Å
848	P	96.5	Very high	94.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	136	173.6	23.4	-17.4	0	0	0	110.6	V605 V678 A895 F919 W922	V605-P848 HydrophobicContact CG1-CB 3.51Å; V605-P848 HydrophobicContact CG1-CG 3.24Å; V678-P848 HydrophobicContact CB-CG 3.88Å; V678-P848 HydrophobicContact CG1-CG 4.26Å; V678-P848 HydrophobicContact CG2-CG 4.13Å; P848-A895 HydrophobicContact CB-CB 4.38Å; P848-A895 HydrophobicContact CG-CB 4.08Å; P848-A895 VanDerWaalsContact O-CB 3.28Å; P848-A895 WeakPolarHBondContact O-CB 3.39Å; P848-A895 PolarHBondContact O-N 3.34Å; P848-F919 HydrophobicContact CB-CD2 3.96Å; P848-F919 HydrophobicContact CB-CE2 3.73Å; P848-W922 HydrophobicContact CB-CD2 4.35Å; P848-W922 HydrophobicContact CB-CE3 3.84Å; P848-W922 HydrophobicContact CB-CH2 3.93Å; P848-W922 HydrophobicContact CB-CZ2 4.41Å; P848-W922 HydrophobicContact CB-CZ3 3.62Å; P848-W922 HydrophobicContact CG-CE3 4.28Å; P848-W922 HydrophobicContact CG-CH2 4.04Å; P848-W922 HydrophobicContact CG-CZ3 3.66Å
849	Y	96.1	Very high	94.2	Very high	9 Å²	9	18.6 Å²	18.6	4%	0.035	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135	174.6	-86.9	-107.5	0	0	0	111.4	E847 F892 I893 P894 H920 H921 Q923	E847-Y849 HydrophobicContact CG-CD2 4.05Å; E847-Y849 HydrophobicContact CG-CE2 3.49Å; E847-Y849 VanDerWaalsContact CG-CE2 3.49Å; E847-Y849 WeakPolarHBondContact OE1-CE2 3.31Å; E847-Y849 PolarHBondContact OE1-OH 3.35Å; Y849-F892 HydrophobicContact CD1-CB 4.22Å; Y849-I893 WeakPolarHBondContact CA-O 3.42Å; Y849-P894 HydrophobicContact CE1-CB 4.38Å; Y849-P894 HydrophobicContact CE1-CG 3.76Å; Y849-P894 HydrophobicContact CE2-CB 4.48Å; Y849-P894 HydrophobicContact CE2-CG 4.46Å; Y849-H920 PolarHBondContact O-N 3.47Å; Y849-H921 PolarHBondContact N-O 2.88Å; Y849-H921 PolarHBondContact O-N 3.08Å; Y849-Q923 HydrophobicContact CD2-CB 3.63Å; Y849-Q923 HydrophobicContact CE2-CB 3.58Å; Y849-Q923 HydrophobicContact CE2-CG 4.1Å
850	Y	96.5	Very high	94.4	Very high	1 Å²	1	19 Å²	19	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.3	171.3	-76.9	3	0	0	0	110.1	V605 I606 T650 F892 I893 A895 V918 F919	V605-Y850 HydrophobicContact CB-CE1 4.5Å; V605-Y850 HydrophobicContact CG1-CE1 4.3Å; I606-Y850 HydrophobicContact CD1-CE2 4.33Å; I606-Y850 WeakPolarHBondContact CD1-OH 3.35Å; I606-Y850 VanDerWaalsContact CG1-OH 3.3Å; I606-Y850 WeakPolarHBondContact CG1-OH 3.5Å; T650-Y850 PolarHBondContact O-OH 3.24Å; Y850-F892 WeakPolarHBondContact O-CA 3.3Å; Y850-I893 PolarHBondContact N-O 3.18Å; Y850-I893 PolarHBondContact O-N 3.11Å; Y850-A895 HydrophobicContact CD1-CB 3.72Å; Y850-A895 HydrophobicContact CD2-CB 4.21Å; Y850-A895 HydrophobicContact CE1-CB 3.68Å; Y850-A895 HydrophobicContact CE2-CB 4.16Å; Y850-A895 HydrophobicContact CG-CB 4.04Å; Y850-V918 CarbonylContact C-O 3.59Å; Y850-V918 WeakPolarHBondContact CA-O 3.49Å; Y850-F919 HydrophobicContact CD1-CB 4.16Å; Y850-F919 HydrophobicContact CE1-CB 3.89Å; Y850-F919 HydrophobicContact CE1-CD2 4.43Å
851	F	96.5	Very high	94.6	Very high	21 Å²	21	19 Å²	19	9%	0.092	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.9	160.1	-179.7	-95.1	0	0	0	108.3	L233 E853 K890 F892 S917 V918 H920	L233-F851 HydrophobicContact CD1-CD1 3.65Å; L233-F851 HydrophobicContact CD1-CE1 3.67Å; L233-F851 HydrophobicContact CD2-CD1 3.95Å; L233-F851 HydrophobicContact CD2-CE1 4.17Å; L233-F851 HydrophobicContact CG-CD1 4.41Å; L233-F851 HydrophobicContact CG-CE1 4.37Å; F851-E853 HydrophobicContact CE1-CB 4.11Å; F851-K890 HydrophobicContact CE2-CB 3.91Å; F851-K890 HydrophobicContact CE2-CD 4.48Å; F851-K890 HydrophobicContact CE2-CG 4.35Å; F851-K890 HydrophobicContact CZ-CB 3.71Å; F851-K890 HydrophobicContact CZ-CD 3.76Å; F851-K890 HydrophobicContact CZ-CG 3.65Å; F851-F892 HydrophobicContact CB-CD1 4.13Å; F851-F892 HydrophobicContact CB-CE1 3.84Å; F851-F892 HydrophobicContact CD2-CD1 4.15Å; F851-F892 AromaticContact CD2-CE1 3.67Å; F851-F892 HydrophobicContact CD2-CE1 3.67Å; F851-F892 AromaticContact CD2-CZ 3.99Å; F851-F892 HydrophobicContact CD2-CZ 3.99Å; F851-F892 HydrophobicContact CG-CE1 4.26Å; F851-S917 CarbonylContact O-C 3.55Å; F851-S917 WeakPolarHBondContact O-CA 3.49Å; F851-V918 HydrophobicContact CB-CG1 4.26Å; F851-V918 HydrophobicContact CD1-CG1 4.49Å; F851-V918 PolarHBondContact N-O 3.01Å; F851-V918 PolarHBondContact O-N 3.48Å; F851-H920 HydrophobicContact CB-CB 3.84Å
852	V	95.7	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.3	180	-177.8	0	0	0	0	108.4	V854 A891 I893 F901 C915 L916	V852-V854 HydrophobicContact CG1-CG2 3.79Å; V852-A891 PolarHBondContact N-O 3.43Å; V852-A891 PolarHBondContact O-N 3.45Å; V852-I893 HydrophobicContact CG2-CB 4.28Å; V852-I893 HydrophobicContact CG2-CG2 3.47Å; V852-I893 VanDerWaalsContact CG2-CG2 3.47Å; V852-F901 HydrophobicContact CG1-CE1 3.77Å; V852-F901 HydrophobicContact CG1-CZ 4.45Å; V852-C915 HydrophobicContact CG1-CB 4Å; V852-L916 WeakPolarHBondContact CA-O 3.34Å
853	E	95.7	Very high	95	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119	167	-169.1	168.4	99.2	0	0	108.8	M232 L233 F851 T888 K890 C915 L916	M232-E853 WeakPolarHBondContact CA-OE1 3.42Å; L233-E853 HydrophobicContact CB-CB 3.93Å; L233-E853 HydrophobicContact CB-CG 4.39Å; L233-E853 HydrophobicContact CD2-CB 3.97Å; L233-E853 PolarHBondContact N-OE1 2.84Å; L233-E853 PolarHBondContact N-OE2 3.02Å; F851-E853 HydrophobicContact CE1-CB 4.11Å; E853-T888 HydrophobicContact CG-CG2 3.5Å; E853-K890 WeakPolarHBondContact OE2-CE 3.4Å; E853-K890 IonicContact OE2-NZ 2.69Å; E853-C915 CarbonylContact O-C 3.6Å; E853-C915 VanDerWaalsContact O-CA 3.29Å; E853-C915 WeakPolarHBondContact O-CA 3.43Å; E853-L916 PolarHBondContact N-O 3.04Å; E853-L916 PolarHBondContact O-N 3.36Å
854	V	95.8	Very high	95.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127	176.5	-172.3	0	0	0	0	109.2	V852 A856 V864 T888 I889 L905 A913 F914 C915	V852-V854 HydrophobicContact CG1-CG2 3.79Å; V854-A856 HydrophobicContact CG1-CB 4.35Å; V854-V864 HydrophobicContact CB-CG1 4.2Å; V854-V864 HydrophobicContact CG1-CG1 4.05Å; V854-V864 HydrophobicContact CG1-CG2 4.01Å; V854-V864 HydrophobicContact CG2-CG1 3.91Å; V854-T888 CarbonylContact O-C 3.59Å; V854-T888 WeakPolarHBondContact O-CA 3.32Å; V854-I889 HydrophobicContact CB-CB 4.24Å; V854-I889 PolarHBondContact N-O 2.85Å; V854-I889 PolarHBondContact O-N 3.48Å; V854-L905 HydrophobicContact CG1-CD2 3.75Å; V854-L905 HydrophobicContact CG2-CD2 4.12Å; V854-A913 HydrophobicContact CG1-CB 4.16Å; V854-F914 CarbonylContact C-O 3.58Å; V854-F914 WeakPolarHBondContact CA-O 3.49Å; V854-F914 WeakPolarHBondContact CG1-O 3.12Å; V854-C915 HydrophobicContact CB-CB 4.37Å; V854-C915 HydrophobicContact CG1-CB 4.42Å; V854-C915 HydrophobicContact CG2-CB 3.81Å
855	T	94.5	Very high	95	Very high	27 Å²	27	25 Å²	25	17%	0.166	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.5	165.3	52.6	0	0	0	0	109.1	M232 I881 Y887 A913 F914	M232-T855 HydrophobicContact SD-CG2 3.9Å; T855-I881 HydrophobicContact CG2-CD1 4.44Å; T855-Y887 WeakPolarHBondContact CA-O 3.28Å; T855-A913 WeakPolarHBondContact O-CA 3.49Å; T855-F914 PolarHBondContact N-O 3.28Å; T855-F914 PolarHBondContact O-N 2.82Å; T855-F914 PolarHBondContact OG1-O 3.48Å
856	A	94.7	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149	-175.8	0	0	0	0	0	112	V854 C860 V864 Y887 A913	V854-A856 HydrophobicContact CG1-CB 4.35Å; A856-C860 HydrophobicContact CB-CB 4.18Å; A856-V864 HydrophobicContact CB-CG2 4.17Å; A856-Y887 PolarHBondContact N-O 3.49Å; A856-Y887 PolarHBondContact O-N 2.97Å; A856-A913 HydrophobicContact CB-CB 3.75Å
857	P	94.7	Very high	95	Very high	26 Å²	26	28.7 Å²	28.7	17%	0.169	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	154.2	165.2	-21.3	33.5	0	0	0	111.6	D859 C860 V861 L886 Q912	P857-D859 PolarHBondContact O-N 3.32Å; P857-D859 VanDerWaalsContact O-N 3.13Å; P857-C860 PolarHBondContact O-N 2.97Å; P857-V861 PolarHBondContact O-N 2.65Å; P857-L886 HydrophobicContact CB-CD2 4.47Å; P857-L886 HydrophobicContact CG-CD2 4Å; P857-Q912 WeakPolarHBondContact CD-O 3.36Å; P857-Q912 HydrophobicContact CG-CB 4.08Å
858	A	92.3	Very high	94.9	Very high	51 Å²	51	28.7 Å²	28.7	42%	0.421	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-49.7	-40.9	180	0	0	0	0	0	113.6	C860 V861 Y887	A858-C860 VanDerWaalsContact C-N 3.27Å; A858-C860 PolarHBondContact O-N 3.42Å; A858-V861 WeakPolarHBondContact O-CG2 3.3Å; A858-V861 PolarHBondContact O-N 3.07Å; A858-Y887 HydrophobicContact CB-CD2 4.06Å; A858-Y887 HydrophobicContact CB-CE2 3.77Å
859	D	93.9	Very high	94.8	Very high	144 Å²	144	32.3 Å²	32.3	77%	0.77	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-63.3	-32	-179.5	-53.8	-35.5	0	0	0	112.8	P857	P857-D859 PolarHBondContact O-N 3.32Å; P857-D859 VanDerWaalsContact O-N 3.13Å
860	C	94.5	Very high	94.6	Very high	20 Å²	20	40.2 Å²	40.2	14%	0.135	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-84.3	-14.9	-176.3	-68.1	0	0	0	0	113.5	A856 P857 A858 S862 A863 V864 T909	A856-C860 HydrophobicContact CB-CB 4.18Å; P857-C860 PolarHBondContact O-N 2.97Å; A858-C860 VanDerWaalsContact C-N 3.27Å; A858-C860 PolarHBondContact O-N 3.42Å; C860-S862 VanDerWaalsContact C-N 3.27Å; C860-S862 PolarHBondContact O-N 3.04Å; C860-A863 WeakPolarHBondContact O-CB 3.22Å; C860-A863 PolarHBondContact O-N 3.25Å; C860-V864 WeakPolarHBondContact O-CG2 3.29Å; C860-V864 PolarHBondContact O-N 3.17Å; C860-V864 VanDerWaalsContact O-N 3.15Å; C860-T909 HydrophobicContact CB-CG2 4Å
861	V	93.5	Very high	94.5	Very high	19 Å²	19	42.6 Å²	42.6	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-53.4	-44.6	-176	176.5	0	0	0	0	111.5	P857 A858 A863 V864 Y865 Y887 I889	P857-V861 PolarHBondContact O-N 2.65Å; A858-V861 WeakPolarHBondContact O-CG2 3.3Å; A858-V861 PolarHBondContact O-N 3.07Å; V861-A863 VanDerWaalsContact C-N 3.3Å; V861-A863 PolarHBondContact O-N 2.89Å; V861-V864 WeakPolarHBondContact O-CB 3.22Å; V861-V864 PolarHBondContact O-N 3.26Å; V861-V864 VanDerWaalsContact O-N 3.1Å; V861-Y865 HydrophobicContact CG1-CD2 3.97Å; V861-Y865 HydrophobicContact CG1-CE2 3.81Å; V861-Y865 WeakPolarHBondContact O-CD2 3.35Å; V861-Y865 PolarHBondContact O-N 2.87Å; V861-Y865 VanDerWaalsContact O-N 3.14Å; V861-Y887 HydrophobicContact CG2-CD1 4.43Å; V861-Y887 HydrophobicContact CG2-CG 4.1Å; V861-I889 HydrophobicContact CB-CD1 4.3Å; V861-I889 HydrophobicContact CG1-CD1 3.93Å; V861-I889 HydrophobicContact CG2-CD1 4.2Å
862	S	93.4	Very high	94.3	Very high	83 Å²	83	45.1 Å²	45.1	58%	0.58	25%	0.247	S	C	*	.	H	α-helix	trans	-60.5	-34.4	177.9	64.7	0	0	0	0	114	C860 T866	C860-S862 VanDerWaalsContact C-N 3.27Å; C860-S862 PolarHBondContact O-N 3.04Å; S862-T866 PolarHBondContact O-N 2.93Å; S862-T866 VanDerWaalsContact O-N 3.17Å; S862-T866 PolarHBondContact O-OG1 2.81Å
863	A	94.3	Very high	94.2	Very high	26 Å²	26	45.8 Å²	45.8	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-70.2	-38.9	174.9	0	0	0	0	0	111.2	C860 V861 T866 V867 T909	C860-A863 WeakPolarHBondContact O-CB 3.22Å; C860-A863 PolarHBondContact O-N 3.25Å; V861-A863 VanDerWaalsContact C-N 3.3Å; V861-A863 PolarHBondContact O-N 2.89Å; A863-T866 WeakPolarHBondContact O-CB 3.43Å; A863-T866 PolarHBondContact O-N 3.05Å; A863-T866 VanDerWaalsContact O-N 3.11Å; A863-V867 WeakPolarHBondContact O-CG2 3.39Å; A863-V867 PolarHBondContact O-N 3.14Å; A863-T909 HydrophobicContact CB-CG2 4Å
864	V	94.7	Very high	94.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-49.2	175.9	-176.1	0	0	0	0	111	V854 A856 C860 V861 T866 V867 L868 I889 L905 A913	V854-V864 HydrophobicContact CB-CG1 4.2Å; V854-V864 HydrophobicContact CG1-CG1 4.05Å; V854-V864 HydrophobicContact CG1-CG2 4.01Å; V854-V864 HydrophobicContact CG2-CG1 3.91Å; A856-V864 HydrophobicContact CB-CG2 4.17Å; C860-V864 WeakPolarHBondContact O-CG2 3.29Å; C860-V864 PolarHBondContact O-N 3.17Å; C860-V864 VanDerWaalsContact O-N 3.15Å; V861-V864 WeakPolarHBondContact O-CB 3.22Å; V861-V864 PolarHBondContact O-N 3.26Å; V861-V864 VanDerWaalsContact O-N 3.1Å; V864-T866 VanDerWaalsContact C-N 3.27Å; V864-T866 PolarHBondContact O-N 3.36Å; V864-V867 PolarHBondContact O-N 2.94Å; V864-L868 HydrophobicContact CG1-CD1 3.92Å; V864-L868 WeakPolarHBondContact O-CB 3.38Å; V864-L868 WeakPolarHBondContact O-CG 3.2Å; V864-L868 PolarHBondContact O-N 3.18Å; V864-I889 HydrophobicContact CB-CD1 3.73Å; V864-I889 HydrophobicContact CG1-CD1 3.73Å; V864-I889 HydrophobicContact CG1-CG2 4.5Å; V864-I889 HydrophobicContact CG2-CD1 3.75Å; V864-L905 HydrophobicContact CB-CD1 4.2Å; V864-L905 HydrophobicContact CG1-CD1 4.16Å; V864-L905 HydrophobicContact CG2-CD1 4.02Å; V864-A913 HydrophobicContact CG2-CB 4.34Å
865	Y	95.3	Very high	94.1	Very high	89 Å²	89	51.2 Å²	51.2	35%	0.349	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-39.8	174.1	-85.6	-94.1	0	0	0	112.2	V861 A869 V875 D878	V861-Y865 HydrophobicContact CG1-CD2 3.97Å; V861-Y865 HydrophobicContact CG1-CE2 3.81Å; V861-Y865 WeakPolarHBondContact O-CD2 3.35Å; V861-Y865 PolarHBondContact O-N 2.87Å; V861-Y865 VanDerWaalsContact O-N 3.14Å; Y865-A869 VanDerWaalsContact O-CB 3.26Å; Y865-A869 WeakPolarHBondContact O-CB 3.12Å; Y865-A869 PolarHBondContact O-N 2.91Å; Y865-V875 HydrophobicContact CD1-CB 4.43Å; Y865-V875 HydrophobicContact CD1-CG2 3.81Å; Y865-V875 HydrophobicContact CE1-CB 3.74Å; Y865-V875 HydrophobicContact CE1-CG1 4.12Å; Y865-V875 HydrophobicContact CE1-CG2 3.57Å; Y865-V875 HydrophobicContact CE2-CG2 4.4Å; Y865-V875 HydrophobicContact CG-CG2 4.33Å; Y865-D878 PolarHBondContact OH-OD2 3.4Å
866	T	94.6	Very high	94.1	Very high	74 Å²	74	53.4 Å²	53.4	45%	0.454	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-41.2	-179.7	-56.8	0	0	0	0	112.3	S862 A863 V864 R870	S862-T866 PolarHBondContact O-N 2.93Å; S862-T866 VanDerWaalsContact O-N 3.17Å; S862-T866 PolarHBondContact O-OG1 2.81Å; A863-T866 WeakPolarHBondContact O-CB 3.43Å; A863-T866 PolarHBondContact O-N 3.05Å; A863-T866 VanDerWaalsContact O-N 3.11Å; V864-T866 VanDerWaalsContact C-N 3.27Å; V864-T866 PolarHBondContact O-N 3.36Å; T866-R870 WeakPolarHBondContact O-CG 3.36Å
867	V	95.4	Very high	94	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.024	32%	0.315	C	S	.	.	H	α-helix	trans	-71.5	-42.4	177.8	179.8	0	0	0	0	110.9	A863 V864 R870 F901 D904 L905 H908	A863-V867 WeakPolarHBondContact O-CG2 3.39Å; A863-V867 PolarHBondContact O-N 3.14Å; V864-V867 PolarHBondContact O-N 2.94Å; V867-R870 PolarHBondContact O-N 3.06Å; V867-F901 HydrophobicContact CB-CE2 4.45Å; V867-F901 HydrophobicContact CG1-CD2 3.93Å; V867-F901 HydrophobicContact CG1-CE2 3.75Å; V867-D904 HydrophobicContact CG1-CB 4.16Å; V867-L905 HydrophobicContact CB-CD1 4.24Å; V867-L905 HydrophobicContact CG2-CD1 4.38Å; V867-H908 HydrophobicContact CG2-CB 4.05Å
868	L	94.8	Very high	93.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-45.9	175.9	-76.4	169.4	0	0	0	112.2	V864 R870 R871 G873 V875 A891 I893 F901	V864-L868 HydrophobicContact CG1-CD1 3.92Å; V864-L868 WeakPolarHBondContact O-CB 3.38Å; V864-L868 WeakPolarHBondContact O-CG 3.2Å; V864-L868 PolarHBondContact O-N 3.18Å; L868-R870 PolarHBondContact O-N 3.36Å; L868-R871 CarbonylContact O-C 3.34Å; L868-R871 PolarHBondContact O-N 3.49Å; L868-G873 WeakPolarHBondContact O-CA 3.48Å; L868-G873 PolarHBondContact O-N 2.94Å; L868-V875 HydrophobicContact CD1-CG2 3.63Å; L868-A891 HydrophobicContact CD1-CB 3.72Å; L868-A891 HydrophobicContact CD2-CB 4.24Å; L868-I893 HydrophobicContact CD2-CD1 4.4Å; L868-F901 HydrophobicContact CD2-CE2 3.56Å; L868-F901 HydrophobicContact CD2-CZ 3.54Å; L868-F901 HydrophobicContact CG-CE2 3.93Å; L868-F901 HydrophobicContact CG-CZ 3.96Å
869	A	93.2	Very high	93.9	Very high	75 Å²	75	62 Å²	62	62%	0.62	33%	0.33	S	S	*	.	H	α-helix	trans	-61.3	-29.3	-178.3	0	0	0	0	0	113.5	Y865 R871	Y865-A869 VanDerWaalsContact O-CB 3.26Å; Y865-A869 WeakPolarHBondContact O-CB 3.12Å; Y865-A869 PolarHBondContact O-N 2.91Å; A869-R871 VanDerWaalsContact C-N 3.29Å; A869-R871 PolarHBondContact O-N 3.26Å
870	R	93	Very high	93.9	Very high	176 Å²	176	58.3 Å²	58.3	66%	0.664	31%	0.314	S	S	*	.	H	α-helix	trans	-70.4	-23.2	174.3	-71.6	175.3	178.5	176.1	0.7	113.6	T866 V867 L868 H908	T866-R870 WeakPolarHBondContact O-CG 3.36Å; V867-R870 PolarHBondContact O-N 3.06Å; L868-R870 PolarHBondContact O-N 3.36Å; R870-H908 PolarHBondContact NH1-NE2 3.32Å
871	R	93.8	Very high	93.7	Very high	51 Å²	51	57.8 Å²	57.8	19%	0.192	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	31.8	-171.7	-72.4	170.2	170.1	-90.4	7.3	112	L868 A869 G873 I893 D897 F899 D904	L868-R871 CarbonylContact O-C 3.34Å; L868-R871 PolarHBondContact O-N 3.49Å; A869-R871 VanDerWaalsContact C-N 3.29Å; A869-R871 PolarHBondContact O-N 3.26Å; R871-G873 PolarHBondContact O-N 2.96Å; R871-I893 HydrophobicContact CB-CD1 3.92Å; R871-I893 HydrophobicContact CB-CG1 4.43Å; R871-D897 HydrophobicContact CB-CB 4.06Å; R871-D897 WeakPolarHBondContact CD-O 3.27Å; R871-D897 PolarHBondContact NH1-O 3.04Å; R871-D897 WeakPolarHBondContact O-CB 3.46Å; R871-F899 PolarHBondContact NH1-O 3.34Å; R871-F899 PolarHBondContact NH2-O 3.43Å; R871-F899 VanDerWaalsContact NH2-O 3.09Å; R871-D904 IonicContact CZ-OD2 3.79Å; R871-D904 IonicContact NE-OD2 3.82Å; R871-D904 PolarHBondContact NE-OD2 3.01Å; R871-D904 IonicContact NH2-OD2 2.99Å; R871-D904 PolarHBondContact NH2-OD2 2.97Å
872	R	93.5	Very high	93.6	Very high	73 Å²	73	60.2 Å²	60.2	28%	0.275	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	17.7	-175.4	-56.8	-173.6	-66	136.7	-6.6	114.9	E847 P894 D897	E847-R872 IonicContact OE1-CZ 3.99Å; E847-R872 IonicContact OE1-NH1 3.62Å; E847-R872 PolarHBondContact OE1-NH1 3.48Å; E847-R872 IonicContact OE1-NH2 2.83Å; E847-R872 IonicContact OE2-CZ 3.76Å; E847-R872 IonicContact OE2-NH1 3.98Å; E847-R872 PolarHBondContact OE2-NH1 3.29Å; E847-R872 IonicContact OE2-NH2 2.81Å; E847-R872 PolarHBondContact OE2-NH2 2.88Å; R872-P894 HydrophobicContact CB-CG 4.01Å; R872-P894 VanDerWaalsContact CZ-CG 3.44Å; R872-P894 VanDerWaalsContact NH2-CB 3.3Å; R872-P894 VanDerWaalsContact NH2-CG 3.34Å; R872-D897 IonicContact CZ-OD2 3.2Å; R872-D897 IonicContact NE-OD2 3.62Å; R872-D897 PolarHBondContact NE-OD2 2.84Å; R872-D897 IonicContact NH2-OD2 2.7Å; R872-D897 PolarHBondContact NH2-OD2 3.4Å
873	G	92.9	Very high	93.1	Very high	14 Å²	14	58.5 Å²	58.5	14%	0.144	32%	0.321	C	S	.	.			trans	-75.1	136.3	-178.3	0	0	0	0	0	111.7	L868 R871 F892	L868-G873 WeakPolarHBondContact O-CA 3.48Å; L868-G873 PolarHBondContact O-N 2.94Å; R871-G873 PolarHBondContact O-N 2.96Å; G873-F892 CarbonylContact C-O 3.46Å; G873-F892 WeakPolarHBondContact CA-O 3.28Å
874	H	93.3	Very high	92.8	Very high	84 Å²	84	58.2 Å²	58.2	39%	0.389	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127	175.5	63.3	-88.5	0	0	0	110.9	A891 F892	H874-A891 CarbonylContact O-C 3.58Å; H874-A891 WeakPolarHBondContact O-CA 3.32Å; H874-F892 VanDerWaalsContact CE1-CB 3.43Å; H874-F892 WeakPolarHBondContact CE1-CB 3.22Å; H874-F892 PolarHBondContact N-O 2.75Å; H874-F892 AromaticContact NE2-CD2 3.47Å; H874-F892 WeakPolarHBondContact NE2-CD2 3.25Å; H874-F892 AromaticContact NE2-CG 3.97Å; H874-F892 PolarHBondContact O-N 3.1Å
875	V	95.2	Very high	92.6	Very high	39 Å²	39	62.5 Å²	62.5	24%	0.236	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130	175.4	178.8	0	0	0	0	108.9	Y865 L868 I889 A891	Y865-V875 HydrophobicContact CD1-CB 4.43Å; Y865-V875 HydrophobicContact CD1-CG2 3.81Å; Y865-V875 HydrophobicContact CE1-CB 3.74Å; Y865-V875 HydrophobicContact CE1-CG1 4.12Å; Y865-V875 HydrophobicContact CE1-CG2 3.57Å; Y865-V875 HydrophobicContact CE2-CG2 4.4Å; Y865-V875 HydrophobicContact CG-CG2 4.33Å; L868-V875 HydrophobicContact CD1-CG2 3.63Å; V875-I889 HydrophobicContact CG1-CG2 3.69Å; V875-I889 HydrophobicContact CG2-CG2 4.04Å; V875-A891 HydrophobicContact CG2-CB 4.26Å
876	T	94.2	Very high	92.5	Very high	73 Å²	73	60 Å²	60	45%	0.448	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-33.3	177	53.2	0	0	0	0	112.1	K890 F892	T876-K890 PolarHBondContact N-O 2.8Å; T876-K890 PolarHBondContact OG1-O 3.12Å; T876-F892 HydrophobicContact CG2-CD2 3.43Å; T876-F892 VanDerWaalsContact CG2-CD2 3.43Å; T876-F892 HydrophobicContact CG2-CE2 3.66Å
877	Q	93.6	Very high	92.5	Very high	89 Å²	89	60 Å²	60	42%	0.416	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	134.8	-177.3	177.1	170.6	52.5	0	0	111.6	L879 K890	Q877-L879 HydrophobicContact CG-CD1 4.1Å; Q877-L879 HydrophobicContact CG-CG 3.8Å; Q877-K890 HydrophobicContact CB-CB 4.35Å; Q877-K890 PolarHBondContact N-O 3.19Å; Q877-K890 PolarHBondContact O-N 3.08Å
