A0A077ZA07_TRITR Loading...

LOC733291 protein

AlphaFold DB , UniProt , Accession A0A077ZA07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,053 aa.

						>A0A077ZA07_TRITR|A0A077ZA07
MAGLEVDEPQGSNAIACFTSDVFLWFTNQVVCFRGLCAPEAIAPAKFFNLPCKICTCSNIVSRLKAYSEVVKDLARQGRLIALAMSVKGVKRSDIPFERYMMEVFGNTSSIRDRYRLHSDALGADLGDILKRLIIVLGHICDKSSISHSAVTFDVMVLVNDSAMDVLKDGERRSIGARKEPLKCPKVHAVPIAPTTWEPNHSSIKLAIFPSLYAFLGKVVISFKFVSAAKFVKLNGDEIRIRRASITLEPPGRLGCTKKSNLHTTFGEGSRNVVIDLAENVQVGTSAKLSLWFTGKINDRGEGLHRIVYSCQGQEKIAIVSNFNKGYARFAFPCWDELTFRSSYEFVVDIPENYTVISNMTVISAASFQKAVNVVPIGNGFKSVQFAHTPKLPTCALGLIAMEANYVERIGPGGMIFRFYGMPSSYKRNTAALDIIVKIYAVLEEYFAYRIGLEKLDYVSVPDFNECASEFYGLILACENYLVAENSEDGRTEREVHVSIAHELTRLWLGAVVSPQSWNEFFIHDALCTYVGDKLANIHCPSREFEVFTALCDTNKGLIMDASRHSKIETIRNPIDIDIYRTVNLFAKPYHMLVLLERFLGDELFRNALRSFIYEYAYKSISLSQIWRWMSSLSGYDVELIVSEWMSKPGFPLLCAEIDWSKPTAVLRLKQTRFIEDGTNGQKEFCWAIIVMYSYKNAKAPLFHLMTKQEDEIVLSNFNRGDWLKLNWDFKGFYRVFYGIELRRALFKSFQCFGDTNRMSILADAVKVIAYLELLEACAEETCPGMLSLMATSAVELMGTFQFAPMYKRLRRFFRKLLYPMFHTYGWKPKESRSYLEKVARFSLLSALVECGDEIVVQFSREMFDAFVKYQVPIISQLRPLILCAVCRYGDEADADTMLRLYKENVDEPNSSEYLAAIGYTPILSVLENLLKFYEAGNLASKSHIASIFEYMPRTVVGHKFAWCYIKAHWKELVQTHGNTLYFDKLVKQALTNVHGEMIDWNVDDAFASPDDVEPYLRPLLRSIQVRSRINTQVLAQHVEVGQWLQGRGFKGR
					

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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	27.3	Very low	29.2	Very low	158 Å²	158	131.5 Å²	131.5	78%	0.778	76%	0.764	S	S	*	*				0	137.7	0	-62.7	-172.8	-69.5	0	0	106.9	L4	M1-L4 HydrophobicContact CE-CD1 4.05Å; M1-L4 HydrophobicContact SD-CD1 4.41Å
2	A	27.4	Very low	29.4	Very low	116 Å²	116	128.5 Å²	128.5	96%	0.959	76%	0.756	S	S	*	*			trans	-131.9	65.5	-173.6	0	0	0	0	0	109.5
3	G	31.3	Very low	29.5	Very low	75 Å²	75	127.8 Å²	127.8	77%	0.773	75%	0.747	S	S	*	*	S	Bend	trans	170.8	26.8	-169.6	0	0	0	0	0	113.8
4	L	27.4	Very low	29.8	Very low	124 Å²	124	122.1 Å²	122.1	65%	0.649	72%	0.722	S	S	*	*			trans	-130.6	106.8	166.6	-82.9	169	0	0	0	105.7	M1 V6	M1-L4 HydrophobicContact CE-CD1 4.05Å; M1-L4 HydrophobicContact SD-CD1 4.41Å; L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 HydrophobicContact CB-CG2 4.44Å; L4-V6 PolarHBondContact O-N 3.46Å
5	E	25.4	Very low	29.8	Very low	197 Å²	197	121.9 Å²	121.9	92%	0.921	71%	0.714	S	S	*	*			trans	-69.1	96	164.8	-68.1	175.7	143.5	0	0	106.5
6	V	29.2	Very low	30.1	Very low	116 Å²	116	118 Å²	118	70%	0.703	70%	0.7	S	S	*	*			trans	-87.4	106.6	166.3	-178.9	0	0	0	0	105.1	L4 E8	L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 HydrophobicContact CB-CG2 4.44Å; L4-V6 PolarHBondContact O-N 3.46Å; V6-E8 PolarHBondContact O-N 3.21Å
7	D	29.7	Very low	30.2	Very low	148 Å²	148	112.8 Å²	112.8	79%	0.791	67%	0.671	S	S	*	*			trans	-43.5	133	174.8	-71.1	-56.2	0	0	0	110.3	P9	D7-P9 WeakPolarHBondContact O-CD 3.42Å
8	E	29.5	Very low	30.2	Very low	168 Å²	168	110.3 Å²	110.3	79%	0.785	65%	0.65	S	S	*	*			trans	-51.4	117.8	-174.9	-68.8	-169.3	133.4	0	0	110	V6 Q10	V6-E8 PolarHBondContact O-N 3.21Å; E8-Q10 PolarHBondContact O-N 2.6Å
9	P	30.7	Very low	30.5	Very low	109 Å²	109	108.3 Å²	108.3	71%	0.708	64%	0.639	S	S	*	*			trans	-70.2	95.3	-174	25.6	-33	0	0	0	109.8	D7 G11	D7-P9 WeakPolarHBondContact O-CD 3.42Å; P9-G11 PolarHBondContact O-N 3.3Å
10	Q	30.1	Very low	30.8	Very low	194 Å²	194	107.4 Å²	107.4	91%	0.907	64%	0.639	S	S	*	*			trans	-69	77.4	177.9	-66.5	-171	1.6	0	0	110.9	E8	E8-Q10 PolarHBondContact O-N 2.6Å
11	G	32.9	Very low	31.3	Very low	42 Å²	42	109 Å²	109	43%	0.433	64%	0.644	S	S	.	*	S	Bend	trans	150.2	144.7	178.2	0	0	0	0	0	111.9	P9 N13	P9-G11 PolarHBondContact O-N 3.3Å; G11-N13 PolarHBondContact O-N 3.33Å
12	S	31.6	Very low	31.4	Very low	95 Å²	95	103.3 Å²	103.3	66%	0.664	62%	0.618	S	S	*	*			trans	-73	43.8	-178.1	46.5	0	0	0	0	114.1	A14	S12-A14 PolarHBondContact O-N 2.68Å; S12-A14 VanDerWaalsContact O-N 3.13Å
13	N	30.9	Very low	31.4	Very low	120 Å²	120	103.4 Å²	103.4	64%	0.642	60%	0.597	S	S	*	*			trans	-82.2	87	-177.9	-65.4	-44.1	0	0	0	110.7	G11 I15	G11-N13 PolarHBondContact O-N 3.33Å; N13-I15 PolarHBondContact O-N 2.91Å
14	A	33.7	Very low	31.1	Very low	47 Å²	47	102.9 Å²	102.9	39%	0.388	58%	0.577	S	S	.	*			trans	-61.8	124.5	-179.3	0	0	0	0	0	112.8	S12 I81 L122	S12-A14 PolarHBondContact O-N 2.68Å; S12-A14 VanDerWaalsContact O-N 3.13Å; A14-I81 VanDerWaalsContact CB-O 3.22Å; A14-I81 WeakPolarHBondContact CB-O 3.23Å; A14-L122 HydrophobicContact CB-CD2 4.15Å
15	I	30.1	Very low	31	Very low	119 Å²	119	107.1 Å²	107.1	61%	0.61	58%	0.584	S	S	*	*			trans	-90.2	111.5	177.3	-58.1	174.8	0	0	0	109.5	N13 C17 F26	N13-I15 PolarHBondContact O-N 2.91Å; I15-C17 HydrophobicContact CG2-CB 4.36Å; I15-C17 PolarHBondContact O-N 3.43Å; I15-F26 HydrophobicContact CG2-CD1 4.21Å; I15-F26 HydrophobicContact CG2-CE1 3.95Å
16	A	33.9	Very low	31.2	Very low	60 Å²	60	103.2 Å²	103.2	50%	0.496	56%	0.564	S	S	.	*			trans	-85.3	91.1	-178.3	0	0	0	0	0	112	F18	A16-F18 VanDerWaalsContact C-CE2 3.43Å; A16-F18 HydrophobicContact CB-CE2 4.16Å; A16-F18 HydrophobicContact CB-CZ 4.32Å; A16-F18 VanDerWaalsContact O-CE2 3.22Å; A16-F18 WeakPolarHBondContact O-CE2 3.3Å
17	C	31.6	Very low	31.3	Very low	30 Å²	30	103.4 Å²	103.4	20%	0.203	57%	0.566	C	S	.	*			trans	-132.8	151.7	-173.6	-80.8	0	0	0	0	115.6	I15 L24 W25 F26	I15-C17 HydrophobicContact CG2-CB 4.36Å; I15-C17 PolarHBondContact O-N 3.43Å; C17-L24 HydrophobicContact CB-CD2 4.19Å; C17-W25 VanDerWaalsContact SG-C 3.55Å; C17-W25 PolarHBondContact SG-O 3.4Å; C17-F26 HydrophobicContact CB-CD1 4.44Å; C17-F26 HydrophobicContact CB-CD2 4.12Å; C17-F26 HydrophobicContact CB-CE1 3.91Å; C17-F26 HydrophobicContact CB-CE2 3.54Å; C17-F26 HydrophobicContact CB-CZ 3.42Å; C17-F26 VanDerWaalsContact CB-CZ 3.42Å; C17-F26 WeakPolarHBondContact SG-CD1 3.41Å; C17-F26 WeakPolarHBondContact SG-CD2 3.36Å; C17-F26 WeakPolarHBondContact SG-CE1 3.48Å; C17-F26 WeakPolarHBondContact SG-CE2 3.39Å; C17-F26 WeakPolarHBondContact SG-CG 3.46Å; C17-F26 WeakPolarHBondContact SG-CZ 3.48Å
18	F	30	Very low	31.4	Very low	68 Å²	68	103.6 Å²	103.6	30%	0.298	57%	0.567	S	S	.	*			trans	-154.7	-139	-159.2	-40.3	-101.4	0	0	0	111.3	A16 V22 F23 L24 A84	A16-F18 VanDerWaalsContact C-CE2 3.43Å; A16-F18 HydrophobicContact CB-CE2 4.16Å; A16-F18 HydrophobicContact CB-CZ 4.32Å; A16-F18 VanDerWaalsContact O-CE2 3.22Å; A16-F18 WeakPolarHBondContact O-CE2 3.3Å; F18-V22 HydrophobicContact CB-CG1 4.17Å; F18-V22 WeakPolarHBondContact CB-O 3.36Å; F18-V22 HydrophobicContact CD1-CG1 4.1Å; F18-F23 WeakPolarHBondContact CB-O 3.27Å; F18-F23 WeakPolarHBondContact CD2-O 3.41Å; F18-F23 VanDerWaalsContact CG-O 3.26Å; F18-F23 WeakPolarHBondContact CG-O 3.49Å; F18-L24 WeakPolarHBondContact O-CG 3.33Å; F18-A84 HydrophobicContact CD1-CB 4.02Å; F18-A84 HydrophobicContact CE1-CB 4.13Å
19	T	36.4	Very low	31.3	Very low	72 Å²	72	104 Å²	104	44%	0.442	57%	0.569	S	S	.	*	B	Isolated β-bridge	trans	-137.6	-151.1	175.2	32.3	0	0	0	0	113.5	D21 V22 F23 L24	T19-D21 PolarHBondContact OG1-O 2.8Å; T19-V22 CarbonylContact C-O 3.58Å; T19-V22 WeakPolarHBondContact CA-O 3.24Å; T19-V22 PolarHBondContact N-O 3.04Å; T19-V22 CarbonylContact O-C 3.28Å; T19-F23 CarbonylContact O-C 3.49Å; T19-F23 VanDerWaalsContact O-C 3.28Å; T19-F23 VanDerWaalsContact O-CA 3.27Å; T19-F23 WeakPolarHBondContact O-CA 3.42Å; T19-L24 WeakPolarHBondContact O-CA 3.27Å; T19-L24 WeakPolarHBondContact O-CB 3.31Å; T19-L24 PolarHBondContact O-N 3.33Å
20	S	36	Very low	31.2	Very low	90 Å²	90	105.4 Å²	105.4	63%	0.629	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-52.4	172.1	54.9	0	0	0	0	112.2	V22	S20-V22 PolarHBondContact O-N 3.36Å
21	D	41.9	Very low	31	Very low	140 Å²	140	100.2 Å²	100.2	75%	0.749	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	110.8	155	-73.1	-90.4	0	0	0	105.4	T19	T19-D21 PolarHBondContact OG1-O 2.8Å
22	V	29.8	Very low	30.7	Very low	39 Å²	39	103.8 Å²	103.8	24%	0.236	57%	0.573	C	S	.	*	T	Hydrogen-bonded Turn	trans	74.8	81.9	-159.3	-165.5	0	0	0	0	112	F18 T19 S20 M85 S86	F18-V22 HydrophobicContact CB-CG1 4.17Å; F18-V22 WeakPolarHBondContact CB-O 3.36Å; F18-V22 HydrophobicContact CD1-CG1 4.1Å; T19-V22 CarbonylContact C-O 3.58Å; T19-V22 WeakPolarHBondContact CA-O 3.24Å; T19-V22 PolarHBondContact N-O 3.04Å; T19-V22 CarbonylContact O-C 3.28Å; S20-V22 PolarHBondContact O-N 3.36Å; V22-M85 WeakPolarHBondContact CG1-O 3.48Å; V22-S86 WeakPolarHBondContact CG2-OG 3.4Å
23	F	26.6	Very low	30.5	Very low	118 Å²	118	104.2 Å²	104.2	52%	0.518	56%	0.563	S	S	.	*	B	Isolated β-bridge	trans	-54.3	131.4	-168	-68.5	-77	0	0	0	118.7	F18 T19 F97	F18-F23 WeakPolarHBondContact CB-O 3.27Å; F18-F23 WeakPolarHBondContact CD2-O 3.41Å; F18-F23 VanDerWaalsContact CG-O 3.26Å; F18-F23 WeakPolarHBondContact CG-O 3.49Å; T19-F23 CarbonylContact O-C 3.49Å; T19-F23 VanDerWaalsContact O-C 3.28Å; T19-F23 VanDerWaalsContact O-CA 3.27Å; T19-F23 WeakPolarHBondContact O-CA 3.42Å; F23-F97 HydrophobicContact CE1-CE2 4.07Å; F23-F97 HydrophobicContact CE2-CE2 4.19Å; F23-F97 AromaticContact CZ-CE2 3.91Å; F23-F97 HydrophobicContact CZ-CE2 3.91Å
24	L	26.5	Very low	30.2	Very low	64 Å²	64	109.8 Å²	109.8	34%	0.335	58%	0.575	S	S	.	*			trans	-84	156.7	-173.6	-125.5	-176.9	0	0	0	115.9	C17 F18 T19 F26	C17-L24 HydrophobicContact CB-CD2 4.19Å; F18-L24 WeakPolarHBondContact O-CG 3.33Å; T19-L24 WeakPolarHBondContact O-CA 3.27Å; T19-L24 WeakPolarHBondContact O-CB 3.31Å; T19-L24 PolarHBondContact O-N 3.33Å; L24-F26 HydrophobicContact CD2-CD2 3.48Å; L24-F26 VanDerWaalsContact CD2-CD2 3.48Å; L24-F26 HydrophobicContact CD2-CE2 3.82Å; L24-F26 HydrophobicContact CD2-CG 4.49Å
25	W	25.1	Very low	30	Very low	213 Å²	213	111.2 Å²	111.2	81%	0.807	59%	0.594	S	S	*	*			trans	-159.1	97.4	149.4	-128.9	58.7	0	0	0	116.8	C17	C17-W25 VanDerWaalsContact SG-C 3.55Å; C17-W25 PolarHBondContact SG-O 3.4Å
26	F	28	Very low	29.9	Very low	116 Å²	116	112.2 Å²	112.2	51%	0.509	60%	0.6	S	S	.	*			trans	-97	144.3	166.1	-78.4	-77.4	0	0	0	111.3	I15 C17 L24 N28	I15-F26 HydrophobicContact CG2-CD1 4.21Å; I15-F26 HydrophobicContact CG2-CE1 3.95Å; C17-F26 HydrophobicContact CB-CD1 4.44Å; C17-F26 HydrophobicContact CB-CD2 4.12Å; C17-F26 HydrophobicContact CB-CE1 3.91Å; C17-F26 HydrophobicContact CB-CE2 3.54Å; C17-F26 HydrophobicContact CB-CZ 3.42Å; C17-F26 VanDerWaalsContact CB-CZ 3.42Å; C17-F26 WeakPolarHBondContact SG-CD1 3.41Å; C17-F26 WeakPolarHBondContact SG-CD2 3.36Å; C17-F26 WeakPolarHBondContact SG-CE1 3.48Å; C17-F26 WeakPolarHBondContact SG-CE2 3.39Å; C17-F26 WeakPolarHBondContact SG-CG 3.46Å; C17-F26 WeakPolarHBondContact SG-CZ 3.48Å; L24-F26 HydrophobicContact CD2-CD2 3.48Å; L24-F26 VanDerWaalsContact CD2-CD2 3.48Å; L24-F26 HydrophobicContact CD2-CE2 3.82Å; L24-F26 HydrophobicContact CD2-CG 4.49Å; F26-N28 PolarHBondContact O-N 3.44Å
27	T	33	Very low	29.7	Very low	119 Å²	119	114.9 Å²	114.9	73%	0.73	61%	0.614	S	S	*	*	S	Bend	trans	-80.5	105.9	171.3	48.7	0	0	0	0	111.3
28	N	30.7	Very low	29.5	Very low	153 Å²	153	117.4 Å²	117.4	82%	0.818	64%	0.637	S	S	*	*	S	Bend	trans	76.6	126.9	177.7	-54.5	-27.6	0	0	0	116	F26	F26-N28 PolarHBondContact O-N 3.44Å
29	Q	28.1	Very low	29.5	Very low	177 Å²	177	117 Å²	117	83%	0.827	64%	0.642	S	S	*	*			trans	67.5	151	-176.8	-57.2	-163.6	-1.5	0	0	116.8
30	V	27.3	Very low	29.4	Very low	137 Å²	137	122.8 Å²	122.8	83%	0.83	66%	0.663	S	S	*	*			trans	-126.2	115.1	-173.5	177.9	0	0	0	0	108.8
31	V	26.8	Very low	29.2	Very low	85 Å²	85	123 Å²	123	52%	0.515	67%	0.671	S	S	.	*			trans	-115.1	124.5	174.5	-179.6	0	0	0	0	109.1	F33	V31-F33 HydrophobicContact CB-CE2 3.97Å; V31-F33 HydrophobicContact CB-CZ 4.36Å; V31-F33 HydrophobicContact CG1-CD2 4.33Å; V31-F33 HydrophobicContact CG1-CE1 4.36Å; V31-F33 HydrophobicContact CG1-CE2 3.8Å; V31-F33 HydrophobicContact CG1-CZ 3.81Å
32	C	26.4	Very low	28.7	Very low	117 Å²	117	121.3 Å²	121.3	79%	0.791	66%	0.661	S	S	*	*			trans	-88.5	107.5	-177.8	-175.1	0	0	0	0	110.9	R34	C32-R34 PolarHBondContact O-N 3.49Å
33	F	28.1	Very low	28.9	Very low	104 Å²	104	123.8 Å²	123.8	46%	0.456	69%	0.685	S	S	.	*			trans	-88.7	99.4	179.3	-71.9	-80.9	0	0	0	112.3	V31	V31-F33 HydrophobicContact CB-CE2 3.97Å; V31-F33 HydrophobicContact CB-CZ 4.36Å; V31-F33 HydrophobicContact CG1-CD2 4.33Å; V31-F33 HydrophobicContact CG1-CE1 4.36Å; V31-F33 HydrophobicContact CG1-CE2 3.8Å; V31-F33 HydrophobicContact CG1-CZ 3.81Å
34	R	24.8	Very low	29.2	Very low	238 Å²	238	122 Å²	122	90%	0.898	69%	0.686	S	S	*	*			trans	-93.5	135.8	153.2	-79.7	-178	168.8	178.9	-3.2	108.9	C32	C32-R34 PolarHBondContact O-N 3.49Å
35	G	28.8	Very low	29.5	Very low	76 Å²	76	120 Å²	120	78%	0.784	68%	0.678	S	S	*	*			trans	72.6	66.3	168.4	0	0	0	0	0	115.2	C37	G35-C37 PolarHBondContact O-N 3.01Å
36	L	27.4	Very low	29.9	Very low	140 Å²	140	115.7 Å²	115.7	73%	0.733	67%	0.665	S	S	*	*			trans	-71.3	91.1	167.7	-88.4	166.9	0	0	0	111
37	C	29.4	Very low	30	Very low	117 Å²	117	117 Å²	117	79%	0.791	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-67.9	123.4	145.3	-66.8	0	0	0	0	107.4	G35 P39	G35-C37 PolarHBondContact O-N 3.01Å; C37-P39 WeakPolarHBondContact O-CD 3.47Å
38	A	29.1	Very low	30	Very low	83 Å²	83	116.5 Å²	116.5	69%	0.686	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-68.7	125.9	179.8	0	0	0	0	0	110.4
39	P	29.6	Very low	30.1	Very low	60 Å²	60	114.7 Å²	114.7	39%	0.39	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-67.4	140.5	167.9	-15.9	31.1	0	0	0	109.9	C37 A41 I42	C37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-A41 PolarHBondContact O-N 3.34Å; P39-I42 PolarHBondContact O-N 2.62Å
40	E	33.5	Very low	30.1	Very low	192 Å²	192	112 Å²	112	90%	0.897	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-14.2	-170	-62.4	177.6	126.8	0	0	114.6	I42	E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.94Å
41	A	32.9	Very low	30.1	Very low	96 Å²	96	111 Å²	111	79%	0.793	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-17.9	177.1	0	0	0	0	0	115	P39 A43	P39-A41 PolarHBondContact O-N 3.34Å; A41-A43 VanDerWaalsContact C-N 3.28Å; A41-A43 PolarHBondContact O-N 2.77Å
42	I	30.5	Very low	30.4	Very low	104 Å²	104	110.3 Å²	110.3	53%	0.533	63%	0.634	S	S	.	*			trans	-94.8	41.4	-177	-36.2	-177.5	0	0	0	111.8	P39 E40 P44 A45	P39-I42 PolarHBondContact O-N 2.62Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.94Å; I42-P44 VanDerWaalsContact C-CD 3.44Å; I42-A45 HydrophobicContact CG2-CB 3.94Å
43	A	34.5	Very low	30.5	Very low	90 Å²	90	114.7 Å²	114.7	74%	0.744	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-31.5	-168.1	0	0	0	0	0	117.8	A41	A41-A43 VanDerWaalsContact C-N 3.28Å; A41-A43 PolarHBondContact O-N 2.77Å
44	P	32	Very low	30.3	Very low	82 Å²	82	116 Å²	116	53%	0.532	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.8	5.2	-175.6	36.1	-34.3	0	0	0	115.2	I42 K46	I42-P44 VanDerWaalsContact C-CD 3.44Å; P44-K46 PolarHBondContact O-N 3.36Å
45	A	33.3	Very low	30.5	Very low	22 Å²	22	108.8 Å²	108.8	18%	0.182	64%	0.635	C	S	.	*			trans	-71.8	92.4	-174.4	0	0	0	0	0	113.5	I42 F47 L158	I42-A45 HydrophobicContact CG2-CB 3.94Å; A45-F47 HydrophobicContact CB-CE2 4.32Å; A45-F47 WeakPolarHBondContact O-CD2 3.37Å; A45-F47 WeakPolarHBondContact O-CE2 3.37Å; A45-F47 PolarHBondContact O-N 3.12Å; A45-L158 HydrophobicContact CB-CD1 3.68Å
46	K	33.4	Very low	30.6	Very low	122 Å²	122	108.5 Å²	108.5	53%	0.53	62%	0.619	S	S	.	*			trans	-74.5	111.7	174	-73.8	170.5	-176.2	154.9	0	111.9	P44 F48 D161	P44-K46 PolarHBondContact O-N 3.36Å; K46-F48 HydrophobicContact CB-CE2 4.2Å; K46-F48 HydrophobicContact CB-CZ 4.39Å; K46-F48 WeakPolarHBondContact O-CD2 3.43Å; K46-F48 PolarHBondContact O-N 2.87Å; K46-D161 IonicContact NZ-OD2 3.21Å; K46-D161 PolarHBondContact NZ-OD2 3.25Å
47	F	30.7	Very low	31	Very low	142 Å²	142	106.2 Å²	106.2	62%	0.623	61%	0.613	S	S	*	*			trans	-80.1	102.3	178.8	-68.5	-101.1	0	0	0	112.1	A45 N49 M156	A45-F47 HydrophobicContact CB-CE2 4.32Å; A45-F47 WeakPolarHBondContact O-CD2 3.37Å; A45-F47 WeakPolarHBondContact O-CE2 3.37Å; A45-F47 PolarHBondContact O-N 3.12Å; F47-N49 VanDerWaalsContact C-N 3.3Å; F47-N49 PolarHBondContact O-N 3.45Å; F47-M156 HydrophobicContact CD1-CE 3.55Å; F47-M156 HydrophobicContact CD1-SD 3.79Å; F47-M156 HydrophobicContact CE1-CE 3.31Å; F47-M156 HydrophobicContact CE1-SD 3.82Å; F47-M156 HydrophobicContact CG-CE 4.33Å; F47-M156 HydrophobicContact CZ-CE 3.9Å
48	F	32.5	Very low	31.5	Very low	109 Å²	109	105.8 Å²	105.8	48%	0.478	61%	0.611	S	S	.	*			trans	-79.1	65.6	177.9	-68.1	-77.6	0	0	0	113.9	K46 L50	K46-F48 HydrophobicContact CB-CE2 4.2Å; K46-F48 HydrophobicContact CB-CZ 4.39Å; K46-F48 WeakPolarHBondContact O-CD2 3.43Å; K46-F48 PolarHBondContact O-N 2.87Å; F48-L50 PolarHBondContact O-N 2.79Å
49	N	32.7	Very low	32.3	Very low	115 Å²	115	105.9 Å²	105.9	62%	0.615	60%	0.601	S	S	*	*			trans	-86.7	99	177.1	-125.9	-19	0	0	0	111	F47 P51	F47-N49 VanDerWaalsContact C-N 3.3Å; F47-N49 PolarHBondContact O-N 3.45Å; N49-P51 WeakPolarHBondContact O-CD 3.44Å
50	L	28.2	Very low	33.1	Very low	120 Å²	120	105.4 Å²	105.4	63%	0.628	59%	0.594	S	S	*	*			trans	-110.5	83.1	-175.5	-73.7	173	0	0	0	112.6	F48 C52	F48-L50 PolarHBondContact O-N 2.79Å; L50-C52 PolarHBondContact O-N 3.19Å
51	P	28.9	Very low	33.8	Very low	117 Å²	117	99 Å²	99	76%	0.76	57%	0.568	S	S	*	*			trans	-66	116.2	-178.8	26	-34.2	0	0	0	112.6	N49 K53	N49-P51 WeakPolarHBondContact O-CD 3.44Å; P51-K53 PolarHBondContact O-N 2.83Å
52	C	31.8	Very low	34.7	Very low	70 Å²	70	97.3 Å²	97.3	47%	0.473	55%	0.55	S	S	.	*			trans	-64.6	120.5	-178.2	161.7	0	0	0	0	113.7	L50 I54 R63	L50-C52 PolarHBondContact O-N 3.19Å; C52-I54 PolarHBondContact SG-O 3.35Å; C52-R63 PolarHBondContact SG-NH1 3.02Å
53	K	28.6	Very low	35.7	Very low	210 Å²	210	96 Å²	96	91%	0.913	54%	0.539	S	S	*	.			trans	-135.1	31.2	163.5	-74.5	-165.1	175.2	179.6	0	115.8	P51	P51-K53 PolarHBondContact O-N 2.83Å
54	I	24.9	Very low	36.6	Very low	131 Å²	131	92.2 Å²	92.2	67%	0.672	51%	0.506	S	S	*	.	S	Bend	trans	-112.9	138.2	152	-67.4	-178.9	0	0	0	108.4	C52 R63	C52-I54 PolarHBondContact SG-O 3.35Å; I54-R63 PolarHBondContact O-NH2 2.97Å
55	C	28.2	Very low	37.7	Very low	87 Å²	87	93.9 Å²	93.9	59%	0.588	51%	0.505	S	S	*	.			trans	-38.5	133.9	-163.3	55.5	0	0	0	0	117.9
56	T	31.2	Very low	38.9	Very low	70 Å²	70	95.4 Å²	95.4	43%	0.429	52%	0.517	S	S	.	.	S	Bend		-4.9	134.3	121.4	56.7	0	0	0	0	116.4
57	C	35.2	Very low	40.1	Very low	92 Å²	92	93.9 Å²	93.9	62%	0.622	51%	0.509	S	S	*	.	S	Bend	trans	58.5	89.4	160	-49.7	0	0	0	0	114.6
58	S	39	Very low	41.4	Very low	107 Å²	107	87.3 Å²	87.3	75%	0.748	48%	0.48	S	S	*	.	S	Bend	cis	-129.6	7.4	35.7	52.1	0	0	0	0	115.1	I60	S58-I60 PolarHBondContact O-N 3.2Å
59	N	47.8	Very low	42.8	Very low	86 Å²	86	86.5 Å²	86.5	46%	0.46	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	7.3	-157.1	-128.8	-1.6	0	0	0	116.9	S62 R63	N59-S62 PolarHBondContact O-N 3.16Å; N59-S62 WeakPolarHBondContact OD1-CB 3.34Å; N59-S62 PolarHBondContact OD1-OG 2.95Å; N59-R63 PolarHBondContact O-N 2.66Å; N59-R63 VanDerWaalsContact O-N 3.09Å
60	I	45.5	Very low	44.2	Very low	50 Å²	50	84.7 Å²	84.7	26%	0.256	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-45.1	178.3	-79.6	176.2	0	0	0	111.4	S58 S62 R63 L64	S58-I60 PolarHBondContact O-N 3.2Å; I60-S62 VanDerWaalsContact C-N 3.27Å; I60-S62 PolarHBondContact O-N 3.31Å; I60-R63 PolarHBondContact O-N 3.49Å; I60-L64 HydrophobicContact CG2-CD1 3.96Å; I60-L64 PolarHBondContact O-N 3.43Å
61	V	49.2	Very low	45.6	Very low	58 Å²	58	79.2 Å²	79.2	35%	0.352	44%	0.443	S	S	.	.	H	α-helix	trans	-56.7	-43.1	177.3	178.8	0	0	0	0	110.9	L64 K65 I134	V61-L64 PolarHBondContact O-N 3.26Å; V61-K65 HydrophobicContact CG1-CD 4.41Å; V61-K65 WeakPolarHBondContact O-CB 3.35Å; V61-K65 WeakPolarHBondContact O-CG 3.3Å; V61-K65 PolarHBondContact O-N 3Å; V61-I134 HydrophobicContact CB-CG2 4.45Å; V61-I134 HydrophobicContact CG1-CD1 4.32Å; V61-I134 HydrophobicContact CG1-CG2 4.16Å; V61-I134 HydrophobicContact CG2-CG2 3.76Å
62	S	50.4	Low	47.1	Very low	60 Å²	60	75.2 Å²	75.2	42%	0.42	41%	0.414	S	S	.	.	H	α-helix	trans	-67.2	-38.5	179.4	-41.9	0	0	0	0	112.4	N59 I60 K65 A66	N59-S62 PolarHBondContact O-N 3.16Å; N59-S62 WeakPolarHBondContact OD1-CB 3.34Å; N59-S62 PolarHBondContact OD1-OG 2.95Å; I60-S62 VanDerWaalsContact C-N 3.27Å; I60-S62 PolarHBondContact O-N 3.31Å; S62-K65 PolarHBondContact O-N 2.68Å; S62-A66 WeakPolarHBondContact O-CB 3.45Å; S62-A66 PolarHBondContact O-N 3.38Å
63	R	52.3	Low	48.4	Very low	76 Å²	76	75.6 Å²	75.6	29%	0.287	41%	0.411	S	S	.	.	H	α-helix	trans	-67.1	-44.5	174.5	-70.4	-170.1	-166.5	146.1	6.6	111.8	C52 I54 N59 I60 K65 A66 Y67	C52-R63 PolarHBondContact SG-NH1 3.02Å; I54-R63 PolarHBondContact O-NH2 2.97Å; N59-R63 PolarHBondContact O-N 2.66Å; N59-R63 VanDerWaalsContact O-N 3.09Å; I60-R63 PolarHBondContact O-N 3.49Å; R63-K65 VanDerWaalsContact C-N 3.29Å; R63-K65 PolarHBondContact O-N 2.67Å; R63-A66 PolarHBondContact O-N 3.44Å; R63-A66 VanDerWaalsContact O-N 3.14Å; R63-Y67 HydrophobicContact CB-CD2 4.45Å; R63-Y67 HydrophobicContact CB-CE2 4.19Å; R63-Y67 WeakPolarHBondContact O-CD2 3.24Å; R63-Y67 PolarHBondContact O-N 3.31Å
64	L	52.2	Low	49.8	Very low	11 Å²	11	66.7 Å²	66.7	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-31.1	177	-71.5	169.9	0	0	0	112.3	I60 V61 S68 L130 I134	I60-L64 HydrophobicContact CG2-CD1 3.96Å; I60-L64 PolarHBondContact O-N 3.43Å; V61-L64 PolarHBondContact O-N 3.26Å; L64-S68 WeakPolarHBondContact O-CB 3.5Å; L64-S68 PolarHBondContact O-N 3.13Å; L64-L130 HydrophobicContact CD2-CD2 4.35Å; L64-I134 HydrophobicContact CB-CD1 3.74Å; L64-I134 HydrophobicContact CB-CG1 4.17Å; L64-I134 HydrophobicContact CD1-CD1 4.21Å; L64-I134 HydrophobicContact CD1-CG1 3.66Å
65	K	56.1	Low	51.2	Low	117 Å²	117	60.8 Å²	60.8	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-47.1	166.2	-75.9	178.7	178.5	-177	0	112.4	V61 S62 R63 Y67 S68 E69	V61-K65 HydrophobicContact CG1-CD 4.41Å; V61-K65 WeakPolarHBondContact O-CB 3.35Å; V61-K65 WeakPolarHBondContact O-CG 3.3Å; V61-K65 PolarHBondContact O-N 3Å; S62-K65 PolarHBondContact O-N 2.68Å; R63-K65 VanDerWaalsContact C-N 3.29Å; R63-K65 PolarHBondContact O-N 2.67Å; K65-Y67 VanDerWaalsContact C-N 3.34Å; K65-Y67 PolarHBondContact O-N 2.94Å; K65-S68 PolarHBondContact O-N 2.95Å; K65-S68 VanDerWaalsContact O-N 3.15Å; K65-S68 PolarHBondContact O-OG 3.37Å; K65-E69 PolarHBondContact O-N 3.01Å
66	A	58.1	Low	52.7	Low	54 Å²	54	65.8 Å²	65.8	45%	0.446	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-42.7	177.9	0	0	0	0	0	111.9	S62 R63 E69 V70	S62-A66 WeakPolarHBondContact O-CB 3.45Å; S62-A66 PolarHBondContact O-N 3.38Å; R63-A66 PolarHBondContact O-N 3.44Å; R63-A66 VanDerWaalsContact O-N 3.14Å; A66-E69 PolarHBondContact O-N 3.4Å; A66-V70 WeakPolarHBondContact O-CG2 3.36Å; A66-V70 PolarHBondContact O-N 3.23Å
67	Y	58.1	Low	54	Low	89 Å²	89	66.6 Å²	66.6	35%	0.349	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-36.3	173.4	-65.7	-45.2	0	0	0	112.4	R63 K65 V70 V71	R63-Y67 HydrophobicContact CB-CD2 4.45Å; R63-Y67 HydrophobicContact CB-CE2 4.19Å; R63-Y67 WeakPolarHBondContact O-CD2 3.24Å; R63-Y67 PolarHBondContact O-N 3.31Å; K65-Y67 VanDerWaalsContact C-N 3.34Å; K65-Y67 PolarHBondContact O-N 2.94Å; Y67-V70 PolarHBondContact O-N 3.15Å; Y67-V71 WeakPolarHBondContact O-CB 3.32Å; Y67-V71 VanDerWaalsContact O-CG2 3.3Å; Y67-V71 WeakPolarHBondContact O-CG2 3.38Å; Y67-V71 PolarHBondContact O-N 3.18Å
68	S	58.7	Low	55	Low	4 Å²	4	65.1 Å²	65.1	3%	0.028	35%	0.349	C	S	.	.	H	α-helix	trans	-69.9	-33.3	175.7	77.5	0	0	0	0	112.9	L64 K65 K72	L64-S68 WeakPolarHBondContact O-CB 3.5Å; L64-S68 PolarHBondContact O-N 3.13Å; K65-S68 PolarHBondContact O-N 2.95Å; K65-S68 VanDerWaalsContact O-N 3.15Å; K65-S68 PolarHBondContact O-OG 3.37Å; S68-K72 WeakPolarHBondContact O-CB 3.36Å; S68-K72 WeakPolarHBondContact O-CD 3.23Å; S68-K72 WeakPolarHBondContact O-CG 3.31Å; S68-K72 PolarHBondContact O-N 3.49Å
69	E	61.9	Low	55.9	Low	92 Å²	92	64.1 Å²	64.1	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-37.5	170.1	-59.3	-45.6	135.5	0	0	112.5	K65 A66 K72 D73	K65-E69 PolarHBondContact O-N 3.01Å; A66-E69 PolarHBondContact O-N 3.4Å; E69-K72 VanDerWaalsContact CD-NZ 3.33Å; E69-K72 PolarHBondContact O-N 2.97Å; E69-K72 IonicContact OE1-NZ 2.71Å; E69-K72 PolarHBondContact OE1-NZ 3.12Å; E69-K72 VanDerWaalsContact OE2-CD 3.29Å; E69-K72 WeakPolarHBondContact OE2-CD 3.27Å; E69-K72 IonicContact OE2-NZ 3.46Å; E69-K72 PolarHBondContact OE2-NZ 3.38Å; E69-D73 WeakPolarHBondContact O-CB 3.45Å; E69-D73 PolarHBondContact O-N 3.3Å
70	V	61.6	Low	56	Low	78 Å²	78	61.3 Å²	61.3	47%	0.473	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-42.4	172.8	171	0	0	0	0	111.8	A66 Y67 D73 L74	A66-V70 WeakPolarHBondContact O-CG2 3.36Å; A66-V70 PolarHBondContact O-N 3.23Å; Y67-V70 PolarHBondContact O-N 3.15Å; V70-D73 PolarHBondContact O-N 3.03Å; V70-L74 HydrophobicContact CG1-CD1 3.95Å; V70-L74 HydrophobicContact CG1-CG 4.49Å; V70-L74 WeakPolarHBondContact O-CB 3.41Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 3.47Å
71	V	57.2	Low	56.2	Low	5 Å²	5	62.9 Å²	62.9	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-38.9	176.3	169.4	0	0	0	0	111.2	Y67 A75 L80 L83 L126	Y67-V71 WeakPolarHBondContact O-CB 3.32Å; Y67-V71 VanDerWaalsContact O-CG2 3.3Å; Y67-V71 WeakPolarHBondContact O-CG2 3.38Å; Y67-V71 PolarHBondContact O-N 3.18Å; V71-A75 VanDerWaalsContact O-CB 3.27Å; V71-A75 WeakPolarHBondContact O-CB 3.4Å; V71-A75 PolarHBondContact O-N 3.32Å; V71-L80 HydrophobicContact CG1-CD2 3.87Å; V71-L83 HydrophobicContact CG2-CD1 3.99Å; V71-L126 HydrophobicContact CG1-CD1 4.22Å
72	K	60.5	Low	56.1	Low	33 Å²	33	61.3 Å²	61.3	14%	0.143	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-40.9	171.8	-74.8	163.8	-173.5	174.3	0	112.8	S68 E69 A75 R76 G123	S68-K72 WeakPolarHBondContact O-CB 3.36Å; S68-K72 WeakPolarHBondContact O-CD 3.23Å; S68-K72 WeakPolarHBondContact O-CG 3.31Å; S68-K72 PolarHBondContact O-N 3.49Å; E69-K72 VanDerWaalsContact CD-NZ 3.33Å; E69-K72 PolarHBondContact O-N 2.97Å; E69-K72 IonicContact OE1-NZ 2.71Å; E69-K72 PolarHBondContact OE1-NZ 3.12Å; E69-K72 VanDerWaalsContact OE2-CD 3.29Å; E69-K72 WeakPolarHBondContact OE2-CD 3.27Å; E69-K72 IonicContact OE2-NZ 3.46Å; E69-K72 PolarHBondContact OE2-NZ 3.38Å; K72-A75 PolarHBondContact O-N 2.91Å; K72-R76 WeakPolarHBondContact O-CB 3.47Å; K72-R76 WeakPolarHBondContact O-CG 3.39Å; K72-R76 PolarHBondContact O-N 2.88Å; K72-G123 VanDerWaalsContact CG-O 3.28Å; K72-G123 WeakPolarHBondContact CG-O 3.27Å
73	D	60	Low	56	Low	78 Å²	78	59.7 Å²	59.7	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-46.8	178.6	-175.6	39.5	0	0	0	110.8	E69 V70 A75 R76 Q77	E69-D73 WeakPolarHBondContact O-CB 3.45Å; E69-D73 PolarHBondContact O-N 3.3Å; V70-D73 PolarHBondContact O-N 3.03Å; D73-A75 VanDerWaalsContact C-N 3.32Å; D73-A75 PolarHBondContact O-N 2.78Å; D73-R76 PolarHBondContact O-N 3.47Å; D73-Q77 WeakPolarHBondContact O-CB 3.5Å; D73-Q77 VanDerWaalsContact O-CG 3.25Å; D73-Q77 WeakPolarHBondContact O-CG 3.37Å; D73-Q77 PolarHBondContact O-N 2.91Å; D73-Q77 PolarHBondContact OD1-NE2 2.67Å; D73-Q77 PolarHBondContact OD2-NE2 2.85Å
74	L	57.6	Low	55.8	Low	23 Å²	23	57.5 Å²	57.5	12%	0.12	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-34	173.8	-68.2	170.1	0	0	0	113.2	V70 G78 R79 L80 V157 V159	V70-L74 HydrophobicContact CG1-CD1 3.95Å; V70-L74 HydrophobicContact CG1-CG 4.49Å; V70-L74 WeakPolarHBondContact O-CB 3.41Å; V70-L74 WeakPolarHBondContact O-CG 3.44Å; V70-L74 PolarHBondContact O-N 3.47Å; L74-G78 PolarHBondContact O-N 2.91Å; L74-R79 HydrophobicContact CD2-CB 4.48Å; L74-R79 PolarHBondContact O-N 2.9Å; L74-L80 HydrophobicContact CB-CB 4.21Å; L74-L80 PolarHBondContact O-N 3.09Å; L74-V157 HydrophobicContact CD1-CG1 3.99Å; L74-V159 HydrophobicContact CD1-CG1 3.86Å; L74-V159 HydrophobicContact CD2-CG1 4.03Å; L74-V159 HydrophobicContact CG-CG1 4.42Å
75	A	54.7	Low	55.7	Low	7 Å²	7	58.9 Å²	58.9	6%	0.058	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-46.1	172.7	0	0	0	0	0	112	V71 K72 D73 Q77 G78 L80	V71-A75 VanDerWaalsContact O-CB 3.27Å; V71-A75 WeakPolarHBondContact O-CB 3.4Å; V71-A75 PolarHBondContact O-N 3.32Å; K72-A75 PolarHBondContact O-N 2.91Å; D73-A75 VanDerWaalsContact C-N 3.32Å; D73-A75 PolarHBondContact O-N 2.78Å; A75-Q77 VanDerWaalsContact C-N 3.27Å; A75-Q77 PolarHBondContact O-N 2.79Å; A75-G78 WeakPolarHBondContact O-CA 3.49Å; A75-G78 PolarHBondContact O-N 2.97Å; A75-L80 HydrophobicContact CB-CB 4.4Å; A75-L80 HydrophobicContact CB-CD2 4Å
76	R	58.7	Low	55.3	Low	192 Å²	192	54.1 Å²	54.1	73%	0.725	29%	0.288	S	S	*	.	H	α-helix	trans	-62	-32.6	175.5	-76.2	167.9	174.8	165	-1.9	113.1	K72 D73 G78	K72-R76 WeakPolarHBondContact O-CB 3.47Å; K72-R76 WeakPolarHBondContact O-CG 3.39Å; K72-R76 PolarHBondContact O-N 2.88Å; D73-R76 PolarHBondContact O-N 3.47Å; R76-G78 PolarHBondContact O-N 3.43Å
77	Q	59.4	Low	54.9	Low	86 Å²	86	54.2 Å²	54.2	40%	0.402	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3	173.1	-70.5	170.7	30.5	0	0	113	D73 A75 R79	D73-Q77 WeakPolarHBondContact O-CB 3.5Å; D73-Q77 VanDerWaalsContact O-CG 3.25Å; D73-Q77 WeakPolarHBondContact O-CG 3.37Å; D73-Q77 PolarHBondContact O-N 2.91Å; D73-Q77 PolarHBondContact OD1-NE2 2.67Å; D73-Q77 PolarHBondContact OD2-NE2 2.85Å; A75-Q77 VanDerWaalsContact C-N 3.27Å; A75-Q77 PolarHBondContact O-N 2.79Å; Q77-R79 HydrophobicContact CB-CB 4.33Å; Q77-R79 HydrophobicContact CB-CG 4.1Å; Q77-R79 PolarHBondContact O-N 3.46Å
78	G	55.7	Low	54.5	Low	61 Å²	61	55.2 Å²	55.2	63%	0.629	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	13.1	-173.9	0	0	0	0	0	114.1	L74 A75 R76	L74-G78 PolarHBondContact O-N 2.91Å; A75-G78 WeakPolarHBondContact O-CA 3.49Å; A75-G78 PolarHBondContact O-N 2.97Å; R76-G78 PolarHBondContact O-N 3.43Å
79	R	57.6	Low	54.2	Low	86 Å²	86	57.4 Å²	57.4	33%	0.325	31%	0.313	S	S	.	.			trans	-94.9	-20.3	-172.3	-74.2	174.8	67.8	-156.2	6.8	113.9	L74 Q77 I81 V159 N160 D161	L74-R79 HydrophobicContact CD2-CB 4.48Å; L74-R79 PolarHBondContact O-N 2.9Å; Q77-R79 HydrophobicContact CB-CB 4.33Å; Q77-R79 HydrophobicContact CB-CG 4.1Å; Q77-R79 PolarHBondContact O-N 3.46Å; R79-I81 PolarHBondContact O-N 2.89Å; R79-V159 CarbonylContact O-C 3.57Å; R79-V159 WeakPolarHBondContact O-CA 3.2Å; R79-N160 PolarHBondContact NE-O 3.5Å; R79-N160 PolarHBondContact O-N 2.97Å; R79-D161 IonicContact CZ-OD1 2.73Å; R79-D161 IonicContact NH2-OD1 3.16Å; R79-D161 PolarHBondContact NH2-OD1 3.05Å
80	L	51.3	Low	53.6	Low	28 Å²	28	54.6 Å²	54.6	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	112.1	178.7	-179.6	66	0	0	0	111	V71 L74 A75 L126 V157	V71-L80 HydrophobicContact CG1-CD2 3.87Å; L74-L80 HydrophobicContact CB-CB 4.21Å; L74-L80 PolarHBondContact O-N 3.09Å; A75-L80 HydrophobicContact CB-CB 4.4Å; A75-L80 HydrophobicContact CB-CD2 4Å; L80-L126 HydrophobicContact CD2-CD1 4.47Å; L80-V157 HydrophobicContact CD1-CG1 3.43Å; L80-V157 VanDerWaalsContact CD1-CG1 3.43Å
81	I	48.3	Very low	53.1	Low	82 Å²	82	58 Å²	58	42%	0.421	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-43.3	176.5	-53.5	173.4	0	0	0	110.8	A14 R79 L158 N160	A14-I81 VanDerWaalsContact CB-O 3.22Å; A14-I81 WeakPolarHBondContact CB-O 3.23Å; R79-I81 PolarHBondContact O-N 2.89Å; I81-L158 HydrophobicContact CB-CB 4.27Å; I81-L158 HydrophobicContact CB-CD2 4.14Å; I81-L158 HydrophobicContact CB-CG 4.48Å; I81-L158 HydrophobicContact CD1-CD2 4.42Å; I81-L158 HydrophobicContact CG2-CD2 3.97Å; I81-L158 PolarHBondContact N-O 2.83Å; I81-N160 HydrophobicContact CD1-CB 4.08Å; I81-N160 HydrophobicContact CG1-CB 4.4Å
82	A	48.5	Very low	52.7	Low	26 Å²	26	67.8 Å²	67.8	22%	0.215	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.8	-177.9	0	0	0	0	0	112.7	L158	A82-L158 HydrophobicContact CB-CB 3.93Å; A82-L158 PolarHBondContact N-O 3.06Å; A82-L158 PolarHBondContact O-N 3.29Å
83	L	46.9	Very low	52.3	Low	26 Å²	26	70.8 Å²	70.8	14%	0.136	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.6	174.7	-172.4	75.4	0	0	0	109.8	V71 L126 V155 M156 V157	V71-L83 HydrophobicContact CG2-CD1 3.99Å; L83-L126 HydrophobicContact CD2-CD1 4.08Å; L83-L126 HydrophobicContact CD2-CD2 4.05Å; L83-V155 HydrophobicContact CD1-CG1 3.63Å; L83-V155 HydrophobicContact CG-CG1 4.48Å; L83-M156 WeakPolarHBondContact CA-O 3.39Å; L83-V157 HydrophobicContact CD1-CG2 3.87Å
84	A	49.4	Very low	51.9	Low	29 Å²	29	69.9 Å²	69.9	24%	0.24	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.6	170.6	0	0	0	0	0	110.9	F18 M156	F18-A84 HydrophobicContact CD1-CB 4.02Å; F18-A84 HydrophobicContact CE1-CB 4.13Å; A84-M156 HydrophobicContact CB-CB 4.41Å; A84-M156 PolarHBondContact N-O 3.48Å; A84-M156 PolarHBondContact O-N 3.26Å
85	M	48.5	Very low	51.5	Low	40 Å²	40	70.9 Å²	70.9	20%	0.197	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	113.9	-171.9	-73.2	-170.5	70.4	0	0	112.8	V22 L130 D154 V155	V22-M85 WeakPolarHBondContact CG1-O 3.48Å; M85-L130 HydrophobicContact CE-CD2 3.49Å; M85-L130 VanDerWaalsContact CE-CD2 3.49Å; M85-L130 HydrophobicContact SD-CD2 3.67Å; M85-D154 CarbonylContact C-O 3.57Å; M85-D154 WeakPolarHBondContact CA-O 3.48Å; M85-V155 HydrophobicContact CE-CG2 4.06Å; M85-V155 HydrophobicContact CG-CG1 4.14Å; M85-V155 HydrophobicContact CG-CG2 4.17Å
86	S	48.6	Very low	51.2	Low	18 Å²	18	74.6 Å²	74.6	13%	0.126	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	147.1	170.3	-169.4	0	0	0	0	112.2	V22 F153 D154	V22-S86 WeakPolarHBondContact CG2-OG 3.4Å; S86-F153 VanDerWaalsContact O-CA 3.32Å; S86-F153 WeakPolarHBondContact O-CA 3.35Å; S86-D154 PolarHBondContact N-O 3.04Å; S86-D154 PolarHBondContact O-N 2.95Å
87	V	50.2	Low	50.7	Low	55 Å²	55	70.2 Å²	70.2	33%	0.333	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.7	163.7	-167.7	0	0	0	0	107.6	V151 F153	V87-V151 HydrophobicContact CG1-CG1 3.63Å; V87-F153 HydrophobicContact CB-CD1 4.46Å; V87-F153 HydrophobicContact CB-CE1 4.2Å; V87-F153 HydrophobicContact CG1-CD1 4.29Å; V87-F153 HydrophobicContact CG1-CE1 3.7Å; V87-F153 HydrophobicContact CG1-CZ 3.94Å; V87-F153 HydrophobicContact CG2-CD1 3.79Å; V87-F153 HydrophobicContact CG2-CE1 3.55Å
88	K	50.1	Low	50	Low	110 Å²	110	73.8 Å²	73.8	48%	0.478	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149	178.5	-67.6	166.1	178.3	167.5	0	109.8	V151 T152 D154	K88-V151 VanDerWaalsContact O-CA 3.29Å; K88-V151 WeakPolarHBondContact O-CA 3.26Å; K88-T152 PolarHBondContact N-O 3.42Å; K88-T152 PolarHBondContact O-N 2.85Å; K88-D154 VanDerWaalsContact CE-OD2 3.26Å; K88-D154 WeakPolarHBondContact CE-OD2 3.36Å; K88-D154 IonicContact NZ-OD2 3.4Å; K88-D154 PolarHBondContact NZ-OD2 2.79Å
89	G	50.5	Low	49.4	Very low	51 Å²	51	77.7 Å²	77.7	53%	0.526	39%	0.394	S	S	.	.	S	Bend	trans	93	4.2	171.8	0	0	0	0	0	117	A150	G89-A150 WeakPolarHBondContact CA-O 3.12Å
90	V	50.7	Low	49	Very low	33 Å²	33	75.7 Å²	75.7	20%	0.2	39%	0.387	C	S	.	.			trans	-106.1	135	165.7	-174.3	0	0	0	0	108.1	D94 I95 I146 V151	V90-D94 HydrophobicContact CG1-CB 4.2Å; V90-I95 HydrophobicContact CB-CD1 4.45Å; V90-I95 HydrophobicContact CG1-CD1 3.74Å; V90-I95 HydrophobicContact CG1-CG1 3.68Å; V90-I146 HydrophobicContact CG1-CD1 3.98Å; V90-V151 HydrophobicContact CG2-CB 4.43Å; V90-V151 HydrophobicContact CG2-CG1 3.98Å; V90-V151 HydrophobicContact CG2-CG2 3.62Å
91	K	51.6	Low	48.7	Very low	150 Å²	150	77.6 Å²	77.6	65%	0.652	40%	0.396	S	S	*	.			trans	-83.8	148.3	174.4	-58.1	175.8	179.8	175.4	0	109.7	S93 D94	K91-S93 WeakPolarHBondContact CB-OG 3.28Å; K91-S93 PolarHBondContact O-N 3.13Å; K91-S93 VanDerWaalsContact O-N 3.08Å; K91-D94 VanDerWaalsContact CB-OD2 3.31Å; K91-D94 WeakPolarHBondContact CB-OD2 3.31Å; K91-D94 PolarHBondContact N-OD2 2.8Å; K91-D94 WeakPolarHBondContact O-CB 3.25Å; K91-D94 PolarHBondContact O-N 3.28Å
92	R	47.7	Very low	48.5	Very low	209 Å²	209	78.8 Å²	78.8	79%	0.789	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-58.9	-22.1	178.3	-173.1	173.8	176.1	-176.2	-1.4	113.7	D94	R92-D94 VanDerWaalsContact C-N 3.26Å; R92-D94 PolarHBondContact O-N 3.26Å
93	S	52.3	Low	48.5	Very low	97 Å²	97	80.9 Å²	80.9	68%	0.678	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-65.7	-24.6	172.5	42.8	0	0	0	0	114.1	K91	K91-S93 WeakPolarHBondContact CB-OG 3.28Å; K91-S93 PolarHBondContact O-N 3.13Å; K91-S93 VanDerWaalsContact O-N 3.08Å
94	D	51.5	Low	48.5	Very low	58 Å²	58	79.7 Å²	79.7	31%	0.31	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-97.5	-3.9	-161.7	-43.8	-20.8	0	0	0	112.2	V90 K91 R92 I146	V90-D94 HydrophobicContact CG1-CB 4.2Å; K91-D94 VanDerWaalsContact CB-OD2 3.31Å; K91-D94 WeakPolarHBondContact CB-OD2 3.31Å; K91-D94 PolarHBondContact N-OD2 2.8Å; K91-D94 WeakPolarHBondContact O-CB 3.25Å; K91-D94 PolarHBondContact O-N 3.28Å; R92-D94 VanDerWaalsContact C-N 3.26Å; R92-D94 PolarHBondContact O-N 3.26Å; D94-I146 HydrophobicContact CB-CD1 3.83Å
95	I	49.9	Very low	48.3	Very low	45 Å²	45	81.8 Å²	81.8	23%	0.231	40%	0.404	C	S	.	.	S	Bend	trans	-117.1	116.1	-178	-51.8	177	0	0	0	109.7	V90 F97 Y100 I140	V90-I95 HydrophobicContact CB-CD1 4.45Å; V90-I95 HydrophobicContact CG1-CD1 3.74Å; V90-I95 HydrophobicContact CG1-CG1 3.68Å; I95-F97 VanDerWaalsContact C-N 3.33Å; I95-F97 PolarHBondContact O-N 3.43Å; I95-Y100 HydrophobicContact CG2-CD2 3.87Å; I95-Y100 HydrophobicContact CG2-CG 3.85Å; I95-I140 HydrophobicContact CG2-CD1 4.45Å
96	P	47.7	Very low	48.2	Very low	85 Å²	85	80.8 Å²	80.8	55%	0.552	40%	0.404	S	S	*	.			trans	-66.5	89.7	167.8	-20.8	34.3	0	0	0	110.7	E98 R99 Y100	P96-E98 PolarHBondContact O-N 2.96Å; P96-R99 HydrophobicContact CB-CB 4.29Å; P96-R99 WeakPolarHBondContact O-CB 3.45Å; P96-R99 PolarHBondContact O-N 2.91Å; P96-R99 VanDerWaalsContact O-N 3.1Å; P96-Y100 PolarHBondContact O-N 3.31Å
97	F	48.5	Very low	47.9	Very low	100 Å²	100	84.9 Å²	84.9	44%	0.439	43%	0.425	S	S	.	.	H	α-helix	trans	-52.3	-47.5	-162.9	-175.1	-99.8	0	0	0	114.8	F23 I95 R99 Y100 M101	F23-F97 HydrophobicContact CE1-CE2 4.07Å; F23-F97 HydrophobicContact CE2-CE2 4.19Å; F23-F97 AromaticContact CZ-CE2 3.91Å; F23-F97 HydrophobicContact CZ-CE2 3.91Å; I95-F97 VanDerWaalsContact C-N 3.33Å; I95-F97 PolarHBondContact O-N 3.43Å; F97-R99 PolarHBondContact O-N 2.88Å; F97-Y100 WeakPolarHBondContact O-CB 3.22Å; F97-Y100 PolarHBondContact O-N 2.94Å; F97-M101 HydrophobicContact CE1-CG 4.26Å; F97-M101 HydrophobicContact CZ-CG 4.37Å; F97-M101 WeakPolarHBondContact O-CG 2.99Å; F97-M101 PolarHBondContact O-N 2.75Å
98	E	43.7	Very low	47.3	Very low	160 Å²	160	86.6 Å²	86.6	75%	0.748	44%	0.436	S	S	*	.	H	α-helix	trans	-66.5	-37.8	-178.3	-61.2	177.4	139.8	0	0	112.3	P96 M101 M102	P96-E98 PolarHBondContact O-N 2.96Å; E98-M101 PolarHBondContact O-N 2.76Å; E98-M102 PolarHBondContact O-N 2.81Å; E98-M102 VanDerWaalsContact O-N 3.08Å
99	R	44.8	Very low	46.8	Very low	143 Å²	143	85.5 Å²	85.5	54%	0.54	44%	0.442	S	S	.	.	H	α-helix	trans	-66.9	-44.3	175.8	-177.2	178.2	178.6	130.2	16.9	111.1	P96 F97 M101 M102 E103	P96-R99 HydrophobicContact CB-CB 4.29Å; P96-R99 WeakPolarHBondContact O-CB 3.45Å; P96-R99 PolarHBondContact O-N 2.91Å; P96-R99 VanDerWaalsContact O-N 3.1Å; F97-R99 PolarHBondContact O-N 2.88Å; R99-M101 VanDerWaalsContact C-N 3.33Å; R99-M101 PolarHBondContact O-N 2.66Å; R99-M102 PolarHBondContact O-N 3.25Å; R99-E103 HydrophobicContact CG-CG 4.28Å; R99-E103 IonicContact CZ-OE1 3.45Å; R99-E103 IonicContact NE-OE1 2.77Å; R99-E103 PolarHBondContact NE-OE1 2.94Å; R99-E103 IonicContact NE-OE2 3.58Å; R99-E103 IonicContact NH2-OE1 2.71Å; R99-E103 PolarHBondContact NH2-OE1 3.44Å; R99-E103 WeakPolarHBondContact O-CB 3.35Å; R99-E103 WeakPolarHBondContact O-CG 3.15Å; R99-E103 PolarHBondContact O-N 3.34Å