878	D	92.4	Very high	92.5	Very high	79 Å²	79	60.8 Å²	60.8	42%	0.422	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.1	171.4	57.6	-38.5	0	0	0	110	Y865 I889	Y865-D878 PolarHBondContact OH-OD2 3.4Å; D878-I889 HydrophobicContact CB-CG1 4.48Å
879	L	93.3	Very high	92.6	Very high	90 Å²	90	60.8 Å²	60.8	47%	0.471	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.6	-179.2	-73.2	179.4	0	0	0	111.8	Q877 Y887 T888	Q877-L879 HydrophobicContact CG-CD1 4.1Å; Q877-L879 HydrophobicContact CG-CG 3.8Å; L879-Y887 CarbonylContact O-C 3.53Å; L879-Y887 WeakPolarHBondContact O-CA 3.45Å; L879-T888 PolarHBondContact N-O 2.7Å; L879-T888 PolarHBondContact O-N 3.22Å
880	P	93.5	Very high	92.7	Very high	66 Å²	66	58.9 Å²	58.9	43%	0.429	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.7	166.2	29.1	-32.7	0	0	0	110	P882 Y887	P880-P882 VanDerWaalsContact O-CD 3.24Å; P880-P882 WeakPolarHBondContact O-CD 3.42Å; P880-Y887 HydrophobicContact CB-CD1 4.27Å; P880-Y887 HydrophobicContact CB-CD2 4.41Å; P880-Y887 HydrophobicContact CB-CE1 3.92Å; P880-Y887 HydrophobicContact CB-CE2 4.06Å; P880-Y887 HydrophobicContact CG-CE1 4.36Å
881	I	90.9	Very high	92.9	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.046	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-71.1	116.8	173.3	-64.5	177.9	0	0	0	107.9	E229 M232 T855 G883 S884 L886 T888	E229-I881 VanDerWaalsContact O-CG2 3.25Å; E229-I881 WeakPolarHBondContact O-CG2 3.22Å; M232-I881 HydrophobicContact CE-CD1 3.59Å; M232-I881 HydrophobicContact CE-CG1 4.23Å; T855-I881 HydrophobicContact CG2-CD1 4.44Å; I881-G883 PolarHBondContact O-N 2.89Å; I881-S884 PolarHBondContact O-N 2.81Å; I881-L886 WeakPolarHBondContact CB-O 3.32Å; I881-L886 HydrophobicContact CD1-CB 3.92Å; I881-L886 PolarHBondContact N-O 3.37Å; I881-T888 WeakPolarHBondContact CD1-OG1 2.96Å; I881-T888 WeakPolarHBondContact CG1-OG1 3.45Å
882	P	89.5	Confident	93	Very high	69 Å²	69	49.4 Å²	49.4	45%	0.448	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	128.8	-171.4	-26.8	39.6	0	0	0	111.9	K273 H276 P880 S884	K273-P882 VanDerWaalsContact CD-O 3.29Å; K273-P882 WeakPolarHBondContact CD-O 3.26Å; K273-P882 WeakPolarHBondContact CE-O 3.4Å; K273-P882 PolarHBondContact NZ-O 2.89Å; H276-P882 VanDerWaalsContact NE2-CB 3.33Å; H276-P882 WeakPolarHBondContact NE2-CB 3.49Å; H276-P882 VanDerWaalsContact NE2-CG 3.28Å; H276-P882 WeakPolarHBondContact NE2-CG 3.09Å; P880-P882 VanDerWaalsContact O-CD 3.24Å; P880-P882 WeakPolarHBondContact O-CD 3.42Å; P882-S884 VanDerWaalsContact C-N 3.35Å
883	G	83.4	Confident	93.2	Very high	48 Å²	48	45.9 Å²	45.9	50%	0.495	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	18.4	-174.4	0	0	0	0	0	115	L263 I881	L263-G883 VanDerWaalsContact CD1-O 3.24Å; L263-G883 WeakPolarHBondContact CD1-O 3.25Å; I881-G883 PolarHBondContact O-N 2.89Å
884	S	88.6	Confident	93.3	Very high	19 Å²	19	45.2 Å²	45.2	13%	0.133	26%	0.257	C	S	.	.	S	Bend	trans	-133.7	152.4	173.5	176.9	0	0	0	0	109.9	H228 I881 P882 L886	H228-S884 WeakPolarHBondContact NE2-CB 3.16Å; H228-S884 PolarHBondContact NE2-OG 2.86Å; I881-S884 PolarHBondContact O-N 2.81Å; P882-S884 VanDerWaalsContact C-N 3.35Å; S884-L886 PolarHBondContact O-N 3.03Å; S884-L886 PolarHBondContact OG-N 2.91Å
885	P	91	Very high	93.5	Very high	91 Å²	91	41.2 Å²	41.2	59%	0.591	24%	0.239	S	C	*	.	S	Bend	trans	-76.6	0.3	171	32.9	-37.4	0	0	0	113.9
886	L	93.4	Very high	93.4	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	154.6	-177.6	-61.2	176.5	0	0	0	112.1	P857 I881 S884	P857-L886 HydrophobicContact CB-CD2 4.47Å; P857-L886 HydrophobicContact CG-CD2 4Å; I881-L886 WeakPolarHBondContact CB-O 3.32Å; I881-L886 HydrophobicContact CD1-CB 3.92Å; I881-L886 PolarHBondContact N-O 3.37Å; S884-L886 PolarHBondContact O-N 3.03Å; S884-L886 PolarHBondContact OG-N 2.91Å
887	Y	94.6	Very high	93.4	Very high	76 Å²	76	39.5 Å²	39.5	30%	0.298	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.5	172	-81.9	-113	0	0	0	109.9	T855 A856 A858 V861 L879 P880	T855-Y887 WeakPolarHBondContact CA-O 3.28Å; A856-Y887 PolarHBondContact N-O 3.49Å; A856-Y887 PolarHBondContact O-N 2.97Å; A858-Y887 HydrophobicContact CB-CD2 4.06Å; A858-Y887 HydrophobicContact CB-CE2 3.77Å; V861-Y887 HydrophobicContact CG2-CD1 4.43Å; V861-Y887 HydrophobicContact CG2-CG 4.1Å; L879-Y887 CarbonylContact O-C 3.53Å; L879-Y887 WeakPolarHBondContact O-CA 3.45Å; P880-Y887 HydrophobicContact CB-CD1 4.27Å; P880-Y887 HydrophobicContact CB-CD2 4.41Å; P880-Y887 HydrophobicContact CB-CE1 3.92Å; P880-Y887 HydrophobicContact CB-CE2 4.06Å; P880-Y887 HydrophobicContact CG-CE1 4.36Å
888	T	94.7	Very high	93.5	Very high	20 Å²	20	35.8 Å²	35.8	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.3	166.9	-59	0	0	0	0	108.5	E853 V854 L879 I881 K890	E853-T888 HydrophobicContact CG-CG2 3.5Å; V854-T888 CarbonylContact O-C 3.59Å; V854-T888 WeakPolarHBondContact O-CA 3.32Å; L879-T888 PolarHBondContact N-O 2.7Å; L879-T888 PolarHBondContact O-N 3.22Å; I881-T888 WeakPolarHBondContact CD1-OG1 2.96Å; I881-T888 WeakPolarHBondContact CG1-OG1 3.45Å; T888-K890 HydrophobicContact CG2-CG 4.23Å
889	I	95.7	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114.5	176.3	-52.6	160.6	0	0	0	107.1	V854 V861 V864 V875 D878	V854-I889 HydrophobicContact CB-CB 4.24Å; V854-I889 PolarHBondContact N-O 2.85Å; V854-I889 PolarHBondContact O-N 3.48Å; V861-I889 HydrophobicContact CB-CD1 4.3Å; V861-I889 HydrophobicContact CG1-CD1 3.93Å; V861-I889 HydrophobicContact CG2-CD1 4.2Å; V864-I889 HydrophobicContact CB-CD1 3.73Å; V864-I889 HydrophobicContact CG1-CD1 3.73Å; V864-I889 HydrophobicContact CG1-CG2 4.5Å; V864-I889 HydrophobicContact CG2-CD1 3.75Å; V875-I889 HydrophobicContact CG1-CG2 3.69Å; V875-I889 HydrophobicContact CG2-CG2 4.04Å; D878-I889 HydrophobicContact CB-CG1 4.48Å
890	K	96.1	Very high	93.6	Very high	35 Å²	35	30.5 Å²	30.5	15%	0.152	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.6	175.4	-66.2	-175.1	160.7	-167.8	0	108	E236 F851 E853 T876 Q877 T888	E236-K890 IonicContact OE1-NZ 2.7Å; E236-K890 PolarHBondContact OE1-NZ 2.81Å; E236-K890 IonicContact OE2-NZ 3.68Å; F851-K890 HydrophobicContact CE2-CB 3.91Å; F851-K890 HydrophobicContact CE2-CD 4.48Å; F851-K890 HydrophobicContact CE2-CG 4.35Å; F851-K890 HydrophobicContact CZ-CB 3.71Å; F851-K890 HydrophobicContact CZ-CD 3.76Å; F851-K890 HydrophobicContact CZ-CG 3.65Å; E853-K890 WeakPolarHBondContact OE2-CE 3.4Å; E853-K890 IonicContact OE2-NZ 2.69Å; T876-K890 PolarHBondContact N-O 2.8Å; T876-K890 PolarHBondContact OG1-O 3.12Å; Q877-K890 HydrophobicContact CB-CB 4.35Å; Q877-K890 PolarHBondContact N-O 3.19Å; Q877-K890 PolarHBondContact O-N 3.08Å; T888-K890 HydrophobicContact CG2-CG 4.23Å
891	A	96.7	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	164.1	-175	0	0	0	0	0	111.7	V852 L868 H874 V875	V852-A891 PolarHBondContact N-O 3.43Å; V852-A891 PolarHBondContact O-N 3.45Å; L868-A891 HydrophobicContact CD1-CB 3.72Å; L868-A891 HydrophobicContact CD2-CB 4.24Å; H874-A891 CarbonylContact O-C 3.58Å; H874-A891 WeakPolarHBondContact O-CA 3.32Å; V875-A891 HydrophobicContact CG2-CB 4.26Å
892	F	97.5	Very high	93.7	Very high	28 Å²	28	29.6 Å²	29.6	12%	0.123	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.7	169.6	-74.4	-62.3	0	0	0	110	Y849 Y850 F851 G873 H874 T876 H920 H921	Y849-F892 HydrophobicContact CD1-CB 4.22Å; Y850-F892 WeakPolarHBondContact O-CA 3.3Å; F851-F892 HydrophobicContact CB-CD1 4.13Å; F851-F892 HydrophobicContact CB-CE1 3.84Å; F851-F892 HydrophobicContact CD2-CD1 4.15Å; F851-F892 AromaticContact CD2-CE1 3.67Å; F851-F892 HydrophobicContact CD2-CE1 3.67Å; F851-F892 AromaticContact CD2-CZ 3.99Å; F851-F892 HydrophobicContact CD2-CZ 3.99Å; F851-F892 HydrophobicContact CG-CE1 4.26Å; G873-F892 CarbonylContact C-O 3.46Å; G873-F892 WeakPolarHBondContact CA-O 3.28Å; H874-F892 VanDerWaalsContact CE1-CB 3.43Å; H874-F892 WeakPolarHBondContact CE1-CB 3.22Å; H874-F892 PolarHBondContact N-O 2.75Å; H874-F892 AromaticContact NE2-CD2 3.47Å; H874-F892 WeakPolarHBondContact NE2-CD2 3.25Å; H874-F892 AromaticContact NE2-CG 3.97Å; H874-F892 PolarHBondContact O-N 3.1Å; T876-F892 HydrophobicContact CG2-CD2 3.43Å; T876-F892 VanDerWaalsContact CG2-CD2 3.43Å; T876-F892 HydrophobicContact CG2-CE2 3.66Å; F892-H920 HydrophobicContact CE1-CB 3.96Å; F892-H920 AromaticContact CE1-CD2 3.69Å; F892-H920 AromaticContact CE1-CG 3.6Å; F892-H920 AromaticContact CE1-ND1 3.92Å; F892-H920 AromaticContact CZ-NE2 3.91Å; F892-H921 AromaticContact CD1-CE1 3.78Å; F892-H921 AromaticContact CE1-CE1 3.73Å; F892-H921 AromaticContact CE1-ND1 3.75Å
893	I	96.2	Very high	93.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142	176.7	-162.9	171.5	0	0	0	109.1	Y849 Y850 V852 L868 R871 A895 D897 F901	Y849-I893 WeakPolarHBondContact CA-O 3.42Å; Y850-I893 PolarHBondContact N-O 3.18Å; Y850-I893 PolarHBondContact O-N 3.11Å; V852-I893 HydrophobicContact CG2-CB 4.28Å; V852-I893 HydrophobicContact CG2-CG2 3.47Å; V852-I893 VanDerWaalsContact CG2-CG2 3.47Å; L868-I893 HydrophobicContact CD2-CD1 4.4Å; R871-I893 HydrophobicContact CB-CD1 3.92Å; R871-I893 HydrophobicContact CB-CG1 4.43Å; I893-A895 PolarHBondContact O-N 3.26Å; I893-D897 HydrophobicContact CG1-CB 4.49Å; I893-F901 HydrophobicContact CD1-CB 4.38Å; I893-F901 HydrophobicContact CD1-CD2 3.78Å; I893-F901 HydrophobicContact CD1-CE2 4.27Å; I893-F901 HydrophobicContact CD1-CG 4.02Å
894	P	96.5	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	136	167	-17.3	28.9	0	0	0	109.7	Y849 R872 I896 D897 S898	Y849-P894 HydrophobicContact CE1-CB 4.38Å; Y849-P894 HydrophobicContact CE1-CG 3.76Å; Y849-P894 HydrophobicContact CE2-CB 4.48Å; Y849-P894 HydrophobicContact CE2-CG 4.46Å; R872-P894 HydrophobicContact CB-CG 4.01Å; R872-P894 VanDerWaalsContact CZ-CG 3.44Å; R872-P894 VanDerWaalsContact NH2-CB 3.3Å; R872-P894 VanDerWaalsContact NH2-CG 3.34Å; P894-I896 VanDerWaalsContact C-N 3.25Å; P894-I896 HydrophobicContact CB-CG2 4.16Å; P894-I896 PolarHBondContact O-N 3.13Å; P894-D897 HydrophobicContact CB-CB 4.25Å; P894-D897 HydrophobicContact CG-CB 4.38Å; P894-D897 WeakPolarHBondContact CG-OD2 3.47Å; P894-D897 CarbonylContact O-C 3.49Å; P894-D897 PolarHBondContact O-N 3.49Å; P894-S898 PolarHBondContact O-N 2.94Å; P894-S898 VanDerWaalsContact O-N 3.17Å
895	A	95.8	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-63.9	-31.8	-177.6	0	0	0	0	0	112.4	V605 V678 P848 Y850 I893 D897 S898	V605-A895 HydrophobicContact CG1-CB 4.41Å; V678-A895 HydrophobicContact CG1-CB 3.8Å; P848-A895 HydrophobicContact CB-CB 4.38Å; P848-A895 HydrophobicContact CG-CB 4.08Å; P848-A895 VanDerWaalsContact O-CB 3.28Å; P848-A895 WeakPolarHBondContact O-CB 3.39Å; P848-A895 PolarHBondContact O-N 3.34Å; Y850-A895 HydrophobicContact CD1-CB 3.72Å; Y850-A895 HydrophobicContact CD2-CB 4.21Å; Y850-A895 HydrophobicContact CE1-CB 3.68Å; Y850-A895 HydrophobicContact CE2-CB 4.16Å; Y850-A895 HydrophobicContact CG-CB 4.04Å; I893-A895 PolarHBondContact O-N 3.26Å; A895-D897 VanDerWaalsContact C-N 3.29Å; A895-D897 PolarHBondContact O-N 2.91Å; A895-S898 WeakPolarHBondContact O-CB 3.45Å; A895-S898 PolarHBondContact O-N 3.34Å; A895-S898 VanDerWaalsContact O-N 3.13Å; A895-S898 PolarHBondContact O-OG 2.83Å
896	I	94.1	Very high	94.7	Very high	32 Å²	32	31.1 Å²	31.1	16%	0.164	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.3	-34.1	173.7	-164	80.7	0	0	0	112.1	V677 V678 P894 S898 F899 F951	V677-I896 HydrophobicContact CB-CD1 4.34Å; V678-I896 HydrophobicContact CG1-CB 4.25Å; V678-I896 HydrophobicContact CG1-CD1 4.31Å; V678-I896 HydrophobicContact CG2-CB 4.25Å; V678-I896 HydrophobicContact CG2-CD1 4.1Å; P894-I896 VanDerWaalsContact C-N 3.25Å; P894-I896 HydrophobicContact CB-CG2 4.16Å; P894-I896 PolarHBondContact O-N 3.13Å; I896-S898 VanDerWaalsContact C-N 3.3Å; I896-F899 HydrophobicContact CD1-CE2 3.85Å; I896-F899 HydrophobicContact CD1-CZ 4.48Å; I896-F899 HydrophobicContact CG1-CE2 4.34Å; I896-F899 WeakPolarHBondContact O-CD2 3.49Å; I896-F899 WeakPolarHBondContact O-CE2 3.4Å; I896-F951 HydrophobicContact CG2-CE2 4.49Å; I896-F951 HydrophobicContact CG2-CZ 4.08Å
897	D	94.2	Very high	94.8	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-89.6	3.9	177.6	-63.5	-42.8	0	0	0	112.5	R871 R872 I893 P894 A895	R871-D897 HydrophobicContact CB-CB 4.06Å; R871-D897 WeakPolarHBondContact CD-O 3.27Å; R871-D897 PolarHBondContact NH1-O 3.04Å; R871-D897 WeakPolarHBondContact O-CB 3.46Å; R872-D897 IonicContact CZ-OD2 3.2Å; R872-D897 IonicContact NE-OD2 3.62Å; R872-D897 PolarHBondContact NE-OD2 2.84Å; R872-D897 IonicContact NH2-OD2 2.7Å; R872-D897 PolarHBondContact NH2-OD2 3.4Å; I893-D897 HydrophobicContact CG1-CB 4.49Å; P894-D897 HydrophobicContact CB-CB 4.25Å; P894-D897 HydrophobicContact CG-CB 4.38Å; P894-D897 WeakPolarHBondContact CG-OD2 3.47Å; P894-D897 CarbonylContact O-C 3.49Å; P894-D897 PolarHBondContact O-N 3.49Å; A895-D897 VanDerWaalsContact C-N 3.29Å; A895-D897 PolarHBondContact O-N 2.91Å
898	S	95	Very high	94.7	Very high	11 Å²	11	35.8 Å²	35.8	8%	0.077	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-88.9	-14.6	-179.9	80.3	0	0	0	0	114.3	P894 A895 I896 G900 F901	P894-S898 PolarHBondContact O-N 2.94Å; P894-S898 VanDerWaalsContact O-N 3.17Å; A895-S898 WeakPolarHBondContact O-CB 3.45Å; A895-S898 PolarHBondContact O-N 3.34Å; A895-S898 VanDerWaalsContact O-N 3.13Å; A895-S898 PolarHBondContact O-OG 2.83Å; I896-S898 VanDerWaalsContact C-N 3.3Å; S898-G900 PolarHBondContact O-N 2.88Å; S898-F901 WeakPolarHBondContact O-CB 3.5Å; S898-F901 PolarHBondContact O-N 3.3Å
899	F	94.4	Very high	94.7	Very high	41 Å²	41	35.2 Å²	35.2	18%	0.18	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	124.5	-179.6	-53.7	-46.7	0	0	0	111.6	I606 P676 V678 R871 I896 F901	I606-F899 HydrophobicContact CB-CE1 4.45Å; I606-F899 HydrophobicContact CD1-CD1 4.47Å; I606-F899 HydrophobicContact CD1-CE1 3.87Å; I606-F899 HydrophobicContact CG1-CE1 3.92Å; I606-F899 HydrophobicContact CG2-CE1 3.72Å; I606-F899 HydrophobicContact CG2-CZ 4.17Å; P676-F899 HydrophobicContact CB-CD1 4.09Å; P676-F899 HydrophobicContact CB-CD2 4.5Å; P676-F899 HydrophobicContact CB-CE1 3.73Å; P676-F899 HydrophobicContact CB-CE2 4.15Å; P676-F899 HydrophobicContact CB-CG 4.48Å; P676-F899 HydrophobicContact CB-CZ 3.76Å; P676-F899 HydrophobicContact CG-CD1 3.89Å; P676-F899 HydrophobicContact CG-CD2 3.99Å; P676-F899 HydrophobicContact CG-CE1 4.03Å; P676-F899 HydrophobicContact CG-CE2 4.11Å; P676-F899 HydrophobicContact CG-CG 3.88Å; P676-F899 HydrophobicContact CG-CZ 4.14Å; P676-F899 WeakPolarHBondContact O-CE2 3.18Å; P676-F899 WeakPolarHBondContact O-CZ 3.32Å; V678-F899 HydrophobicContact CG1-CZ 4.17Å; R871-F899 PolarHBondContact NH1-O 3.34Å; R871-F899 PolarHBondContact NH2-O 3.43Å; R871-F899 VanDerWaalsContact NH2-O 3.09Å; I896-F899 HydrophobicContact CD1-CE2 3.85Å; I896-F899 HydrophobicContact CD1-CZ 4.48Å; I896-F899 HydrophobicContact CG1-CE2 4.34Å; I896-F899 WeakPolarHBondContact O-CD2 3.49Å; I896-F899 WeakPolarHBondContact O-CE2 3.4Å; F899-F901 PolarHBondContact O-N 3.49Å
900	G	92.9	Very high	94.6	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	6.8	-174.4	0	0	0	0	0	114.9	E652 S898 E902 T903 D904	E652-G900 PolarHBondContact OE2-N 2.75Å; S898-G900 PolarHBondContact O-N 2.88Å; G900-E902 PolarHBondContact O-N 3.06Å; G900-T903 PolarHBondContact O-N 2.96Å; G900-D904 PolarHBondContact O-N 3.37Å
901	F	94.6	Very high	94.3	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.022	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-41.1	179.9	171.9	-97.9	0	0	0	112.2	V852 V867 L868 I893 S898 F899 T903 L905 C915	V852-F901 HydrophobicContact CG1-CE1 3.77Å; V852-F901 HydrophobicContact CG1-CZ 4.45Å; V867-F901 HydrophobicContact CB-CE2 4.45Å; V867-F901 HydrophobicContact CG1-CD2 3.93Å; V867-F901 HydrophobicContact CG1-CE2 3.75Å; L868-F901 HydrophobicContact CD2-CE2 3.56Å; L868-F901 HydrophobicContact CD2-CZ 3.54Å; L868-F901 HydrophobicContact CG-CE2 3.93Å; L868-F901 HydrophobicContact CG-CZ 3.96Å; I893-F901 HydrophobicContact CD1-CB 4.38Å; I893-F901 HydrophobicContact CD1-CD2 3.78Å; I893-F901 HydrophobicContact CD1-CE2 4.27Å; I893-F901 HydrophobicContact CD1-CG 4.02Å; S898-F901 WeakPolarHBondContact O-CB 3.5Å; S898-F901 PolarHBondContact O-N 3.3Å; F899-F901 PolarHBondContact O-N 3.49Å; F901-T903 VanDerWaalsContact C-N 3.35Å; F901-L905 HydrophobicContact CE1-CD2 3.98Å; F901-L905 HydrophobicContact CZ-CD1 4.39Å; F901-L905 HydrophobicContact CZ-CD2 4.03Å; F901-L905 WeakPolarHBondContact O-CB 3.28Å; F901-L905 PolarHBondContact O-N 3.11Å; F901-C915 HydrophobicContact CE1-CB 4.07Å
902	E	92.1	Very high	94.1	Very high	50 Å²	50	49.7 Å²	49.7	23%	0.234	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-46.3	175.6	-169.2	-160.9	142.6	0	0	110.8	G900 L905 R906	G900-E902 PolarHBondContact O-N 3.06Å; E902-L905 PolarHBondContact O-N 3.39Å; E902-R906 HydrophobicContact CG-CG 4.38Å; E902-R906 WeakPolarHBondContact O-CB 3.43Å; E902-R906 VanDerWaalsContact O-CG 3.25Å; E902-R906 WeakPolarHBondContact O-CG 3.47Å; E902-R906 PolarHBondContact O-N 3.19Å; E902-R906 VanDerWaalsContact OE1-CD 3.27Å; E902-R906 WeakPolarHBondContact OE1-CD 3.28Å; E902-R906 IonicContact OE1-CZ 3.68Å; E902-R906 IonicContact OE1-NE 3.76Å; E902-R906 IonicContact OE1-NH1 2.71Å; E902-R906 PolarHBondContact OE1-NH1 2.84Å
903	T	93	Very high	93.9	Very high	80 Å²	80	48.4 Å²	48.4	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-48	-179.9	-55	0	0	0	0	111.7	G900 F901 L905 R906 T907	G900-T903 PolarHBondContact O-N 2.96Å; F901-T903 VanDerWaalsContact C-N 3.35Å; T903-L905 PolarHBondContact O-N 3.49Å; T903-R906 PolarHBondContact O-N 3.12Å; T903-T907 WeakPolarHBondContact O-CB 3.5Å; T903-T907 PolarHBondContact O-N 3.23Å; T903-T907 PolarHBondContact O-OG1 3.18Å; T903-T907 VanDerWaalsContact O-OG1 3.1Å
904	D	94.1	Very high	93.7	Very high	64 Å²	64	51 Å²	51	34%	0.342	27%	0.267	S	S	.	.	H	α-helix	trans	-58.5	-46.8	174.7	-83.6	-4.5	0	0	0	111.5	V867 R871 G900 T907 H908	V867-D904 HydrophobicContact CG1-CB 4.16Å; R871-D904 IonicContact CZ-OD2 3.79Å; R871-D904 IonicContact NE-OD2 3.82Å; R871-D904 PolarHBondContact NE-OD2 3.01Å; R871-D904 IonicContact NH2-OD2 2.99Å; R871-D904 PolarHBondContact NH2-OD2 2.97Å; G900-D904 PolarHBondContact O-N 3.37Å; D904-T907 PolarHBondContact O-N 3.35Å; D904-H908 WeakPolarHBondContact O-CB 3.43Å; D904-H908 PolarHBondContact O-CD2 3.45Å; D904-H908 PolarHBondContact O-N 3.01Å
905	L	94.4	Very high	93.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.3	-45.1	-177.5	-172.5	69.5	0	0	0	111.3	V854 V864 V867 F901 E902 T903 H908 T909 A913 C915	V854-L905 HydrophobicContact CG1-CD2 3.75Å; V854-L905 HydrophobicContact CG2-CD2 4.12Å; V864-L905 HydrophobicContact CB-CD1 4.2Å; V864-L905 HydrophobicContact CG1-CD1 4.16Å; V864-L905 HydrophobicContact CG2-CD1 4.02Å; V867-L905 HydrophobicContact CB-CD1 4.24Å; V867-L905 HydrophobicContact CG2-CD1 4.38Å; F901-L905 HydrophobicContact CE1-CD2 3.98Å; F901-L905 HydrophobicContact CZ-CD1 4.39Å; F901-L905 HydrophobicContact CZ-CD2 4.03Å; F901-L905 WeakPolarHBondContact O-CB 3.28Å; F901-L905 PolarHBondContact O-N 3.11Å; E902-L905 PolarHBondContact O-N 3.39Å; T903-L905 PolarHBondContact O-N 3.49Å; L905-H908 PolarHBondContact O-N 2.95Å; L905-T909 WeakPolarHBondContact O-CB 3.25Å; L905-T909 WeakPolarHBondContact O-CG2 3.43Å; L905-T909 PolarHBondContact O-N 2.99Å; L905-T909 PolarHBondContact O-OG1 2.92Å; L905-A913 HydrophobicContact CD2-CB 4.38Å; L905-A913 HydrophobicContact CG-CB 4.24Å; L905-C915 HydrophobicContact CD2-CB 3.72Å
906	R	93.2	Very high	93.5	Very high	115 Å²	115	51.4 Å²	51.4	43%	0.434	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-42.2	176.7	-71.1	175.1	72	-177.6	-2.7	110.9	E902 T903 T909 Q910 G911 A913	E902-R906 HydrophobicContact CG-CG 4.38Å; E902-R906 WeakPolarHBondContact O-CB 3.43Å; E902-R906 VanDerWaalsContact O-CG 3.25Å; E902-R906 WeakPolarHBondContact O-CG 3.47Å; E902-R906 PolarHBondContact O-N 3.19Å; E902-R906 VanDerWaalsContact OE1-CD 3.27Å; E902-R906 WeakPolarHBondContact OE1-CD 3.28Å; E902-R906 IonicContact OE1-CZ 3.68Å; E902-R906 IonicContact OE1-NE 3.76Å; E902-R906 IonicContact OE1-NH1 2.71Å; E902-R906 PolarHBondContact OE1-NH1 2.84Å; T903-R906 PolarHBondContact O-N 3.12Å; R906-T909 CarbonylContact O-C 3.49Å; R906-T909 PolarHBondContact O-N 3.39Å; R906-Q910 PolarHBondContact O-N 3.45Å; R906-G911 PolarHBondContact O-N 3.44Å; R906-A913 WeakPolarHBondContact CG-O 3.38Å