100	Y	48.7	Very low	46.2	Very low	44 Å²	44	85.1 Å²	85.1	17%	0.173	43%	0.431	C	S	.	.	H	α-helix	trans	-57	-45.8	175	176.6	-89.6	0	0	0	111.4	I95 P96 F97 E103 V104 L133 V136 I140	I95-Y100 HydrophobicContact CG2-CD2 3.87Å; I95-Y100 HydrophobicContact CG2-CG 3.85Å; P96-Y100 PolarHBondContact O-N 3.31Å; F97-Y100 WeakPolarHBondContact O-CB 3.22Å; F97-Y100 PolarHBondContact O-N 2.94Å; Y100-E103 PolarHBondContact O-N 3.38Å; Y100-V104 HydrophobicContact CE1-CG2 4.35Å; Y100-V104 HydrophobicContact CE2-CG2 4.33Å; Y100-V104 WeakPolarHBondContact O-CB 3.43Å; Y100-V104 VanDerWaalsContact O-CG2 3.31Å; Y100-V104 WeakPolarHBondContact O-CG2 3.44Å; Y100-V104 PolarHBondContact O-N 2.9Å; Y100-L133 HydrophobicContact CE2-CD2 4.31Å; Y100-L133 WeakPolarHBondContact OH-CD2 3.26Å; Y100-V136 HydrophobicContact CD2-CG1 3.66Å; Y100-V136 HydrophobicContact CE2-CG1 4.19Å; Y100-I140 HydrophobicContact CD2-CD1 4.26Å
101	M	44.7	Very low	45.5	Very low	68 Å²	68	85.9 Å²	85.9	34%	0.335	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-43.9	177.5	-70.2	-59.7	-66	0	0	112.6	F97 E98 R99 F105	F97-M101 HydrophobicContact CE1-CG 4.26Å; F97-M101 HydrophobicContact CZ-CG 4.37Å; F97-M101 WeakPolarHBondContact O-CG 2.99Å; F97-M101 PolarHBondContact O-N 2.75Å; E98-M101 PolarHBondContact O-N 2.76Å; R99-M101 VanDerWaalsContact C-N 3.33Å; R99-M101 PolarHBondContact O-N 2.66Å; M101-F105 HydrophobicContact CE-CD2 3.73Å; M101-F105 HydrophobicContact CE-CE2 3.94Å; M101-F105 PolarHBondContact O-N 3.01Å; M101-F105 HydrophobicContact SD-CD2 4.11Å; M101-F105 HydrophobicContact SD-CE2 4.04Å
102	M	43.2	Very low	44.6	Very low	108 Å²	108	89.4 Å²	89.4	53%	0.532	44%	0.443	S	S	.	.	H	α-helix	trans	-67.2	-39.9	177.1	-72.8	-165.2	-66.1	0	0	113.3	E98 R99 G106	E98-M102 PolarHBondContact O-N 2.81Å; E98-M102 VanDerWaalsContact O-N 3.08Å; R99-M102 PolarHBondContact O-N 3.25Å; M102-G106 WeakPolarHBondContact O-CA 3.19Å; M102-G106 PolarHBondContact O-N 2.79Å
103	E	48.2	Very low	44.1	Very low	70 Å²	70	86.2 Å²	86.2	33%	0.327	44%	0.441	S	S	.	.	H	α-helix	trans	-73.8	-31.3	-178.9	-70.4	178.5	168.2	0	0	112.5	R99 Y100 V136	R99-E103 HydrophobicContact CG-CG 4.28Å; R99-E103 IonicContact CZ-OE1 3.45Å; R99-E103 IonicContact NE-OE1 2.77Å; R99-E103 PolarHBondContact NE-OE1 2.94Å; R99-E103 IonicContact NE-OE2 3.58Å; R99-E103 IonicContact NH2-OE1 2.71Å; R99-E103 PolarHBondContact NH2-OE1 3.44Å; R99-E103 WeakPolarHBondContact O-CB 3.35Å; R99-E103 WeakPolarHBondContact O-CG 3.15Å; R99-E103 PolarHBondContact O-N 3.34Å; Y100-E103 PolarHBondContact O-N 3.38Å; E103-V136 HydrophobicContact CB-CG2 3.55Å
104	V	47.9	Very low	43.3	Very low	0 Å²	0	89 Å²	89	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-78.9	-57.5	174.9	177.7	0	0	0	0	111.5	Y100 I129 R132 L133 V136	Y100-V104 HydrophobicContact CE1-CG2 4.35Å; Y100-V104 HydrophobicContact CE2-CG2 4.33Å; Y100-V104 WeakPolarHBondContact O-CB 3.43Å; Y100-V104 VanDerWaalsContact O-CG2 3.31Å; Y100-V104 WeakPolarHBondContact O-CG2 3.44Å; Y100-V104 PolarHBondContact O-N 2.9Å; V104-I129 HydrophobicContact CG1-CG2 4.05Å; V104-R132 WeakPolarHBondContact O-CD 3.4Å; V104-R132 PolarHBondContact O-NH1 2.76Å; V104-L133 HydrophobicContact CG1-CD2 4.1Å; V104-L133 HydrophobicContact CG1-CG 4.01Å; V104-L133 HydrophobicContact CG2-CD2 3.76Å; V104-L133 HydrophobicContact CG2-CG 4.23Å; V104-V136 HydrophobicContact CG2-CG2 4.23Å
105	F	45.8	Very low	42.6	Very low	73 Å²	73	91.7 Å²	91.7	32%	0.32	44%	0.444	S	S	.	.	H	α-helix	trans	-99.4	-10.3	-167.9	-59.7	-76	0	0	0	114.7	M101 I111 I129	M101-F105 HydrophobicContact CE-CD2 3.73Å; M101-F105 HydrophobicContact CE-CE2 3.94Å; M101-F105 PolarHBondContact O-N 3.01Å; M101-F105 HydrophobicContact SD-CD2 4.11Å; M101-F105 HydrophobicContact SD-CE2 4.04Å; F105-I111 HydrophobicContact CB-CD1 3.68Å; F105-I129 HydrophobicContact CD1-CD1 4.39Å; F105-I129 HydrophobicContact CE1-CD1 4.28Å; F105-I129 HydrophobicContact CE1-CG2 4.07Å
106	G	45	Very low	41.8	Very low	20 Å²	20	100.7 Å²	100.7	21%	0.206	48%	0.475	C	S	.	.			trans	83.9	-173.4	-175.7	0	0	0	0	0	113.3	M102 T108	M102-G106 WeakPolarHBondContact O-CA 3.19Å; M102-G106 PolarHBondContact O-N 2.79Å; G106-T108 PolarHBondContact O-N 2.8Å
107	N	42.4	Very low	41.2	Very low	104 Å²	104	98 Å²	98	56%	0.556	46%	0.456	S	S	*	.			trans	-67.4	126.1	-178	-166.4	-8.5	0	0	0	110.8	S109 S110	N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 3.02Å; N107-S110 PolarHBondContact O-N 3.18Å; N107-S110 PolarHBondContact O-OG 2.81Å
108	T	38.1	Very low	40.7	Very low	91 Å²	91	100.5 Å²	100.5	56%	0.558	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-65.1	-27.4	-162.6	50	0	0	0	0	114.1	G106 S110 I111	G106-T108 PolarHBondContact O-N 2.8Å; T108-S110 PolarHBondContact O-N 3.36Å; T108-I111 HydrophobicContact CG2-CD1 4.22Å; T108-I111 WeakPolarHBondContact O-CB 3.1Å; T108-I111 PolarHBondContact O-N 2.96Å; T108-I111 VanDerWaalsContact O-N 3.16Å
109	S	39.1	Very low	40.7	Very low	87 Å²	87	94.8 Å²	94.8	61%	0.608	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-56	-35.9	171.9	54.7	0	0	0	0	112.6	N107 I111	N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 3.02Å; S109-I111 VanDerWaalsContact C-N 3.34Å; S109-I111 PolarHBondContact O-N 3.4Å
110	S	38.6	Very low	40.6	Very low	43 Å²	43	94 Å²	94	30%	0.301	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-86.5	0.7	-178.2	79.3	0	0	0	0	115	N107 T108 R114	N107-S110 PolarHBondContact O-N 3.18Å; N107-S110 PolarHBondContact O-OG 2.81Å; T108-S110 PolarHBondContact O-N 3.36Å; S110-R114 PolarHBondContact O-NE 2.87Å; S110-R114 PolarHBondContact OG-NH2 3.27Å; S110-R114 VanDerWaalsContact OG-NH2 3.1Å
111	I	35.9	Very low	40.5	Very low	49 Å²	49	93.9 Å²	93.9	25%	0.251	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-37.6	176.5	-59.6	178.7	0	0	0	110.1	F105 T108 S109 D113 R114 Y115	F105-I111 HydrophobicContact CB-CD1 3.68Å; T108-I111 HydrophobicContact CG2-CD1 4.22Å; T108-I111 WeakPolarHBondContact O-CB 3.1Å; T108-I111 PolarHBondContact O-N 2.96Å; T108-I111 VanDerWaalsContact O-N 3.16Å; S109-I111 VanDerWaalsContact C-N 3.34Å; S109-I111 PolarHBondContact O-N 3.4Å; I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.39Å; I111-R114 PolarHBondContact O-N 3.27Å; I111-Y115 HydrophobicContact CG2-CD2 3.98Å; I111-Y115 HydrophobicContact CG2-CE2 3.93Å; I111-Y115 VanDerWaalsContact O-CD2 3.31Å; I111-Y115 WeakPolarHBondContact O-CD2 3.43Å
112	R	32.5	Very low	40.5	Very low	224 Å²	224	92.4 Å²	92.4	85%	0.845	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-38.6	-171.3	-162.3	176.6	-169.4	177.4	2.8	113.6
113	D	37.3	Very low	40.8	Very low	141 Å²	141	87.5 Å²	87.5	75%	0.754	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-18.2	-173	-54.8	-31.7	0	0	0	113.4	I111	I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.39Å
114	R	35.5	Very low	41	Very low	156 Å²	156	86.7 Å²	86.7	59%	0.589	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-17.1	-172.2	-115.3	-174.1	-68.6	-153.4	0.7	115	S110 I111 R116	S110-R114 PolarHBondContact O-NE 2.87Å; S110-R114 PolarHBondContact OG-NH2 3.27Å; S110-R114 VanDerWaalsContact OG-NH2 3.1Å; I111-R114 PolarHBondContact O-N 3.27Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 3.08Å
115	Y	36.6	Very low	41.1	Very low	115 Å²	115	89.8 Å²	89.8	45%	0.451	45%	0.452	S	S	.	.			trans	-91	25.6	-168.6	-79.8	-100.9	0	0	0	115.8	I111 L117	I111-Y115 HydrophobicContact CG2-CD2 3.98Å; I111-Y115 HydrophobicContact CG2-CE2 3.93Å; I111-Y115 VanDerWaalsContact O-CD2 3.31Å; I111-Y115 WeakPolarHBondContact O-CD2 3.43Å; Y115-L117 HydrophobicContact CD1-CD1 3.62Å; Y115-L117 HydrophobicContact CD1-CG 4.15Å; Y115-L117 HydrophobicContact CE1-CD1 3.55Å; Y115-L117 HydrophobicContact CE1-CG 4.48Å; Y115-L117 HydrophobicContact CG-CD1 4.39Å; Y115-L117 PolarHBondContact O-N 3.19Å
116	R	34.2	Very low	41.4	Very low	234 Å²	234	87.9 Å²	87.9	88%	0.883	45%	0.445	S	S	*	.			trans	-81.8	61.4	146.1	-75.9	-172.6	173.5	-174.7	-1.7	109.2	R114 H118	R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 3.08Å; R116-H118 PolarHBondContact O-N 3.21Å
117	L	34.9	Very low	41.8	Very low	29 Å²	29	87 Å²	87	15%	0.152	44%	0.436	C	S	.	.			trans	-75	115.6	-179.6	-71.2	177.7	0	0	0	110.4	Y115 A121 L122 D125	Y115-L117 HydrophobicContact CD1-CD1 3.62Å; Y115-L117 HydrophobicContact CD1-CG 4.15Å; Y115-L117 HydrophobicContact CE1-CD1 3.55Å; Y115-L117 HydrophobicContact CE1-CG 4.48Å; Y115-L117 HydrophobicContact CG-CD1 4.39Å; Y115-L117 PolarHBondContact O-N 3.19Å; L117-A121 HydrophobicContact CD2-CB 4.15Å; L117-L122 HydrophobicContact CB-CB 4.27Å; L117-L122 HydrophobicContact CB-CD1 4.48Å; L117-L122 HydrophobicContact CD1-CB 4.47Å; L117-L122 HydrophobicContact CD1-CD1 3.67Å; L117-D125 WeakPolarHBondContact CD2-OD2 3.25Å
118	H	37.6	Very low	42.4	Very low	152 Å²	152	85.3 Å²	85.3	70%	0.704	43%	0.427	S	S	*	.			trans	-60.3	147.9	159.7	-72.7	-94.4	0	0	0	109.8	R116 D120 A121 L122	R116-H118 PolarHBondContact O-N 3.21Å; H118-D120 PolarHBondContact O-N 2.93Å; H118-A121 PolarHBondContact O-N 3.41Å; H118-L122 PolarHBondContact O-N 2.94Å
119	S	43.2	Very low	43.1	Very low	39 Å²	39	82.1 Å²	82.1	27%	0.273	41%	0.406	S	S	.	.	H	α-helix	trans	-42.9	-42	-179.5	40.6	0	0	0	0	114.1	L122 G123	S119-L122 WeakPolarHBondContact O-CB 3.49Å; S119-L122 PolarHBondContact O-N 3.16Å; S119-G123 PolarHBondContact O-N 3.31Å
120	D	44.3	Very low	43.8	Very low	128 Å²	128	78.4 Å²	78.4	68%	0.684	38%	0.379	S	S	*	.	H	α-helix	trans	-75.3	-32.8	-169.8	-51	5.6	0	0	0	111	H118	H118-D120 PolarHBondContact O-N 2.93Å
121	A	45.5	Very low	44.6	Very low	41 Å²	41	80.8 Å²	80.8	34%	0.339	39%	0.385	S	S	.	.	H	α-helix	trans	-75.8	-40.3	171.4	0	0	0	0	0	111.2	L117 H118 G123 A124 D125	L117-A121 HydrophobicContact CD2-CB 4.15Å; H118-A121 PolarHBondContact O-N 3.41Å; A121-G123 VanDerWaalsContact C-N 3.3Å; A121-G123 PolarHBondContact O-N 2.81Å; A121-A124 WeakPolarHBondContact O-CB 3.2Å; A121-A124 PolarHBondContact O-N 3.27Å; A121-D125 PolarHBondContact O-N 3.48Å
122	L	44.5	Very low	45.6	Very low	37 Å²	37	83.8 Å²	83.8	19%	0.194	39%	0.393	C	S	.	.	H	α-helix	trans	-55.1	-42.8	179.9	-177.7	66.4	0	0	0	112.2	A14 L117 H118 S119 A124 L126	A14-L122 HydrophobicContact CB-CD2 4.15Å; L117-L122 HydrophobicContact CB-CB 4.27Å; L117-L122 HydrophobicContact CB-CD1 4.48Å; L117-L122 HydrophobicContact CD1-CB 4.47Å; L117-L122 HydrophobicContact CD1-CD1 3.67Å; H118-L122 PolarHBondContact O-N 2.94Å; S119-L122 WeakPolarHBondContact O-CB 3.49Å; S119-L122 PolarHBondContact O-N 3.16Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.4Å; L122-L126 HydrophobicContact CD1-CD1 3.94Å; L122-L126 HydrophobicContact CD1-CG 4.03Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 HydrophobicContact CG-CG 4.32Å; L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 WeakPolarHBondContact O-CG 3.33Å; L122-L126 PolarHBondContact O-N 3.07Å
123	G	50.2	Low	46.6	Very low	4 Å²	4	74.1 Å²	74.1	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-31.6	176.2	0	0	0	0	0	114.3	K72 S119 A121 G127	K72-G123 VanDerWaalsContact CG-O 3.28Å; K72-G123 WeakPolarHBondContact CG-O 3.27Å; S119-G123 PolarHBondContact O-N 3.31Å; A121-G123 VanDerWaalsContact C-N 3.3Å; A121-G123 PolarHBondContact O-N 2.81Å; G123-G127 PolarHBondContact O-N 2.95Å
124	A	51.4	Low	47.4	Very low	53 Å²	53	68.9 Å²	68.9	44%	0.438	33%	0.329	S	S	.	.	H	α-helix	trans	-76.6	-50	176.2	0	0	0	0	0	111.6	A121 L122 G127 D128	A121-A124 WeakPolarHBondContact O-CB 3.2Å; A121-A124 PolarHBondContact O-N 3.27Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.4Å; A124-G127 WeakPolarHBondContact O-CA 3.33Å; A124-G127 PolarHBondContact O-N 2.96Å; A124-D128 PolarHBondContact O-N 3.25Å
125	D	51.3	Low	48.3	Very low	65 Å²	65	66.6 Å²	66.6	35%	0.348	33%	0.327	S	S	.	.	H	α-helix	trans	-64.1	-42	-179.8	-80	-26.5	0	0	0	111.8	L117 A121 G127 D128 I129	L117-D125 WeakPolarHBondContact CD2-OD2 3.25Å; A121-D125 PolarHBondContact O-N 3.48Å; D125-G127 VanDerWaalsContact C-N 3.27Å; D125-G127 PolarHBondContact O-N 3.08Å; D125-D128 PolarHBondContact O-N 3.35Å; D125-D128 VanDerWaalsContact O-N 3.13Å; D125-I129 WeakPolarHBondContact O-CB 3.29Å; D125-I129 VanDerWaalsContact O-CG1 3.26Å; D125-I129 WeakPolarHBondContact O-CG1 3.39Å; D125-I129 PolarHBondContact O-N 3.09Å
126	L	51.2	Low	49	Very low	33 Å²	33	61.5 Å²	61.5	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-39.5	170.9	-74.7	172.7	0	0	0	111.7	V71 L80 L83 L122 D128 I129 L130	V71-L126 HydrophobicContact CG1-CD1 4.22Å; L80-L126 HydrophobicContact CD2-CD1 4.47Å; L83-L126 HydrophobicContact CD2-CD1 4.08Å; L83-L126 HydrophobicContact CD2-CD2 4.05Å; L122-L126 HydrophobicContact CD1-CD1 3.94Å; L122-L126 HydrophobicContact CD1-CG 4.03Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 HydrophobicContact CG-CG 4.32Å; L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 WeakPolarHBondContact O-CG 3.33Å; L122-L126 PolarHBondContact O-N 3.07Å; L126-D128 VanDerWaalsContact C-N 3.26Å; L126-D128 PolarHBondContact O-N 3.37Å; L126-I129 PolarHBondContact O-N 3.32Å; L126-L130 WeakPolarHBondContact O-CB 3.48Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.22Å; L126-L130 PolarHBondContact O-N 2.84Å
127	G	52.8	Low	49.8	Very low	1 Å²	1	51.4 Å²	51.4	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-34.2	175.4	0	0	0	0	0	113.4	G123 A124 D125 K131	G123-G127 PolarHBondContact O-N 2.95Å; A124-G127 WeakPolarHBondContact O-CA 3.33Å; A124-G127 PolarHBondContact O-N 2.96Å; D125-G127 VanDerWaalsContact C-N 3.27Å; D125-G127 PolarHBondContact O-N 3.08Å; G127-K131 WeakPolarHBondContact O-CG 3.32Å; G127-K131 PolarHBondContact O-N 2.87Å
128	D	56.3	Low	50.8	Low	69 Å²	69	51 Å²	51	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-89.4	-30.4	179.6	-82.4	21.7	0	0	0	113.2	A124 D125 L126 L130 K131 R132	A124-D128 PolarHBondContact O-N 3.25Å; D125-D128 PolarHBondContact O-N 3.35Å; D125-D128 VanDerWaalsContact O-N 3.13Å; L126-D128 VanDerWaalsContact C-N 3.26Å; L126-D128 PolarHBondContact O-N 3.37Å; D128-L130 VanDerWaalsContact C-N 3.32Å; D128-K131 WeakPolarHBondContact O-CB 3.36Å; D128-K131 PolarHBondContact O-N 2.81Å; D128-K131 WeakPolarHBondContact OD1-CD 3.3Å; D128-K131 WeakPolarHBondContact OD1-CE 3.32Å; D128-K131 IonicContact OD1-NZ 3.44Å; D128-K131 PolarHBondContact OD1-NZ 3.03Å; D128-K131 IonicContact OD2-NZ 2.67Å; D128-R132 WeakPolarHBondContact O-CG 3.42Å; D128-R132 PolarHBondContact O-N 3.02Å
129	I	53	Low	51.5	Low	24 Å²	24	48.9 Å²	48.9	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-44.6	166	-70.6	162.5	0	0	0	109.8	V104 F105 D125 L126 K131 R132 L133	V104-I129 HydrophobicContact CG1-CG2 4.05Å; F105-I129 HydrophobicContact CD1-CD1 4.39Å; F105-I129 HydrophobicContact CE1-CD1 4.28Å; F105-I129 HydrophobicContact CE1-CG2 4.07Å; D125-I129 WeakPolarHBondContact O-CB 3.29Å; D125-I129 VanDerWaalsContact O-CG1 3.26Å; D125-I129 WeakPolarHBondContact O-CG1 3.39Å; D125-I129 PolarHBondContact O-N 3.09Å; L126-I129 PolarHBondContact O-N 3.32Å; I129-K131 VanDerWaalsContact C-N 3.33Å; I129-K131 PolarHBondContact O-N 3.27Å; I129-R132 PolarHBondContact O-N 3.01Å; I129-L133 HydrophobicContact CG2-CD1 4.03Å; I129-L133 WeakPolarHBondContact O-CB 3.26Å; I129-L133 WeakPolarHBondContact O-CG 3.43Å; I129-L133 PolarHBondContact O-N 2.75Å
130	L	53.4	Low	51.8	Low	9 Å²	9	48.2 Å²	48.2	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-38.6	173.4	-74.3	168.7	0	0	0	112.4	L64 M85 L126 D128 I134	L64-L130 HydrophobicContact CD2-CD2 4.35Å; M85-L130 HydrophobicContact CE-CD2 3.49Å; M85-L130 VanDerWaalsContact CE-CD2 3.49Å; M85-L130 HydrophobicContact SD-CD2 3.67Å; L126-L130 WeakPolarHBondContact O-CB 3.48Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.22Å; L126-L130 PolarHBondContact O-N 2.84Å; D128-L130 VanDerWaalsContact C-N 3.32Å; L130-I134 WeakPolarHBondContact O-CD1 3.44Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.19Å; L130-I134 PolarHBondContact O-N 2.76Å
131	K	56.1	Low	52	Low	94 Å²	94	43.2 Å²	43.2	41%	0.409	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-41	172.9	-68.8	170.5	-163.9	166.6	0	112.6	G127 D128 I129 I134 I135	G127-K131 WeakPolarHBondContact O-CG 3.32Å; G127-K131 PolarHBondContact O-N 2.87Å; D128-K131 WeakPolarHBondContact O-CB 3.36Å; D128-K131 PolarHBondContact O-N 2.81Å; D128-K131 WeakPolarHBondContact OD1-CD 3.3Å; D128-K131 WeakPolarHBondContact OD1-CE 3.32Å; D128-K131 IonicContact OD1-NZ 3.44Å; D128-K131 PolarHBondContact OD1-NZ 3.03Å; D128-K131 IonicContact OD2-NZ 2.67Å; I129-K131 VanDerWaalsContact C-N 3.33Å; I129-K131 PolarHBondContact O-N 3.27Å; K131-I134 WeakPolarHBondContact O-CB 3.43Å; K131-I134 PolarHBondContact O-N 2.75Å; K131-I135 WeakPolarHBondContact O-CG1 3.46Å; K131-I135 PolarHBondContact O-N 3.45Å
132	R	56.8	Low	52.4	Low	112 Å²	112	47.5 Å²	47.5	42%	0.423	25%	0.25	S	S	.	.	H	α-helix	trans	-68	-42.6	178.8	-70.4	176.9	-171.6	-178.9	4.7	111.7	V104 D128 I129 I134 I135 V136	V104-R132 WeakPolarHBondContact O-CD 3.4Å; V104-R132 PolarHBondContact O-NH1 2.76Å; D128-R132 WeakPolarHBondContact O-CG 3.42Å; D128-R132 PolarHBondContact O-N 3.02Å; I129-R132 PolarHBondContact O-N 3.01Å; R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 2.6Å; R132-I135 PolarHBondContact O-N 3.23Å; R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 3.35Å
133	L	52.9	Low	52.7	Low	21 Å²	21	54.5 Å²	54.5	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-52.6	-47.4	171.4	-78.5	165	0	0	0	111.3	Y100 V104 I129 I135 V136 L137	Y100-L133 HydrophobicContact CE2-CD2 4.31Å; Y100-L133 WeakPolarHBondContact OH-CD2 3.26Å; V104-L133 HydrophobicContact CG1-CD2 4.1Å; V104-L133 HydrophobicContact CG1-CG 4.01Å; V104-L133 HydrophobicContact CG2-CD2 3.76Å; V104-L133 HydrophobicContact CG2-CG 4.23Å; I129-L133 HydrophobicContact CG2-CD1 4.03Å; I129-L133 WeakPolarHBondContact O-CB 3.26Å; I129-L133 WeakPolarHBondContact O-CG 3.43Å; I129-L133 PolarHBondContact O-N 2.75Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 3.26Å; L133-V136 PolarHBondContact O-N 2.82Å; L133-L137 HydrophobicContact CB-CD1 4.36Å; L133-L137 VanDerWaalsContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 VanDerWaalsContact O-CD1 3.3Å; L133-L137 WeakPolarHBondContact O-CD1 3.48Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 2.74Å
134	I	53.1	Low	52.4	Low	31 Å²	31	55.8 Å²	55.8	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-55	-44.8	175.5	-71.1	162	0	0	0	112.1	V61 L64 L130 K131 R132 G138	V61-I134 HydrophobicContact CB-CG2 4.45Å; V61-I134 HydrophobicContact CG1-CD1 4.32Å; V61-I134 HydrophobicContact CG1-CG2 4.16Å; V61-I134 HydrophobicContact CG2-CG2 3.76Å; L64-I134 HydrophobicContact CB-CD1 3.74Å; L64-I134 HydrophobicContact CB-CG1 4.17Å; L64-I134 HydrophobicContact CD1-CD1 4.21Å; L64-I134 HydrophobicContact CD1-CG1 3.66Å; L130-I134 WeakPolarHBondContact O-CD1 3.44Å; L130-I134 VanDerWaalsContact O-CG1 3.29Å; L130-I134 WeakPolarHBondContact O-CG1 3.19Å; L130-I134 PolarHBondContact O-N 2.76Å; K131-I134 WeakPolarHBondContact O-CB 3.43Å; K131-I134 PolarHBondContact O-N 2.75Å; R132-I134 VanDerWaalsContact C-N 3.29Å; R132-I134 PolarHBondContact O-N 2.6Å; I134-G138 PolarHBondContact O-N 2.69Å
135	I	54.7	Low	52.4	Low	107 Å²	107	59.7 Å²	59.7	55%	0.549	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-49	-178	-64.8	164.6	0	0	0	110.8	K131 R132 L133 L137 G138 H139	K131-I135 WeakPolarHBondContact O-CG1 3.46Å; K131-I135 PolarHBondContact O-N 3.45Å; R132-I135 PolarHBondContact O-N 3.23Å; L133-I135 VanDerWaalsContact C-N 3.32Å; L133-I135 PolarHBondContact O-N 3.26Å; I135-L137 PolarHBondContact O-N 2.89Å; I135-G138 PolarHBondContact O-N 3.38Å; I135-H139 PolarHBondContact O-N 2.87Å
136	V	51.9	Low	52.3	Low	9 Å²	9	57.9 Å²	57.9	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-42.8	-179.9	176.8	0	0	0	0	111	Y100 E103 V104 R132 L133 H139 I140	Y100-V136 HydrophobicContact CD2-CG1 3.66Å; Y100-V136 HydrophobicContact CE2-CG1 4.19Å; E103-V136 HydrophobicContact CB-CG2 3.55Å; V104-V136 HydrophobicContact CG2-CG2 4.23Å; R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 3.35Å; L133-V136 PolarHBondContact O-N 2.82Å; V136-H139 PolarHBondContact O-N 3.2Å; V136-I140 HydrophobicContact CG1-CD1 4.07Å; V136-I140 WeakPolarHBondContact O-CG1 3.48Å; V136-I140 PolarHBondContact O-N 3.03Å
137	L	51.1	Low	52.1	Low	22 Å²	22	59.3 Å²	59.3	12%	0.115	32%	0.315	C	S	.	.	H	α-helix	trans	-67.9	-35.7	177.8	-72.2	160.5	0	0	0	112.4	L133 I135 I140 C141 F153	L133-L137 HydrophobicContact CB-CD1 4.36Å; L133-L137 VanDerWaalsContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 VanDerWaalsContact O-CD1 3.3Å; L133-L137 WeakPolarHBondContact O-CD1 3.48Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 2.74Å; I135-L137 PolarHBondContact O-N 2.89Å; L137-I140 HydrophobicContact CD2-CD1 4.41Å; L137-I140 PolarHBondContact O-N 3.03Å; L137-C141 PolarHBondContact O-N 3.21Å; L137-F153 HydrophobicContact CD1-CE1 3.72Å; L137-F153 HydrophobicContact CD1-CZ 3.43Å; L137-F153 VanDerWaalsContact CD1-CZ 3.43Å; L137-F153 HydrophobicContact CD2-CZ 4.37Å
138	G	56.8	Low	51.9	Low	21 Å²	21	63.1 Å²	63.1	22%	0.216	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-48.5	169.5	0	0	0	0	0	111.8	I134 I135 I140 C141 D142	I134-G138 PolarHBondContact O-N 2.69Å; I135-G138 PolarHBondContact O-N 3.38Å; G138-I140 VanDerWaalsContact C-N 3.31Å; G138-I140 PolarHBondContact O-N 3.21Å; G138-C141 PolarHBondContact O-N 3.24Å; G138-D142 PolarHBondContact O-N 3.45Å
139	H	51.8	Low	51.4	Low	107 Å²	107	63.1 Å²	63.1	50%	0.495	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-30.2	175.3	-82	6	0	0	0	114.4	I135 V136 K143	I135-H139 PolarHBondContact O-N 2.87Å; V136-H139 PolarHBondContact O-N 3.2Å; H139-K143 WeakPolarHBondContact O-CB 3.49Å; H139-K143 PolarHBondContact O-N 2.91Å
140	I	48	Very low	51.2	Low	25 Å²	25	64.1 Å²	64.1	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-45.3	172	-70.2	165.6	0	0	0	110.2	I95 Y100 V136 L137 G138 D142 K143 S144	I95-I140 HydrophobicContact CG2-CD1 4.45Å; Y100-I140 HydrophobicContact CD2-CD1 4.26Å; V136-I140 HydrophobicContact CG1-CD1 4.07Å; V136-I140 WeakPolarHBondContact O-CG1 3.48Å; V136-I140 PolarHBondContact O-N 3.03Å; L137-I140 HydrophobicContact CD2-CD1 4.41Å; L137-I140 PolarHBondContact O-N 3.03Å; G138-I140 VanDerWaalsContact C-N 3.31Å; G138-I140 PolarHBondContact O-N 3.21Å; I140-D142 VanDerWaalsContact C-N 3.34Å; I140-D142 PolarHBondContact O-N 3.3Å; I140-K143 PolarHBondContact O-N 2.83Å; I140-S144 WeakPolarHBondContact O-CB 3.39Å; I140-S144 PolarHBondContact O-N 2.89Å; I140-S144 PolarHBondContact O-OG 2.77Å
141	C	50.3	Low	50.8	Low	23 Å²	23	64.4 Å²	64.4	16%	0.155	35%	0.351	C	S	.	.	H	α-helix	trans	-69.6	-25.3	178	-72.2	0	0	0	0	114.2	L137 G138 H148	L137-C141 PolarHBondContact O-N 3.21Å; G138-C141 PolarHBondContact O-N 3.24Å; C141-H148 WeakPolarHBondContact CB-CE1 3.38Å
142	D	52.3	Low	50.4	Low	130 Å²	130	63 Å²	63	70%	0.695	35%	0.35	S	S	*	.	H	α-helix	trans	-77.7	-22.1	173.3	-74.2	-24.1	0	0	0	113.1	G138 I140	G138-D142 PolarHBondContact O-N 3.45Å; I140-D142 VanDerWaalsContact C-N 3.34Å; I140-D142 PolarHBondContact O-N 3.3Å
143	K	50.5	Low	50	Low	184 Å²	184	59.9 Å²	59.9	80%	0.8	34%	0.34	S	S	*	.	H	α-helix	trans	-112.7	-16.1	-175.1	-72.1	-172.4	175	-177.9	0	115.5	H139 I140	H139-K143 WeakPolarHBondContact O-CB 3.49Å; H139-K143 PolarHBondContact O-N 2.91Å; I140-K143 PolarHBondContact O-N 2.83Å
144	S	45.7	Very low	49.8	Very low	32 Å²	32	60.7 Å²	60.7	22%	0.224	35%	0.345	C	S	.	.	S	Bend	trans	-120	143.6	174.4	68.6	0	0	0	0	109.3	I140 I146	I140-S144 WeakPolarHBondContact O-CB 3.39Å; I140-S144 PolarHBondContact O-N 2.89Å; I140-S144 PolarHBondContact O-OG 2.77Å; S144-I146 PolarHBondContact O-N 3.02Å
145	S	50.6	Low	49.6	Very low	135 Å²	135	60.5 Å²	60.5	94%	0.944	35%	0.345	S	S	*	.			trans	-73.8	27.8	-179	43.8	0	0	0	0	113.9	S147	S145-S147 PolarHBondContact O-N 2.93Å
146	I	48.4	Very low	49.4	Very low	26 Å²	26	58.6 Å²	58.6	13%	0.133	33%	0.334	C	S	.	.			trans	-80.6	107.1	173.3	-56	177.8	0	0	0	108.1	V90 D94 S144 H148 A150 V151	V90-I146 HydrophobicContact CG1-CD1 3.98Å; D94-I146 HydrophobicContact CB-CD1 3.83Å; S144-I146 PolarHBondContact O-N 3.02Å; I146-H148 PolarHBondContact O-N 3.29Å; I146-A150 HydrophobicContact CG2-CB 4.28Å; I146-V151 HydrophobicContact CG2-CG2 3.95Å
147	S	48.7	Very low	49.3	Very low	64 Å²	64	58.9 Å²	58.9	45%	0.448	34%	0.336	S	S	.	.			trans	-56	134.2	170.3	175.1	0	0	0	0	110.5	S145 S149 A150	S145-S147 PolarHBondContact O-N 2.93Å; S147-S149 WeakPolarHBondContact CB-OG 3.22Å; S147-S149 PolarHBondContact O-N 2.94Å; S147-S149 WeakPolarHBondContact OG-CB 3.46Å; S147-S149 PolarHBondContact OG-N 3.28Å; S147-S149 VanDerWaalsContact OG-N 3.12Å; S147-S149 PolarHBondContact OG-OG 2.86Å; S147-A150 WeakPolarHBondContact O-CB 3.38Å; S147-A150 PolarHBondContact O-N 2.97Å
148	H	48.5	Very low	49.1	Very low	81 Å²	81	60.2 Å²	60.2	38%	0.375	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-16.8	167.8	-76.6	96.7	0	0	0	113.7	C141 I146	C141-H148 WeakPolarHBondContact CB-CE1 3.38Å; I146-H148 PolarHBondContact O-N 3.29Å
149	S	45.3	Very low	48.9	Very low	68 Å²	68	59.8 Å²	59.8	48%	0.476	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.7	174.2	71.6	0	0	0	0	115.3	S147	S147-S149 WeakPolarHBondContact CB-OG 3.22Å; S147-S149 PolarHBondContact O-N 2.94Å; S147-S149 WeakPolarHBondContact OG-CB 3.46Å; S147-S149 PolarHBondContact OG-N 3.28Å; S147-S149 VanDerWaalsContact OG-N 3.12Å; S147-S149 PolarHBondContact OG-OG 2.86Å
150	A	47.9	Very low	48.9	Very low	45 Å²	45	58.6 Å²	58.6	37%	0.372	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-29.2	-178.8	0	0	0	0	0	111.8	G89 I146 S147	G89-A150 WeakPolarHBondContact CA-O 3.12Å; I146-A150 HydrophobicContact CG2-CB 4.28Å; S147-A150 WeakPolarHBondContact O-CB 3.38Å; S147-A150 PolarHBondContact O-N 2.97Å
151	V	45.8	Very low	48.9	Very low	15 Å²	15	59.5 Å²	59.5	9%	0.091	34%	0.339	C	S	.	.			trans	-88.5	113.1	-172	-166.2	0	0	0	0	111	V87 K88 V90 I146 F153	V87-V151 HydrophobicContact CG1-CG1 3.63Å; K88-V151 VanDerWaalsContact O-CA 3.29Å; K88-V151 WeakPolarHBondContact O-CA 3.26Å; V90-V151 HydrophobicContact CG2-CB 4.43Å; V90-V151 HydrophobicContact CG2-CG1 3.98Å; V90-V151 HydrophobicContact CG2-CG2 3.62Å; I146-V151 HydrophobicContact CG2-CG2 3.95Å; V151-F153 HydrophobicContact CB-CE2 4.35Å; V151-F153 HydrophobicContact CG1-CD2 4.44Å; V151-F153 HydrophobicContact CG1-CE2 3.54Å; V151-F153 HydrophobicContact CG1-CZ 3.58Å
152	T	48	Very low	48.4	Very low	64 Å²	64	63.4 Å²	63.4	39%	0.393	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.5	174.3	67.6	0	0	0	0	111.6	K88	K88-T152 PolarHBondContact N-O 3.42Å; K88-T152 PolarHBondContact O-N 2.85Å
153	F	48.3	Very low	47.6	Very low	48 Å²	48	61.5 Å²	61.5	21%	0.211	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.7	178	-62.4	-93	0	0	0	109.6	S86 V87 L137 V151	S86-F153 VanDerWaalsContact O-CA 3.32Å; S86-F153 WeakPolarHBondContact O-CA 3.35Å; V87-F153 HydrophobicContact CB-CD1 4.46Å; V87-F153 HydrophobicContact CB-CE1 4.2Å; V87-F153 HydrophobicContact CG1-CD1 4.29Å; V87-F153 HydrophobicContact CG1-CE1 3.7Å; V87-F153 HydrophobicContact CG1-CZ 3.94Å; V87-F153 HydrophobicContact CG2-CD1 3.79Å; V87-F153 HydrophobicContact CG2-CE1 3.55Å; L137-F153 HydrophobicContact CD1-CE1 3.72Å; L137-F153 HydrophobicContact CD1-CZ 3.43Å; L137-F153 VanDerWaalsContact CD1-CZ 3.43Å; L137-F153 HydrophobicContact CD2-CZ 4.37Å; V151-F153 HydrophobicContact CB-CE2 4.35Å; V151-F153 HydrophobicContact CG1-CD2 4.44Å; V151-F153 HydrophobicContact CG1-CE2 3.54Å; V151-F153 HydrophobicContact CG1-CZ 3.58Å
154	D	48	Very low	46.6	Very low	38 Å²	38	60.6 Å²	60.6	20%	0.203	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.2	170.1	-47.7	-34.1	0	0	0	107.7	M85 S86 K88	M85-D154 CarbonylContact C-O 3.57Å; M85-D154 WeakPolarHBondContact CA-O 3.48Å; S86-D154 PolarHBondContact N-O 3.04Å; S86-D154 PolarHBondContact O-N 2.95Å; K88-D154 VanDerWaalsContact CE-OD2 3.26Å; K88-D154 WeakPolarHBondContact CE-OD2 3.36Å; K88-D154 IonicContact NZ-OD2 3.4Å; K88-D154 PolarHBondContact NZ-OD2 2.79Å
155	V	49.7	Very low	45.9	Very low	27 Å²	27	65.1 Å²	65.1	16%	0.164	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.3	-177.8	-176.3	0	0	0	0	108.6	L83 M85 V157	L83-V155 HydrophobicContact CD1-CG1 3.63Å; L83-V155 HydrophobicContact CG-CG1 4.48Å; M85-V155 HydrophobicContact CE-CG2 4.06Å; M85-V155 HydrophobicContact CG-CG1 4.14Å; M85-V155 HydrophobicContact CG-CG2 4.17Å; V155-V157 HydrophobicContact CG1-CG2 4.41Å
156	M	50	Low	44.9	Very low	66 Å²	66	65 Å²	65	33%	0.325	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.5	177.2	-178	174.3	171.4	0	0	109.4	F47 L83 A84 L158	F47-M156 HydrophobicContact CD1-CE 3.55Å; F47-M156 HydrophobicContact CD1-SD 3.79Å; F47-M156 HydrophobicContact CE1-CE 3.31Å; F47-M156 HydrophobicContact CE1-SD 3.82Å; F47-M156 HydrophobicContact CG-CE 4.33Å; F47-M156 HydrophobicContact CZ-CE 3.9Å; L83-M156 WeakPolarHBondContact CA-O 3.39Å; A84-M156 HydrophobicContact CB-CB 4.41Å; A84-M156 PolarHBondContact N-O 3.48Å; A84-M156 PolarHBondContact O-N 3.26Å; M156-L158 HydrophobicContact CE-CD1 4.3Å
157	V	49.1	Very low	43.7	Very low	16 Å²	16	71.9 Å²	71.9	10%	0.097	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.1	179.3	-164.7	0	0	0	0	108.2	L74 L80 L83 V155 V159	L74-V157 HydrophobicContact CD1-CG1 3.99Å; L80-V157 HydrophobicContact CD1-CG1 3.43Å; L80-V157 VanDerWaalsContact CD1-CG1 3.43Å; L83-V157 HydrophobicContact CD1-CG2 3.87Å; V155-V157 HydrophobicContact CG1-CG2 4.41Å; V157-V159 HydrophobicContact CG1-CG1 4.05Å
158	L	48.2	Very low	42.6	Very low	49 Å²	49	76.1 Å²	76.1	26%	0.257	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.8	173.2	-153.3	82.7	0	0	0	108.9	A45 I81 A82 M156	A45-L158 HydrophobicContact CB-CD1 3.68Å; I81-L158 HydrophobicContact CB-CB 4.27Å; I81-L158 HydrophobicContact CB-CD2 4.14Å; I81-L158 HydrophobicContact CB-CG 4.48Å; I81-L158 HydrophobicContact CD1-CD2 4.42Å; I81-L158 HydrophobicContact CG2-CD2 3.97Å; I81-L158 PolarHBondContact N-O 2.83Å; A82-L158 HydrophobicContact CB-CB 3.93Å; A82-L158 PolarHBondContact N-O 3.06Å; A82-L158 PolarHBondContact O-N 3.29Å; M156-L158 HydrophobicContact CE-CD1 4.3Å
159	V	52.2	Low	41.5	Very low	13 Å²	13	80.4 Å²	80.4	8%	0.079	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.9	-174.2	-67.8	0	0	0	0	112.9	L74 R79 V157	L74-V159 HydrophobicContact CD1-CG1 3.86Å; L74-V159 HydrophobicContact CD2-CG1 4.03Å; L74-V159 HydrophobicContact CG-CG1 4.42Å; R79-V159 CarbonylContact O-C 3.57Å; R79-V159 WeakPolarHBondContact O-CA 3.2Å; V157-V159 HydrophobicContact CG1-CG1 4.05Å
160	N	50.5	Low	40.5	Very low	81 Å²	81	80.9 Å²	80.9	43%	0.433	47%	0.472	S	S	.	.			trans	-86	130.7	167.5	-162.5	-2.9	0	0	0	110.8	R79 I81 S162	R79-N160 PolarHBondContact NE-O 3.5Å; R79-N160 PolarHBondContact O-N 2.97Å; I81-N160 HydrophobicContact CD1-CB 4.08Å; I81-N160 HydrophobicContact CG1-CB 4.4Å; N160-S162 PolarHBondContact OD1-N 3.35Å; N160-S162 PolarHBondContact OD1-OG 3.44Å
161	D	49	Very low	39.4	Very low	44 Å²	44	87.3 Å²	87.3	24%	0.235	49%	0.494	C	S	.	.			trans	-121.5	5.7	-173.3	-105.9	12.9	0	0	0	113.1	K46 R79 A163	K46-D161 IonicContact NZ-OD2 3.21Å; K46-D161 PolarHBondContact NZ-OD2 3.25Å; R79-D161 IonicContact CZ-OD1 2.73Å; R79-D161 IonicContact NH2-OD1 3.16Å; R79-D161 PolarHBondContact NH2-OD1 3.05Å; D161-A163 PolarHBondContact O-N 2.88Å
162	S	40.8	Very low	38.3	Very low	105 Å²	105	98.6 Å²	98.6	73%	0.734	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	37.1	-172.3	70.9	0	0	0	0	115.7	N160	N160-S162 PolarHBondContact OD1-N 3.35Å; N160-S162 PolarHBondContact OD1-OG 3.44Å
163	A	34.1	Very low	37.1	Very low	90 Å²	90	106.3 Å²	106.3	74%	0.744	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	17.5	-172.7	0	0	0	0	0	114.2	D161	D161-A163 PolarHBondContact O-N 2.88Å
164	M	30.8	Very low	36	Very low	165 Å²	165	109.8 Å²	109.8	81%	0.813	59%	0.587	S	S	*	*			trans	-109.5	6.9	-170.8	-79.2	-67.6	-59.7	0	0	115.5	V166	M164-V166 PolarHBondContact O-N 3.05Å; M164-V166 VanDerWaalsContact O-N 3.12Å
165	D	30.8	Very low	35	Very low	127 Å²	127	116 Å²	116	68%	0.679	62%	0.619	S	S	*	*			trans	-76.4	6.5	-175.3	-119.9	-44	0	0	0	114.8	L167 K168	D165-L167 PolarHBondContact O-N 3.03Å; D165-K168 IonicContact OD1-NZ 3.99Å; D165-K168 PolarHBondContact OD1-NZ 3.39Å
166	V	28.1	Very low	33.8	Very low	132 Å²	132	117.4 Å²	117.4	80%	0.8	64%	0.639	S	S	*	*			trans	-96.2	88.4	173.1	-175.4	0	0	0	0	109.8	M164	M164-V166 PolarHBondContact O-N 3.05Å; M164-V166 VanDerWaalsContact O-N 3.12Å
167	L	24.9	Very low	32.7	Very low	171 Å²	171	119.2 Å²	119.2	90%	0.895	66%	0.664	S	S	*	*			trans	165.2	73.4	148.8	-90.6	162.7	0	0	0	109.7	D165	D165-L167 PolarHBondContact O-N 3.03Å
168	K	23.9	Very low	31.7	Very low	154 Å²	154	128.5 Å²	128.5	67%	0.67	70%	0.697	S	S	*	*			trans	-101.4	159.1	164.2	-76.5	170.9	176.1	139.1	0	109.9	D165	D165-K168 IonicContact OD1-NZ 3.99Å; D165-K168 PolarHBondContact OD1-NZ 3.39Å
169	D	25.4	Very low	31	Very low	171 Å²	171	136.8 Å²	136.8	91%	0.914	73%	0.731	S	S	*	*			trans	68.5	124.2	172.4	-52.5	-35.9	0	0	0	117.5
170	G	25.8	Very low	30.1	Very low	78 Å²	78	142.9 Å²	142.9	80%	0.804	76%	0.759	S	S	*	*			trans	178.1	30.4	-171.4	0	0	0	0	0	116.6
171	E	25.2	Very low	29.6	Very low	179 Å²	179	143 Å²	143	84%	0.836	76%	0.764	S	S	*	*			trans	45.6	138.6	167.2	-63	-161.5	130.5	0	0	122.5
172	R	22.6	Very low	29.1	Very low	253 Å²	253	146 Å²	146	96%	0.955	78%	0.78	S	S	*	*			trans	-71	132.1	171	-63	170.6	175.9	163.1	-3	111
173	R	22.6	Very low	28.9	Very low	226 Å²	226	150.8 Å²	150.8	85%	0.853	79%	0.788	S	S	*	*			trans	-122.3	131.3	163.2	-73	-172.7	174.7	-176.9	-1.2	111.4
174	S	23.5	Very low	29	Very low	121 Å²	121	148.9 Å²	148.9	85%	0.846	77%	0.768	S	S	*	*			trans	-65.9	130	176.3	51	0	0	0	0	111.4	G176	S174-G176 PolarHBondContact O-N 2.89Å; S174-G176 VanDerWaalsContact O-N 3.14Å
175	I	29	Very low	29.5	Very low	167 Å²	167	144.5 Å²	144.5	86%	0.856	75%	0.752	S	S	*	*			trans	-78.6	100	-179.2	-59.3	175.8	0	0	0	109.4
176	G	24.1	Very low	29.8	Very low	57 Å²	57	148 Å²	148	59%	0.588	76%	0.761	S	S	*	*			trans	-72.5	141.5	166.1	0	0	0	0	0	111.1	S174 R178	S174-G176 PolarHBondContact O-N 2.89Å; S174-G176 VanDerWaalsContact O-N 3.14Å; G176-R178 PolarHBondContact O-N 3.34Å
177	A	27	Very low	30.3	Very low	104 Å²	104	144.3 Å²	144.3	86%	0.86	74%	0.739	S	S	*	*			trans	-57.5	120.9	-170.8	0	0	0	0	0	113.6
178	R	26.8	Very low	30.9	Very low	211 Å²	211	144.3 Å²	144.3	80%	0.796	73%	0.734	S	S	*	*			trans	-115.4	129.4	165.8	-78	-171.3	170.4	-163.9	-1.8	109.7	G176 E180	G176-R178 PolarHBondContact O-N 3.34Å; R178-E180 PolarHBondContact O-N 3.45Å; R178-E180 VanDerWaalsContact O-N 3.08Å
179	K	34.4	Very low	31.7	Very low	223 Å²	223	139.7 Å²	139.7	97%	0.97	72%	0.724	S	S	*	*	S	Bend	trans	-82.7	41.4	177.9	-68	-171.7	173.3	-174.1	0	113
180	E	32	Very low	32.4	Very low	141 Å²	141	134.5 Å²	134.5	66%	0.659	70%	0.698	S	S	*	*	S	Bend	trans	-121.5	134.6	173.3	-67.2	-174.9	150.8	0	0	109	R178 L182	R178-E180 PolarHBondContact O-N 3.45Å; R178-E180 VanDerWaalsContact O-N 3.08Å; E180-L182 PolarHBondContact O-N 2.87Å
181	P	40	Very low	32.8	Very low	84 Å²	84	136.2 Å²	136.2	55%	0.545	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-63.2	131.3	179.4	25.6	-33	0	0	0	110.8	K183	P181-K183 PolarHBondContact O-N 2.86Å
182	L	40	Very low	33.9	Very low	107 Å²	107	131.5 Å²	131.5	56%	0.56	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-60.3	121.1	-178.3	-70.6	166.9	0	0	0	110.1	E180 C184 L633	E180-L182 PolarHBondContact O-N 2.87Å; L182-C184 PolarHBondContact O-N 2.86Å; L182-L633 HydrophobicContact CD1-CD2 4.06Å
183	K	36.2	Very low	35.1	Very low	206 Å²	206	123 Å²	123	90%	0.896	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-63.2	124.7	-178.7	-76.4	-177.5	176.2	174.5	0	110.7	P181	P181-K183 PolarHBondContact O-N 2.86Å
184	C	36.9	Very low	36.6	Very low	50 Å²	50	118.5 Å²	118.5	34%	0.338	66%	0.659	S	S	.	*	P	Polyproline II helix	trans	-62.9	131.7	-172	-162.9	0	0	0	0	112	L182 W629	L182-C184 PolarHBondContact O-N 2.86Å; C184-W629 HydrophobicContact CB-CH2 4.01Å; C184-W629 HydrophobicContact CB-CZ2 3.91Å
185	P	39.6	Very low	39.1	Very low	73 Å²	73	114.4 Å²	114.4	47%	0.474	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-55.5	144.7	158.2	-18.9	31.7	0	0	0	109.2	V187	P185-V187 PolarHBondContact O-N 2.98Å
186	K	37.6	Very low	41.7	Very low	201 Å²	201	108.4 Å²	108.4	87%	0.874	60%	0.6	S	S	*	*			trans	-72.9	71.4	-176.5	-69.1	-174.5	179.9	178.8	0	112.7	H188	K186-H188 PolarHBondContact O-N 3.1Å
187	V	38.3	Very low	44.9	Very low	53 Å²	53	106.6 Å²	106.6	32%	0.321	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-68	118.6	167.9	-177.8	0	0	0	0	107.9	P185 A189 R628	P185-V187 PolarHBondContact O-N 2.98Å; V187-A189 PolarHBondContact O-N 3.47Å; V187-R628 HydrophobicContact CG1-CB 4.33Å
188	H	37.5	Very low	48	Very low	172 Å²	172	105.3 Å²	105.3	80%	0.796	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-69	122.8	177.6	-75.9	-78.4	0	0	0	110.1	K186 V190	K186-H188 PolarHBondContact O-N 3.1Å; H188-V190 PolarHBondContact O-N 2.89Å
189	A	40.4	Very low	51.2	Low	56 Å²	56	95.5 Å²	95.5	46%	0.463	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-60.1	135.6	176	0	0	0	0	0	110.8	V187 P191	V187-A189 PolarHBondContact O-N 3.47Å; A189-P191 WeakPolarHBondContact O-CD 3.27Å
190	V	40.7	Very low	54	Low	62 Å²	62	87.6 Å²	87.6	38%	0.376	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-61.9	122.4	175	178.6	0	0	0	0	108.1	H188 I192	H188-V190 PolarHBondContact O-N 2.89Å; V190-I192 PolarHBondContact O-N 2.88Å
191	P	34.7	Very low	57.2	Low	114 Å²	114	83.1 Å²	83.1	74%	0.74	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-58.2	126.9	-176.8	-26.8	35.4	0	0	0	112	A189	A189-P191 WeakPolarHBondContact O-CD 3.27Å
192	I	47.2	Very low	59.9	Low	80 Å²	80	79.4 Å²	79.4	41%	0.41	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-58.6	140.5	165.9	-50.9	170.9	0	0	0	107.6	V190 T339	V190-I192 PolarHBondContact O-N 2.88Å; I192-T339 HydrophobicContact CG2-CG2 3.86Å
193	A	47.9	Very low	62.7	Low	76 Å²	76	75.5 Å²	75.5	63%	0.628	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-52.6	129.7	172.4	0	0	0	0	0	109.3	T195	A193-T195 PolarHBondContact O-N 3.4Å
194	P	54.4	Low	65.6	Low	130 Å²	130	65.7 Å²	65.7	84%	0.844	38%	0.378	S	S	*	.			trans	-63.9	112.9	-169.1	24.5	-34	0	0	0	110.4
195	T	75.9	Confident	68.5	Low	36 Å²	36	66.7 Å²	66.7	22%	0.221	38%	0.376	C	S	.	.			trans	-74.9	146.6	176.5	63.5	0	0	0	0	110	A193 W197 V226 F340	A193-T195 PolarHBondContact O-N 3.4Å; T195-W197 VanDerWaalsContact C-N 3.29Å; T195-W197 VanDerWaalsContact CB-O 3.28Å; T195-W197 WeakPolarHBondContact CB-O 3.37Å; T195-W197 PolarHBondContact OG1-O 3.34Å; T195-V226 WeakPolarHBondContact O-CB 3.41Å; T195-F340 HydrophobicContact CG2-CD1 4.37Å; T195-F340 HydrophobicContact CG2-CE1 3.58Å; T195-F340 HydrophobicContact CG2-CZ 3.71Å
196	T	84.7	Confident	71.3	Confident	40 Å²	40	63.2 Å²	63.2	25%	0.245	35%	0.354	C	S	.	.	S	Bend	trans	-73.2	-28.7	170.9	-52.1	0	0	0	0	111.3	V226 S227 A229	T196-V226 PolarHBondContact O-N 2.99Å; T196-S227 WeakPolarHBondContact CA-OG 3.27Å; T196-S227 WeakPolarHBondContact CG2-OG 3.45Å; T196-S227 PolarHBondContact O-N 3.45Å; T196-A229 HydrophobicContact CG2-CB 3.61Å
197	W	90.2	Very high	74	Confident	20 Å²	20	54.4 Å²	54.4	8%	0.076	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.3	-173.5	-45.9	-73.9	0	0	0	110.9	T195 F223 K224 F225 F231 K233 W335	T195-W197 VanDerWaalsContact C-N 3.29Å; T195-W197 VanDerWaalsContact CB-O 3.28Å; T195-W197 WeakPolarHBondContact CB-O 3.37Å; T195-W197 PolarHBondContact OG1-O 3.34Å; W197-F223 HydrophobicContact CB-CD2 4.09Å; W197-F223 AromaticContact CD1-CE2 3.66Å; W197-F223 HydrophobicContact CG-CD2 4.35Å; W197-F223 HydrophobicContact CG-CE2 4.33Å; W197-K224 CarbonylContact C-O 3.54Å; W197-K224 VanDerWaalsContact CA-O 3.32Å; W197-K224 WeakPolarHBondContact CA-O 3.21Å; W197-F225 AromaticContact CD1-CD1 3.86Å; W197-F225 AromaticContact CD1-CE1 3.82Å; W197-F225 AromaticContact NE1-CD1 3.91Å; W197-F225 AromaticContact NE1-CE1 3.55Å; W197-F231 HydrophobicContact CH2-CD2 4.41Å; W197-F231 AromaticContact CH2-CE2 4Å; W197-F231 HydrophobicContact CH2-CE2 4Å; W197-F231 HydrophobicContact CZ2-CD2 4.24Å; W197-F231 HydrophobicContact CZ2-CE2 4.16Å; W197-F231 WeakPolarHBondContact CZ2-O 3.45Å; W197-K233 HydrophobicContact CH2-CB 3.71Å; W197-K233 HydrophobicContact CZ3-CB 4.2Å; W197-W335 HydrophobicContact CB-CH2 3.76Å; W197-W335 HydrophobicContact CB-CZ2 3.48Å; W197-W335 VanDerWaalsContact CB-CZ2 3.48Å; W197-W335 HydrophobicContact CB-CZ3 4.48Å; W197-W335 AromaticContact CD2-CZ2 3.61Å; W197-W335 HydrophobicContact CD2-CZ2 3.61Å; W197-W335 AromaticContact CD2-NE1 3.98Å; W197-W335 AromaticContact CE3-CE2 3.69Å; W197-W335 AromaticContact CE3-CZ2 3.81Å; W197-W335 HydrophobicContact CE3-CZ2 3.81Å; W197-W335 AromaticContact CE3-NE1 3.23Å; W197-W335 HydrophobicContact CG-CH2 4.07Å; W197-W335 AromaticContact CG-CZ2 3.47Å; W197-W335 HydrophobicContact CG-CZ2 3.47Å; W197-W335 VanDerWaalsContact CG-CZ2 3.47Å; W197-W335 AromaticContact CZ3-NE1 3.75Å
198	E	92.3	Very high	76.8	Confident	76 Å²	76	52 Å²	52	36%	0.355	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.1	169.8	-176.8	-165.6	172.8	0	0	108.7	F223 K224 V226 K391	E198-F223 CarbonylContact O-C 3.59Å; E198-F223 WeakPolarHBondContact O-CA 3.49Å; E198-F223 VanDerWaalsContact O-CB 3.31Å; E198-F223 WeakPolarHBondContact O-CB 3.42Å; E198-K224 HydrophobicContact CB-CB 4.5Å; E198-K224 PolarHBondContact N-O 3.15Å; E198-K224 PolarHBondContact O-N 2.88Å; E198-V226 HydrophobicContact CB-CG2 3.69Å; E198-K391 IonicContact OE1-NZ 3.61Å; E198-K391 PolarHBondContact OE1-NZ 2.92Å
199	P	94.4	Very high	79.5	Confident	6 Å²	6	46.3 Å²	46.3	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	144	172.3	29	-32.6	0	0	0	111.3	W335 F340 K391	P199-W335 HydrophobicContact CB-CE3 3.79Å; P199-W335 HydrophobicContact CB-CZ3 3.92Å; P199-W335 HydrophobicContact CG-CE3 3.98Å; P199-W335 HydrophobicContact CG-CZ3 4.49Å; P199-F340 HydrophobicContact CG-CB 4.08Å; P199-F340 HydrophobicContact CG-CD1 4.13Å; P199-K391 PolarHBondContact O-NZ 2.84Å
200	N	94.2	Very high	82	Confident	57 Å²	57	43.8 Å²	43.8	31%	0.305	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-50.5	179	-73.5	-53.8	0	0	0	111.7	S222 S343 K391	N200-S222 WeakPolarHBondContact CB-O 3.46Å; N200-S222 PolarHBondContact N-O 2.81Å; N200-S343 PolarHBondContact O-N 3.09Å; N200-S343 PolarHBondContact O-OG 2.98Å; N200-K391 PolarHBondContact OD1-NZ 3.04Å
201	H	97.4	Very high	84.3	Confident	47 Å²	47	45.7 Å²	45.7	22%	0.218	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.4	-179	176.5	68.8	0	0	0	111.2	S222 S342 S343	H201-S222 PolarHBondContact N-O 2.98Å; H201-S222 VanDerWaalsContact N-O 3.15Å; H201-S222 PolarHBondContact O-N 2.81Å; H201-S342 WeakPolarHBondContact CA-OG 3.26Å; H201-S342 PolarHBondContact N-OG 2.96Å; H201-S343 CarbonylContact C-O 3.55Å; H201-S343 WeakPolarHBondContact CA-O 3.24Å; H201-S343 WeakPolarHBondContact CA-OG 3.32Å; H201-S343 WeakPolarHBondContact CB-OG 3.09Å; H201-S343 PolarHBondContact ND1-OG 2.73Å
202	S	97.6	Very high	87	Confident	5 Å²	5	46 Å²	46	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	111.3	179.2	-59.7	0	0	0	0	110.9	S342 S343 Y344 E345	S202-S342 PolarHBondContact N-OG 2.71Å; S202-S342 PolarHBondContact OG-OG 2.7Å; S202-S343 PolarHBondContact N-O 3.33Å; S202-Y344 WeakPolarHBondContact O-CA 3.31Å; S202-E345 PolarHBondContact O-N 2.67Å; S202-E345 VanDerWaalsContact O-N 3.14Å
203	S	97.8	Very high	89.2	Confident	26 Å²	26	46.8 Å²	46.8	18%	0.182	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116.3	175.7	175.2	0	0	0	0	109.7	V219 V220 E345	S203-V219 CarbonylContact O-C 3.54Å; S203-V219 WeakPolarHBondContact O-CA 3.25Å; S203-V220 PolarHBondContact N-O 3.31Å; S203-V220 PolarHBondContact O-N 3.41Å; S203-E345 WeakPolarHBondContact CB-OE1 3.32Å; S203-E345 PolarHBondContact OG-OE1 2.77Å
204	I	98.1	Very high	91.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.9	-173	-58.7	161.4	0	0	0	109.1	L206 V219 F332 Y344 E345 F346 V347	I204-L206 HydrophobicContact CG2-CD1 4.23Å; I204-L206 HydrophobicContact CG2-CD2 4.49Å; I204-L206 HydrophobicContact CG2-CG 4.03Å; I204-V219 HydrophobicContact CG1-CG2 3.79Å; I204-F332 HydrophobicContact CD1-CD1 4.16Å; I204-F332 HydrophobicContact CD1-CD2 3.77Å; I204-F332 HydrophobicContact CD1-CE1 3.93Å; I204-F332 HydrophobicContact CD1-CE2 3.49Å; I204-F332 VanDerWaalsContact CD1-CE2 3.49Å; I204-F332 HydrophobicContact CD1-CG 4.1Å; I204-F332 HydrophobicContact CD1-CZ 3.59Å; I204-F332 HydrophobicContact CG1-CD2 4.25Å; I204-F332 HydrophobicContact CG1-CE2 4.42Å; I204-F332 HydrophobicContact CG1-CG 4.48Å; I204-F332 HydrophobicContact CG2-CD1 4.41Å; I204-F332 HydrophobicContact CG2-CG 4.39Å; I204-Y344 HydrophobicContact CD1-CD1 3.79Å; I204-Y344 HydrophobicContact CD1-CE1 4.42Å; I204-E345 PolarHBondContact N-O 3.11Å; I204-F346 HydrophobicContact CB-CD1 3.86Å; I204-F346 HydrophobicContact CB-CE1 3.93Å; I204-F346 HydrophobicContact CD1-CD1 4.34Å; I204-F346 HydrophobicContact CD1-CE1 3.68Å; I204-F346 HydrophobicContact CD1-CZ 3.96Å; I204-F346 HydrophobicContact CG1-CE1 4.43Å; I204-F346 HydrophobicContact CG2-CD1 3.87Å; I204-F346 HydrophobicContact CG2-CE1 3.77Å; I204-F346 WeakPolarHBondContact O-CA 3.4Å; I204-V347 PolarHBondContact O-N 3.1Å
205	K	97.6	Very high	93.4	Very high	70 Å²	70	38.6 Å²	38.6	30%	0.304	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	169.1	179.3	157.2	176.2	137.8	0	111	G217 K218 V347 D349	K205-G217 CarbonylContact O-C 3.55Å; K205-G217 WeakPolarHBondContact O-CA 3.26Å; K205-K218 PolarHBondContact N-O 2.8Å; K205-K218 PolarHBondContact O-N 3.12Å; K205-V347 CarbonylContact C-O 3.24Å; K205-V347 VanDerWaalsContact CA-O 3.26Å; K205-V347 WeakPolarHBondContact CA-O 3.44Å; K205-V347 HydrophobicContact CB-CB 4.1Å; K205-V347 HydrophobicContact CD-CB 4.21Å; K205-V347 HydrophobicContact CD-CG1 3.84Å; K205-V347 HydrophobicContact CG-CB 4.1Å; K205-V347 HydrophobicContact CG-CG1 4.17Å; K205-D349 VanDerWaalsContact CE-CG 3.42Å; K205-D349 WeakPolarHBondContact CE-OD1 3.47Å; K205-D349 WeakPolarHBondContact CE-OD2 3.42Å; K205-D349 IonicContact NZ-OD1 3.26Å; K205-D349 PolarHBondContact NZ-OD1 2.93Å; K205-D349 IonicContact NZ-OD2 3.34Å; K205-D349 PolarHBondContact NZ-OD2 3.16Å
206	L	97.5	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.7	178.3	-66.1	165.4	0	0	0	109.3	I204 I208 F215 F293 L304 F346 V347 V348 D349 L399	I204-L206 HydrophobicContact CG2-CD1 4.23Å; I204-L206 HydrophobicContact CG2-CD2 4.49Å; I204-L206 HydrophobicContact CG2-CG 4.03Å; L206-I208 HydrophobicContact CB-CD1 4.4Å; L206-I208 HydrophobicContact CB-CG1 4.13Å; L206-F215 HydrophobicContact CD2-CD2 3.97Å; L206-F215 HydrophobicContact CD2-CE2 4.37Å; L206-F293 HydrophobicContact CD2-CE2 4.49Å; L206-L304 HydrophobicContact CD1-CD1 4.06Å; L206-L304 HydrophobicContact CD2-CD1 4.38Å; L206-F346 HydrophobicContact CD1-CD1 4.46Å; L206-F346 HydrophobicContact CD1-CE1 4.46Å; L206-V347 PolarHBondContact N-O 3.5Å; L206-V348 CarbonylContact O-C 3.6Å; L206-V348 WeakPolarHBondContact O-CA 3.23Å; L206-D349 PolarHBondContact O-N 2.92Å; L206-L399 HydrophobicContact CD1-CD2 3.89Å
207	A	96.1	Very high	95	Very high	16 Å²	16	39.8 Å²	39.8	13%	0.132	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.2	164.3	0	0	0	0	0	108.4	F209 F215 L216 D349	A207-F209 HydrophobicContact CB-CE2 3.87Å; A207-F209 HydrophobicContact CB-CZ 4.15Å; A207-F209 WeakPolarHBondContact O-CD2 3.21Å; A207-F209 WeakPolarHBondContact O-CE2 3.35Å; A207-F215 CarbonylContact O-C 3.58Å; A207-F215 WeakPolarHBondContact O-CA 3.14Å; A207-F215 WeakPolarHBondContact O-CB 3.4Å; A207-L216 HydrophobicContact CB-CB 4.37Å; A207-L216 PolarHBondContact N-O 2.99Å; A207-L216 PolarHBondContact O-N 3.13Å; A207-D349 WeakPolarHBondContact CA-O 3.47Å; A207-D349 HydrophobicContact CB-CB 3.94Å
208	I	96.4	Very high	95.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.9	-168	-58.4	-178.3	0	0	0	108.8	L206 P210 F215 I297 I319 V348 D349 I350 L399	L206-I208 HydrophobicContact CB-CD1 4.4Å; L206-I208 HydrophobicContact CB-CG1 4.13Å; I208-P210 HydrophobicContact CG2-CG 4.41Å; I208-P210 WeakPolarHBondContact O-CD 3.3Å; I208-F215 HydrophobicContact CG1-CB 4.38Å; I208-I297 HydrophobicContact CG2-CD1 3.89Å; I208-I319 HydrophobicContact CD1-CG2 4.49Å; I208-I319 HydrophobicContact CG2-CB 4.49Å; I208-I319 HydrophobicContact CG2-CG1 4.06Å; I208-I319 HydrophobicContact CG2-CG2 4.08Å; I208-V348 HydrophobicContact CD1-CG1 3.89Å; I208-V348 HydrophobicContact CG1-CG1 4.43Å; I208-D349 PolarHBondContact N-O 3.5Å; I208-I350 HydrophobicContact CB-CD1 4.18Å; I208-I350 HydrophobicContact CB-CG1 4.42Å; I208-I350 HydrophobicContact CD1-CD1 4.41Å; I208-I350 HydrophobicContact CG2-CD1 4.24Å; I208-L399 HydrophobicContact CD1-CD2 4.46Å
209	F	94.6	Very high	95.6	Very high	53 Å²	53	39.2 Å²	39.2	23%	0.232	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	85.3	-178.2	-58.8	-89.5	0	0	0	109.4	A207 S211 L212 Y213 A214 L216 F381	A207-F209 HydrophobicContact CB-CE2 3.87Å; A207-F209 HydrophobicContact CB-CZ 4.15Å; A207-F209 WeakPolarHBondContact O-CD2 3.21Å; A207-F209 WeakPolarHBondContact O-CE2 3.35Å; F209-S211 VanDerWaalsContact C-N 3.27Å; F209-S211 PolarHBondContact O-N 2.87Å; F209-L212 HydrophobicContact CB-CB 3.98Å; F209-L212 HydrophobicContact CB-CD1 4.08Å; F209-L212 HydrophobicContact CB-CG 4.23Å; F209-L212 HydrophobicContact CD1-CD1 4.48Å; F209-L212 HydrophobicContact CG-CD1 4.4Å; F209-L212 PolarHBondContact O-N 2.92Å; F209-Y213 PolarHBondContact O-N 3.18Å; F209-A214 PolarHBondContact N-O 2.79Å; F209-L216 HydrophobicContact CE2-CD1 3.98Å; F209-L216 HydrophobicContact CE2-CG 3.89Å; F209-L216 HydrophobicContact CZ-CD1 4.33Å; F209-F381 HydrophobicContact CD1-CE1 4Å; F209-F381 AromaticContact CD1-CZ 3.72Å; F209-F381 HydrophobicContact CD1-CZ 3.72Å; F209-F381 AromaticContact CE1-CE1 3.91Å; F209-F381 HydrophobicContact CE1-CE1 3.91Å; F209-F381 AromaticContact CE1-CZ 3.82Å; F209-F381 HydrophobicContact CE1-CZ 3.82Å
210	P	92	Very high	95.7	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.026	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-56.2	-38.4	-174.4	-27.3	35.7	0	0	0	113.5	I208 L212 Y213 I319 Y354	I208-P210 HydrophobicContact CG2-CG 4.41Å; I208-P210 WeakPolarHBondContact O-CD 3.3Å; P210-L212 VanDerWaalsContact C-N 3.27Å; P210-L212 PolarHBondContact O-N 3.05Å; P210-Y213 WeakPolarHBondContact O-CD1 3.17Å; P210-Y213 WeakPolarHBondContact O-CE1 3.06Å; P210-Y213 PolarHBondContact O-N 3.08Å; P210-I319 HydrophobicContact CB-CD1 4.13Å; P210-I319 HydrophobicContact CB-CG1 4.36Å; P210-I319 HydrophobicContact CG-CD1 4.38Å; P210-I319 HydrophobicContact CG-CG1 4.08Å; P210-Y354 WeakPolarHBondContact CB-OH 3.32Å; P210-Y354 HydrophobicContact CG-CE1 4.06Å; P210-Y354 HydrophobicContact CG-CE2 4.2Å
211	S	88.9	Confident	95.9	Very high	101 Å²	101	36.9 Å²	36.9	71%	0.706	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-74	-8.7	178.3	52	0	0	0	0	115.2	F209	F209-S211 VanDerWaalsContact C-N 3.27Å; F209-S211 PolarHBondContact O-N 2.87Å
212	L	91.5	Very high	95.8	Very high	121 Å²	121	35.9 Å²	35.9	63%	0.634	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-114.1	1.7	177.7	-59.8	179.5	0	0	0	112.7	F209 P210 A214	F209-L212 HydrophobicContact CB-CB 3.98Å; F209-L212 HydrophobicContact CB-CD1 4.08Å; F209-L212 HydrophobicContact CB-CG 4.23Å; F209-L212 HydrophobicContact CD1-CD1 4.48Å; F209-L212 HydrophobicContact CG-CD1 4.4Å; F209-L212 PolarHBondContact O-N 2.92Å; P210-L212 VanDerWaalsContact C-N 3.27Å; P210-L212 PolarHBondContact O-N 3.05Å; L212-A214 HydrophobicContact CB-CB 4.46Å; L212-A214 PolarHBondContact O-N 3.26Å; L212-A214 VanDerWaalsContact O-N 3.14Å
213	Y	93.2	Very high	95.7	Very high	96 Å²	96	35.8 Å²	35.8	38%	0.376	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	41	-174.7	-47.4	-41.9	0	0	0	113	F209 P210 I297 R306 I317	F209-Y213 PolarHBondContact O-N 3.18Å; P210-Y213 WeakPolarHBondContact O-CD1 3.17Å; P210-Y213 WeakPolarHBondContact O-CE1 3.06Å; P210-Y213 PolarHBondContact O-N 3.08Å; Y213-I297 PolarHBondContact O-N 2.87Å; Y213-R306 VanDerWaalsContact CZ-NH1 3.3Å; Y213-R306 PolarHBondContact OH-NH1 3.36Å; Y213-I317 HydrophobicContact CE1-CD1 3.91Å
214	A	95	Very high	95.5	Very high	33 Å²	33	38.5 Å²	38.5	27%	0.273	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.3	-172.6	0	0	0	0	0	112.7	F209 L212	F209-A214 PolarHBondContact N-O 2.79Å; L212-A214 HydrophobicContact CB-CB 4.46Å; L212-A214 PolarHBondContact O-N 3.26Å; L212-A214 VanDerWaalsContact O-N 3.14Å
215	F	96.6	Very high	95.2	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	147.4	171.8	58	-93.6	0	0	0	112.6	L206 A207 I208 I239 F293 T294 G295 K296 I297 L304 A331	L206-F215 HydrophobicContact CD2-CD2 3.97Å; L206-F215 HydrophobicContact CD2-CE2 4.37Å; A207-F215 CarbonylContact O-C 3.58Å; A207-F215 WeakPolarHBondContact O-CA 3.14Å; A207-F215 WeakPolarHBondContact O-CB 3.4Å; I208-F215 HydrophobicContact CG1-CB 4.38Å; F215-I239 HydrophobicContact CZ-CG2 4.49Å; F215-F293 HydrophobicContact CE2-CD2 4.4Å; F215-F293 HydrophobicContact CE2-CE2 4.04Å; F215-T294 WeakPolarHBondContact O-CA 3.43Å; F215-G295 PolarHBondContact N-O 3.05Å; F215-G295 PolarHBondContact O-N 3.28Å; F215-K296 VanDerWaalsContact CE1-O 3.31Å; F215-K296 WeakPolarHBondContact CE1-O 3.2Å; F215-I297 HydrophobicContact CD1-CG1 3.89Å; F215-L304 HydrophobicContact CD1-CB 4.35Å; F215-L304 HydrophobicContact CD1-CD1 3.83Å; F215-L304 HydrophobicContact CD2-CD1 4.41Å; F215-L304 HydrophobicContact CE1-CB 3.94Å; F215-L304 HydrophobicContact CE1-CD1 3.82Å; F215-L304 HydrophobicContact CE1-CG 4.42Å; F215-L304 HydrophobicContact CE2-CD1 4.41Å; F215-L304 HydrophobicContact CG-CD1 4.13Å; F215-L304 HydrophobicContact CZ-CD1 4.12Å; F215-A331 WeakPolarHBondContact CE2-O 3.37Å
216	L	96.7	Very high	94.9	Very high	96 Å²	96	38.3 Å²	38.3	50%	0.503	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.6	169	-54.1	178.1	0	0	0	108	A207 F209 T294	A207-L216 HydrophobicContact CB-CB 4.37Å; A207-L216 PolarHBondContact N-O 2.99Å; A207-L216 PolarHBondContact O-N 3.13Å; F209-L216 HydrophobicContact CE2-CD1 3.98Å; F209-L216 HydrophobicContact CE2-CG 3.89Å; F209-L216 HydrophobicContact CZ-CD1 4.33Å; L216-T294 HydrophobicContact CD2-CG2 3.53Å
217	G	97	Very high	94.5	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.3	-175.5	0	0	0	0	0	113.4	K205 W292 F293	K205-G217 CarbonylContact O-C 3.55Å; K205-G217 WeakPolarHBondContact O-CA 3.26Å; G217-W292 CarbonylContact O-C 3.57Å; G217-W292 WeakPolarHBondContact O-CA 3.31Å; G217-F293 PolarHBondContact N-O 3.04Å; G217-F293 PolarHBondContact O-N 3.22Å
218	K	97.6	Very high	94.1	Very high	82 Å²	82	42 Å²	42	36%	0.357	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	120.6	166.6	-179.9	-159.2	173	-155.1	0	108.7	K205 V220 L291 W292	K205-K218 PolarHBondContact N-O 2.8Å; K205-K218 PolarHBondContact O-N 3.12Å; K218-V220 HydrophobicContact CD-CG2 4.48Å; K218-L291 CarbonylContact C-O 3.55Å; K218-L291 VanDerWaalsContact CA-O 3.26Å; K218-L291 WeakPolarHBondContact CA-O 3.4Å; K218-W292 HydrophobicContact CG-CD2 4.35Å; K218-W292 HydrophobicContact CG-CG 4.31Å
219	V	97.6	Very high	93.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.1	171.5	68.5	0	0	0	0	110.3	S203 I204 I221 S290 L291 F293 P333	S203-V219 CarbonylContact O-C 3.54Å; S203-V219 WeakPolarHBondContact O-CA 3.25Å; I204-V219 HydrophobicContact CG1-CG2 3.79Å; V219-I221 HydrophobicContact CG1-CD1 4.41Å; V219-I221 HydrophobicContact CG1-CG1 4.3Å; V219-I221 HydrophobicContact CG2-CD1 4.39Å; V219-I221 HydrophobicContact CG2-CG1 3.72Å; V219-S290 WeakPolarHBondContact O-CA 3.43Å; V219-L291 HydrophobicContact CG1-CB 3.87Å; V219-L291 HydrophobicContact CG1-CD1 4.28Å; V219-L291 PolarHBondContact N-O 2.88Å; V219-L291 PolarHBondContact O-N 2.96Å; V219-F293 HydrophobicContact CB-CE1 4.05Å; V219-F293 HydrophobicContact CG1-CE1 3.91Å; V219-P333 HydrophobicContact CG1-CB 4.4Å; V219-P333 HydrophobicContact CG1-CG 4.21Å
220	V	97.6	Very high	93.5	Very high	13 Å²	13	45.6 Å²	45.6	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	98.5	174.1	-174.6	0	0	0	0	108.5	S203 K218 K288 L289	S203-V220 PolarHBondContact N-O 3.31Å; S203-V220 PolarHBondContact O-N 3.41Å; K218-V220 HydrophobicContact CD-CG2 4.48Å; V220-K288 HydrophobicContact CG1-CD 4.26Å; V220-K288 VanDerWaalsContact CG1-CE 3.48Å; V220-K288 HydrophobicContact CG1-CG 3.81Å; V220-L289 CarbonylContact C-O 3.57Å; V220-L289 WeakPolarHBondContact CA-O 3.17Å
221	I	96.4	Very high	93.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.4	-176.7	-49	177.5	0	0	0	108.8	V219 F223 L234 K288 L289 W335	V219-I221 HydrophobicContact CG1-CD1 4.41Å; V219-I221 HydrophobicContact CG1-CG1 4.3Å; V219-I221 HydrophobicContact CG2-CD1 4.39Å; V219-I221 HydrophobicContact CG2-CG1 3.72Å; I221-F223 HydrophobicContact CG2-CB 4.48Å; I221-F223 HydrophobicContact CG2-CD1 4.2Å; I221-L234 HydrophobicContact CD1-CD1 3.83Å; I221-L234 HydrophobicContact CD1-CD2 3.99Å; I221-K288 CarbonylContact O-C 3.53Å; I221-K288 WeakPolarHBondContact O-CA 3.38Å; I221-L289 PolarHBondContact N-O 3.02Å; I221-L289 PolarHBondContact O-N 3.21Å; I221-W335 HydrophobicContact CG2-CE3 4.47Å; I221-W335 HydrophobicContact CG2-CZ3 3.75Å
222	S	96.4	Very high	93.4	Very high	26 Å²	26	44.8 Å²	44.8	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118	174	-49.3	0	0	0	0	108.4	N200 H201 A287	N200-S222 WeakPolarHBondContact CB-O 3.46Å; N200-S222 PolarHBondContact N-O 2.81Å; H201-S222 PolarHBondContact N-O 2.98Å; H201-S222 VanDerWaalsContact N-O 3.15Å; H201-S222 PolarHBondContact O-N 2.81Å; S222-A287 WeakPolarHBondContact CA-O 3.27Å
223	F	95.1	Very high	93.3	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	176	-169.9	70	-83.1	0	0	0	111.5	W197 E198 I221 F225 V232 I246 S286 A287 L289 W335	W197-F223 HydrophobicContact CB-CD2 4.09Å; W197-F223 AromaticContact CD1-CE2 3.66Å; W197-F223 HydrophobicContact CG-CD2 4.35Å; W197-F223 HydrophobicContact CG-CE2 4.33Å; E198-F223 CarbonylContact O-C 3.59Å; E198-F223 WeakPolarHBondContact O-CA 3.49Å; E198-F223 VanDerWaalsContact O-CB 3.31Å; E198-F223 WeakPolarHBondContact O-CB 3.42Å; I221-F223 HydrophobicContact CG2-CB 4.48Å; I221-F223 HydrophobicContact CG2-CD1 4.2Å; F223-F225 HydrophobicContact CD2-CE2 4.48Å; F223-F225 AromaticContact CE2-CD2 3.96Å; F223-F225 HydrophobicContact CE2-CD2 3.96Å; F223-F225 AromaticContact CE2-CE2 3.49Å; F223-F225 HydrophobicContact CE2-CE2 3.49Å; F223-F225 VanDerWaalsContact CE2-CE2 3.49Å; F223-F225 AromaticContact CE2-CZ 3.81Å; F223-F225 HydrophobicContact CE2-CZ 3.81Å; F223-F225 AromaticContact CZ-CE2 3.91Å; F223-F225 HydrophobicContact CZ-CE2 3.91Å; F223-F225 HydrophobicContact CZ-CZ 4.14Å; F223-V232 HydrophobicContact CE2-CG2 4.46Å; F223-V232 HydrophobicContact CZ-CG1 4.24Å; F223-V232 HydrophobicContact CZ-CG2 3.94Å; F223-I246 HydrophobicContact CE1-CD1 4.48Å; F223-I246 HydrophobicContact CZ-CD1 4.12Å; F223-S286 CarbonylContact O-C 3.58Å; F223-S286 WeakPolarHBondContact O-CA 3.47Å; F223-A287 HydrophobicContact CD1-CB 4.12Å; F223-A287 HydrophobicContact CD2-CB 4.35Å; F223-A287 HydrophobicContact CE1-CB 3.62Å; F223-A287 HydrophobicContact CE2-CB 3.87Å; F223-A287 HydrophobicContact CG-CB 4.47Å; F223-A287 HydrophobicContact CZ-CB 3.49Å; F223-A287 VanDerWaalsContact CZ-CB 3.49Å; F223-A287 PolarHBondContact N-O 2.75Å; F223-A287 PolarHBondContact O-N 2.94Å; F223-L289 HydrophobicContact CE1-CB 3.82Å; F223-W335 HydrophobicContact CB-CH2 3.96Å; F223-W335 HydrophobicContact CB-CZ3 3.83Å; F223-W335 AromaticContact CD1-CH2 3.96Å; F223-W335 HydrophobicContact CD1-CH2 3.96Å; F223-W335 HydrophobicContact CD1-CZ3 4.35Å; F223-W335 AromaticContact CD2-CH2 3.7Å; F223-W335 HydrophobicContact CD2-CH2 3.7Å; F223-W335 HydrophobicContact CD2-CZ3 4.45Å; F223-W335 HydrophobicContact CE1-CH2 4.36Å; F223-W335 HydrophobicContact CE2-CH2 4.12Å; F223-W335 AromaticContact CG-CH2 3.61Å; F223-W335 HydrophobicContact CG-CH2 3.61Å; F223-W335 AromaticContact CG-CZ3 3.99Å; F223-W335 HydrophobicContact CG-CZ3 3.99Å; F223-W335 HydrophobicContact CZ-CH2 4.43Å
224	K	93.7	Very high	93.3	Very high	82 Å²	82	38.6 Å²	38.6	36%	0.357	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.3	178.9	-174.5	179.1	177.4	-176	0	110.8	W197 E198 T285	W197-K224 CarbonylContact C-O 3.54Å; W197-K224 VanDerWaalsContact CA-O 3.32Å; W197-K224 WeakPolarHBondContact CA-O 3.21Å; E198-K224 HydrophobicContact CB-CB 4.5Å; E198-K224 PolarHBondContact N-O 3.15Å; E198-K224 PolarHBondContact O-N 2.88Å; K224-T285 WeakPolarHBondContact CA-O 3.4Å
225	F	91.6	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.3	171.7	-74.6	-98.6	0	0	0	110.1	W197 F223 A229 V232 L248 L277 V281 G284 T285 A287	W197-F225 AromaticContact CD1-CD1 3.86Å; W197-F225 AromaticContact CD1-CE1 3.82Å; W197-F225 AromaticContact NE1-CD1 3.91Å; W197-F225 AromaticContact NE1-CE1 3.55Å; F223-F225 HydrophobicContact CD2-CE2 4.48Å; F223-F225 AromaticContact CE2-CD2 3.96Å; F223-F225 HydrophobicContact CE2-CD2 3.96Å; F223-F225 AromaticContact CE2-CE2 3.49Å; F223-F225 HydrophobicContact CE2-CE2 3.49Å; F223-F225 VanDerWaalsContact CE2-CE2 3.49Å; F223-F225 AromaticContact CE2-CZ 3.81Å; F223-F225 HydrophobicContact CE2-CZ 3.81Å; F223-F225 AromaticContact CZ-CE2 3.91Å; F223-F225 HydrophobicContact CZ-CE2 3.91Å; F223-F225 HydrophobicContact CZ-CZ 4.14Å; F225-A229 HydrophobicContact CD1-CB 4.2Å; F225-A229 HydrophobicContact CE1-CB 4.09Å; F225-V232 HydrophobicContact CZ-CG2 4.05Å; F225-L248 HydrophobicContact CE2-CD2 4.16Å; F225-L277 HydrophobicContact CE1-CD1 4.17Å; F225-L277 HydrophobicContact CZ-CD1 3.82Å; F225-V281 HydrophobicContact CB-CG1 4.48Å; F225-V281 HydrophobicContact CD1-CB 4.17Å; F225-V281 HydrophobicContact CD1-CG1 4.14Å; F225-V281 HydrophobicContact CD2-CB 4.36Å; F225-V281 HydrophobicContact CD2-CG1 3.56Å; F225-V281 HydrophobicContact CE1-CB 3.99Å; F225-V281 HydrophobicContact CE1-CG1 4.24Å; F225-V281 HydrophobicContact CE2-CB 4.19Å; F225-V281 HydrophobicContact CE2-CG1 3.68Å; F225-V281 HydrophobicContact CG-CB 4.35Å; F225-V281 HydrophobicContact CG-CG1 3.81Å; F225-V281 HydrophobicContact CZ-CB 4Å; F225-V281 HydrophobicContact CZ-CG1 4.02Å; F225-V281 HydrophobicContact CZ-CG2 4.23Å; F225-G284 PolarHBondContact O-N 2.97Å; F225-T285 PolarHBondContact N-O 3.07Å; F225-A287 HydrophobicContact CD2-CB 4.33Å; F225-A287 HydrophobicContact CE2-CB 3.79Å
226	V	90.9	Very high	92.8	Very high	66 Å²	66	38 Å²	38	40%	0.4	20%	0.198	S	C	.	.	S	Bend	trans	-98.6	-31.5	-179.5	178.2	0	0	0	0	110.9	T195 T196 E198	T195-V226 WeakPolarHBondContact O-CB 3.41Å; T196-V226 PolarHBondContact O-N 2.99Å; E198-V226 HydrophobicContact CB-CG2 3.69Å
227	S	89.6	Confident	92.4	Very high	49 Å²	49	34 Å²	34	34%	0.343	18%	0.177	S	C	.	.	S	Bend	trans	-120.8	158.2	161.2	69.5	0	0	0	0	110	T196	T196-S227 WeakPolarHBondContact CA-OG 3.27Å; T196-S227 WeakPolarHBondContact CG2-OG 3.45Å; T196-S227 PolarHBondContact O-N 3.45Å
228	A	87.3	Confident	91.8	Very high	44 Å²	44	38.5 Å²	38.5	36%	0.364	20%	0.196	S	C	.	.			trans	-71.7	134.7	179.5	0	0	0	0	0	110.8	V281 V283	A228-V281 CarbonylContact C-O 3.51Å; A228-V281 WeakPolarHBondContact CA-O 3.38Å; A228-V281 WeakPolarHBondContact CB-O 3.43Å; A228-V283 HydrophobicContact CB-CG2 4.34Å
229	A	89.4	Confident	91.4	Very high	8 Å²	8	34.7 Å²	34.7	7%	0.066	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.6	-175.5	0	0	0	0	0	114.2	T196 F225 N280 V281	T196-A229 HydrophobicContact CG2-CB 3.61Å; F225-A229 HydrophobicContact CD1-CB 4.2Å; F225-A229 HydrophobicContact CE1-CB 4.09Å; A229-N280 VanDerWaalsContact CA-OD1 3.3Å; A229-N280 WeakPolarHBondContact CA-OD1 3.25Å; A229-N280 PolarHBondContact N-OD1 3.47Å; A229-N280 PolarHBondContact O-OD1 2.78Å; A229-V281 PolarHBondContact N-O 3.06Å; A229-V281 PolarHBondContact O-N 2.71Å
230	K	88.8	Confident	91	Very high	123 Å²	123	42 Å²	42	54%	0.535	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	5	176	-153.8	-161.5	169.2	-171.3	0	113.3	L277 N280	K230-L277 WeakPolarHBondContact CE-O 3.29Å; K230-L277 WeakPolarHBondContact CG-O 3.48Å; K230-L277 WeakPolarHBondContact O-CB 3.33Å; K230-L277 PolarHBondContact O-N 3.27Å; K230-N280 PolarHBondContact N-OD1 3.44Å
231	F	89.1	Confident	90.6	Very high	88 Å²	88	42 Å²	42	39%	0.386	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	163.6	175.5	63.7	-89.7	0	0	0	110.6	W197 K233 V274 I275	W197-F231 HydrophobicContact CH2-CD2 4.41Å; W197-F231 AromaticContact CH2-CE2 4Å; W197-F231 HydrophobicContact CH2-CE2 4Å; W197-F231 HydrophobicContact CZ2-CD2 4.24Å; W197-F231 HydrophobicContact CZ2-CE2 4.16Å; W197-F231 WeakPolarHBondContact CZ2-O 3.45Å; F231-K233 HydrophobicContact CD2-CB 4.09Å; F231-K233 HydrophobicContact CE2-CB 3.97Å; F231-V274 HydrophobicContact CB-CG1 4.37Å; F231-V274 HydrophobicContact CD2-CG1 4.37Å; F231-I275 CarbonylContact C-O 3.58Å; F231-I275 VanDerWaalsContact CA-O 3.25Å; F231-I275 WeakPolarHBondContact CA-O 3.31Å
232	V	90.1	Very high	90.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.5	163.2	-170.7	0	0	0	0	107.5	F223 F225 I246 I275 L277 L289 W335	F223-V232 HydrophobicContact CE2-CG2 4.46Å; F223-V232 HydrophobicContact CZ-CG1 4.24Å; F223-V232 HydrophobicContact CZ-CG2 3.94Å; F225-V232 HydrophobicContact CZ-CG2 4.05Å; V232-I246 HydrophobicContact CG2-CD1 4.29Å; V232-I275 HydrophobicContact CB-CB 4.34Å; V232-I275 PolarHBondContact N-O 3.03Å; V232-I275 PolarHBondContact O-N 3.45Å; V232-L277 HydrophobicContact CG2-CD1 4.16Å; V232-L277 HydrophobicContact CG2-CD2 4.38Å; V232-L289 HydrophobicContact CG1-CD2 4.35Å; V232-W335 HydrophobicContact CG1-CH2 4.29Å; V232-W335 HydrophobicContact CG1-CZ2 3.77Å
233	K	90.3	Very high	90	Very high	87 Å²	87	54 Å²	54	38%	0.378	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.3	174.1	179.5	177.5	177.7	-177.9	0	109.3	W197 F231 N272 V274 W335	W197-K233 HydrophobicContact CH2-CB 3.71Å; W197-K233 HydrophobicContact CZ3-CB 4.2Å; F231-K233 HydrophobicContact CD2-CB 4.09Å; F231-K233 HydrophobicContact CE2-CB 3.97Å; K233-N272 WeakPolarHBondContact CE-OD1 3.38Å; K233-N272 PolarHBondContact NZ-OD1 2.98Å; K233-V274 HydrophobicContact CB-CG2 4.39Å; K233-V274 HydrophobicContact CD-CG2 4.42Å; K233-V274 HydrophobicContact CG-CG2 4.07Å; K233-W335 PolarHBondContact O-NE1 3.46Å
234	L	92.4	Very high	89.7	Confident	1 Å²	1	54 Å²	54	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	156.4	173.2	-63.5	170	0	0	0	109.7	I221 N272 V273 I275 L289 L291 P333 W335	I221-L234 HydrophobicContact CD1-CD1 3.83Å; I221-L234 HydrophobicContact CD1-CD2 3.99Å; L234-N272 CarbonylContact O-C 3.59Å; L234-N272 WeakPolarHBondContact O-CA 3.29Å; L234-V273 HydrophobicContact CB-CB 4.48Å; L234-V273 PolarHBondContact N-O 3.2Å; L234-V273 PolarHBondContact O-N 3.27Å; L234-I275 HydrophobicContact CD1-CD1 4.5Å; L234-L289 HydrophobicContact CD1-CD2 3.86Å; L234-L291 HydrophobicContact CD1-CD1 3.57Å; L234-P333 HydrophobicContact CD1-CB 3.96Å; L234-W335 HydrophobicContact CD2-CD2 3.64Å; L234-W335 VanDerWaalsContact CD2-CE2 3.47Å; L234-W335 HydrophobicContact CD2-CE3 4Å; L234-W335 HydrophobicContact CD2-CG 4.11Å; L234-W335 HydrophobicContact CD2-CH2 4.08Å; L234-W335 HydrophobicContact CD2-CZ2 3.71Å; L234-W335 HydrophobicContact CD2-CZ3 4.22Å
235	N	91.5	Very high	89.6	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	144.6	160.7	-53.7	88.4	0	0	0	109	R329 P333 C334 D336	N235-R329 HydrophobicContact CB-CB 3.73Å; N235-P333 WeakPolarHBondContact O-CA 3.38Å; N235-C334 WeakPolarHBondContact CB-O 3.08Å; N235-C334 PolarHBondContact N-O 2.85Å; N235-C334 PolarHBondContact O-N 3.28Å; N235-C334 VanDerWaalsContact O-N 3.16Å; N235-C334 PolarHBondContact OD1-O 2.84Å; N235-D336 HydrophobicContact CB-CB 3.82Å; N235-D336 PolarHBondContact OD1-N 3.25Å
236	G	89.6	Confident	89.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.236	C	C	.	.			trans	-179	118.6	174.6	0	0	0	0	0	109.1	R271 N272 R329	G236-R271 PolarHBondContact N-O 3.34Å; G236-R271 VanDerWaalsContact N-O 3.13Å; G236-R271 CarbonylContact O-C 3.54Å; G236-R271 WeakPolarHBondContact O-CA 3.38Å; G236-N272 PolarHBondContact O-N 3.03Å; G236-R329 WeakPolarHBondContact CA-O 3.49Å
237	D	87.7	Confident	89.4	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.07	22%	0.224	C	C	.	.	S	Bend	trans	-131.6	144.6	-174.4	-154	-10.8	0	0	0	109.9	I239 R271 R329 F330	D237-I239 PolarHBondContact O-N 2.87Å; D237-R271 HydrophobicContact CB-CB 4.49Å; D237-R271 VanDerWaalsContact OD2-CD 3.22Å; D237-R271 WeakPolarHBondContact OD2-CD 3.43Å; D237-R271 WeakPolarHBondContact OD2-CG 3.2Å; D237-R271 IonicContact OD2-NE 2.71Å; D237-R271 PolarHBondContact OD2-NE 2.86Å; D237-R271 VanDerWaalsContact OD2-NE 3.09Å; D237-R329 HydrophobicContact CB-CG 4.3Å; D237-R329 PolarHBondContact N-O 3.01Å; D237-F330 HydrophobicContact CB-CD1 4.01Å; D237-F330 HydrophobicContact CB-CD2 4.5Å; D237-F330 HydrophobicContact CB-CE1 3.7Å; D237-F330 HydrophobicContact CB-CE2 4.22Å; D237-F330 HydrophobicContact CB-CG 4.41Å; D237-F330 HydrophobicContact CB-CZ 3.82Å; D237-F330 WeakPolarHBondContact O-CA 3.25Å
238	E	86.1	Confident	89.1	Confident	99 Å²	99	49 Å²	49	46%	0.463	22%	0.221	S	C	.	.	S	Bend	trans	47.8	-5.1	-165.7	-66.8	-162.4	-151.7	0	0	118.3	R300 F330	E238-R300 IonicContact OE1-CZ 3.63Å; E238-R300 IonicContact OE1-NH1 3.6Å; E238-R300 PolarHBondContact OE1-NH1 2.75Å; E238-R300 IonicContact OE1-NH2 3.33Å; E238-R300 PolarHBondContact OE1-NH2 3.36Å; E238-F330 HydrophobicContact CB-CD1 4.25Å; E238-F330 HydrophobicContact CG-CD1 4.4Å; E238-F330 HydrophobicContact CG-CE1 4.28Å
239	I	88.7	Confident	88.7	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	23%	0.225	C	C	.	.			trans	-86.2	129.8	178.3	57.7	176.7	0	0	0	112.6	F215 D237 F266 F330 P333	F215-I239 HydrophobicContact CZ-CG2 4.49Å; D237-I239 PolarHBondContact O-N 2.87Å; I239-F266 WeakPolarHBondContact O-CE1 3.23Å; I239-F266 VanDerWaalsContact O-CZ 3.3Å; I239-F266 WeakPolarHBondContact O-CZ 3.4Å; I239-F330 VanDerWaalsContact CG2-O 3.3Å; I239-F330 WeakPolarHBondContact CG2-O 3.22Å; I239-P333 HydrophobicContact CD1-CB 4.3Å; I239-P333 HydrophobicContact CD1-CG 3.65Å
240	R	89.6	Confident	87.5	Confident	154 Å²	154	56 Å²	56	58%	0.581	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	107.8	178.8	-175.3	172.9	179.6	175.2	2.7	111.6	F293 T294	R240-F293 CarbonylContact O-C 3.4Å; R240-F293 VanDerWaalsContact O-CA 3.26Å; R240-F293 WeakPolarHBondContact O-CA 3.39Å; R240-T294 PolarHBondContact N-O 2.98Å; R240-T294 PolarHBondContact O-N 3.36Å
241	I	89.4	Confident	85.5	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	137	170	-49.3	-55.5	0	0	0	110	T264 F266 V273 L291 F293 P333	I241-T264 HydrophobicContact CG2-CG2 4.08Å; I241-F266 HydrophobicContact CG1-CZ 4.18Å; I241-V273 HydrophobicContact CD1-CG1 4.32Å; I241-V273 HydrophobicContact CD1-CG2 4.09Å; I241-V273 HydrophobicContact CG1-CG1 3.94Å; I241-V273 HydrophobicContact CG1-CG2 4.01Å; I241-L291 HydrophobicContact CD1-CD2 4.47Å; I241-L291 HydrophobicContact CG2-CD2 4Å; I241-F293 HydrophobicContact CD1-CB 3.91Å; I241-P333 HydrophobicContact CD1-CG 3.69Å
242	R	90	Very high	83.5	Confident	146 Å²	146	51.9 Å²	51.9	55%	0.551	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	-28.8	177.6	-56.8	-56.6	-175.5	134.6	5.2	112.7	W292 T294	R242-W292 PolarHBondContact N-O 2.8Å; R242-T294 HydrophobicContact CG-CG2 3.92Å; R242-T294 PolarHBondContact NE-OG1 3.38Å; R242-T294 PolarHBondContact NH2-OG1 3.45Å
243	R	89.6	Confident	81.5	Confident	133 Å²	133	64.3 Å²	64.3	50%	0.502	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141	176.5	-172.3	179.2	-173	172	4.5	110.5	L291 W292	R243-L291 WeakPolarHBondContact O-CA 3.43Å; R243-W292 HydrophobicContact CB-CB 4.2Å; R243-W292 HydrophobicContact CB-CD2 4.3Å; R243-W292 HydrophobicContact CB-CE3 3.81Å; R243-W292 HydrophobicContact CG-CE3 3.89Å; R243-W292 HydrophobicContact CG-CZ3 4.15Å; R243-W292 PolarHBondContact N-O 2.93Å; R243-W292 PolarHBondContact O-N 3.32Å
244	A	89.4	Confident	79	Confident	4 Å²	4	67.2 Å²	67.2	3%	0.033	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140.8	169.5	0	0	0	0	0	110.6	N261 L262 T264 L291	A244-N261 WeakPolarHBondContact O-CA 3.5Å; A244-L262 HydrophobicContact CB-CB 4.1Å; A244-L262 PolarHBondContact O-N 2.64Å; A244-L262 VanDerWaalsContact O-N 3.16Å; A244-T264 HydrophobicContact CB-CG2 3.45Å; A244-T264 VanDerWaalsContact CB-CG2 3.45Å; A244-L291 HydrophobicContact CB-CD2 3.51Å
245	S	90.4	Very high	76.3	Confident	9 Å²	9	69.8 Å²	69.8	6%	0.063	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	140.2	170.4	55.8	0	0	0	0	111	S260 S290	S245-S260 VanDerWaalsContact CA-O 3.27Å; S245-S260 WeakPolarHBondContact CA-O 3.43Å; S245-S260 WeakPolarHBondContact CB-O 3.4Å; S245-S290 PolarHBondContact N-O 2.73Å; S245-S290 PolarHBondContact O-N 2.67Å
246	I	89	Confident	73.4	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.015	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.5	178.9	-160.5	167.3	0	0	0	110.8	F223 V232 L248 L262 L277 A287 K288 L289	F223-I246 HydrophobicContact CE1-CD1 4.48Å; F223-I246 HydrophobicContact CZ-CD1 4.12Å; V232-I246 HydrophobicContact CG2-CD1 4.29Å; I246-L248 HydrophobicContact CD1-CD2 3.91Å; I246-L248 HydrophobicContact CG1-CD2 4.12Å; I246-L262 HydrophobicContact CB-CD1 3.73Å; I246-L262 HydrophobicContact CG2-CD1 3.68Å; I246-L262 HydrophobicContact CG2-CD2 4.28Å; I246-L262 HydrophobicContact CG2-CG 4.45Å; I246-L277 HydrophobicContact CD1-CD2 4.11Å; I246-L277 HydrophobicContact CG2-CD2 4.31Å; I246-A287 HydrophobicContact CD1-CB 4.2Å; I246-A287 HydrophobicContact CG1-CB 4.4Å; I246-K288 WeakPolarHBondContact CA-O 3.41Å; I246-L289 HydrophobicContact CB-CD1 4.43Å; I246-L289 HydrophobicContact CG1-CB 4.34Å
247	T	88.6	Confident	71.1	Confident	26 Å²	26	77.4 Å²	77.4	16%	0.16	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.4	162.6	-54.2	0	0	0	0	108.1	E249 T257 A287 K288	T247-E249 HydrophobicContact CG2-CG 4.46Å; T247-T257 HydrophobicContact CG2-CG2 3.82Å; T247-A287 CarbonylContact O-C 3.45Å; T247-A287 VanDerWaalsContact O-CA 3.3Å; T247-A287 WeakPolarHBondContact O-CA 3.48Å; T247-K288 PolarHBondContact N-O 3.2Å; T247-K288 PolarHBondContact O-N 2.95Å
248	L	85.1	Confident	69.2	Low	52 Å²	52	83.2 Å²	83.2	27%	0.272	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.4	177.6	-59.4	178.5	0	0	0	110.3	F225 I246 V281 T285 A287	F225-L248 HydrophobicContact CE2-CD2 4.16Å; I246-L248 HydrophobicContact CD1-CD2 3.91Å; I246-L248 HydrophobicContact CG1-CD2 4.12Å; L248-V281 HydrophobicContact CD1-CG1 4.47Å; L248-V281 HydrophobicContact CD1-CG2 3.66Å; L248-V281 HydrophobicContact CD2-CG1 4.47Å; L248-V281 HydrophobicContact CD2-CG2 4.38Å; L248-T285 HydrophobicContact CB-CG2 4.17Å; L248-T285 HydrophobicContact CD2-CG2 4.34Å; L248-A287 HydrophobicContact CD2-CB 3.65Å
249	E	78.4	Confident	67.5	Low	95 Å²	95	86.3 Å²	86.3	44%	0.444	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.9	-171.5	-70.6	172.1	-158	0	0	111.5	T247 S286	T247-E249 HydrophobicContact CG2-CG 4.46Å; E249-S286 PolarHBondContact N-O 3.4Å; E249-S286 PolarHBondContact O-N 3.48Å
250	P	62.9	Low	65.9	Low	106 Å²	106	88.2 Å²	88.2	69%	0.688	45%	0.454	S	S	*	.	S	Bend	cis	-64	153.3	-13.2	30.4	-35.7	0	0	0	111	G252	P250-G252 PolarHBondContact O-N 3.14Å
251	P	46.9	Very low	64.4	Low	53 Å²	53	86.6 Å²	86.6	34%	0.344	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-62.8	120.1	-179	25.7	-34.4	0	0	0	110.9	R253 G255	P251-R253 PolarHBondContact O-N 2.93Å; P251-G255 WeakPolarHBondContact CB-O 3.48Å; P251-G255 WeakPolarHBondContact CG-O 3.32Å
252	G	48.2	Very low	63.2	Low	70 Å²	70	87 Å²	87	72%	0.722	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	121.1	-176.5	0	0	0	0	0	112.8	P250 L254	P250-G252 PolarHBondContact O-N 3.14Å; G252-L254 PolarHBondContact O-N 3.29Å
253	R	48	Very low	61.9	Low	261 Å²	261	86.6 Å²	86.6	99%	0.985	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	-30.8	173.8	-74.9	-168	176.9	-171.8	-0.2	120.7	P251	P251-R253 PolarHBondContact O-N 2.93Å
254	L	37.7	Very low	61	Low	149 Å²	149	82 Å²	82	78%	0.78	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	9.2	-176.8	-78.7	160.9	0	0	0	113.2	G252 C256	G252-L254 PolarHBondContact O-N 3.29Å; L254-C256 PolarHBondContact O-N 3.08Å; L254-C256 PolarHBondContact O-SG 3.02Å
255	G	34.9	Very low	60.2	Low	54 Å²	54	84.2 Å²	84.2	56%	0.557	46%	0.463	S	S	*	.			trans	70.3	-17.1	168.9	0	0	0	0	0	117.1	P251	P251-G255 WeakPolarHBondContact CB-O 3.48Å; P251-G255 WeakPolarHBondContact CG-O 3.32Å
256	C	32.2	Very low	59.2	Low	92 Å²	92	87.9 Å²	87.9	62%	0.622	48%	0.478	S	S	*	.			trans	-81.4	129.3	-176.8	-58.9	0	0	0	0	113.4	L254 K258	L254-C256 PolarHBondContact O-N 3.08Å; L254-C256 PolarHBondContact O-SG 3.02Å; C256-K258 VanDerWaalsContact C-N 3.3Å; C256-K258 PolarHBondContact O-N 3.44Å
257	T	40.2	Very low	57.7	Low	90 Å²	90	88.9 Å²	88.9	55%	0.552	49%	0.49	S	S	*	.			trans	-68.8	84.4	161.4	46.2	0	0	0	0	110.4	T247 K259	T247-T257 HydrophobicContact CG2-CG2 3.82Å; T257-K259 VanDerWaalsContact C-N 3.33Å; T257-K259 PolarHBondContact O-N 2.97Å
258	K	48	Very low	56	Low	134 Å²	134	96.7 Å²	96.7	58%	0.583	53%	0.525	S	S	*	.			trans	-62.6	84.8	175.5	-73	-171.5	-177.4	-177.8	0	111.6	C256 S260 E279	C256-K258 VanDerWaalsContact C-N 3.3Å; C256-K258 PolarHBondContact O-N 3.44Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-S260 PolarHBondContact O-N 3.44Å; K258-E279 IonicContact NZ-OE1 2.7Å; K258-E279 PolarHBondContact NZ-OE1 3.46Å
259	K	51	Low	54.6	Low	164 Å²	164	97.1 Å²	97.1	71%	0.713	54%	0.542	S	S	*	.			trans	-67.3	90.5	162.2	-96.6	-176	176.1	171.5	0	109.4	T257	T257-K259 VanDerWaalsContact C-N 3.33Å; T257-K259 PolarHBondContact O-N 2.97Å
260	S	55.3	Low	53.8	Low	43 Å²	43	95.7 Å²	95.7	30%	0.301	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.6	165.5	38.4	0	0	0	0	109.5	S245 K258 L262	S245-S260 VanDerWaalsContact CA-O 3.27Å; S245-S260 WeakPolarHBondContact CA-O 3.43Å; S245-S260 WeakPolarHBondContact CB-O 3.4Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-S260 PolarHBondContact O-N 3.44Å; S260-L262 VanDerWaalsContact OG-CD2 3.32Å; S260-L262 WeakPolarHBondContact OG-CD2 3.31Å
261	N	57.3	Low	54.4	Low	121 Å²	121	96.8 Å²	96.8	65%	0.647	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	127	151.2	-72.9	-30.1	0	0	0	105.8	A244	A244-N261 WeakPolarHBondContact O-CA 3.5Å
262	L	64.8	Low	56.1	Low	23 Å²	23	95.8 Å²	95.8	12%	0.12	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-102.2	144.4	-172.3	-61.3	158.8	0	0	0	110.6	A244 I246 S260 I275 D276 L277 L289	A244-L262 HydrophobicContact CB-CB 4.1Å; A244-L262 PolarHBondContact O-N 2.64Å; A244-L262 VanDerWaalsContact O-N 3.16Å; I246-L262 HydrophobicContact CB-CD1 3.73Å; I246-L262 HydrophobicContact CG2-CD1 3.68Å; I246-L262 HydrophobicContact CG2-CD2 4.28Å; I246-L262 HydrophobicContact CG2-CG 4.45Å; S260-L262 VanDerWaalsContact OG-CD2 3.32Å; S260-L262 WeakPolarHBondContact OG-CD2 3.31Å; L262-I275 HydrophobicContact CB-CG2 3.63Å; L262-I275 HydrophobicContact CD1-CG2 3.45Å; L262-I275 VanDerWaalsContact CD1-CG2 3.45Å; L262-I275 HydrophobicContact CD2-CG2 4.49Å; L262-I275 HydrophobicContact CG-CG2 4.03Å; L262-D276 WeakPolarHBondContact CD2-O 3.34Å; L262-L277 HydrophobicContact CD2-CD2 4.26Å; L262-L289 HydrophobicContact CD1-CD1 4.44Å
263	H	62.8	Low	57.9	Low	136 Å²	136	92.5 Å²	92.5	63%	0.63	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-73.8	126.6	167.7	-168.5	-94	0	0	0	108.7