907	T	94.8	Very high	93.5	Very high	109 Å²	109	51.3 Å²	51.3	67%	0.669	27%	0.272	S	S	*	.	H	α-helix	trans	-63.6	-46	175.8	-67.1	0	0	0	0	111.4	T903 D904 T909 Q910	T903-T907 WeakPolarHBondContact O-CB 3.5Å; T903-T907 PolarHBondContact O-N 3.23Å; T903-T907 PolarHBondContact O-OG1 3.18Å; T903-T907 VanDerWaalsContact O-OG1 3.1Å; D904-T907 PolarHBondContact O-N 3.35Å; T907-T909 VanDerWaalsContact C-N 3.27Å; T907-T909 PolarHBondContact O-N 3.16Å; T907-Q910 PolarHBondContact O-N 3.04Å
908	H	93.5	Very high	93.5	Very high	101 Å²	101	49.4 Å²	49.4	47%	0.468	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-25	178	-91.8	-66.9	0	0	0	114.2	V867 R870 D904 L905	V867-H908 HydrophobicContact CG2-CB 4.05Å; R870-H908 PolarHBondContact NH1-NE2 3.32Å; D904-H908 WeakPolarHBondContact O-CB 3.43Å; D904-H908 PolarHBondContact O-CD2 3.45Å; D904-H908 PolarHBondContact O-N 3.01Å; L905-H908 PolarHBondContact O-N 2.95Å
909	T	93.6	Very high	93.5	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.043	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	13.1	-179.5	62.2	0	0	0	0	113.8	C860 A863 L905 R906 T907 G911 Q912 A913	C860-T909 HydrophobicContact CB-CG2 4Å; A863-T909 HydrophobicContact CB-CG2 4Å; L905-T909 WeakPolarHBondContact O-CB 3.25Å; L905-T909 WeakPolarHBondContact O-CG2 3.43Å; L905-T909 PolarHBondContact O-N 2.99Å; L905-T909 PolarHBondContact O-OG1 2.92Å; R906-T909 CarbonylContact O-C 3.49Å; R906-T909 PolarHBondContact O-N 3.39Å; T907-T909 VanDerWaalsContact C-N 3.27Å; T907-T909 PolarHBondContact O-N 3.16Å; T909-G911 PolarHBondContact O-N 2.86Å; T909-Q912 VanDerWaalsContact O-CB 3.25Å; T909-Q912 WeakPolarHBondContact O-CB 3.38Å; T909-Q912 VanDerWaalsContact O-CG 3.29Å; T909-Q912 WeakPolarHBondContact O-CG 3.38Å; T909-Q912 PolarHBondContact O-N 3.03Å; T909-A913 HydrophobicContact CG2-CB 3.73Å; T909-A913 WeakPolarHBondContact OG1-CB 3.39Å; T909-A913 PolarHBondContact OG1-N 2.79Å; T909-A913 VanDerWaalsContact OG1-N 3.13Å
910	Q	93	Very high	93.5	Very high	178 Å²	178	52.9 Å²	52.9	83%	0.832	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	34.9	-178	-55.2	179.8	-5.8	0	0	113.4	R906 T907 Q912	R906-Q910 PolarHBondContact O-N 3.45Å; T907-Q910 PolarHBondContact O-N 3.04Å; Q910-Q912 VanDerWaalsContact C-N 3.28Å; Q910-Q912 PolarHBondContact O-N 2.75Å
911	G	90.9	Very high	93.5	Very high	44 Å²	44	53.7 Å²	53.7	45%	0.454	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	6	-178.4	0	0	0	0	0	115.2	R906 T909	R906-G911 PolarHBondContact O-N 3.44Å; T909-G911 PolarHBondContact O-N 2.86Å
912	Q	92.4	Very high	93.5	Very high	118 Å²	118	54.9 Å²	54.9	55%	0.551	28%	0.28	S	S	*	.			trans	-78.4	-33.7	-178.1	-62.6	-62.4	-46.3	0	0	113.4	P857 T909 Q910	P857-Q912 WeakPolarHBondContact CD-O 3.36Å; P857-Q912 HydrophobicContact CG-CB 4.08Å; T909-Q912 VanDerWaalsContact O-CB 3.25Å; T909-Q912 WeakPolarHBondContact O-CB 3.38Å; T909-Q912 VanDerWaalsContact O-CG 3.29Å; T909-Q912 WeakPolarHBondContact O-CG 3.38Å; T909-Q912 PolarHBondContact O-N 3.03Å; Q910-Q912 VanDerWaalsContact C-N 3.28Å; Q910-Q912 PolarHBondContact O-N 2.75Å
913	A	93.4	Very high	93.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.			trans	-90.5	138.7	171.4	0	0	0	0	0	110.3	V854 T855 A856 V864 L905 R906 T909	V854-A913 HydrophobicContact CG1-CB 4.16Å; T855-A913 WeakPolarHBondContact O-CA 3.49Å; A856-A913 HydrophobicContact CB-CB 3.75Å; V864-A913 HydrophobicContact CG2-CB 4.34Å; L905-A913 HydrophobicContact CD2-CB 4.38Å; L905-A913 HydrophobicContact CG-CB 4.24Å; R906-A913 WeakPolarHBondContact CG-O 3.38Å; T909-A913 HydrophobicContact CG2-CB 3.73Å; T909-A913 WeakPolarHBondContact OG1-CB 3.39Å; T909-A913 PolarHBondContact OG1-N 2.79Å; T909-A913 VanDerWaalsContact OG1-N 3.13Å
914	F	92.3	Very high	93.7	Very high	55 Å²	55	55.6 Å²	55.6	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.5	173.9	179.4	-106.2	0	0	0	109.3	L134 V854 T855 L916	L134-F914 HydrophobicContact CD2-CE1 3.62Å; L134-F914 HydrophobicContact CD2-CE2 4.44Å; L134-F914 HydrophobicContact CD2-CZ 3.39Å; V854-F914 CarbonylContact C-O 3.58Å; V854-F914 WeakPolarHBondContact CA-O 3.49Å; V854-F914 WeakPolarHBondContact CG1-O 3.12Å; T855-F914 PolarHBondContact N-O 3.28Å; T855-F914 PolarHBondContact O-N 2.82Å; T855-F914 PolarHBondContact OG1-O 3.48Å; F914-L916 HydrophobicContact CE1-CD1 4.03Å; F914-L916 HydrophobicContact CE1-CD2 3.88Å; F914-L916 HydrophobicContact CE1-CG 3.65Å; F914-L916 HydrophobicContact CZ-CD2 3.78Å; F914-L916 HydrophobicContact CZ-CG 4.05Å
915	C	93.4	Very high	93.8	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.6	-179.4	67.3	0	0	0	0	112.5	V852 E853 V854 F901 L905	V852-C915 HydrophobicContact CG1-CB 4Å; E853-C915 CarbonylContact O-C 3.6Å; E853-C915 VanDerWaalsContact O-CA 3.29Å; E853-C915 WeakPolarHBondContact O-CA 3.43Å; V854-C915 HydrophobicContact CB-CB 4.37Å; V854-C915 HydrophobicContact CG1-CB 4.42Å; V854-C915 HydrophobicContact CG2-CB 3.81Å; F901-C915 HydrophobicContact CE1-CB 4.07Å; L905-C915 HydrophobicContact CD2-CB 3.72Å
916	L	94.6	Very high	93.7	Very high	5 Å²	5	55 Å²	55	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.4	167.8	-70	167.6	0	0	0	109.2	H133 L134 H204 V205 L233 V852 E853 F914	H133-L916 WeakPolarHBondContact CE1-CD1 3.39Å; H133-L916 WeakPolarHBondContact NE2-CD1 3.33Å; L134-L916 HydrophobicContact CB-CD1 4.41Å; L134-L916 HydrophobicContact CD2-CD2 4.38Å; H204-L916 VanDerWaalsContact NE2-CD2 3.26Å; H204-L916 WeakPolarHBondContact NE2-CD2 3.32Å; V205-L916 HydrophobicContact CG2-CB 4.05Å; V205-L916 HydrophobicContact CG2-CD1 4.04Å; V205-L916 HydrophobicContact CG2-CD2 4.42Å; V205-L916 HydrophobicContact CG2-CG 4.41Å; L233-L916 HydrophobicContact CD2-CB 4.28Å; V852-L916 WeakPolarHBondContact CA-O 3.34Å; E853-L916 PolarHBondContact N-O 3.04Å; E853-L916 PolarHBondContact O-N 3.36Å; F914-L916 HydrophobicContact CE1-CD1 4.03Å; F914-L916 HydrophobicContact CE1-CD2 3.88Å; F914-L916 HydrophobicContact CE1-CG 3.65Å; F914-L916 HydrophobicContact CZ-CD2 3.78Å; F914-L916 HydrophobicContact CZ-CG 4.05Å
917	S	94.2	Very high	93.6	Very high	29 Å²	29	50.4 Å²	50.4	20%	0.203	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.2	175.7	55.2	0	0	0	0	110.8	N206 F851	N206-S917 PolarHBondContact OD1-O 3.16Å; F851-S917 CarbonylContact O-C 3.55Å; F851-S917 WeakPolarHBondContact O-CA 3.49Å
918	V	94.4	Very high	93.5	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.3	173.2	67.7	0	0	0	0	111.2	V205 L233 Y850 F851 H920	V205-V918 HydrophobicContact CB-CB 4.46Å; V205-V918 HydrophobicContact CG1-CB 3.68Å; V205-V918 HydrophobicContact CG1-CG1 4.35Å; V205-V918 HydrophobicContact CG1-CG2 3.53Å; L233-V918 HydrophobicContact CD1-CG1 4.15Å; L233-V918 HydrophobicContact CD2-CG1 3.99Å; L233-V918 HydrophobicContact CG-CG1 4.5Å; Y850-V918 CarbonylContact C-O 3.59Å; Y850-V918 WeakPolarHBondContact CA-O 3.49Å; F851-V918 HydrophobicContact CB-CG1 4.26Å; F851-V918 HydrophobicContact CD1-CG1 4.49Å; F851-V918 PolarHBondContact N-O 3.01Å; F851-V918 PolarHBondContact O-N 3.48Å; V918-H920 PolarHBondContact O-N 3.47Å
919	F	95	Very high	93.4	Very high	20 Å²	20	41.3 Å²	41.3	9%	0.088	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	132	171.6	177.2	-102.3	0	0	0	111.9	R603 V605 P848 Y850 H921 W922	R603-F919 HydrophobicContact CB-CD1 4.07Å; R603-F919 HydrophobicContact CB-CE1 4.45Å; R603-F919 HydrophobicContact CG-CD1 4.32Å; R603-F919 HydrophobicContact CG-CE1 4.37Å; V605-F919 HydrophobicContact CG2-CB 4.32Å; V605-F919 HydrophobicContact CG2-CD2 3.79Å; V605-F919 HydrophobicContact CG2-CE2 4.36Å; V605-F919 HydrophobicContact CG2-CG 3.97Å; P848-F919 HydrophobicContact CB-CD2 3.96Å; P848-F919 HydrophobicContact CB-CE2 3.73Å; Y850-F919 HydrophobicContact CD1-CB 4.16Å; Y850-F919 HydrophobicContact CE1-CB 3.89Å; Y850-F919 HydrophobicContact CE1-CD2 4.43Å; F919-H921 VanDerWaalsContact CE2-O 3.31Å; F919-H921 WeakPolarHBondContact CE2-O 3.34Å; F919-W922 HydrophobicContact CE2-CD2 4.4Å; F919-W922 AromaticContact CE2-CE2 3.98Å; F919-W922 HydrophobicContact CE2-CZ2 4.32Å; F919-W922 AromaticContact CE2-NE1 3.96Å; F919-W922 AromaticContact CZ-CD1 3.7Å; F919-W922 HydrophobicContact CZ-CD2 4.46Å; F919-W922 AromaticContact CZ-CE2 3.84Å; F919-W922 HydrophobicContact CZ-CG 4.38Å; F919-W922 HydrophobicContact CZ-CZ2 4.38Å; F919-W922 AromaticContact CZ-NE1 3.35Å
920	H	92.9	Very high	93.3	Very high	105 Å²	105	43 Å²	43	49%	0.486	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-54.3	179.8	-174.5	-65.1	0	0	0	113.1	Y849 F851 F892 V918	Y849-H920 PolarHBondContact O-N 3.47Å; F851-H920 HydrophobicContact CB-CB 3.84Å; F892-H920 HydrophobicContact CE1-CB 3.96Å; F892-H920 AromaticContact CE1-CD2 3.69Å; F892-H920 AromaticContact CE1-CG 3.6Å; F892-H920 AromaticContact CE1-ND1 3.92Å; F892-H920 AromaticContact CZ-NE2 3.91Å; V918-H920 PolarHBondContact O-N 3.47Å
921	H	93.3	Very high	93.1	Very high	35 Å²	35	35.5 Å²	35.5	16%	0.162	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	175.5	-174.2	68.3	-76.9	0	0	0	112.2	Y849 F892 F919	Y849-H921 PolarHBondContact N-O 2.88Å; Y849-H921 PolarHBondContact O-N 3.08Å; F892-H921 AromaticContact CD1-CE1 3.78Å; F892-H921 AromaticContact CE1-CE1 3.73Å; F892-H921 AromaticContact CE1-ND1 3.75Å; F919-H921 VanDerWaalsContact CE2-O 3.31Å; F919-H921 WeakPolarHBondContact CE2-O 3.34Å
922	W	94.6	Very high	92.9	Very high	29 Å²	29	39.3 Å²	39.3	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.7	174.5	-62.5	90	0	0	0	109.7	A679 C681 R803 M846 P848 F919	A679-W922 VanDerWaalsContact O-CH2 3.3Å; A679-W922 WeakPolarHBondContact O-CH2 3.39Å; A679-W922 VanDerWaalsContact O-CZ3 3.27Å; A679-W922 WeakPolarHBondContact O-CZ3 3.28Å; C681-W922 HydrophobicContact CB-CD2 4.4Å; C681-W922 HydrophobicContact CB-CE3 4.06Å; C681-W922 HydrophobicContact CB-CZ3 4.19Å; R803-W922 VanDerWaalsContact NE-CD1 3.3Å; M846-W922 HydrophobicContact CB-CB 4.31Å; M846-W922 HydrophobicContact CB-CE3 4.38Å; M846-W922 HydrophobicContact SD-CB 4.22Å; P848-W922 HydrophobicContact CB-CD2 4.35Å; P848-W922 HydrophobicContact CB-CE3 3.84Å; P848-W922 HydrophobicContact CB-CH2 3.93Å; P848-W922 HydrophobicContact CB-CZ2 4.41Å; P848-W922 HydrophobicContact CB-CZ3 3.62Å; P848-W922 HydrophobicContact CG-CE3 4.28Å; P848-W922 HydrophobicContact CG-CH2 4.04Å; P848-W922 HydrophobicContact CG-CZ3 3.66Å; F919-W922 HydrophobicContact CE2-CD2 4.4Å; F919-W922 AromaticContact CE2-CE2 3.98Å; F919-W922 HydrophobicContact CE2-CZ2 4.32Å; F919-W922 AromaticContact CE2-NE1 3.96Å; F919-W922 AromaticContact CZ-CD1 3.7Å; F919-W922 HydrophobicContact CZ-CD2 4.46Å; F919-W922 AromaticContact CZ-CE2 3.84Å; F919-W922 HydrophobicContact CZ-CG 4.38Å; F919-W922 HydrophobicContact CZ-CZ2 4.38Å; F919-W922 AromaticContact CZ-NE1 3.35Å
923	Q	94.6	Very high	92.7	Very high	77 Å²	77	37.7 Å²	37.7	36%	0.36	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.5	176.7	179.1	178.3	-26.7	0	0	109.7	M846 E847 Y849 V925	M846-Q923 CarbonylContact C-O 3.54Å; M846-Q923 WeakPolarHBondContact CA-O 3.43Å; M846-Q923 WeakPolarHBondContact CB-O 3.47Å; E847-Q923 PolarHBondContact N-O 3.47Å; E847-Q923 PolarHBondContact O-N 3.31Å; Y849-Q923 HydrophobicContact CD2-CB 3.63Å; Y849-Q923 HydrophobicContact CE2-CB 3.58Å; Y849-Q923 HydrophobicContact CE2-CG 4.1Å; Q923-V925 PolarHBondContact O-N 3.33Å
924	I	95.6	Very high	92.4	Very high	69 Å²	69	38.7 Å²	38.7	35%	0.354	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.4	178.8	-67	164.8	0	0	0	110	T683 V685 R844 L845 M846	T683-I924 HydrophobicContact CG2-CD1 4.39Å; T683-I924 HydrophobicContact CG2-CG1 3.98Å; V685-I924 HydrophobicContact CG1-CD1 3.64Å; R844-I924 HydrophobicContact CB-CG2 3.97Å; R844-I924 HydrophobicContact CG-CG2 4.19Å; L845-I924 WeakPolarHBondContact O-CA 3.24Å; M846-I924 HydrophobicContact CG-CG1 4Å
925	V	95.6	Very high	92.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-66.4	130.4	172.4	-174.7	0	0	0	0	108.3	L845 E847 Q923 L947 A948 F951	L845-V925 HydrophobicContact CB-CB 4.41Å; L845-V925 HydrophobicContact CB-CG2 4Å; L845-V925 PolarHBondContact O-N 3.39Å; E847-V925 HydrophobicContact CB-CG2 3.76Å; E847-V925 HydrophobicContact CG-CG2 3.95Å; Q923-V925 PolarHBondContact O-N 3.33Å; V925-L947 HydrophobicContact CG1-CB 3.8Å; V925-A948 HydrophobicContact CB-CB 4.21Å; V925-A948 HydrophobicContact CG1-CB 3.97Å; V925-F951 HydrophobicContact CG1-CD2 3.86Å; V925-F951 HydrophobicContact CG1-CE2 4Å; V925-F951 HydrophobicContact CG2-CD2 4.21Å
926	P	93.6	Very high	91.9	Very high	51 Å²	51	45.8 Å²	45.8	33%	0.331	23%	0.231	S	C	.	.	S	Bend	trans	-63.5	141.2	176.4	-17.4	30.2	0	0	0	111.6	A944 A948	P926-A944 CarbonylContact C-O 3.49Å; P926-A944 WeakPolarHBondContact CB-O 3.39Å; P926-A944 VanDerWaalsContact O-O 3.05Å; P926-A948 PolarHBondContact O-N 3.08Å
927	G	90.9	Very high	91.5	Very high	19 Å²	19	50 Å²	50	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	103.2	-166.4	-177.4	0	0	0	0	0	114.5	R844 T945	R844-G927 PolarHBondContact NH1-O 3.17Å; G927-T945 WeakPolarHBondContact CA-O 3.39Å
928	D	91.7	Very high	91.1	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.102	27%	0.269	C	S	.	.			trans	-122.6	130.3	179.7	-153.2	-60	0	0	0	111.3	R844 L930 D931 R949	R844-D928 IonicContact CZ-OD2 2.73Å; R844-D928 VanDerWaalsContact CZ-OD2 3.31Å; R844-D928 IonicContact NH1-OD2 3.77Å; R844-D928 PolarHBondContact NH1-OD2 3.11Å; R844-D928 IonicContact NH2-OD2 3.19Å; R844-D928 PolarHBondContact NH2-OD2 2.84Å; D928-L930 VanDerWaalsContact C-N 3.35Å; D928-L930 WeakPolarHBondContact OD1-CA 3.34Å; D928-L930 PolarHBondContact OD1-N 2.93Å; D928-D931 HydrophobicContact CB-CB 3.72Å; D928-D931 PolarHBondContact OD1-N 3.17Å; D928-R949 WeakPolarHBondContact O-CB 3.42Å; D928-R949 PolarHBondContact O-N 3.46Å
929	P	92.4	Very high	90.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-71.7	-27.4	172.4	29.1	-33.4	0	0	0	113.1	L797 P843 L845 R949 M952	L797-P929 HydrophobicContact CD1-CB 4.45Å; L797-P929 HydrophobicContact CD1-CG 4.05Å; P843-P929 WeakPolarHBondContact O-CG 3.32Å; L845-P929 HydrophobicContact CD1-CB 4.49Å; L845-P929 HydrophobicContact CG-CB 4.35Å; P929-R949 WeakPolarHBondContact O-CD 3.44Å; P929-R949 PolarHBondContact O-NH1 2.92Å; P929-M952 HydrophobicContact CB-CB 3.98Å; P929-M952 HydrophobicContact CB-CG 4.1Å; P929-M952 HydrophobicContact CB-SD 3.86Å; P929-M952 WeakPolarHBondContact O-CE 3.08Å
930	L	90.1	Very high	90.3	Very high	41 Å²	41	65 Å²	65	22%	0.215	33%	0.329	C	S	.	.	S	Bend	trans	-96	-5	-174.3	-62.1	-175.2	0	0	0	114.2	L797 P843 D928 K932 M952 V965	L797-L930 HydrophobicContact CD2-CD2 3.9Å; L797-L930 HydrophobicContact CD2-CG 4.36Å; P843-L930 HydrophobicContact CG-CD1 3.54Å; P843-L930 HydrophobicContact CG-CG 4.3Å; D928-L930 VanDerWaalsContact C-N 3.35Å; D928-L930 WeakPolarHBondContact OD1-CA 3.34Å; D928-L930 PolarHBondContact OD1-N 2.93Å; L930-K932 PolarHBondContact O-N 3.42Å; L930-K932 VanDerWaalsContact O-N 3.09Å; L930-M952 HydrophobicContact CD2-SD 4.32Å; L930-V965 HydrophobicContact CD2-CB 4.41Å; L930-V965 HydrophobicContact CD2-CG2 4.14Å
931	D	88.9	Confident	89.9	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.112	34%	0.343	C	S	.	.			trans	-70	106.3	178.9	-177.2	-5.7	0	0	0	112	D928 S933 I934 R949	D928-D931 HydrophobicContact CB-CB 3.72Å; D928-D931 PolarHBondContact OD1-N 3.17Å; D931-S933 WeakPolarHBondContact OD1-CB 3.41Å; D931-S933 PolarHBondContact OD1-N 3Å; D931-S933 PolarHBondContact OD1-OG 3.02Å; D931-S933 PolarHBondContact OD2-OG 3.19Å; D931-I934 HydrophobicContact CB-CD1 4.02Å; D931-I934 HydrophobicContact CB-CG1 4.43Å; D931-I934 WeakPolarHBondContact OD2-CD1 3.49Å; D931-R949 VanDerWaalsContact O-CD 3.26Å; D931-R949 WeakPolarHBondContact O-CD 3.1Å; D931-R949 PolarHBondContact O-NE 3.4Å
932	K	86.9	Confident	89.8	Confident	124 Å²	124	65.4 Å²	65.4	54%	0.539	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.4	179.6	-57.2	-168.7	-176.7	-153.2	0	114.6	L930 I934 D964	L930-K932 PolarHBondContact O-N 3.42Å; L930-K932 VanDerWaalsContact O-N 3.09Å; K932-I934 PolarHBondContact O-N 3.48Å; K932-D964 WeakPolarHBondContact CD-OD2 3.24Å; K932-D964 WeakPolarHBondContact CE-OD2 3.23Å; K932-D964 IonicContact NZ-OD2 3.83Å; K932-D964 PolarHBondContact NZ-OD2 3.36Å
933	S	87.8	Confident	89.5	Confident	85 Å²	85	67.6 Å²	67.6	59%	0.594	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-24	176.5	71.8	0	0	0	0	112.2	D931 Y935 G992	D931-S933 WeakPolarHBondContact OD1-CB 3.41Å; D931-S933 PolarHBondContact OD1-N 3Å; D931-S933 PolarHBondContact OD1-OG 3.02Å; D931-S933 PolarHBondContact OD2-OG 3.19Å; S933-Y935 PolarHBondContact O-N 3.21Å; S933-G992 WeakPolarHBondContact CB-O 3.4Å; S933-G992 PolarHBondContact OG-O 3.13Å; S933-G992 VanDerWaalsContact OG-O 3.08Å
934	I	87	Confident	89.2	Confident	20 Å²	20	66.3 Å²	66.3	10%	0.103	36%	0.362	C	S	.	.			trans	-81.3	101.8	-178.7	-58.6	171.4	0	0	0	109.8	D931 K932 I936 H946 R949	D931-I934 HydrophobicContact CB-CD1 4.02Å; D931-I934 HydrophobicContact CB-CG1 4.43Å; D931-I934 WeakPolarHBondContact OD2-CD1 3.49Å; K932-I934 PolarHBondContact O-N 3.48Å; I934-I936 HydrophobicContact CG2-CD1 3.6Å; I934-H946 HydrophobicContact CG2-CB 3.8Å; I934-R949 HydrophobicContact CB-CG 4.3Å; I934-R949 HydrophobicContact CG2-CB 4.46Å; I934-R949 HydrophobicContact CG2-CG 4.38Å
935	Y	87.1	Confident	88.9	Confident	183 Å²	183	67.2 Å²	67.2	72%	0.718	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-78.5	117.9	167.4	180	-99.8	0	0	0	111	S933 K937	S933-Y935 PolarHBondContact O-N 3.21Å; Y935-K937 HydrophobicContact CD1-CG 4.39Å; Y935-K937 HydrophobicContact CE1-CG 4.2Å
936	I	88.3	Confident	88.8	Confident	26 Å²	26	70 Å²	70	13%	0.133	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-88.9	116.7	177.6	-54.7	-61.1	0	0	0	109.4	I934 Q942 H946 R949 E950 I953	I934-I936 HydrophobicContact CG2-CD1 3.6Å; I936-Q942 HydrophobicContact CD1-CG 4.14Å; I936-Q942 HydrophobicContact CG2-CG 4.1Å; I936-H946 HydrophobicContact CD1-CB 4.36Å; I936-R949 HydrophobicContact CD1-CB 4.21Å; I936-R949 HydrophobicContact CD1-CG 4.19Å; I936-R949 HydrophobicContact CG1-CG 4.09Å; I936-E950 HydrophobicContact CD1-CB 4.11Å; I936-E950 HydrophobicContact CG2-CB 4.25Å; I936-E950 HydrophobicContact CG2-CG 4.12Å; I936-I953 HydrophobicContact CG1-CD1 4.13Å
937	K	86.9	Confident	88.7	Confident	94 Å²	94	68.3 Å²	68.3	41%	0.409	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-71.8	141.2	173.6	-67.5	176.6	175.3	-176	0	111.2	Y935 E940	Y935-K937 HydrophobicContact CD1-CG 4.39Å; Y935-K937 HydrophobicContact CE1-CG 4.2Å; K937-E940 HydrophobicContact CB-CB 4.31Å; K937-E940 HydrophobicContact CD-CB 4.46Å; K937-E940 HydrophobicContact CD-CG 4.29Å; K937-E940 WeakPolarHBondContact CD-OE1 3.37Å; K937-E940 WeakPolarHBondContact CD-OE2 3.4Å; K937-E940 WeakPolarHBondContact CE-OE2 3.43Å; K937-E940 IonicContact NZ-OE1 2.89Å; K937-E940 PolarHBondContact NZ-OE1 3.18Å; K937-E940 IonicContact NZ-OE2 3.17Å; K937-E940 PolarHBondContact NZ-OE2 2.79Å
938	P	85.6	Confident	88.9	Confident	93 Å²	93	67.4 Å²	67.4	60%	0.604	36%	0.362	S	S	*	.	S	Bend	trans	-60.8	144.7	168.1	-20.8	33	0	0	0	111.9	E940	P938-E940 PolarHBondContact O-N 3.39Å
939	L	84.7	Confident	89	Confident	177 Å²	177	67.2 Å²	67.2	93%	0.927	36%	0.36	S	S	*	.	S	Bend	trans	59.4	-8.2	170.8	-56.3	173.2	0	0	0	118
940	E	87.3	Confident	89	Confident	97 Å²	97	67.8 Å²	67.8	45%	0.453	36%	0.363	S	S	.	.	S	Bend	trans	-87.7	128.5	169.8	-74	-174.7	-152.2	0	0	111.2	K937 P938 Q942	K937-E940 HydrophobicContact CB-CB 4.31Å; K937-E940 HydrophobicContact CD-CB 4.46Å; K937-E940 HydrophobicContact CD-CG 4.29Å; K937-E940 WeakPolarHBondContact CD-OE1 3.37Å; K937-E940 WeakPolarHBondContact CD-OE2 3.4Å; K937-E940 WeakPolarHBondContact CE-OE2 3.43Å; K937-E940 IonicContact NZ-OE1 2.89Å; K937-E940 PolarHBondContact NZ-OE1 3.18Å; K937-E940 IonicContact NZ-OE2 3.17Å; K937-E940 PolarHBondContact NZ-OE2 2.79Å; P938-E940 PolarHBondContact O-N 3.39Å; E940-Q942 PolarHBondContact O-N 2.85Å; E940-Q942 PolarHBondContact O-NE2 3.05Å
941	P	85.9	Confident	89.2	Confident	122 Å²	122	66.9 Å²	66.9	79%	0.792	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-62.3	131.4	170	-20.4	32.3	0	0	0	111.2
942	Q	89.8	Confident	89.4	Confident	27 Å²	27	65.9 Å²	65.9	13%	0.126	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-87.5	154.9	-174.2	-58.1	-61.2	-52.7	0	0	113.3	I936 E940 H946 L947 E950	I936-Q942 HydrophobicContact CD1-CG 4.14Å; I936-Q942 HydrophobicContact CG2-CG 4.1Å; E940-Q942 PolarHBondContact O-N 2.85Å; E940-Q942 PolarHBondContact O-NE2 3.05Å; Q942-H946 HydrophobicContact CB-CB 4.2Å; Q942-L947 HydrophobicContact CB-CD2 4.45Å; Q942-E950 WeakPolarHBondContact CB-OE2 3.23Å; Q942-E950 HydrophobicContact CG-CB 4.18Å; Q942-E950 HydrophobicContact CG-CG 4.23Å; Q942-E950 WeakPolarHBondContact CG-OE2 3.44Å
943	P	89.9	Confident	89.7	Confident	75 Å²	75	60.7 Å²	60.7	49%	0.487	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-60.8	152.9	170.3	-20.9	33.2	0	0	0	111.8	T945 H946 L947	P943-T945 PolarHBondContact O-N 2.94Å; P943-H946 PolarHBondContact O-N 2.83Å; P943-L947 PolarHBondContact O-N 3Å
944	A	88.2	Confident	89.8	Confident	49 Å²	49	61.5 Å²	61.5	41%	0.405	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-49.3	-40.3	-176.4	0	0	0	0	0	114	P926 H946 L947	P926-A944 CarbonylContact C-O 3.49Å; P926-A944 WeakPolarHBondContact CB-O 3.39Å; P926-A944 VanDerWaalsContact O-O 3.05Å; A944-H946 PolarHBondContact O-N 3.47Å; A944-L947 PolarHBondContact O-N 2.91Å
945	T	88.7	Confident	90	Very high	89 Å²	89	61.5 Å²	61.5	55%	0.546	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-65.7	-15.2	180	47.5	0	0	0	0	114.9	G927 P943	G927-T945 WeakPolarHBondContact CA-O 3.39Å; P943-T945 PolarHBondContact O-N 2.94Å
946	H	92.3	Very high	90.2	Very high	59 Å²	59	53.5 Å²	53.5	27%	0.273	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-110.7	-5.7	-176.9	-57.9	172.2	0	0	0	112.7	I934 I936 Q942 P943 A944 A948 R949 E950	I934-H946 HydrophobicContact CG2-CB 3.8Å; I936-H946 HydrophobicContact CD1-CB 4.36Å; Q942-H946 HydrophobicContact CB-CB 4.2Å; P943-H946 PolarHBondContact O-N 2.83Å; A944-H946 PolarHBondContact O-N 3.47Å; H946-A948 VanDerWaalsContact C-N 3.32Å; H946-A948 PolarHBondContact O-N 2.78Å; H946-R949 PolarHBondContact O-N 3.17Å; H946-R949 VanDerWaalsContact O-N 3.11Å; H946-E950 PolarHBondContact O-N 2.98Å
947	L	93.3	Very high	90.2	Very high	14 Å²	14	58.9 Å²	58.9	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-38.9	-175.1	-69.8	176.5	0	0	0	112.7	V925 Q942 P943 A944 R949 E950 F951	V925-L947 HydrophobicContact CG1-CB 3.8Å; Q942-L947 HydrophobicContact CB-CD2 4.45Å; P943-L947 PolarHBondContact O-N 3Å; A944-L947 PolarHBondContact O-N 2.91Å; L947-R949 VanDerWaalsContact C-N 3.3Å; L947-R949 PolarHBondContact O-N 3.39Å; L947-E950 PolarHBondContact O-N 3.22Å; L947-F951 HydrophobicContact CB-CD2 4.5Å; L947-F951 HydrophobicContact CB-CE2 4.13Å; L947-F951 HydrophobicContact CB-CZ 4.29Å; L947-F951 HydrophobicContact CD2-CE1 4.29Å; L947-F951 HydrophobicContact CD2-CZ 4.07Å; L947-F951 WeakPolarHBondContact O-CB 3.26Å; L947-F951 VanDerWaalsContact O-CG 3.24Å; L947-F951 WeakPolarHBondContact O-CG 3.45Å; L947-F951 PolarHBondContact O-N 3.09Å
948	A	93.7	Very high	90.2	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-40.1	177.3	0	0	0	0	0	112.6	V925 P926 H946 M952	V925-A948 HydrophobicContact CB-CB 4.21Å; V925-A948 HydrophobicContact CG1-CB 3.97Å; P926-A948 PolarHBondContact O-N 3.08Å; H946-A948 VanDerWaalsContact C-N 3.32Å; H946-A948 PolarHBondContact O-N 2.78Å; A948-M952 WeakPolarHBondContact O-CB 3.39Å; A948-M952 PolarHBondContact O-N 3.46Å
949	R	93.4	Very high	90.2	Very high	15 Å²	15	52.5 Å²	52.5	6%	0.057	27%	0.273	C	S	.	.	H	α-helix	trans	-70.4	-43.4	176.4	-172.1	64.5	173.5	162.4	7.2	111.6	D928 P929 D931 I934 I936 H946 L947 M952 I953 D964	D928-R949 WeakPolarHBondContact O-CB 3.42Å; D928-R949 PolarHBondContact O-N 3.46Å; P929-R949 WeakPolarHBondContact O-CD 3.44Å; P929-R949 PolarHBondContact O-NH1 2.92Å; D931-R949 VanDerWaalsContact O-CD 3.26Å; D931-R949 WeakPolarHBondContact O-CD 3.1Å; D931-R949 PolarHBondContact O-NE 3.4Å; I934-R949 HydrophobicContact CB-CG 4.3Å; I934-R949 HydrophobicContact CG2-CB 4.46Å; I934-R949 HydrophobicContact CG2-CG 4.38Å; I936-R949 HydrophobicContact CD1-CB 4.21Å; I936-R949 HydrophobicContact CD1-CG 4.19Å; I936-R949 HydrophobicContact CG1-CG 4.09Å; H946-R949 PolarHBondContact O-N 3.17Å; H946-R949 VanDerWaalsContact O-N 3.11Å; L947-R949 VanDerWaalsContact C-N 3.3Å; L947-R949 PolarHBondContact O-N 3.39Å; R949-M952 PolarHBondContact O-N 3.48Å; R949-I953 HydrophobicContact CG-CD1 4.02Å; R949-I953 WeakPolarHBondContact O-CG1 3.36Å; R949-I953 PolarHBondContact O-N 2.85Å; R949-D964 IonicContact CZ-OD1 2.66Å; R949-D964 IonicContact NH1-OD1 3.96Å; R949-D964 PolarHBondContact NH1-OD1 2.94Å; R949-D964 IonicContact NH2-OD1 2.73Å; R949-D964 PolarHBondContact NH2-OD1 2.96Å
950	E	93.3	Very high	90.2	Very high	13 Å²	13	47 Å²	47	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-53.5	175.4	180	-178.5	-177.4	0	0	111.6	I936 Q942 H946 L947 M952 I953 K954	I936-E950 HydrophobicContact CD1-CB 4.11Å; I936-E950 HydrophobicContact CG2-CB 4.25Å; I936-E950 HydrophobicContact CG2-CG 4.12Å; Q942-E950 WeakPolarHBondContact CB-OE2 3.23Å; Q942-E950 HydrophobicContact CG-CB 4.18Å; Q942-E950 HydrophobicContact CG-CG 4.23Å; Q942-E950 WeakPolarHBondContact CG-OE2 3.44Å; H946-E950 PolarHBondContact O-N 2.98Å; L947-E950 PolarHBondContact O-N 3.22Å; E950-M952 VanDerWaalsContact C-N 3.33Å; E950-M952 PolarHBondContact O-N 3.42Å; E950-I953 PolarHBondContact O-N 3.47Å; E950-K954 HydrophobicContact CG-CD 3.91Å; E950-K954 HydrophobicContact CG-CG 4.46Å; E950-K954 WeakPolarHBondContact O-CB 3.48Å; E950-K954 WeakPolarHBondContact O-CG 3.34Å; E950-K954 PolarHBondContact O-N 3.17Å; E950-K954 WeakPolarHBondContact OE1-CE 3.42Å; E950-K954 IonicContact OE1-NZ 3.35Å; E950-K954 PolarHBondContact OE1-NZ 3.19Å
951	F	94	Very high	90.1	Very high	22 Å²	22	43.6 Å²	43.6	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-37.2	-178	-64.3	-16.2	0	0	0	111.6	F680 L845 I896 V925 L947 T955	F680-F951 HydrophobicContact CE1-CB 4.15Å; F680-F951 AromaticContact CE1-CD2 3.55Å; F680-F951 HydrophobicContact CE1-CD2 3.55Å; F680-F951 HydrophobicContact CE1-CE2 4.14Å; F680-F951 AromaticContact CE1-CG 4Å; F680-F951 HydrophobicContact CE1-CG 4Å; F680-F951 HydrophobicContact CE2-CB 4.16Å; F680-F951 HydrophobicContact CZ-CB 3.73Å; F680-F951 HydrophobicContact CZ-CD1 4.28Å; F680-F951 AromaticContact CZ-CD2 3.69Å; F680-F951 HydrophobicContact CZ-CD2 3.69Å; F680-F951 HydrophobicContact CZ-CE2 4.35Å; F680-F951 AromaticContact CZ-CG 3.65Å; F680-F951 HydrophobicContact CZ-CG 3.65Å; L845-F951 HydrophobicContact CD1-CB 4.23Å; I896-F951 HydrophobicContact CG2-CE2 4.49Å; I896-F951 HydrophobicContact CG2-CZ 4.08Å; V925-F951 HydrophobicContact CG1-CD2 3.86Å; V925-F951 HydrophobicContact CG1-CE2 4Å; V925-F951 HydrophobicContact CG2-CD2 4.21Å; L947-F951 HydrophobicContact CB-CD2 4.5Å; L947-F951 HydrophobicContact CB-CE2 4.13Å; L947-F951 HydrophobicContact CB-CZ 4.29Å; L947-F951 HydrophobicContact CD2-CE1 4.29Å; L947-F951 HydrophobicContact CD2-CZ 4.07Å; L947-F951 WeakPolarHBondContact O-CB 3.26Å; L947-F951 VanDerWaalsContact O-CG 3.24Å; L947-F951 WeakPolarHBondContact O-CG 3.45Å; L947-F951 PolarHBondContact O-N 3.09Å; F951-T955 VanDerWaalsContact O-CB 3.23Å; F951-T955 WeakPolarHBondContact O-CB 3.02Å; F951-T955 PolarHBondContact O-N 2.86Å; F951-T955 PolarHBondContact O-OG1 2.84Å
952	M	93.7	Very high	90.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-55.5	174.7	-164.8	-154.2	65.9	0	0	111.3	C798 L845 P929 L930 A948 R949 E950 K954 T955 R956 E963 V965	C798-M952 WeakPolarHBondContact SG-CG 3.38Å; L845-M952 HydrophobicContact CD1-CB 3.92Å; P929-M952 HydrophobicContact CB-CB 3.98Å; P929-M952 HydrophobicContact CB-CG 4.1Å; P929-M952 HydrophobicContact CB-SD 3.86Å; P929-M952 WeakPolarHBondContact O-CE 3.08Å; L930-M952 HydrophobicContact CD2-SD 4.32Å; A948-M952 WeakPolarHBondContact O-CB 3.39Å; A948-M952 PolarHBondContact O-N 3.46Å; R949-M952 PolarHBondContact O-N 3.48Å; E950-M952 VanDerWaalsContact C-N 3.33Å; E950-M952 PolarHBondContact O-N 3.42Å; M952-K954 PolarHBondContact O-N 2.81Å; M952-T955 PolarHBondContact O-N 2.82Å; M952-R956 HydrophobicContact CG-CG 4.41Å; M952-R956 WeakPolarHBondContact O-CB 3.35Å; M952-R956 VanDerWaalsContact O-CG 3.3Å; M952-R956 WeakPolarHBondContact O-CG 3.35Å; M952-R956 PolarHBondContact O-N 2.89Å; M952-E963 WeakPolarHBondContact CE-O 3.25Å; M952-V965 HydrophobicContact SD-CG2 4.37Å
953	I	92.2	Very high	89.8	Confident	14 Å²	14	44 Å²	44	7%	0.072	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-45.9	-177.1	-65.6	171.6	0	0	0	110.9	I936 R949 E950 T955 R956 R957	I936-I953 HydrophobicContact CG1-CD1 4.13Å; R949-I953 HydrophobicContact CG-CD1 4.02Å; R949-I953 WeakPolarHBondContact O-CG1 3.36Å; R949-I953 PolarHBondContact O-N 2.85Å; E950-I953 PolarHBondContact O-N 3.47Å; I953-T955 PolarHBondContact O-N 3.22Å; I953-R956 PolarHBondContact O-N 3.39Å; I953-R957 HydrophobicContact CG2-CG 4.32Å; I953-R957 WeakPolarHBondContact O-CB 3.41Å; I953-R957 WeakPolarHBondContact O-CG 3.43Å; I953-R957 PolarHBondContact O-N 2.98Å
954	K	90.8	Very high	89.5	Confident	103 Å²	103	42.8 Å²	42.8	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-41.8	179.5	-74.5	-176.6	174.6	179	0	112.2	E950 M952 R958	E950-K954 HydrophobicContact CG-CD 3.91Å; E950-K954 HydrophobicContact CG-CG 4.46Å; E950-K954 WeakPolarHBondContact O-CB 3.48Å; E950-K954 WeakPolarHBondContact O-CG 3.34Å; E950-K954 PolarHBondContact O-N 3.17Å; E950-K954 WeakPolarHBondContact OE1-CE 3.42Å; E950-K954 IonicContact OE1-NZ 3.35Å; E950-K954 PolarHBondContact OE1-NZ 3.19Å; M952-K954 PolarHBondContact O-N 2.81Å; K954-R958 WeakPolarHBondContact O-CB 3.08Å; K954-R958 PolarHBondContact O-N 3.22Å
955	T	90.9	Very high	89.1	Confident	20 Å²	20	41.2 Å²	41.2	12%	0.123	22%	0.217	C	C	.	.	H	α-helix	trans	-68.4	-42.4	178.6	-54.9	0	0	0	0	111.5	C798 F951 M952 I953 R958 K959	C798-T955 HydrophobicContact CB-CG2 4.04Å; F951-T955 VanDerWaalsContact O-CB 3.23Å; F951-T955 WeakPolarHBondContact O-CB 3.02Å; F951-T955 PolarHBondContact O-N 2.86Å; F951-T955 PolarHBondContact O-OG1 2.84Å; M952-T955 PolarHBondContact O-N 2.82Å; I953-T955 PolarHBondContact O-N 3.22Å; T955-R958 PolarHBondContact O-N 3.07Å; T955-K959 PolarHBondContact O-N 2.81Å; T955-K959 VanDerWaalsContact O-N 3.15Å
956	R	91.4	Very high	88.4	Confident	15 Å²	15	39.6 Å²	39.6	6%	0.057	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-48.9	177.2	-71.5	-179.1	71.7	70.1	9.3	112.1	L797 M952 I953 R958 K959 G960 L961 S962 E963 D964	L797-R956 WeakPolarHBondContact O-CD 3.17Å; L797-R956 WeakPolarHBondContact O-CG 3.32Å; L797-R956 PolarHBondContact O-NH1 3.28Å; M952-R956 HydrophobicContact CG-CG 4.41Å; M952-R956 WeakPolarHBondContact O-CB 3.35Å; M952-R956 VanDerWaalsContact O-CG 3.3Å; M952-R956 WeakPolarHBondContact O-CG 3.35Å; M952-R956 PolarHBondContact O-N 2.89Å; I953-R956 PolarHBondContact O-N 3.39Å; R956-R958 VanDerWaalsContact C-N 3.31Å; R956-R958 PolarHBondContact O-N 2.94Å; R956-K959 PolarHBondContact O-N 3.41Å; R956-K959 VanDerWaalsContact O-N 3.14Å; R956-G960 PolarHBondContact O-N 3.25Å; R956-L961 HydrophobicContact CB-CB 4.04Å; R956-L961 HydrophobicContact CG-CB 4.44Å; R956-L961 HydrophobicContact CG-CD1 4.4Å; R956-L961 WeakPolarHBondContact O-CB 3.31Å; R956-L961 PolarHBondContact O-N 2.74Å; R956-S962 PolarHBondContact NE-O 3.29Å; R956-S962 PolarHBondContact NH2-O 3.22Å; R956-S962 PolarHBondContact NH2-OG 3.31Å; R956-S962 VanDerWaalsContact NH2-OG 3.12Å; R956-E963 WeakPolarHBondContact CD-O 3.32Å; R956-E963 PolarHBondContact NE-O 2.7Å; R956-D964 PolarHBondContact NH2-O 3.23Å
957	R	88.9	Confident	87.3	Confident	138 Å²	138	38.3 Å²	38.3	52%	0.521	21%	0.205	S	C	.	.	H	α-helix	trans	-54.3	-45.9	175.5	-76.4	-177.8	-179.3	163.2	4.1	111.8	I953 K959 G960 E963	I953-R957 HydrophobicContact CG2-CG 4.32Å; I953-R957 WeakPolarHBondContact O-CB 3.41Å; I953-R957 WeakPolarHBondContact O-CG 3.43Å; I953-R957 PolarHBondContact O-N 2.98Å; R957-K959 VanDerWaalsContact C-N 3.31Å; R957-K959 PolarHBondContact O-N 3.22Å; R957-G960 PolarHBondContact O-N 3.2Å; R957-E963 HydrophobicContact CG-CG 4.39Å; R957-E963 IonicContact CZ-OE1 3.03Å; R957-E963 IonicContact NE-OE1 2.98Å; R957-E963 PolarHBondContact NE-OE1 2.72Å; R957-E963 IonicContact NH2-OE1 2.62Å; R957-E963 PolarHBondContact NH2-OE1 3Å; R957-E963 IonicContact NH2-OE2 3.07Å
958	R	85.5	Confident	86.2	Confident	44 Å²	44	43.6 Å²	43.6	17%	0.166	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-31.4	-179.9	-174.1	170.6	168.8	179.6	-10.2	113.9	A609 S642 E644 V677 K954 T955 R956 G960	A609-R958 VanDerWaalsContact N-NH2 3.12Å; S642-R958 PolarHBondContact OG-O 2.85Å; S642-R958 VanDerWaalsContact OG-O 3.14Å; E644-R958 WeakPolarHBondContact OE1-CG 3.44Å; E644-R958 IonicContact OE1-NE 2.76Å; E644-R958 IonicContact OE2-CZ 3.91Å; E644-R958 IonicContact OE2-NE 3.58Å; E644-R958 PolarHBondContact OE2-NE 3.39Å; E644-R958 IonicContact OE2-NH2 2.77Å; E644-R958 PolarHBondContact OE2-NH2 3.06Å; V677-R958 VanDerWaalsContact CG2-NH1 3.35Å; K954-R958 WeakPolarHBondContact O-CB 3.08Å; K954-R958 PolarHBondContact O-N 3.22Å; T955-R958 PolarHBondContact O-N 3.07Å; R956-R958 VanDerWaalsContact C-N 3.31Å; R956-R958 PolarHBondContact O-N 2.94Å; R958-G960 VanDerWaalsContact C-N 3.29Å
959	K	85.5	Confident	85.1	Confident	10 Å²	10	49.8 Å²	49.8	4%	0.043	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.3	173.5	-73.6	-173.5	179	175.3	0	114.3	E640 C798 E799 E800 T955 R956 R957 L961	E640-K959 WeakPolarHBondContact OE2-CG 2.96Å; C798-K959 VanDerWaalsContact O-CD 3.3Å; C798-K959 WeakPolarHBondContact O-CD 3.25Å; C798-K959 WeakPolarHBondContact O-CE 3.25Å; C798-K959 PolarHBondContact O-NZ 3.07Å; E799-K959 HydrophobicContact CB-CD 4.03Å; E799-K959 PolarHBondContact O-NZ 2.86Å; E800-K959 WeakPolarHBondContact OE1-CE 3.42Å; E800-K959 IonicContact OE1-NZ 2.94Å; E800-K959 PolarHBondContact OE1-NZ 3.24Å; T955-K959 PolarHBondContact O-N 2.81Å; T955-K959 VanDerWaalsContact O-N 3.15Å; R956-K959 PolarHBondContact O-N 3.41Å; R956-K959 VanDerWaalsContact O-N 3.14Å; R957-K959 VanDerWaalsContact C-N 3.31Å; R957-K959 PolarHBondContact O-N 3.22Å; K959-L961 VanDerWaalsContact C-N 3.31Å; K959-L961 HydrophobicContact CB-CD1 4.03Å; K959-L961 HydrophobicContact CB-CG 3.9Å; K959-L961 HydrophobicContact CD-CD1 4.4Å
960	G	84.8	Confident	84.2	Confident	62 Å²	62	50.2 Å²	50.2	64%	0.639	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	15.3	-173.4	0	0	0	0	0	114	R956 R957 R958	R956-G960 PolarHBondContact O-N 3.25Å; R957-G960 PolarHBondContact O-N 3.2Å; R958-G960 VanDerWaalsContact C-N 3.29Å
961	L	86.5	Confident	83.4	Confident	24 Å²	24	50 Å²	50	13%	0.126	26%	0.262	C	S	.	.			trans	-86.2	150.5	179.3	-56.6	174.6	0	0	0	111.4	E799 R956 K959	E799-L961 HydrophobicContact CB-CD1 4.3Å; E799-L961 HydrophobicContact CG-CD1 3.96Å; E799-L961 WeakPolarHBondContact OE1-CD2 3.46Å; R956-L961 HydrophobicContact CB-CB 4.04Å; R956-L961 HydrophobicContact CG-CB 4.44Å; R956-L961 HydrophobicContact CG-CD1 4.4Å; R956-L961 WeakPolarHBondContact O-CB 3.31Å; R956-L961 PolarHBondContact O-N 2.74Å; K959-L961 VanDerWaalsContact C-N 3.31Å; K959-L961 HydrophobicContact CB-CD1 4.03Å; K959-L961 HydrophobicContact CB-CG 3.9Å; K959-L961 HydrophobicContact CD-CD1 4.4Å
962	S	86.2	Confident	82.4	Confident	66 Å²	66	50.4 Å²	50.4	46%	0.462	27%	0.265	S	S	.	.			trans	-53.3	141.2	171.4	60.3	0	0	0	0	111.3	R956 D964	R956-S962 PolarHBondContact NE-O 3.29Å; R956-S962 PolarHBondContact NH2-O 3.22Å; R956-S962 PolarHBondContact NH2-OG 3.31Å; R956-S962 VanDerWaalsContact NH2-OG 3.12Å; S962-D964 VanDerWaalsContact C-N 3.33Å; S962-D964 PolarHBondContact O-N 3.43Å; S962-D964 PolarHBondContact OG-O 2.94Å
963	E	82.3	Confident	81.2	Confident	92 Å²	92	56.1 Å²	56.1	43%	0.43	30%	0.296	S	S	.	.	S	Bend	trans	-57.1	-44.5	-174.4	-56.7	-165.2	159.3	0	0	113.3	M952 R956 R957	M952-E963 WeakPolarHBondContact CE-O 3.25Å; R956-E963 WeakPolarHBondContact CD-O 3.32Å; R956-E963 PolarHBondContact NE-O 2.7Å; R957-E963 HydrophobicContact CG-CG 4.39Å; R957-E963 IonicContact CZ-OE1 3.03Å; R957-E963 IonicContact NE-OE1 2.98Å; R957-E963 PolarHBondContact NE-OE1 2.72Å; R957-E963 IonicContact NH2-OE1 2.62Å; R957-E963 PolarHBondContact NH2-OE1 3Å; R957-E963 IonicContact NH2-OE2 3.07Å
964	D	83.2	Confident	80.2	Confident	49 Å²	49	58 Å²	58	26%	0.262	31%	0.309	S	S	.	.	S	Bend	trans	-93.3	150.9	172.4	-88	-24.6	0	0	0	112.1	K932 R949 R956 S962 S966	K932-D964 WeakPolarHBondContact CD-OD2 3.24Å; K932-D964 WeakPolarHBondContact CE-OD2 3.23Å; K932-D964 IonicContact NZ-OD2 3.83Å; K932-D964 PolarHBondContact NZ-OD2 3.36Å; R949-D964 IonicContact CZ-OD1 2.66Å; R949-D964 IonicContact NH1-OD1 3.96Å; R949-D964 PolarHBondContact NH1-OD1 2.94Å; R949-D964 IonicContact NH2-OD1 2.73Å; R949-D964 PolarHBondContact NH2-OD1 2.96Å; R956-D964 PolarHBondContact NH2-O 3.23Å; S962-D964 VanDerWaalsContact C-N 3.33Å; S962-D964 PolarHBondContact O-N 3.43Å; S962-D964 PolarHBondContact OG-O 2.94Å; D964-S966 PolarHBondContact O-N 2.67Å
965	V	81.5	Confident	79.3	Confident	16 Å²	16	53.3 Å²	53.3	10%	0.097	29%	0.289	C	S	.	.			trans	-74.5	114.5	168.2	-176.1	0	0	0	0	108.8	L797 L839 L930 M952 V967 F970	L797-V965 HydrophobicContact CD2-CG2 4.32Å; L839-V965 HydrophobicContact CD1-CG1 4.07Å; L839-V965 HydrophobicContact CD2-CG1 4.1Å; L930-V965 HydrophobicContact CD2-CB 4.41Å; L930-V965 HydrophobicContact CD2-CG2 4.14Å; M952-V965 HydrophobicContact SD-CG2 4.37Å; V965-V967 PolarHBondContact O-N 3.4Å; V965-F970 HydrophobicContact CG1-CE2 4.12Å
966	S	72.4	Confident	78.4	Confident	56 Å²	56	54.1 Å²	54.1	39%	0.392	29%	0.292	S	S	.	.			trans	-79.3	109.8	176.1	50.3	0	0	0	0	110.9	D964 N968 K969	D964-S966 PolarHBondContact O-N 2.67Å; S966-N968 PolarHBondContact O-N 2.84Å; S966-K969 WeakPolarHBondContact O-CB 3.39Å; S966-K969 PolarHBondContact O-N 2.82Å
967	V	70.8	Confident	77.4	Confident	31 Å²	31	58.3 Å²	58.3	19%	0.188	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-51.5	-45.7	176.6	-174	0	0	0	0	110.5	V965 K969 F970 F971 L976 F988	V965-V967 PolarHBondContact O-N 3.4Å; V967-K969 PolarHBondContact O-N 2.99Å; V967-F970 PolarHBondContact O-N 2.99Å; V967-F971 HydrophobicContact CG1-CD2 3.43Å; V967-F971 VanDerWaalsContact CG1-CD2 3.43Å; V967-F971 HydrophobicContact CG1-CE2 3.64Å; V967-F971 HydrophobicContact CG1-CG 4.03Å; V967-F971 HydrophobicContact CG1-CZ 4.39Å; V967-F971 VanDerWaalsContact O-CD2 3.28Å; V967-F971 WeakPolarHBondContact O-CD2 3.49Å; V967-F971 PolarHBondContact O-N 2.93Å; V967-L976 HydrophobicContact CG1-CD2 4.44Å; V967-F988 HydrophobicContact CG2-CD1 3.82Å; V967-F988 HydrophobicContact CG2-CE1 3.4Å; V967-F988 VanDerWaalsContact CG2-CE1 3.4Å; V967-F988 HydrophobicContact CG2-CZ 3.93Å
968	N	68.9	Low	76.5	Confident	126 Å²	126	55.9 Å²	55.9	67%	0.674	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59.2	-13.2	-179.2	-56.4	-0.6	0	0	0	114.9	S966 F970	S966-N968 PolarHBondContact O-N 2.84Å; N968-F970 VanDerWaalsContact C-N 3.32Å
969	K	71.4	Confident	75.7	Confident	130 Å²	130	54.2 Å²	54.2	57%	0.565	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-74.1	-22	174.9	-168.6	176.3	-179.1	-176	0	112.7	S966 V967	S966-K969 WeakPolarHBondContact O-CB 3.39Å; S966-K969 PolarHBondContact O-N 2.82Å; V967-K969 PolarHBondContact O-N 2.99Å
970	F	73.2	Confident	74.8	Confident	23 Å²	23	55.7 Å²	55.7	10%	0.101	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-18.4	-169.3	-54.8	-61	0	0	0	115.2	P796 Y835 L839 V965 V967 N968	P796-F970 HydrophobicContact CB-CE2 4.35Å; Y835-F970 AromaticContact CD2-CD1 3.63Å; Y835-F970 HydrophobicContact CD2-CD1 3.63Å; Y835-F970 AromaticContact CD2-CE1 3.49Å; Y835-F970 HydrophobicContact CD2-CE1 3.49Å; Y835-F970 VanDerWaalsContact CD2-CE1 3.49Å; Y835-F970 HydrophobicContact CD2-CG 4.46Å; Y835-F970 HydrophobicContact CD2-CZ 4.24Å; Y835-F970 HydrophobicContact CE2-CD1 4.48Å; Y835-F970 AromaticContact CE2-CE1 3.95Å; Y835-F970 HydrophobicContact CE2-CE1 3.95Å; Y835-F970 HydrophobicContact CG-CD1 4.36Å; Y835-F970 HydrophobicContact CG-CE1 4.4Å; L839-F970 HydrophobicContact CD1-CD2 3.66Å; L839-F970 HydrophobicContact CD1-CE2 4.19Å; L839-F970 HydrophobicContact CD1-CG 4.5Å; V965-F970 HydrophobicContact CG1-CE2 4.12Å; V967-F970 PolarHBondContact O-N 2.99Å; N968-F970 VanDerWaalsContact C-N 3.32Å
971	F	76.5	Confident	73.7	Confident	9 Å²	9	60.5 Å²	60.5	4%	0.039	32%	0.321	C	S	.	.	S	Bend	trans	-101.2	127.5	-179.7	-68.3	-106.3	0	0	0	109.9	L839 M840 V967 M975 L976 L979	L839-F971 HydrophobicContact CD1-CE2 4.39Å; M840-F971 HydrophobicContact CE-CD1 4.43Å; M840-F971 HydrophobicContact CE-CE1 3.43Å; M840-F971 VanDerWaalsContact CE-CE1 3.43Å; M840-F971 HydrophobicContact CE-CZ 3.5Å; M840-F971 VanDerWaalsContact CE-CZ 3.5Å; M840-F971 HydrophobicContact CG-CE1 4.06Å; M840-F971 HydrophobicContact CG-CZ 3.89Å; V967-F971 HydrophobicContact CG1-CD2 3.43Å; V967-F971 VanDerWaalsContact CG1-CD2 3.43Å; V967-F971 HydrophobicContact CG1-CE2 3.64Å; V967-F971 HydrophobicContact CG1-CG 4.03Å; V967-F971 HydrophobicContact CG1-CZ 4.39Å; V967-F971 VanDerWaalsContact O-CD2 3.28Å; V967-F971 WeakPolarHBondContact O-CD2 3.49Å; V967-F971 PolarHBondContact O-N 2.93Å; F971-M975 HydrophobicContact CD1-CE 3.65Å; F971-M975 HydrophobicContact CD1-CG 4.06Å; F971-M975 HydrophobicContact CD1-SD 3.58Å; F971-M975 VanDerWaalsContact CD1-SD 3.58Å; F971-M975 HydrophobicContact CE1-CE 3.48Å; F971-M975 VanDerWaalsContact CE1-CE 3.48Å; F971-M975 HydrophobicContact CE1-SD 3.97Å; F971-L976 HydrophobicContact CB-CD2 3.78Å; F971-L976 HydrophobicContact CB-CG 3.9Å; F971-L976 HydrophobicContact CG-CD2 4.47Å; F971-L979 HydrophobicContact CD1-CD1 3.64Å; F971-L979 HydrophobicContact CE1-CD1 3.93Å; F971-L979 HydrophobicContact CG-CD1 4.47Å