264	T	70.9	Confident	59.9	Low	37 Å²	37	81.3 Å²	81.3	23%	0.227	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.2	179.6	54.1	0	0	0	0	109.1	I241 A244 V274 I275	I241-T264 HydrophobicContact CG2-CG2 4.08Å; A244-T264 HydrophobicContact CB-CG2 3.45Å; A244-T264 VanDerWaalsContact CB-CG2 3.45Å; T264-V274 CarbonylContact C-O 3.52Å; T264-V274 WeakPolarHBondContact CA-O 3.49Å; T264-I275 HydrophobicContact CG2-CG1 4.33Å
265	T	72.1	Confident	62.2	Low	50 Å²	50	74.2 Å²	74.2	31%	0.307	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	142.7	170.4	44.9	0	0	0	0	109.7	V274	T265-V274 PolarHBondContact N-O 3.24Å; T265-V274 PolarHBondContact O-N 2.76Å; T265-V274 WeakPolarHBondContact OG1-CB 3.47Å
266	F	68.8	Low	64.6	Low	86 Å²	86	75.3 Å²	75.3	38%	0.377	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.2	161.5	-73.4	-86.5	0	0	0	108	I239 I241 S270 N272 V273	I239-F266 WeakPolarHBondContact O-CE1 3.23Å; I239-F266 VanDerWaalsContact O-CZ 3.3Å; I239-F266 WeakPolarHBondContact O-CZ 3.4Å; I241-F266 HydrophobicContact CG1-CZ 4.18Å; F266-S270 WeakPolarHBondContact CD1-O 3.45Å; F266-N272 WeakPolarHBondContact CA-O 3.43Å; F266-V273 HydrophobicContact CD1-CG2 4.48Å; F266-V273 HydrophobicContact CE1-CG2 4.07Å
267	G	57.4	Low	67.2	Low	25 Å²	25	71.4 Å²	71.4	26%	0.258	38%	0.379	S	S	.	.			trans	-71.1	178.2	174.4	0	0	0	0	0	112.6	G269 S270 N272	G267-G269 PolarHBondContact O-N 3.1Å; G267-S270 WeakPolarHBondContact O-CA 3.37Å; G267-S270 PolarHBondContact O-N 2.85Å; G267-N272 PolarHBondContact N-O 3.03Å
268	E	52.3	Low	69	Low	190 Å²	190	71.4 Å²	71.4	89%	0.888	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-51.5	137.1	173.1	-64.7	177.4	149.4	0	0	111.5	S270	E268-S270 PolarHBondContact O-N 3.46Å
269	G	57.3	Low	70.6	Confident	61 Å²	61	70.6 Å²	70.6	63%	0.629	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	65.2	12.9	-174.2	0	0	0	0	0	115	G267 R271	G267-G269 PolarHBondContact O-N 3.1Å; G269-R271 VanDerWaalsContact O-CG 3.22Å; G269-R271 WeakPolarHBondContact O-CG 3.38Å; G269-R271 PolarHBondContact O-N 3.25Å
270	S	60.8	Low	72.2	Confident	65 Å²	65	66.9 Å²	66.9	46%	0.455	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	58	-4.1	-178.2	42.6	0	0	0	0	118	F266 G267 E268 N272	F266-S270 WeakPolarHBondContact CD1-O 3.45Å; G267-S270 WeakPolarHBondContact O-CA 3.37Å; G267-S270 PolarHBondContact O-N 2.85Å; E268-S270 PolarHBondContact O-N 3.46Å; S270-N272 PolarHBondContact O-N 3.12Å
271	R	75.4	Confident	73.7	Confident	129 Å²	129	65.3 Å²	65.3	49%	0.487	36%	0.364	S	S	.	.			trans	-69.6	1.6	-174.6	-46.4	-155	156.1	139.3	0.9	116.7	G236 D237 G269	G236-R271 PolarHBondContact N-O 3.34Å; G236-R271 VanDerWaalsContact N-O 3.13Å; G236-R271 CarbonylContact O-C 3.54Å; G236-R271 WeakPolarHBondContact O-CA 3.38Å; D237-R271 HydrophobicContact CB-CB 4.49Å; D237-R271 VanDerWaalsContact OD2-CD 3.22Å; D237-R271 WeakPolarHBondContact OD2-CD 3.43Å; D237-R271 WeakPolarHBondContact OD2-CG 3.2Å; D237-R271 IonicContact OD2-NE 2.71Å; D237-R271 PolarHBondContact OD2-NE 2.86Å; D237-R271 VanDerWaalsContact OD2-NE 3.09Å; G269-R271 VanDerWaalsContact O-CG 3.22Å; G269-R271 WeakPolarHBondContact O-CG 3.38Å; G269-R271 PolarHBondContact O-N 3.25Å
272	N	83.4	Confident	75.1	Confident	31 Å²	31	65 Å²	65	17%	0.166	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.1	-171	-60.2	-94.8	0	0	0	110.4	K233 L234 G236 F266 G267 S270	K233-N272 WeakPolarHBondContact CE-OD1 3.38Å; K233-N272 PolarHBondContact NZ-OD1 2.98Å; L234-N272 CarbonylContact O-C 3.59Å; L234-N272 WeakPolarHBondContact O-CA 3.29Å; G236-N272 PolarHBondContact O-N 3.03Å; F266-N272 WeakPolarHBondContact CA-O 3.43Å; G267-N272 PolarHBondContact N-O 3.03Å; S270-N272 PolarHBondContact O-N 3.12Å
273	V	86.5	Confident	76.2	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.7	170.9	179	0	0	0	0	108	L234 I241 F266 I275	L234-V273 HydrophobicContact CB-CB 4.48Å; L234-V273 PolarHBondContact N-O 3.2Å; L234-V273 PolarHBondContact O-N 3.27Å; I241-V273 HydrophobicContact CD1-CG1 4.32Å; I241-V273 HydrophobicContact CD1-CG2 4.09Å; I241-V273 HydrophobicContact CG1-CG1 3.94Å; I241-V273 HydrophobicContact CG1-CG2 4.01Å; F266-V273 HydrophobicContact CD1-CG2 4.48Å; F266-V273 HydrophobicContact CE1-CG2 4.07Å; V273-I275 HydrophobicContact CG1-CD1 4.28Å; V273-I275 HydrophobicContact CG1-CG1 4.03Å
274	V	88.2	Confident	77.4	Confident	26 Å²	26	63.6 Å²	63.6	16%	0.158	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.3	175.7	179	0	0	0	0	109.1	F231 K233 T264 T265	F231-V274 HydrophobicContact CB-CG1 4.37Å; F231-V274 HydrophobicContact CD2-CG1 4.37Å; K233-V274 HydrophobicContact CB-CG2 4.39Å; K233-V274 HydrophobicContact CD-CG2 4.42Å; K233-V274 HydrophobicContact CG-CG2 4.07Å; T264-V274 CarbonylContact C-O 3.52Å; T264-V274 WeakPolarHBondContact CA-O 3.49Å; T265-V274 PolarHBondContact N-O 3.24Å; T265-V274 PolarHBondContact O-N 2.76Å; T265-V274 WeakPolarHBondContact OG1-CB 3.47Å
275	I	87.3	Confident	78.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	103.7	-171.4	-49.2	-179	0	0	0	107.9	F231 V232 L234 L262 T264 V273 L289 L291	F231-I275 CarbonylContact C-O 3.58Å; F231-I275 VanDerWaalsContact CA-O 3.25Å; F231-I275 WeakPolarHBondContact CA-O 3.31Å; V232-I275 HydrophobicContact CB-CB 4.34Å; V232-I275 PolarHBondContact N-O 3.03Å; V232-I275 PolarHBondContact O-N 3.45Å; L234-I275 HydrophobicContact CD1-CD1 4.5Å; L262-I275 HydrophobicContact CB-CG2 3.63Å; L262-I275 HydrophobicContact CD1-CG2 3.45Å; L262-I275 VanDerWaalsContact CD1-CG2 3.45Å; L262-I275 HydrophobicContact CD2-CG2 4.49Å; L262-I275 HydrophobicContact CG-CG2 4.03Å; T264-I275 HydrophobicContact CG2-CG1 4.33Å; V273-I275 HydrophobicContact CG1-CD1 4.28Å; V273-I275 HydrophobicContact CG1-CG1 4.03Å; I275-L289 HydrophobicContact CD1-CD1 3.9Å; I275-L289 HydrophobicContact CD1-CD2 3.62Å; I275-L289 HydrophobicContact CD1-CG 4.37Å; I275-L291 HydrophobicContact CD1-CD1 4.21Å; I275-L291 HydrophobicContact CD1-CD2 3.98Å
276	D	85.4	Confident	79.2	Confident	77 Å²	77	63 Å²	63	41%	0.412	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.5	-176.2	-66.8	-60.4	0	0	0	111.5	L262	L262-D276 WeakPolarHBondContact CD2-O 3.34Å
277	L	85.3	Confident	80.3	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.052	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140	178.2	-52.2	174.6	0	0	0	109.4	F225 K230 V232 I246 L262 E279 V281	F225-L277 HydrophobicContact CE1-CD1 4.17Å; F225-L277 HydrophobicContact CZ-CD1 3.82Å; K230-L277 WeakPolarHBondContact CE-O 3.29Å; K230-L277 WeakPolarHBondContact CG-O 3.48Å; K230-L277 WeakPolarHBondContact O-CB 3.33Å; K230-L277 PolarHBondContact O-N 3.27Å; V232-L277 HydrophobicContact CG2-CD1 4.16Å; V232-L277 HydrophobicContact CG2-CD2 4.38Å; I246-L277 HydrophobicContact CD1-CD2 4.11Å; I246-L277 HydrophobicContact CG2-CD2 4.31Å; L262-L277 HydrophobicContact CD2-CD2 4.26Å; L277-E279 PolarHBondContact O-N 2.91Å; L277-V281 HydrophobicContact CD1-CB 4.48Å; L277-V281 HydrophobicContact CD1-CG2 3.67Å
278	A	79.3	Confident	82	Confident	90 Å²	90	62.7 Å²	62.7	74%	0.744	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	-32	-179	0	0	0	0	0	112.8
279	E	81.1	Confident	84	Confident	117 Å²	117	53.7 Å²	53.7	55%	0.547	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.2	-174.3	-66.4	166	-124	0	0	109.7	K258 L277 V281	K258-E279 IonicContact NZ-OE1 2.7Å; K258-E279 PolarHBondContact NZ-OE1 3.46Å; L277-E279 PolarHBondContact O-N 2.91Å; E279-V281 PolarHBondContact O-N 3.49Å
280	N	84.9	Confident	85.8	Confident	86 Å²	86	51.9 Å²	51.9	46%	0.46	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	107.6	178.8	-171.3	25.6	0	0	0	110.4	A229 K230 Q282	A229-N280 VanDerWaalsContact CA-OD1 3.3Å; A229-N280 WeakPolarHBondContact CA-OD1 3.25Å; A229-N280 PolarHBondContact N-OD1 3.47Å; A229-N280 PolarHBondContact O-OD1 2.78Å; K230-N280 PolarHBondContact N-OD1 3.44Å; N280-Q282 PolarHBondContact O-NE2 2.8Å; N280-Q282 VanDerWaalsContact O-NE2 3.13Å
281	V	85.8	Confident	87.4	Confident	11 Å²	11	48.8 Å²	48.8	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.3	-176.2	-177.7	0	0	0	0	110.1	F225 A228 A229 L248 L277 E279 T285	F225-V281 HydrophobicContact CB-CG1 4.48Å; F225-V281 HydrophobicContact CD1-CB 4.17Å; F225-V281 HydrophobicContact CD1-CG1 4.14Å; F225-V281 HydrophobicContact CD2-CB 4.36Å; F225-V281 HydrophobicContact CD2-CG1 3.56Å; F225-V281 HydrophobicContact CE1-CB 3.99Å; F225-V281 HydrophobicContact CE1-CG1 4.24Å; F225-V281 HydrophobicContact CE2-CB 4.19Å; F225-V281 HydrophobicContact CE2-CG1 3.68Å; F225-V281 HydrophobicContact CG-CB 4.35Å; F225-V281 HydrophobicContact CG-CG1 3.81Å; F225-V281 HydrophobicContact CZ-CB 4Å; F225-V281 HydrophobicContact CZ-CG1 4.02Å; F225-V281 HydrophobicContact CZ-CG2 4.23Å; A228-V281 CarbonylContact C-O 3.51Å; A228-V281 WeakPolarHBondContact CA-O 3.38Å; A228-V281 WeakPolarHBondContact CB-O 3.43Å; A229-V281 PolarHBondContact N-O 3.06Å; A229-V281 PolarHBondContact O-N 2.71Å; L248-V281 HydrophobicContact CD1-CG1 4.47Å; L248-V281 HydrophobicContact CD1-CG2 3.66Å; L248-V281 HydrophobicContact CD2-CG1 4.47Å; L248-V281 HydrophobicContact CD2-CG2 4.38Å; L277-V281 HydrophobicContact CD1-CB 4.48Å; L277-V281 HydrophobicContact CD1-CG2 3.67Å; E279-V281 PolarHBondContact O-N 3.49Å; V281-T285 HydrophobicContact CG1-CG2 3.66Å
282	Q	87.2	Confident	88.4	Confident	113 Å²	113	46.6 Å²	46.6	53%	0.528	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-86	159.2	-172.1	-63.2	-57.8	-54	0	0	112.9	N280 G284 T285	N280-Q282 PolarHBondContact O-NE2 2.8Å; N280-Q282 VanDerWaalsContact O-NE2 3.13Å; Q282-G284 PolarHBondContact O-N 3.37Å; Q282-T285 PolarHBondContact O-N 2.84Å; Q282-T285 PolarHBondContact O-OG1 2.9Å
283	V	88.5	Confident	88.9	Confident	95 Å²	95	45.3 Å²	45.3	58%	0.576	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	133.2	170.8	179.9	0	0	0	0	109.9	A228	A228-V283 HydrophobicContact CB-CG2 4.34Å
284	G	86.6	Confident	89.3	Confident	36 Å²	36	46.7 Å²	46.7	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-16	176.3	0	0	0	0	0	115.2	F225 Q282 S286	F225-G284 PolarHBondContact O-N 2.97Å; Q282-G284 PolarHBondContact O-N 3.37Å; G284-S286 PolarHBondContact O-N 3.3Å
285	T	89.3	Confident	89.6	Confident	26 Å²	26	45.8 Å²	45.8	16%	0.16	26%	0.261	C	S	.	.			trans	-62.5	130.4	176.3	-62.2	0	0	0	0	111.1	K224 F225 L248 V281 Q282	K224-T285 WeakPolarHBondContact CA-O 3.4Å; F225-T285 PolarHBondContact N-O 3.07Å; L248-T285 HydrophobicContact CB-CG2 4.17Å; L248-T285 HydrophobicContact CD2-CG2 4.34Å; V281-T285 HydrophobicContact CG1-CG2 3.66Å; Q282-T285 PolarHBondContact O-N 2.84Å; Q282-T285 PolarHBondContact O-OG1 2.9Å
286	S	91.8	Very high	89.8	Confident	48 Å²	48	52.7 Å²	52.7	34%	0.336	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	150.7	168.8	-68.2	0	0	0	0	110.2	F223 E249 G284	F223-S286 CarbonylContact O-C 3.58Å; F223-S286 WeakPolarHBondContact O-CA 3.47Å; E249-S286 PolarHBondContact N-O 3.4Å; E249-S286 PolarHBondContact O-N 3.48Å; G284-S286 PolarHBondContact O-N 3.3Å
287	A	91.8	Very high	90.2	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.1	-177.6	0	0	0	0	0	112.4	S222 F223 F225 I246 T247 L248	S222-A287 WeakPolarHBondContact CA-O 3.27Å; F223-A287 HydrophobicContact CD1-CB 4.12Å; F223-A287 HydrophobicContact CD2-CB 4.35Å; F223-A287 HydrophobicContact CE1-CB 3.62Å; F223-A287 HydrophobicContact CE2-CB 3.87Å; F223-A287 HydrophobicContact CG-CB 4.47Å; F223-A287 HydrophobicContact CZ-CB 3.49Å; F223-A287 VanDerWaalsContact CZ-CB 3.49Å; F223-A287 PolarHBondContact N-O 2.75Å; F223-A287 PolarHBondContact O-N 2.94Å; F225-A287 HydrophobicContact CD2-CB 4.33Å; F225-A287 HydrophobicContact CE2-CB 3.79Å; I246-A287 HydrophobicContact CD1-CB 4.2Å; I246-A287 HydrophobicContact CG1-CB 4.4Å; T247-A287 CarbonylContact O-C 3.45Å; T247-A287 VanDerWaalsContact O-CA 3.3Å; T247-A287 WeakPolarHBondContact O-CA 3.48Å; L248-A287 HydrophobicContact CD2-CB 3.65Å
288	K	93.7	Very high	90.4	Very high	100 Å²	100	49.9 Å²	49.9	44%	0.435	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	101.2	176.5	-166.1	163.9	-171.4	164	0	109.4	V220 I221 I246 T247	V220-K288 HydrophobicContact CG1-CD 4.26Å; V220-K288 VanDerWaalsContact CG1-CE 3.48Å; V220-K288 HydrophobicContact CG1-CG 3.81Å; I221-K288 CarbonylContact O-C 3.53Å; I221-K288 WeakPolarHBondContact O-CA 3.38Å; I246-K288 WeakPolarHBondContact CA-O 3.41Å; T247-K288 PolarHBondContact N-O 3.2Å; T247-K288 PolarHBondContact O-N 2.95Å
289	L	93.9	Very high	90.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.3	-179.7	169.9	62.7	0	0	0	109.7	V220 I221 F223 V232 L234 I246 L262 I275 L291	V220-L289 CarbonylContact C-O 3.57Å; V220-L289 WeakPolarHBondContact CA-O 3.17Å; I221-L289 PolarHBondContact N-O 3.02Å; I221-L289 PolarHBondContact O-N 3.21Å; F223-L289 HydrophobicContact CE1-CB 3.82Å; V232-L289 HydrophobicContact CG1-CD2 4.35Å; L234-L289 HydrophobicContact CD1-CD2 3.86Å; I246-L289 HydrophobicContact CB-CD1 4.43Å; I246-L289 HydrophobicContact CG1-CB 4.34Å; L262-L289 HydrophobicContact CD1-CD1 4.44Å; I275-L289 HydrophobicContact CD1-CD1 3.9Å; I275-L289 HydrophobicContact CD1-CD2 3.62Å; I275-L289 HydrophobicContact CD1-CG 4.37Å; L289-L291 HydrophobicContact CD1-CD2 4.42Å; L289-L291 HydrophobicContact CD1-CG 4.16Å; L289-L291 HydrophobicContact CD2-CD1 4.06Å; L289-L291 HydrophobicContact CD2-CG 4.44Å; L289-L291 HydrophobicContact CG-CD1 4.25Å; L289-L291 HydrophobicContact CG-CG 4.13Å
290	S	95.4	Very high	90.4	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.4	173	-57.6	0	0	0	0	110.2	V219 S245	V219-S290 WeakPolarHBondContact O-CA 3.43Å; S245-S290 PolarHBondContact N-O 2.73Å; S245-S290 PolarHBondContact O-N 2.67Å
291	L	94.4	Very high	90.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134.2	177.7	-71.5	165.1	0	0	0	109.9	K218 V219 L234 I241 R243 A244 I275 L289 P333	K218-L291 CarbonylContact C-O 3.55Å; K218-L291 VanDerWaalsContact CA-O 3.26Å; K218-L291 WeakPolarHBondContact CA-O 3.4Å; V219-L291 HydrophobicContact CG1-CB 3.87Å; V219-L291 HydrophobicContact CG1-CD1 4.28Å; V219-L291 PolarHBondContact N-O 2.88Å; V219-L291 PolarHBondContact O-N 2.96Å; L234-L291 HydrophobicContact CD1-CD1 3.57Å; I241-L291 HydrophobicContact CD1-CD2 4.47Å; I241-L291 HydrophobicContact CG2-CD2 4Å; R243-L291 WeakPolarHBondContact O-CA 3.43Å; A244-L291 HydrophobicContact CB-CD2 3.51Å; I275-L291 HydrophobicContact CD1-CD1 4.21Å; I275-L291 HydrophobicContact CD1-CD2 3.98Å; L289-L291 HydrophobicContact CD1-CD2 4.42Å; L289-L291 HydrophobicContact CD1-CG 4.16Å; L289-L291 HydrophobicContact CD2-CD1 4.06Å; L289-L291 HydrophobicContact CD2-CG 4.44Å; L289-L291 HydrophobicContact CG-CD1 4.25Å; L289-L291 HydrophobicContact CG-CG 4.13Å; L291-P333 HydrophobicContact CB-CG 4.49Å; L291-P333 HydrophobicContact CD1-CB 3.68Å; L291-P333 HydrophobicContact CD1-CG 3.94Å
292	W	95.8	Very high	90.2	Very high	84 Å²	84	46.2 Å²	46.2	32%	0.318	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.7	169.1	-64.9	-107.1	0	0	0	108.3	G217 K218 R242 R243	G217-W292 CarbonylContact O-C 3.57Å; G217-W292 WeakPolarHBondContact O-CA 3.31Å; K218-W292 HydrophobicContact CG-CD2 4.35Å; K218-W292 HydrophobicContact CG-CG 4.31Å; R242-W292 PolarHBondContact N-O 2.8Å; R243-W292 HydrophobicContact CB-CB 4.2Å; R243-W292 HydrophobicContact CB-CD2 4.3Å; R243-W292 HydrophobicContact CB-CE3 3.81Å; R243-W292 HydrophobicContact CG-CE3 3.89Å; R243-W292 HydrophobicContact CG-CZ3 4.15Å; R243-W292 PolarHBondContact N-O 2.93Å; R243-W292 PolarHBondContact O-N 3.32Å
293	F	94.8	Very high	90.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166.5	-170.7	56.6	-87.3	0	0	0	111.9	L206 F215 G217 V219 R240 I241 A331 F332 P333	L206-F293 HydrophobicContact CD2-CE2 4.49Å; F215-F293 HydrophobicContact CE2-CD2 4.4Å; F215-F293 HydrophobicContact CE2-CE2 4.04Å; G217-F293 PolarHBondContact N-O 3.04Å; G217-F293 PolarHBondContact O-N 3.22Å; V219-F293 HydrophobicContact CB-CE1 4.05Å; V219-F293 HydrophobicContact CG1-CE1 3.91Å; R240-F293 CarbonylContact O-C 3.4Å; R240-F293 VanDerWaalsContact O-CA 3.26Å; R240-F293 WeakPolarHBondContact O-CA 3.39Å; I241-F293 HydrophobicContact CD1-CB 3.91Å; F293-A331 VanDerWaalsContact CE2-O 3.24Å; F293-A331 WeakPolarHBondContact CE2-O 3.44Å; F293-F332 HydrophobicContact CE1-CB 4.37Å; F293-F332 HydrophobicContact CE2-CB 4.14Å; F293-F332 HydrophobicContact CZ-CB 3.59Å; F293-P333 HydrophobicContact CD1-CG 3.93Å; F293-P333 HydrophobicContact CE1-CG 4.19Å; F293-P333 HydrophobicContact CG-CG 4.34Å
294	T	94.9	Very high	90.8	Very high	29 Å²	29	36.4 Å²	36.4	18%	0.178	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.7	174.8	60.4	0	0	0	0	109.1	F215 L216 R240 R242	F215-T294 WeakPolarHBondContact O-CA 3.43Å; L216-T294 HydrophobicContact CD2-CG2 3.53Å; R240-T294 PolarHBondContact N-O 2.98Å; R240-T294 PolarHBondContact O-N 3.36Å; R242-T294 HydrophobicContact CG-CG2 3.92Å; R242-T294 PolarHBondContact NE-OG1 3.38Å; R242-T294 PolarHBondContact NH2-OG1 3.45Å
295	G	93.6	Very high	91.1	Very high	8 Å²	8	34.8 Å²	34.8	8%	0.082	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	168.1	177.5	0	0	0	0	0	112.4	F215	F215-G295 PolarHBondContact N-O 3.05Å; F215-G295 PolarHBondContact O-N 3.28Å
296	K	92.6	Very high	91.3	Very high	144 Å²	144	35.8 Å²	35.8	63%	0.626	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.9	174.5	-67.2	-179.6	-179.9	176.7	0	110	F215	F215-K296 VanDerWaalsContact CE1-O 3.31Å; F215-K296 WeakPolarHBondContact CE1-O 3.2Å
297	I	93.9	Very high	91.1	Very high	7 Å²	7	34 Å²	34	4%	0.036	16%	0.158	C	C	.	.			trans	-82.5	118.4	162.6	-53.9	173.2	0	0	0	105.8	I208 Y213 F215 L304 H305 R306 I319	I208-I297 HydrophobicContact CG2-CD1 3.89Å; Y213-I297 PolarHBondContact O-N 2.87Å; F215-I297 HydrophobicContact CD1-CG1 3.89Å; I297-L304 WeakPolarHBondContact CA-O 3.23Å; I297-H305 VanDerWaalsContact CG2-C 3.45Å; I297-R306 HydrophobicContact CG2-CB 3.76Å; I297-R306 HydrophobicContact CG2-CG 4.28Å; I297-I319 HydrophobicContact CD1-CD1 3.94Å; I297-I319 HydrophobicContact CD1-CG2 4.45Å; I297-I319 HydrophobicContact CG2-CD1 4.13Å
298	N	89	Confident	90.9	Very high	21 Å²	21	36.1 Å²	36.1	11%	0.112	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-102.2	174.6	-174.9	67.5	79.2	0	0	0	112.8	R300 G301 E302 L304 H305 R306	N298-R300 PolarHBondContact OD1-N 2.84Å; N298-G301 PolarHBondContact OD1-N 3.03Å; N298-E302 PolarHBondContact ND2-O 3.37Å; N298-E302 PolarHBondContact OD1-N 3.02Å; N298-L304 PolarHBondContact N-O 2.92Å; N298-L304 PolarHBondContact ND2-O 3.39Å; N298-H305 CarbonylContact O-C 3.52Å; N298-H305 WeakPolarHBondContact O-CA 3.47Å; N298-H305 WeakPolarHBondContact O-CB 3.31Å; N298-R306 PolarHBondContact O-N 2.9Å
299	D	82.6	Confident	90.5	Very high	88 Å²	88	31.7 Å²	31.7	47%	0.471	15%	0.15	S	C	.	.	S	Bend	trans	-108.6	9.2	179.2	-61.6	0.2	0	0	0	111.9	R306	D299-R306 VanDerWaalsContact OD1-CG 3.27Å; D299-R306 WeakPolarHBondContact OD1-CG 3.36Å; D299-R306 IonicContact OD1-CZ 2.73Å; D299-R306 IonicContact OD1-NE 3.57Å; D299-R306 PolarHBondContact OD1-NE 3Å; D299-R306 IonicContact OD1-NH2 3.04Å; D299-R306 PolarHBondContact OD1-NH2 2.67Å; D299-R306 IonicContact OD2-CZ 2.62Å; D299-R306 IonicContact OD2-NE 3.7Å; D299-R306 IonicContact OD2-NH2 3.71Å; D299-R306 PolarHBondContact OD2-NH2 3.16Å
300	R	78.3	Confident	89.8	Confident	118 Å²	118	35.1 Å²	35.1	45%	0.445	17%	0.174	S	C	.	.	S	Bend	trans	-96.2	-4.2	-172.7	-56.9	-167.3	-54.3	-123.2	-2.6	114.1	E238 N298 E302	E238-R300 IonicContact OE1-CZ 3.63Å; E238-R300 IonicContact OE1-NH1 3.6Å; E238-R300 PolarHBondContact OE1-NH1 2.75Å; E238-R300 IonicContact OE1-NH2 3.33Å; E238-R300 PolarHBondContact OE1-NH2 3.36Å; N298-R300 PolarHBondContact OD1-N 2.84Å; R300-E302 HydrophobicContact CB-CG 4.19Å; R300-E302 IonicContact CZ-OE2 3.48Å; R300-E302 IonicContact NE-OE2 2.72Å; R300-E302 PolarHBondContact NE-OE2 2.92Å; R300-E302 IonicContact NH2-OE2 3.39Å; R300-E302 PolarHBondContact NH2-OE2 3.38Å
301	G	81.8	Confident	89	Confident	6 Å²	6	34.1 Å²	34.1	6%	0.062	17%	0.167	C	C	.	.	S	Bend	trans	82.7	16.3	-178.3	0	0	0	0	0	114.9	N298 N322	N298-G301 PolarHBondContact OD1-N 3.03Å; G301-N322 WeakPolarHBondContact O-CB 3.45Å; G301-N322 PolarHBondContact O-ND2 3.44Å; G301-N322 VanDerWaalsContact O-ND2 3.08Å
302	E	85.4	Confident	88.2	Confident	16 Å²	16	41.8 Å²	41.8	8%	0.075	20%	0.203	C	C	.	.	S	Bend	trans	-111.6	141.7	-172.7	-55.9	171.7	137.4	0	0	111.4	N298 R300 L304 Y327	N298-E302 PolarHBondContact ND2-O 3.37Å; N298-E302 PolarHBondContact OD1-N 3.02Å; R300-E302 HydrophobicContact CB-CG 4.19Å; R300-E302 IonicContact CZ-OE2 3.48Å; R300-E302 IonicContact NE-OE2 2.72Å; R300-E302 PolarHBondContact NE-OE2 2.92Å; R300-E302 IonicContact NH2-OE2 3.39Å; R300-E302 PolarHBondContact NH2-OE2 3.38Å; E302-L304 CarbonylContact O-C 3.56Å; E302-L304 PolarHBondContact O-N 3.05Å; E302-L304 VanDerWaalsContact O-N 3.13Å; E302-Y327 HydrophobicContact CB-CD1 3.96Å; E302-Y327 HydrophobicContact CB-CE1 4.25Å; E302-Y327 HydrophobicContact CB-CG 4.28Å; E302-Y327 HydrophobicContact CG-CD1 3.91Å; E302-Y327 HydrophobicContact CG-CE1 3.67Å; E302-Y327 HydrophobicContact CG-CG 4.48Å
303	G	92.3	Very high	87.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.9	-117.6	173.3	0	0	0	0	0	111.8	S321 N322 Y327	G303-S321 CarbonylContact O-C 3.59Å; G303-S321 VanDerWaalsContact O-CA 3.25Å; G303-S321 WeakPolarHBondContact O-CA 3.33Å; G303-N322 WeakPolarHBondContact CA-O 3.25Å; G303-N322 PolarHBondContact N-O 3.27Å; G303-N322 PolarHBondContact O-N 3.29Å; G303-Y327 WeakPolarHBondContact CA-O 3.29Å
304	L	95.1	Very high	86.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.8	164.2	-68.2	172.6	0	0	0	108.9	L206 F215 I297 N298 E302 F323 A331	L206-L304 HydrophobicContact CD1-CD1 4.06Å; L206-L304 HydrophobicContact CD2-CD1 4.38Å; F215-L304 HydrophobicContact CD1-CB 4.35Å; F215-L304 HydrophobicContact CD1-CD1 3.83Å; F215-L304 HydrophobicContact CD2-CD1 4.41Å; F215-L304 HydrophobicContact CE1-CB 3.94Å; F215-L304 HydrophobicContact CE1-CD1 3.82Å; F215-L304 HydrophobicContact CE1-CG 4.42Å; F215-L304 HydrophobicContact CE2-CD1 4.41Å; F215-L304 HydrophobicContact CG-CD1 4.13Å; F215-L304 HydrophobicContact CZ-CD1 4.12Å; I297-L304 WeakPolarHBondContact CA-O 3.23Å; N298-L304 PolarHBondContact N-O 2.92Å; N298-L304 PolarHBondContact ND2-O 3.39Å; E302-L304 CarbonylContact O-C 3.56Å; E302-L304 PolarHBondContact O-N 3.05Å; E302-L304 VanDerWaalsContact O-N 3.13Å; L304-F323 HydrophobicContact CD2-CE1 4.48Å; L304-F323 HydrophobicContact CD2-CZ 4.27Å; L304-A331 HydrophobicContact CD1-CB 4.28Å; L304-A331 HydrophobicContact CG-CB 3.87Å
305	H	92.9	Very high	86.3	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	163.2	176.2	64.3	-84.8	0	0	0	110.8	I297 N298 V320	I297-H305 VanDerWaalsContact CG2-C 3.45Å; N298-H305 CarbonylContact O-C 3.52Å; N298-H305 WeakPolarHBondContact O-CA 3.47Å; N298-H305 WeakPolarHBondContact O-CB 3.31Å; H305-V320 PolarHBondContact N-O 3.41Å; H305-V320 PolarHBondContact ND1-O 2.87Å; H305-V320 VanDerWaalsContact ND1-O 3.12Å; H305-V320 PolarHBondContact O-N 3.01Å
306	R	92.6	Very high	86.1	Confident	48 Å²	48	53.3 Å²	53.3	18%	0.181	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	152.7	170.6	62.5	170.7	-176.5	138.2	12	110.7	Y213 I297 N298 D299 I317 A318 I319	Y213-R306 VanDerWaalsContact CZ-NH1 3.3Å; Y213-R306 PolarHBondContact OH-NH1 3.36Å; I297-R306 HydrophobicContact CG2-CB 3.76Å; I297-R306 HydrophobicContact CG2-CG 4.28Å; N298-R306 PolarHBondContact O-N 2.9Å; D299-R306 VanDerWaalsContact OD1-CG 3.27Å; D299-R306 WeakPolarHBondContact OD1-CG 3.36Å; D299-R306 IonicContact OD1-CZ 2.73Å; D299-R306 IonicContact OD1-NE 3.57Å; D299-R306 PolarHBondContact OD1-NE 3Å; D299-R306 IonicContact OD1-NH2 3.04Å; D299-R306 PolarHBondContact OD1-NH2 2.67Å; D299-R306 IonicContact OD2-CZ 2.62Å; D299-R306 IonicContact OD2-NE 3.7Å; D299-R306 IonicContact OD2-NH2 3.71Å; D299-R306 PolarHBondContact OD2-NH2 3.16Å; R306-I317 HydrophobicContact CB-CG2 3.86Å; R306-A318 CarbonylContact C-O 3.4Å; R306-A318 VanDerWaalsContact CA-O 3.31Å; R306-A318 WeakPolarHBondContact CA-O 3.26Å; R306-I319 HydrophobicContact CB-CD1 4.1Å
307	I	89.2	Confident	86.1	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.5	162.9	-52.4	176.3	0	0	0	107.1	I317 A318 V320 V461 P462 D463 F464	I307-I317 CarbonylContact O-C 3.55Å; I307-I317 WeakPolarHBondContact O-CA 3.3Å; I307-A318 PolarHBondContact N-O 3.01Å; I307-A318 PolarHBondContact O-N 2.84Å; I307-V320 HydrophobicContact CD1-CG2 3.92Å; I307-V320 HydrophobicContact CG1-CG2 4.22Å; I307-V461 HydrophobicContact CD1-CG1 3.77Å; I307-P462 WeakPolarHBondContact CG2-O 3.31Å; I307-D463 HydrophobicContact CG2-CB 3.81Å; I307-F464 HydrophobicContact CD1-CD2 3.83Å
308	V	86.9	Confident	86.1	Confident	49 Å²	49	47.3 Å²	47.3	30%	0.297	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.4	179.4	179.7	0	0	0	0	107.3	E315 K316	V308-E315 HydrophobicContact CG1-CG 3.32Å; V308-E315 WeakPolarHBondContact CG1-OE1 3.13Å; V308-K316 WeakPolarHBondContact CA-O 3.43Å
309	Y	84.5	Confident	86.5	Confident	7 Å²	7	46.4 Å²	46.4	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	147.6	-173.5	70.1	-83.7	0	0	0	112.1	C311 K316 A318 M402 E403 M422 P462	Y309-C311 HydrophobicContact CD2-CB 4.24Å; Y309-C311 HydrophobicContact CE2-CB 3.96Å; Y309-K316 HydrophobicContact CD1-CB 4.3Å; Y309-K316 WeakPolarHBondContact CD1-O 3.2Å; Y309-K316 HydrophobicContact CD2-CB 4.46Å; Y309-K316 HydrophobicContact CE1-CB 3.86Å; Y309-K316 HydrophobicContact CE2-CB 4.06Å; Y309-K316 PolarHBondContact N-O 3.11Å; Y309-K316 PolarHBondContact O-N 3.18Å; Y309-A318 HydrophobicContact CD1-CB 4.23Å; Y309-A318 HydrophobicContact CE1-CB 3.9Å; Y309-M402 HydrophobicContact CE1-CE 4.5Å; Y309-M402 HydrophobicContact CE2-CE 4.45Å; Y309-E403 PolarHBondContact OH-N 3.05Å; Y309-E403 PolarHBondContact OH-O 3.2Å; Y309-M422 HydrophobicContact CD2-CG 4.37Å; Y309-M422 HydrophobicContact CD2-SD 3.56Å; Y309-M422 VanDerWaalsContact CD2-SD 3.56Å; Y309-M422 HydrophobicContact CE2-CG 3.98Å; Y309-M422 HydrophobicContact CE2-SD 3.69Å; Y309-P462 HydrophobicContact CD2-CB 4.47Å; Y309-P462 HydrophobicContact CD2-CG 3.96Å; Y309-P462 HydrophobicContact CG-CB 4.2Å; Y309-P462 HydrophobicContact CG-CG 4.06Å
310	S	78.8	Confident	87.1	Confident	71 Å²	71	42.2 Å²	42.2	50%	0.497	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.1	173.9	-175.7	0	0	0	0	110.8
311	C	79	Confident	87.9	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	112.6	172.3	173.9	0	0	0	0	109.4	Y309 G313 Q314 K316 M422	Y309-C311 HydrophobicContact CD2-CB 4.24Å; Y309-C311 HydrophobicContact CE2-CB 3.96Å; C311-G313 VanDerWaalsContact C-N 3.27Å; C311-G313 PolarHBondContact O-N 2.91Å; C311-Q314 PolarHBondContact N-O 3.39Å; C311-Q314 PolarHBondContact O-N 3.05Å; C311-K316 HydrophobicContact CB-CD 3.98Å; C311-K316 HydrophobicContact CB-CG 4.45Å; C311-M422 HydrophobicContact CB-SD 4.38Å
312	Q	77.6	Confident	88.3	Confident	160 Å²	160	36.7 Å²	36.7	75%	0.748	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	37.8	-176.7	-57.9	177	-43	0	0	112.9	Q314	Q312-Q314 VanDerWaalsContact C-N 3.25Å; Q312-Q314 PolarHBondContact O-N 3.29Å
313	G	76.3	Confident	88.7	Confident	72 Å²	72	35.9 Å²	35.9	74%	0.742	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	6.6	-178.8	0	0	0	0	0	114.9	C311	C311-G313 VanDerWaalsContact C-N 3.27Å; C311-G313 PolarHBondContact O-N 2.91Å
314	Q	83.5	Confident	88.2	Confident	120 Å²	120	36.6 Å²	36.6	56%	0.561	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108	131.6	173.5	-64.7	-176.5	-16.5	0	0	110.5	C311 Q312 K316	C311-Q314 PolarHBondContact N-O 3.39Å; C311-Q314 PolarHBondContact O-N 3.05Å; Q312-Q314 VanDerWaalsContact C-N 3.25Å; Q312-Q314 PolarHBondContact O-N 3.29Å; Q314-K316 PolarHBondContact O-N 3.42Å
315	E	86.2	Confident	87.5	Confident	143 Å²	143	36.9 Å²	36.9	67%	0.668	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.8	168.6	-170.6	-176.8	118.6	0	0	110	V308	V308-E315 HydrophobicContact CG1-CG 3.32Å; V308-E315 WeakPolarHBondContact CG1-OE1 3.13Å
316	K	89.7	Confident	87.1	Confident	33 Å²	33	36.8 Å²	36.8	14%	0.143	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	162.4	177.2	-62.7	-166.2	-178.2	-175.8	0	110.3	V308 Y309 C311 Q314 E403	V308-K316 WeakPolarHBondContact CA-O 3.43Å; Y309-K316 HydrophobicContact CD1-CB 4.3Å; Y309-K316 WeakPolarHBondContact CD1-O 3.2Å; Y309-K316 HydrophobicContact CD2-CB 4.46Å; Y309-K316 HydrophobicContact CE1-CB 3.86Å; Y309-K316 HydrophobicContact CE2-CB 4.06Å; Y309-K316 PolarHBondContact N-O 3.11Å; Y309-K316 PolarHBondContact O-N 3.18Å; C311-K316 HydrophobicContact CB-CD 3.98Å; C311-K316 HydrophobicContact CB-CG 4.45Å; Q314-K316 PolarHBondContact O-N 3.42Å; K316-E403 IonicContact NZ-OE1 2.7Å; K316-E403 IonicContact NZ-OE2 2.71Å; K316-E403 PolarHBondContact NZ-OE2 3.06Å
317	I	92.4	Very high	86.9	Confident	23 Å²	23	34.7 Å²	34.7	12%	0.118	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.9	-174.9	-52.2	-172.6	0	0	0	109.2	Y213 R306 I307 I319 Y354	Y213-I317 HydrophobicContact CE1-CD1 3.91Å; R306-I317 HydrophobicContact CB-CG2 3.86Å; I307-I317 CarbonylContact O-C 3.55Å; I307-I317 WeakPolarHBondContact O-CA 3.3Å; I317-I319 HydrophobicContact CG2-CD1 3.8Å; I317-Y354 VanDerWaalsContact O-CE1 3.25Å; I317-Y354 WeakPolarHBondContact O-CE1 3.22Å; I317-Y354 PolarHBondContact O-OH 3.45Å
318	A	94.4	Very high	87.2	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.4	165.3	0	0	0	0	0	108.8	R306 I307 Y309 V320 M402	R306-A318 CarbonylContact C-O 3.4Å; R306-A318 VanDerWaalsContact CA-O 3.31Å; R306-A318 WeakPolarHBondContact CA-O 3.26Å; I307-A318 PolarHBondContact N-O 3.01Å; I307-A318 PolarHBondContact O-N 2.84Å; Y309-A318 HydrophobicContact CD1-CB 4.23Å; Y309-A318 HydrophobicContact CE1-CB 3.9Å; A318-V320 HydrophobicContact CB-CG2 4.13Å; A318-M402 HydrophobicContact CB-CB 3.78Å
319	I	96.4	Very high	87.4	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.3	170.9	-51.3	-53.5	0	0	0	107.8	I208 P210 I297 R306 I317 I400 A401	I208-I319 HydrophobicContact CD1-CG2 4.49Å; I208-I319 HydrophobicContact CG2-CB 4.49Å; I208-I319 HydrophobicContact CG2-CG1 4.06Å; I208-I319 HydrophobicContact CG2-CG2 4.08Å; P210-I319 HydrophobicContact CB-CD1 4.13Å; P210-I319 HydrophobicContact CB-CG1 4.36Å; P210-I319 HydrophobicContact CG-CD1 4.38Å; P210-I319 HydrophobicContact CG-CG1 4.08Å; I297-I319 HydrophobicContact CD1-CD1 3.94Å; I297-I319 HydrophobicContact CD1-CG2 4.45Å; I297-I319 HydrophobicContact CG2-CD1 4.13Å; R306-I319 HydrophobicContact CB-CD1 4.1Å; I317-I319 HydrophobicContact CG2-CD1 3.8Å; I319-I400 CarbonylContact O-C 3.59Å; I319-I400 WeakPolarHBondContact O-CA 3.32Å; I319-A401 PolarHBondContact N-O 3.46Å; I319-A401 PolarHBondContact O-N 2.98Å
320	V	95.6	Very high	87.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.5	-167.2	-170.4	0	0	0	0	110.3	H305 I307 A318 I400 V461 F464 L476	H305-V320 PolarHBondContact N-O 3.41Å; H305-V320 PolarHBondContact ND1-O 2.87Å; H305-V320 VanDerWaalsContact ND1-O 3.12Å; H305-V320 PolarHBondContact O-N 3.01Å; I307-V320 HydrophobicContact CD1-CG2 3.92Å; I307-V320 HydrophobicContact CG1-CG2 4.22Å; A318-V320 HydrophobicContact CB-CG2 4.13Å; V320-I400 HydrophobicContact CG1-CD1 4.31Å; V320-I400 HydrophobicContact CG2-CD1 3.87Å; V320-I400 HydrophobicContact CG2-CG1 4.12Å; V320-V461 HydrophobicContact CG2-CG1 4.34Å; V320-F464 HydrophobicContact CG1-CE2 3.92Å; V320-L476 HydrophobicContact CG1-CD1 3.55Å
321	S	95.1	Very high	88.6	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.1	168.5	66.1	0	0	0	0	111.4	G303 F323 G398 L399	G303-S321 CarbonylContact O-C 3.59Å; G303-S321 VanDerWaalsContact O-CA 3.25Å; G303-S321 WeakPolarHBondContact O-CA 3.33Å; S321-F323 VanDerWaalsContact CB-CZ 3.46Å; S321-G398 WeakPolarHBondContact OG-CA 3.21Å; S321-L399 VanDerWaalsContact CB-O 3.24Å; S321-L399 WeakPolarHBondContact CB-O 3.43Å; S321-L399 PolarHBondContact N-O 2.75Å; S321-L399 PolarHBondContact OG-N 3.23Å; S321-L399 PolarHBondContact OG-O 2.93Å
322	N	91.5	Very high	89.4	Confident	7 Å²	7	29.9 Å²	29.9	4%	0.037	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.1	150.3	-166.2	-8.3	0	0	0	108.3	G301 G303 N324 Y327 E466	G301-N322 WeakPolarHBondContact O-CB 3.45Å; G301-N322 PolarHBondContact O-ND2 3.44Å; G301-N322 VanDerWaalsContact O-ND2 3.08Å; G303-N322 WeakPolarHBondContact CA-O 3.25Å; G303-N322 PolarHBondContact N-O 3.27Å; G303-N322 PolarHBondContact O-N 3.29Å; N322-N324 WeakPolarHBondContact OD1-CB 3.38Å; N322-N324 PolarHBondContact OD1-N 3.04Å; N322-Y327 WeakPolarHBondContact O-CB 3.25Å; N322-E466 PolarHBondContact ND2-OE1 2.86Å
323	F	92.2	Very high	90.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.			trans	-108.7	1	176.1	-58.9	-23.5	0	0	0	112.1	L304 S321 A328 A331 F332 F346 C395 L397	L304-F323 HydrophobicContact CD2-CE1 4.48Å; L304-F323 HydrophobicContact CD2-CZ 4.27Å; S321-F323 VanDerWaalsContact CB-CZ 3.46Å; F323-A328 HydrophobicContact CB-CB 3.99Å; F323-A328 HydrophobicContact CD1-CB 4.13Å; F323-A328 HydrophobicContact CG-CB 4.05Å; F323-A331 HydrophobicContact CD1-CB 4.31Å; F323-A331 HydrophobicContact CE1-CB 3.39Å; F323-A331 HydrophobicContact CZ-CB 3.92Å; F323-F332 HydrophobicContact CE1-CE1 4.49Å; F323-F332 HydrophobicContact CE2-CE1 4.09Å; F323-F332 HydrophobicContact CZ-CE1 4.07Å; F323-F346 HydrophobicContact CE2-CZ 4.05Å; F323-C395 VanDerWaalsContact O-CA 3.31Å; F323-C395 WeakPolarHBondContact O-CA 3.49Å; F323-L397 HydrophobicContact CD2-CB 3.83Å; F323-L397 VanDerWaalsContact CD2-O 3.29Å; F323-L397 WeakPolarHBondContact CD2-O 3.21Å; F323-L397 HydrophobicContact CE2-CB 4.41Å
324	N	81.9	Confident	91.1	Very high	15 Å²	15	19 Å²	19	8%	0.08	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-59.2	163.2	168.7	-71.8	-31	0	0	0	110.5	N322 G326 Y327 C395	N322-N324 WeakPolarHBondContact OD1-CB 3.38Å; N322-N324 PolarHBondContact OD1-N 3.04Å; N324-G326 PolarHBondContact O-N 2.98Å; N324-Y327 WeakPolarHBondContact O-CB 3.02Å; N324-Y327 WeakPolarHBondContact O-CD2 3.29Å; N324-Y327 PolarHBondContact O-N 3.27Å; N324-C395 PolarHBondContact OD1-O 3.32Å
325	K	80.3	Confident	91.6	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.026	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	53.2	35.7	165.4	-62.9	161.7	-78.2	175.5	0	113.9	Y327 E466 P574 I575 I577 D578	K325-Y327 VanDerWaalsContact C-N 3.35Å; K325-Y327 HydrophobicContact CB-CD2 4.24Å; K325-Y327 HydrophobicContact CB-CE2 4.07Å; K325-E466 IonicContact NZ-OE1 2.8Å; K325-E466 PolarHBondContact NZ-OE1 3.15Å; K325-P574 VanDerWaalsContact C-CB 3.45Å; K325-P574 WeakPolarHBondContact O-CB 3.48Å; K325-I575 PolarHBondContact O-N 3.25Å; K325-I577 HydrophobicContact CD-CB 4.34Å; K325-I577 HydrophobicContact CD-CG2 4.28Å; K325-I577 HydrophobicContact CG-CB 4.14Å; K325-I577 HydrophobicContact CG-CD1 4.32Å; K325-I577 HydrophobicContact CG-CG2 4.3Å; K325-D578 VanDerWaalsContact CD-CG 3.41Å; K325-D578 WeakPolarHBondContact CD-OD1 3.33Å; K325-D578 WeakPolarHBondContact CD-OD2 3.26Å; K325-D578 WeakPolarHBondContact CE-OD1 3.39Å; K325-D578 WeakPolarHBondContact CE-OD2 3.43Å; K325-D578 IonicContact NZ-OD1 3.11Å; K325-D578 PolarHBondContact NZ-OD1 3.24Å; K325-D578 IonicContact NZ-OD2 3.27Å; K325-D578 PolarHBondContact NZ-OD2 2.89Å
326	G	84.2	Confident	91.8	Very high	1 Å²	1	7 Å²	7	1%	0.01	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	67.4	32.7	177	0	0	0	0	0	113.4	N324 R329 D336	N324-G326 PolarHBondContact O-N 2.98Å; G326-R329 WeakPolarHBondContact O-CD 2.99Å; G326-R329 VanDerWaalsContact O-CG 3.31Å; G326-R329 WeakPolarHBondContact O-CG 3.47Å; G326-R329 PolarHBondContact O-NE 3.18Å; G326-D336 WeakPolarHBondContact CA-OD2 3.5Å
327	Y	89.8	Confident	91.7	Very high	4 Å²	4	8 Å²	8	2%	0.016	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.3	177.6	-68	-46.9	0	0	0	114.3	E302 G303 N322 N324 K325 R329 F330 I575	E302-Y327 HydrophobicContact CB-CD1 3.96Å; E302-Y327 HydrophobicContact CB-CE1 4.25Å; E302-Y327 HydrophobicContact CB-CG 4.28Å; E302-Y327 HydrophobicContact CG-CD1 3.91Å; E302-Y327 HydrophobicContact CG-CE1 3.67Å; E302-Y327 HydrophobicContact CG-CG 4.48Å; G303-Y327 WeakPolarHBondContact CA-O 3.29Å; N322-Y327 WeakPolarHBondContact O-CB 3.25Å; N324-Y327 WeakPolarHBondContact O-CB 3.02Å; N324-Y327 WeakPolarHBondContact O-CD2 3.29Å; N324-Y327 PolarHBondContact O-N 3.27Å; K325-Y327 VanDerWaalsContact C-N 3.35Å; K325-Y327 HydrophobicContact CB-CD2 4.24Å; K325-Y327 HydrophobicContact CB-CE2 4.07Å; Y327-R329 PolarHBondContact O-N 2.88Å; Y327-F330 HydrophobicContact CD1-CD2 4.07Å; Y327-F330 AromaticContact CD1-CE2 3.91Å; Y327-F330 HydrophobicContact CD1-CE2 3.91Å; Y327-F330 PolarHBondContact O-N 3.24Å; Y327-I575 HydrophobicContact CD1-CD1 4.5Å; Y327-I575 HydrophobicContact CD1-CG1 4.48Å; Y327-I575 HydrophobicContact CE1-CD1 3.74Å; Y327-I575 HydrophobicContact CE1-CG1 3.71Å
328	A	94.2	Very high	91.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-61.3	-30.2	178.8	0	0	0	0	0	112.6	F323 F330 A331 F332 D336 T394	F323-A328 HydrophobicContact CB-CB 3.99Å; F323-A328 HydrophobicContact CD1-CB 4.13Å; F323-A328 HydrophobicContact CG-CB 4.05Å; A328-F330 PolarHBondContact O-N 3.3Å; A328-F330 VanDerWaalsContact O-N 3.14Å; A328-A331 PolarHBondContact O-N 3.25Å; A328-F332 HydrophobicContact CB-CE1 4.29Å; A328-F332 HydrophobicContact CB-CZ 4.09Å; A328-F332 PolarHBondContact O-N 3.32Å; A328-D336 WeakPolarHBondContact CB-OD1 3.31Å; A328-D336 PolarHBondContact N-OD2 3.46Å; A328-T394 HydrophobicContact CB-CG2 4.26Å
329	R	92.6	Very high	91	Very high	20 Å²	20	9.5 Å²	9.5	8%	0.075	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-56.8	-20.7	172.9	66.7	-167	66	178.9	1.8	115.3	N235 G236 D237 G326 Y327 D336 E337	N235-R329 HydrophobicContact CB-CB 3.73Å; G236-R329 WeakPolarHBondContact CA-O 3.49Å; D237-R329 HydrophobicContact CB-CG 4.3Å; D237-R329 PolarHBondContact N-O 3.01Å; G326-R329 WeakPolarHBondContact O-CD 2.99Å; G326-R329 VanDerWaalsContact O-CG 3.31Å; G326-R329 WeakPolarHBondContact O-CG 3.47Å; G326-R329 PolarHBondContact O-NE 3.18Å; Y327-R329 PolarHBondContact O-N 2.88Å; R329-D336 HydrophobicContact CB-CB 4.3Å; R329-D336 WeakPolarHBondContact CB-OD2 3.26Å; R329-D336 WeakPolarHBondContact CG-OD2 3.21Å; R329-D336 IonicContact CZ-OD2 3.67Å; R329-D336 PolarHBondContact N-OD2 2.87Å; R329-D336 IonicContact NE-OD2 2.71Å; R329-D336 PolarHBondContact NE-OD2 3.44Å; R329-D336 PolarHBondContact NH2-O 2.91Å; R329-D336 IonicContact NH2-OD2 2.78Å; R329-E337 IonicContact CZ-OE1 2.73Å; R329-E337 IonicContact NH1-OE1 3.22Å; R329-E337 IonicContact NH2-OE1 2.67Å; R329-E337 PolarHBondContact NH2-OE1 3.18Å
330	F	92.2	Very high	90.7	Very high	18 Å²	18	10.7 Å²	10.7	8%	0.079	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-83.4	-15.5	173.4	-68.1	-91.4	0	0	0	113.1	D237 E238 I239 Y327 A328	D237-F330 HydrophobicContact CB-CD1 4.01Å; D237-F330 HydrophobicContact CB-CD2 4.5Å; D237-F330 HydrophobicContact CB-CE1 3.7Å; D237-F330 HydrophobicContact CB-CE2 4.22Å; D237-F330 HydrophobicContact CB-CG 4.41Å; D237-F330 HydrophobicContact CB-CZ 3.82Å; D237-F330 WeakPolarHBondContact O-CA 3.25Å; E238-F330 HydrophobicContact CB-CD1 4.25Å; E238-F330 HydrophobicContact CG-CD1 4.4Å; E238-F330 HydrophobicContact CG-CE1 4.28Å; I239-F330 VanDerWaalsContact CG2-O 3.3Å; I239-F330 WeakPolarHBondContact CG2-O 3.22Å; Y327-F330 HydrophobicContact CD1-CD2 4.07Å; Y327-F330 AromaticContact CD1-CE2 3.91Å; Y327-F330 HydrophobicContact CD1-CE2 3.91Å; Y327-F330 PolarHBondContact O-N 3.24Å; A328-F330 PolarHBondContact O-N 3.3Å; A328-F330 VanDerWaalsContact O-N 3.14Å