972	D	72.7	Confident	72.4	Confident	30 Å²	30	63.8 Å²	63.8	16%	0.16	34%	0.336	C	S	.	.			trans	-70.4	150.9	174.2	-67.2	-48.7	0	0	0	110.9	A694 E695 R832 P974 M975 L976	A694-D972 VanDerWaalsContact CA-OD2 3.25Å; A694-D972 WeakPolarHBondContact CA-OD2 3.25Å; E695-D972 PolarHBondContact N-OD2 2.95Å; R832-D972 IonicContact CZ-OD1 2.91Å; R832-D972 IonicContact NH1-OD1 2.67Å; R832-D972 PolarHBondContact NH1-OD1 3.32Å; R832-D972 IonicContact NH1-OD2 3.1Å; R832-D972 IonicContact NH2-OD1 2.92Å; D972-P974 VanDerWaalsContact C-N 3.31Å; D972-P974 VanDerWaalsContact O-N 3.15Å; D972-M975 WeakPolarHBondContact O-CA 3.45Å; D972-M975 WeakPolarHBondContact O-CB 3.37Å; D972-M975 PolarHBondContact O-N 2.86Å; D972-L976 PolarHBondContact O-N 3.28Å
973	D	70.4	Confident	70.6	Confident	121 Å²	121	66.7 Å²	66.7	65%	0.647	35%	0.346	S	S	*	.	H	α-helix	trans	-47.4	-41.8	177.9	-60.3	-35.4	0	0	0	114.5	M975 L976 L977	D973-M975 VanDerWaalsContact C-N 3.27Å; D973-M975 PolarHBondContact O-N 3.45Å; D973-L976 PolarHBondContact O-N 2.88Å; D973-L977 WeakPolarHBondContact O-CB 3.15Å; D973-L977 PolarHBondContact O-N 2.83Å
974	P	70.4	Confident	69	Low	53 Å²	53	64 Å²	64	34%	0.344	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-32.2	177.3	-19.4	33.9	0	0	0	112.6	F693 D972 E978	F693-P974 HydrophobicContact CE2-CB 4.19Å; F693-P974 HydrophobicContact CZ-CB 4.3Å; D972-P974 VanDerWaalsContact C-N 3.31Å; D972-P974 VanDerWaalsContact O-N 3.15Å; P974-E978 WeakPolarHBondContact O-CB 3.47Å; P974-E978 PolarHBondContact O-N 3Å
975	M	70.9	Confident	66.9	Low	5 Å²	5	65.5 Å²	65.5	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-78.2	-37.4	177.1	-168.2	176.8	169.4	0	0	111.6	C692 F693 F971 D972 D973 L977 E978 L979	C692-M975 HydrophobicContact CB-CE 3.75Å; C692-M975 HydrophobicContact CB-SD 4.28Å; F693-M975 HydrophobicContact CD1-CB 4.48Å; F693-M975 HydrophobicContact CD1-CG 4.19Å; F693-M975 HydrophobicContact CD1-SD 4.33Å; F693-M975 HydrophobicContact CD2-CB 4.4Å; F693-M975 HydrophobicContact CE1-CB 3.96Å; F693-M975 HydrophobicContact CE1-CG 3.89Å; F693-M975 HydrophobicContact CE2-CB 3.89Å; F693-M975 HydrophobicContact CZ-CB 3.65Å; F693-M975 HydrophobicContact CZ-CG 4.13Å; F693-M975 PolarHBondContact N-SD 3.05Å; F693-M975 VanDerWaalsContact N-SD 3.4Å; F693-M975 VanDerWaalsContact O-SD 3.35Å; F971-M975 HydrophobicContact CD1-CE 3.65Å; F971-M975 HydrophobicContact CD1-CG 4.06Å; F971-M975 HydrophobicContact CD1-SD 3.58Å; F971-M975 VanDerWaalsContact CD1-SD 3.58Å; F971-M975 HydrophobicContact CE1-CE 3.48Å; F971-M975 VanDerWaalsContact CE1-CE 3.48Å; F971-M975 HydrophobicContact CE1-SD 3.97Å; D972-M975 WeakPolarHBondContact O-CA 3.45Å; D972-M975 WeakPolarHBondContact O-CB 3.37Å; D972-M975 PolarHBondContact O-N 2.86Å; D973-M975 VanDerWaalsContact C-N 3.27Å; D973-M975 PolarHBondContact O-N 3.45Å; M975-L977 VanDerWaalsContact C-N 3.28Å; M975-L977 PolarHBondContact O-N 2.65Å; M975-E978 PolarHBondContact O-N 2.89Å; M975-E978 VanDerWaalsContact O-N 3.09Å; M975-L979 VanDerWaalsContact O-CG 3.32Å; M975-L979 WeakPolarHBondContact O-CG 2.81Å; M975-L979 PolarHBondContact O-N 2.99Å
976	L	72	Confident	64.8	Low	37 Å²	37	70.6 Å²	70.6	19%	0.194	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-40.3	169.3	-69.4	173.1	0	0	0	111.2	V967 F971 D972 D973 E978 L979 A980	V967-L976 HydrophobicContact CG1-CD2 4.44Å; F971-L976 HydrophobicContact CB-CD2 3.78Å; F971-L976 HydrophobicContact CB-CG 3.9Å; F971-L976 HydrophobicContact CG-CD2 4.47Å; D972-L976 PolarHBondContact O-N 3.28Å; D973-L976 PolarHBondContact O-N 2.88Å; L976-E978 VanDerWaalsContact C-N 3.33Å; L976-E978 PolarHBondContact O-N 3.47Å; L976-L979 HydrophobicContact CD2-CD1 4.34Å; L976-L979 PolarHBondContact O-N 3.34Å; L976-A980 WeakPolarHBondContact O-CB 3.36Å; L976-A980 PolarHBondContact O-N 3.17Å
977	L	71.4	Confident	63	Low	102 Å²	102	69.8 Å²	69.8	53%	0.534	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-32.2	171.8	-86.5	159	0	0	0	113.4	D973 M975 K981	D973-L977 WeakPolarHBondContact O-CB 3.15Å; D973-L977 PolarHBondContact O-N 2.83Å; M975-L977 VanDerWaalsContact C-N 3.28Å; M975-L977 PolarHBondContact O-N 2.65Å; L977-K981 WeakPolarHBondContact O-CD 3.5Å; L977-K981 WeakPolarHBondContact O-CG 3.43Å; L977-K981 PolarHBondContact O-N 3.05Å; L977-K981 VanDerWaalsContact O-N 3.09Å
978	E	70.1	Confident	61.4	Low	87 Å²	87	71.9 Å²	71.9	41%	0.407	37%	0.372	S	S	.	.	H	α-helix	trans	-77.4	-37.4	177.7	-158.8	154.2	174.9	0	0	111.7	F693 P974 M975 L976 A980 K981 Q982	F693-E978 VanDerWaalsContact CE1-OE2 3.23Å; F693-E978 WeakPolarHBondContact CE1-OE2 3.3Å; P974-E978 WeakPolarHBondContact O-CB 3.47Å; P974-E978 PolarHBondContact O-N 3Å; M975-E978 PolarHBondContact O-N 2.89Å; M975-E978 VanDerWaalsContact O-N 3.09Å; L976-E978 VanDerWaalsContact C-N 3.33Å; L976-E978 PolarHBondContact O-N 3.47Å; E978-A980 VanDerWaalsContact C-N 3.34Å; E978-K981 PolarHBondContact O-N 3.02Å; E978-Q982 WeakPolarHBondContact O-CG 3.48Å; E978-Q982 PolarHBondContact O-N 3.19Å
979	L	67.9	Low	59.7	Low	9 Å²	9	74.4 Å²	74.4	5%	0.047	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-41	167.3	-70.6	164.4	0	0	0	112	L690 M840 F971 M975 L976 Q982 V984 I985	L690-L979 HydrophobicContact CD1-CD2 3.31Å; M840-L979 HydrophobicContact CE-CD1 3.82Å; M840-L979 HydrophobicContact CE-CD2 3.57Å; M840-L979 HydrophobicContact CE-CG 4.38Å; M840-L979 HydrophobicContact SD-CD2 4.43Å; F971-L979 HydrophobicContact CD1-CD1 3.64Å; F971-L979 HydrophobicContact CE1-CD1 3.93Å; F971-L979 HydrophobicContact CG-CD1 4.47Å; M975-L979 VanDerWaalsContact O-CG 3.32Å; M975-L979 WeakPolarHBondContact O-CG 2.81Å; M975-L979 PolarHBondContact O-N 2.99Å; L976-L979 HydrophobicContact CD2-CD1 4.34Å; L976-L979 PolarHBondContact O-N 3.34Å; L979-Q982 PolarHBondContact O-N 2.82Å; L979-V984 HydrophobicContact CD2-CB 4.17Å; L979-V984 HydrophobicContact CD2-CG1 3.85Å; L979-V984 PolarHBondContact O-N 2.99Å; L979-V984 VanDerWaalsContact O-N 3.07Å; L979-I985 HydrophobicContact CB-CG1 4.36Å
980	A	66.5	Low	57.8	Low	42 Å²	42	71.9 Å²	71.9	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-43.9	174.7	0	0	0	0	0	112	L976 E978 Q982 D983 I985	L976-A980 WeakPolarHBondContact O-CB 3.36Å; L976-A980 PolarHBondContact O-N 3.17Å; E978-A980 VanDerWaalsContact C-N 3.34Å; A980-Q982 PolarHBondContact O-N 3.16Å; A980-D983 PolarHBondContact O-N 3.36Å; A980-I985 HydrophobicContact CB-CD1 3.55Å; A980-I985 HydrophobicContact CB-CG1 4.3Å
981	K	62.5	Low	55.9	Low	162 Å²	162	73 Å²	73	70%	0.704	39%	0.386	S	S	*	.	H	α-helix	trans	-68.8	-18.7	179.7	-75	166	-175	170.7	0	114.3	L977 E978	L977-K981 WeakPolarHBondContact O-CD 3.5Å; L977-K981 WeakPolarHBondContact O-CG 3.43Å; L977-K981 PolarHBondContact O-N 3.05Å; L977-K981 VanDerWaalsContact O-N 3.09Å; E978-K981 PolarHBondContact O-N 3.02Å
982	Q	58.1	Low	53.8	Low	94 Å²	94	73.3 Å²	73.3	44%	0.439	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	11.9	179	-69.8	176.1	-8.9	0	0	112.5	E978 L979 A980 V984	E978-Q982 WeakPolarHBondContact O-CG 3.48Å; E978-Q982 PolarHBondContact O-N 3.19Å; L979-Q982 PolarHBondContact O-N 2.82Å; A980-Q982 PolarHBondContact O-N 3.16Å; Q982-V984 HydrophobicContact CB-CG2 3.86Å; Q982-V984 WeakPolarHBondContact O-CG2 3.48Å; Q982-V984 PolarHBondContact O-N 2.89Å
983	D	49.2	Very low	51.7	Low	126 Å²	126	76 Å²	76	67%	0.674	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	18.7	-174.6	-66.8	-38.4	0	0	0	114.6	A980	A980-D983 PolarHBondContact O-N 3.36Å
984	V	49	Very low	49.7	Very low	35 Å²	35	75.7 Å²	75.7	21%	0.212	41%	0.409	C	S	.	.	H	α-helix	trans	-81.6	-20.3	-174.8	179.5	0	0	0	0	112.6	L690 L979 Q982 I986 A987 F988	L690-V984 HydrophobicContact CD1-CG1 4.45Å; L690-V984 HydrophobicContact CD1-CG2 4.21Å; L979-V984 HydrophobicContact CD2-CB 4.17Å; L979-V984 HydrophobicContact CD2-CG1 3.85Å; L979-V984 PolarHBondContact O-N 2.99Å; L979-V984 VanDerWaalsContact O-N 3.07Å; Q982-V984 HydrophobicContact CB-CG2 3.86Å; Q982-V984 WeakPolarHBondContact O-CG2 3.48Å; Q982-V984 PolarHBondContact O-N 2.89Å; V984-I986 VanDerWaalsContact C-N 3.3Å; V984-I986 PolarHBondContact O-N 3.01Å; V984-A987 WeakPolarHBondContact O-CA 3.39Å; V984-A987 WeakPolarHBondContact O-CB 3.49Å; V984-A987 PolarHBondContact O-N 3.4Å; V984-F988 PolarHBondContact O-N 3.05Å
985	I	39.8	Very low	48	Very low	82 Å²	82	77.7 Å²	77.7	42%	0.421	42%	0.417	S	S	.	.	H	α-helix	trans	-65.4	-34.6	176.3	-66.8	-173.5	0	0	0	111.6	L979 A980 A987 F988	L979-I985 HydrophobicContact CB-CG1 4.36Å; A980-I985 HydrophobicContact CB-CD1 3.55Å; A980-I985 HydrophobicContact CB-CG1 4.3Å; I985-A987 PolarHBondContact O-N 3.05Å; I985-F988 PolarHBondContact O-N 2.75Å; I985-F988 VanDerWaalsContact O-N 3.11Å
986	I	36.4	Very low	46.3	Very low	122 Å²	122	80.1 Å²	80.1	63%	0.626	44%	0.438	S	S	*	.	H	α-helix	trans	-67	-30.5	173.9	-59.1	178	0	0	0	110.5	V984 F988 V990	V984-I986 VanDerWaalsContact C-N 3.3Å; V984-I986 PolarHBondContact O-N 3.01Å; I986-F988 VanDerWaalsContact C-N 3.34Å; I986-V990 WeakPolarHBondContact O-CB 3.37Å; I986-V990 VanDerWaalsContact O-CG2 3.26Å; I986-V990 WeakPolarHBondContact O-CG2 3.41Å; I986-V990 PolarHBondContact O-N 3.02Å
987	A	35.3	Very low	44.4	Very low	40 Å²	40	81.3 Å²	81.3	33%	0.331	45%	0.448	S	S	.	.	H	α-helix	trans	-69.9	-27.2	172.9	0	0	0	0	0	112.9	V984 I985 V990 S991	V984-A987 WeakPolarHBondContact O-CA 3.39Å; V984-A987 WeakPolarHBondContact O-CB 3.49Å; V984-A987 PolarHBondContact O-N 3.4Å; I985-A987 PolarHBondContact O-N 3.05Å; A987-V990 CarbonylContact O-C 3.6Å; A987-S991 WeakPolarHBondContact O-CA 3.4Å; A987-S991 WeakPolarHBondContact O-CB 3.35Å; A987-S991 PolarHBondContact O-N 3.46Å; A987-S991 PolarHBondContact O-OG 2.6Å
988	F	36.9	Very low	42.9	Very low	74 Å²	74	79.6 Å²	79.6	33%	0.325	44%	0.443	S	S	.	.	H	α-helix	trans	-85.1	-20.6	-174.6	-126.6	-78.2	0	0	0	115.1	M840 V967 V984 I985 I986 S991	M840-F988 HydrophobicContact CE-CD2 4.41Å; M840-F988 HydrophobicContact CE-CE2 3.82Å; M840-F988 HydrophobicContact SD-CE2 4.24Å; V967-F988 HydrophobicContact CG2-CD1 3.82Å; V967-F988 HydrophobicContact CG2-CE1 3.4Å; V967-F988 VanDerWaalsContact CG2-CE1 3.4Å; V967-F988 HydrophobicContact CG2-CZ 3.93Å; V984-F988 PolarHBondContact O-N 3.05Å; I985-F988 PolarHBondContact O-N 2.75Å; I985-F988 VanDerWaalsContact O-N 3.11Å; I986-F988 VanDerWaalsContact C-N 3.34Å; F988-S991 PolarHBondContact O-OG 3.45Å; F988-S991 VanDerWaalsContact O-OG 3.1Å
989	E	32.9	Very low	41.8	Very low	179 Å²	179	79.5 Å²	79.5	84%	0.836	45%	0.452	S	S	*	.	H	α-helix	trans	-88.8	-18.5	167.4	-69.4	-169.7	142.4	0	0	112.5
990	V	32	Very low	40.7	Very low	78 Å²	78	85.3 Å²	85.3	47%	0.473	48%	0.477	S	S	.	.	H	α-helix	trans	-101.2	-5.9	177.6	-176.3	0	0	0	0	112.3	I986 A987 G992 S993	I986-V990 WeakPolarHBondContact O-CB 3.37Å; I986-V990 VanDerWaalsContact O-CG2 3.26Å; I986-V990 WeakPolarHBondContact O-CG2 3.41Å; I986-V990 PolarHBondContact O-N 3.02Å; A987-V990 CarbonylContact O-C 3.6Å; V990-G992 PolarHBondContact O-N 3.06Å; V990-G992 VanDerWaalsContact O-N 3.12Å; V990-S993 PolarHBondContact O-N 3.34Å; V990-S993 PolarHBondContact O-OG 3.21Å
991	S	32.3	Very low	39.8	Very low	45 Å²	45	88.4 Å²	88.4	32%	0.315	48%	0.484	S	S	.	.			trans	-68	-10.7	-177.3	52.6	0	0	0	0	114.8	A987 F988 S993 M994	A987-S991 WeakPolarHBondContact O-CA 3.4Å; A987-S991 WeakPolarHBondContact O-CB 3.35Å; A987-S991 PolarHBondContact O-N 3.46Å; A987-S991 PolarHBondContact O-OG 2.6Å; F988-S991 PolarHBondContact O-OG 3.45Å; F988-S991 VanDerWaalsContact O-OG 3.1Å; S991-S993 PolarHBondContact O-N 2.96Å; S991-M994 PolarHBondContact O-N 3.12Å; S991-M994 VanDerWaalsContact O-N 3.14Å
992	G	32.8	Very low	39.3	Very low	17 Å²	17	81.1 Å²	81.1	18%	0.175	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	20.8	165.8	0	0	0	0	0	114.8	S933 V990	S933-G992 WeakPolarHBondContact CB-O 3.4Å; S933-G992 PolarHBondContact OG-O 3.13Å; S933-G992 VanDerWaalsContact OG-O 3.08Å; V990-G992 PolarHBondContact O-N 3.06Å; V990-G992 VanDerWaalsContact O-N 3.12Å
993	S	28.5	Very low	39.2	Very low	86 Å²	86	80.8 Å²	80.8	60%	0.601	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.9	9.4	171.7	63	0	0	0	0	113.8	V990 S991 N995	V990-S993 PolarHBondContact O-N 3.34Å; V990-S993 PolarHBondContact O-OG 3.21Å; S991-S993 PolarHBondContact O-N 2.96Å; S993-N995 PolarHBondContact O-N 3.25Å
994	M	29.1	Very low	39.7	Very low	114 Å²	114	79.3 Å²	79.3	56%	0.562	44%	0.442	S	S	*	.			trans	-99.2	61.5	-176.4	-68.7	-161.8	-175.6	0	0	113.4	S991 A996	S991-M994 PolarHBondContact O-N 3.12Å; S991-M994 VanDerWaalsContact O-N 3.14Å; M994-A996 VanDerWaalsContact C-N 3.34Å
995	N	34.4	Very low	40.6	Very low	95 Å²	95	81 Å²	81	51%	0.508	45%	0.45	S	S	.	.			trans	-103.4	33.5	156.8	-112.8	-14.7	0	0	0	111.5	R844 S993	R844-N995 PolarHBondContact NH1-ND2 3.27Å; R844-N995 PolarHBondContact NH1-OD1 2.89Å; R844-N995 PolarHBondContact NH2-OD1 3.31Å; S993-N995 PolarHBondContact O-N 3.25Å
996	A	34.5	Very low	42	Very low	57 Å²	57	84.3 Å²	84.3	47%	0.471	46%	0.462	S	S	.	.	S	Bend	trans	-116.9	140.7	159.5	0	0	0	0	0	107.2	M994	M994-A996 VanDerWaalsContact C-N 3.34Å
997	P	33.9	Very low	43.6	Very low	62 Å²	62	88.6 Å²	88.6	40%	0.403	48%	0.479	S	S	.	.			trans	-57.2	146.9	177.5	26.2	-35.1	0	0	0	109.8	S999	P997-S999 PolarHBondContact O-N 2.88Å; P997-S999 VanDerWaalsContact O-N 3.07Å
998	P	38.8	Very low	45.6	Very low	66 Å²	66	90.3 Å²	90.3	43%	0.429	50%	0.5	S	S	.	.			trans	-48.5	122	-173.5	19.8	-32.9	0	0	0	109.6	F1000 E1001	P998-F1000 PolarHBondContact O-N 2.87Å; P998-E1001 HydrophobicContact CG-CG 4.22Å; P998-E1001 PolarHBondContact O-N 2.95Å
999	S	46.7	Very low	47.5	Very low	84 Å²	84	90.9 Å²	90.9	59%	0.587	50%	0.504	S	S	*	.	H	α-helix	trans	-54.1	-33.8	-159.9	53.6	0	0	0	0	112.8	P997 E1001 S1002 F1003	P997-S999 PolarHBondContact O-N 2.88Å; P997-S999 VanDerWaalsContact O-N 3.07Å; S999-E1001 PolarHBondContact O-N 3.36Å; S999-S1002 WeakPolarHBondContact CA-OG 3.36Å; S999-S1002 PolarHBondContact O-N 3.39Å; S999-S1002 PolarHBondContact O-OG 3.21Å; S999-F1003 WeakPolarHBondContact O-CD2 3.4Å; S999-F1003 WeakPolarHBondContact O-CE2 3.38Å; S999-F1003 PolarHBondContact O-N 2.6Å
1000	F	45.2	Very low	49.9	Very low	132 Å²	132	88.7 Å²	88.7	58%	0.579	49%	0.493	S	S	*	.	H	α-helix	trans	-58.9	-37.3	175.7	114.4	-85.9	0	0	0	114.4	P998 F1003 L1004	P998-F1000 PolarHBondContact O-N 2.87Å; F1000-F1003 PolarHBondContact O-N 3.42Å; F1000-L1004 HydrophobicContact CD2-CD1 3.87Å; F1000-L1004 HydrophobicContact CE2-CD1 3.53Å; F1000-L1004 HydrophobicContact CZ-CD1 4.27Å; F1000-L1004 PolarHBondContact O-N 2.9Å
1001	E	46.7	Very low	52.5	Low	107 Å²	107	87.5 Å²	87.5	50%	0.5	48%	0.482	S	S	.	.	H	α-helix	trans	-77.3	-28.6	177.6	-62.2	-157.7	155.1	0	0	112.7	P998 S999 F1003 L1004 K1030	P998-E1001 HydrophobicContact CG-CG 4.22Å; P998-E1001 PolarHBondContact O-N 2.95Å; S999-E1001 PolarHBondContact O-N 3.36Å; E1001-F1003 PolarHBondContact O-N 3.05Å; E1001-L1004 PolarHBondContact O-N 2.73Å; E1001-K1030 PolarHBondContact O-NZ 3.38Å
1002	S	52	Low	55.2	Low	9 Å²	9	88.4 Å²	88.4	6%	0.063	49%	0.485	C	S	.	.	H	α-helix	trans	-76.1	-1.7	171.7	44.3	0	0	0	0	113.5	S999 K1030	S999-S1002 WeakPolarHBondContact CA-OG 3.36Å; S999-S1002 PolarHBondContact O-N 3.39Å; S999-S1002 PolarHBondContact O-OG 3.21Å; S1002-K1030 VanDerWaalsContact O-CB 3.26Å; S1002-K1030 WeakPolarHBondContact O-CB 3.35Å; S1002-K1030 WeakPolarHBondContact O-CD 3.15Å
1003	F	56.6	Low	58.1	Low	86 Å²	86	89.9 Å²	89.9	38%	0.377	49%	0.491	S	S	.	.	H	α-helix	trans	-105.1	-20.9	166.8	-64.1	-61.3	0	0	0	115	S999 F1000 E1001 K1030	S999-F1003 WeakPolarHBondContact O-CD2 3.4Å; S999-F1003 WeakPolarHBondContact O-CE2 3.38Å; S999-F1003 PolarHBondContact O-N 2.6Å; F1000-F1003 PolarHBondContact O-N 3.42Å; E1001-F1003 PolarHBondContact O-N 3.05Å; F1003-K1030 VanDerWaalsContact CD1-O 3.25Å; F1003-K1030 WeakPolarHBondContact CD1-O 3.09Å
1004	L	60.8	Low	61.2	Low	95 Å²	95	89.1 Å²	89.1	50%	0.497	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-69.5	131.2	-179.4	-85.2	165.2	0	0	0	113.1	F1000 E1001 K1030	F1000-L1004 HydrophobicContact CD2-CD1 3.87Å; F1000-L1004 HydrophobicContact CE2-CD1 3.53Å; F1000-L1004 HydrophobicContact CZ-CD1 4.27Å; F1000-L1004 PolarHBondContact O-N 2.9Å; E1001-L1004 PolarHBondContact O-N 2.73Å; L1004-K1030 WeakPolarHBondContact O-CD 3.19Å; L1004-K1030 WeakPolarHBondContact O-CE 3.32Å; L1004-K1030 PolarHBondContact O-NZ 3.33Å
1005	L	67.8	Low	64.2	Low	70 Å²	70	88.5 Å²	88.5	37%	0.366	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-91.5	135.2	175.4	-68.1	159.3	0	0	0	111	E1009 K1011	L1005-E1009 HydrophobicContact CD2-CB 4.37Å; L1005-E1009 HydrophobicContact CD2-CG 4.32Å; L1005-K1011 HydrophobicContact CD1-CB 3.77Å; L1005-K1011 HydrophobicContact CD1-CD 3.99Å; L1005-K1011 HydrophobicContact CD1-CG 4.38Å; L1005-K1011 HydrophobicContact CD2-CB 4.38Å; L1005-K1011 HydrophobicContact CD2-CD 4.16Å; L1005-K1011 HydrophobicContact CG-CD 4.26Å
1006	F	67.7	Low	66.9	Low	153 Å²	153	90.6 Å²	90.6	67%	0.671	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-77.7	161.7	172.4	-67.2	-74	0	0	0	112.1	G1008 E1009	F1006-G1008 PolarHBondContact O-N 3.01Å; F1006-E1009 WeakPolarHBondContact O-CB 3.34Å; F1006-E1009 PolarHBondContact O-N 3.37Å
1007	H	70.9	Confident	69.4	Low	212 Å²	212	90.1 Å²	90.1	98%	0.981	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	109.5	-172.5	-143.6	-33.3	0	0	0	111.5
1008	G	78	Confident	71.9	Confident	76 Å²	76	93.9 Å²	93.9	78%	0.784	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-8	-178.4	0	0	0	0	0	115.2	F1006	F1006-G1008 PolarHBondContact O-N 3.01Å
1009	E	76.9	Confident	74.2	Confident	86 Å²	86	99.9 Å²	99.9	40%	0.402	51%	0.512	S	S	.	.			trans	-82.9	130.3	177.5	-160.8	172.6	-151.5	0	0	111.3	L1005 F1006	L1005-E1009 HydrophobicContact CD2-CB 4.37Å; L1005-E1009 HydrophobicContact CD2-CG 4.32Å; F1006-E1009 WeakPolarHBondContact O-CB 3.34Å; F1006-E1009 PolarHBondContact O-N 3.37Å
1010	Q	81.6	Confident	76.1	Confident	132 Å²	132	97.5 Å²	97.5	62%	0.617	49%	0.494	S	S	*	.			trans	-90.8	129.4	178.4	-68.7	-170.5	-5.3	0	0	111.2	V1012 N1029	Q1010-V1012 VanDerWaalsContact C-N 3.32Å; Q1010-V1012 PolarHBondContact O-N 2.97Å; Q1010-N1029 PolarHBondContact O-ND2 3.27Å
1011	K	87.2	Confident	78.1	Confident	53 Å²	53	96.3 Å²	96.3	23%	0.23	50%	0.5	C	S	.	.	S	Bend	trans	-56.4	-44.3	175.3	-165.8	69.8	179.3	-176	0	112.5	L1005 I1028 N1029 K1030 E1031	L1005-K1011 HydrophobicContact CD1-CB 3.77Å; L1005-K1011 HydrophobicContact CD1-CD 3.99Å; L1005-K1011 HydrophobicContact CD1-CG 4.38Å; L1005-K1011 HydrophobicContact CD2-CB 4.38Å; L1005-K1011 HydrophobicContact CD2-CD 4.16Å; L1005-K1011 HydrophobicContact CG-CD 4.26Å; K1011-I1028 CarbonylContact O-C 3.55Å; K1011-I1028 WeakPolarHBondContact O-CA 3.47Å; K1011-N1029 WeakPolarHBondContact CD-O 3.44Å; K1011-N1029 VanDerWaalsContact CE-O 3.3Å; K1011-N1029 WeakPolarHBondContact CE-O 3.28Å; K1011-N1029 PolarHBondContact NZ-O 3.36Å; K1011-N1029 PolarHBondContact O-N 2.74Å; K1011-K1030 PolarHBondContact NZ-O 3.43Å; K1011-E1031 WeakPolarHBondContact CE-OE1 3.22Å; K1011-E1031 IonicContact NZ-OE1 3.99Å; K1011-E1031 PolarHBondContact NZ-OE1 3.35Å
1012	V	90.1	Very high	80.2	Confident	64 Å²	64	93.2 Å²	93.2	39%	0.388	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.8	-176.2	-175.6	0	0	0	0	109.7	Q1010 V1014 F1026 I1027 I1028	Q1010-V1012 VanDerWaalsContact C-N 3.32Å; Q1010-V1012 PolarHBondContact O-N 2.97Å; V1012-V1014 HydrophobicContact CG1-CG2 4.11Å; V1012-F1026 HydrophobicContact CG1-CD1 4.39Å; V1012-I1027 CarbonylContact C-O 3.57Å; V1012-I1027 WeakPolarHBondContact CA-O 3.24Å; V1012-I1028 HydrophobicContact CG2-CG1 4.38Å; V1012-I1028 HydrophobicContact CG2-CG2 4.31Å
1013	T	92	Very high	82.3	Confident	49 Å²	49	92.8 Å²	92.8	30%	0.301	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.1	169.6	-45.3	0	0	0	0	109.2	I1027	T1013-I1027 PolarHBondContact N-O 2.66Å; T1013-I1027 PolarHBondContact O-N 3.38Å
1014	V	93.5	Very high	84.2	Confident	69 Å²	69	90.4 Å²	90.4	42%	0.418	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.1	-175.9	-177.8	0	0	0	0	110.2	V1012 Y1024 F1026 V1077	V1012-V1014 HydrophobicContact CG1-CG2 4.11Å; V1014-Y1024 HydrophobicContact CG1-CD1 3.63Å; V1014-Y1024 HydrophobicContact CG1-CE1 4.16Å; V1014-F1026 HydrophobicContact CG1-CD1 4.32Å; V1014-F1026 HydrophobicContact CG1-CE1 4.02Å; V1014-F1026 HydrophobicContact CG1-CZ 4.45Å; V1014-F1026 HydrophobicContact CG2-CD1 3.74Å; V1014-F1026 HydrophobicContact CG2-CE1 3.91Å; V1014-V1077 HydrophobicContact CG1-CG2 4.15Å
1015	Q	92.6	Very high	85.8	Confident	102 Å²	102	87.5 Å²	87.5	48%	0.477	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130	177.4	-63.4	-174.8	1.7	0	0	110.3	Y1024 L1025	Q1015-Y1024 WeakPolarHBondContact O-CA 3.3Å; Q1015-L1025 HydrophobicContact CB-CB 4.46Å; Q1015-L1025 PolarHBondContact N-O 2.84Å; Q1015-L1025 PolarHBondContact O-N 2.83Å
1016	K	91.3	Very high	87.1	Confident	138 Å²	138	84.5 Å²	84.5	60%	0.6	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.9	171.9	-176.7	174.5	-174.1	171	0	109.3	Y1024	K1016-Y1024 HydrophobicContact CB-CD1 4.22Å; K1016-Y1024 HydrophobicContact CB-CE1 3.75Å; K1016-Y1024 HydrophobicContact CB-CE2 4.24Å; K1016-Y1024 HydrophobicContact CD-CE2 4.2Å; K1016-Y1024 HydrophobicContact CG-CD2 4.36Å; K1016-Y1024 HydrophobicContact CG-CE1 4.22Å; K1016-Y1024 HydrophobicContact CG-CE2 3.79Å
1017	E	87.7	Confident	88.3	Confident	48 Å²	48	77.9 Å²	77.9	22%	0.224	41%	0.413	C	S	.	.			trans	-82.2	128.4	178.9	-153.7	173.9	-136.8	0	0	110.6	A1023 R1067	E1017-A1023 HydrophobicContact CB-CB 4.04Å; E1017-A1023 WeakPolarHBondContact CB-O 3.31Å; E1017-A1023 PolarHBondContact N-O 2.84Å; E1017-A1023 WeakPolarHBondContact OE2-CB 3.26Å; E1017-R1067 VanDerWaalsContact CD-NE 3.27Å; E1017-R1067 VanDerWaalsContact CD-NH2 3.28Å; E1017-R1067 IonicContact OE1-CZ 3.3Å; E1017-R1067 VanDerWaalsContact OE1-CZ 3.3Å; E1017-R1067 IonicContact OE1-NE 2.98Å; E1017-R1067 PolarHBondContact OE1-NE 2.7Å; E1017-R1067 IonicContact OE1-NH2 2.75Å; E1017-R1067 PolarHBondContact OE1-NH2 3.08Å; E1017-R1067 IonicContact OE2-CZ 3.61Å; E1017-R1067 IonicContact OE2-NE 3.44Å; E1017-R1067 PolarHBondContact OE2-NE 3.1Å; E1017-R1067 IonicContact OE2-NH2 3.98Å; E1017-R1067 PolarHBondContact OE2-NH2 2.91Å
1018	T	86.7	Confident	89.3	Confident	140 Å²	140	68.3 Å²	68.3	86%	0.859	37%	0.369	S	S	*	.	S	Bend	trans	-84	-19.3	-173.5	48.1	0	0	0	0	114.1
1019	K	87.4	Confident	89.8	Confident	192 Å²	192	65.3 Å²	65.3	84%	0.835	34%	0.335	S	S	*	.	S	Bend	trans	-92.3	-19.3	-174.4	-66.9	-174.9	178.9	179.9	0	114.5
1020	V	85.7	Confident	90.2	Very high	34 Å²	34	63.1 Å²	63.1	21%	0.206	32%	0.324	C	S	.	.	S	Bend	trans	-130.7	126.1	-173.3	-177.8	0	0	0	0	109.5	A1023 Q1069	V1020-A1023 HydrophobicContact CB-CB 3.75Å; V1020-A1023 HydrophobicContact CG1-CB 3.8Å; V1020-A1023 PolarHBondContact O-N 2.85Å; V1020-Q1069 HydrophobicContact CG1-CG 4.36Å
1021	P	87.5	Confident	90.3	Very high	108 Å²	108	58.4 Å²	58.4	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	139.2	-179.3	27.5	-34.3	0	0	0	111.2	A1023 Q1069	P1021-A1023 PolarHBondContact O-N 2.85Å; P1021-Q1069 PolarHBondContact O-NE2 3.2Å
1022	N	91.5	Very high	90.2	Very high	41 Å²	41	58.2 Å²	58.2	22%	0.219	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	29.7	-175.1	-105.4	24.2	0	0	0	115.3	Q1069 T1070 T1071 P1072 Y1074 P1076	N1022-Q1069 WeakPolarHBondContact O-CA 3.35Å; N1022-T1070 PolarHBondContact O-N 3.22Å; N1022-T1071 PolarHBondContact ND2-O 3.28Å; N1022-P1072 WeakPolarHBondContact ND2-CA 3.2Å; N1022-P1072 PolarHBondContact ND2-O 2.83Å; N1022-Y1074 PolarHBondContact ND2-O 3.44Å; N1022-P1076 WeakPolarHBondContact O-CG 3.4Å
1023	A	94.4	Very high	90.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	140.6	170.9	0	0	0	0	0	112.4	E1017 V1020 P1021 V1068 Q1069	E1017-A1023 HydrophobicContact CB-CB 4.04Å; E1017-A1023 WeakPolarHBondContact CB-O 3.31Å; E1017-A1023 PolarHBondContact N-O 2.84Å; E1017-A1023 WeakPolarHBondContact OE2-CB 3.26Å; V1020-A1023 HydrophobicContact CB-CB 3.75Å; V1020-A1023 HydrophobicContact CG1-CB 3.8Å; V1020-A1023 PolarHBondContact O-N 2.85Å; P1021-A1023 PolarHBondContact O-N 2.85Å; A1023-V1068 WeakPolarHBondContact CA-O 3.11Å; A1023-Q1069 HydrophobicContact CB-CB 4.14Å; A1023-Q1069 HydrophobicContact CB-CG 4.15Å
1024	Y	96.4	Very high	89.7	Confident	35 Å²	35	61.4 Å²	61.4	14%	0.137	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.3	178.4	-85.4	-110.8	0	0	0	110.5	V1014 Q1015 K1016 V1068 P1076 V1077	V1014-Y1024 HydrophobicContact CG1-CD1 3.63Å; V1014-Y1024 HydrophobicContact CG1-CE1 4.16Å; Q1015-Y1024 WeakPolarHBondContact O-CA 3.3Å; K1016-Y1024 HydrophobicContact CB-CD1 4.22Å; K1016-Y1024 HydrophobicContact CB-CE1 3.75Å; K1016-Y1024 HydrophobicContact CB-CE2 4.24Å; K1016-Y1024 HydrophobicContact CD-CE2 4.2Å; K1016-Y1024 HydrophobicContact CG-CD2 4.36Å; K1016-Y1024 HydrophobicContact CG-CE1 4.22Å; K1016-Y1024 HydrophobicContact CG-CE2 3.79Å; Y1024-V1068 PolarHBondContact N-O 2.56Å; Y1024-V1068 PolarHBondContact O-N 2.92Å; Y1024-P1076 HydrophobicContact CD2-CB 4.11Å; Y1024-P1076 HydrophobicContact CD2-CG 3.78Å; Y1024-P1076 HydrophobicContact CG-CB 4.28Å; Y1024-P1076 HydrophobicContact CG-CG 4.43Å; Y1024-V1077 HydrophobicContact CD1-CG2 4.35Å; Y1024-V1077 HydrophobicContact CE1-CG2 4.47Å
1025	L	95	Very high	89.4	Confident	34 Å²	34	60.2 Å²	60.2	18%	0.178	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.9	172.6	-178.7	69.4	0	0	0	109.2	Q1015 I1027 Y1065 R1067	Q1015-L1025 HydrophobicContact CB-CB 4.46Å; Q1015-L1025 PolarHBondContact N-O 2.84Å; Q1015-L1025 PolarHBondContact O-N 2.83Å; L1025-I1027 HydrophobicContact CD2-CD1 4.43Å; L1025-I1027 HydrophobicContact CD2-CG1 4.25Å; L1025-I1027 HydrophobicContact CG-CG1 4.28Å; L1025-Y1065 HydrophobicContact CD1-CD2 4.38Å; L1025-Y1065 HydrophobicContact CD2-CD2 4.19Å; L1025-R1067 HydrophobicContact CD1-CB 4.33Å
1026	F	94.8	Very high	89.3	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.6	174.5	-60.2	-99.7	0	0	0	107.6	V1012 V1014 L1066 V1068 P1076 V1077 V1080	V1012-F1026 HydrophobicContact CG1-CD1 4.39Å; V1014-F1026 HydrophobicContact CG1-CD1 4.32Å; V1014-F1026 HydrophobicContact CG1-CE1 4.02Å; V1014-F1026 HydrophobicContact CG1-CZ 4.45Å; V1014-F1026 HydrophobicContact CG2-CD1 3.74Å; V1014-F1026 HydrophobicContact CG2-CE1 3.91Å; F1026-L1066 HydrophobicContact CB-CB 4.31Å; F1026-L1066 PolarHBondContact N-O 3.39Å; F1026-L1066 PolarHBondContact O-N 2.9Å; F1026-V1068 HydrophobicContact CD2-CG2 4.11Å; F1026-V1068 HydrophobicContact CE2-CB 4.14Å; F1026-V1068 HydrophobicContact CE2-CG2 4.06Å; F1026-P1076 HydrophobicContact CE2-CB 4.46Å; F1026-P1076 HydrophobicContact CZ-CB 4.49Å; F1026-V1077 HydrophobicContact CE1-CG2 4.02Å; F1026-V1077 HydrophobicContact CZ-CB 4.41Å; F1026-V1077 HydrophobicContact CZ-CG2 3.87Å; F1026-V1080 HydrophobicContact CD1-CG2 4.48Å; F1026-V1080 HydrophobicContact CD2-CG2 4.15Å; F1026-V1080 HydrophobicContact CE1-CB 4.33Å; F1026-V1080 HydrophobicContact CE1-CG2 4.1Å; F1026-V1080 HydrophobicContact CE2-CG2 3.75Å; F1026-V1080 HydrophobicContact CZ-CB 4.33Å; F1026-V1080 HydrophobicContact CZ-CG2 3.72Å
1027	I	93.1	Very high	89.2	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.072	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.3	174.5	-58.7	172.5	0	0	0	106.5	V1012 T1013 L1025 K1063 I1064 Y1065	V1012-I1027 CarbonylContact C-O 3.57Å; V1012-I1027 WeakPolarHBondContact CA-O 3.24Å; T1013-I1027 PolarHBondContact N-O 2.66Å; T1013-I1027 PolarHBondContact O-N 3.38Å; L1025-I1027 HydrophobicContact CD2-CD1 4.43Å; L1025-I1027 HydrophobicContact CD2-CG1 4.25Å; L1025-I1027 HydrophobicContact CG-CG1 4.28Å; I1027-K1063 HydrophobicContact CG2-CD 4.43Å; I1027-K1063 VanDerWaalsContact CG2-CE 3.44Å; I1027-K1063 HydrophobicContact CG2-CG 4.21Å; I1027-I1064 WeakPolarHBondContact CA-O 3.15Å; I1027-Y1065 HydrophobicContact CD1-CE2 4.44Å; I1027-Y1065 HydrophobicContact CG1-CE1 4.46Å; I1027-Y1065 HydrophobicContact CG1-CE2 4.47Å; I1027-Y1065 HydrophobicContact CG2-CD1 4.34Å; I1027-Y1065 HydrophobicContact CG2-CE1 3.99Å
1028	I	91.5	Very high	89.4	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.062	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.2	179.9	-48.3	177.3	0	0	0	107.2	K1011 V1012 E1031 L1035 L1039 K1063 I1064	K1011-I1028 CarbonylContact O-C 3.55Å; K1011-I1028 WeakPolarHBondContact O-CA 3.47Å; V1012-I1028 HydrophobicContact CG2-CG1 4.38Å; V1012-I1028 HydrophobicContact CG2-CG2 4.31Å; I1028-E1031 HydrophobicContact CG2-CB 4.01Å; I1028-E1031 HydrophobicContact CG2-CG 3.55Å; I1028-L1035 HydrophobicContact CD1-CD2 4.44Å; I1028-L1035 HydrophobicContact CG2-CD2 4.29Å; I1028-L1039 HydrophobicContact CD1-CD1 3.92Å; I1028-K1063 CarbonylContact O-C 3.59Å; I1028-K1063 WeakPolarHBondContact O-CA 3.34Å; I1028-I1064 HydrophobicContact CB-CB 4.25Å; I1028-I1064 PolarHBondContact N-O 2.65Å; I1028-I1064 PolarHBondContact O-N 3.15Å
1029	N	89.2	Confident	89.7	Confident	13 Å²	13	47.4 Å²	47.4	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	153.4	177.4	-62.7	-51	0	0	0	110.4	Q1010 K1011 K1063	Q1010-N1029 PolarHBondContact O-ND2 3.27Å; K1011-N1029 WeakPolarHBondContact CD-O 3.44Å; K1011-N1029 VanDerWaalsContact CE-O 3.3Å; K1011-N1029 WeakPolarHBondContact CE-O 3.28Å; K1011-N1029 PolarHBondContact NZ-O 3.36Å; K1011-N1029 PolarHBondContact O-N 2.74Å; N1029-K1063 WeakPolarHBondContact OD1-CE 3.43Å; N1029-K1063 PolarHBondContact OD1-NZ 3.17Å
1030	K	84.4	Confident	90	Very high	39 Å²	39	40.5 Å²	40.5	17%	0.17	22%	0.215	C	C	.	.	S	Bend	trans	58.3	48.3	174.1	-67.4	-98.1	-172.7	148.9	0	111.5	E1001 S1002 F1003 L1004 K1011 H1062	E1001-K1030 PolarHBondContact O-NZ 3.38Å; S1002-K1030 VanDerWaalsContact O-CB 3.26Å; S1002-K1030 WeakPolarHBondContact O-CB 3.35Å; S1002-K1030 WeakPolarHBondContact O-CD 3.15Å; F1003-K1030 VanDerWaalsContact CD1-O 3.25Å; F1003-K1030 WeakPolarHBondContact CD1-O 3.09Å; L1004-K1030 WeakPolarHBondContact O-CD 3.19Å; L1004-K1030 WeakPolarHBondContact O-CE 3.32Å; L1004-K1030 PolarHBondContact O-NZ 3.33Å; K1011-K1030 PolarHBondContact NZ-O 3.43Å; K1030-H1062 VanDerWaalsContact CA-O 3.25Å; K1030-H1062 WeakPolarHBondContact CA-O 3.38Å; K1030-H1062 PolarHBondContact N-O 3.2Å
1031	E	85.5	Confident	90.2	Very high	33 Å²	33	42.8 Å²	42.8	15%	0.154	23%	0.226	C	C	.	.			trans	-151.8	164.4	-179.5	-68.9	-62.2	161	0	0	111.1	K1011 I1028 L1035 H1062 K1063 I1064	K1011-E1031 WeakPolarHBondContact CE-OE1 3.22Å; K1011-E1031 IonicContact NZ-OE1 3.99Å; K1011-E1031 PolarHBondContact NZ-OE1 3.35Å; I1028-E1031 HydrophobicContact CG2-CB 4.01Å; I1028-E1031 HydrophobicContact CG2-CG 3.55Å; E1031-L1035 HydrophobicContact CB-CD2 4.03Å; E1031-L1035 HydrophobicContact CG-CD2 3.58Å; E1031-H1062 PolarHBondContact N-O 3.27Å; E1031-H1062 CarbonylContact O-C 3.54Å; E1031-H1062 WeakPolarHBondContact O-CA 3.5Å; E1031-K1063 PolarHBondContact O-N 2.74Å; E1031-I1064 HydrophobicContact CB-CD1 3.49Å; E1031-I1064 VanDerWaalsContact CB-CD1 3.49Å; E1031-I1064 HydrophobicContact CB-CG1 3.91Å
1032	D	84.2	Confident	90.5	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.262	20%	0.198	S	C	.	.			trans	-129.6	-168.4	-168	77.9	-12.5	0	0	0	115.2	T1034 L1035 G1036 I1064	D1032-T1034 PolarHBondContact O-N 2.75Å; D1032-T1034 WeakPolarHBondContact OD1-CA 3.36Å; D1032-T1034 WeakPolarHBondContact OD1-CB 3.3Å; D1032-T1034 PolarHBondContact OD1-N 3.07Å; D1032-T1034 PolarHBondContact OD1-OG1 3.34Å; D1032-T1034 PolarHBondContact OD2-OG1 3.2Å; D1032-L1035 PolarHBondContact OD1-N 3.31Å; D1032-G1036 PolarHBondContact O-N 3.37Å; D1032-I1064 WeakPolarHBondContact O-CD1 3.34Å
1033	H	87.2	Confident	90.6	Very high	95 Å²	95	36.9 Å²	36.9	44%	0.44	19%	0.188	S	C	.	.	H	α-helix	trans	-58.4	-25.1	175.2	-77.1	-77.6	0	0	0	114.7	G1036 N1037 Y1054 Q1056	H1033-G1036 PolarHBondContact O-N 3.19Å; H1033-N1037 WeakPolarHBondContact O-CB 3.4Å; H1033-N1037 PolarHBondContact O-N 3.29Å; H1033-N1037 PolarHBondContact O-ND2 3.48Å; H1033-Y1054 AromaticContact ND1-CE2 3.45Å; H1033-Y1054 WeakPolarHBondContact ND1-CE2 3.28Å; H1033-Y1054 AromaticContact ND1-CZ 3.65Å; H1033-Y1054 PolarHBondContact ND1-OH 3.45Å; H1033-Y1054 PolarHBondContact O-OH 2.83Å; H1033-Q1056 PolarHBondContact CD2-OE1 2.99Å; H1033-Q1056 PolarHBondContact NE2-OE1 2.86Å
1034	T	84.8	Confident	90.6	Very high	86 Å²	86	41.2 Å²	41.2	53%	0.528	21%	0.21	S	C	.	.	H	α-helix	trans	-68.4	-55.6	-175.9	-46.1	0	0	0	0	110.3	D1032 G1036 N1037 L1038	D1032-T1034 PolarHBondContact O-N 2.75Å; D1032-T1034 WeakPolarHBondContact OD1-CA 3.36Å; D1032-T1034 WeakPolarHBondContact OD1-CB 3.3Å; D1032-T1034 PolarHBondContact OD1-N 3.07Å; D1032-T1034 PolarHBondContact OD1-OG1 3.34Å; D1032-T1034 PolarHBondContact OD2-OG1 3.2Å; T1034-G1036 VanDerWaalsContact C-N 3.28Å; T1034-G1036 PolarHBondContact O-N 3.09Å; T1034-N1037 PolarHBondContact O-N 2.89Å; T1034-L1038 WeakPolarHBondContact O-CG 3.05Å; T1034-L1038 PolarHBondContact O-N 3.47Å
1035	L	86.9	Confident	90.4	Very high	43 Å²	43	45.6 Å²	45.6	23%	0.225	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-37.4	174.1	-176.5	69.3	0	0	0	111.2	I1028 E1031 D1032 N1037 L1038 L1039 I1064	I1028-L1035 HydrophobicContact CD1-CD2 4.44Å; I1028-L1035 HydrophobicContact CG2-CD2 4.29Å; E1031-L1035 HydrophobicContact CB-CD2 4.03Å; E1031-L1035 HydrophobicContact CG-CD2 3.58Å; D1032-L1035 PolarHBondContact OD1-N 3.31Å; L1035-N1037 PolarHBondContact O-N 3.47Å; L1035-L1038 PolarHBondContact O-N 3.03Å; L1035-L1039 HydrophobicContact CD1-CD1 4.24Å; L1035-L1039 HydrophobicContact CD2-CD1 4.43Å; L1035-L1039 HydrophobicContact CG-CD1 4.05Å; L1035-L1039 WeakPolarHBondContact O-CB 3.35Å; L1035-L1039 PolarHBondContact O-N 3.34Å; L1035-I1064 HydrophobicContact CB-CD1 4.06Å; L1035-I1064 HydrophobicContact CD2-CD1 4.25Å; L1035-I1064 HydrophobicContact CG-CD1 4.42Å
1036	G	89.5	Confident	90.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-45.9	177.9	0	0	0	0	0	113.1	D1032 H1033 T1034 K1040 Y1054	D1032-G1036 PolarHBondContact O-N 3.37Å; H1033-G1036 PolarHBondContact O-N 3.19Å; T1034-G1036 VanDerWaalsContact C-N 3.28Å; T1034-G1036 PolarHBondContact O-N 3.09Å; G1036-K1040 VanDerWaalsContact O-CB 3.26Å; G1036-K1040 WeakPolarHBondContact O-CB 3.01Å; G1036-K1040 PolarHBondContact O-N 3.09Å; G1036-K1040 VanDerWaalsContact O-N 3.08Å; G1036-Y1054 VanDerWaalsContact C-CD1 3.42Å; G1036-Y1054 WeakPolarHBondContact O-CD1 3.32Å; G1036-Y1054 WeakPolarHBondContact O-CE1 3.18Å
1037	N	91	Very high	90.1	Very high	74 Å²	74	56.9 Å²	56.9	40%	0.396	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-50.1	177	-79.1	-23	0	0	0	111.8	H1033 T1034 L1035 L1039 K1040 D1041 Y1054	H1033-N1037 WeakPolarHBondContact O-CB 3.4Å; H1033-N1037 PolarHBondContact O-N 3.29Å; H1033-N1037 PolarHBondContact O-ND2 3.48Å; T1034-N1037 PolarHBondContact O-N 2.89Å; L1035-N1037 PolarHBondContact O-N 3.47Å; N1037-L1039 PolarHBondContact O-N 2.86Å; N1037-K1040 PolarHBondContact O-N 2.91Å; N1037-K1040 VanDerWaalsContact O-N 3.09Å; N1037-D1041 PolarHBondContact O-N 3.38Å; N1037-Y1054 VanDerWaalsContact OD1-CE1 3.25Å; N1037-Y1054 WeakPolarHBondContact OD1-CE1 3.43Å; N1037-Y1054 PolarHBondContact OD1-OH 3.13Å
1038	L	90.9	Very high	90.2	Very high	81 Å²	81	60.8 Å²	60.8	42%	0.424	29%	0.288	S	S	.	.	H	α-helix	trans	-55.8	-49	-179.9	-74.2	170.9	0	0	0	111.7	T1034 L1035 K1040 K1042 L1087	T1034-L1038 WeakPolarHBondContact O-CG 3.05Å; T1034-L1038 PolarHBondContact O-N 3.47Å; L1035-L1038 PolarHBondContact O-N 3.03Å; L1038-K1040 PolarHBondContact O-N 3.45Å; L1038-K1042 WeakPolarHBondContact O-CB 3.46Å; L1038-K1042 PolarHBondContact O-N 3.11Å; L1038-L1087 HydrophobicContact CB-CD1 3.99Å; L1038-L1087 HydrophobicContact CB-CD2 4.02Å; L1038-L1087 HydrophobicContact CD1-CD2 4.14Å; L1038-L1087 HydrophobicContact CD2-CD2 4.19Å; L1038-L1087 HydrophobicContact CG-CD2 4.34Å
1039	L	92.4	Very high	90.3	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-42	175.7	-93.1	167.5	0	0	0	112.6	I1028 L1035 N1037 L1043 L1066 V1080 L1084	I1028-L1039 HydrophobicContact CD1-CD1 3.92Å; L1035-L1039 HydrophobicContact CD1-CD1 4.24Å; L1035-L1039 HydrophobicContact CD2-CD1 4.43Å; L1035-L1039 HydrophobicContact CG-CD1 4.05Å; L1035-L1039 WeakPolarHBondContact O-CB 3.35Å; L1035-L1039 PolarHBondContact O-N 3.34Å; N1037-L1039 PolarHBondContact O-N 2.86Å; L1039-L1043 HydrophobicContact CD2-CD1 4.47Å; L1039-L1043 WeakPolarHBondContact O-CB 3.26Å; L1039-L1043 WeakPolarHBondContact O-CD1 3.25Å; L1039-L1043 WeakPolarHBondContact O-CG 3.46Å; L1039-L1043 PolarHBondContact O-N 3.37Å; L1039-L1066 HydrophobicContact CB-CD2 4.2Å; L1039-L1066 HydrophobicContact CD1-CD2 4.02Å; L1039-V1080 HydrophobicContact CD2-CG1 4.35Å; L1039-L1084 HydrophobicContact CD1-CD2 4.34Å; L1039-L1084 HydrophobicContact CD2-CD2 4.01Å; L1039-L1084 HydrophobicContact CD2-CG 4.01Å; L1039-L1084 HydrophobicContact CG-CD2 4.34Å
1040	K	93.5	Very high	90.4	Very high	47 Å²	47	65.2 Å²	65.2	20%	0.204	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-47.8	-179.1	-169.8	-140.1	77.6	-132.9	0	111.2	G1036 N1037 L1038 L1044 Y1054	G1036-K1040 VanDerWaalsContact O-CB 3.26Å; G1036-K1040 WeakPolarHBondContact O-CB 3.01Å; G1036-K1040 PolarHBondContact O-N 3.09Å; G1036-K1040 VanDerWaalsContact O-N 3.08Å; N1037-K1040 PolarHBondContact O-N 2.91Å; N1037-K1040 VanDerWaalsContact O-N 3.09Å; L1038-K1040 PolarHBondContact O-N 3.45Å; K1040-L1044 HydrophobicContact CD-CD1 4.32Å; K1040-L1044 HydrophobicContact CG-CD1 4.2Å; K1040-L1044 WeakPolarHBondContact O-CD1 2.87Å; K1040-L1044 VanDerWaalsContact O-CG 3.23Å; K1040-L1044 WeakPolarHBondContact O-CG 3.37Å; K1040-L1044 PolarHBondContact O-N 2.89Å; K1040-Y1054 HydrophobicContact CB-CD1 4.28Å
1041	D	91.5	Very high	90.9	Very high	82 Å²	82	67.8 Å²	67.8	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-69.5	-44.5	-178.2	-71.6	-39.5	0	0	0	111.2	N1037 L1043 L1044 E1045	N1037-D1041 PolarHBondContact O-N 3.38Å; D1041-L1043 VanDerWaalsContact C-N 3.34Å; D1041-L1043 PolarHBondContact O-N 3.19Å; D1041-L1044 PolarHBondContact O-N 3.45Å; D1041-E1045 PolarHBondContact O-N 3.32Å
1042	K	92.7	Very high	91.3	Very high	24 Å²	24	66.5 Å²	66.5	10%	0.104	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-37.2	176.7	-157.3	73.2	-168.6	163.3	0	113	L1038 L1044 E1045 A1083 E1086 L1087 E1090	L1038-K1042 WeakPolarHBondContact O-CB 3.46Å; L1038-K1042 PolarHBondContact O-N 3.11Å; K1042-L1044 VanDerWaalsContact C-N 3.29Å; K1042-L1044 PolarHBondContact O-N 2.88Å; K1042-E1045 WeakPolarHBondContact CD-OE2 3.16Å; K1042-E1045 VanDerWaalsContact CE-OE2 3.28Å; K1042-E1045 WeakPolarHBondContact CE-OE2 3.5Å; K1042-E1045 IonicContact NZ-OE2 3.63Å; K1042-E1045 PolarHBondContact NZ-OE2 2.72Å; K1042-E1045 PolarHBondContact O-N 2.94Å; K1042-A1083 HydrophobicContact CB-CB 4.43Å; K1042-A1083 HydrophobicContact CG-CB 4.24Å; K1042-E1086 WeakPolarHBondContact CE-OE2 3.22Å; K1042-E1086 IonicContact NZ-OE2 2.98Å; K1042-L1087 HydrophobicContact CB-CD1 3.88Å; K1042-L1087 HydrophobicContact CG-CD1 4.22Å; K1042-L1087 HydrophobicContact CG-CG 4.45Å; K1042-E1090 IonicContact NZ-OE1 3.13Å; K1042-E1090 PolarHBondContact NZ-OE1 3.17Å; K1042-E1090 IonicContact NZ-OE2 3.74Å
1043	L	94.5	Very high	91.8	Very high	2 Å²	2	65 Å²	65	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-66.5	-28.3	173.8	-78.2	167	0	0	0	113.4	L1039 D1041 E1045 V1049 A1052 L1066 V1068 A1079 V1080 A1083	L1039-L1043 HydrophobicContact CD2-CD1 4.47Å; L1039-L1043 WeakPolarHBondContact O-CB 3.26Å; L1039-L1043 WeakPolarHBondContact O-CD1 3.25Å; L1039-L1043 WeakPolarHBondContact O-CG 3.46Å; L1039-L1043 PolarHBondContact O-N 3.37Å; D1041-L1043 VanDerWaalsContact C-N 3.34Å; D1041-L1043 PolarHBondContact O-N 3.19Å; L1043-E1045 VanDerWaalsContact C-N 3.33Å; L1043-V1049 HydrophobicContact CD2-CG2 4.29Å; L1043-V1049 VanDerWaalsContact O-CB 3.24Å; L1043-V1049 WeakPolarHBondContact O-CB 3.4Å; L1043-V1049 VanDerWaalsContact O-CG2 3.3Å; L1043-V1049 WeakPolarHBondContact O-CG2 3.5Å; L1043-A1052 HydrophobicContact CB-CB 3.7Å; L1043-A1052 HydrophobicContact CD1-CB 4.08Å; L1043-L1066 HydrophobicContact CD1-CD1 4.46Å; L1043-L1066 HydrophobicContact CD1-CD2 4.08Å; L1043-V1068 HydrophobicContact CD1-CG2 3.76Å; L1043-V1068 HydrophobicContact CD2-CG1 4.45Å; L1043-A1079 HydrophobicContact CD2-CB 3.94Å; L1043-V1080 HydrophobicContact CD1-CG2 4.24Å; L1043-V1080 HydrophobicContact CD2-CG2 4.3Å; L1043-A1083 HydrophobicContact CD2-CB 3.89Å; L1043-A1083 HydrophobicContact CG-CB 4.06Å