331	A	95.7	Very high	90.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-37.7	179.6	0	0	0	0	0	113.2	F215 F293 L304 F323 A328	F215-A331 WeakPolarHBondContact CE2-O 3.37Å; F293-A331 VanDerWaalsContact CE2-O 3.24Å; F293-A331 WeakPolarHBondContact CE2-O 3.44Å; L304-A331 HydrophobicContact CD1-CB 4.28Å; L304-A331 HydrophobicContact CG-CB 3.87Å; F323-A331 HydrophobicContact CD1-CB 4.31Å; F323-A331 HydrophobicContact CE1-CB 3.39Å; F323-A331 HydrophobicContact CZ-CB 3.92Å; A328-A331 PolarHBondContact O-N 3.25Å
332	F	96.1	Very high	90.6	Very high	1 Å²	1	11.6 Å²	11.6	0%	0.004	6%	0.056	C	C	.	.	S	Bend	trans	-156.7	151.6	177.7	55.5	-86.3	0	0	0	112.7	I204 F293 F323 A328 C334 Y344 F346 L397	I204-F332 HydrophobicContact CD1-CD1 4.16Å; I204-F332 HydrophobicContact CD1-CD2 3.77Å; I204-F332 HydrophobicContact CD1-CE1 3.93Å; I204-F332 HydrophobicContact CD1-CE2 3.49Å; I204-F332 VanDerWaalsContact CD1-CE2 3.49Å; I204-F332 HydrophobicContact CD1-CG 4.1Å; I204-F332 HydrophobicContact CD1-CZ 3.59Å; I204-F332 HydrophobicContact CG1-CD2 4.25Å; I204-F332 HydrophobicContact CG1-CE2 4.42Å; I204-F332 HydrophobicContact CG1-CG 4.48Å; I204-F332 HydrophobicContact CG2-CD1 4.41Å; I204-F332 HydrophobicContact CG2-CG 4.39Å; F293-F332 HydrophobicContact CE1-CB 4.37Å; F293-F332 HydrophobicContact CE2-CB 4.14Å; F293-F332 HydrophobicContact CZ-CB 3.59Å; F323-F332 HydrophobicContact CE1-CE1 4.49Å; F323-F332 HydrophobicContact CE2-CE1 4.09Å; F323-F332 HydrophobicContact CZ-CE1 4.07Å; A328-F332 HydrophobicContact CB-CE1 4.29Å; A328-F332 HydrophobicContact CB-CZ 4.09Å; A328-F332 PolarHBondContact O-N 3.32Å; F332-C334 HydrophobicContact CD2-CB 3.76Å; F332-C334 HydrophobicContact CE2-CB 3.6Å; F332-C334 PolarHBondContact O-N 2.9Å; F332-C334 PolarHBondContact O-SG 2.8Å; F332-Y344 HydrophobicContact CE2-CE1 4.38Å; F332-F346 HydrophobicContact CE1-CE1 4.46Å; F332-F346 HydrophobicContact CE1-CZ 4.43Å; F332-L397 HydrophobicContact CZ-CD1 4.18Å
333	P	94.7	Very high	90.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.			trans	-64.7	125.5	174.6	-15.4	28.2	0	0	0	110.9	V219 L234 N235 I239 I241 L291 F293	V219-P333 HydrophobicContact CG1-CB 4.4Å; V219-P333 HydrophobicContact CG1-CG 4.21Å; L234-P333 HydrophobicContact CD1-CB 3.96Å; N235-P333 WeakPolarHBondContact O-CA 3.38Å; I239-P333 HydrophobicContact CD1-CB 4.3Å; I239-P333 HydrophobicContact CD1-CG 3.65Å; I241-P333 HydrophobicContact CD1-CG 3.69Å; L291-P333 HydrophobicContact CB-CG 4.49Å; L291-P333 HydrophobicContact CD1-CB 3.68Å; L291-P333 HydrophobicContact CD1-CG 3.94Å; F293-P333 HydrophobicContact CD1-CG 3.93Å; F293-P333 HydrophobicContact CE1-CG 4.19Å; F293-P333 HydrophobicContact CG-CG 4.34Å
334	C	94.9	Very high	91.1	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.027	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-157.9	176.1	-176.1	53.1	0	0	0	0	112.6	N235 F332 T394	N235-C334 WeakPolarHBondContact CB-O 3.08Å; N235-C334 PolarHBondContact N-O 2.85Å; N235-C334 PolarHBondContact O-N 3.28Å; N235-C334 VanDerWaalsContact O-N 3.16Å; N235-C334 PolarHBondContact OD1-O 2.84Å; F332-C334 HydrophobicContact CD2-CB 3.76Å; F332-C334 HydrophobicContact CE2-CB 3.6Å; F332-C334 PolarHBondContact O-N 2.9Å; F332-C334 PolarHBondContact O-SG 2.8Å; C334-T394 HydrophobicContact CB-CG2 4.29Å
335	W	92.8	Very high	91.7	Very high	12 Å²	12	13.7 Å²	13.7	5%	0.045	7%	0.067	C	C	.	.			trans	-93.2	100.2	161.9	-71.3	-67.2	0	0	0	108.1	W197 P199 I221 F223 V232 K233 L234 E337 F340	W197-W335 HydrophobicContact CB-CH2 3.76Å; W197-W335 HydrophobicContact CB-CZ2 3.48Å; W197-W335 VanDerWaalsContact CB-CZ2 3.48Å; W197-W335 HydrophobicContact CB-CZ3 4.48Å; W197-W335 AromaticContact CD2-CZ2 3.61Å; W197-W335 HydrophobicContact CD2-CZ2 3.61Å; W197-W335 AromaticContact CD2-NE1 3.98Å; W197-W335 AromaticContact CE3-CE2 3.69Å; W197-W335 AromaticContact CE3-CZ2 3.81Å; W197-W335 HydrophobicContact CE3-CZ2 3.81Å; W197-W335 AromaticContact CE3-NE1 3.23Å; W197-W335 HydrophobicContact CG-CH2 4.07Å; W197-W335 AromaticContact CG-CZ2 3.47Å; W197-W335 HydrophobicContact CG-CZ2 3.47Å; W197-W335 VanDerWaalsContact CG-CZ2 3.47Å; W197-W335 AromaticContact CZ3-NE1 3.75Å; P199-W335 HydrophobicContact CB-CE3 3.79Å; P199-W335 HydrophobicContact CB-CZ3 3.92Å; P199-W335 HydrophobicContact CG-CE3 3.98Å; P199-W335 HydrophobicContact CG-CZ3 4.49Å; I221-W335 HydrophobicContact CG2-CE3 4.47Å; I221-W335 HydrophobicContact CG2-CZ3 3.75Å; F223-W335 HydrophobicContact CB-CH2 3.96Å; F223-W335 HydrophobicContact CB-CZ3 3.83Å; F223-W335 AromaticContact CD1-CH2 3.96Å; F223-W335 HydrophobicContact CD1-CH2 3.96Å; F223-W335 HydrophobicContact CD1-CZ3 4.35Å; F223-W335 AromaticContact CD2-CH2 3.7Å; F223-W335 HydrophobicContact CD2-CH2 3.7Å; F223-W335 HydrophobicContact CD2-CZ3 4.45Å; F223-W335 HydrophobicContact CE1-CH2 4.36Å; F223-W335 HydrophobicContact CE2-CH2 4.12Å; F223-W335 AromaticContact CG-CH2 3.61Å; F223-W335 HydrophobicContact CG-CH2 3.61Å; F223-W335 AromaticContact CG-CZ3 3.99Å; F223-W335 HydrophobicContact CG-CZ3 3.99Å; F223-W335 HydrophobicContact CZ-CH2 4.43Å; V232-W335 HydrophobicContact CG1-CH2 4.29Å; V232-W335 HydrophobicContact CG1-CZ2 3.77Å; K233-W335 PolarHBondContact O-NE1 3.46Å; L234-W335 HydrophobicContact CD2-CD2 3.64Å; L234-W335 VanDerWaalsContact CD2-CE2 3.47Å; L234-W335 HydrophobicContact CD2-CE3 4Å; L234-W335 HydrophobicContact CD2-CG 4.11Å; L234-W335 HydrophobicContact CD2-CH2 4.08Å; L234-W335 HydrophobicContact CD2-CZ2 3.71Å; L234-W335 HydrophobicContact CD2-CZ3 4.22Å; W335-E337 PolarHBondContact O-N 3.43Å; W335-F340 HydrophobicContact CB-CB 3.93Å; W335-F340 HydrophobicContact CB-CD1 3.92Å; W335-F340 HydrophobicContact CB-CD2 3.71Å; W335-F340 HydrophobicContact CB-CE1 4.32Å; W335-F340 HydrophobicContact CB-CE2 4.13Å; W335-F340 HydrophobicContact CB-CG 3.58Å; W335-F340 HydrophobicContact CB-CZ 4.42Å; W335-F340 HydrophobicContact CG-CD1 4.12Å; W335-F340 HydrophobicContact CG-CD2 4.44Å; W335-F340 HydrophobicContact CG-CE1 4.14Å; W335-F340 HydrophobicContact CG-CE2 4.47Å; W335-F340 HydrophobicContact CG-CG 4.26Å; W335-F340 HydrophobicContact CG-CZ 4.32Å
336	D	91.4	Very high	92.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.			trans	-101.2	49.9	-162.6	-167.6	19.6	0	0	0	112	N235 G326 A328 R329 T394	N235-D336 HydrophobicContact CB-CB 3.82Å; N235-D336 PolarHBondContact OD1-N 3.25Å; G326-D336 WeakPolarHBondContact CA-OD2 3.5Å; A328-D336 WeakPolarHBondContact CB-OD1 3.31Å; A328-D336 PolarHBondContact N-OD2 3.46Å; R329-D336 HydrophobicContact CB-CB 4.3Å; R329-D336 WeakPolarHBondContact CB-OD2 3.26Å; R329-D336 WeakPolarHBondContact CG-OD2 3.21Å; R329-D336 IonicContact CZ-OD2 3.67Å; R329-D336 PolarHBondContact N-OD2 2.87Å; R329-D336 IonicContact NE-OD2 2.71Å; R329-D336 PolarHBondContact NE-OD2 3.44Å; R329-D336 PolarHBondContact NH2-O 2.91Å; R329-D336 IonicContact NH2-OD2 2.78Å; D336-T394 VanDerWaalsContact OD1-CB 3.3Å; D336-T394 WeakPolarHBondContact OD1-CB 3.21Å; D336-T394 PolarHBondContact OD1-OG1 3.44Å
337	E	87.2	Confident	93.1	Very high	53 Å²	53	14.4 Å²	14.4	25%	0.248	7%	0.071	C	C	.	.	S	Bend	trans	-137.7	145	-180	-59.7	-60.2	159.7	0	0	110.4	R329 W335 T339 F340 W518	R329-E337 IonicContact CZ-OE1 2.73Å; R329-E337 IonicContact NH1-OE1 3.22Å; R329-E337 IonicContact NH2-OE1 2.67Å; R329-E337 PolarHBondContact NH2-OE1 3.18Å; W335-E337 PolarHBondContact O-N 3.43Å; E337-T339 PolarHBondContact O-N 3.03Å; E337-F340 HydrophobicContact CB-CD2 4.07Å; E337-F340 HydrophobicContact CB-CE2 4.37Å; E337-F340 PolarHBondContact O-N 2.92Å; E337-W518 PolarHBondContact OE2-NE1 2.69Å
338	L	86.5	Confident	93.4	Very high	7 Å²	7	14.2 Å²	14.2	4%	0.037	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.8	-173	-73.7	163	0	0	0	115.5	F340 P393 P515 W518 S620	L338-F340 VanDerWaalsContact C-N 3.26Å; L338-F340 PolarHBondContact O-N 3.01Å; L338-P393 HydrophobicContact CD2-CB 4.44Å; L338-P515 WeakPolarHBondContact CB-O 3.31Å; L338-P515 HydrophobicContact CD1-CG 3.95Å; L338-P515 HydrophobicContact CD2-CG 4.33Å; L338-W518 HydrophobicContact CD1-CB 4.4Å; L338-W518 HydrophobicContact CD1-CD2 3.35Å; L338-W518 HydrophobicContact CD1-CE3 3.59Å; L338-W518 HydrophobicContact CD1-CG 3.69Å; L338-W518 HydrophobicContact CD1-CH2 4.42Å; L338-W518 HydrophobicContact CD1-CZ2 4.22Å; L338-W518 HydrophobicContact CD1-CZ3 4.13Å; L338-W518 HydrophobicContact CD2-CH2 4.18Å; L338-W518 HydrophobicContact CD2-CZ2 4.29Å; L338-W518 HydrophobicContact CD2-CZ3 4.34Å; L338-W518 HydrophobicContact CG-CD2 3.87Å; L338-W518 HydrophobicContact CG-CE3 4.17Å; L338-W518 HydrophobicContact CG-CG 4.47Å; L338-W518 HydrophobicContact CG-CH2 4.1Å; L338-W518 HydrophobicContact CG-CZ2 3.78Å; L338-W518 HydrophobicContact CG-CZ3 4.28Å; L338-S620 VanDerWaalsContact O-CB 3.32Å; L338-S620 WeakPolarHBondContact O-CB 3.45Å; L338-S620 PolarHBondContact O-OG 3.07Å
339	T	85.9	Confident	93.5	Very high	48 Å²	48	15 Å²	15	29%	0.294	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.5	-179.6	49.6	0	0	0	0	113.7	I192 E337 Q516	I192-T339 HydrophobicContact CG2-CG2 3.86Å; E337-T339 PolarHBondContact O-N 3.03Å; T339-Q516 HydrophobicContact CG2-CG 4.46Å; T339-Q516 VanDerWaalsContact CG2-O 3.23Å; T339-Q516 WeakPolarHBondContact CG2-O 3.34Å
340	F	89.9	Confident	93.6	Very high	29 Å²	29	14 Å²	14	13%	0.127	7%	0.071	C	C	.	.			trans	-92.5	119.3	-179.6	-63.1	-82.4	0	0	0	110.1	T195 P199 W335 E337 L338	T195-F340 HydrophobicContact CG2-CD1 4.37Å; T195-F340 HydrophobicContact CG2-CE1 3.58Å; T195-F340 HydrophobicContact CG2-CZ 3.71Å; P199-F340 HydrophobicContact CG-CB 4.08Å; P199-F340 HydrophobicContact CG-CD1 4.13Å; W335-F340 HydrophobicContact CB-CB 3.93Å; W335-F340 HydrophobicContact CB-CD1 3.92Å; W335-F340 HydrophobicContact CB-CD2 3.71Å; W335-F340 HydrophobicContact CB-CE1 4.32Å; W335-F340 HydrophobicContact CB-CE2 4.13Å; W335-F340 HydrophobicContact CB-CG 3.58Å; W335-F340 HydrophobicContact CB-CZ 4.42Å; W335-F340 HydrophobicContact CG-CD1 4.12Å; W335-F340 HydrophobicContact CG-CD2 4.44Å; W335-F340 HydrophobicContact CG-CE1 4.14Å; W335-F340 HydrophobicContact CG-CE2 4.47Å; W335-F340 HydrophobicContact CG-CG 4.26Å; W335-F340 HydrophobicContact CG-CZ 4.32Å; E337-F340 HydrophobicContact CB-CD2 4.07Å; E337-F340 HydrophobicContact CB-CE2 4.37Å; E337-F340 PolarHBondContact O-N 2.92Å; L338-F340 VanDerWaalsContact C-N 3.26Å; L338-F340 PolarHBondContact O-N 3.01Å
341	R	93.1	Very high	93.7	Very high	18 Å²	18	14.4 Å²	14.4	7%	0.068	8%	0.075	C	C	.	.			trans	-119.5	127.8	174.4	-60.1	-174.5	68.5	135.7	-2.2	111.5	K391 L392 A511 V512 S514 Y618 K619 S620	R341-K391 HydrophobicContact CB-CB 4.1Å; R341-K391 VanDerWaalsContact CZ-O 3.28Å; R341-K391 PolarHBondContact NE-O 3.38Å; R341-K391 PolarHBondContact NH2-O 3.13Å; R341-K391 WeakPolarHBondContact O-CD 3.11Å; R341-L392 CarbonylContact C-O 3.58Å; R341-L392 WeakPolarHBondContact CA-O 3.34Å; R341-A511 PolarHBondContact NH2-O 2.85Å; R341-V512 PolarHBondContact NH1-O 3.31Å; R341-V512 PolarHBondContact NH2-O 3.13Å; R341-S514 PolarHBondContact NH1-OG 2.8Å; R341-Y618 WeakPolarHBondContact CD-O 3.42Å; R341-Y618 VanDerWaalsContact CZ-C 3.47Å; R341-Y618 PolarHBondContact NE-O 3.5Å; R341-Y618 VanDerWaalsContact NE-O 3.16Å; R341-K619 PolarHBondContact NH1-O 2.73Å; R341-S620 VanDerWaalsContact CD-OG 3.31Å; R341-S620 WeakPolarHBondContact CD-OG 3.47Å
342	S	95.4	Very high	93.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-131.7	153.9	-179	-176.5	0	0	0	0	109.7	H201 S202 Y344 K391 L392	H201-S342 WeakPolarHBondContact CA-OG 3.26Å; H201-S342 PolarHBondContact N-OG 2.96Å; S202-S342 PolarHBondContact N-OG 2.71Å; S202-S342 PolarHBondContact OG-OG 2.7Å; S342-Y344 WeakPolarHBondContact O-CD2 3.46Å; S342-Y344 WeakPolarHBondContact O-CE2 3.17Å; S342-K391 CarbonylContact O-C 3.52Å; S342-K391 WeakPolarHBondContact O-CA 3.41Å; S342-L392 PolarHBondContact N-O 3.01Å; S342-L392 PolarHBondContact O-N 3.48Å
343	S	97	Very high	93	Very high	20 Å²	20	22.7 Å²	22.7	14%	0.14	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	149.3	156.4	57.8	0	0	0	0	109.4	N200 H201 S202 T389	N200-S343 PolarHBondContact O-N 3.09Å; N200-S343 PolarHBondContact O-OG 2.98Å; H201-S343 CarbonylContact C-O 3.55Å; H201-S343 WeakPolarHBondContact CA-O 3.24Å; H201-S343 WeakPolarHBondContact CA-OG 3.32Å; H201-S343 WeakPolarHBondContact CB-OG 3.09Å; H201-S343 PolarHBondContact ND1-OG 2.73Å; S202-S343 PolarHBondContact N-O 3.33Å; S343-T389 WeakPolarHBondContact CB-O 3.25Å
344	Y	97.3	Very high	92.9	Very high	6 Å²	6	23.7 Å²	23.7	2%	0.024	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.7	179.8	-63.7	-92.5	0	0	0	110.2	S202 I204 F332 S342 H388 T389 L392 T394 L397	S202-Y344 WeakPolarHBondContact O-CA 3.31Å; I204-Y344 HydrophobicContact CD1-CD1 3.79Å; I204-Y344 HydrophobicContact CD1-CE1 4.42Å; F332-Y344 HydrophobicContact CE2-CE1 4.38Å; S342-Y344 WeakPolarHBondContact O-CD2 3.46Å; S342-Y344 WeakPolarHBondContact O-CE2 3.17Å; Y344-H388 CarbonylContact O-C 3.58Å; Y344-H388 VanDerWaalsContact O-CA 3.23Å; Y344-H388 WeakPolarHBondContact O-CA 3.08Å; Y344-T389 PolarHBondContact N-OG1 3.25Å; Y344-T389 PolarHBondContact O-N 3.38Å; Y344-L392 WeakPolarHBondContact CE2-O 3.21Å; Y344-T394 WeakPolarHBondContact OH-CG2 3.4Å; Y344-L397 HydrophobicContact CD1-CD1 3.57Å; Y344-L397 HydrophobicContact CD2-CD1 3.67Å; Y344-L397 HydrophobicContact CD2-CD2 3.65Å; Y344-L397 HydrophobicContact CD2-CG 4.11Å; Y344-L397 HydrophobicContact CE1-CD1 3.73Å; Y344-L397 HydrophobicContact CE2-CD1 3.8Å; Y344-L397 HydrophobicContact CE2-CD2 4.32Å; Y344-L397 HydrophobicContact CE2-CG 4.35Å; Y344-L397 HydrophobicContact CG-CD1 3.54Å; Y344-L397 HydrophobicContact CG-CD2 3.87Å; Y344-L397 HydrophobicContact CG-CG 4.3Å
345	E	95.4	Very high	92.9	Very high	41 Å²	41	25.5 Å²	25.5	19%	0.192	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.4	165	62.4	175.3	-154.9	0	0	109.3	S202 S203 I204 H388	S202-E345 PolarHBondContact O-N 2.67Å; S202-E345 VanDerWaalsContact O-N 3.14Å; S203-E345 WeakPolarHBondContact CB-OE1 3.32Å; S203-E345 PolarHBondContact OG-OE1 2.77Å; I204-E345 PolarHBondContact N-O 3.11Å; E345-H388 HydrophobicContact CB-CB 4.28Å
346	F	96.8	Very high	93.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.5	175.7	-76.9	-71.6	0	0	0	110.7	I204 L206 F323 F332 S358 F386 L397	I204-F346 HydrophobicContact CB-CD1 3.86Å; I204-F346 HydrophobicContact CB-CE1 3.93Å; I204-F346 HydrophobicContact CD1-CD1 4.34Å; I204-F346 HydrophobicContact CD1-CE1 3.68Å; I204-F346 HydrophobicContact CD1-CZ 3.96Å; I204-F346 HydrophobicContact CG1-CE1 4.43Å; I204-F346 HydrophobicContact CG2-CD1 3.87Å; I204-F346 HydrophobicContact CG2-CE1 3.77Å; I204-F346 WeakPolarHBondContact O-CA 3.4Å; L206-F346 HydrophobicContact CD1-CD1 4.46Å; L206-F346 HydrophobicContact CD1-CE1 4.46Å; F323-F346 HydrophobicContact CE2-CZ 4.05Å; F332-F346 HydrophobicContact CE1-CE1 4.46Å; F332-F346 HydrophobicContact CE1-CZ 4.43Å; F346-S358 VanDerWaalsContact CD2-OG 3.31Å; F346-S358 WeakPolarHBondContact CD2-OG 3.26Å; F346-F386 HydrophobicContact CB-CD2 4.04Å; F346-F386 PolarHBondContact O-N 3.25Å; F346-L397 HydrophobicContact CE2-CB 4.32Å; F346-L397 HydrophobicContact CE2-CD1 4.47Å; F346-L397 HydrophobicContact CE2-CD2 4.47Å; F346-L397 HydrophobicContact CZ-CB 4.48Å; F346-L397 HydrophobicContact CZ-CD1 4.34Å
347	V	96.4	Very high	93.3	Very high	17 Å²	17	25.9 Å²	25.9	10%	0.103	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.7	167.2	-177.2	0	0	0	0	108	I204 K205 L206 V384 Q385	I204-V347 PolarHBondContact O-N 3.1Å; K205-V347 CarbonylContact C-O 3.24Å; K205-V347 VanDerWaalsContact CA-O 3.26Å; K205-V347 WeakPolarHBondContact CA-O 3.44Å; K205-V347 HydrophobicContact CB-CB 4.1Å; K205-V347 HydrophobicContact CD-CB 4.21Å; K205-V347 HydrophobicContact CD-CG1 3.84Å; K205-V347 HydrophobicContact CG-CB 4.1Å; K205-V347 HydrophobicContact CG-CG1 4.17Å; L206-V347 PolarHBondContact N-O 3.5Å; V347-V384 CarbonylContact C-O 3.57Å; V347-V384 WeakPolarHBondContact CA-O 3.27Å; V347-Q385 HydrophobicContact CG2-CB 4.17Å; V347-Q385 HydrophobicContact CG2-CG 3.9Å
348	V	96.8	Very high	93.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.8	-172.2	-176.6	0	0	0	0	110	L206 I208 I350 V356 S383 V384 L399	L206-V348 CarbonylContact O-C 3.6Å; L206-V348 WeakPolarHBondContact O-CA 3.23Å; I208-V348 HydrophobicContact CD1-CG1 3.89Å; I208-V348 HydrophobicContact CG1-CG1 4.43Å; V348-I350 HydrophobicContact CG1-CB 4.26Å; V348-I350 HydrophobicContact CG1-CD1 4.43Å; V348-I350 HydrophobicContact CG1-CG2 4.5Å; V348-V356 HydrophobicContact CB-CG1 4.17Å; V348-V356 HydrophobicContact CG1-CG1 4.15Å; V348-V356 HydrophobicContact CG1-CG2 4.49Å; V348-V356 HydrophobicContact CG2-CG1 4.26Å; V348-S383 CarbonylContact O-C 3.58Å; V348-S383 WeakPolarHBondContact O-CA 3.37Å; V348-V384 PolarHBondContact N-O 3.36Å; V348-V384 PolarHBondContact O-N 3.46Å; V348-L399 HydrophobicContact CG2-CD1 3.9Å; V348-L399 HydrophobicContact CG2-CD2 3.88Å
349	D	95.5	Very high	94.3	Very high	17 Å²	17	23.1 Å²	23.1	9%	0.091	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.2	170.3	-60.3	-6.6	0	0	0	108.8	K205 L206 A207 I208 I377 K382 S383	K205-D349 VanDerWaalsContact CE-CG 3.42Å; K205-D349 WeakPolarHBondContact CE-OD1 3.47Å; K205-D349 WeakPolarHBondContact CE-OD2 3.42Å; K205-D349 IonicContact NZ-OD1 3.26Å; K205-D349 PolarHBondContact NZ-OD1 2.93Å; K205-D349 IonicContact NZ-OD2 3.34Å; K205-D349 PolarHBondContact NZ-OD2 3.16Å; L206-D349 PolarHBondContact O-N 2.92Å; A207-D349 WeakPolarHBondContact CA-O 3.47Å; A207-D349 HydrophobicContact CB-CB 3.94Å; I208-D349 PolarHBondContact N-O 3.5Å; D349-I377 HydrophobicContact CB-CD1 3.81Å; D349-K382 WeakPolarHBondContact CA-O 3.49Å; D349-S383 VanDerWaalsContact OD1-CB 3.24Å; D349-S383 WeakPolarHBondContact OD1-CB 3.43Å; D349-S383 PolarHBondContact OD1-OG 2.97Å
350	I	94.9	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	161	-170.5	-159.3	155.4	0	0	0	111	I208 V348 Y354 V356 F381 K382 A401	I208-I350 HydrophobicContact CB-CD1 4.18Å; I208-I350 HydrophobicContact CB-CG1 4.42Å; I208-I350 HydrophobicContact CD1-CD1 4.41Å; I208-I350 HydrophobicContact CG2-CD1 4.24Å; V348-I350 HydrophobicContact CG1-CB 4.26Å; V348-I350 HydrophobicContact CG1-CD1 4.43Å; V348-I350 HydrophobicContact CG1-CG2 4.5Å; I350-Y354 HydrophobicContact CD1-CD1 4.11Å; I350-Y354 HydrophobicContact CD1-CG 4.2Å; I350-Y354 HydrophobicContact CG1-CD1 4.47Å; I350-Y354 HydrophobicContact CG1-CD2 4.5Å; I350-Y354 HydrophobicContact CG1-CG 4.13Å; I350-V356 HydrophobicContact CG2-CG2 3.6Å; I350-F381 VanDerWaalsContact C-CD1 3.41Å; I350-F381 CarbonylContact O-C 3.5Å; I350-F381 WeakPolarHBondContact O-CA 3.39Å; I350-K382 HydrophobicContact CG2-CG 4.28Å; I350-K382 PolarHBondContact N-O 3.04Å; I350-K382 PolarHBondContact O-N 2.63Å; I350-A401 HydrophobicContact CD1-CB 3.33Å
351	P	93.3	Very high	94.9	Very high	25 Å²	25	22.5 Å²	22.5	16%	0.162	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	147.5	175.9	-29.5	38.5	0	0	0	114.6	N353 Y354 G380 F381	P351-N353 VanDerWaalsContact C-N 3.25Å; P351-N353 WeakPolarHBondContact CB-OD1 3.39Å; P351-N353 PolarHBondContact O-N 2.92Å; P351-N353 VanDerWaalsContact O-N 3.14Å; P351-Y354 HydrophobicContact CB-CD2 4.05Å; P351-Y354 HydrophobicContact CB-CE2 4.3Å; P351-Y354 PolarHBondContact O-N 2.69Å; P351-Y354 VanDerWaalsContact O-N 3.14Å; P351-G380 CarbonylContact C-O 3.53Å; P351-G380 WeakPolarHBondContact CA-O 3.44Å; P351-F381 HydrophobicContact CG-CD1 4.44Å; P351-F381 HydrophobicContact CG-CE1 3.96Å; P351-F381 HydrophobicContact CG-CE2 4.17Å; P351-F381 HydrophobicContact CG-CZ 3.8Å
352	E	90.1	Very high	94.7	Very high	92 Å²	92	24.4 Å²	24.4	43%	0.43	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.3	-168.5	-81.3	170	-145.1	0	0	115.3	G380 K382	E352-G380 WeakPolarHBondContact CG-O 3.39Å; E352-G380 PolarHBondContact N-O 3.11Å; E352-G380 WeakPolarHBondContact OE1-CA 3.27Å; E352-K382 HydrophobicContact CG-CB 4.07Å; E352-K382 HydrophobicContact CG-CD 4.49Å; E352-K382 HydrophobicContact CG-CG 4.35Å; E352-K382 WeakPolarHBondContact O-CE 3.25Å; E352-K382 PolarHBondContact O-NZ 3.01Å
353	N	88.4	Confident	93.9	Very high	83 Å²	83	27.6 Å²	27.6	44%	0.444	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.4	177.4	60.9	-47.5	0	0	0	114.3	P351 T355 E403	P351-N353 VanDerWaalsContact C-N 3.25Å; P351-N353 WeakPolarHBondContact CB-OD1 3.39Å; P351-N353 PolarHBondContact O-N 2.92Å; P351-N353 VanDerWaalsContact O-N 3.14Å; N353-T355 PolarHBondContact O-N 3Å; N353-E403 PolarHBondContact ND2-OE1 3.3Å
354	Y	92.8	Very high	91.7	Very high	22 Å²	22	29.9 Å²	29.9	9%	0.086	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-77.4	124.6	-174.2	-77.4	-110.4	0	0	0	112.6	P210 I317 I350 P351 V356 K382 A401	P210-Y354 WeakPolarHBondContact CB-OH 3.32Å; P210-Y354 HydrophobicContact CG-CE1 4.06Å; P210-Y354 HydrophobicContact CG-CE2 4.2Å; I317-Y354 VanDerWaalsContact O-CE1 3.25Å; I317-Y354 WeakPolarHBondContact O-CE1 3.22Å; I317-Y354 PolarHBondContact O-OH 3.45Å; I350-Y354 HydrophobicContact CD1-CD1 4.11Å; I350-Y354 HydrophobicContact CD1-CG 4.2Å; I350-Y354 HydrophobicContact CG1-CD1 4.47Å; I350-Y354 HydrophobicContact CG1-CD2 4.5Å; I350-Y354 HydrophobicContact CG1-CG 4.13Å; P351-Y354 HydrophobicContact CB-CD2 4.05Å; P351-Y354 HydrophobicContact CB-CE2 4.3Å; P351-Y354 PolarHBondContact O-N 2.69Å; P351-Y354 VanDerWaalsContact O-N 3.14Å; Y354-V356 PolarHBondContact O-N 3.48Å; Y354-K382 WeakPolarHBondContact O-CE 3.31Å; Y354-K382 PolarHBondContact O-NZ 3.27Å; Y354-A401 HydrophobicContact CD1-CB 3.99Å
355	T	94.5	Very high	88.6	Confident	41 Å²	41	32.1 Å²	32.1	25%	0.252	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.7	163.8	-61	0	0	0	0	108.2	N353 I357 A401 M402 A404 Y420	N353-T355 PolarHBondContact O-N 3Å; T355-I357 HydrophobicContact CG2-CD1 4.29Å; T355-I357 HydrophobicContact CG2-CG1 4.02Å; T355-A401 VanDerWaalsContact O-CA 3.31Å; T355-A401 WeakPolarHBondContact O-CA 3.44Å; T355-M402 WeakPolarHBondContact CA-O 3.4Å; T355-M402 WeakPolarHBondContact CB-O 3.46Å; T355-M402 PolarHBondContact N-O 2.94Å; T355-M402 PolarHBondContact O-N 2.78Å; T355-M402 VanDerWaalsContact O-N 3.12Å; T355-A404 PolarHBondContact OG1-O 2.91Å; T355-Y420 HydrophobicContact CG2-CD1 4.16Å; T355-Y420 HydrophobicContact CG2-CE1 3.8Å
356	V	95.9	Very high	85.7	Confident	17 Å²	17	34.2 Å²	34.2	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.2	177.9	-168.6	0	0	0	0	109.5	V348 I350 Y354 V384 F386 L399 I400 A401	V348-V356 HydrophobicContact CB-CG1 4.17Å; V348-V356 HydrophobicContact CG1-CG1 4.15Å; V348-V356 HydrophobicContact CG1-CG2 4.49Å; V348-V356 HydrophobicContact CG2-CG1 4.26Å; I350-V356 HydrophobicContact CG2-CG2 3.6Å; Y354-V356 PolarHBondContact O-N 3.48Å; V356-V384 HydrophobicContact CB-CG2 4.48Å; V356-V384 HydrophobicContact CG2-CG2 4.22Å; V356-F386 HydrophobicContact CB-CZ 4.31Å; V356-F386 HydrophobicContact CG1-CE2 3.87Å; V356-F386 HydrophobicContact CG1-CZ 3.9Å; V356-L399 HydrophobicContact CG1-CD1 3.61Å; V356-I400 WeakPolarHBondContact CA-O 3.45Å; V356-A401 HydrophobicContact CG2-CB 4.21Å
357	I	97	Very high	82.5	Confident	3 Å²	3	39 Å²	39	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.1	-176.4	-45	168.1	0	0	0	107.9	T355 L399 I400 Y420 D457 V459 L474	T355-I357 HydrophobicContact CG2-CD1 4.29Å; T355-I357 HydrophobicContact CG2-CG1 4.02Å; I357-L399 WeakPolarHBondContact O-CA 3.34Å; I357-I400 HydrophobicContact CB-CG2 3.86Å; I357-I400 HydrophobicContact CD1-CG2 4.21Å; I357-I400 HydrophobicContact CG1-CG2 4.39Å; I357-I400 PolarHBondContact N-O 3.19Å; I357-I400 PolarHBondContact O-N 3.08Å; I357-Y420 HydrophobicContact CD1-CD1 3.48Å; I357-Y420 VanDerWaalsContact CD1-CD1 3.48Å; I357-Y420 HydrophobicContact CD1-CD2 3.7Å; I357-Y420 HydrophobicContact CD1-CE1 3.78Å; I357-Y420 HydrophobicContact CD1-CE2 4Å; I357-Y420 HydrophobicContact CD1-CG 3.44Å; I357-Y420 VanDerWaalsContact CD1-CG 3.44Å; I357-Y420 HydrophobicContact CG1-CD1 4.37Å; I357-Y420 HydrophobicContact CG1-CE1 4.2Å; I357-Y420 HydrophobicContact CG1-CE2 4.49Å; I357-Y420 HydrophobicContact CG2-CE2 4.47Å; I357-D457 HydrophobicContact CG2-CB 3.89Å; I357-D457 WeakPolarHBondContact CG2-OD2 3.44Å; I357-V459 HydrophobicContact CD1-CG1 4.43Å; I357-V459 HydrophobicContact CD1-CG2 3.61Å; I357-L474 HydrophobicContact CG2-CD1 3.79Å; I357-L474 HydrophobicContact CG2-CD2 4.47Å
358	S	96.8	Very high	79.1	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-174.5	179.1	-170.7	0	0	0	0	110.3	F346 M360 G398 K455	F346-S358 VanDerWaalsContact CD2-OG 3.31Å; F346-S358 WeakPolarHBondContact CD2-OG 3.26Å; S358-M360 PolarHBondContact O-N 3.17Å; S358-G398 VanDerWaalsContact CA-O 3.26Å; S358-G398 WeakPolarHBondContact CA-O 3.34Å; S358-G398 WeakPolarHBondContact CB-O 3.48Å; S358-G398 PolarHBondContact OG-O 3.49Å; S358-K455 PolarHBondContact O-NZ 2.91Å
359	N	96	Very high	75.9	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	32%	0.318	C	S	.	.	S	Bend	trans	-52.4	-49	-173	-67.7	103.4	0	0	0	114.6	T389 A396 L397 G398 K455 Y472	N359-T389 HydrophobicContact CB-CG2 3.94Å; N359-A396 PolarHBondContact ND2-O 3.24Å; N359-L397 VanDerWaalsContact OD1-CA 3.28Å; N359-L397 WeakPolarHBondContact OD1-CA 3.42Å; N359-G398 PolarHBondContact N-O 2.87Å; N359-G398 PolarHBondContact ND2-N 3.39Å; N359-G398 PolarHBondContact OD1-N 3.05Å; N359-G398 PolarHBondContact OD1-O 3.02Å; N359-K455 WeakPolarHBondContact O-CE 3.38Å; N359-K455 PolarHBondContact O-NZ 2.84Å; N359-Y472 CarbonylContact C-O 3.33Å; N359-Y472 WeakPolarHBondContact CA-O 3.39Å; N359-Y472 WeakPolarHBondContact CB-O 3.17Å; N359-Y472 PolarHBondContact ND2-N 3.08Å; N359-Y472 PolarHBondContact ND2-O 3.5Å
360	M	95.5	Very high	72.9	Confident	26 Å²	26	64.2 Å²	64.2	13%	0.128	35%	0.354	C	S	.	.	S	Bend	trans	-102.6	177.9	-171	-59.5	-58.3	-66.7	0	0	112.4	S358 F386 A387 T389 K455 Y472	S358-M360 PolarHBondContact O-N 3.17Å; M360-F386 WeakPolarHBondContact O-CD1 3.39Å; M360-A387 HydrophobicContact CB-CB 4.09Å; M360-A387 VanDerWaalsContact CB-O 3.29Å; M360-A387 WeakPolarHBondContact CB-O 3.49Å; M360-A387 VanDerWaalsContact CG-O 3.29Å; M360-A387 WeakPolarHBondContact CG-O 3.49Å; M360-T389 HydrophobicContact CG-CG2 3.8Å; M360-T389 HydrophobicContact SD-CG2 4.2Å; M360-K455 VanDerWaalsContact C-CE 3.44Å; M360-K455 WeakPolarHBondContact O-CE 3.23Å; M360-Y472 HydrophobicContact SD-CD1 4.16Å; M360-Y472 HydrophobicContact SD-CE1 3.92Å
361	T	93.4	Very high	70.1	Confident	38 Å²	38	68.1 Å²	68.1	23%	0.233	39%	0.386	C	S	.	.			trans	-63.2	149.9	166.7	41.6	0	0	0	0	111.5	F386 A387 E454 K455	T361-F386 CarbonylContact O-C 3.56Å; T361-F386 WeakPolarHBondContact O-CA 3.43Å; T361-A387 PolarHBondContact O-N 3.43Å; T361-E454 WeakPolarHBondContact CB-OE2 3.41Å; T361-E454 HydrophobicContact CG2-CB 4.01Å; T361-E454 WeakPolarHBondContact CG2-OE2 3.39Å; T361-E454 PolarHBondContact OG1-OE2 3.34Å; T361-K455 HydrophobicContact CG2-CB 4.49Å; T361-K455 HydrophobicContact CG2-CG 3.8Å
362	V	88.7	Confident	67.4	Low	59 Å²	59	72 Å²	72	36%	0.358	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-68.9	131.5	165.2	177	0	0	0	0	107.7	S364 V384 Q385 F386	V362-S364 PolarHBondContact O-N 3.43Å; V362-V384 HydrophobicContact CG1-CG1 4.15Å; V362-V384 HydrophobicContact CG2-CG1 3.89Å; V362-Q385 WeakPolarHBondContact CA-O 3.47Å; V362-Q385 WeakPolarHBondContact CG1-O 3.36Å; V362-F386 HydrophobicContact CG2-CD1 3.87Å; V362-F386 HydrophobicContact CG2-CE1 3.51Å; V362-F386 HydrophobicContact CG2-CZ 4.14Å
363	I	78.9	Confident	65.8	Low	67 Å²	67	70.4 Å²	70.4	34%	0.344	40%	0.403	S	S	.	.			trans	-63.9	115.1	177.4	-54.6	-173.8	0	0	0	107.8	N373 Q385 A387	I363-N373 VanDerWaalsContact O-CB 3.25Å; I363-N373 WeakPolarHBondContact O-CB 3.5Å; I363-N373 PolarHBondContact O-ND2 3.16Å; I363-Q385 HydrophobicContact CD1-CG 3.86Å; I363-Q385 HydrophobicContact CG1-CG 4.3Å; I363-Q385 PolarHBondContact N-O 2.87Å; I363-A387 HydrophobicContact CG1-CB 4.12Å
364	S	51.3	Low	64.2	Low	67 Å²	67	69.7 Å²	69.7	47%	0.469	40%	0.402	S	S	.	.			trans	-103.5	136.8	175.6	65.8	0	0	0	0	110.6	V362 A366	V362-S364 PolarHBondContact O-N 3.43Å; S364-A366 PolarHBondContact O-N 2.85Å; S364-A366 WeakPolarHBondContact OG-CB 3.48Å
365	A	31.6	Very low	62.8	Low	54 Å²	54	72 Å²	72	45%	0.446	42%	0.419	S	S	.	.			trans	-77.6	48.3	173.2	0	0	0	0	0	111.5	S367 F368 N373	A365-S367 PolarHBondContact O-N 2.91Å; A365-F368 PolarHBondContact O-N 3.26Å; A365-N373 PolarHBondContact N-ND2 3.35Å
366	A	34.4	Very low	61.5	Low	84 Å²	84	74.3 Å²	74.3	69%	0.694	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	48.8	-167.6	0	0	0	0	0	114.6	S364	S364-A366 PolarHBondContact O-N 2.85Å; S364-A366 WeakPolarHBondContact OG-CB 3.48Å
367	S	29.9	Very low	60.6	Low	106 Å²	106	77.6 Å²	77.6	74%	0.741	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-7.9	147.6	59.8	0	0	0	0	112.4	A365	A365-S367 PolarHBondContact O-N 2.91Å
368	F	26.3	Very low	59.4	Low	175 Å²	175	79.1 Å²	79.1	77%	0.768	47%	0.467	S	S	*	.	S	Bend	trans	-123.9	154.5	170.1	-74.5	-87.2	0	0	0	111.9	A365	A365-F368 PolarHBondContact O-N 3.26Å
369	Q	29.1	Very low	58.6	Low	191 Å²	191	87.1 Å²	87.1	89%	0.893	51%	0.51	S	S	*	.	S	Bend	trans	-81.2	142.9	-163.4	-66.3	171.9	-24	0	0	113.3
370	K	32.7	Very low	58.1	Low	197 Å²	197	88.8 Å²	88.8	86%	0.857	53%	0.527	S	S	*	.	S	Bend	trans	64.7	136	-169.1	-61.4	-179.1	177.1	178.4	0	113	V372	K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 2.9Å
371	A	36.5	Very low	57.9	Low	82 Å²	82	89.6 Å²	89.6	68%	0.678	53%	0.53	S	S	*	.			trans	-73.1	76	-168.4	0	0	0	0	0	113.8	N373	A371-N373 PolarHBondContact O-N 2.96Å
372	V	36.6	Very low	57.9	Low	106 Å²	106	89.1 Å²	89.1	64%	0.642	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	112.6	163.6	-175.7	0	0	0	0	108	K370	K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 2.9Å
373	N	54.7	Low	58.1	Low	58 Å²	58	87.2 Å²	87.2	31%	0.31	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	174.1	-12.4	166.2	-97	-5.5	0	0	0	111.2	I363 A365 A371 V375	I363-N373 VanDerWaalsContact O-CB 3.25Å; I363-N373 WeakPolarHBondContact O-CB 3.5Å; I363-N373 PolarHBondContact O-ND2 3.16Å; A365-N373 PolarHBondContact N-ND2 3.35Å; A371-N373 PolarHBondContact O-N 2.96Å; N373-V375 PolarHBondContact O-N 3.47Å; N373-V375 VanDerWaalsContact O-N 3.14Å
374	V	55.8	Low	58.8	Low	69 Å²	69	84.3 Å²	84.3	42%	0.418	50%	0.499	S	S	.	.	S	Bend	trans	-63.4	102.9	144.9	177.9	0	0	0	0	106.7	K382	V374-K382 HydrophobicContact CG1-CB 3.81Å; V374-K382 HydrophobicContact CG1-CD 3.63Å; V374-K382 HydrophobicContact CG1-CG 4.23Å
375	V	63.9	Low	60.9	Low	71 Å²	71	85 Å²	85	43%	0.43	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.1	-178.8	178.9	0	0	0	0	108.8	N373 I377 K382 S383	N373-V375 PolarHBondContact O-N 3.47Å; N373-V375 VanDerWaalsContact O-N 3.14Å; V375-I377 HydrophobicContact CG1-CG2 4.41Å; V375-I377 PolarHBondContact O-N 2.79Å; V375-K382 CarbonylContact O-C 3.58Å; V375-K382 VanDerWaalsContact O-CA 3.3Å; V375-K382 WeakPolarHBondContact O-CA 3.44Å; V375-S383 PolarHBondContact N-O 3.26Å; V375-S383 PolarHBondContact O-N 3.1Å
376	P	65.6	Low	63.9	Low	88 Å²	88	82.7 Å²	82.7	57%	0.571	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	118.6	166.2	-18.8	32.2	0	0	0	108.9	G378 F381	P376-G378 VanDerWaalsContact C-N 3.31Å; P376-F381 CarbonylContact C-O 3.59Å; P376-F381 WeakPolarHBondContact CA-O 3.45Å
377	I	77.4	Confident	66.8	Low	86 Å²	86	79.9 Å²	79.9	44%	0.441	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	9.9	179.2	59	170.2	0	0	0	112.3	D349 V375 F381	D349-I377 HydrophobicContact CB-CD1 3.81Å; V375-I377 HydrophobicContact CG1-CG2 4.41Å; V375-I377 PolarHBondContact O-N 2.79Å; I377-F381 HydrophobicContact CD1-CB 3.98Å; I377-F381 HydrophobicContact CG1-CB 3.69Å; I377-F381 WeakPolarHBondContact CG1-O 3.19Å; I377-F381 PolarHBondContact N-O 3.2Å
378	G	72.4	Confident	69.8	Low	36 Å²	36	80.5 Å²	80.5	37%	0.371	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.9	171.5	-176.3	0	0	0	0	0	112.9	P376 G380 F381	P376-G378 VanDerWaalsContact C-N 3.31Å; G378-G380 PolarHBondContact O-N 2.97Å; G378-F381 PolarHBondContact O-N 3.26Å
379	N	79.5	Confident	73.1	Confident	169 Å²	169	72.3 Å²	72.3	90%	0.904	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25.4	175.1	-54.3	-22.5	0	0	0	115.4
380	G	86.5	Confident	76.2	Confident	36 Å²	36	65.1 Å²	65.1	37%	0.371	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	16.3	-177.4	0	0	0	0	0	114.6	P351 E352 G378	P351-G380 CarbonylContact C-O 3.53Å; P351-G380 WeakPolarHBondContact CA-O 3.44Å; E352-G380 WeakPolarHBondContact CG-O 3.39Å; E352-G380 PolarHBondContact N-O 3.11Å; E352-G380 WeakPolarHBondContact OE1-CA 3.27Å; G378-G380 PolarHBondContact O-N 2.97Å
381	F	90.8	Very high	79.1	Confident	43 Å²	43	59 Å²	59	19%	0.189	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.6	175.4	-80.4	-111.4	0	0	0	111.6	F209 I350 P351 P376 I377 G378	F209-F381 HydrophobicContact CD1-CE1 4Å; F209-F381 AromaticContact CD1-CZ 3.72Å; F209-F381 HydrophobicContact CD1-CZ 3.72Å; F209-F381 AromaticContact CE1-CE1 3.91Å; F209-F381 HydrophobicContact CE1-CE1 3.91Å; F209-F381 AromaticContact CE1-CZ 3.82Å; F209-F381 HydrophobicContact CE1-CZ 3.82Å; I350-F381 VanDerWaalsContact C-CD1 3.41Å; I350-F381 CarbonylContact O-C 3.5Å; I350-F381 WeakPolarHBondContact O-CA 3.39Å; P351-F381 HydrophobicContact CG-CD1 4.44Å; P351-F381 HydrophobicContact CG-CE1 3.96Å; P351-F381 HydrophobicContact CG-CE2 4.17Å; P351-F381 HydrophobicContact CG-CZ 3.8Å; P376-F381 CarbonylContact C-O 3.59Å; P376-F381 WeakPolarHBondContact CA-O 3.45Å; I377-F381 HydrophobicContact CD1-CB 3.98Å; I377-F381 HydrophobicContact CG1-CB 3.69Å; I377-F381 WeakPolarHBondContact CG1-O 3.19Å; I377-F381 PolarHBondContact N-O 3.2Å; G378-F381 PolarHBondContact O-N 3.26Å
382	K	92.4	Very high	81.9	Confident	28 Å²	28	55 Å²	55	12%	0.122	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.4	170.6	60.9	-175.1	172.5	-169.6	0	111.3	D349 I350 E352 Y354 V374 V375 V384	D349-K382 WeakPolarHBondContact CA-O 3.49Å; I350-K382 HydrophobicContact CG2-CG 4.28Å; I350-K382 PolarHBondContact N-O 3.04Å; I350-K382 PolarHBondContact O-N 2.63Å; E352-K382 HydrophobicContact CG-CB 4.07Å; E352-K382 HydrophobicContact CG-CD 4.49Å; E352-K382 HydrophobicContact CG-CG 4.35Å; E352-K382 WeakPolarHBondContact O-CE 3.25Å; E352-K382 PolarHBondContact O-NZ 3.01Å; Y354-K382 WeakPolarHBondContact O-CE 3.31Å; Y354-K382 PolarHBondContact O-NZ 3.27Å; V374-K382 HydrophobicContact CG1-CB 3.81Å; V374-K382 HydrophobicContact CG1-CD 3.63Å; V374-K382 HydrophobicContact CG1-CG 4.23Å; V375-K382 CarbonylContact O-C 3.58Å; V375-K382 VanDerWaalsContact O-CA 3.3Å; V375-K382 WeakPolarHBondContact O-CA 3.44Å; K382-V384 HydrophobicContact CD-CG2 4.47Å; K382-V384 HydrophobicContact CG-CG2 4.45Å
383	S	93	Very high	84.6	Confident	18 Å²	18	50 Å²	50	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.6	166	-156.3	0	0	0	0	110.1	V348 D349 V375	V348-S383 CarbonylContact O-C 3.58Å; V348-S383 WeakPolarHBondContact O-CA 3.37Å; D349-S383 VanDerWaalsContact OD1-CB 3.24Å; D349-S383 WeakPolarHBondContact OD1-CB 3.43Å; D349-S383 PolarHBondContact OD1-OG 2.97Å; V375-S383 PolarHBondContact N-O 3.26Å; V375-S383 PolarHBondContact O-N 3.1Å
384	V	93.9	Very high	86.5	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.3	176.6	-175.5	0	0	0	0	108.9	V347 V348 V356 V362 K382 F386	V347-V384 CarbonylContact C-O 3.57Å; V347-V384 WeakPolarHBondContact CA-O 3.27Å; V348-V384 PolarHBondContact N-O 3.36Å; V348-V384 PolarHBondContact O-N 3.46Å; V356-V384 HydrophobicContact CB-CG2 4.48Å; V356-V384 HydrophobicContact CG2-CG2 4.22Å; V362-V384 HydrophobicContact CG1-CG1 4.15Å; V362-V384 HydrophobicContact CG2-CG1 3.89Å; K382-V384 HydrophobicContact CD-CG2 4.47Å; K382-V384 HydrophobicContact CG-CG2 4.45Å; V384-F386 HydrophobicContact CG1-CE2 3.88Å; V384-F386 HydrophobicContact CG1-CZ 3.9Å
385	Q	95	Very high	88.2	Confident	81 Å²	81	44.8 Å²	44.8	38%	0.379	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.6	178.1	177.4	167.4	5.8	0	0	111.5	V347 V362 I363	V347-Q385 HydrophobicContact CG2-CB 4.17Å; V347-Q385 HydrophobicContact CG2-CG 3.9Å; V362-Q385 WeakPolarHBondContact CA-O 3.47Å; V362-Q385 WeakPolarHBondContact CG1-O 3.36Å; I363-Q385 HydrophobicContact CD1-CG 3.86Å; I363-Q385 HydrophobicContact CG1-CG 4.3Å; I363-Q385 PolarHBondContact N-O 2.87Å
386	F	95.1	Very high	89.7	Confident	6 Å²	6	41.8 Å²	41.8	3%	0.026	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-94.6	151.9	175.5	-63.6	-85.7	0	0	0	111.6	F346 V356 M360 T361 V362 V384	F346-F386 HydrophobicContact CB-CD2 4.04Å; F346-F386 PolarHBondContact O-N 3.25Å; V356-F386 HydrophobicContact CB-CZ 4.31Å; V356-F386 HydrophobicContact CG1-CE2 3.87Å; V356-F386 HydrophobicContact CG1-CZ 3.9Å; M360-F386 WeakPolarHBondContact O-CD1 3.39Å; T361-F386 CarbonylContact O-C 3.56Å; T361-F386 WeakPolarHBondContact O-CA 3.43Å; V362-F386 HydrophobicContact CG2-CD1 3.87Å; V362-F386 HydrophobicContact CG2-CE1 3.51Å; V362-F386 HydrophobicContact CG2-CZ 4.14Å; V384-F386 HydrophobicContact CG1-CE2 3.88Å; V384-F386 HydrophobicContact CG1-CZ 3.9Å
387	A	94.9	Very high	91.2	Very high	24 Å²	24	37.6 Å²	37.6	20%	0.198	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-64.3	161.4	170.5	0	0	0	0	0	111	M360 T361 I363	M360-A387 HydrophobicContact CB-CB 4.09Å; M360-A387 VanDerWaalsContact CB-O 3.29Å; M360-A387 WeakPolarHBondContact CB-O 3.49Å; M360-A387 VanDerWaalsContact CG-O 3.29Å; M360-A387 WeakPolarHBondContact CG-O 3.49Å; T361-A387 PolarHBondContact O-N 3.43Å; I363-A387 HydrophobicContact CG1-CB 4.12Å
388	H	93.6	Very high	92	Very high	119 Å²	119	33.5 Å²	33.5	55%	0.551	19%	0.192	S	C	*	.	P	Polyproline II helix	trans	-79.9	141.8	-177.9	65.4	-96.9	0	0	0	112.2	Y344 E345	Y344-H388 CarbonylContact O-C 3.58Å; Y344-H388 VanDerWaalsContact O-CA 3.23Å; Y344-H388 WeakPolarHBondContact O-CA 3.08Å; E345-H388 HydrophobicContact CB-CB 4.28Å
389	T	95.8	Very high	93.2	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-71.8	162.9	175.1	68.4	0	0	0	0	112	S343 Y344 N359 M360 L392 L397	S343-T389 WeakPolarHBondContact CB-O 3.25Å; Y344-T389 PolarHBondContact N-OG1 3.25Å; Y344-T389 PolarHBondContact O-N 3.38Å; N359-T389 HydrophobicContact CB-CG2 3.94Å; M360-T389 HydrophobicContact CG-CG2 3.8Å; M360-T389 HydrophobicContact SD-CG2 4.2Å; T389-L392 HydrophobicContact CG2-CD1 3.89Å; T389-L397 HydrophobicContact CG2-CD2 4.13Å
390	P	94.7	Very high	94.1	Very high	40 Å²	40	23.9 Å²	23.9	26%	0.26	13%	0.132	S	C	.	.	S	Bend	trans	-56.3	175.9	154.3	-22.8	35.3	0	0	0	112.2	L392 Y472 Y618	P390-L392 PolarHBondContact O-N 2.91Å; P390-Y472 HydrophobicContact CG-CE1 3.98Å; P390-Y618 HydrophobicContact CB-CD1 3.76Å; P390-Y618 HydrophobicContact CB-CE1 3.57Å; P390-Y618 HydrophobicContact CG-CE1 3.88Å
391	K	93.9	Very high	94.6	Very high	67 Å²	67	22.3 Å²	22.3	29%	0.291	12%	0.115	S	C	.	.	S	Bend	trans	-65.9	108.5	171.3	-81.3	-159.5	174.5	-155.8	0	110.2	E198 P199 N200 R341 S342	E198-K391 IonicContact OE1-NZ 3.61Å; E198-K391 PolarHBondContact OE1-NZ 2.92Å; P199-K391 PolarHBondContact O-NZ 2.84Å; N200-K391 PolarHBondContact OD1-NZ 3.04Å; R341-K391 HydrophobicContact CB-CB 4.1Å; R341-K391 VanDerWaalsContact CZ-O 3.28Å; R341-K391 PolarHBondContact NE-O 3.38Å; R341-K391 PolarHBondContact NH2-O 3.13Å; R341-K391 WeakPolarHBondContact O-CD 3.11Å; S342-K391 CarbonylContact O-C 3.52Å; S342-K391 WeakPolarHBondContact O-CA 3.41Å