1044	L	92.9	Very high	92.1	Very high	91 Å²	91	63 Å²	63	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-80.8	-11.6	179.7	-71.7	167.4	0	0	0	113.3	K1040 D1041 K1042 A1052	K1040-L1044 HydrophobicContact CD-CD1 4.32Å; K1040-L1044 HydrophobicContact CG-CD1 4.2Å; K1040-L1044 WeakPolarHBondContact O-CD1 2.87Å; K1040-L1044 VanDerWaalsContact O-CG 3.23Å; K1040-L1044 WeakPolarHBondContact O-CG 3.37Å; K1040-L1044 PolarHBondContact O-N 2.89Å; D1041-L1044 PolarHBondContact O-N 3.45Å; K1042-L1044 VanDerWaalsContact C-N 3.29Å; K1042-L1044 PolarHBondContact O-N 2.88Å; L1044-A1052 HydrophobicContact CD2-CB 4.37Å; L1044-A1052 HydrophobicContact CG-CB 4.32Å
1045	E	92.5	Very high	92.4	Very high	128 Å²	128	64.8 Å²	64.8	60%	0.598	30%	0.304	S	S	*	.	H	α-helix	trans	-71.9	-32.1	171.5	-61.5	-169.3	141.8	0	0	112.2	D1041 K1042 L1043 R1047	D1041-E1045 PolarHBondContact O-N 3.32Å; K1042-E1045 WeakPolarHBondContact CD-OE2 3.16Å; K1042-E1045 VanDerWaalsContact CE-OE2 3.28Å; K1042-E1045 WeakPolarHBondContact CE-OE2 3.5Å; K1042-E1045 IonicContact NZ-OE2 3.63Å; K1042-E1045 PolarHBondContact NZ-OE2 2.72Å; K1042-E1045 PolarHBondContact O-N 2.94Å; L1043-E1045 VanDerWaalsContact C-N 3.33Å; E1045-R1047 PolarHBondContact O-N 2.58Å
1046	D	92	Very high	92.3	Very high	37 Å²	37	64.3 Å²	64.3	20%	0.198	30%	0.301	C	S	.	.	S	Bend	trans	-77.8	111.3	176.7	-174.9	-3.8	0	0	0	111.4	R1048 V1049 Y1074	D1046-R1048 VanDerWaalsContact CG-NE 3.33Å; D1046-R1048 PolarHBondContact O-N 3.05Å; D1046-R1048 VanDerWaalsContact OD1-CB 3.28Å; D1046-R1048 WeakPolarHBondContact OD1-CB 3.21Å; D1046-R1048 WeakPolarHBondContact OD1-CG 3.41Å; D1046-R1048 IonicContact OD1-CZ 3.62Å; D1046-R1048 PolarHBondContact OD1-N 2.94Å; D1046-R1048 IonicContact OD1-NE 3.62Å; D1046-R1048 PolarHBondContact OD1-NE 3.34Å; D1046-R1048 IonicContact OD1-NH2 3.1Å; D1046-R1048 IonicContact OD2-CZ 2.75Å; D1046-R1048 IonicContact OD2-NE 2.8Å; D1046-R1048 PolarHBondContact OD2-NE 3.3Å; D1046-R1048 IonicContact OD2-NH2 2.62Å; D1046-R1048 PolarHBondContact OD2-NH2 2.85Å; D1046-V1049 HydrophobicContact CB-CG2 4.13Å; D1046-V1049 WeakPolarHBondContact O-CB 3.39Å; D1046-V1049 PolarHBondContact O-N 2.73Å; D1046-Y1074 WeakPolarHBondContact OD2-CE1 3.41Å
1047	R	92.2	Very high	91.9	Very high	240 Å²	240	66.4 Å²	66.4	91%	0.906	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-13	176.9	-62.8	-175.2	178.8	-169.2	-0.3	114.8	E1045 V1049	E1045-R1047 PolarHBondContact O-N 2.58Å; R1047-V1049 VanDerWaalsContact C-N 3.35Å
1048	R	94	Very high	91.1	Very high	96 Å²	96	67.3 Å²	67.3	36%	0.362	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-12	174	-57	169.7	-65.7	-179.5	8.5	112.5	D1046 T1070 T1071 Y1074 E1082	D1046-R1048 VanDerWaalsContact CG-NE 3.33Å; D1046-R1048 PolarHBondContact O-N 3.05Å; D1046-R1048 VanDerWaalsContact OD1-CB 3.28Å; D1046-R1048 WeakPolarHBondContact OD1-CB 3.21Å; D1046-R1048 WeakPolarHBondContact OD1-CG 3.41Å; D1046-R1048 IonicContact OD1-CZ 3.62Å; D1046-R1048 PolarHBondContact OD1-N 2.94Å; D1046-R1048 IonicContact OD1-NE 3.62Å; D1046-R1048 PolarHBondContact OD1-NE 3.34Å; D1046-R1048 IonicContact OD1-NH2 3.1Å; D1046-R1048 IonicContact OD2-CZ 2.75Å; D1046-R1048 IonicContact OD2-NE 2.8Å; D1046-R1048 PolarHBondContact OD2-NE 3.3Å; D1046-R1048 IonicContact OD2-NH2 2.62Å; D1046-R1048 PolarHBondContact OD2-NH2 2.85Å; R1048-T1070 CarbonylContact O-C 3.48Å; R1048-T1070 WeakPolarHBondContact O-CA 3.44Å; R1048-T1070 WeakPolarHBondContact O-CB 2.97Å; R1048-T1071 PolarHBondContact O-N 3.14Å; R1048-Y1074 HydrophobicContact CB-CD1 3.48Å; R1048-Y1074 VanDerWaalsContact CB-CD1 3.48Å; R1048-Y1074 HydrophobicContact CB-CE1 4.09Å; R1048-Y1074 HydrophobicContact CB-CG 3.96Å; R1048-Y1074 HydrophobicContact CG-CD1 4.4Å; R1048-Y1074 VanDerWaalsContact CZ-CE2 3.44Å; R1048-Y1074 VanDerWaalsContact CZ-CZ 3.42Å; R1048-Y1074 PolarHBondContact NH2-OH 2.87Å; R1048-Y1074 VanDerWaalsContact NH2-OH 3.08Å; R1048-E1082 IonicContact CZ-OE2 3.55Å; R1048-E1082 IonicContact NH1-OE2 3.48Å; R1048-E1082 IonicContact NH2-OE2 2.74Å; R1048-E1082 PolarHBondContact NH2-OE2 3.29Å; R1048-E1082 VanDerWaalsContact NH2-OE2 3.1Å
1049	V	94.3	Very high	90.2	Very high	14 Å²	14	68.5 Å²	68.5	9%	0.085	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.8	172.2	179.1	0	0	0	0	108.6	L1043 D1046 R1047 A1052 V1068 T1070 A1079	L1043-V1049 HydrophobicContact CD2-CG2 4.29Å; L1043-V1049 VanDerWaalsContact O-CB 3.24Å; L1043-V1049 WeakPolarHBondContact O-CB 3.4Å; L1043-V1049 VanDerWaalsContact O-CG2 3.3Å; L1043-V1049 WeakPolarHBondContact O-CG2 3.5Å; D1046-V1049 HydrophobicContact CB-CG2 4.13Å; D1046-V1049 WeakPolarHBondContact O-CB 3.39Å; D1046-V1049 PolarHBondContact O-N 2.73Å; R1047-V1049 VanDerWaalsContact C-N 3.35Å; V1049-A1052 HydrophobicContact CG1-CB 4.11Å; V1049-V1068 HydrophobicContact CG1-CG1 4.24Å; V1049-T1070 HydrophobicContact CG2-CG2 4.06Å; V1049-A1079 HydrophobicContact CG2-CB 3.98Å
1050	L	92.4	Very high	89.1	Confident	104 Å²	104	75.4 Å²	75.4	55%	0.545	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-28.8	178.9	-64.9	174.5	0	0	0	112.1	Q1069 T1071	L1050-Q1069 HydrophobicContact CB-CG 4.45Å; L1050-Q1069 PolarHBondContact N-O 3.2Å; L1050-T1071 HydrophobicContact CD2-CG2 4.14Å; L1050-T1071 HydrophobicContact CG-CG2 4.24Å
1051	F	94.3	Very high	88.1	Confident	93 Å²	93	78.1 Å²	78.1	41%	0.408	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	134.1	177.5	178.2	-92	0	0	0	110.3	R1067 V1068 Q1069	F1051-R1067 HydrophobicContact CE1-CB 4.37Å; F1051-R1067 HydrophobicContact CE1-CG 4.43Å; F1051-V1068 CarbonylContact O-C 3.59Å; F1051-V1068 WeakPolarHBondContact O-CA 3.23Å; F1051-Q1069 HydrophobicContact CB-CB 4.14Å; F1051-Q1069 PolarHBondContact N-O 3.02Å; F1051-Q1069 PolarHBondContact O-N 3.48Å
1052	A	93.8	Very high	87.5	Confident	7 Å²	7	77.2 Å²	77.2	6%	0.058	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.6	163.5	0	0	0	0	0	109.1	L1043 L1044 V1049 R1067	L1043-A1052 HydrophobicContact CB-CB 3.7Å; L1043-A1052 HydrophobicContact CD1-CB 4.08Å; L1044-A1052 HydrophobicContact CD2-CB 4.37Å; L1044-A1052 HydrophobicContact CG-CB 4.32Å; V1049-A1052 HydrophobicContact CG1-CB 4.11Å; A1052-R1067 WeakPolarHBondContact CA-O 3.42Å
1053	G	93.6	Very high	87.1	Confident	18 Å²	18	78.8 Å²	78.8	19%	0.186	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	142.1	179.3	0	0	0	0	0	110.8	R1067	G1053-R1067 PolarHBondContact N-O 3.21Å; G1053-R1067 PolarHBondContact O-N 3.47Å
1054	Y	93.5	Very high	87	Confident	51 Å²	51	78.8 Å²	78.8	20%	0.2	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	161.5	178.4	79.8	-85.8	0	0	0	112.2	H1033 G1036 N1037 K1040 I1064 Y1065	H1033-Y1054 AromaticContact ND1-CE2 3.45Å; H1033-Y1054 WeakPolarHBondContact ND1-CE2 3.28Å; H1033-Y1054 AromaticContact ND1-CZ 3.65Å; H1033-Y1054 PolarHBondContact ND1-OH 3.45Å; H1033-Y1054 PolarHBondContact O-OH 2.83Å; G1036-Y1054 VanDerWaalsContact C-CD1 3.42Å; G1036-Y1054 WeakPolarHBondContact O-CD1 3.32Å; G1036-Y1054 WeakPolarHBondContact O-CE1 3.18Å; N1037-Y1054 VanDerWaalsContact OD1-CE1 3.25Å; N1037-Y1054 WeakPolarHBondContact OD1-CE1 3.43Å; N1037-Y1054 PolarHBondContact OD1-OH 3.13Å; K1040-Y1054 HydrophobicContact CB-CD1 4.28Å; Y1054-I1064 HydrophobicContact CD2-CG2 3.7Å; Y1054-I1064 HydrophobicContact CG-CG2 4Å; Y1054-Y1065 CarbonylContact C-O 3.46Å; Y1054-Y1065 WeakPolarHBondContact CA-O 3.48Å
1055	K	91.3	Very high	87	Confident	124 Å²	124	78 Å²	78	54%	0.539	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.7	157.2	81.3	167.8	-165.3	163.4	0	110.9	Y1065	K1055-Y1065 PolarHBondContact N-O 3.15Å; K1055-Y1065 PolarHBondContact O-N 3.12Å
1056	Q	84.8	Confident	87.1	Confident	33 Å²	33	72 Å²	72	15%	0.154	34%	0.341	C	S	.	.			trans	-92.3	129	156.8	-163.7	170.6	-17.8	0	0	107.1	H1033 H1058 P1059 E1061	H1033-Q1056 PolarHBondContact CD2-OE1 2.99Å; H1033-Q1056 PolarHBondContact NE2-OE1 2.86Å; Q1056-H1058 PolarHBondContact NE2-O 3.4Å; Q1056-P1059 PolarHBondContact NE2-O 3.01Å; Q1056-E1061 WeakPolarHBondContact CG-O 3.44Å; Q1056-E1061 PolarHBondContact NE2-O 3.03Å
1057	P	80.8	Confident	87.3	Confident	45 Å²	45	74.4 Å²	74.4	29%	0.292	35%	0.347	S	S	.	.	S	Bend	trans	-76	-27.7	-173.9	30.4	-33.2	0	0	0	112.6	K1063 Y1065	P1057-K1063 WeakPolarHBondContact CD-O 3Å; P1057-Y1065 HydrophobicContact CG-CD1 4.28Å; P1057-Y1065 HydrophobicContact CG-CE1 4.03Å
1058	H	76.1	Confident	87.4	Confident	94 Å²	94	63 Å²	63	44%	0.435	30%	0.304	S	S	.	.	S	Bend	trans	-150.3	135.5	177.6	-167.7	-95.3	0	0	0	109.4	Q1056 L1060 E1061	Q1056-H1058 PolarHBondContact NE2-O 3.4Å; H1058-L1060 PolarHBondContact ND1-N 3Å; H1058-L1060 PolarHBondContact O-N 3.25Å; H1058-E1061 HydrophobicContact CB-CB 4.25Å; H1058-E1061 HydrophobicContact CB-CG 4.21Å; H1058-E1061 PolarHBondContact O-N 2.71Å
1059	P	71.5	Confident	87.5	Confident	106 Å²	106	60.7 Å²	60.7	69%	0.688	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.9	-174.7	24.6	-34.3	0	0	0	113.9	Q1056	Q1056-P1059 PolarHBondContact NE2-O 3.01Å
1060	L	68.7	Low	87.6	Confident	147 Å²	147	60.1 Å²	60.1	77%	0.77	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.3	174.8	-56.2	177.9	0	0	0	114.2	H1058	H1058-L1060 PolarHBondContact ND1-N 3Å; H1058-L1060 PolarHBondContact O-N 3.25Å
1061	E	72.7	Confident	87.6	Confident	105 Å²	105	56.5 Å²	56.5	49%	0.491	28%	0.277	S	S	.	.	S	Bend	trans	-104.4	114.4	172.6	-72.4	-168.2	155.3	0	0	110	Q1056 H1058 K1063	Q1056-E1061 WeakPolarHBondContact CG-O 3.44Å; Q1056-E1061 PolarHBondContact NE2-O 3.03Å; H1058-E1061 HydrophobicContact CB-CB 4.25Å; H1058-E1061 HydrophobicContact CB-CG 4.21Å; H1058-E1061 PolarHBondContact O-N 2.71Å; E1061-K1063 HydrophobicContact CB-CB 4.48Å; E1061-K1063 PolarHBondContact O-N 3.43Å
1062	H	78.4	Confident	87.4	Confident	62 Å²	62	57.8 Å²	57.8	29%	0.287	29%	0.294	S	S	.	.			trans	-69.8	78.5	171.3	-63.3	-99.3	0	0	0	109.9	K1030 E1031	K1030-H1062 VanDerWaalsContact CA-O 3.25Å; K1030-H1062 WeakPolarHBondContact CA-O 3.38Å; K1030-H1062 PolarHBondContact N-O 3.2Å; E1031-H1062 PolarHBondContact N-O 3.27Å; E1031-H1062 CarbonylContact O-C 3.54Å; E1031-H1062 WeakPolarHBondContact O-CA 3.5Å
1063	K	85.9	Confident	87.3	Confident	58 Å²	58	64 Å²	64	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	116.8	-174.5	-166.3	173	-174.5	128.2	0	111.4	I1027 I1028 N1029 E1031 P1057 E1061 Y1065	I1027-K1063 HydrophobicContact CG2-CD 4.43Å; I1027-K1063 VanDerWaalsContact CG2-CE 3.44Å; I1027-K1063 HydrophobicContact CG2-CG 4.21Å; I1028-K1063 CarbonylContact O-C 3.59Å; I1028-K1063 WeakPolarHBondContact O-CA 3.34Å; N1029-K1063 WeakPolarHBondContact OD1-CE 3.43Å; N1029-K1063 PolarHBondContact OD1-NZ 3.17Å; E1031-K1063 PolarHBondContact O-N 2.74Å; P1057-K1063 WeakPolarHBondContact CD-O 3Å; E1061-K1063 HydrophobicContact CB-CB 4.48Å; E1061-K1063 PolarHBondContact O-N 3.43Å; K1063-Y1065 HydrophobicContact CD-CE1 4Å; K1063-Y1065 HydrophobicContact CG-CD1 4.39Å; K1063-Y1065 HydrophobicContact CG-CE1 3.97Å
1064	I	90.9	Very high	87.3	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.6	-178.3	-45.5	171.8	0	0	0	110.1	I1027 I1028 E1031 D1032 L1035 Y1054	I1027-I1064 WeakPolarHBondContact CA-O 3.15Å; I1028-I1064 HydrophobicContact CB-CB 4.25Å; I1028-I1064 PolarHBondContact N-O 2.65Å; I1028-I1064 PolarHBondContact O-N 3.15Å; E1031-I1064 HydrophobicContact CB-CD1 3.49Å; E1031-I1064 VanDerWaalsContact CB-CD1 3.49Å; E1031-I1064 HydrophobicContact CB-CG1 3.91Å; D1032-I1064 WeakPolarHBondContact O-CD1 3.34Å; L1035-I1064 HydrophobicContact CB-CD1 4.06Å; L1035-I1064 HydrophobicContact CD2-CD1 4.25Å; L1035-I1064 HydrophobicContact CG-CD1 4.42Å; Y1054-I1064 HydrophobicContact CD2-CG2 3.7Å; Y1054-I1064 HydrophobicContact CG-CG2 4Å
1065	Y	94.1	Very high	87.3	Confident	75 Å²	75	65.3 Å²	65.3	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	91.6	170.5	-80.2	47.3	0	0	0	107.9	L1025 I1027 Y1054 K1055 P1057 K1063	L1025-Y1065 HydrophobicContact CD1-CD2 4.38Å; L1025-Y1065 HydrophobicContact CD2-CD2 4.19Å; I1027-Y1065 HydrophobicContact CD1-CE2 4.44Å; I1027-Y1065 HydrophobicContact CG1-CE1 4.46Å; I1027-Y1065 HydrophobicContact CG1-CE2 4.47Å; I1027-Y1065 HydrophobicContact CG2-CD1 4.34Å; I1027-Y1065 HydrophobicContact CG2-CE1 3.99Å; Y1054-Y1065 CarbonylContact C-O 3.46Å; Y1054-Y1065 WeakPolarHBondContact CA-O 3.48Å; K1055-Y1065 PolarHBondContact N-O 3.15Å; K1055-Y1065 PolarHBondContact O-N 3.12Å; P1057-Y1065 HydrophobicContact CG-CD1 4.28Å; P1057-Y1065 HydrophobicContact CG-CE1 4.03Å; K1063-Y1065 HydrophobicContact CD-CE1 4Å; K1063-Y1065 HydrophobicContact CG-CD1 4.39Å; K1063-Y1065 HydrophobicContact CG-CE1 3.97Å
1066	L	95	Very high	87.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.3	179	176.4	70.7	0	0	0	110	F1026 L1039 L1043 V1068	F1026-L1066 HydrophobicContact CB-CB 4.31Å; F1026-L1066 PolarHBondContact N-O 3.39Å; F1026-L1066 PolarHBondContact O-N 2.9Å; L1039-L1066 HydrophobicContact CB-CD2 4.2Å; L1039-L1066 HydrophobicContact CD1-CD2 4.02Å; L1043-L1066 HydrophobicContact CD1-CD1 4.46Å; L1043-L1066 HydrophobicContact CD1-CD2 4.08Å; L1066-V1068 HydrophobicContact CD1-CG2 4.45Å; L1066-V1068 HydrophobicContact CD2-CG2 4.17Å; L1066-V1068 HydrophobicContact CG-CG2 3.94Å
1067	R	94.8	Very high	87.8	Confident	88 Å²	88	60.4 Å²	60.4	33%	0.332	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.8	178.3	-172.7	-177.7	-175.8	-154.9	2.1	109.5	E1017 L1025 F1051 A1052 G1053	E1017-R1067 VanDerWaalsContact CD-NE 3.27Å; E1017-R1067 VanDerWaalsContact CD-NH2 3.28Å; E1017-R1067 IonicContact OE1-CZ 3.3Å; E1017-R1067 VanDerWaalsContact OE1-CZ 3.3Å; E1017-R1067 IonicContact OE1-NE 2.98Å; E1017-R1067 PolarHBondContact OE1-NE 2.7Å; E1017-R1067 IonicContact OE1-NH2 2.75Å; E1017-R1067 PolarHBondContact OE1-NH2 3.08Å; E1017-R1067 IonicContact OE2-CZ 3.61Å; E1017-R1067 IonicContact OE2-NE 3.44Å; E1017-R1067 PolarHBondContact OE2-NE 3.1Å; E1017-R1067 IonicContact OE2-NH2 3.98Å; E1017-R1067 PolarHBondContact OE2-NH2 2.91Å; L1025-R1067 HydrophobicContact CD1-CB 4.33Å; F1051-R1067 HydrophobicContact CE1-CB 4.37Å; F1051-R1067 HydrophobicContact CE1-CG 4.43Å; A1052-R1067 WeakPolarHBondContact CA-O 3.42Å; G1053-R1067 PolarHBondContact N-O 3.21Å; G1053-R1067 PolarHBondContact O-N 3.47Å
1068	V	95.5	Very high	88.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.5	-177.1	-171.6	0	0	0	0	110.1	A1023 Y1024 F1026 L1043 V1049 F1051 L1066 T1070 P1076 V1080	A1023-V1068 WeakPolarHBondContact CA-O 3.11Å; Y1024-V1068 PolarHBondContact N-O 2.56Å; Y1024-V1068 PolarHBondContact O-N 2.92Å; F1026-V1068 HydrophobicContact CD2-CG2 4.11Å; F1026-V1068 HydrophobicContact CE2-CB 4.14Å; F1026-V1068 HydrophobicContact CE2-CG2 4.06Å; L1043-V1068 HydrophobicContact CD1-CG2 3.76Å; L1043-V1068 HydrophobicContact CD2-CG1 4.45Å; V1049-V1068 HydrophobicContact CG1-CG1 4.24Å; F1051-V1068 CarbonylContact O-C 3.59Å; F1051-V1068 WeakPolarHBondContact O-CA 3.23Å; L1066-V1068 HydrophobicContact CD1-CG2 4.45Å; L1066-V1068 HydrophobicContact CD2-CG2 4.17Å; L1066-V1068 HydrophobicContact CG-CG2 3.94Å; V1068-T1070 HydrophobicContact CG1-CG2 4.46Å; V1068-P1076 HydrophobicContact CB-CB 4.49Å; V1068-P1076 HydrophobicContact CG1-CB 4.41Å; V1068-V1080 HydrophobicContact CG2-CG2 3.85Å
1069	Q	95.1	Very high	89.2	Confident	48 Å²	48	61.3 Å²	61.3	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.6	173.4	-173	-175.9	-3	0	0	109.5	V1020 P1021 N1022 A1023 L1050 F1051	V1020-Q1069 HydrophobicContact CG1-CG 4.36Å; P1021-Q1069 PolarHBondContact O-NE2 3.2Å; N1022-Q1069 WeakPolarHBondContact O-CA 3.35Å; A1023-Q1069 HydrophobicContact CB-CB 4.14Å; A1023-Q1069 HydrophobicContact CB-CG 4.15Å; L1050-Q1069 HydrophobicContact CB-CG 4.45Å; L1050-Q1069 PolarHBondContact N-O 3.2Å; F1051-Q1069 HydrophobicContact CB-CB 4.14Å; F1051-Q1069 PolarHBondContact N-O 3.02Å; F1051-Q1069 PolarHBondContact O-N 3.48Å
1070	T	96	Very high	90.3	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	170	-178.8	51.4	0	0	0	0	112	N1022 R1048 V1049 V1068 Y1074 P1076 A1079	N1022-T1070 PolarHBondContact O-N 3.22Å; R1048-T1070 CarbonylContact O-C 3.48Å; R1048-T1070 WeakPolarHBondContact O-CA 3.44Å; R1048-T1070 WeakPolarHBondContact O-CB 2.97Å; V1049-T1070 HydrophobicContact CG2-CG2 4.06Å; V1068-T1070 HydrophobicContact CG1-CG2 4.46Å; T1070-Y1074 WeakPolarHBondContact CB-O 3.46Å; T1070-Y1074 HydrophobicContact CG2-CD1 3.83Å; T1070-Y1074 HydrophobicContact CG2-CE1 4.4Å; T1070-Y1074 PolarHBondContact OG1-O 2.84Å; T1070-P1076 HydrophobicContact CG2-CB 4.46Å; T1070-P1076 HydrophobicContact CG2-CG 4.29Å; T1070-P1076 VanDerWaalsContact OG1-CD 3.26Å; T1070-P1076 WeakPolarHBondContact OG1-CD 3.33Å; T1070-P1076 VanDerWaalsContact OG1-CG 3.31Å; T1070-P1076 WeakPolarHBondContact OG1-CG 3.21Å; T1070-A1079 HydrophobicContact CG2-CB 3.93Å
1071	T	94	Very high	91.4	Very high	29 Å²	29	57 Å²	57	18%	0.178	27%	0.271	C	S	.	.			trans	-60.1	157.5	169.1	60.7	0	0	0	0	111.5	N1022 R1048 L1050 D1073 Y1074	N1022-T1071 PolarHBondContact ND2-O 3.28Å; R1048-T1071 PolarHBondContact O-N 3.14Å; L1050-T1071 HydrophobicContact CD2-CG2 4.14Å; L1050-T1071 HydrophobicContact CG-CG2 4.24Å; T1071-D1073 WeakPolarHBondContact CB-OD1 3.28Å; T1071-D1073 PolarHBondContact O-N 3.42Å; T1071-D1073 VanDerWaalsContact O-N 3.15Å; T1071-D1073 PolarHBondContact OG1-OD1 3.16Å; T1071-Y1074 PolarHBondContact O-N 3.07Å; T1071-Y1074 VanDerWaalsContact O-N 3.15Å
1072	P	89.3	Confident	92.4	Very high	120 Å²	120	54.9 Å²	54.9	78%	0.779	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.3	-173.2	-25.5	35.8	0	0	0	114.9	N1022	N1022-P1072 WeakPolarHBondContact ND2-CA 3.2Å; N1022-P1072 PolarHBondContact ND2-O 2.83Å
1073	D	92.3	Very high	93.1	Very high	136 Å²	136	52.2 Å²	52.2	73%	0.727	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.1	-178	58.9	-49.6	0	0	0	114.2	T1071	T1071-D1073 WeakPolarHBondContact CB-OD1 3.28Å; T1071-D1073 PolarHBondContact O-N 3.42Å; T1071-D1073 VanDerWaalsContact O-N 3.15Å; T1071-D1073 PolarHBondContact OG1-OD1 3.16Å
1074	Y	92.4	Very high	93.3	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.051	25%	0.254	C	S	.	.	S	Bend	trans	-121	131.3	-178.5	-169.1	-124.5	0	0	0	110.6	N1022 D1046 R1048 T1070 T1071 R1078 A1079 E1082	N1022-Y1074 PolarHBondContact ND2-O 3.44Å; D1046-Y1074 WeakPolarHBondContact OD2-CE1 3.41Å; R1048-Y1074 HydrophobicContact CB-CD1 3.48Å; R1048-Y1074 VanDerWaalsContact CB-CD1 3.48Å; R1048-Y1074 HydrophobicContact CB-CE1 4.09Å; R1048-Y1074 HydrophobicContact CB-CG 3.96Å; R1048-Y1074 HydrophobicContact CG-CD1 4.4Å; R1048-Y1074 VanDerWaalsContact CZ-CE2 3.44Å; R1048-Y1074 VanDerWaalsContact CZ-CZ 3.42Å; R1048-Y1074 PolarHBondContact NH2-OH 2.87Å; R1048-Y1074 VanDerWaalsContact NH2-OH 3.08Å; T1070-Y1074 WeakPolarHBondContact CB-O 3.46Å; T1070-Y1074 HydrophobicContact CG2-CD1 3.83Å; T1070-Y1074 HydrophobicContact CG2-CE1 4.4Å; T1070-Y1074 PolarHBondContact OG1-O 2.84Å; T1071-Y1074 PolarHBondContact O-N 3.07Å; T1071-Y1074 VanDerWaalsContact O-N 3.15Å; Y1074-R1078 HydrophobicContact CE2-CB 4.33Å; Y1074-R1078 HydrophobicContact CE2-CG 4.05Å; Y1074-A1079 HydrophobicContact CD1-CB 4.24Å; Y1074-A1079 HydrophobicContact CE1-CB 3.46Å; Y1074-A1079 VanDerWaalsContact CE1-CB 3.46Å; Y1074-A1079 VanDerWaalsContact OH-CA 3.3Å; Y1074-A1079 WeakPolarHBondContact OH-CA 3.3Å; Y1074-A1079 PolarHBondContact OH-N 2.67Å; Y1074-E1082 VanDerWaalsContact OH-CD 3.31Å; Y1074-E1082 PolarHBondContact OH-OE2 3.37Å
1075	H	93.7	Very high	93.4	Very high	84 Å²	84	57 Å²	57	39%	0.389	28%	0.281	S	S	.	.			trans	-92	131	-171.6	-167.4	-88.9	0	0	0	111.5	V1077 R1078 A1079	H1075-V1077 VanDerWaalsContact C-N 3.31Å; H1075-V1077 PolarHBondContact ND1-N 3.36Å; H1075-V1077 PolarHBondContact O-N 3.41Å; H1075-V1077 VanDerWaalsContact O-N 3.16Å; H1075-R1078 HydrophobicContact CB-CB 4.42Å; H1075-R1078 WeakPolarHBondContact O-CA 3.4Å; H1075-R1078 VanDerWaalsContact O-CB 3.26Å; H1075-R1078 WeakPolarHBondContact O-CB 3.26Å; H1075-R1078 PolarHBondContact O-N 2.99Å; H1075-A1079 PolarHBondContact O-N 3.39Å
1076	P	93.9	Very high	93.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-37.7	-174.4	-29.9	36.9	0	0	0	115.1	N1022 Y1024 F1026 V1068 T1070 R1078 A1079 V1080	N1022-P1076 WeakPolarHBondContact O-CG 3.4Å; Y1024-P1076 HydrophobicContact CD2-CB 4.11Å; Y1024-P1076 HydrophobicContact CD2-CG 3.78Å; Y1024-P1076 HydrophobicContact CG-CB 4.28Å; Y1024-P1076 HydrophobicContact CG-CG 4.43Å; F1026-P1076 HydrophobicContact CE2-CB 4.46Å; F1026-P1076 HydrophobicContact CZ-CB 4.49Å; V1068-P1076 HydrophobicContact CB-CB 4.49Å; V1068-P1076 HydrophobicContact CG1-CB 4.41Å; T1070-P1076 HydrophobicContact CG2-CB 4.46Å; T1070-P1076 HydrophobicContact CG2-CG 4.29Å; T1070-P1076 VanDerWaalsContact OG1-CD 3.26Å; T1070-P1076 WeakPolarHBondContact OG1-CD 3.33Å; T1070-P1076 VanDerWaalsContact OG1-CG 3.31Å; T1070-P1076 WeakPolarHBondContact OG1-CG 3.21Å; P1076-R1078 PolarHBondContact O-N 2.92Å; P1076-A1079 WeakPolarHBondContact O-CB 3.31Å; P1076-A1079 PolarHBondContact O-N 3.44Å; P1076-V1080 PolarHBondContact O-N 3.04Å; P1076-V1080 VanDerWaalsContact O-N 3.07Å