392	L	94.6	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-121.3	156.2	-178.8	-65	179	0	0	0	111.3	R341 S342 Y344 T389 P390 A396 L397 Y472	R341-L392 CarbonylContact C-O 3.58Å; R341-L392 WeakPolarHBondContact CA-O 3.34Å; S342-L392 PolarHBondContact N-O 3.01Å; S342-L392 PolarHBondContact O-N 3.48Å; Y344-L392 WeakPolarHBondContact CE2-O 3.21Å; T389-L392 HydrophobicContact CG2-CD1 3.89Å; P390-L392 PolarHBondContact O-N 2.91Å; L392-A396 HydrophobicContact CB-CB 4.33Å; L392-A396 HydrophobicContact CD1-CB 4.44Å; L392-L397 HydrophobicContact CD1-CD2 4.22Å; L392-Y472 VanDerWaalsContact CD1-CB 3.49Å; L392-Y472 HydrophobicContact CD1-CD1 3.89Å; L392-Y472 HydrophobicContact CD1-CD2 4.46Å; L392-Y472 HydrophobicContact CD1-CG 3.7Å; L392-Y472 HydrophobicContact CD2-CD2 3.94Å; L392-Y472 HydrophobicContact CD2-CE2 4.47Å; L392-Y472 HydrophobicContact CD2-CG 4.02Å
393	P	93.9	Very high	94.8	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.111	C	C	.	.			trans	-72.5	159.9	162.5	33.8	-35.6	0	0	0	110.9	L338 C395 A396	L338-P393 HydrophobicContact CD2-CB 4.44Å; P393-C395 VanDerWaalsContact C-N 3.28Å; P393-C395 PolarHBondContact O-N 3.45Å; P393-A396 HydrophobicContact CG-CB 4Å; P393-A396 PolarHBondContact O-N 3.48Å; P393-A396 VanDerWaalsContact O-N 3.15Å
394	T	94.4	Very high	94.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.3	180	45.9	0	0	0	0	113.5	A328 C334 D336 Y344 A396 L397	A328-T394 HydrophobicContact CB-CG2 4.26Å; C334-T394 HydrophobicContact CB-CG2 4.29Å; D336-T394 VanDerWaalsContact OD1-CB 3.3Å; D336-T394 WeakPolarHBondContact OD1-CB 3.21Å; D336-T394 PolarHBondContact OD1-OG1 3.44Å; Y344-T394 WeakPolarHBondContact OH-CG2 3.4Å; T394-A396 VanDerWaalsContact C-N 3.25Å; T394-A396 PolarHBondContact O-N 2.97Å; T394-L397 VanDerWaalsContact O-CB 3.31Å; T394-L397 WeakPolarHBondContact O-CB 3.49Å; T394-L397 WeakPolarHBondContact O-CG 3.5Å; T394-L397 PolarHBondContact O-N 2.9Å; T394-L397 VanDerWaalsContact O-N 3.16Å
395	C	91.6	Very high	94.8	Very high	17 Å²	17	23.5 Å²	23.5	12%	0.115	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-68.9	-17.5	-179.7	63.1	0	0	0	0	114.8	F323 N324 P393 L397 F471 W518	F323-C395 VanDerWaalsContact O-CA 3.31Å; F323-C395 WeakPolarHBondContact O-CA 3.49Å; N324-C395 PolarHBondContact OD1-O 3.32Å; P393-C395 VanDerWaalsContact C-N 3.28Å; P393-C395 PolarHBondContact O-N 3.45Å; C395-L397 PolarHBondContact O-N 2.86Å; C395-F471 WeakPolarHBondContact O-CD1 3.43Å; C395-W518 HydrophobicContact CB-CH2 3.93Å
396	A	94.6	Very high	94.8	Very high	7 Å²	7	24.5 Å²	24.5	6%	0.058	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-85.2	4.9	174.8	0	0	0	0	0	112.8	N359 L392 P393 T394 Y472 A511	N359-A396 PolarHBondContact ND2-O 3.24Å; L392-A396 HydrophobicContact CB-CB 4.33Å; L392-A396 HydrophobicContact CD1-CB 4.44Å; P393-A396 HydrophobicContact CG-CB 4Å; P393-A396 PolarHBondContact O-N 3.48Å; P393-A396 VanDerWaalsContact O-N 3.15Å; T394-A396 VanDerWaalsContact C-N 3.25Å; T394-A396 PolarHBondContact O-N 2.97Å; A396-Y472 PolarHBondContact O-N 2.86Å; A396-A511 HydrophobicContact CB-CB 4.33Å
397	L	96.4	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.			trans	-93.7	143.7	178	-59.5	176.2	0	0	0	111.3	F323 F332 Y344 F346 N359 T389 L392 T394 C395 F471	F323-L397 HydrophobicContact CD2-CB 3.83Å; F323-L397 VanDerWaalsContact CD2-O 3.29Å; F323-L397 WeakPolarHBondContact CD2-O 3.21Å; F323-L397 HydrophobicContact CE2-CB 4.41Å; F332-L397 HydrophobicContact CZ-CD1 4.18Å; Y344-L397 HydrophobicContact CD1-CD1 3.57Å; Y344-L397 HydrophobicContact CD2-CD1 3.67Å; Y344-L397 HydrophobicContact CD2-CD2 3.65Å; Y344-L397 HydrophobicContact CD2-CG 4.11Å; Y344-L397 HydrophobicContact CE1-CD1 3.73Å; Y344-L397 HydrophobicContact CE2-CD1 3.8Å; Y344-L397 HydrophobicContact CE2-CD2 4.32Å; Y344-L397 HydrophobicContact CE2-CG 4.35Å; Y344-L397 HydrophobicContact CG-CD1 3.54Å; Y344-L397 HydrophobicContact CG-CD2 3.87Å; Y344-L397 HydrophobicContact CG-CG 4.3Å; F346-L397 HydrophobicContact CE2-CB 4.32Å; F346-L397 HydrophobicContact CE2-CD1 4.47Å; F346-L397 HydrophobicContact CE2-CD2 4.47Å; F346-L397 HydrophobicContact CZ-CB 4.48Å; F346-L397 HydrophobicContact CZ-CD1 4.34Å; N359-L397 VanDerWaalsContact OD1-CA 3.28Å; N359-L397 WeakPolarHBondContact OD1-CA 3.42Å; T389-L397 HydrophobicContact CG2-CD2 4.13Å; L392-L397 HydrophobicContact CD1-CD2 4.22Å; T394-L397 VanDerWaalsContact O-CB 3.31Å; T394-L397 WeakPolarHBondContact O-CB 3.49Å; T394-L397 WeakPolarHBondContact O-CG 3.5Å; T394-L397 PolarHBondContact O-N 2.9Å; T394-L397 VanDerWaalsContact O-N 3.16Å; C395-L397 PolarHBondContact O-N 2.86Å; L397-F471 WeakPolarHBondContact O-CD1 3.38Å; L397-F471 WeakPolarHBondContact O-CE1 3.4Å; L397-F471 WeakPolarHBondContact O-CG 3.46Å
398	G	96	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.			trans	-143.9	145.3	179.3	0	0	0	0	0	112.4	S321 S358 N359	S321-G398 WeakPolarHBondContact OG-CA 3.21Å; S358-G398 VanDerWaalsContact CA-O 3.26Å; S358-G398 WeakPolarHBondContact CA-O 3.34Å; S358-G398 WeakPolarHBondContact CB-O 3.48Å; S358-G398 PolarHBondContact OG-O 3.49Å; N359-G398 PolarHBondContact N-O 2.87Å; N359-G398 PolarHBondContact ND2-N 3.39Å; N359-G398 PolarHBondContact OD1-N 3.05Å; N359-G398 PolarHBondContact OD1-O 3.02Å
399	L	97.2	Very high	95.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	124.4	175.3	175.6	63.2	0	0	0	109.2	L206 I208 S321 V348 V356 I357	L206-L399 HydrophobicContact CD1-CD2 3.89Å; I208-L399 HydrophobicContact CD1-CD2 4.46Å; S321-L399 VanDerWaalsContact CB-O 3.24Å; S321-L399 WeakPolarHBondContact CB-O 3.43Å; S321-L399 PolarHBondContact N-O 2.75Å; S321-L399 PolarHBondContact OG-N 3.23Å; S321-L399 PolarHBondContact OG-O 2.93Å; V348-L399 HydrophobicContact CG2-CD1 3.9Å; V348-L399 HydrophobicContact CG2-CD2 3.88Å; V356-L399 HydrophobicContact CG1-CD1 3.61Å; I357-L399 WeakPolarHBondContact O-CA 3.34Å
400	I	97.3	Very high	95.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144	169.4	-176.3	162.7	0	0	0	110	I319 V320 V356 I357 M402 V459 V461 L474 L476	I319-I400 CarbonylContact O-C 3.59Å; I319-I400 WeakPolarHBondContact O-CA 3.32Å; V320-I400 HydrophobicContact CG1-CD1 4.31Å; V320-I400 HydrophobicContact CG2-CD1 3.87Å; V320-I400 HydrophobicContact CG2-CG1 4.12Å; V356-I400 WeakPolarHBondContact CA-O 3.45Å; I357-I400 HydrophobicContact CB-CG2 3.86Å; I357-I400 HydrophobicContact CD1-CG2 4.21Å; I357-I400 HydrophobicContact CG1-CG2 4.39Å; I357-I400 PolarHBondContact N-O 3.19Å; I357-I400 PolarHBondContact O-N 3.08Å; I400-M402 HydrophobicContact CD1-SD 4.06Å; I400-V459 HydrophobicContact CD1-CG1 4.12Å; I400-V459 HydrophobicContact CG2-CG2 4.02Å; I400-V461 HydrophobicContact CD1-CG1 4.3Å; I400-V461 HydrophobicContact CD1-CG2 3.54Å; I400-L474 HydrophobicContact CG2-CD2 4.47Å; I400-L476 HydrophobicContact CB-CD2 4.14Å; I400-L476 HydrophobicContact CD1-CD2 4.12Å; I400-L476 HydrophobicContact CG2-CD2 3.76Å
401	A	96.6	Very high	95.1	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	121.3	170.6	0	0	0	0	0	110.6	I319 I350 Y354 T355 V356	I319-A401 PolarHBondContact N-O 3.46Å; I319-A401 PolarHBondContact O-N 2.98Å; I350-A401 HydrophobicContact CD1-CB 3.33Å; Y354-A401 HydrophobicContact CD1-CB 3.99Å; T355-A401 VanDerWaalsContact O-CA 3.31Å; T355-A401 WeakPolarHBondContact O-CA 3.44Å; V356-A401 HydrophobicContact CG2-CB 4.21Å
402	M	94.9	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	169.6	178.3	64.1	180	-65.3	0	0	110.2	Y309 A318 T355 I400 A404 M422 V459	Y309-M402 HydrophobicContact CE1-CE 4.5Å; Y309-M402 HydrophobicContact CE2-CE 4.45Å; A318-M402 HydrophobicContact CB-CB 3.78Å; T355-M402 WeakPolarHBondContact CA-O 3.4Å; T355-M402 WeakPolarHBondContact CB-O 3.46Å; T355-M402 PolarHBondContact N-O 2.94Å; T355-M402 PolarHBondContact O-N 2.78Å; T355-M402 VanDerWaalsContact O-N 3.12Å; I400-M402 HydrophobicContact CD1-SD 4.06Å; M402-A404 HydrophobicContact CE-CB 4.39Å; M402-A404 HydrophobicContact CG-CB 3.81Å; M402-A404 PolarHBondContact O-N 3.12Å; M402-A404 HydrophobicContact SD-CB 4.18Å; M402-M422 HydrophobicContact CE-CG 4.32Å; M402-V459 HydrophobicContact SD-CG1 3.97Å
403	E	92.7	Very high	94.4	Very high	46 Å²	46	32.4 Å²	32.4	22%	0.215	18%	0.182	C	C	.	.	S	Bend	trans	-75	106.9	165.2	-72.6	-177.5	-160.1	0	0	109.4	Y309 K316 N353 P423	Y309-E403 PolarHBondContact OH-N 3.05Å; Y309-E403 PolarHBondContact OH-O 3.2Å; K316-E403 IonicContact NZ-OE1 2.7Å; K316-E403 IonicContact NZ-OE2 2.71Å; K316-E403 PolarHBondContact NZ-OE2 3.06Å; N353-E403 PolarHBondContact ND2-OE1 3.3Å; E403-P423 WeakPolarHBondContact O-CD 3.5Å
404	A	92.8	Very high	94.3	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.025	21%	0.205	C	C	.	.			trans	-145.5	142.3	-178.4	0	0	0	0	0	113.4	T355 M402 Y420 G421	T355-A404 PolarHBondContact OG1-O 2.91Å; M402-A404 HydrophobicContact CE-CB 4.39Å; M402-A404 HydrophobicContact CG-CB 3.81Å; M402-A404 PolarHBondContact O-N 3.12Å; M402-A404 HydrophobicContact SD-CB 4.18Å; A404-Y420 HydrophobicContact CB-CD1 4.35Å; A404-G421 VanDerWaalsContact CA-O 3.22Å; A404-G421 WeakPolarHBondContact CA-O 3.34Å; A404-G421 WeakPolarHBondContact CB-O 3.3Å
405	N	94.5	Very high	94.3	Very high	73 Å²	73	35 Å²	35	39%	0.39	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	163.7	170.2	-74.6	-20.7	0	0	0	109.4	Y420 G421 Y426	N405-Y420 CarbonylContact O-C 3.59Å; N405-Y420 VanDerWaalsContact O-CA 3.24Å; N405-Y420 WeakPolarHBondContact O-CA 3.18Å; N405-G421 PolarHBondContact N-O 2.88Å; N405-G421 PolarHBondContact O-N 2.73Å; N405-Y426 HydrophobicContact CB-CD1 3.6Å; N405-Y426 HydrophobicContact CB-CD2 4.1Å; N405-Y426 HydrophobicContact CB-CE1 3.67Å; N405-Y426 HydrophobicContact CB-CE2 4.18Å; N405-Y426 HydrophobicContact CB-CG 3.82Å; N405-Y426 WeakPolarHBondContact O-CB 3.41Å
406	Y	96.3	Very high	94.6	Very high	102 Å²	102	36.8 Å²	36.8	40%	0.4	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.3	-177.3	61.8	-84.3	0	0	0	114.5	E408 R418 F419 Y420 Y426	Y406-E408 HydrophobicContact CD2-CB 4.15Å; Y406-E408 HydrophobicContact CE2-CB 4.12Å; Y406-R418 HydrophobicContact CD2-CB 4.03Å; Y406-R418 HydrophobicContact CD2-CG 3.68Å; Y406-R418 HydrophobicContact CE2-CG 3.99Å; Y406-R418 VanDerWaalsContact CE2-NE 3.34Å; Y406-R418 HydrophobicContact CG-CB 4.35Å; Y406-R418 HydrophobicContact CG-CG 4.37Å; Y406-F419 VanDerWaalsContact CA-O 3.26Å; Y406-F419 WeakPolarHBondContact CA-O 3.4Å; Y406-Y420 AromaticContact CD1-CD1 3.86Å; Y406-Y420 HydrophobicContact CD1-CD1 3.86Å; Y406-Y420 AromaticContact CD1-CE1 3.3Å; Y406-Y420 HydrophobicContact CD1-CE1 3.3Å; Y406-Y420 HydrophobicContact CD1-CE2 4.49Å; Y406-Y420 AromaticContact CD1-CZ 3.67Å; Y406-Y420 HydrophobicContact CE1-CE1 4.06Å; Y406-Y420 HydrophobicContact CG-CD1 4.18Å; Y406-Y420 AromaticContact CG-CE1 3.88Å; Y406-Y420 HydrophobicContact CG-CE1 3.88Å; Y406-Y420 HydrophobicContact CG-CE2 4.36Å; Y406-Y420 AromaticContact CG-CZ 3.97Å; Y406-Y426 VanDerWaalsContact C-CD2 3.49Å; Y406-Y426 WeakPolarHBondContact O-CE2 3.46Å
407	V	97	Very high	94.8	Very high	20 Å²	20	36.4 Å²	36.4	12%	0.121	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150	157.9	-73.5	0	0	0	0	109.6	R418 F419 Y426 N429 L433	V407-R418 CarbonylContact O-C 3.58Å; V407-R418 VanDerWaalsContact O-CA 3.29Å; V407-R418 WeakPolarHBondContact O-CA 3.49Å; V407-F419 HydrophobicContact CG2-CB 4.03Å; V407-F419 PolarHBondContact N-O 3.26Å; V407-F419 VanDerWaalsContact N-O 3.08Å; V407-F419 PolarHBondContact O-N 2.96Å; V407-Y426 HydrophobicContact CG1-CD2 4.05Å; V407-Y426 HydrophobicContact CG1-CE2 4.09Å; V407-N429 HydrophobicContact CG2-CB 4.28Å; V407-L433 HydrophobicContact CB-CD2 4.28Å; V407-L433 HydrophobicContact CG2-CD2 3.87Å; V407-L433 WeakPolarHBondContact O-CD2 3.19Å
408	E	97.6	Very high	94.8	Very high	76 Å²	76	38.9 Å²	38.9	36%	0.355	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.7	-172.7	-169.8	173.6	87.8	0	0	112.5	Y406 I416 F417 R418	Y406-E408 HydrophobicContact CD2-CB 4.15Å; Y406-E408 HydrophobicContact CE2-CB 4.12Å; E408-I416 HydrophobicContact CG-CG2 3.81Å; E408-F417 CarbonylContact C-O 3.49Å; E408-F417 WeakPolarHBondContact CA-O 3.27Å; E408-R418 HydrophobicContact CB-CG 4.39Å; E408-R418 HydrophobicContact CG-CG 4.07Å; E408-R418 IonicContact OE2-CZ 2.77Å; E408-R418 IonicContact OE2-NE 3.54Å; E408-R418 PolarHBondContact OE2-NE 2.92Å; E408-R418 IonicContact OE2-NH2 3.59Å; E408-R418 PolarHBondContact OE2-NH2 3.21Å
409	R	97.4	Very high	94.9	Very high	80 Å²	80	39 Å²	39	30%	0.302	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.2	168.9	-69.2	-61.8	-175.4	-90.5	-3.8	110.5	F417 L433 D434 V437	R409-F417 HydrophobicContact CB-CB 4.48Å; R409-F417 PolarHBondContact N-O 3.13Å; R409-F417 PolarHBondContact O-N 3.29Å; R409-L433 HydrophobicContact CB-CD2 4.3Å; R409-L433 HydrophobicContact CB-CG 4.29Å; R409-L433 HydrophobicContact CG-CD2 3.8Å; R409-L433 HydrophobicContact CG-CG 3.78Å; R409-D434 IonicContact CZ-OD1 2.66Å; R409-D434 IonicContact CZ-OD2 2.69Å; R409-D434 IonicContact NE-OD1 2.74Å; R409-D434 PolarHBondContact NE-OD1 2.92Å; R409-D434 IonicContact NE-OD2 2.73Å; R409-D434 VanDerWaalsContact NH2-CG 3.35Å; R409-D434 IonicContact NH2-OD1 3.91Å; R409-D434 PolarHBondContact NH2-OD1 3.24Å; R409-D434 IonicContact NH2-OD2 3.16Å; R409-D434 PolarHBondContact NH2-OD2 3.15Å; R409-V437 HydrophobicContact CB-CG2 3.88Å; R409-V437 HydrophobicContact CG-CG2 4.37Å
410	I	95.2	Very high	94.8	Very high	125 Å²	125	39.7 Å²	39.7	64%	0.641	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108	129.9	166.1	-59.1	172.6	0	0	0	107
411	G	91.8	Very high	94.6	Very high	17 Å²	17	39.7 Å²	39.7	18%	0.175	22%	0.224	C	C	.	.			trans	-117.1	-153.7	-179.7	0	0	0	0	0	113.5	G414 M415	G411-G414 PolarHBondContact O-N 3.32Å; G411-G414 VanDerWaalsContact O-N 3.17Å; G411-M415 PolarHBondContact N-O 2.88Å
412	P	87.1	Confident	94.3	Very high	32 Å²	32	40.4 Å²	40.4	21%	0.208	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-51.5	139.8	-178.9	-28.3	36.3	0	0	0	113.3	G414 M415 Y440 A441	P412-G414 PolarHBondContact O-N 3.37Å; P412-M415 WeakPolarHBondContact O-CB 3.3Å; P412-M415 PolarHBondContact O-N 3.09Å; P412-M415 VanDerWaalsContact O-N 3.11Å; P412-Y440 HydrophobicContact CG-CD1 4.17Å; P412-A441 HydrophobicContact CG-CB 3.61Å
413	G	87	Confident	94	Very high	75 Å²	75	42.5 Å²	42.5	77%	0.773	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	65.7	3.4	179.3	0	0	0	0	0	115.8
414	G	92.3	Very high	93.5	Very high	48 Å²	48	43.8 Å²	43.8	50%	0.495	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	87.9	8.3	-172.2	0	0	0	0	0	114.2	G411 P412 I416	G411-G414 PolarHBondContact O-N 3.32Å; G411-G414 VanDerWaalsContact O-N 3.17Å; P412-G414 PolarHBondContact O-N 3.37Å; G414-I416 PolarHBondContact O-N 3.49Å
415	M	94.4	Very high	93.1	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.039	26%	0.26	C	S	.	.			trans	-60.5	133.2	177.6	-173.8	171.6	79	0	0	111	G411 P412 F417 Y440 L453 L456	G411-M415 PolarHBondContact N-O 2.88Å; P412-M415 WeakPolarHBondContact O-CB 3.3Å; P412-M415 PolarHBondContact O-N 3.09Å; P412-M415 VanDerWaalsContact O-N 3.11Å; M415-F417 HydrophobicContact CB-CE2 4.24Å; M415-F417 HydrophobicContact CE-CD1 4.23Å; M415-F417 HydrophobicContact CE-CD2 4.03Å; M415-F417 HydrophobicContact CE-CE1 3.59Å; M415-F417 HydrophobicContact CE-CE2 3.31Å; M415-F417 HydrophobicContact CE-CG 4.45Å; M415-F417 HydrophobicContact CE-CZ 3.09Å; M415-F417 HydrophobicContact CG-CE2 4.35Å; M415-F417 WeakPolarHBondContact O-CD2 3.23Å; M415-Y440 HydrophobicContact CE-CD1 4.13Å; M415-Y440 HydrophobicContact CE-CD2 3.92Å; M415-Y440 HydrophobicContact CE-CE1 3.83Å; M415-Y440 HydrophobicContact CE-CE2 3.6Å; M415-Y440 HydrophobicContact CE-CG 4.19Å; M415-L453 WeakPolarHBondContact CG-O 3.45Å; M415-L453 HydrophobicContact SD-CB 3.38Å; M415-L453 WeakPolarHBondContact SD-CB 3.46Å; M415-L453 HydrophobicContact SD-CD1 4.41Å; M415-L453 VanDerWaalsContact SD-O 3.39Å; M415-L456 HydrophobicContact CE-CB 3.84Å; M415-L456 HydrophobicContact CE-CD2 4.41Å; M415-L456 HydrophobicContact SD-CB 4.34Å
416	I	97.6	Very high	92.8	Very high	54 Å²	54	43.1 Å²	43.1	28%	0.277	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.1	179.1	-57	175.9	0	0	0	109.6	E408 G414 R418 E454 K455 L456	E408-I416 HydrophobicContact CG-CG2 3.81Å; G414-I416 PolarHBondContact O-N 3.49Å; I416-R418 HydrophobicContact CG2-CG 4.22Å; I416-E454 PolarHBondContact N-O 3.3Å; I416-E454 VanDerWaalsContact N-O 3.07Å; I416-K455 HydrophobicContact CB-CB 4.21Å; I416-K455 CarbonylContact O-C 2.97Å; I416-K455 WeakPolarHBondContact O-CA 3.33Å; I416-K455 WeakPolarHBondContact O-CB 3.48Å; I416-L456 PolarHBondContact O-N 2.94Å
417	F	98	Very high	92.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.8	172.3	-65.3	-113.9	0	0	0	109.6	E408 R409 M415 L433 I436 V437 Y440 L456	E408-F417 CarbonylContact C-O 3.49Å; E408-F417 WeakPolarHBondContact CA-O 3.27Å; R409-F417 HydrophobicContact CB-CB 4.48Å; R409-F417 PolarHBondContact N-O 3.13Å; R409-F417 PolarHBondContact O-N 3.29Å; M415-F417 HydrophobicContact CB-CE2 4.24Å; M415-F417 HydrophobicContact CE-CD1 4.23Å; M415-F417 HydrophobicContact CE-CD2 4.03Å; M415-F417 HydrophobicContact CE-CE1 3.59Å; M415-F417 HydrophobicContact CE-CE2 3.31Å; M415-F417 HydrophobicContact CE-CG 4.45Å; M415-F417 HydrophobicContact CE-CZ 3.09Å; M415-F417 HydrophobicContact CG-CE2 4.35Å; M415-F417 WeakPolarHBondContact O-CD2 3.23Å; F417-L433 HydrophobicContact CB-CD1 3.69Å; F417-I436 HydrophobicContact CD1-CG2 3.62Å; F417-I436 HydrophobicContact CE1-CG2 3.85Å; F417-V437 HydrophobicContact CB-CG2 4Å; F417-V437 HydrophobicContact CD1-CG2 3.9Å; F417-V437 HydrophobicContact CD2-CG2 3.83Å; F417-V437 HydrophobicContact CE1-CG2 4.18Å; F417-V437 HydrophobicContact CE2-CG2 4.16Å; F417-V437 HydrophobicContact CG-CG2 3.67Å; F417-V437 HydrophobicContact CZ-CG2 4.28Å; F417-Y440 HydrophobicContact CE1-CD2 4.27Å; F417-Y440 AromaticContact CE1-CG 3.95Å; F417-Y440 HydrophobicContact CE1-CG 3.95Å; F417-Y440 AromaticContact CZ-CD1 3.74Å; F417-Y440 HydrophobicContact CZ-CD1 3.74Å; F417-Y440 HydrophobicContact CZ-CD2 4.2Å; F417-Y440 HydrophobicContact CZ-CE1 4.45Å; F417-Y440 AromaticContact CZ-CG 3.62Å; F417-Y440 HydrophobicContact CZ-CG 3.62Å; F417-L456 WeakPolarHBondContact CA-O 3.45Å; F417-L456 HydrophobicContact CD1-CB 4.22Å; F417-L456 HydrophobicContact CD1-CD2 4.24Å; F417-L456 HydrophobicContact CE1-CD2 4.03Å
418	R	97.9	Very high	91.9	Very high	51 Å²	51	49.4 Å²	49.4	19%	0.192	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.7	173.9	-63.4	178.8	175.4	122.7	8.2	110.7	Y406 V407 E408 I416 Y420 L456 D457 Y458	Y406-R418 HydrophobicContact CD2-CB 4.03Å; Y406-R418 HydrophobicContact CD2-CG 3.68Å; Y406-R418 HydrophobicContact CE2-CG 3.99Å; Y406-R418 VanDerWaalsContact CE2-NE 3.34Å; Y406-R418 HydrophobicContact CG-CB 4.35Å; Y406-R418 HydrophobicContact CG-CG 4.37Å; V407-R418 CarbonylContact O-C 3.58Å; V407-R418 VanDerWaalsContact O-CA 3.29Å; V407-R418 WeakPolarHBondContact O-CA 3.49Å; E408-R418 HydrophobicContact CB-CG 4.39Å; E408-R418 HydrophobicContact CG-CG 4.07Å; E408-R418 IonicContact OE2-CZ 2.77Å; E408-R418 IonicContact OE2-NE 3.54Å; E408-R418 PolarHBondContact OE2-NE 2.92Å; E408-R418 IonicContact OE2-NH2 3.59Å; E408-R418 PolarHBondContact OE2-NH2 3.21Å; I416-R418 HydrophobicContact CG2-CG 4.22Å; R418-Y420 HydrophobicContact CB-CD2 4.01Å; R418-Y420 HydrophobicContact CB-CE2 3.56Å; R418-Y420 WeakPolarHBondContact CD-OH 3.28Å; R418-Y420 HydrophobicContact CG-CE2 4.31Å; R418-L456 PolarHBondContact N-O 3Å; R418-D457 WeakPolarHBondContact CB-OD1 3.14Å; R418-D457 CarbonylContact O-C 3.52Å; R418-Y458 PolarHBondContact O-N 3.48Å
419	F	96.6	Very high	91.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	105.5	167.5	-150.3	147.2	0	0	0	109.2	Y406 V407 N429 A432 L433 I436 Y458 L482	Y406-F419 VanDerWaalsContact CA-O 3.26Å; Y406-F419 WeakPolarHBondContact CA-O 3.4Å; V407-F419 HydrophobicContact CG2-CB 4.03Å; V407-F419 PolarHBondContact N-O 3.26Å; V407-F419 VanDerWaalsContact N-O 3.08Å; V407-F419 PolarHBondContact O-N 2.96Å; F419-N429 HydrophobicContact CB-CB 3.89Å; F419-N429 HydrophobicContact CD1-CB 3.82Å; F419-N429 HydrophobicContact CD2-CB 3.83Å; F419-N429 VanDerWaalsContact CD2-ND2 3.26Å; F419-N429 WeakPolarHBondContact CD2-ND2 3.44Å; F419-N429 HydrophobicContact CE1-CB 4.28Å; F419-N429 HydrophobicContact CE2-CB 4.28Å; F419-N429 WeakPolarHBondContact CE2-ND2 3.21Å; F419-N429 HydrophobicContact CG-CB 3.57Å; F419-N429 HydrophobicContact CZ-CB 4.49Å; F419-A432 HydrophobicContact CD1-CB 4.03Å; F419-A432 HydrophobicContact CE1-CB 3.66Å; F419-L433 HydrophobicContact CB-CB 4.25Å; F419-L433 HydrophobicContact CB-CD1 4.3Å; F419-L433 HydrophobicContact CB-CD2 4.33Å; F419-L433 HydrophobicContact CD1-CB 4.45Å; F419-I436 HydrophobicContact CD1-CD1 3.74Å; F419-I436 HydrophobicContact CE1-CD1 3.74Å; F419-Y458 CarbonylContact C-O 3.55Å; F419-Y458 WeakPolarHBondContact CA-O 3.17Å; F419-Y458 HydrophobicContact CD1-CG 4.46Å; F419-Y458 HydrophobicContact CE1-CD1 4.49Å; F419-L482 HydrophobicContact CE1-CB 4.16Å; F419-L482 HydrophobicContact CE1-CD1 4.33Å; F419-L482 HydrophobicContact CZ-CB 4.03Å; F419-L482 HydrophobicContact CZ-CD1 4.02Å
420	Y	96.4	Very high	91.3	Very high	19 Å²	19	44.2 Å²	44.2	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	151.2	176.6	-67	-101.2	0	0	0	111.9	T355 I357 A404 N405 Y406 R418 N429 D457 Y458 V459 S460	T355-Y420 HydrophobicContact CG2-CD1 4.16Å; T355-Y420 HydrophobicContact CG2-CE1 3.8Å; I357-Y420 HydrophobicContact CD1-CD1 3.48Å; I357-Y420 VanDerWaalsContact CD1-CD1 3.48Å; I357-Y420 HydrophobicContact CD1-CD2 3.7Å; I357-Y420 HydrophobicContact CD1-CE1 3.78Å; I357-Y420 HydrophobicContact CD1-CE2 4Å; I357-Y420 HydrophobicContact CD1-CG 3.44Å; I357-Y420 VanDerWaalsContact CD1-CG 3.44Å; I357-Y420 HydrophobicContact CG1-CD1 4.37Å; I357-Y420 HydrophobicContact CG1-CE1 4.2Å; I357-Y420 HydrophobicContact CG1-CE2 4.49Å; I357-Y420 HydrophobicContact CG2-CE2 4.47Å; A404-Y420 HydrophobicContact CB-CD1 4.35Å; N405-Y420 CarbonylContact O-C 3.59Å; N405-Y420 VanDerWaalsContact O-CA 3.24Å; N405-Y420 WeakPolarHBondContact O-CA 3.18Å; Y406-Y420 AromaticContact CD1-CD1 3.86Å; Y406-Y420 HydrophobicContact CD1-CD1 3.86Å; Y406-Y420 AromaticContact CD1-CE1 3.3Å; Y406-Y420 HydrophobicContact CD1-CE1 3.3Å; Y406-Y420 HydrophobicContact CD1-CE2 4.49Å; Y406-Y420 AromaticContact CD1-CZ 3.67Å; Y406-Y420 HydrophobicContact CE1-CE1 4.06Å; Y406-Y420 HydrophobicContact CG-CD1 4.18Å; Y406-Y420 AromaticContact CG-CE1 3.88Å; Y406-Y420 HydrophobicContact CG-CE1 3.88Å; Y406-Y420 HydrophobicContact CG-CE2 4.36Å; Y406-Y420 AromaticContact CG-CZ 3.97Å; R418-Y420 HydrophobicContact CB-CD2 4.01Å; R418-Y420 HydrophobicContact CB-CE2 3.56Å; R418-Y420 WeakPolarHBondContact CD-OH 3.28Å; R418-Y420 HydrophobicContact CG-CE2 4.31Å; Y420-N429 PolarHBondContact O-ND2 3.31Å; Y420-D457 HydrophobicContact CD2-CB 4.26Å; Y420-D457 HydrophobicContact CE2-CB 3.96Å; Y420-Y458 PolarHBondContact N-O 3.48Å; Y420-V459 HydrophobicContact CD2-CG2 4.46Å; Y420-S460 PolarHBondContact O-N 2.89Å
421	G	92.2	Very high	90.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-176.5	170.2	0	0	0	0	0	110.8	A404 N405	A404-G421 VanDerWaalsContact CA-O 3.22Å; A404-G421 WeakPolarHBondContact CA-O 3.34Å; A404-G421 WeakPolarHBondContact CB-O 3.3Å; N405-G421 PolarHBondContact N-O 2.88Å; N405-G421 PolarHBondContact O-N 2.73Å
422	M	90.2	Very high	90.8	Very high	18 Å²	18	40.9 Å²	40.9	9%	0.089	25%	0.246	C	C	.	.			trans	-56.6	145.1	178.2	-66	-169.4	-79.8	0	0	111.5	Y309 C311 M402 S424 S425 Y426 P462 E479	Y309-M422 HydrophobicContact CD2-CG 4.37Å; Y309-M422 HydrophobicContact CD2-SD 3.56Å; Y309-M422 VanDerWaalsContact CD2-SD 3.56Å; Y309-M422 HydrophobicContact CE2-CG 3.98Å; Y309-M422 HydrophobicContact CE2-SD 3.69Å; C311-M422 HydrophobicContact CB-SD 4.38Å; M402-M422 HydrophobicContact CE-CG 4.32Å; M422-S424 PolarHBondContact O-N 3.41Å; M422-S425 PolarHBondContact O-N 2.83Å; M422-Y426 PolarHBondContact O-N 3.21Å; M422-P462 HydrophobicContact CE-CG 3.89Å; M422-P462 HydrophobicContact CG-CG 3.99Å; M422-P462 HydrophobicContact SD-CG 3.75Å; M422-E479 WeakPolarHBondContact CE-OE2 3.33Å
423	P	88.9	Confident	91.2	Very high	43 Å²	43	39.3 Å²	39.3	28%	0.279	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.1	-179.2	-29.5	36.9	0	0	0	114.8	E403 Y426	E403-P423 WeakPolarHBondContact O-CD 3.5Å; P423-Y426 WeakPolarHBondContact O-CD1 3.27Å; P423-Y426 WeakPolarHBondContact O-CE1 3.18Å
424	S	83.2	Confident	91.5	Very high	73 Å²	73	38.3 Å²	38.3	51%	0.51	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-35.9	174.5	49.1	0	0	0	0	114.3	M422	M422-S424 PolarHBondContact O-N 3.41Å
425	S	83.4	Confident	91.4	Very high	17 Å²	17	36.6 Å²	36.6	12%	0.119	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-18.3	-162.2	68.6	0	0	0	0	115.4	M422 K427 R428	M422-S425 PolarHBondContact O-N 2.83Å; S425-K427 PolarHBondContact O-N 3.4Å; S425-R428 WeakPolarHBondContact O-CB 3.4Å; S425-R428 WeakPolarHBondContact O-CG 3.39Å; S425-R428 PolarHBondContact O-N 2.84Å
426	Y	88	Confident	91.3	Very high	46 Å²	46	36.2 Å²	36.2	18%	0.18	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-51.9	-27.5	-170	76.9	-81.3	0	0	0	115.8	N405 Y406 V407 M422 P423 R428 N429	N405-Y426 HydrophobicContact CB-CD1 3.6Å; N405-Y426 HydrophobicContact CB-CD2 4.1Å; N405-Y426 HydrophobicContact CB-CE1 3.67Å; N405-Y426 HydrophobicContact CB-CE2 4.18Å; N405-Y426 HydrophobicContact CB-CG 3.82Å; N405-Y426 WeakPolarHBondContact O-CB 3.41Å; Y406-Y426 VanDerWaalsContact C-CD2 3.49Å; Y406-Y426 WeakPolarHBondContact O-CE2 3.46Å; V407-Y426 HydrophobicContact CG1-CD2 4.05Å; V407-Y426 HydrophobicContact CG1-CE2 4.09Å; M422-Y426 PolarHBondContact O-N 3.21Å; P423-Y426 WeakPolarHBondContact O-CD1 3.27Å; P423-Y426 WeakPolarHBondContact O-CE1 3.18Å; Y426-R428 PolarHBondContact O-N 3.26Å; Y426-N429 VanDerWaalsContact O-CB 3.28Å; Y426-N429 WeakPolarHBondContact O-CB 3.3Å; Y426-N429 PolarHBondContact O-N 2.88Å; Y426-N429 VanDerWaalsContact O-N 3.11Å
427	K	90.1	Very high	91.2	Very high	146 Å²	146	34.7 Å²	34.7	64%	0.635	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-63.3	-25.3	178.3	-66	-174.4	-179.8	179.5	0	113.3	S425 N429 T430	S425-K427 PolarHBondContact O-N 3.4Å; K427-N429 PolarHBondContact O-N 2.94Å; K427-T430 PolarHBondContact O-N 2.93Å; K427-T430 PolarHBondContact O-OG1 3.41Å
428	R	85.6	Confident	91	Very high	108 Å²	108	40.5 Å²	40.5	41%	0.408	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-57.3	-31.3	173.7	-65.2	-166.4	-65.3	164.4	-1.9	111.8	S425 Y426 T430 E479 E485	S425-R428 WeakPolarHBondContact O-CB 3.4Å; S425-R428 WeakPolarHBondContact O-CG 3.39Å; S425-R428 PolarHBondContact O-N 2.84Å; Y426-R428 PolarHBondContact O-N 3.26Å; R428-T430 PolarHBondContact O-N 3Å; R428-E479 IonicContact NH2-OE1 2.73Å; R428-E485 IonicContact NH1-OE1 3.19Å; R428-E485 PolarHBondContact NH1-OE1 3.11Å
429	N	89.3	Confident	90.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-72.5	-2.7	-174.1	-52.3	-2.3	0	0	0	113.5	V407 F419 Y420 Y426 K427 A431 A432 L433	V407-N429 HydrophobicContact CG2-CB 4.28Å; F419-N429 HydrophobicContact CB-CB 3.89Å; F419-N429 HydrophobicContact CD1-CB 3.82Å; F419-N429 HydrophobicContact CD2-CB 3.83Å; F419-N429 VanDerWaalsContact CD2-ND2 3.26Å; F419-N429 WeakPolarHBondContact CD2-ND2 3.44Å; F419-N429 HydrophobicContact CE1-CB 4.28Å; F419-N429 HydrophobicContact CE2-CB 4.28Å; F419-N429 WeakPolarHBondContact CE2-ND2 3.21Å; F419-N429 HydrophobicContact CG-CB 3.57Å; F419-N429 HydrophobicContact CZ-CB 4.49Å; Y420-N429 PolarHBondContact O-ND2 3.31Å; Y426-N429 VanDerWaalsContact O-CB 3.28Å; Y426-N429 WeakPolarHBondContact O-CB 3.3Å; Y426-N429 PolarHBondContact O-N 2.88Å; Y426-N429 VanDerWaalsContact O-N 3.11Å; K427-N429 PolarHBondContact O-N 2.94Å; N429-A431 PolarHBondContact O-N 2.9Å; N429-A432 PolarHBondContact O-N 2.81Å; N429-L433 WeakPolarHBondContact O-CB 3.16Å; N429-L433 PolarHBondContact O-N 3.48Å
430	T	91.4	Very high	90.6	Very high	45 Å²	45	38.2 Å²	38.2	28%	0.276	20%	0.2	S	C	.	.	H	α-helix	trans	-58	-49.7	-178.6	-53.6	0	0	0	0	112.4	K427 R428 A432 L433 D434	K427-T430 PolarHBondContact O-N 2.93Å; K427-T430 PolarHBondContact O-OG1 3.41Å; R428-T430 PolarHBondContact O-N 3Å; T430-A432 VanDerWaalsContact C-N 3.34Å; T430-A432 PolarHBondContact O-N 3.16Å; T430-L433 PolarHBondContact O-N 2.89Å; T430-D434 PolarHBondContact O-N 3.49Å
431	A	87.8	Confident	90.5	Very high	67 Å²	67	39.1 Å²	39.1	55%	0.554	21%	0.211	S	C	*	.	H	α-helix	trans	-65.9	-38.1	-179.3	0	0	0	0	0	112.1	N429 D434 I435	N429-A431 PolarHBondContact O-N 2.9Å; A431-D434 PolarHBondContact O-N 2.86Å; A431-I435 WeakPolarHBondContact O-CG1 3.46Å; A431-I435 PolarHBondContact O-N 3.15Å; A431-I435 VanDerWaalsContact O-N 3.11Å
432	A	90.3	Very high	90.5	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-44.3	174.2	0	0	0	0	0	111.8	F419 N429 T430 D434 I435 I436 L482	F419-A432 HydrophobicContact CD1-CB 4.03Å; F419-A432 HydrophobicContact CE1-CB 3.66Å; N429-A432 PolarHBondContact O-N 2.81Å; T430-A432 VanDerWaalsContact C-N 3.34Å; T430-A432 PolarHBondContact O-N 3.16Å; A432-D434 VanDerWaalsContact C-N 3.34Å; A432-D434 PolarHBondContact O-N 3.26Å; A432-I435 WeakPolarHBondContact O-CB 3.33Å; A432-I435 PolarHBondContact O-N 3.29Å; A432-I435 VanDerWaalsContact O-N 3.1Å; A432-I436 WeakPolarHBondContact O-CD1 3.46Å; A432-I436 VanDerWaalsContact O-CG1 3.3Å; A432-I436 WeakPolarHBondContact O-CG1 3.3Å; A432-I436 PolarHBondContact O-N 3.45Å; A432-L482 WeakPolarHBondContact CB-O 3.43Å
433	L	94.7	Very high	90.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-39.4	176.3	-173.4	58.1	0	0	0	112.2	V407 R409 F417 F419 N429 T430 I435 I436 V437	V407-L433 HydrophobicContact CB-CD2 4.28Å; V407-L433 HydrophobicContact CG2-CD2 3.87Å; V407-L433 WeakPolarHBondContact O-CD2 3.19Å; R409-L433 HydrophobicContact CB-CD2 4.3Å; R409-L433 HydrophobicContact CB-CG 4.29Å; R409-L433 HydrophobicContact CG-CD2 3.8Å; R409-L433 HydrophobicContact CG-CG 3.78Å; F417-L433 HydrophobicContact CB-CD1 3.69Å; F419-L433 HydrophobicContact CB-CB 4.25Å; F419-L433 HydrophobicContact CB-CD1 4.3Å; F419-L433 HydrophobicContact CB-CD2 4.33Å; F419-L433 HydrophobicContact CD1-CB 4.45Å; N429-L433 WeakPolarHBondContact O-CB 3.16Å; N429-L433 PolarHBondContact O-N 3.48Å; T430-L433 PolarHBondContact O-N 2.89Å; L433-I435 VanDerWaalsContact C-N 3.26Å; L433-I435 PolarHBondContact O-N 3.36Å; L433-I436 PolarHBondContact O-N 3.43Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 3.32Å; L433-V437 VanDerWaalsContact O-N 3.11Å
434	D	92.6	Very high	91	Very high	53 Å²	53	39.1 Å²	39.1	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-68.6	-20.4	174.6	-73.6	-43.3	0	0	0	113.6	R409 T430 A431 A432 K438	R409-D434 IonicContact CZ-OD1 2.66Å; R409-D434 IonicContact CZ-OD2 2.69Å; R409-D434 IonicContact NE-OD1 2.74Å; R409-D434 PolarHBondContact NE-OD1 2.92Å; R409-D434 IonicContact NE-OD2 2.73Å; R409-D434 VanDerWaalsContact NH2-CG 3.35Å; R409-D434 IonicContact NH2-OD1 3.91Å; R409-D434 PolarHBondContact NH2-OD1 3.24Å; R409-D434 IonicContact NH2-OD2 3.16Å; R409-D434 PolarHBondContact NH2-OD2 3.15Å; T430-D434 PolarHBondContact O-N 3.49Å; A431-D434 PolarHBondContact O-N 2.86Å; A432-D434 VanDerWaalsContact C-N 3.34Å; A432-D434 PolarHBondContact O-N 3.26Å; D434-K438 WeakPolarHBondContact O-CD 3.33Å; D434-K438 WeakPolarHBondContact O-CE 3.43Å; D434-K438 VanDerWaalsContact O-CG 3.31Å; D434-K438 WeakPolarHBondContact O-CG 3.45Å; D434-K438 PolarHBondContact O-NZ 2.93Å
435	I	90.2	Very high	91.5	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.062	22%	0.216	C	C	.	.	H	α-helix	trans	-83	-47.1	170.4	-66.2	161.9	0	0	0	110.3	A431 A432 L433 V437 K438 I439 I500	A431-I435 WeakPolarHBondContact O-CG1 3.46Å; A431-I435 PolarHBondContact O-N 3.15Å; A431-I435 VanDerWaalsContact O-N 3.11Å; A432-I435 WeakPolarHBondContact O-CB 3.33Å; A432-I435 PolarHBondContact O-N 3.29Å; A432-I435 VanDerWaalsContact O-N 3.1Å; L433-I435 VanDerWaalsContact C-N 3.26Å; L433-I435 PolarHBondContact O-N 3.36Å; I435-V437 VanDerWaalsContact C-N 3.33Å; I435-V437 PolarHBondContact O-N 3.3Å; I435-K438 WeakPolarHBondContact O-CB 3.27Å; I435-K438 PolarHBondContact O-N 2.88Å; I435-K438 VanDerWaalsContact O-N 3.09Å; I435-I439 HydrophobicContact CG2-CD1 3.57Å; I435-I439 HydrophobicContact CG2-CG1 4.16Å; I435-I439 PolarHBondContact O-N 2.86Å; I435-I500 HydrophobicContact CB-CD1 4.03Å; I435-I500 HydrophobicContact CG2-CD1 3.64Å
436	I	94.2	Very high	92	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-50.1	-49.6	177.3	-76.9	159.6	0	0	0	111.7	F417 F419 A432 L433 K438 I439 Y440 Y458 I500	F417-I436 HydrophobicContact CD1-CG2 3.62Å; F417-I436 HydrophobicContact CE1-CG2 3.85Å; F419-I436 HydrophobicContact CD1-CD1 3.74Å; F419-I436 HydrophobicContact CE1-CD1 3.74Å; A432-I436 WeakPolarHBondContact O-CD1 3.46Å; A432-I436 VanDerWaalsContact O-CG1 3.3Å; A432-I436 WeakPolarHBondContact O-CG1 3.3Å; A432-I436 PolarHBondContact O-N 3.45Å; L433-I436 PolarHBondContact O-N 3.43Å; I436-K438 VanDerWaalsContact C-N 3.31Å; I436-K438 PolarHBondContact O-N 3.41Å; I436-I439 PolarHBondContact O-N 3.43Å; I436-Y440 WeakPolarHBondContact O-CB 3.44Å; I436-Y440 PolarHBondContact O-N 2.99Å; I436-Y458 HydrophobicContact CB-CE2 4.35Å; I436-Y458 HydrophobicContact CD1-CD1 3.78Å; I436-Y458 HydrophobicContact CD1-CD2 3.83Å; I436-Y458 HydrophobicContact CD1-CE1 3.7Å; I436-Y458 HydrophobicContact CD1-CE2 3.77Å; I436-Y458 HydrophobicContact CD1-CG 3.82Å; I436-Y458 HydrophobicContact CG1-CE1 4.14Å; I436-Y458 HydrophobicContact CG1-CE2 4.06Å; I436-Y458 HydrophobicContact CG2-CD2 4.12Å; I436-Y458 HydrophobicContact CG2-CE2 3.36Å; I436-I500 HydrophobicContact CB-CG2 4.35Å; I436-I500 HydrophobicContact CG1-CD1 4.04Å; I436-I500 HydrophobicContact CG1-CG1 4.08Å; I436-I500 HydrophobicContact CG1-CG2 3.63Å
437	V	95.4	Very high	92.4	Very high	23 Å²	23	40 Å²	40	14%	0.139	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-36.7	-178.4	174.2	0	0	0	0	112.1	R409 F417 L433 I435 A441	R409-V437 HydrophobicContact CB-CG2 3.88Å; R409-V437 HydrophobicContact CG-CG2 4.37Å; F417-V437 HydrophobicContact CB-CG2 4Å; F417-V437 HydrophobicContact CD1-CG2 3.9Å; F417-V437 HydrophobicContact CD2-CG2 3.83Å; F417-V437 HydrophobicContact CE1-CG2 4.18Å; F417-V437 HydrophobicContact CE2-CG2 4.16Å; F417-V437 HydrophobicContact CG-CG2 3.67Å; F417-V437 HydrophobicContact CZ-CG2 4.28Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 3.32Å; L433-V437 VanDerWaalsContact O-N 3.11Å; I435-V437 VanDerWaalsContact C-N 3.33Å; I435-V437 PolarHBondContact O-N 3.3Å; V437-A441 PolarHBondContact O-N 3.37Å
438	K	92.2	Very high	92.6	Very high	121 Å²	121	35 Å²	35	53%	0.526	19%	0.191	S	C	.	.	H	α-helix	trans	-70.4	-47.7	178.2	-65.1	166.5	-169.9	159	0	111.5	D434 I435 I436 Y440 A441 V442	D434-K438 WeakPolarHBondContact O-CD 3.33Å; D434-K438 WeakPolarHBondContact O-CE 3.43Å; D434-K438 VanDerWaalsContact O-CG 3.31Å; D434-K438 WeakPolarHBondContact O-CG 3.45Å; D434-K438 PolarHBondContact O-NZ 2.93Å; I435-K438 WeakPolarHBondContact O-CB 3.27Å; I435-K438 PolarHBondContact O-N 2.88Å; I435-K438 VanDerWaalsContact O-N 3.09Å; I436-K438 VanDerWaalsContact C-N 3.31Å; I436-K438 PolarHBondContact O-N 3.41Å; K438-Y440 PolarHBondContact O-N 3.32Å; K438-A441 WeakPolarHBondContact O-CB 3.45Å; K438-A441 PolarHBondContact O-N 2.9Å; K438-V442 PolarHBondContact O-N 3.5Å
439	I	92.2	Very high	93.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-67	-37.9	-178.4	-64.6	-179.5	0	0	0	110.7	I435 I436 A441 V442 L443 H497 I500 A501 L504	I435-I439 HydrophobicContact CG2-CD1 3.57Å; I435-I439 HydrophobicContact CG2-CG1 4.16Å; I435-I439 PolarHBondContact O-N 2.86Å; I436-I439 PolarHBondContact O-N 3.43Å; I439-A441 VanDerWaalsContact C-N 3.34Å; I439-A441 PolarHBondContact O-N 3.02Å; I439-V442 PolarHBondContact O-N 2.97Å; I439-L443 HydrophobicContact CG2-CD1 3.94Å; I439-L443 PolarHBondContact O-N 3.38Å; I439-H497 HydrophobicContact CD1-CB 4.31Å; I439-I500 HydrophobicContact CB-CG2 4.32Å; I439-I500 HydrophobicContact CD1-CB 4.21Å; I439-I500 HydrophobicContact CD1-CG2 3.84Å; I439-I500 HydrophobicContact CG2-CG2 4.5Å; I439-A501 HydrophobicContact CD1-CB 4.46Å; I439-A501 HydrophobicContact CG2-CB 3.84Å; I439-L504 HydrophobicContact CB-CD1 3.95Å; I439-L504 HydrophobicContact CG2-CD1 3.78Å
440	Y	94.7	Very high	93.3	Very high	4 Å²	4	39 Å²	39	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-43.9	173.2	-180	-80.8	0	0	0	111.7	P412 M415 F417 I436 K438 V442 L443 E444 L456 L504 L507 W508	P412-Y440 HydrophobicContact CG-CD1 4.17Å; M415-Y440 HydrophobicContact CE-CD1 4.13Å; M415-Y440 HydrophobicContact CE-CD2 3.92Å; M415-Y440 HydrophobicContact CE-CE1 3.83Å; M415-Y440 HydrophobicContact CE-CE2 3.6Å; M415-Y440 HydrophobicContact CE-CG 4.19Å; F417-Y440 HydrophobicContact CE1-CD2 4.27Å; F417-Y440 AromaticContact CE1-CG 3.95Å; F417-Y440 HydrophobicContact CE1-CG 3.95Å; F417-Y440 AromaticContact CZ-CD1 3.74Å; F417-Y440 HydrophobicContact CZ-CD1 3.74Å; F417-Y440 HydrophobicContact CZ-CD2 4.2Å; F417-Y440 HydrophobicContact CZ-CE1 4.45Å; F417-Y440 AromaticContact CZ-CG 3.62Å; F417-Y440 HydrophobicContact CZ-CG 3.62Å; I436-Y440 WeakPolarHBondContact O-CB 3.44Å; I436-Y440 PolarHBondContact O-N 2.99Å; K438-Y440 PolarHBondContact O-N 3.32Å; Y440-V442 VanDerWaalsContact C-N 3.31Å; Y440-V442 PolarHBondContact O-N 3.28Å; Y440-L443 PolarHBondContact O-N 3.42Å; Y440-E444 PolarHBondContact O-N 3.29Å; Y440-L456 HydrophobicContact CD2-CD2 4.28Å; Y440-L504 HydrophobicContact CD2-CD2 4.09Å; Y440-L507 HydrophobicContact CE2-CD1 4.42Å; Y440-W508 AromaticContact CD2-CH2 3.73Å; Y440-W508 HydrophobicContact CD2-CH2 3.73Å; Y440-W508 HydrophobicContact CD2-CZ3 4.18Å; Y440-W508 HydrophobicContact CE1-CH2 4.41Å; Y440-W508 AromaticContact CE2-CH2 3.52Å; Y440-W508 HydrophobicContact CE2-CH2 3.52Å; Y440-W508 HydrophobicContact CE2-CZ2 4.27Å; Y440-W508 HydrophobicContact CE2-CZ3 4.15Å; Y440-W508 HydrophobicContact CG-CH2 4.25Å; Y440-W508 AromaticContact CZ-CH2 3.88Å
441	A	93.8	Very high	93.3	Very high	37 Å²	37	37.1 Å²	37.1	31%	0.306	20%	0.195	S	C	.	.	H	α-helix	trans	-61.4	-38.7	178.9	0	0	0	0	0	112.6	P412 V437 K438 I439 E444 E445	P412-A441 HydrophobicContact CG-CB 3.61Å; V437-A441 PolarHBondContact O-N 3.37Å; K438-A441 WeakPolarHBondContact O-CB 3.45Å; K438-A441 PolarHBondContact O-N 2.9Å; I439-A441 VanDerWaalsContact C-N 3.34Å; I439-A441 PolarHBondContact O-N 3.02Å; A441-E444 PolarHBondContact O-N 2.91Å; A441-E445 PolarHBondContact O-N 3.49Å; A441-E445 VanDerWaalsContact O-N 3.12Å
442	V	92.8	Very high	93.3	Very high	35 Å²	35	37 Å²	37	21%	0.212	20%	0.2	C	C	.	.	H	α-helix	trans	-78.3	-27.4	178.3	168	0	0	0	0	112.9	K438 I439 Y440 E445 Y446 L535 H539	K438-V442 PolarHBondContact O-N 3.5Å; I439-V442 PolarHBondContact O-N 2.97Å; Y440-V442 VanDerWaalsContact C-N 3.31Å; Y440-V442 PolarHBondContact O-N 3.28Å; V442-E445 PolarHBondContact O-N 2.95Å; V442-Y446 VanDerWaalsContact O-CB 3.24Å; V442-Y446 WeakPolarHBondContact O-CB 3.41Å; V442-Y446 PolarHBondContact O-N 2.63Å; V442-L535 HydrophobicContact CG1-CD2 4.11Å; V442-H539 WeakPolarHBondContact CB-NE2 3.33Å; V442-H539 VanDerWaalsContact CG2-NE2 3.34Å; V442-H539 WeakPolarHBondContact CG2-NE2 3.4Å
443	L	94.3	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-40.3	167.3	-78.8	160.7	0	0	0	112.1	I439 Y440 E445 Y446 F447 L504 T505 W508 V531 L535	I439-L443 HydrophobicContact CG2-CD1 3.94Å; I439-L443 PolarHBondContact O-N 3.38Å; Y440-L443 PolarHBondContact O-N 3.42Å; L443-E445 VanDerWaalsContact C-N 3.31Å; L443-E445 PolarHBondContact O-N 3.27Å; L443-Y446 PolarHBondContact O-N 3.05Å; L443-F447 HydrophobicContact CD2-CD2 4.16Å; L443-F447 HydrophobicContact CD2-CE2 3.66Å; L443-F447 WeakPolarHBondContact O-CD2 3.33Å; L443-F447 PolarHBondContact O-N 3.06Å; L443-L504 HydrophobicContact CD1-CB 3.3Å; L443-L504 HydrophobicContact CD1-CD1 4.32Å; L443-L504 HydrophobicContact CD1-CG 4.43Å; L443-T505 WeakPolarHBondContact CD2-OG1 3.45Å; L443-W508 HydrophobicContact CB-CE3 4.07Å; L443-W508 HydrophobicContact CB-CH2 3.58Å; L443-W508 HydrophobicContact CB-CZ2 4.23Å; L443-W508 HydrophobicContact CB-CZ3 3.48Å; L443-W508 VanDerWaalsContact CB-CZ3 3.48Å; L443-W508 HydrophobicContact CD1-CZ3 4.02Å; L443-W508 HydrophobicContact CG-CZ3 4.28Å; L443-V531 HydrophobicContact CD2-CG1 4.44Å; L443-L535 HydrophobicContact CD2-CD1 3.34Å; L443-L535 HydrophobicContact CG-CD1 3.93Å
444	E	94.2	Very high	93.2	Very high	26 Å²	26	43 Å²	43	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-41.2	172.8	-174.7	179.4	117.8	0	0	111.4	Y440 A441 A448 Y449 R450 W508	Y440-E444 PolarHBondContact O-N 3.29Å; A441-E444 PolarHBondContact O-N 2.91Å; E444-A448 CarbonylContact O-C 3.59Å; E444-A448 WeakPolarHBondContact O-CA 3.47Å; E444-A448 PolarHBondContact O-N 3.45Å; E444-Y449 PolarHBondContact O-N 2.88Å; E444-R450 HydrophobicContact CG-CG 3.93Å; E444-R450 IonicContact OE1-CZ 3.82Å; E444-R450 IonicContact OE1-NE 3.36Å; E444-R450 PolarHBondContact OE1-NE 2.66Å; E444-R450 IonicContact OE1-NH2 2.77Å; E444-R450 PolarHBondContact OE1-NH2 3.47Å; E444-R450 IonicContact OE2-NE 3.72Å; E444-W508 HydrophobicContact CB-CZ2 4.08Å
445	E	94.1	Very high	93.4	Very high	140 Å²	140	40.8 Å²	40.8	65%	0.654	22%	0.215	S	C	*	.	H	α-helix	trans	-71.1	-44.9	173.8	-172.7	180	171.9	0	0	112.8	A441 V442 L443 F447 A448 R610	A441-E445 PolarHBondContact O-N 3.49Å; A441-E445 VanDerWaalsContact O-N 3.12Å; V442-E445 PolarHBondContact O-N 2.95Å; L443-E445 VanDerWaalsContact C-N 3.31Å; L443-E445 PolarHBondContact O-N 3.27Å; E445-F447 PolarHBondContact O-N 3.36Å; E445-A448 PolarHBondContact O-N 3.01Å; E445-R610 PolarHBondContact O-NH2 3.41Å
446	Y	95	Very high	93.8	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.059	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-47.3	-177.5	179.6	-100.4	0	0	0	111.5	V442 L443 A448 V531 L535 R606 L609 R610	V442-Y446 VanDerWaalsContact O-CB 3.24Å; V442-Y446 WeakPolarHBondContact O-CB 3.41Å; V442-Y446 PolarHBondContact O-N 2.63Å; L443-Y446 PolarHBondContact O-N 3.05Å; Y446-A448 VanDerWaalsContact C-N 3.3Å; Y446-V531 HydrophobicContact CD1-CG1 3.93Å; Y446-V531 HydrophobicContact CE1-CG1 3.55Å; Y446-V531 HydrophobicContact CE1-CG2 4.18Å; Y446-L535 HydrophobicContact CD1-CD1 4Å; Y446-L535 HydrophobicContact CD2-CD1 4.5Å; Y446-L535 HydrophobicContact CD2-CD2 3.68Å; Y446-L535 HydrophobicContact CE2-CD2 4.29Å; Y446-L535 HydrophobicContact CG-CD1 3.9Å; Y446-L535 HydrophobicContact CG-CD2 3.85Å; Y446-L535 HydrophobicContact CG-CG 4.4Å; Y446-R606 HydrophobicContact CD2-CG 4.09Å; Y446-R606 HydrophobicContact CE2-CB 4.14Å; Y446-R606 HydrophobicContact CE2-CG 3.74Å; Y446-L609 HydrophobicContact CE1-CD1 4.31Å; Y446-R610 WeakPolarHBondContact O-CG 3.26Å; Y446-R610 PolarHBondContact O-NE 3.31Å; Y446-R610 PolarHBondContact O-NH2 3.22Å
447	F	95.1	Very high	93.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-81.4	-8.4	173.3	-64.6	-54.5	0	0	0	113.8	L443 E445 Y449 T505 W508 L509 V531 L609 R610 I613	L443-F447 HydrophobicContact CD2-CD2 4.16Å; L443-F447 HydrophobicContact CD2-CE2 3.66Å; L443-F447 WeakPolarHBondContact O-CD2 3.33Å; L443-F447 PolarHBondContact O-N 3.06Å; E445-F447 PolarHBondContact O-N 3.36Å; F447-Y449 PolarHBondContact O-N 2.73Å; F447-T505 HydrophobicContact CE2-CG2 4.14Å; F447-T505 HydrophobicContact CZ-CG2 3.96Å; F447-W508 HydrophobicContact CB-CG 4.35Å; F447-W508 HydrophobicContact CD2-CB 3.69Å; F447-W508 AromaticContact CD2-CD1 3.69Å; F447-W508 AromaticContact CD2-CD2 3.6Å; F447-W508 HydrophobicContact CD2-CD2 3.6Å; F447-W508 HydrophobicContact CD2-CE3 4.16Å; F447-W508 AromaticContact CD2-CG 3.38Å; F447-W508 HydrophobicContact CD2-CG 3.38Å; F447-W508 HydrophobicContact CE2-CB 3.68Å; F447-W508 HydrophobicContact CE2-CD2 4.08Å; F447-W508 HydrophobicContact CE2-CE3 4.29Å; F447-W508 AromaticContact CE2-CG 3.85Å; F447-W508 HydrophobicContact CE2-CG 3.85Å; F447-W508 HydrophobicContact CG-CB 4.36Å; F447-W508 AromaticContact CG-CD1 4Å; F447-W508 HydrophobicContact CG-CG 4.08Å; F447-W508 HydrophobicContact CZ-CB 4.37Å; F447-L509 HydrophobicContact CE1-CD1 4.09Å; F447-L509 HydrophobicContact CE1-CG 4.33Å; F447-L509 HydrophobicContact CZ-CD1 3.78Å; F447-L509 HydrophobicContact CZ-CG 3.99Å; F447-V531 HydrophobicContact CE1-CG1 4.45Å; F447-V531 HydrophobicContact CE2-CG1 4.49Å; F447-V531 HydrophobicContact CZ-CG1 3.86Å; F447-L609 HydrophobicContact CE1-CB 4.38Å; F447-L609 HydrophobicContact CE1-CD1 4.34Å; F447-R610 WeakPolarHBondContact O-CG 3.41Å; F447-I613 HydrophobicContact CB-CD1 3.92Å; F447-I613 HydrophobicContact CD1-CD1 3.18Å; F447-I613 HydrophobicContact CD2-CD1 4.27Å; F447-I613 HydrophobicContact CE1-CD1 3.61Å; F447-I613 HydrophobicContact CG-CD1 3.55Å; F447-I613 HydrophobicContact CZ-CD1 4.28Å
448	A	95.4	Very high	94	Very high	42 Å²	42	39.5 Å²	39.5	35%	0.347	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	24.8	-176	0	0	0	0	0	113.6	E444 E445 Y446 R610 Y614	E444-A448 CarbonylContact O-C 3.59Å; E444-A448 WeakPolarHBondContact O-CA 3.47Å; E444-A448 PolarHBondContact O-N 3.45Å; E445-A448 PolarHBondContact O-N 3.01Å; Y446-A448 VanDerWaalsContact C-N 3.3Å; A448-R610 HydrophobicContact CB-CG 4.38Å; A448-Y614 WeakPolarHBondContact O-CE2 3.03Å; A448-Y614 PolarHBondContact O-OH 3.05Å
449	Y	95	Very high	94.2	Very high	33 Å²	33	33.8 Å²	33.8	13%	0.129	18%	0.183	C	C	.	.			trans	-132.2	126	-167.7	-177.3	-86.7	0	0	0	111.3	E444 F447 W508 V512 I613 Y614 A617	E444-Y449 PolarHBondContact O-N 2.88Å; F447-Y449 PolarHBondContact O-N 2.73Å; Y449-W508 AromaticContact CD1-CD1 3.92Å; Y449-W508 AromaticContact CD1-NE1 3.93Å; Y449-W508 PolarHBondContact O-NE1 2.94Å; Y449-V512 HydrophobicContact CE1-CG1 4.07Å; Y449-I613 HydrophobicContact CD1-CG2 3.79Å; Y449-I613 HydrophobicContact CD2-CG2 3.93Å; Y449-I613 HydrophobicContact CE1-CG2 4.37Å; Y449-I613 HydrophobicContact CE2-CG2 4.48Å; Y449-I613 HydrophobicContact CG-CG2 3.57Å; Y449-Y614 AromaticContact CD2-CD1 3.9Å; Y449-Y614 HydrophobicContact CD2-CD1 3.9Å; Y449-Y614 HydrophobicContact CD2-CD2 4.23Å; Y449-Y614 AromaticContact CD2-CE1 3.98Å; Y449-Y614 HydrophobicContact CD2-CE1 3.98Å; Y449-Y614 HydrophobicContact CD2-CE2 4.3Å; Y449-Y614 HydrophobicContact CD2-CG 4.05Å; Y449-Y614 HydrophobicContact CE2-CD1 4.23Å; Y449-Y614 HydrophobicContact CE2-CE1 4.46Å; Y449-A617 HydrophobicContact CE2-CB 4.16Å; Y449-A617 WeakPolarHBondContact OH-CB 3.5Å
450	R	93.6	Very high	94.2	Very high	161 Å²	161	34 Å²	34	61%	0.608	19%	0.185	S	C	*	.			trans	-90	121.7	176.1	-76.5	-173.7	165.2	165.4	3.6	111.3	E444 G452	E444-R450 HydrophobicContact CG-CG 3.93Å; E444-R450 IonicContact OE1-CZ 3.82Å; E444-R450 IonicContact OE1-NE 3.36Å; E444-R450 PolarHBondContact OE1-NE 2.66Å; E444-R450 IonicContact OE1-NH2 2.77Å; E444-R450 PolarHBondContact OE1-NH2 3.47Å; E444-R450 IonicContact OE2-NE 3.72Å; R450-G452 VanDerWaalsContact C-N 3.32Å
451	I	91.1	Very high	94	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	18%	0.184	C	C	.	.			trans	-67.6	-32.9	175.5	-53.5	-172.6	0	0	0	111.5	L453 Y472 L507 W508 V512 Y618	I451-L453 HydrophobicContact CG2-CD1 4.12Å; I451-L453 HydrophobicContact CG2-CG 3.93Å; I451-Y472 HydrophobicContact CG2-CE2 3.59Å; I451-L507 HydrophobicContact CD1-CB 3.58Å; I451-W508 HydrophobicContact CD1-CD2 3.73Å; I451-W508 HydrophobicContact CD1-CE3 3.96Å; I451-W508 HydrophobicContact CD1-CG 4.21Å; I451-W508 HydrophobicContact CD1-CH2 4.21Å; I451-W508 HydrophobicContact CD1-CZ2 4Å; I451-W508 HydrophobicContact CD1-CZ3 4.18Å; I451-W508 HydrophobicContact CG1-CD2 4.18Å; I451-W508 HydrophobicContact CG1-CG 4.48Å; I451-W508 HydrophobicContact CG1-CZ2 4.02Å; I451-V512 HydrophobicContact CB-CG2 4.41Å; I451-V512 HydrophobicContact CD1-CG2 4.2Å; I451-V512 HydrophobicContact CG1-CG2 4.06Å; I451-V512 HydrophobicContact CG2-CG2 3.78Å; I451-Y618 PolarHBondContact O-OH 3.24Å
452	G	88.4	Confident	93.5	Very high	65 Å²	65	32.2 Å²	32.2	67%	0.67	17%	0.171	S	C	*	.			trans	75.5	26.9	-177.9	0	0	0	0	0	113.9	R450	R450-G452 VanDerWaalsContact C-N 3.32Å
453	L	91.3	Very high	92.7	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	18%	0.181	C	C	.	.			trans	-65.8	133.8	166.7	-81.4	166.7	0	0	0	110.2	M415 I451 K455 Y472	M415-L453 WeakPolarHBondContact CG-O 3.45Å; M415-L453 HydrophobicContact SD-CB 3.38Å; M415-L453 WeakPolarHBondContact SD-CB 3.46Å; M415-L453 HydrophobicContact SD-CD1 4.41Å; M415-L453 VanDerWaalsContact SD-O 3.39Å; I451-L453 HydrophobicContact CG2-CD1 4.12Å; I451-L453 HydrophobicContact CG2-CG 3.93Å; L453-K455 VanDerWaalsContact C-N 3.32Å; L453-Y472 HydrophobicContact CD2-CD1 3.78Å; L453-Y472 HydrophobicContact CD2-CE1 3.34Å; L453-Y472 HydrophobicContact CD2-CE2 4.19Å; L453-Y472 HydrophobicContact CD2-CG 4.36Å; L453-Y472 HydrophobicContact CG-CE1 4.25Å; L453-Y472 HydrophobicContact CG-CE2 4.35Å
454	E	92.6	Very high	92	Very high	116 Å²	116	35 Å²	35	54%	0.542	18%	0.184	S	C	.	.	S	Bend	trans	-72	-31.2	169.1	-64.4	178.6	173.1	0	0	111.5	T361 I416	T361-E454 WeakPolarHBondContact CB-OE2 3.41Å; T361-E454 HydrophobicContact CG2-CB 4.01Å; T361-E454 WeakPolarHBondContact CG2-OE2 3.39Å; T361-E454 PolarHBondContact OG1-OE2 3.34Å; I416-E454 PolarHBondContact N-O 3.3Å; I416-E454 VanDerWaalsContact N-O 3.07Å
455	K	96.4	Very high	90.9	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.1	-178.4	67.1	91.7	-173.7	177.8	0	112.6	S358 N359 M360 T361 I416 L453 D457 G473	S358-K455 PolarHBondContact O-NZ 2.91Å; N359-K455 WeakPolarHBondContact O-CE 3.38Å; N359-K455 PolarHBondContact O-NZ 2.84Å; M360-K455 VanDerWaalsContact C-CE 3.44Å; M360-K455 WeakPolarHBondContact O-CE 3.23Å; T361-K455 HydrophobicContact CG2-CB 4.49Å; T361-K455 HydrophobicContact CG2-CG 3.8Å; I416-K455 HydrophobicContact CB-CB 4.21Å; I416-K455 CarbonylContact O-C 2.97Å; I416-K455 WeakPolarHBondContact O-CA 3.33Å; I416-K455 WeakPolarHBondContact O-CB 3.48Å; L453-K455 VanDerWaalsContact C-N 3.32Å; K455-D457 VanDerWaalsContact CD-OD2 3.31Å; K455-D457 WeakPolarHBondContact CD-OD2 3.24Å; K455-D457 WeakPolarHBondContact CE-OD2 3.22Å; K455-D457 IonicContact NZ-OD2 3.32Å; K455-D457 PolarHBondContact NZ-OD2 2.82Å; K455-G473 PolarHBondContact NZ-O 3.13Å
456	L	97.4	Very high	89.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	111.8	167.4	178.4	59.5	0	0	0	109.5	M415 I416 F417 R418 Y440 Y458 I475 L504 L507	M415-L456 HydrophobicContact CE-CB 3.84Å; M415-L456 HydrophobicContact CE-CD2 4.41Å; M415-L456 HydrophobicContact SD-CB 4.34Å; I416-L456 PolarHBondContact O-N 2.94Å; F417-L456 WeakPolarHBondContact CA-O 3.45Å; F417-L456 HydrophobicContact CD1-CB 4.22Å; F417-L456 HydrophobicContact CD1-CD2 4.24Å; F417-L456 HydrophobicContact CE1-CD2 4.03Å; R418-L456 PolarHBondContact N-O 3Å; Y440-L456 HydrophobicContact CD2-CD2 4.28Å; L456-Y458 HydrophobicContact CD2-CE2 3.81Å; L456-Y458 HydrophobicContact CG-CD2 4.34Å; L456-Y458 HydrophobicContact CG-CE2 3.84Å; L456-I475 HydrophobicContact CD1-CD1 4.3Å; L456-L504 HydrophobicContact CD2-CD2 3.6Å; L456-L507 HydrophobicContact CD1-CD1 4.29Å; L456-L507 HydrophobicContact CD2-CD1 3.86Å
457	D	97.8	Very high	89.1	Confident	8 Å²	8	32.6 Å²	32.6	4%	0.043	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138	178.3	-62.5	-32.7	0	0	0	110.7	I357 R418 Y420 K455 G473 L474 I475	I357-D457 HydrophobicContact CG2-CB 3.89Å; I357-D457 WeakPolarHBondContact CG2-OD2 3.44Å; R418-D457 WeakPolarHBondContact CB-OD1 3.14Å; R418-D457 CarbonylContact O-C 3.52Å; Y420-D457 HydrophobicContact CD2-CB 4.26Å; Y420-D457 HydrophobicContact CE2-CB 3.96Å; K455-D457 VanDerWaalsContact CD-OD2 3.31Å; K455-D457 WeakPolarHBondContact CD-OD2 3.24Å; K455-D457 WeakPolarHBondContact CE-OD2 3.22Å; K455-D457 IonicContact NZ-OD2 3.32Å; K455-D457 PolarHBondContact NZ-OD2 2.82Å; D457-G473 PolarHBondContact N-O 3.18Å; D457-L474 HydrophobicContact CB-CD1 4.19Å; D457-L474 CarbonylContact O-C 3.58Å; D457-L474 VanDerWaalsContact O-CA 3.28Å; D457-L474 WeakPolarHBondContact O-CA 3.3Å; D457-I475 PolarHBondContact O-N 2.95Å
458	Y	97.2	Very high	88.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.8	167.6	-78.5	-102.8	0	0	0	109.5	R418 F419 Y420 I436 L456 I475 L482 L504	R418-Y458 PolarHBondContact O-N 3.48Å; F419-Y458 CarbonylContact C-O 3.55Å; F419-Y458 WeakPolarHBondContact CA-O 3.17Å; F419-Y458 HydrophobicContact CD1-CG 4.46Å; F419-Y458 HydrophobicContact CE1-CD1 4.49Å; Y420-Y458 PolarHBondContact N-O 3.48Å; I436-Y458 HydrophobicContact CB-CE2 4.35Å; I436-Y458 HydrophobicContact CD1-CD1 3.78Å; I436-Y458 HydrophobicContact CD1-CD2 3.83Å; I436-Y458 HydrophobicContact CD1-CE1 3.7Å; I436-Y458 HydrophobicContact CD1-CE2 3.77Å; I436-Y458 HydrophobicContact CD1-CG 3.82Å; I436-Y458 HydrophobicContact CG1-CE1 4.14Å; I436-Y458 HydrophobicContact CG1-CE2 4.06Å; I436-Y458 HydrophobicContact CG2-CD2 4.12Å; I436-Y458 HydrophobicContact CG2-CE2 3.36Å; L456-Y458 HydrophobicContact CD2-CE2 3.81Å; L456-Y458 HydrophobicContact CG-CD2 4.34Å; L456-Y458 HydrophobicContact CG-CE2 3.84Å; Y458-I475 CarbonylContact C-O 3.51Å; Y458-I475 VanDerWaalsContact CA-O 3.31Å; Y458-I475 WeakPolarHBondContact CA-O 3.46Å; Y458-I475 HydrophobicContact CD1-CB 3.82Å; Y458-I475 HydrophobicContact CD1-CG2 3.81Å; Y458-I475 HydrophobicContact CE1-CB 3.8Å; Y458-I475 HydrophobicContact CE1-CD1 3.7Å; Y458-I475 HydrophobicContact CE1-CG1 4.35Å; Y458-I475 HydrophobicContact CE1-CG2 3.71Å; Y458-I475 HydrophobicContact CE2-CD1 4.15Å; Y458-I475 HydrophobicContact CG-CB 4.36Å; Y458-I475 VanDerWaalsContact CZ-CD1 3.49Å; Y458-I475 WeakPolarHBondContact OH-CD1 3.25Å; Y458-L482 HydrophobicContact CD1-CD1 3.49Å; Y458-L482 VanDerWaalsContact CD1-CD1 3.49Å; Y458-L482 HydrophobicContact CE1-CD1 3.68Å; Y458-L504 WeakPolarHBondContact OH-CD2 3.31Å; Y458-L504 VanDerWaalsContact OH-CG 3.22Å; Y458-L504 WeakPolarHBondContact OH-CG 3.35Å
459	V	95.9	Very high	88.3	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.8	177.3	-165.5	0	0	0	0	110.4	I357 I400 M402 Y420 V461 L474 I475 L476 A477	I357-V459 HydrophobicContact CD1-CG1 4.43Å; I357-V459 HydrophobicContact CD1-CG2 3.61Å; I400-V459 HydrophobicContact CD1-CG1 4.12Å; I400-V459 HydrophobicContact CG2-CG2 4.02Å; M402-V459 HydrophobicContact SD-CG1 3.97Å; Y420-V459 HydrophobicContact CD2-CG2 4.46Å; V459-V461 HydrophobicContact CB-CG2 4.33Å; V459-V461 HydrophobicContact CG1-CG2 4.1Å; V459-L474 HydrophobicContact CG2-CD1 3.71Å; V459-I475 PolarHBondContact N-O 3.47Å; V459-L476 HydrophobicContact CB-CD2 3.83Å; V459-L476 HydrophobicContact CG2-CD2 3.92Å; V459-A477 PolarHBondContact O-N 3.36Å
460	S	92.5	Very high	88.1	Confident	6 Å²	6	31 Å²	31	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.7	170	-164.8	0	0	0	0	108.6	Y420	Y420-S460 PolarHBondContact O-N 2.89Å
461	V	90.2	Very high	88.1	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.8	-173.8	-173.6	0	0	0	0	109.1	I307 V320 I400 V459 F464 L476 A477 C478 E479	I307-V461 HydrophobicContact CD1-CG1 3.77Å; V320-V461 HydrophobicContact CG2-CG1 4.34Å; I400-V461 HydrophobicContact CD1-CG1 4.3Å; I400-V461 HydrophobicContact CD1-CG2 3.54Å; V459-V461 HydrophobicContact CB-CG2 4.33Å; V459-V461 HydrophobicContact CG1-CG2 4.1Å; V461-F464 HydrophobicContact CB-CB 3.91Å; V461-F464 HydrophobicContact CB-CD2 4.34Å; V461-F464 HydrophobicContact CB-CG 4.05Å; V461-F464 HydrophobicContact CG1-CB 3.93Å; V461-F464 HydrophobicContact CG1-CD2 3.95Å; V461-F464 HydrophobicContact CG1-CG 4.08Å; V461-L476 HydrophobicContact CG2-CB 4.29Å; V461-L476 HydrophobicContact CG2-CD2 4.4Å; V461-A477 PolarHBondContact N-O 3.08Å; V461-C478 WeakPolarHBondContact O-CA 3.35Å; V461-E479 PolarHBondContact O-N 3.44Å
462	P	83.2	Confident	88.3	Confident	5 Å²	5	23.3 Å²	23.3	3%	0.032	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	151	171.7	-21.1	33.6	0	0	0	111.6	I307 Y309 M422 F464	I307-P462 WeakPolarHBondContact CG2-O 3.31Å; Y309-P462 HydrophobicContact CD2-CB 4.47Å; Y309-P462 HydrophobicContact CD2-CG 3.96Å; Y309-P462 HydrophobicContact CG-CB 4.2Å; Y309-P462 HydrophobicContact CG-CG 4.06Å; M422-P462 HydrophobicContact CE-CG 3.89Å; M422-P462 HydrophobicContact CG-CG 3.99Å; M422-P462 HydrophobicContact SD-CG 3.75Å; P462-F464 PolarHBondContact O-N 3.04Å
463	D	76.3	Confident	88.7	Confident	80 Å²	80	20.2 Å²	20.2	43%	0.428	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	40.7	38.6	178.9	-75.5	-73.9	0	0	0	115	I307 S941	I307-D463 HydrophobicContact CG2-CB 3.81Å; D463-S941 PolarHBondContact OD1-OG 2.75Å
464	F	80.2	Confident	88.9	Confident	12 Å²	12	19.6 Å²	19.6	5%	0.053	11%	0.105	C	C	.	.			trans	-76.6	130	-176.9	-168.3	-134.7	0	0	0	112.3	I307 V320 V461 P462 E466 S469 L476 C478	I307-F464 HydrophobicContact CD1-CD2 3.83Å; V320-F464 HydrophobicContact CG1-CE2 3.92Å; V461-F464 HydrophobicContact CB-CB 3.91Å; V461-F464 HydrophobicContact CB-CD2 4.34Å; V461-F464 HydrophobicContact CB-CG 4.05Å; V461-F464 HydrophobicContact CG1-CB 3.93Å; V461-F464 HydrophobicContact CG1-CD2 3.95Å; V461-F464 HydrophobicContact CG1-CG 4.08Å; P462-F464 PolarHBondContact O-N 3.04Å; F464-E466 VanDerWaalsContact C-N 3.27Å; F464-E466 HydrophobicContact CD1-CB 4.49Å; F464-E466 WeakPolarHBondContact CD1-O 3.36Å; F464-E466 HydrophobicContact CE1-CB 4.04Å; F464-E466 HydrophobicContact CZ-CB 4.36Å; F464-E466 PolarHBondContact O-N 3.48Å; F464-S469 VanDerWaalsContact CZ-OG 3.29Å; F464-S469 WeakPolarHBondContact CZ-OG 3.43Å; F464-L476 HydrophobicContact CE1-CB 3.94Å; F464-L476 HydrophobicContact CE2-CD1 4.49Å; F464-L476 HydrophobicContact CZ-CB 3.94Å; F464-L476 HydrophobicContact CZ-CD1 4.19Å; F464-C478 HydrophobicContact CB-CB 3.82Å; F464-C478 HydrophobicContact CD1-CB 4.44Å
465	N	70.2	Confident	89.1	Confident	46 Å²	46	14.1 Å²	14.1	25%	0.246	8%	0.079	C	C	.	.	S	Bend	trans	-73.4	-11.6	-173	-70.3	-38.9	0	0	0	115.1	Y982	N465-Y982 PolarHBondContact OD1-OH 3.05Å
466	E	71.9	Confident	89.1	Confident	29 Å²	29	13.8 Å²	13.8	14%	0.136	8%	0.078	C	C	.	.	S	Bend	trans	-118.6	154.5	171.6	-62.2	-174.3	-175.2	0	0	108.8	N322 K325 F464 S469	N322-E466 PolarHBondContact ND2-OE1 2.86Å; K325-E466 IonicContact NZ-OE1 2.8Å; K325-E466 PolarHBondContact NZ-OE1 3.15Å; F464-E466 VanDerWaalsContact C-N 3.27Å; F464-E466 HydrophobicContact CD1-CB 4.49Å; F464-E466 WeakPolarHBondContact CD1-O 3.36Å; F464-E466 HydrophobicContact CE1-CB 4.04Å; F464-E466 HydrophobicContact CZ-CB 4.36Å; F464-E466 PolarHBondContact O-N 3.48Å; E466-S469 PolarHBondContact OE2-OG 3.37Å
467	C	78.8	Confident	88.8	Confident	57 Å²	57	13.9 Å²	13.9	39%	0.385	8%	0.078	S	C	.	.	S	Bend	trans	-66.2	-42.5	174.8	-59.6	0	0	0	0	111.3	A477 C478 Y481	C467-A477 WeakPolarHBondContact O-CA 3.47Å; C467-C478 PolarHBondContact O-N 2.99Å; C467-Y481 HydrophobicContact CB-CD2 3.84Å; C467-Y481 HydrophobicContact CB-CE1 4.41Å; C467-Y481 HydrophobicContact CB-CE2 3.69Å; C467-Y481 HydrophobicContact CB-CG 4.27Å; C467-Y481 VanDerWaalsContact O-CD1 3.31Å; C467-Y481 WeakPolarHBondContact O-CD1 3.41Å
468	A	86.5	Confident	88.2	Confident	14 Å²	14	15.1 Å²	15.1	12%	0.116	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	159.1	167.9	0	0	0	0	0	111	L476 A477 Y481 E503	A468-L476 CarbonylContact C-O 3.54Å; A468-L476 WeakPolarHBondContact CA-O 3.24Å; A468-L476 VanDerWaalsContact CB-O 3.29Å; A468-L476 WeakPolarHBondContact CB-O 3.29Å; A468-A477 HydrophobicContact CB-CB 4.26Å; A468-Y481 HydrophobicContact CB-CD1 3.85Å; A468-Y481 HydrophobicContact CB-CE1 3.52Å; A468-E503 HydrophobicContact CB-CG 4.05Å
469	S	88.4	Confident	87.2	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	127.8	172.8	-45.2	0	0	0	0	108.9	F464 E466 L476	F464-S469 VanDerWaalsContact CZ-OG 3.29Å; F464-S469 WeakPolarHBondContact CZ-OG 3.43Å; E466-S469 PolarHBondContact OE2-OG 3.37Å; S469-L476 PolarHBondContact N-O 2.89Å; S469-L476 PolarHBondContact O-N 3.24Å
470	E	89.6	Confident	86.1	Confident	28 Å²	28	19.2 Å²	19.2	13%	0.131	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.3	-167.2	85.3	-55.8	176.5	0	0	113	I475 R506	E470-I475 HydrophobicContact CB-CG1 4.25Å; E470-R506 VanDerWaalsContact CD-CZ 3.42Å; E470-R506 HydrophobicContact CG-CB 3.61Å; E470-R506 HydrophobicContact CG-CG 4.39Å; E470-R506 IonicContact OE1-CZ 2.78Å; E470-R506 IonicContact OE1-NE 3.14Å; E470-R506 PolarHBondContact OE1-NE 2.98Å; E470-R506 IonicContact OE1-NH2 3.53Å; E470-R506 PolarHBondContact OE1-NH2 2.98Å; E470-R506 IonicContact OE2-CZ 2.68Å; E470-R506 IonicContact OE2-NE 3.27Å; E470-R506 PolarHBondContact OE2-NE 3.49Å; E470-R506 IonicContact OE2-NH2 2.74Å; E470-R506 PolarHBondContact OE2-NH2 2.97Å
471	F	94.1	Very high	85.5	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158	-179.6	-46.6	-60.5	0	0	0	110.3	C395 L397 G473 L474 L476	C395-F471 WeakPolarHBondContact O-CD1 3.43Å; L397-F471 WeakPolarHBondContact O-CD1 3.38Å; L397-F471 WeakPolarHBondContact O-CE1 3.4Å; L397-F471 WeakPolarHBondContact O-CG 3.46Å; F471-G473 PolarHBondContact O-N 3.34Å; F471-L474 CarbonylContact C-O 3.51Å; F471-L474 VanDerWaalsContact CA-O 3.24Å; F471-L474 WeakPolarHBondContact CA-O 3.43Å; F471-L474 HydrophobicContact CB-CB 4.39Å; F471-L474 WeakPolarHBondContact CB-O 3.29Å; F471-L474 HydrophobicContact CD2-CG 4.47Å; F471-L474 PolarHBondContact N-O 3.08Å; F471-L474 CarbonylContact O-C 3.1Å; F471-L474 PolarHBondContact O-N 3.31Å; F471-L476 HydrophobicContact CD2-CG 4.36Å; F471-L476 HydrophobicContact CE2-CD1 3.88Å; F471-L476 HydrophobicContact CE2-CG 3.99Å
472	Y	95.2	Very high	85.1	Confident	4 Å²	4	20.8 Å²	20.8	2%	0.016	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	107.8	-177.5	-175.4	-96.4	0	0	0	110.8	N359 M360 P390 L392 A396 I451 L453 L474 A511 Y618	N359-Y472 CarbonylContact C-O 3.33Å; N359-Y472 WeakPolarHBondContact CA-O 3.39Å; N359-Y472 WeakPolarHBondContact CB-O 3.17Å; N359-Y472 PolarHBondContact ND2-N 3.08Å; N359-Y472 PolarHBondContact ND2-O 3.5Å; M360-Y472 HydrophobicContact SD-CD1 4.16Å; M360-Y472 HydrophobicContact SD-CE1 3.92Å; P390-Y472 HydrophobicContact CG-CE1 3.98Å; L392-Y472 VanDerWaalsContact CD1-CB 3.49Å; L392-Y472 HydrophobicContact CD1-CD1 3.89Å; L392-Y472 HydrophobicContact CD1-CD2 4.46Å; L392-Y472 HydrophobicContact CD1-CG 3.7Å; L392-Y472 HydrophobicContact CD2-CD2 3.94Å; L392-Y472 HydrophobicContact CD2-CE2 4.47Å; L392-Y472 HydrophobicContact CD2-CG 4.02Å; A396-Y472 PolarHBondContact O-N 2.86Å; I451-Y472 HydrophobicContact CG2-CE2 3.59Å; L453-Y472 HydrophobicContact CD2-CD1 3.78Å; L453-Y472 HydrophobicContact CD2-CE1 3.34Å; L453-Y472 HydrophobicContact CD2-CE2 4.19Å; L453-Y472 HydrophobicContact CD2-CG 4.36Å; L453-Y472 HydrophobicContact CG-CE1 4.25Å; L453-Y472 HydrophobicContact CG-CE2 4.35Å; Y472-L474 VanDerWaalsContact C-N 3.32Å; Y472-L474 PolarHBondContact O-N 3.42Å; Y472-A511 HydrophobicContact CD2-CB 3.89Å; Y472-Y618 HydrophobicContact CE2-CE1 4.18Å; Y472-Y618 PolarHBondContact OH-OH 2.99Å
473	G	96	Very high	84.8	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	6.4	-176.7	0	0	0	0	0	115.5	K455 D457 F471	K455-G473 PolarHBondContact NZ-O 3.13Å; D457-G473 PolarHBondContact N-O 3.18Å; F471-G473 PolarHBondContact O-N 3.34Å
474	L	97.2	Very high	84.6	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	120.1	178.4	172.5	58.2	0	0	0	111.1	I357 I400 D457 V459 F471 Y472 L476	I357-L474 HydrophobicContact CG2-CD1 3.79Å; I357-L474 HydrophobicContact CG2-CD2 4.47Å; I400-L474 HydrophobicContact CG2-CD2 4.47Å; D457-L474 HydrophobicContact CB-CD1 4.19Å; D457-L474 CarbonylContact O-C 3.58Å; D457-L474 VanDerWaalsContact O-CA 3.28Å; D457-L474 WeakPolarHBondContact O-CA 3.3Å; V459-L474 HydrophobicContact CG2-CD1 3.71Å; F471-L474 CarbonylContact C-O 3.51Å; F471-L474 VanDerWaalsContact CA-O 3.24Å; F471-L474 WeakPolarHBondContact CA-O 3.43Å; F471-L474 HydrophobicContact CB-CB 4.39Å; F471-L474 WeakPolarHBondContact CB-O 3.29Å; F471-L474 HydrophobicContact CD2-CG 4.47Å; F471-L474 PolarHBondContact N-O 3.08Å; F471-L474 CarbonylContact O-C 3.1Å; F471-L474 PolarHBondContact O-N 3.31Å; Y472-L474 VanDerWaalsContact C-N 3.32Å; Y472-L474 PolarHBondContact O-N 3.42Å; L474-L476 HydrophobicContact CD1-CD2 3.91Å; L474-L476 HydrophobicContact CD2-CD2 4.43Å; L474-L476 HydrophobicContact CG-CD2 4.18Å
475	I	96.3	Very high	83.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.2	173.1	-68.1	162.5	0	0	0	109.2	L456 D457 Y458 V459 E470 E503 L504	L456-I475 HydrophobicContact CD1-CD1 4.3Å; D457-I475 PolarHBondContact O-N 2.95Å; Y458-I475 CarbonylContact C-O 3.51Å; Y458-I475 VanDerWaalsContact CA-O 3.31Å; Y458-I475 WeakPolarHBondContact CA-O 3.46Å; Y458-I475 HydrophobicContact CD1-CB 3.82Å; Y458-I475 HydrophobicContact CD1-CG2 3.81Å; Y458-I475 HydrophobicContact CE1-CB 3.8Å; Y458-I475 HydrophobicContact CE1-CD1 3.7Å; Y458-I475 HydrophobicContact CE1-CG1 4.35Å; Y458-I475 HydrophobicContact CE1-CG2 3.71Å; Y458-I475 HydrophobicContact CE2-CD1 4.15Å; Y458-I475 HydrophobicContact CG-CB 4.36Å; Y458-I475 VanDerWaalsContact CZ-CD1 3.49Å; Y458-I475 WeakPolarHBondContact OH-CD1 3.25Å; V459-I475 PolarHBondContact N-O 3.47Å; E470-I475 HydrophobicContact CB-CG1 4.25Å; I475-E503 HydrophobicContact CD1-CB 4.04Å; I475-E503 HydrophobicContact CG2-CB 4.28Å; I475-E503 HydrophobicContact CG2-CG 4.36Å; I475-L504 HydrophobicContact CD1-CD2 4.49Å
476	L	95.3	Very high	83.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.1	170.8	-53.5	-173.1	0	0	0	108.9	V320 I400 V459 V461 F464 A468 S469 F471 L474	V320-L476 HydrophobicContact CG1-CD1 3.55Å; I400-L476 HydrophobicContact CB-CD2 4.14Å; I400-L476 HydrophobicContact CD1-CD2 4.12Å; I400-L476 HydrophobicContact CG2-CD2 3.76Å; V459-L476 HydrophobicContact CB-CD2 3.83Å; V459-L476 HydrophobicContact CG2-CD2 3.92Å; V461-L476 HydrophobicContact CG2-CB 4.29Å; V461-L476 HydrophobicContact CG2-CD2 4.4Å; F464-L476 HydrophobicContact CE1-CB 3.94Å; F464-L476 HydrophobicContact CE2-CD1 4.49Å; F464-L476 HydrophobicContact CZ-CB 3.94Å; F464-L476 HydrophobicContact CZ-CD1 4.19Å; A468-L476 CarbonylContact C-O 3.54Å; A468-L476 WeakPolarHBondContact CA-O 3.24Å; A468-L476 VanDerWaalsContact CB-O 3.29Å; A468-L476 WeakPolarHBondContact CB-O 3.29Å; S469-L476 PolarHBondContact N-O 2.89Å; S469-L476 PolarHBondContact O-N 3.24Å; F471-L476 HydrophobicContact CD2-CG 4.36Å; F471-L476 HydrophobicContact CE2-CD1 3.88Å; F471-L476 HydrophobicContact CE2-CG 3.99Å; L474-L476 HydrophobicContact CD1-CD2 3.91Å; L474-L476 HydrophobicContact CD2-CD2 4.43Å; L474-L476 HydrophobicContact CG-CD2 4.18Å
477	A	91.5	Very high	82.1	Confident	1 Å²	1	26 Å²	26	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.9	175.6	0	0	0	0	0	110.6	V459 V461 C467 A468 Y481 L482	V459-A477 PolarHBondContact O-N 3.36Å; V461-A477 PolarHBondContact N-O 3.08Å; C467-A477 WeakPolarHBondContact O-CA 3.47Å; A468-A477 HydrophobicContact CB-CB 4.26Å; A477-Y481 HydrophobicContact CB-CD1 4.13Å; A477-L482 HydrophobicContact CB-CD1 3.7Å; A477-L482 HydrophobicContact CB-CG 3.87Å
478	C	85.3	Confident	80.5	Confident	34 Å²	34	24.9 Å²	24.9	23%	0.23	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	158.4	170.4	79.9	0	0	0	0	110	V461 F464 C467 N480 Y481	V461-C478 WeakPolarHBondContact O-CA 3.35Å; F464-C478 HydrophobicContact CB-CB 3.82Å; F464-C478 HydrophobicContact CD1-CB 4.44Å; C467-C478 PolarHBondContact O-N 2.99Å; C478-N480 PolarHBondContact O-N 3.15Å; C478-Y481 PolarHBondContact O-N 3.1Å
479	E	77.1	Confident	78.5	Confident	58 Å²	58	27 Å²	27	27%	0.271	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	146	175.1	-70.8	-159.4	92.1	0	0	111.7	M422 R428 V461 Y481	M422-E479 WeakPolarHBondContact CE-OE2 3.33Å; R428-E479 IonicContact NH2-OE1 2.73Å; V461-E479 PolarHBondContact O-N 3.44Å; E479-Y481 PolarHBondContact O-N 2.71Å
480	N	72.4	Confident	76.9	Confident	30 Å²	30	27.7 Å²	27.7	16%	0.16	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-12	-175.8	-63.2	-0.2	0	0	0	117.5	C478 L482 V483 E485 R491	C478-N480 PolarHBondContact O-N 3.15Å; N480-L482 VanDerWaalsContact C-N 3.28Å; N480-L482 PolarHBondContact O-N 3.06Å; N480-L482 VanDerWaalsContact O-N 3.17Å; N480-V483 PolarHBondContact O-N 3.47Å; N480-V483 VanDerWaalsContact O-N 3.08Å; N480-V483 VanDerWaalsContact O-O 3.09Å; N480-E485 PolarHBondContact ND2-OE1 3.26Å; N480-E485 PolarHBondContact ND2-OE2 2.91Å; N480-E485 PolarHBondContact OD1-OE1 2.81Å; N480-R491 WeakPolarHBondContact O-CD 3.43Å
481	Y	79.9	Confident	75.7	Confident	37 Å²	37	29.7 Å²	29.7	15%	0.145	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.2	-178.1	-178.7	-115.8	0	0	0	114	C467 A468 A477 C478 E479 R491 S499 E503	C467-Y481 HydrophobicContact CB-CD2 3.84Å; C467-Y481 HydrophobicContact CB-CE1 4.41Å; C467-Y481 HydrophobicContact CB-CE2 3.69Å; C467-Y481 HydrophobicContact CB-CG 4.27Å; C467-Y481 VanDerWaalsContact O-CD1 3.31Å; C467-Y481 WeakPolarHBondContact O-CD1 3.41Å; A468-Y481 HydrophobicContact CB-CD1 3.85Å; A468-Y481 HydrophobicContact CB-CE1 3.52Å; A477-Y481 HydrophobicContact CB-CD1 4.13Å; C478-Y481 PolarHBondContact O-N 3.1Å; E479-Y481 PolarHBondContact O-N 2.71Å; Y481-R491 VanDerWaalsContact O-CZ 3.26Å; Y481-R491 PolarHBondContact O-NE 3.19Å; Y481-R491 PolarHBondContact O-NH2 3.37Å; Y481-S499 VanDerWaalsContact CE2-OG 3.29Å; Y481-S499 WeakPolarHBondContact CE2-OG 3.3Å; Y481-S499 PolarHBondContact OH-OG 3.05Å; Y481-E503 PolarHBondContact OH-OE1 2.63Å
482	L	81.4	Confident	74.5	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	9.8	178.8	-53.2	178.9	0	0	0	113.3	F419 A432 Y458 A477 N480 V496 I500	F419-L482 HydrophobicContact CE1-CB 4.16Å; F419-L482 HydrophobicContact CE1-CD1 4.33Å; F419-L482 HydrophobicContact CZ-CB 4.03Å; F419-L482 HydrophobicContact CZ-CD1 4.02Å; A432-L482 WeakPolarHBondContact CB-O 3.43Å; Y458-L482 HydrophobicContact CD1-CD1 3.49Å; Y458-L482 VanDerWaalsContact CD1-CD1 3.49Å; Y458-L482 HydrophobicContact CE1-CD1 3.68Å; A477-L482 HydrophobicContact CB-CD1 3.7Å; A477-L482 HydrophobicContact CB-CG 3.87Å; N480-L482 VanDerWaalsContact C-N 3.28Å; N480-L482 PolarHBondContact O-N 3.06Å; N480-L482 VanDerWaalsContact O-N 3.17Å; L482-V496 WeakPolarHBondContact O-CG1 3.44Å; L482-I500 HydrophobicContact CB-CG1 4.41Å; L482-I500 HydrophobicContact CD2-CG1 3.9Å
483	V	78	Confident	73.6	Confident	13 Å²	13	35 Å²	35	8%	0.079	19%	0.188	C	C	.	.	S	Bend	trans	-114.6	124.8	-178.1	-177.9	0	0	0	0	109.4	N480 E485	N480-V483 PolarHBondContact O-N 3.47Å; N480-V483 VanDerWaalsContact O-N 3.08Å; N480-V483 VanDerWaalsContact O-O 3.09Å; V483-E485 PolarHBondContact O-N 3.28Å
484	A	70.8	Confident	72.7	Confident	35 Å²	35	36.1 Å²	36.1	29%	0.289	19%	0.193	S	C	.	.			trans	-78.3	108.8	177.4	0	0	0	0	0	109.4	N486 R491 E493 V496	A484-N486 PolarHBondContact O-N 3.06Å; A484-R491 CarbonylContact C-O 3.02Å; A484-R491 WeakPolarHBondContact CA-O 3.34Å; A484-E493 HydrophobicContact CB-CB 4.26Å; A484-V496 HydrophobicContact CB-CB 4.46Å; A484-V496 HydrophobicContact CB-CG2 4.24Å
485	E	64.5	Low	71.7	Confident	52 Å²	52	38.5 Å²	38.5	24%	0.243	20%	0.204	C	C	.	.			trans	-95.1	93.2	170.6	-73.9	-170.9	161.9	0	0	107.6	R428 N480 V483 S487 G490 R491	R428-E485 IonicContact NH1-OE1 3.19Å; R428-E485 PolarHBondContact NH1-OE1 3.11Å; N480-E485 PolarHBondContact ND2-OE1 3.26Å; N480-E485 PolarHBondContact ND2-OE2 2.91Å; N480-E485 PolarHBondContact OD1-OE1 2.81Å; V483-E485 PolarHBondContact O-N 3.28Å; E485-S487 PolarHBondContact O-N 2.81Å; E485-S487 PolarHBondContact O-OG 3.47Å; E485-G490 CarbonylContact O-C 3.57Å; E485-G490 VanDerWaalsContact O-C 3.24Å; E485-G490 WeakPolarHBondContact O-CA 3.11Å; E485-R491 PolarHBondContact N-O 3.36Å
486	N	55.9	Low	71	Confident	123 Å²	123	38.5 Å²	38.5	66%	0.658	20%	0.204	S	C	*	.			trans	-71.1	24	175.8	-70.7	-30.5	0	0	0	113.3	A484	A484-N486 PolarHBondContact O-N 3.06Å
487	S	50.9	Low	70.5	Confident	58 Å²	58	39.3 Å²	39.3	41%	0.406	21%	0.207	S	C	.	.	S	Bend	trans	-64.7	-173	158.2	59.3	0	0	0	0	109.8	E485 G490 K838	E485-S487 PolarHBondContact O-N 2.81Å; E485-S487 PolarHBondContact O-OG 3.47Å; S487-G490 WeakPolarHBondContact OG-CA 3.37Å; S487-G490 PolarHBondContact OG-N 2.63Å; S487-K838 PolarHBondContact O-NZ 3.13Å
488	E	44.8	Very low	70.2	Confident	34 Å²	34	40.2 Å²	40.2	16%	0.159	21%	0.213	C	C	.	.	S	Bend	trans	-90.9	-25.4	-171.8	-124.4	-174	-148.3	0	0	112.9	P829 I875 S876 Q877	E488-P829 WeakPolarHBondContact OE1-CG 3.45Å; E488-I875 WeakPolarHBondContact OE1-CG2 3.31Å; E488-I875 VanDerWaalsContact OE2-CB 3.27Å; E488-I875 WeakPolarHBondContact OE2-CB 3.18Å; E488-I875 WeakPolarHBondContact OE2-CG2 3.39Å; E488-S876 VanDerWaalsContact CB-OG 3.3Å; E488-S876 WeakPolarHBondContact CB-OG 3.38Å; E488-S876 PolarHBondContact N-OG 2.67Å; E488-S876 PolarHBondContact OE2-N 2.98Å; E488-Q877 HydrophobicContact CB-CB 3.74Å; E488-Q877 HydrophobicContact CG-CB 3.66Å; E488-Q877 WeakPolarHBondContact OE2-CB 3.26Å; E488-Q877 PolarHBondContact OE2-N 3.39Å
489	D	44.3	Very low	70.3	Confident	58 Å²	58	39.1 Å²	39.1	31%	0.31	21%	0.205	S	C	.	.	S	Bend	trans	-98.6	-17.5	168.9	-54.4	-62.6	0	0	0	114.7	S876 Q877	D489-S876 VanDerWaalsContact CG-C 3.45Å; D489-S876 PolarHBondContact N-OG 2.73Å; D489-S876 VanDerWaalsContact N-OG 3.13Å; D489-S876 VanDerWaalsContact OD1-C 3.3Å; D489-S876 WeakPolarHBondContact OD2-CA 3.35Å; D489-S876 WeakPolarHBondContact OD2-CB 3.06Å; D489-S876 PolarHBondContact OD2-OG 2.72Å; D489-Q877 VanDerWaalsContact OD1-CA 3.3Å; D489-Q877 WeakPolarHBondContact OD1-CA 3.32Å; D489-Q877 PolarHBondContact OD1-N 3.48Å
490	G	54.4	Low	70.9	Confident	15 Å²	15	36.3 Å²	36.3	16%	0.155	19%	0.192	C	C	.	.	S	Bend	trans	-69.8	157.9	-169.8	0	0	0	0	0	113.7	E485 S487 T492	E485-G490 CarbonylContact O-C 3.57Å; E485-G490 VanDerWaalsContact O-C 3.24Å; E485-G490 WeakPolarHBondContact O-CA 3.11Å; S487-G490 WeakPolarHBondContact OG-CA 3.37Å; S487-G490 PolarHBondContact OG-N 2.63Å; G490-T492 PolarHBondContact O-N 2.88Å
491	R	64.7	Low	71.9	Confident	69 Å²	69	34.9 Å²	34.9	26%	0.26	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-58.9	128.4	177.7	-75.3	175.1	62.5	82.3	-7.2	110.1	N480 Y481 A484 E485 V496 S499	N480-R491 WeakPolarHBondContact O-CD 3.43Å; Y481-R491 VanDerWaalsContact O-CZ 3.26Å; Y481-R491 PolarHBondContact O-NE 3.19Å; Y481-R491 PolarHBondContact O-NH2 3.37Å; A484-R491 CarbonylContact C-O 3.02Å; A484-R491 WeakPolarHBondContact CA-O 3.34Å; E485-R491 PolarHBondContact N-O 3.36Å; R491-V496 HydrophobicContact CB-CG2 4.14Å; R491-S499 PolarHBondContact NH2-OG 3.41Å
492	T	69.3	Low	72.4	Confident	19 Å²	19	34.1 Å²	34.1	12%	0.117	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-70.4	156.8	178.9	61.6	0	0	0	0	112.3	G490 R494 E495 V496 Y835	G490-T492 PolarHBondContact O-N 2.88Å; T492-R494 PolarHBondContact O-N 2.96Å; T492-R494 VanDerWaalsContact O-N 3.15Å; T492-E495 WeakPolarHBondContact CB-OE2 3.24Å; T492-E495 WeakPolarHBondContact CG2-OE2 3.5Å; T492-E495 PolarHBondContact N-OE2 2.89Å; T492-E495 PolarHBondContact O-N 2.92Å; T492-E495 WeakPolarHBondContact OG1-CG 3.45Å; T492-E495 PolarHBondContact OG1-N 2.93Å; T492-E495 PolarHBondContact OG1-OE2 3.29Å; T492-V496 WeakPolarHBondContact O-CG2 3.36Å; T492-V496 PolarHBondContact O-N 3.27Å; T492-Y835 HydrophobicContact CG2-CD2 3.37Å; T492-Y835 HydrophobicContact CG2-CE2 4.01Å; T492-Y835 HydrophobicContact CG2-CG 4.11Å
493	E	75.8	Confident	72.9	Confident	96 Å²	96	34.2 Å²	34.2	45%	0.449	18%	0.183	S	C	.	.	H	α-helix	trans	-51.7	-34.4	169.6	-177.1	169.5	-166.1	0	0	112.5	A484 H497	A484-E493 HydrophobicContact CB-CB 4.26Å; E493-H497 VanDerWaalsContact CG-CE1 3.49Å; E493-H497 WeakPolarHBondContact CG-CE1 3.39Å; E493-H497 WeakPolarHBondContact CG-ND1 3.44Å; E493-H497 WeakPolarHBondContact O-CB 3.34Å; E493-H497 PolarHBondContact O-N 3.06Å; E493-H497 PolarHBondContact O-ND1 2.91Å; E493-H497 IonicContact OE1-CE1 2.68Å
494	R	76	Confident	73.7	Confident	25 Å²	25	33.6 Å²	33.6	9%	0.094	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-48.7	177.9	178	64.7	-167.9	133.3	7.6	112.5	T492 V496 H497 V498 D533 A536 C540 F545	T492-R494 PolarHBondContact O-N 2.96Å; T492-R494 VanDerWaalsContact O-N 3.15Å; R494-V496 PolarHBondContact O-N 2.68Å; R494-H497 PolarHBondContact O-N 3.19Å; R494-V498 VanDerWaalsContact CZ-CG2 3.42Å; R494-V498 WeakPolarHBondContact O-CG2 3.48Å; R494-V498 PolarHBondContact O-N 2.81Å; R494-D533 PolarHBondContact NH2-O 3.2Å; R494-A536 PolarHBondContact NH1-O 2.87Å; R494-A536 VanDerWaalsContact NH1-O 3.09Å; R494-C540 WeakPolarHBondContact CD-O 3.36Å; R494-F545 VanDerWaalsContact NH2-CG 3.34Å
495	E	77.2	Confident	74.9	Confident	50 Å²	50	32 Å²	32	23%	0.234	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-37.3	177.5	-70.5	158.6	122	0	0	111.3	T492 V498 S499 Y835	T492-E495 WeakPolarHBondContact CB-OE2 3.24Å; T492-E495 WeakPolarHBondContact CG2-OE2 3.5Å; T492-E495 PolarHBondContact N-OE2 2.89Å; T492-E495 PolarHBondContact O-N 2.92Å; T492-E495 WeakPolarHBondContact OG1-CG 3.45Å; T492-E495 PolarHBondContact OG1-N 2.93Å; T492-E495 PolarHBondContact OG1-OE2 3.29Å; E495-V498 PolarHBondContact O-N 3.4Å; E495-S499 PolarHBondContact O-N 2.81Å; E495-S499 PolarHBondContact O-OG 3.07Å; E495-Y835 WeakPolarHBondContact OE1-CE2 3.32Å; E495-Y835 PolarHBondContact OE1-OH 3.16Å
496	V	81.5	Confident	76.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.8	-43.2	175.8	167.4	0	0	0	0	112.1	L482 A484 R491 T492 R494 V498 S499 I500	L482-V496 WeakPolarHBondContact O-CG1 3.44Å; A484-V496 HydrophobicContact CB-CB 4.46Å; A484-V496 HydrophobicContact CB-CG2 4.24Å; R491-V496 HydrophobicContact CB-CG2 4.14Å; T492-V496 WeakPolarHBondContact O-CG2 3.36Å; T492-V496 PolarHBondContact O-N 3.27Å; R494-V496 PolarHBondContact O-N 2.68Å; V496-V498 VanDerWaalsContact C-N 3.29Å; V496-V498 PolarHBondContact O-N 2.89Å; V496-S499 PolarHBondContact O-N 2.76Å; V496-I500 HydrophobicContact CG1-CD1 3.56Å; V496-I500 HydrophobicContact CG1-CG1 4.35Å; V496-I500 WeakPolarHBondContact O-CB 3.41Å; V496-I500 WeakPolarHBondContact O-CD1 3.42Å; V496-I500 WeakPolarHBondContact O-CG1 3.38Å; V496-I500 PolarHBondContact O-N 3.06Å
497	H	85.7	Confident	78	Confident	16 Å²	16	24.5 Å²	24.5	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-59	-39.2	172.5	-84.5	76.3	0	0	0	112.2	I439 E493 R494 A501 A536	I439-H497 HydrophobicContact CD1-CB 4.31Å; E493-H497 VanDerWaalsContact CG-CE1 3.49Å; E493-H497 WeakPolarHBondContact CG-CE1 3.39Å; E493-H497 WeakPolarHBondContact CG-ND1 3.44Å; E493-H497 WeakPolarHBondContact O-CB 3.34Å; E493-H497 PolarHBondContact O-N 3.06Å; E493-H497 PolarHBondContact O-ND1 2.91Å; E493-H497 IonicContact OE1-CE1 2.68Å; R494-H497 PolarHBondContact O-N 3.19Å; H497-A501 VanDerWaalsContact O-CB 3.3Å; H497-A501 WeakPolarHBondContact O-CB 3.24Å; H497-A501 PolarHBondContact O-N 2.74Å; H497-A536 HydrophobicContact CB-CB 4.31Å
498	V	83.8	Confident	80.1	Confident	20 Å²	20	21.7 Å²	21.7	12%	0.121	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-53.2	176.8	166.7	0	0	0	0	111.3	R494 E495 V496 I500 A501 H502 D533 A536 F545	R494-V498 VanDerWaalsContact CZ-CG2 3.42Å; R494-V498 WeakPolarHBondContact O-CG2 3.48Å; R494-V498 PolarHBondContact O-N 2.81Å; E495-V498 PolarHBondContact O-N 3.4Å; V496-V498 VanDerWaalsContact C-N 3.29Å; V496-V498 PolarHBondContact O-N 2.89Å; V498-I500 PolarHBondContact O-N 3.47Å; V498-A501 PolarHBondContact O-N 3.02Å; V498-A501 VanDerWaalsContact O-N 3.13Å; V498-H502 PolarHBondContact O-N 3.41Å; V498-D533 WeakPolarHBondContact CG1-OD1 3.07Å; V498-A536 HydrophobicContact CG2-CB 4.23Å; V498-F545 HydrophobicContact CG1-CE2 4.4Å; V498-F545 HydrophobicContact CG2-CD2 4.24Å; V498-F545 HydrophobicContact CG2-CE2 3.74Å; V498-F545 HydrophobicContact CG2-CZ 4.23Å