1077	V	93.1	Very high	93	Very high	55 Å²	55	59 Å²	59	33%	0.333	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-28.5	175.9	-179.2	0	0	0	0	111.9	V1014 Y1024 F1026 H1075 K1081	V1014-V1077 HydrophobicContact CG1-CG2 4.15Å; Y1024-V1077 HydrophobicContact CD1-CG2 4.35Å; Y1024-V1077 HydrophobicContact CE1-CG2 4.47Å; F1026-V1077 HydrophobicContact CE1-CG2 4.02Å; F1026-V1077 HydrophobicContact CZ-CB 4.41Å; F1026-V1077 HydrophobicContact CZ-CG2 3.87Å; H1075-V1077 VanDerWaalsContact C-N 3.31Å; H1075-V1077 PolarHBondContact ND1-N 3.36Å; H1075-V1077 PolarHBondContact O-N 3.41Å; H1075-V1077 VanDerWaalsContact O-N 3.16Å; V1077-K1081 WeakPolarHBondContact O-CB 3.41Å; V1077-K1081 PolarHBondContact O-N 3.37Å
1078	R	93.2	Very high	92.8	Very high	155 Å²	155	59.3 Å²	59.3	59%	0.585	30%	0.301	S	S	*	.	H	α-helix	trans	-76	-41.2	175.6	-168.5	174.7	-177.3	153.3	5.9	111.2	Y1074 H1075 P1076 K1081 E1082	Y1074-R1078 HydrophobicContact CE2-CB 4.33Å; Y1074-R1078 HydrophobicContact CE2-CG 4.05Å; H1075-R1078 HydrophobicContact CB-CB 4.42Å; H1075-R1078 WeakPolarHBondContact O-CA 3.4Å; H1075-R1078 VanDerWaalsContact O-CB 3.26Å; H1075-R1078 WeakPolarHBondContact O-CB 3.26Å; H1075-R1078 PolarHBondContact O-N 2.99Å; P1076-R1078 PolarHBondContact O-N 2.92Å; R1078-K1081 PolarHBondContact O-N 3.29Å; R1078-K1081 VanDerWaalsContact O-N 3.14Å; R1078-E1082 WeakPolarHBondContact CG-OE1 3.38Å; R1078-E1082 IonicContact CZ-OE1 2.74Å; R1078-E1082 IonicContact NE-OE1 3.69Å; R1078-E1082 PolarHBondContact NE-OE1 3.24Å; R1078-E1082 IonicContact NH2-OE1 2.63Å; R1078-E1082 PolarHBondContact O-N 3.29Å
1079	A	93.6	Very high	92.5	Very high	2 Å²	2	62.1 Å²	62.1	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-54.9	-52.2	173.3	0	0	0	0	0	112.2	L1043 V1049 T1070 Y1074 H1075 P1076 K1081 E1082 A1083	L1043-A1079 HydrophobicContact CD2-CB 3.94Å; V1049-A1079 HydrophobicContact CG2-CB 3.98Å; T1070-A1079 HydrophobicContact CG2-CB 3.93Å; Y1074-A1079 HydrophobicContact CD1-CB 4.24Å; Y1074-A1079 HydrophobicContact CE1-CB 3.46Å; Y1074-A1079 VanDerWaalsContact CE1-CB 3.46Å; Y1074-A1079 VanDerWaalsContact OH-CA 3.3Å; Y1074-A1079 WeakPolarHBondContact OH-CA 3.3Å; Y1074-A1079 PolarHBondContact OH-N 2.67Å; H1075-A1079 PolarHBondContact O-N 3.39Å; P1076-A1079 WeakPolarHBondContact O-CB 3.31Å; P1076-A1079 PolarHBondContact O-N 3.44Å; A1079-K1081 PolarHBondContact O-N 3.06Å; A1079-E1082 PolarHBondContact O-N 2.93Å; A1079-A1083 VanDerWaalsContact O-CB 3.31Å; A1079-A1083 WeakPolarHBondContact O-CB 3.28Å; A1079-A1083 PolarHBondContact O-N 3.02Å
1080	V	93.4	Very high	92.2	Very high	13 Å²	13	64.5 Å²	64.5	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-34.6	177.9	177.9	0	0	0	0	111.8	F1026 L1039 L1043 V1068 P1076 L1084	F1026-V1080 HydrophobicContact CD1-CG2 4.48Å; F1026-V1080 HydrophobicContact CD2-CG2 4.15Å; F1026-V1080 HydrophobicContact CE1-CB 4.33Å; F1026-V1080 HydrophobicContact CE1-CG2 4.1Å; F1026-V1080 HydrophobicContact CE2-CG2 3.75Å; F1026-V1080 HydrophobicContact CZ-CB 4.33Å; F1026-V1080 HydrophobicContact CZ-CG2 3.72Å; L1039-V1080 HydrophobicContact CD2-CG1 4.35Å; L1043-V1080 HydrophobicContact CD1-CG2 4.24Å; L1043-V1080 HydrophobicContact CD2-CG2 4.3Å; V1068-V1080 HydrophobicContact CG2-CG2 3.85Å; P1076-V1080 PolarHBondContact O-N 3.04Å; P1076-V1080 VanDerWaalsContact O-N 3.07Å; V1080-L1084 HydrophobicContact CG1-CD1 4.12Å; V1080-L1084 WeakPolarHBondContact O-CB 3.27Å; V1080-L1084 VanDerWaalsContact O-CG 3.27Å; V1080-L1084 WeakPolarHBondContact O-CG 3.4Å; V1080-L1084 PolarHBondContact O-N 3.32Å
1081	K	92.8	Very high	91.9	Very high	149 Å²	149	68.6 Å²	68.6	65%	0.648	36%	0.356	S	S	*	.	H	α-helix	trans	-76.7	-40	-179	-151.4	178.8	-171.1	-172.9	0	112.9	V1077 R1078 A1079 T1085	V1077-K1081 WeakPolarHBondContact O-CB 3.41Å; V1077-K1081 PolarHBondContact O-N 3.37Å; R1078-K1081 PolarHBondContact O-N 3.29Å; R1078-K1081 VanDerWaalsContact O-N 3.14Å; A1079-K1081 PolarHBondContact O-N 3.06Å; K1081-T1085 PolarHBondContact O-N 2.95Å; K1081-T1085 PolarHBondContact O-OG1 3.03Å
1082	E	92.6	Very high	91.5	Very high	61 Å²	61	71.3 Å²	71.3	29%	0.285	37%	0.37	S	S	.	.	H	α-helix	trans	-64.2	-49.4	173.1	-78.7	169.1	-160.4	0	0	109.5	R1048 Y1074 R1078 A1079 L1084 T1085 E1086	R1048-E1082 IonicContact CZ-OE2 3.55Å; R1048-E1082 IonicContact NH1-OE2 3.48Å; R1048-E1082 IonicContact NH2-OE2 2.74Å; R1048-E1082 PolarHBondContact NH2-OE2 3.29Å; R1048-E1082 VanDerWaalsContact NH2-OE2 3.1Å; Y1074-E1082 VanDerWaalsContact OH-CD 3.31Å; Y1074-E1082 PolarHBondContact OH-OE2 3.37Å; R1078-E1082 WeakPolarHBondContact CG-OE1 3.38Å; R1078-E1082 IonicContact CZ-OE1 2.74Å; R1078-E1082 IonicContact NE-OE1 3.69Å; R1078-E1082 PolarHBondContact NE-OE1 3.24Å; R1078-E1082 IonicContact NH2-OE1 2.63Å; R1078-E1082 PolarHBondContact O-N 3.29Å; A1079-E1082 PolarHBondContact O-N 2.93Å; E1082-L1084 PolarHBondContact O-N 3.47Å; E1082-T1085 WeakPolarHBondContact O-CB 3.43Å; E1082-T1085 PolarHBondContact O-N 3.03Å; E1082-E1086 PolarHBondContact O-N 3.46Å; E1082-E1086 VanDerWaalsContact O-N 3.11Å
1083	A	93.2	Very high	91.5	Very high	6 Å²	6	70.4 Å²	70.4	5%	0.05	36%	0.355	C	S	.	.	H	α-helix	trans	-56.3	-46.3	176	0	0	0	0	0	113.4	K1042 L1043 A1079 T1085 E1086 L1087	K1042-A1083 HydrophobicContact CB-CB 4.43Å; K1042-A1083 HydrophobicContact CG-CB 4.24Å; L1043-A1083 HydrophobicContact CD2-CB 3.89Å; L1043-A1083 HydrophobicContact CG-CB 4.06Å; A1079-A1083 VanDerWaalsContact O-CB 3.31Å; A1079-A1083 WeakPolarHBondContact O-CB 3.28Å; A1079-A1083 PolarHBondContact O-N 3.02Å; A1083-T1085 VanDerWaalsContact C-N 3.28Å; A1083-T1085 PolarHBondContact O-N 3.46Å; A1083-E1086 PolarHBondContact O-N 2.88Å; A1083-L1087 WeakPolarHBondContact O-CB 3.42Å; A1083-L1087 PolarHBondContact O-N 3.36Å
1084	L	91.5	Very high	91.1	Very high	65 Å²	65	69.7 Å²	69.7	34%	0.34	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-35	175.1	-80.1	169.5	0	0	0	113.2	L1039 V1080 E1082 I1088	L1039-L1084 HydrophobicContact CD1-CD2 4.34Å; L1039-L1084 HydrophobicContact CD2-CD2 4.01Å; L1039-L1084 HydrophobicContact CD2-CG 4.01Å; L1039-L1084 HydrophobicContact CG-CD2 4.34Å; V1080-L1084 HydrophobicContact CG1-CD1 4.12Å; V1080-L1084 WeakPolarHBondContact O-CB 3.27Å; V1080-L1084 VanDerWaalsContact O-CG 3.27Å; V1080-L1084 WeakPolarHBondContact O-CG 3.4Å; V1080-L1084 PolarHBondContact O-N 3.32Å; E1082-L1084 PolarHBondContact O-N 3.47Å; L1084-I1088 WeakPolarHBondContact O-CD1 3.49Å; L1084-I1088 VanDerWaalsContact O-CG1 3.25Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.4Å; L1084-I1088 PolarHBondContact O-N 3.01Å
1085	T	91.6	Very high	90.7	Very high	94 Å²	94	73.1 Å²	73.1	58%	0.577	37%	0.367	S	S	*	.	H	α-helix	trans	-72.7	-38.9	-177.1	-51.2	0	0	0	0	110.8	K1081 E1082 A1083 A1089	K1081-T1085 PolarHBondContact O-N 2.95Å; K1081-T1085 PolarHBondContact O-OG1 3.03Å; E1082-T1085 WeakPolarHBondContact O-CB 3.43Å; E1082-T1085 PolarHBondContact O-N 3.03Å; A1083-T1085 VanDerWaalsContact C-N 3.28Å; A1083-T1085 PolarHBondContact O-N 3.46Å; T1085-A1089 PolarHBondContact O-N 3.41Å
1086	E	90.8	Very high	90.3	Very high	106 Å²	106	75.2 Å²	75.2	50%	0.495	38%	0.377	S	S	.	.	H	α-helix	trans	-67	-43.1	172.4	-67	-179.1	168.4	0	0	111.7	K1042 E1082 A1083 I1088 A1089 E1090	K1042-E1086 WeakPolarHBondContact CE-OE2 3.22Å; K1042-E1086 IonicContact NZ-OE2 2.98Å; E1082-E1086 PolarHBondContact O-N 3.46Å; E1082-E1086 VanDerWaalsContact O-N 3.11Å; A1083-E1086 PolarHBondContact O-N 2.88Å; E1086-I1088 VanDerWaalsContact C-N 3.32Å; E1086-I1088 PolarHBondContact O-N 3.2Å; E1086-A1089 WeakPolarHBondContact O-CA 3.25Å; E1086-A1089 WeakPolarHBondContact O-CB 3.43Å; E1086-A1089 PolarHBondContact O-N 2.98Å; E1086-E1090 PolarHBondContact O-N 3.23Å
1087	L	91.3	Very high	89.9	Confident	12 Å²	12	79.5 Å²	79.5	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-59.2	-40.7	177.4	-119.4	153.8	0	0	0	112.8	L1038 K1042 A1083 A1089 E1090 I1091	L1038-L1087 HydrophobicContact CB-CD1 3.99Å; L1038-L1087 HydrophobicContact CB-CD2 4.02Å; L1038-L1087 HydrophobicContact CD1-CD2 4.14Å; L1038-L1087 HydrophobicContact CD2-CD2 4.19Å; L1038-L1087 HydrophobicContact CG-CD2 4.34Å; K1042-L1087 HydrophobicContact CB-CD1 3.88Å; K1042-L1087 HydrophobicContact CG-CD1 4.22Å; K1042-L1087 HydrophobicContact CG-CG 4.45Å; A1083-L1087 WeakPolarHBondContact O-CB 3.42Å; A1083-L1087 PolarHBondContact O-N 3.36Å; L1087-A1089 VanDerWaalsContact C-N 3.32Å; L1087-E1090 PolarHBondContact O-N 2.8Å; L1087-I1091 HydrophobicContact CD2-CD1 3.72Å; L1087-I1091 HydrophobicContact CD2-CG1 4.28Å; L1087-I1091 WeakPolarHBondContact O-CB 3.43Å; L1087-I1091 VanDerWaalsContact O-CG1 3.28Å; L1087-I1091 WeakPolarHBondContact O-CG1 3.46Å; L1087-I1091 PolarHBondContact O-N 2.99Å
1088	I	90.1	Very high	89.3	Confident	96 Å²	96	83 Å²	83	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-64.7	-37.5	174.6	-70.9	164.6	0	0	0	111	L1084 E1086 N1092	L1084-I1088 WeakPolarHBondContact O-CD1 3.49Å; L1084-I1088 VanDerWaalsContact O-CG1 3.25Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.4Å; L1084-I1088 PolarHBondContact O-N 3.01Å; E1086-I1088 VanDerWaalsContact C-N 3.32Å; E1086-I1088 PolarHBondContact O-N 3.2Å; I1088-N1092 WeakPolarHBondContact O-CB 3.5Å; I1088-N1092 PolarHBondContact O-N 3.42Å; I1088-N1092 PolarHBondContact O-ND2 3.41Å
1089	A	88.9	Confident	88.6	Confident	59 Å²	59	83.2 Å²	83.2	49%	0.488	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-43.2	176.7	0	0	0	0	0	112.1	T1085 E1086 L1087 N1092 Q1093	T1085-A1089 PolarHBondContact O-N 3.41Å; E1086-A1089 WeakPolarHBondContact O-CA 3.25Å; E1086-A1089 WeakPolarHBondContact O-CB 3.43Å; E1086-A1089 PolarHBondContact O-N 2.98Å; L1087-A1089 VanDerWaalsContact C-N 3.32Å; A1089-N1092 PolarHBondContact O-N 3.01Å; A1089-Q1093 PolarHBondContact O-N 2.99Å; A1089-Q1093 VanDerWaalsContact O-N 3.1Å
1090	E	89.1	Confident	88	Confident	97 Å²	97	89.7 Å²	89.7	45%	0.453	44%	0.442	S	S	.	.	H	α-helix	trans	-62.4	-45.3	175.2	-72.9	175	170.4	0	0	111.9	K1042 E1086 L1087 Q1093 L1094	K1042-E1090 IonicContact NZ-OE1 3.13Å; K1042-E1090 PolarHBondContact NZ-OE1 3.17Å; K1042-E1090 IonicContact NZ-OE2 3.74Å; E1086-E1090 PolarHBondContact O-N 3.23Å; L1087-E1090 PolarHBondContact O-N 2.8Å; E1090-Q1093 PolarHBondContact O-N 3.43Å; E1090-L1094 WeakPolarHBondContact O-CB 3.35Å; E1090-L1094 PolarHBondContact O-N 3.02Å
1091	I	88.3	Confident	87.2	Confident	88 Å²	88	91.8 Å²	91.8	45%	0.451	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-42.2	178.2	-70.5	168.9	0	0	0	111.5	L1087 Q1093 L1094 E1095	L1087-I1091 HydrophobicContact CD2-CD1 3.72Å; L1087-I1091 HydrophobicContact CD2-CG1 4.28Å; L1087-I1091 WeakPolarHBondContact O-CB 3.43Å; L1087-I1091 VanDerWaalsContact O-CG1 3.28Å; L1087-I1091 WeakPolarHBondContact O-CG1 3.46Å; L1087-I1091 PolarHBondContact O-N 2.99Å; I1091-Q1093 VanDerWaalsContact C-N 3.33Å; I1091-Q1093 PolarHBondContact O-N 2.98Å; I1091-L1094 PolarHBondContact O-N 3.2Å; I1091-E1095 PolarHBondContact O-N 3.19Å
1092	N	86.6	Confident	86.4	Confident	87 Å²	87	88.2 Å²	88.2	47%	0.465	45%	0.448	S	S	.	.	H	α-helix	trans	-62.2	-40.6	177.3	-73.2	-19.6	0	0	0	111.9	I1088 A1089 E1095 E1096	I1088-N1092 WeakPolarHBondContact O-CB 3.5Å; I1088-N1092 PolarHBondContact O-N 3.42Å; I1088-N1092 PolarHBondContact O-ND2 3.41Å; A1089-N1092 PolarHBondContact O-N 3.01Å; N1092-E1095 PolarHBondContact O-N 3.29Å; N1092-E1096 PolarHBondContact O-N 3.35Å
1093	Q	88.7	Confident	85.5	Confident	100 Å²	100	92.3 Å²	92.3	47%	0.467	46%	0.464	S	S	.	.	H	α-helix	trans	-63.4	-43.9	175.5	-169.8	63.1	64.1	0	0	111	A1089 E1090 I1091 E1095 E1096 D1097	A1089-Q1093 PolarHBondContact O-N 2.99Å; A1089-Q1093 VanDerWaalsContact O-N 3.1Å; E1090-Q1093 PolarHBondContact O-N 3.43Å; I1091-Q1093 VanDerWaalsContact C-N 3.33Å; I1091-Q1093 PolarHBondContact O-N 2.98Å; Q1093-E1095 VanDerWaalsContact C-N 3.27Å; Q1093-E1095 PolarHBondContact O-N 3.03Å; Q1093-E1096 PolarHBondContact O-N 3.05Å; Q1093-D1097 PolarHBondContact NE2-OD1 2.69Å; Q1093-D1097 VanDerWaalsContact NE2-OD1 3.09Å; Q1093-D1097 VanDerWaalsContact O-CG 3.23Å; Q1093-D1097 PolarHBondContact O-N 2.78Å
1094	L	84.9	Confident	84.1	Confident	122 Å²	122	97.6 Å²	97.6	64%	0.639	49%	0.492	S	S	*	.	H	α-helix	trans	-65.4	-31.3	178.6	-149.2	153.4	0	0	0	111.8	E1090 I1091 F1098	E1090-L1094 WeakPolarHBondContact O-CB 3.35Å; E1090-L1094 PolarHBondContact O-N 3.02Å; I1091-L1094 PolarHBondContact O-N 3.2Å; L1094-F1098 WeakPolarHBondContact O-CB 3.35Å; L1094-F1098 PolarHBondContact O-N 3.02Å
1095	E	84.2	Confident	82.5	Confident	85 Å²	85	104.2 Å²	104.2	40%	0.397	51%	0.512	S	S	.	.	H	α-helix	trans	-69.5	-41.7	171.2	-166.1	-173.5	172.4	0	0	112.5	I1091 N1092 Q1093 F1098 R1099	I1091-E1095 PolarHBondContact O-N 3.19Å; N1092-E1095 PolarHBondContact O-N 3.29Å; Q1093-E1095 VanDerWaalsContact C-N 3.27Å; Q1093-E1095 PolarHBondContact O-N 3.03Å; E1095-F1098 PolarHBondContact O-N 3.19Å; E1095-R1099 WeakPolarHBondContact O-CB 3.4Å; E1095-R1099 VanDerWaalsContact O-CG 3.24Å; E1095-R1099 WeakPolarHBondContact O-CG 3.36Å; E1095-R1099 PolarHBondContact O-N 2.95Å; E1095-R1099 IonicContact OE1-CZ 3.31Å; E1095-R1099 IonicContact OE1-NE 2.79Å; E1095-R1099 PolarHBondContact OE1-NE 3.17Å; E1095-R1099 IonicContact OE1-NH2 2.63Å; E1095-R1099 PolarHBondContact OE1-NH2 3.37Å
1096	E	85.4	Confident	80.7	Confident	128 Å²	128	105.3 Å²	105.3	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-61.5	-50.3	173.7	-76.4	-166.2	143	0	0	111.4	N1092 Q1093 F1098 R1099 E1100	N1092-E1096 PolarHBondContact O-N 3.35Å; Q1093-E1096 PolarHBondContact O-N 3.05Å; E1096-F1098 VanDerWaalsContact C-N 3.29Å; E1096-F1098 PolarHBondContact O-N 3.28Å; E1096-R1099 PolarHBondContact O-N 3.32Å; E1096-R1099 VanDerWaalsContact O-N 3.11Å; E1096-E1100 PolarHBondContact O-N 3.11Å
1097	D	84.9	Confident	79	Confident	89 Å²	89	105.4 Å²	105.4	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-57.7	-41.5	178.4	-64.9	2.4	0	0	0	111.2	Q1093 E1100 A1101	Q1093-D1097 PolarHBondContact NE2-OD1 2.69Å; Q1093-D1097 VanDerWaalsContact NE2-OD1 3.09Å; Q1093-D1097 VanDerWaalsContact O-CG 3.23Å; Q1093-D1097 PolarHBondContact O-N 2.78Å; D1097-E1100 PolarHBondContact O-N 2.81Å; D1097-A1101 WeakPolarHBondContact O-CB 3.5Å; D1097-A1101 PolarHBondContact O-N 3.11Å
1098	F	80.3	Confident	77.1	Confident	129 Å²	129	111.4 Å²	111.4	57%	0.566	55%	0.553	S	S	*	*	H	α-helix	trans	-67.8	-38.7	176.9	-174.6	-105.9	0	0	0	112.6	L1094 E1095 E1096 A1101 I1102	L1094-F1098 WeakPolarHBondContact O-CB 3.35Å; L1094-F1098 PolarHBondContact O-N 3.02Å; E1095-F1098 PolarHBondContact O-N 3.19Å; E1096-F1098 VanDerWaalsContact C-N 3.29Å; E1096-F1098 PolarHBondContact O-N 3.28Å; F1098-A1101 PolarHBondContact O-N 3.03Å; F1098-I1102 HydrophobicContact CD1-CD1 3.91Å; F1098-I1102 HydrophobicContact CE1-CD1 3.35Å; F1098-I1102 HydrophobicContact CE1-CG1 4.35Å; F1098-I1102 HydrophobicContact CE2-CD1 4.38Å; F1098-I1102 HydrophobicContact CZ-CD1 3.63Å; F1098-I1102 HydrophobicContact CZ-CG1 4.39Å; F1098-I1102 PolarHBondContact O-N 3.47Å
1099	R	79.1	Confident	75.1	Confident	159 Å²	159	113 Å²	113	60%	0.6	57%	0.567	S	S	*	*	H	α-helix	trans	-67.9	-34.6	175.7	-75.1	171.7	176.7	-146.7	3.3	112.3	E1095 E1096 K1103	E1095-R1099 WeakPolarHBondContact O-CB 3.4Å; E1095-R1099 VanDerWaalsContact O-CG 3.24Å; E1095-R1099 WeakPolarHBondContact O-CG 3.36Å; E1095-R1099 PolarHBondContact O-N 2.95Å; E1095-R1099 IonicContact OE1-CZ 3.31Å; E1095-R1099 IonicContact OE1-NE 2.79Å; E1095-R1099 PolarHBondContact OE1-NE 3.17Å; E1095-R1099 IonicContact OE1-NH2 2.63Å; E1095-R1099 PolarHBondContact OE1-NH2 3.37Å; E1096-R1099 PolarHBondContact O-N 3.32Å; E1096-R1099 VanDerWaalsContact O-N 3.11Å; R1099-K1103 PolarHBondContact O-N 3.09Å
1100	E	79.8	Confident	72.5	Confident	139 Å²	139	117 Å²	117	65%	0.65	60%	0.6	S	S	*	*	H	α-helix	trans	-67.3	-48.3	170.2	-75.2	-158.2	139.9	0	0	111.5	E1096 D1097 I1102 K1103 D1104	E1096-E1100 PolarHBondContact O-N 3.11Å; D1097-E1100 PolarHBondContact O-N 2.81Å; E1100-I1102 VanDerWaalsContact C-N 3.27Å; E1100-I1102 PolarHBondContact O-N 3.2Å; E1100-K1103 WeakPolarHBondContact O-CB 3.24Å; E1100-K1103 PolarHBondContact O-N 2.93Å; E1100-D1104 PolarHBondContact O-N 3.1Å
1101	A	77.7	Confident	71.7	Confident	56 Å²	56	118 Å²	118	46%	0.463	61%	0.608	S	S	.	*	H	α-helix	trans	-59.4	-34.2	179.3	0	0	0	0	0	113.6	D1097 F1098 R1105	D1097-A1101 WeakPolarHBondContact O-CB 3.5Å; D1097-A1101 PolarHBondContact O-N 3.11Å; F1098-A1101 PolarHBondContact O-N 3.03Å; A1101-R1105 PolarHBondContact O-N 3.33Å
1102	I	76.1	Confident	70.8	Confident	75 Å²	75	119.5 Å²	119.5	39%	0.385	62%	0.616	S	S	.	*	H	α-helix	trans	-69.4	-40.2	173	-76.9	-179.1	0	0	0	112	F1098 E1100 R1105 L1106	F1098-I1102 HydrophobicContact CD1-CD1 3.91Å; F1098-I1102 HydrophobicContact CE1-CD1 3.35Å; F1098-I1102 HydrophobicContact CE1-CG1 4.35Å; F1098-I1102 HydrophobicContact CE2-CD1 4.38Å; F1098-I1102 HydrophobicContact CZ-CD1 3.63Å; F1098-I1102 HydrophobicContact CZ-CG1 4.39Å; F1098-I1102 PolarHBondContact O-N 3.47Å; E1100-I1102 VanDerWaalsContact C-N 3.27Å; E1100-I1102 PolarHBondContact O-N 3.2Å; I1102-R1105 PolarHBondContact O-N 2.98Å; I1102-L1106 HydrophobicContact CG2-CD1 3.86Å; I1102-L1106 HydrophobicContact CG2-CG 4.48Å; I1102-L1106 WeakPolarHBondContact O-CG 3.4Å; I1102-L1106 PolarHBondContact O-N 2.96Å
1103	K	72.8	Confident	70	Confident	147 Å²	147	121.3 Å²	121.3	64%	0.639	62%	0.624	S	S	*	*	H	α-helix	trans	-60.5	-46.7	175.7	-83.4	177.3	174.8	173.3	0	111.5	R1099 E1100 R1105 L1106 V1107	R1099-K1103 PolarHBondContact O-N 3.09Å; E1100-K1103 WeakPolarHBondContact O-CB 3.24Å; E1100-K1103 PolarHBondContact O-N 2.93Å; K1103-R1105 VanDerWaalsContact C-N 3.27Å; K1103-R1105 PolarHBondContact O-N 2.93Å; K1103-L1106 PolarHBondContact O-N 3.04Å; K1103-V1107 WeakPolarHBondContact O-CG2 3.45Å; K1103-V1107 PolarHBondContact O-N 3Å; K1103-V1107 VanDerWaalsContact O-N 3.14Å
1104	D	64.9	Low	68.9	Low	116 Å²	116	122.6 Å²	122.6	62%	0.62	63%	0.633	S	S	*	*	H	α-helix	trans	-63.4	-32.9	178.6	-84.5	0.6	0	0	0	112.4	E1100 N1108	E1100-D1104 PolarHBondContact O-N 3.1Å; D1104-N1108 PolarHBondContact O-ND2 2.63Å
1105	R	56.8	Low	67.9	Low	205 Å²	205	122.6 Å²	122.6	77%	0.774	63%	0.633	S	S	*	*	H	α-helix	trans	-70.5	-40.8	172.5	-97.6	-177	168.9	-179.1	-2.9	113.4	A1101 I1102 K1103 V1107 N1108 V1109	A1101-R1105 PolarHBondContact O-N 3.33Å; I1102-R1105 PolarHBondContact O-N 2.98Å; K1103-R1105 VanDerWaalsContact C-N 3.27Å; K1103-R1105 PolarHBondContact O-N 2.93Å; R1105-V1107 VanDerWaalsContact C-N 3.3Å; R1105-V1107 PolarHBondContact O-N 3.11Å; R1105-N1108 PolarHBondContact O-N 3.28Å; R1105-V1109 WeakPolarHBondContact O-CG2 3.42Å
1106	L	54.1	Low	66.8	Low	117 Å²	117	125.1 Å²	125.1	61%	0.613	65%	0.649	S	S	*	*	H	α-helix	trans	-65.6	-32.1	179.4	-76.7	165.9	0	0	0	112.7	I1102 K1103 N1108 V1109	I1102-L1106 HydrophobicContact CG2-CD1 3.86Å; I1102-L1106 HydrophobicContact CG2-CG 4.48Å; I1102-L1106 WeakPolarHBondContact O-CG 3.4Å; I1102-L1106 PolarHBondContact O-N 2.96Å; K1103-L1106 PolarHBondContact O-N 3.04Å; L1106-N1108 VanDerWaalsContact C-N 3.27Å; L1106-N1108 PolarHBondContact O-N 2.98Å; L1106-V1109 PolarHBondContact O-N 3.14Å
1107	V	55.4	Low	65.4	Low	107 Å²	107	124.9 Å²	124.9	65%	0.648	65%	0.652	S	S	*	*	H	α-helix	trans	-71.9	-18.7	175.7	175.7	0	0	0	0	113	K1103 R1105	K1103-V1107 WeakPolarHBondContact O-CG2 3.45Å; K1103-V1107 PolarHBondContact O-N 3Å; K1103-V1107 VanDerWaalsContact O-N 3.14Å; R1105-V1107 VanDerWaalsContact C-N 3.3Å; R1105-V1107 PolarHBondContact O-N 3.11Å
1108	N	50.1	Low	63.9	Low	138 Å²	138	127.7 Å²	127.7	74%	0.738	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	2.4	176.9	-75.8	-75.2	0	0	0	114	D1104 R1105 L1106	D1104-N1108 PolarHBondContact O-ND2 2.63Å; R1105-N1108 PolarHBondContact O-N 3.28Å; L1106-N1108 VanDerWaalsContact C-N 3.27Å; L1106-N1108 PolarHBondContact O-N 2.98Å
1109	V	48.6	Very low	62.6	Low	130 Å²	130	127.6 Å²	127.6	79%	0.788	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-4.7	-179.8	178.8	0	0	0	0	112	R1105 L1106	R1105-V1109 WeakPolarHBondContact O-CG2 3.42Å; L1106-V1109 PolarHBondContact O-N 3.14Å
1110	A	35.6	Very low	61.1	Low	142 Å²	142	124.7 Å²	124.7	100%	1.174	68%	0.681	S	S	*	*			trans	-106.8	0	171.9	0	0	0	0	0	111.3

Retrieved 1,110 of 1,110 residues in 854.2 ms (Link to these results)

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