499	S	86.9	Confident	82.3	Confident	11 Å²	11	20.1 Å²	20.1	8%	0.077	10%	0.099	C	C	.	.	H	α-helix	trans	-58.8	-45.7	178.3	-74	0	0	0	0	112	Y481 R491 E495 V496 A501 H502 E503	Y481-S499 VanDerWaalsContact CE2-OG 3.29Å; Y481-S499 WeakPolarHBondContact CE2-OG 3.3Å; Y481-S499 PolarHBondContact OH-OG 3.05Å; R491-S499 PolarHBondContact NH2-OG 3.41Å; E495-S499 PolarHBondContact O-N 2.81Å; E495-S499 PolarHBondContact O-OG 3.07Å; V496-S499 PolarHBondContact O-N 2.76Å; S499-A501 VanDerWaalsContact C-N 3.3Å; S499-A501 PolarHBondContact O-N 2.85Å; S499-H502 PolarHBondContact O-N 3.26Å; S499-E503 WeakPolarHBondContact O-CG 3.27Å; S499-E503 PolarHBondContact O-N 3.21Å; S499-E503 VanDerWaalsContact O-N 3.08Å
500	I	91.2	Very high	84.4	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58	-42.6	175.7	-69.7	165.9	0	0	0	111.2	I435 I436 I439 L482 V496 V498 L504	I435-I500 HydrophobicContact CB-CD1 4.03Å; I435-I500 HydrophobicContact CG2-CD1 3.64Å; I436-I500 HydrophobicContact CB-CG2 4.35Å; I436-I500 HydrophobicContact CG1-CD1 4.04Å; I436-I500 HydrophobicContact CG1-CG1 4.08Å; I436-I500 HydrophobicContact CG1-CG2 3.63Å; I439-I500 HydrophobicContact CB-CG2 4.32Å; I439-I500 HydrophobicContact CD1-CB 4.21Å; I439-I500 HydrophobicContact CD1-CG2 3.84Å; I439-I500 HydrophobicContact CG2-CG2 4.5Å; L482-I500 HydrophobicContact CB-CG1 4.41Å; L482-I500 HydrophobicContact CD2-CG1 3.9Å; V496-I500 HydrophobicContact CG1-CD1 3.56Å; V496-I500 HydrophobicContact CG1-CG1 4.35Å; V496-I500 WeakPolarHBondContact O-CB 3.41Å; V496-I500 WeakPolarHBondContact O-CD1 3.42Å; V496-I500 WeakPolarHBondContact O-CG1 3.38Å; V496-I500 PolarHBondContact O-N 3.06Å; V498-I500 PolarHBondContact O-N 3.47Å; I500-L504 HydrophobicContact CG2-CD1 3.72Å; I500-L504 HydrophobicContact CG2-CG 4.39Å; I500-L504 VanDerWaalsContact O-CB 3.31Å; I500-L504 WeakPolarHBondContact O-CB 3.05Å; I500-L504 VanDerWaalsContact O-CG 3.27Å; I500-L504 WeakPolarHBondContact O-CG 3.48Å; I500-L504 PolarHBondContact O-N 3.25Å
501	A	92.2	Very high	86	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69.6	-35	179.3	0	0	0	0	0	113.2	I439 H497 V498 S499 T505 G532 A536	I439-A501 HydrophobicContact CD1-CB 4.46Å; I439-A501 HydrophobicContact CG2-CB 3.84Å; H497-A501 VanDerWaalsContact O-CB 3.3Å; H497-A501 WeakPolarHBondContact O-CB 3.24Å; H497-A501 PolarHBondContact O-N 2.74Å; V498-A501 PolarHBondContact O-N 3.02Å; V498-A501 VanDerWaalsContact O-N 3.13Å; S499-A501 VanDerWaalsContact C-N 3.3Å; S499-A501 PolarHBondContact O-N 2.85Å; A501-T505 VanDerWaalsContact O-CB 3.28Å; A501-T505 WeakPolarHBondContact O-CB 3.49Å; A501-T505 PolarHBondContact O-N 3.33Å; A501-T505 PolarHBondContact O-OG1 3.13Å; A501-G532 VanDerWaalsContact CB-O 3.31Å; A501-G532 WeakPolarHBondContact CB-O 3.12Å; A501-A536 HydrophobicContact CB-CB 3.93Å
502	H	91	Very high	87.4	Confident	20 Å²	20	14.2 Å²	14.2	9%	0.093	7%	0.073	C	C	.	.	H	α-helix	trans	-62.3	-55.2	172.9	177.3	79.9	0	0	0	111.2	V498 S499 L504 T505 R506 D525 T529	V498-H502 PolarHBondContact O-N 3.41Å; S499-H502 PolarHBondContact O-N 3.26Å; H502-L504 VanDerWaalsContact C-N 3.31Å; H502-L504 PolarHBondContact O-N 3.06Å; H502-T505 PolarHBondContact O-N 3.1Å; H502-T505 VanDerWaalsContact O-N 3.14Å; H502-R506 WeakPolarHBondContact NE2-CD 3.32Å; H502-R506 PolarHBondContact NE2-NH1 2.89Å; H502-R506 WeakPolarHBondContact O-CG 3.32Å; H502-R506 PolarHBondContact O-N 3.42Å; H502-D525 IonicContact CE1-OD1 3.63Å; H502-D525 PolarHBondContact CE1-OD1 2.93Å; H502-D525 IonicContact NE2-OD1 3.63Å; H502-T529 PolarHBondContact CE1-OG1 3.3Å; H502-T529 PolarHBondContact ND1-N 3.43Å; H502-T529 PolarHBondContact ND1-OG1 2.9Å
503	E	92.3	Very high	88.6	Confident	5 Å²	5	13.4 Å²	13.4	2%	0.023	7%	0.067	C	C	.	.	H	α-helix	trans	-62.4	-38.3	-177.9	-49.6	-40.2	150.8	0	0	112	A468 I475 Y481 S499 R506	A468-E503 HydrophobicContact CB-CG 4.05Å; I475-E503 HydrophobicContact CD1-CB 4.04Å; I475-E503 HydrophobicContact CG2-CB 4.28Å; I475-E503 HydrophobicContact CG2-CG 4.36Å; Y481-E503 PolarHBondContact OH-OE1 2.63Å; S499-E503 WeakPolarHBondContact O-CG 3.27Å; S499-E503 PolarHBondContact O-N 3.21Å; S499-E503 VanDerWaalsContact O-N 3.08Å; E503-R506 PolarHBondContact O-N 3.14Å
504	L	94.8	Very high	89.2	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.7	-37.5	175.9	-74.6	175.7	0	0	0	112.8	I439 Y440 L443 L456 Y458 I475 I500 H502 R506 L507 W508	I439-L504 HydrophobicContact CB-CD1 3.95Å; I439-L504 HydrophobicContact CG2-CD1 3.78Å; Y440-L504 HydrophobicContact CD2-CD2 4.09Å; L443-L504 HydrophobicContact CD1-CB 3.3Å; L443-L504 HydrophobicContact CD1-CD1 4.32Å; L443-L504 HydrophobicContact CD1-CG 4.43Å; L456-L504 HydrophobicContact CD2-CD2 3.6Å; Y458-L504 WeakPolarHBondContact OH-CD2 3.31Å; Y458-L504 VanDerWaalsContact OH-CG 3.22Å; Y458-L504 WeakPolarHBondContact OH-CG 3.35Å; I475-L504 HydrophobicContact CD1-CD2 4.49Å; I500-L504 HydrophobicContact CG2-CD1 3.72Å; I500-L504 HydrophobicContact CG2-CG 4.39Å; I500-L504 VanDerWaalsContact O-CB 3.31Å; I500-L504 WeakPolarHBondContact O-CB 3.05Å; I500-L504 VanDerWaalsContact O-CG 3.27Å; I500-L504 WeakPolarHBondContact O-CG 3.48Å; I500-L504 PolarHBondContact O-N 3.25Å; H502-L504 VanDerWaalsContact C-N 3.31Å; H502-L504 PolarHBondContact O-N 3.06Å; L504-R506 PolarHBondContact O-N 3.11Å; L504-L507 HydrophobicContact CD2-CD1 3.79Å; L504-L507 WeakPolarHBondContact O-CB 3.33Å; L504-L507 WeakPolarHBondContact O-CG 3.45Å; L504-L507 PolarHBondContact O-N 3.28Å; L504-L507 VanDerWaalsContact O-N 3.14Å; L504-W508 VanDerWaalsContact O-CE3 3.27Å; L504-W508 WeakPolarHBondContact O-CZ3 3.21Å
505	T	95.1	Very high	89.9	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.2	-36.2	178.5	-62	0	0	0	0	111.4	L443 F447 A501 H502 L507 W508 L509 C528 V531	L443-T505 WeakPolarHBondContact CD2-OG1 3.45Å; F447-T505 HydrophobicContact CE2-CG2 4.14Å; F447-T505 HydrophobicContact CZ-CG2 3.96Å; A501-T505 VanDerWaalsContact O-CB 3.28Å; A501-T505 WeakPolarHBondContact O-CB 3.49Å; A501-T505 PolarHBondContact O-N 3.33Å; A501-T505 PolarHBondContact O-OG1 3.13Å; H502-T505 PolarHBondContact O-N 3.1Å; H502-T505 VanDerWaalsContact O-N 3.14Å; T505-L507 PolarHBondContact O-N 2.84Å; T505-W508 PolarHBondContact O-N 3.29Å; T505-W508 VanDerWaalsContact O-N 3.09Å; T505-L509 HydrophobicContact CG2-CD1 4.18Å; T505-L509 PolarHBondContact O-N 3.36Å; T505-C528 HydrophobicContact CG2-CB 4.11Å; T505-V531 HydrophobicContact CG2-CB 4.05Å; T505-V531 HydrophobicContact CG2-CG1 3.99Å
506	R	92	Very high	90.3	Very high	17 Å²	17	7 Å²	7	6%	0.064	4%	0.039	C	C	.	.	H	α-helix	trans	-65.3	-15.4	178.5	-67.3	169.7	72.8	146.2	-3	114	E470 H502 E503 L504 L509 G510 A511 D525 C528	E470-R506 VanDerWaalsContact CD-CZ 3.42Å; E470-R506 HydrophobicContact CG-CB 3.61Å; E470-R506 HydrophobicContact CG-CG 4.39Å; E470-R506 IonicContact OE1-CZ 2.78Å; E470-R506 IonicContact OE1-NE 3.14Å; E470-R506 PolarHBondContact OE1-NE 2.98Å; E470-R506 IonicContact OE1-NH2 3.53Å; E470-R506 PolarHBondContact OE1-NH2 2.98Å; E470-R506 IonicContact OE2-CZ 2.68Å; E470-R506 IonicContact OE2-NE 3.27Å; E470-R506 PolarHBondContact OE2-NE 3.49Å; E470-R506 IonicContact OE2-NH2 2.74Å; E470-R506 PolarHBondContact OE2-NH2 2.97Å; H502-R506 WeakPolarHBondContact NE2-CD 3.32Å; H502-R506 PolarHBondContact NE2-NH1 2.89Å; H502-R506 WeakPolarHBondContact O-CG 3.32Å; H502-R506 PolarHBondContact O-N 3.42Å; E503-R506 PolarHBondContact O-N 3.14Å; L504-R506 PolarHBondContact O-N 3.11Å; R506-L509 WeakPolarHBondContact CA-O 3.3Å; R506-L509 CarbonylContact O-C 3.56Å; R506-G510 CarbonylContact O-C 3.59Å; R506-G510 WeakPolarHBondContact O-CA 3.42Å; R506-G510 PolarHBondContact O-N 3.26Å; R506-A511 PolarHBondContact O-N 3.39Å; R506-D525 IonicContact CZ-OD1 3.64Å; R506-D525 IonicContact NH1-OD1 2.83Å; R506-D525 PolarHBondContact NH1-OD1 3.04Å; R506-C528 HydrophobicContact CG-CB 3.69Å
507	L	94.1	Very high	90.4	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.054	C	C	.	.	I	π-helix	trans	-65.6	-42.6	169.8	-60.3	176	0	0	0	111.6	Y440 I451 L456 L504 T505 V512	Y440-L507 HydrophobicContact CE2-CD1 4.42Å; I451-L507 HydrophobicContact CD1-CB 3.58Å; L456-L507 HydrophobicContact CD1-CD1 4.29Å; L456-L507 HydrophobicContact CD2-CD1 3.86Å; L504-L507 HydrophobicContact CD2-CD1 3.79Å; L504-L507 WeakPolarHBondContact O-CB 3.33Å; L504-L507 WeakPolarHBondContact O-CG 3.45Å; L504-L507 PolarHBondContact O-N 3.28Å; L504-L507 VanDerWaalsContact O-N 3.14Å; T505-L507 PolarHBondContact O-N 2.84Å; L507-V512 WeakPolarHBondContact O-CG2 3.39Å; L507-V512 PolarHBondContact O-N 3.27Å
508	W	95	Very high	90.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-79.5	-56.7	174.8	-74.2	-97	0	0	0	111.1	Y440 L443 E444 F447 Y449 I451 L504 T505 G510 V513 I613	Y440-W508 AromaticContact CD2-CH2 3.73Å; Y440-W508 HydrophobicContact CD2-CH2 3.73Å; Y440-W508 HydrophobicContact CD2-CZ3 4.18Å; Y440-W508 HydrophobicContact CE1-CH2 4.41Å; Y440-W508 AromaticContact CE2-CH2 3.52Å; Y440-W508 HydrophobicContact CE2-CH2 3.52Å; Y440-W508 HydrophobicContact CE2-CZ2 4.27Å; Y440-W508 HydrophobicContact CE2-CZ3 4.15Å; Y440-W508 HydrophobicContact CG-CH2 4.25Å; Y440-W508 AromaticContact CZ-CH2 3.88Å; L443-W508 HydrophobicContact CB-CE3 4.07Å; L443-W508 HydrophobicContact CB-CH2 3.58Å; L443-W508 HydrophobicContact CB-CZ2 4.23Å; L443-W508 HydrophobicContact CB-CZ3 3.48Å; L443-W508 VanDerWaalsContact CB-CZ3 3.48Å; L443-W508 HydrophobicContact CD1-CZ3 4.02Å; L443-W508 HydrophobicContact CG-CZ3 4.28Å; E444-W508 HydrophobicContact CB-CZ2 4.08Å; F447-W508 HydrophobicContact CB-CG 4.35Å; F447-W508 HydrophobicContact CD2-CB 3.69Å; F447-W508 AromaticContact CD2-CD1 3.69Å; F447-W508 AromaticContact CD2-CD2 3.6Å; F447-W508 HydrophobicContact CD2-CD2 3.6Å; F447-W508 HydrophobicContact CD2-CE3 4.16Å; F447-W508 AromaticContact CD2-CG 3.38Å; F447-W508 HydrophobicContact CD2-CG 3.38Å; F447-W508 HydrophobicContact CE2-CB 3.68Å; F447-W508 HydrophobicContact CE2-CD2 4.08Å; F447-W508 HydrophobicContact CE2-CE3 4.29Å; F447-W508 AromaticContact CE2-CG 3.85Å; F447-W508 HydrophobicContact CE2-CG 3.85Å; F447-W508 HydrophobicContact CG-CB 4.36Å; F447-W508 AromaticContact CG-CD1 4Å; F447-W508 HydrophobicContact CG-CG 4.08Å; F447-W508 HydrophobicContact CZ-CB 4.37Å; Y449-W508 AromaticContact CD1-CD1 3.92Å; Y449-W508 AromaticContact CD1-NE1 3.93Å; Y449-W508 PolarHBondContact O-NE1 2.94Å; I451-W508 HydrophobicContact CD1-CD2 3.73Å; I451-W508 HydrophobicContact CD1-CE3 3.96Å; I451-W508 HydrophobicContact CD1-CG 4.21Å; I451-W508 HydrophobicContact CD1-CH2 4.21Å; I451-W508 HydrophobicContact CD1-CZ2 4Å; I451-W508 HydrophobicContact CD1-CZ3 4.18Å; I451-W508 HydrophobicContact CG1-CD2 4.18Å; I451-W508 HydrophobicContact CG1-CG 4.48Å; I451-W508 HydrophobicContact CG1-CZ2 4.02Å; L504-W508 VanDerWaalsContact O-CE3 3.27Å; L504-W508 WeakPolarHBondContact O-CZ3 3.21Å; T505-W508 PolarHBondContact O-N 3.29Å; T505-W508 VanDerWaalsContact O-N 3.09Å; W508-G510 PolarHBondContact O-N 2.74Å; W508-V513 PolarHBondContact O-N 3.27Å; W508-I613 HydrophobicContact CB-CD1 4.09Å
509	L	92	Very high	89.9	Confident	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.064	C	C	.	.	I	π-helix	trans	-92.5	75.7	178.7	-63.7	176.7	0	0	0	108.6	F447 T505 R506 H524 L527 C528 F612 I613	F447-L509 HydrophobicContact CE1-CD1 4.09Å; F447-L509 HydrophobicContact CE1-CG 4.33Å; F447-L509 HydrophobicContact CZ-CD1 3.78Å; F447-L509 HydrophobicContact CZ-CG 3.99Å; T505-L509 HydrophobicContact CG2-CD1 4.18Å; T505-L509 PolarHBondContact O-N 3.36Å; R506-L509 WeakPolarHBondContact CA-O 3.3Å; R506-L509 CarbonylContact O-C 3.56Å; L509-H524 VanDerWaalsContact C-NE2 3.33Å; L509-H524 PolarHBondContact O-CE1 3Å; L509-H524 PolarHBondContact O-NE2 3.01Å; L509-L527 HydrophobicContact CD1-CD2 3.88Å; L509-L527 HydrophobicContact CD1-CG 3.88Å; L509-C528 WeakPolarHBondContact CB-SG 3.25Å; L509-C528 PolarHBondContact O-SG 3Å; L509-F612 HydrophobicContact CD2-CE1 4.33Å; L509-I613 HydrophobicContact CD2-CD1 4.08Å; L509-I613 HydrophobicContact CD2-CG1 4.16Å; L509-I613 HydrophobicContact CG-CD1 4.49Å
510	G	87.9	Confident	89.8	Confident	11 Å²	11	12.4 Å²	12.4	11%	0.113	7%	0.068	C	C	.	.	I	π-helix	trans	158.3	-76.8	-179.4	0	0	0	0	0	111.7	R506 W508 V513 S514 H524	R506-G510 CarbonylContact O-C 3.59Å; R506-G510 WeakPolarHBondContact O-CA 3.42Å; R506-G510 PolarHBondContact O-N 3.26Å; W508-G510 PolarHBondContact O-N 2.74Å; G510-V513 WeakPolarHBondContact CA-O 3.41Å; G510-V513 PolarHBondContact N-O 3.3Å; G510-V513 CarbonylContact O-C 3.46Å; G510-S514 WeakPolarHBondContact O-CA 3.04Å; G510-S514 VanDerWaalsContact O-CB 3.27Å; G510-S514 WeakPolarHBondContact O-CB 3.29Å; G510-S514 PolarHBondContact O-N 2.82Å; G510-H524 VanDerWaalsContact CA-CE1 3.47Å; G510-H524 WeakPolarHBondContact CA-CE1 3.33Å
511	A	88.2	Confident	89.4	Confident	7 Å²	7	13.2 Å²	13.2	6%	0.058	7%	0.072	C	C	.	.	I	π-helix	trans	-72.8	-45.3	-177.8	0	0	0	0	0	112.7	R341 A396 Y472 R506	R341-A511 PolarHBondContact NH2-O 2.85Å; A396-A511 HydrophobicContact CB-CB 4.33Å; Y472-A511 HydrophobicContact CD2-CB 3.89Å; R506-A511 PolarHBondContact O-N 3.39Å
512	V	93.7	Very high	89	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-71.2	-62.2	172.5	174.1	0	0	0	0	110	R341 Y449 I451 L507 A617 Y618	R341-V512 PolarHBondContact NH1-O 3.31Å; R341-V512 PolarHBondContact NH2-O 3.13Å; Y449-V512 HydrophobicContact CE1-CG1 4.07Å; I451-V512 HydrophobicContact CB-CG2 4.41Å; I451-V512 HydrophobicContact CD1-CG2 4.2Å; I451-V512 HydrophobicContact CG1-CG2 4.06Å; I451-V512 HydrophobicContact CG2-CG2 3.78Å; L507-V512 WeakPolarHBondContact O-CG2 3.39Å; L507-V512 PolarHBondContact O-N 3.27Å; V512-A617 HydrophobicContact CG1-CB 3.96Å; V512-Y618 HydrophobicContact CG2-CE1 4.42Å; V512-Y618 VanDerWaalsContact O-CA 3.23Å; V512-Y618 WeakPolarHBondContact O-CA 3.44Å; V512-Y618 PolarHBondContact O-N 3.14Å
513	V	93.3	Very high	88.8	Confident	1 Å²	1	13 Å²	13	1%	0.006	7%	0.071	C	C	.	.	S	Bend	trans	-110.1	104.6	175.2	-164.5	0	0	0	0	111.1	W508 G510 H524 F612 I613 I621	W508-V513 PolarHBondContact O-N 3.27Å; G510-V513 WeakPolarHBondContact CA-O 3.41Å; G510-V513 PolarHBondContact N-O 3.3Å; G510-V513 CarbonylContact O-C 3.46Å; V513-H524 PolarHBondContact O-NE2 2.89Å; V513-F612 HydrophobicContact CB-CE1 4.06Å; V513-F612 HydrophobicContact CG1-CE1 3.56Å; V513-F612 HydrophobicContact CG1-CE2 4.48Å; V513-F612 HydrophobicContact CG1-CZ 3.55Å; V513-F612 HydrophobicContact CG2-CE1 4.41Å; V513-I613 HydrophobicContact CG2-CG1 4.34Å; V513-I621 HydrophobicContact CG1-CG2 3.5Å
514	S	90.4	Very high	88.6	Confident	2 Å²	2	13.5 Å²	13.5	1%	0.014	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	149.3	-179	45.4	0	0	0	0	111.5	R341 G510 K619 S620 I621	R341-S514 PolarHBondContact NH1-OG 2.8Å; G510-S514 WeakPolarHBondContact O-CA 3.04Å; G510-S514 VanDerWaalsContact O-CB 3.27Å; G510-S514 WeakPolarHBondContact O-CB 3.29Å; G510-S514 PolarHBondContact O-N 2.82Å; S514-K619 PolarHBondContact N-O 3.37Å; S514-S620 WeakPolarHBondContact O-CA 3.44Å; S514-S620 WeakPolarHBondContact OG-CA 3.12Å; S514-S620 PolarHBondContact OG-OG 2.84Å; S514-I621 PolarHBondContact O-N 3.41Å
515	P	89	Confident	88.3	Confident	8 Å²	8	13.8 Å²	13.8	5%	0.052	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	144.9	172.2	24.1	-29	0	0	0	110.4	L338 S517 E520	L338-P515 WeakPolarHBondContact CB-O 3.31Å; L338-P515 HydrophobicContact CD1-CG 3.95Å; L338-P515 HydrophobicContact CD2-CG 4.33Å; P515-S517 VanDerWaalsContact C-N 3.28Å; P515-S517 PolarHBondContact O-N 3.33Å; P515-E520 HydrophobicContact CB-CB 4.09Å
516	Q	86.2	Confident	88	Confident	26 Å²	26	13.8 Å²	13.8	12%	0.121	8%	0.075	C	C	.	.	S	Bend	trans	-69.6	-24.9	178.7	-180	173.4	8.1	0	0	113.3	T339 I621 S622	T339-Q516 HydrophobicContact CG2-CG 4.46Å; T339-Q516 VanDerWaalsContact CG2-O 3.23Å; T339-Q516 WeakPolarHBondContact CG2-O 3.34Å; Q516-I621 VanDerWaalsContact CB-C 3.45Å; Q516-I621 PolarHBondContact N-O 2.67Å; Q516-S622 VanDerWaalsContact OE1-CB 3.31Å
517	S	82.7	Confident	88	Confident	43 Å²	43	13 Å²	13	30%	0.301	7%	0.072	S	C	.	.	S	Bend	trans	-148.7	147.7	-178.5	-175.2	0	0	0	0	109.9	P515 N519 E520	P515-S517 VanDerWaalsContact C-N 3.28Å; P515-S517 PolarHBondContact O-N 3.33Å; S517-N519 PolarHBondContact O-N 2.95Å; S517-N519 VanDerWaalsContact O-N 3.09Å; S517-N519 PolarHBondContact OG-ND2 2.85Å; S517-E520 PolarHBondContact O-N 3.27Å
518	W	80.9	Confident	87.9	Confident	20 Å²	20	13 Å²	13	8%	0.076	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-58.5	-21.9	175.5	-61.2	106.4	0	0	0	113.1	E337 L338 C395 E520 F521 I571 P574 I577	E337-W518 PolarHBondContact OE2-NE1 2.69Å; L338-W518 HydrophobicContact CD1-CB 4.4Å; L338-W518 HydrophobicContact CD1-CD2 3.35Å; L338-W518 HydrophobicContact CD1-CE3 3.59Å; L338-W518 HydrophobicContact CD1-CG 3.69Å; L338-W518 HydrophobicContact CD1-CH2 4.42Å; L338-W518 HydrophobicContact CD1-CZ2 4.22Å; L338-W518 HydrophobicContact CD1-CZ3 4.13Å; L338-W518 HydrophobicContact CD2-CH2 4.18Å; L338-W518 HydrophobicContact CD2-CZ2 4.29Å; L338-W518 HydrophobicContact CD2-CZ3 4.34Å; L338-W518 HydrophobicContact CG-CD2 3.87Å; L338-W518 HydrophobicContact CG-CE3 4.17Å; L338-W518 HydrophobicContact CG-CG 4.47Å; L338-W518 HydrophobicContact CG-CH2 4.1Å; L338-W518 HydrophobicContact CG-CZ2 3.78Å; L338-W518 HydrophobicContact CG-CZ3 4.28Å; C395-W518 HydrophobicContact CB-CH2 3.93Å; W518-E520 PolarHBondContact O-N 3.42Å; W518-F521 HydrophobicContact CE3-CD2 4.43Å; W518-F521 WeakPolarHBondContact O-CB 3.47Å; W518-F521 PolarHBondContact O-N 3.33Å; W518-I571 HydrophobicContact CB-CB 4.34Å; W518-I571 HydrophobicContact CB-CG2 3.65Å; W518-I571 WeakPolarHBondContact O-CD1 3.38Å; W518-P574 VanDerWaalsContact CD1-CG 3.44Å; W518-P574 HydrophobicContact CD2-CB 3.71Å; W518-P574 HydrophobicContact CD2-CG 4.01Å; W518-P574 HydrophobicContact CE3-CB 4.27Å; W518-P574 HydrophobicContact CG-CB 3.95Å; W518-P574 HydrophobicContact CG-CG 3.9Å; W518-P574 HydrophobicContact CH2-CB 4.49Å; W518-P574 HydrophobicContact CZ2-CB 3.97Å; W518-P574 HydrophobicContact CZ2-CG 4.21Å; W518-I577 HydrophobicContact CB-CD1 4.27Å; W518-I577 HydrophobicContact CD2-CD1 4.12Å; W518-I577 HydrophobicContact CE3-CD1 3.38Å; W518-I577 HydrophobicContact CZ3-CD1 3.99Å
519	N	80	Confident	87.6	Confident	63 Å²	63	14 Å²	14	34%	0.337	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-57.5	-24.9	171	-68.3	-70.8	0	0	0	114.4	S517 T570 I571	S517-N519 PolarHBondContact O-N 2.95Å; S517-N519 VanDerWaalsContact O-N 3.09Å; S517-N519 PolarHBondContact OG-ND2 2.85Å; N519-T570 VanDerWaalsContact OD1-CA 3.23Å; N519-T570 WeakPolarHBondContact OD1-CA 3.49Å; N519-T570 WeakPolarHBondContact OD1-CG2 3.29Å; N519-I571 PolarHBondContact OD1-N 2.97Å
520	E	83.6	Confident	87.5	Confident	35 Å²	35	14.5 Å²	14.5	16%	0.164	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-90.4	-0.5	177.9	-60.9	-172.4	-147.6	0	0	112.9	P515 S517 W518 F522 I523 H524 S622 L623	P515-E520 HydrophobicContact CB-CB 4.09Å; S517-E520 PolarHBondContact O-N 3.27Å; W518-E520 PolarHBondContact O-N 3.42Å; E520-F522 PolarHBondContact O-N 2.69Å; E520-I523 HydrophobicContact CB-CG2 4.34Å; E520-I523 WeakPolarHBondContact O-CG2 3.46Å; E520-I523 PolarHBondContact O-N 3.25Å; E520-H524 VanDerWaalsContact O-CB 3.27Å; E520-H524 WeakPolarHBondContact O-CB 3.44Å; E520-H524 PolarHBondContact O-N 3.42Å; E520-S622 WeakPolarHBondContact OE1-CA 3.25Å; E520-S622 WeakPolarHBondContact OE1-CB 3.15Å; E520-S622 PolarHBondContact OE1-OG 3.22Å; E520-S622 WeakPolarHBondContact OE2-CA 3.25Å; E520-S622 PolarHBondContact OE2-OG 3.21Å; E520-L623 PolarHBondContact OE2-N 3.25Å
521	F	82.7	Confident	87.7	Confident	18 Å²	18	14 Å²	14	8%	0.079	8%	0.075	C	C	.	.	H	α-helix	trans	-52.9	-50.2	-174.6	-177.7	-88.9	0	0	0	112.7	W518 I523 H524 D525 I571 I577	W518-F521 HydrophobicContact CE3-CD2 4.43Å; W518-F521 WeakPolarHBondContact O-CB 3.47Å; W518-F521 PolarHBondContact O-N 3.33Å; F521-I523 PolarHBondContact O-N 3.1Å; F521-H524 PolarHBondContact O-N 3.03Å; F521-D525 HydrophobicContact CD1-CB 4.44Å; F521-D525 HydrophobicContact CE1-CB 4.12Å; F521-D525 HydrophobicContact CZ-CB 4.44Å; F521-D525 VanDerWaalsContact O-CB 3.24Å; F521-D525 WeakPolarHBondContact O-CB 3.48Å; F521-D525 PolarHBondContact O-N 3.14Å; F521-I571 HydrophobicContact CB-CD1 4.44Å; F521-I577 HydrophobicContact CB-CD1 4.09Å; F521-I577 HydrophobicContact CB-CG1 4.45Å; F521-I577 HydrophobicContact CD1-CD1 4.35Å; F521-I577 HydrophobicContact CD1-CG1 4.31Å; F521-I577 HydrophobicContact CD1-CG2 3.54Å; F521-I577 HydrophobicContact CD2-CD1 3.83Å; F521-I577 HydrophobicContact CD2-CG2 4.37Å; F521-I577 HydrophobicContact CE1-CG2 3.33Å; F521-I577 HydrophobicContact CE2-CD1 4.39Å; F521-I577 HydrophobicContact CE2-CG2 4.18Å; F521-I577 HydrophobicContact CG-CD1 3.81Å; F521-I577 HydrophobicContact CG-CG1 4.21Å; F521-I577 HydrophobicContact CG-CG2 4.08Å; F521-I577 HydrophobicContact CZ-CG2 3.67Å
522	F	83.3	Confident	87.8	Confident	9 Å²	9	13.7 Å²	13.7	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-66.6	-33.6	-174.8	-71.1	-62.5	0	0	0	114.8	E520 A526 I571 Y580 R581 P589	E520-F522 PolarHBondContact O-N 2.69Å; F522-A526 WeakPolarHBondContact O-CB 3.43Å; F522-A526 PolarHBondContact O-N 2.8Å; F522-A526 VanDerWaalsContact O-N 3.12Å; F522-I571 HydrophobicContact CD2-CD1 4.18Å; F522-I571 HydrophobicContact CE2-CD1 3.85Å; F522-Y580 HydrophobicContact CE2-CG 4.44Å; F522-R581 HydrophobicContact CE1-CG 3.84Å; F522-R581 HydrophobicContact CZ-CG 4.45Å; F522-P589 HydrophobicContact CB-CG 4.41Å; F522-P589 WeakPolarHBondContact O-CG 3.37Å
523	I	87.9	Confident	87.4	Confident	7 Å²	7	14.1 Å²	14.1	4%	0.036	7%	0.074	C	C	.	.	H	α-helix	trans	-79.9	-29.6	176.2	180	164.6	0	0	0	111.9	E520 F521 L527 P589 M592 L623 W627 V642 M646	E520-I523 HydrophobicContact CB-CG2 4.34Å; E520-I523 WeakPolarHBondContact O-CG2 3.46Å; E520-I523 PolarHBondContact O-N 3.25Å; F521-I523 PolarHBondContact O-N 3.1Å; I523-L527 WeakPolarHBondContact O-CB 3.19Å; I523-L527 PolarHBondContact O-N 3.24Å; I523-P589 HydrophobicContact CB-CB 4.13Å; I523-P589 HydrophobicContact CG1-CB 4.39Å; I523-M592 HydrophobicContact CD1-CE 3.75Å; I523-L623 HydrophobicContact CG1-CD1 4.43Å; I523-L623 HydrophobicContact CG2-CD1 4.1Å; I523-W627 HydrophobicContact CD1-CZ2 3.64Å; I523-W627 HydrophobicContact CG1-CZ2 4.07Å; I523-V642 HydrophobicContact CD1-CG1 3.26Å; I523-M646 HydrophobicContact CB-CE 3.93Å; I523-M646 HydrophobicContact CB-SD 4.03Å; I523-M646 HydrophobicContact CD1-CG 3.95Å; I523-M646 HydrophobicContact CD1-SD 4.22Å; I523-M646 HydrophobicContact CG2-CE 4.15Å
524	H	88.3	Confident	87.1	Confident	14 Å²	14	16.2 Å²	16.2	7%	0.065	8%	0.083	C	C	.	.	H	α-helix	trans	-69.8	-50.1	173.6	-176.8	-91.8	0	0	0	111.6	L509 G510 V513 E520 F521 A526 L527 C528 L623	L509-H524 VanDerWaalsContact C-NE2 3.33Å; L509-H524 PolarHBondContact O-CE1 3Å; L509-H524 PolarHBondContact O-NE2 3.01Å; G510-H524 VanDerWaalsContact CA-CE1 3.47Å; G510-H524 WeakPolarHBondContact CA-CE1 3.33Å; V513-H524 PolarHBondContact O-NE2 2.89Å; E520-H524 VanDerWaalsContact O-CB 3.27Å; E520-H524 WeakPolarHBondContact O-CB 3.44Å; E520-H524 PolarHBondContact O-N 3.42Å; F521-H524 PolarHBondContact O-N 3.03Å; H524-A526 VanDerWaalsContact C-N 3.35Å; H524-A526 PolarHBondContact O-N 2.95Å; H524-L527 WeakPolarHBondContact O-CB 3.29Å; H524-L527 PolarHBondContact O-N 2.93Å; H524-L527 VanDerWaalsContact O-N 3.16Å; H524-C528 PolarHBondContact O-N 3.35Å; H524-C528 PolarHBondContact O-SG 2.76Å; H524-C528 VanDerWaalsContact O-SG 3.34Å; H524-L623 HydrophobicContact CB-CD1 3.87Å
525	D	87.3	Confident	86.9	Confident	7 Å²	7	16.4 Å²	16.4	4%	0.037	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-42.7	175.1	-158.2	32	0	0	0	111.4	H502 R506 F521 C528 T529 R581	H502-D525 IonicContact CE1-OD1 3.63Å; H502-D525 PolarHBondContact CE1-OD1 2.93Å; H502-D525 IonicContact NE2-OD1 3.63Å; R506-D525 IonicContact CZ-OD1 3.64Å; R506-D525 IonicContact NH1-OD1 2.83Å; R506-D525 PolarHBondContact NH1-OD1 3.04Å; F521-D525 HydrophobicContact CD1-CB 4.44Å; F521-D525 HydrophobicContact CE1-CB 4.12Å; F521-D525 HydrophobicContact CZ-CB 4.44Å; F521-D525 VanDerWaalsContact O-CB 3.24Å; F521-D525 WeakPolarHBondContact O-CB 3.48Å; F521-D525 PolarHBondContact O-N 3.14Å; D525-C528 WeakPolarHBondContact O-CB 3.46Å; D525-C528 PolarHBondContact O-N 2.69Å; D525-T529 PolarHBondContact O-N 3.49Å; D525-T529 PolarHBondContact O-OG1 3.31Å; D525-R581 IonicContact OD1-NH2 3.91Å; D525-R581 PolarHBondContact OD1-NH2 3.49Å; D525-R581 IonicContact OD2-CZ 2.63Å; D525-R581 IonicContact OD2-NE 2.81Å; D525-R581 PolarHBondContact OD2-NE 3.31Å; D525-R581 IonicContact OD2-NH2 2.82Å; D525-R581 PolarHBondContact OD2-NH2 3.47Å
526	A	89.2	Confident	86.6	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.5	-34.8	174.9	0	0	0	0	0	114.2	F522 H524 C528 Y530 F586 P589 L593	F522-A526 WeakPolarHBondContact O-CB 3.43Å; F522-A526 PolarHBondContact O-N 2.8Å; F522-A526 VanDerWaalsContact O-N 3.12Å; H524-A526 VanDerWaalsContact C-N 3.35Å; H524-A526 PolarHBondContact O-N 2.95Å; A526-C528 VanDerWaalsContact C-N 3.32Å; A526-Y530 VanDerWaalsContact O-CB 3.28Å; A526-Y530 WeakPolarHBondContact O-CB 3.31Å; A526-Y530 PolarHBondContact O-N 3.1Å; A526-F586 HydrophobicContact CB-CD2 4.27Å; A526-F586 HydrophobicContact CB-CE2 4.05Å; A526-P589 HydrophobicContact CB-CB 3.81Å; A526-P589 HydrophobicContact CB-CG 3.82Å; A526-L593 HydrophobicContact CB-CD1 4.34Å
527	L	92.2	Very high	86.4	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.8	-37.4	173.3	-177	65.1	0	0	0	111.1	L509 I523 H524 V531 L593 F605 L609 I626	L509-L527 HydrophobicContact CD1-CD2 3.88Å; L509-L527 HydrophobicContact CD1-CG 3.88Å; I523-L527 WeakPolarHBondContact O-CB 3.19Å; I523-L527 PolarHBondContact O-N 3.24Å; H524-L527 WeakPolarHBondContact O-CB 3.29Å; H524-L527 PolarHBondContact O-N 2.93Å; H524-L527 VanDerWaalsContact O-N 3.16Å; L527-V531 WeakPolarHBondContact O-CG2 3.22Å; L527-V531 PolarHBondContact O-N 3.43Å; L527-V531 VanDerWaalsContact O-N 3.09Å; L527-L593 HydrophobicContact CB-CD1 3.81Å; L527-L593 HydrophobicContact CD1-CD1 4.04Å; L527-L593 HydrophobicContact CD1-CD2 4.37Å; L527-F605 HydrophobicContact CD1-CE1 4.06Å; L527-F605 HydrophobicContact CD1-CZ 3.78Å; L527-L609 HydrophobicContact CD1-CD2 4.34Å; L527-L609 HydrophobicContact CD2-CD2 3.98Å; L527-I626 HydrophobicContact CD2-CD1 4.33Å
528	C	91.5	Very high	86.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.2	-47.7	174.6	-67.1	0	0	0	0	112.3	T505 R506 L509 H524 D525 A526 G532	T505-C528 HydrophobicContact CG2-CB 4.11Å; R506-C528 HydrophobicContact CG-CB 3.69Å; L509-C528 WeakPolarHBondContact CB-SG 3.25Å; L509-C528 PolarHBondContact O-SG 3Å; H524-C528 PolarHBondContact O-N 3.35Å; H524-C528 PolarHBondContact O-SG 2.76Å; H524-C528 VanDerWaalsContact O-SG 3.34Å; D525-C528 WeakPolarHBondContact O-CB 3.46Å; D525-C528 PolarHBondContact O-N 2.69Å; A526-C528 VanDerWaalsContact C-N 3.32Å; C528-G532 PolarHBondContact O-N 2.92Å
529	T	88.9	Confident	85.6	Confident	21 Å²	21	22.9 Å²	22.9	13%	0.129	11%	0.114	C	C	.	.	H	α-helix	trans	-65	-45.2	176.1	-45.4	0	0	0	0	112	H502 D525 V531 G532 D533 F586 Y590	H502-T529 PolarHBondContact CE1-OG1 3.3Å; H502-T529 PolarHBondContact ND1-N 3.43Å; H502-T529 PolarHBondContact ND1-OG1 2.9Å; D525-T529 PolarHBondContact O-N 3.49Å; D525-T529 PolarHBondContact O-OG1 3.31Å; T529-V531 VanDerWaalsContact C-N 3.33Å; T529-V531 PolarHBondContact O-N 3.19Å; T529-G532 PolarHBondContact O-N 3.33Å; T529-G532 VanDerWaalsContact O-N 3.14Å; T529-D533 WeakPolarHBondContact O-CB 3.15Å; T529-D533 PolarHBondContact O-N 2.68Å; T529-F586 HydrophobicContact CG2-CE2 4.42Å; T529-F586 HydrophobicContact CG2-CZ 3.77Å; T529-F586 VanDerWaalsContact OG1-CE2 3.28Å; T529-F586 WeakPolarHBondContact OG1-CE2 3.33Å; T529-F586 WeakPolarHBondContact OG1-CZ 3.49Å; T529-Y590 HydrophobicContact CG2-CE2 4.37Å
530	Y	90.6	Very high	85.4	Confident	13 Å²	13	21.5 Å²	21.5	5%	0.051	11%	0.109	C	C	.	.	H	α-helix	trans	-57.9	-43.3	178.9	167.1	-102.5	0	0	0	112.8	A526 K534 V594 E597 F605	A526-Y530 VanDerWaalsContact O-CB 3.28Å; A526-Y530 WeakPolarHBondContact O-CB 3.31Å; A526-Y530 PolarHBondContact O-N 3.1Å; Y530-K534 HydrophobicContact CE1-CD 4.47Å; Y530-K534 VanDerWaalsContact O-CB 3.26Å; Y530-K534 WeakPolarHBondContact O-CB 3.18Å; Y530-K534 PolarHBondContact O-N 2.93Å; Y530-V594 HydrophobicContact CD2-CB 4.48Å; Y530-V594 HydrophobicContact CD2-CG2 3.5Å; Y530-V594 VanDerWaalsContact CD2-CG2 3.5Å; Y530-V594 HydrophobicContact CE2-CB 4.41Å; Y530-V594 HydrophobicContact CE2-CG2 3.79Å; Y530-E597 HydrophobicContact CE1-CB 4.27Å; Y530-E597 HydrophobicContact CE1-CG 4.48Å; Y530-E597 WeakPolarHBondContact OH-CB 3.42Å; Y530-E597 WeakPolarHBondContact OH-CG 3.46Å; Y530-E597 PolarHBondContact OH-OE1 2.64Å; Y530-E597 PolarHBondContact OH-OE2 3.21Å; Y530-F605 HydrophobicContact CD1-CE1 4.17Å; Y530-F605 HydrophobicContact CD1-CZ 4.42Å; Y530-F605 HydrophobicContact CE1-CD1 4.34Å; Y530-F605 AromaticContact CE1-CE1 3.68Å; Y530-F605 HydrophobicContact CE1-CE1 3.68Å; Y530-F605 HydrophobicContact CE1-CZ 4.15Å
531	V	91.9	Very high	84.7	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.9	-41.6	175.3	170.6	0	0	0	0	111.3	L443 Y446 F447 T505 L527 T529 K534 L535 L609	L443-V531 HydrophobicContact CD2-CG1 4.44Å; Y446-V531 HydrophobicContact CD1-CG1 3.93Å; Y446-V531 HydrophobicContact CE1-CG1 3.55Å; Y446-V531 HydrophobicContact CE1-CG2 4.18Å; F447-V531 HydrophobicContact CE1-CG1 4.45Å; F447-V531 HydrophobicContact CE2-CG1 4.49Å; F447-V531 HydrophobicContact CZ-CG1 3.86Å; T505-V531 HydrophobicContact CG2-CB 4.05Å; T505-V531 HydrophobicContact CG2-CG1 3.99Å; L527-V531 WeakPolarHBondContact O-CG2 3.22Å; L527-V531 PolarHBondContact O-N 3.43Å; L527-V531 VanDerWaalsContact O-N 3.09Å; T529-V531 VanDerWaalsContact C-N 3.33Å; T529-V531 PolarHBondContact O-N 3.19Å; V531-K534 PolarHBondContact O-N 2.73Å; V531-L535 HydrophobicContact CG1-CD1 3.74Å; V531-L535 HydrophobicContact CG1-CG 4.37Å; V531-L535 WeakPolarHBondContact O-CG 3.44Å; V531-L535 PolarHBondContact O-N 2.84Å; V531-L609 HydrophobicContact CG2-CD1 4Å
532	G	89.6	Confident	84	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-51.1	176.7	0	0	0	0	0	112.8	A501 C528 T529 K534 L535 A536	A501-G532 VanDerWaalsContact CB-O 3.31Å; A501-G532 WeakPolarHBondContact CB-O 3.12Å; C528-G532 PolarHBondContact O-N 2.92Å; T529-G532 PolarHBondContact O-N 3.33Å; T529-G532 VanDerWaalsContact O-N 3.14Å; G532-K534 VanDerWaalsContact C-N 3.34Å; G532-K534 PolarHBondContact O-N 2.85Å; G532-L535 PolarHBondContact O-N 3.35Å; G532-A536 WeakPolarHBondContact O-CB 3.45Å; G532-A536 PolarHBondContact O-N 3.25Å
533	D	85.6	Confident	83.3	Confident	10 Å²	10	32 Å²	32	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-54.6	-49.1	176.9	-73.8	-14.9	0	0	0	111.9	R494 V498 T529 N537 F545 Y590	R494-D533 PolarHBondContact NH2-O 3.2Å; V498-D533 WeakPolarHBondContact CG1-OD1 3.07Å; T529-D533 WeakPolarHBondContact O-CB 3.15Å; T529-D533 PolarHBondContact O-N 2.68Å; D533-N537 VanDerWaalsContact O-CB 3.23Å; D533-N537 WeakPolarHBondContact O-CB 3.36Å; D533-N537 PolarHBondContact O-N 2.77Å; D533-F545 HydrophobicContact CB-CE1 3.8Å; D533-F545 HydrophobicContact CB-CZ 4Å; D533-F545 WeakPolarHBondContact OD1-CZ 3.43Å; D533-Y590 VanDerWaalsContact OD2-CE2 3.24Å; D533-Y590 WeakPolarHBondContact OD2-CE2 3.34Å; D533-Y590 PolarHBondContact OD2-OH 3.06Å
534	K	87.2	Confident	82.3	Confident	45 Å²	45	34.1 Å²	34.1	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-47.6	-179.1	177.7	170.7	172.9	178.1	0	111.5	Y530 V531 G532 N537 I538 E597 D602	Y530-K534 HydrophobicContact CE1-CD 4.47Å; Y530-K534 VanDerWaalsContact O-CB 3.26Å; Y530-K534 WeakPolarHBondContact O-CB 3.18Å; Y530-K534 PolarHBondContact O-N 2.93Å; V531-K534 PolarHBondContact O-N 2.73Å; G532-K534 VanDerWaalsContact C-N 3.34Å; G532-K534 PolarHBondContact O-N 2.85Å; K534-N537 PolarHBondContact O-N 3.35Å; K534-I538 PolarHBondContact O-N 3.07Å; K534-E597 IonicContact NZ-OE1 2.7Å; K534-E597 PolarHBondContact NZ-OE1 3.44Å; K534-D602 WeakPolarHBondContact CE-OD1 3.4Å; K534-D602 IonicContact NZ-OD1 3.68Å; K534-D602 PolarHBondContact NZ-OD1 3.42Å
535	L	86.4	Confident	81.3	Confident	5 Å²	5	35 Å²	35	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-71.9	-40.2	179.2	-65.6	173.6	0	0	0	112.1	V442 L443 Y446 V531 G532 N537 I538 H539	V442-L535 HydrophobicContact CG1-CD2 4.11Å; L443-L535 HydrophobicContact CD2-CD1 3.34Å; L443-L535 HydrophobicContact CG-CD1 3.93Å; Y446-L535 HydrophobicContact CD1-CD1 4Å; Y446-L535 HydrophobicContact CD2-CD1 4.5Å; Y446-L535 HydrophobicContact CD2-CD2 3.68Å; Y446-L535 HydrophobicContact CE2-CD2 4.29Å; Y446-L535 HydrophobicContact CG-CD1 3.9Å; Y446-L535 HydrophobicContact CG-CD2 3.85Å; Y446-L535 HydrophobicContact CG-CG 4.4Å; V531-L535 HydrophobicContact CG1-CD1 3.74Å; V531-L535 HydrophobicContact CG1-CG 4.37Å; V531-L535 WeakPolarHBondContact O-CG 3.44Å; V531-L535 PolarHBondContact O-N 2.84Å; G532-L535 PolarHBondContact O-N 3.35Å; L535-N537 PolarHBondContact O-N 3.32Å; L535-I538 HydrophobicContact CD2-CD1 4.12Å; L535-I538 WeakPolarHBondContact O-CB 3.17Å; L535-I538 PolarHBondContact O-N 3.48Å; L535-H539 PolarHBondContact O-CD2 3.41Å; L535-H539 PolarHBondContact O-N 3.13Å
536	A	82.7	Confident	80.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-34.1	173.2	0	0	0	0	0	111.5	R494 H497 V498 A501 G532 I538 H539 C540	R494-A536 PolarHBondContact NH1-O 2.87Å; R494-A536 VanDerWaalsContact NH1-O 3.09Å; H497-A536 HydrophobicContact CB-CB 4.31Å; V498-A536 HydrophobicContact CG2-CB 4.23Å; A501-A536 HydrophobicContact CB-CB 3.93Å; G532-A536 WeakPolarHBondContact O-CB 3.45Å; G532-A536 PolarHBondContact O-N 3.25Å; A536-I538 VanDerWaalsContact C-N 3.26Å; A536-I538 PolarHBondContact O-N 3.33Å; A536-H539 PolarHBondContact O-N 2.95Å; A536-C540 PolarHBondContact O-N 3.12Å
537	N	81.6	Confident	79.7	Confident	50 Å²	50	38.2 Å²	38.2	27%	0.267	19%	0.191	S	C	.	.	H	α-helix	trans	-75.2	-8.3	175.9	-167.4	59.7	0	0	0	113.7	D533 K534 L535 P541 S542	D533-N537 VanDerWaalsContact O-CB 3.23Å; D533-N537 WeakPolarHBondContact O-CB 3.36Å; D533-N537 PolarHBondContact O-N 2.77Å; K534-N537 PolarHBondContact O-N 3.35Å; L535-N537 PolarHBondContact O-N 3.32Å; N537-P541 WeakPolarHBondContact O-CA 3.21Å; N537-P541 WeakPolarHBondContact O-CB 3.43Å; N537-P541 WeakPolarHBondContact O-CG 3.08Å; N537-P541 WeakPolarHBondContact OD1-CA 3.45Å; N537-S542 PolarHBondContact OD1-N 3.3Å
538	I	77.6	Confident	78.7	Confident	109 Å²	109	40.6 Å²	40.6	56%	0.559	20%	0.202	S	C	*	.	H	α-helix	trans	-80.6	-38.1	166.8	-65.5	170.8	0	0	0	110.2	K534 L535 A536	K534-I538 PolarHBondContact O-N 3.07Å; L535-I538 HydrophobicContact CD2-CD1 4.12Å; L535-I538 WeakPolarHBondContact O-CB 3.17Å; L535-I538 PolarHBondContact O-N 3.48Å; A536-I538 VanDerWaalsContact C-N 3.26Å; A536-I538 PolarHBondContact O-N 3.33Å
539	H	70.5	Confident	77.7	Confident	75 Å²	75	41 Å²	41	35%	0.347	20%	0.204	S	C	.	.	H	α-helix	trans	-82.2	-37.5	179.9	-69.5	-66.1	0	0	0	114.2	V442 L535 A536	V442-H539 WeakPolarHBondContact CB-NE2 3.33Å; V442-H539 VanDerWaalsContact CG2-NE2 3.34Å; V442-H539 WeakPolarHBondContact CG2-NE2 3.4Å; L535-H539 PolarHBondContact O-CD2 3.41Å; L535-H539 PolarHBondContact O-N 3.13Å; A536-H539 PolarHBondContact O-N 2.95Å
540	C	74.5	Confident	76.7	Confident	34 Å²	34	40.1 Å²	40.1	23%	0.23	20%	0.199	C	C	.	.	S	Bend	trans	-127.5	74.1	177.5	-171.4	0	0	0	0	108.3	R494 A536 S542	R494-C540 WeakPolarHBondContact CD-O 3.36Å; A536-C540 PolarHBondContact O-N 3.12Å; C540-S542 PolarHBondContact O-N 3.13Å
541	P	68.4	Low	75.7	Confident	100 Å²	100	40.7 Å²	40.7	65%	0.649	20%	0.203	S	C	*	.			trans	-66.7	125.8	-175.4	-17.6	31.5	0	0	0	111.1	N537	N537-P541 WeakPolarHBondContact O-CA 3.21Å; N537-P541 WeakPolarHBondContact O-CB 3.43Å; N537-P541 WeakPolarHBondContact O-CG 3.08Å; N537-P541 WeakPolarHBondContact OD1-CA 3.45Å
542	S	68.7	Low	74.5	Confident	27 Å²	27	42 Å²	42	19%	0.189	21%	0.212	C	C	.	.			trans	-149.9	116.5	-179.8	-172.1	0	0	0	0	112.9	N537 C540 E544 F545	N537-S542 PolarHBondContact OD1-N 3.3Å; C540-S542 PolarHBondContact O-N 3.13Å; S542-E544 PolarHBondContact O-N 3.35Å; S542-E544 WeakPolarHBondContact OG-CB 3.07Å; S542-E544 WeakPolarHBondContact OG-CG 3.27Å; S542-E544 PolarHBondContact OG-N 3.01Å; S542-F545 WeakPolarHBondContact O-CB 3.23Å; S542-F545 PolarHBondContact O-N 3.43Å; S542-F545 VanDerWaalsContact O-N 3.09Å
543	R	68.4	Low	73.6	Confident	155 Å²	155	44.8 Å²	44.8	59%	0.585	23%	0.227	S	C	*	.	H	α-helix	trans	-57.3	-28.4	166.8	-173	-177.5	-177.6	92.2	10.5	111.3	F545 E546 V547 D755	R543-F545 PolarHBondContact O-N 2.99Å; R543-E546 PolarHBondContact O-N 3.27Å; R543-V547 WeakPolarHBondContact O-CG2 3.17Å; R543-V547 PolarHBondContact O-N 2.89Å; R543-D755 IonicContact CZ-OD1 3.87Å; R543-D755 IonicContact CZ-OD2 2.73Å; R543-D755 IonicContact NE-OD1 3.31Å; R543-D755 IonicContact NE-OD2 3.87Å; R543-D755 PolarHBondContact NE-OD2 2.81Å; R543-D755 VanDerWaalsContact NH2-CG 3.34Å; R543-D755 IonicContact NH2-OD1 3.09Å; R543-D755 PolarHBondContact NH2-OD1 3.29Å; R543-D755 IonicContact NH2-OD2 3.79Å; R543-D755 PolarHBondContact NH2-OD2 3.34Å
544	E	67.2	Low	73.3	Confident	51 Å²	51	44.3 Å²	44.3	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-31.9	177.6	-52.4	-173.7	-176.6	0	0	112.1	S542 V547 F548 S834 Y835 L836	S542-E544 PolarHBondContact O-N 3.35Å; S542-E544 WeakPolarHBondContact OG-CB 3.07Å; S542-E544 WeakPolarHBondContact OG-CG 3.27Å; S542-E544 PolarHBondContact OG-N 3.01Å; E544-V547 PolarHBondContact O-N 3.39Å; E544-F548 WeakPolarHBondContact O-CB 3.01Å; E544-F548 PolarHBondContact O-N 3.34Å; E544-S834 VanDerWaalsContact CD-OG 3.3Å; E544-S834 WeakPolarHBondContact OE1-CA 3.49Å; E544-S834 VanDerWaalsContact OE1-CB 3.24Å; E544-S834 WeakPolarHBondContact OE1-CB 3.32Å; E544-S834 PolarHBondContact OE1-OG 3.13Å; E544-Y835 WeakPolarHBondContact OE2-CA 3.17Å; E544-Y835 WeakPolarHBondContact OE2-CB 3.31Å; E544-Y835 PolarHBondContact OE2-N 3.08Å; E544-L836 HydrophobicContact CB-CB 4.27Å; E544-L836 HydrophobicContact CB-CD1 3.61Å; E544-L836 HydrophobicContact CB-CG 3.79Å; E544-L836 HydrophobicContact CG-CB 4.22Å; E544-L836 HydrophobicContact CG-CD1 4.09Å; E544-L836 HydrophobicContact CG-CG 4.28Å; E544-L836 PolarHBondContact OE2-N 3.03Å
545	F	68.5	Low	72.9	Confident	34 Å²	34	43.6 Å²	43.6	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-46.6	176.8	-172.5	-97.9	0	0	0	112	R494 V498 D533 S542 R543 V547 F548 T549	R494-F545 VanDerWaalsContact NH2-CG 3.34Å; V498-F545 HydrophobicContact CG1-CE2 4.4Å; V498-F545 HydrophobicContact CG2-CD2 4.24Å; V498-F545 HydrophobicContact CG2-CE2 3.74Å; V498-F545 HydrophobicContact CG2-CZ 4.23Å; D533-F545 HydrophobicContact CB-CE1 3.8Å; D533-F545 HydrophobicContact CB-CZ 4Å; D533-F545 WeakPolarHBondContact OD1-CZ 3.43Å; S542-F545 WeakPolarHBondContact O-CB 3.23Å; S542-F545 PolarHBondContact O-N 3.43Å; S542-F545 VanDerWaalsContact O-N 3.09Å; R543-F545 PolarHBondContact O-N 2.99Å; F545-V547 PolarHBondContact O-N 2.98Å; F545-F548 PolarHBondContact O-N 3.05Å; F545-F548 VanDerWaalsContact O-N 3.12Å; F545-T549 PolarHBondContact O-N 3.39Å; F545-T549 PolarHBondContact O-OG1 3.27Å; F545-T549 VanDerWaalsContact O-OG1 3.11Å
546	E	70.6	Confident	72.4	Confident	69 Å²	69	48 Å²	48	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-60.4	-30.2	177.1	-74.8	-157.9	-120.4	0	0	113.2	R543 R598 K731	R543-E546 PolarHBondContact O-N 3.27Å; E546-R598 IonicContact OE2-NH2 3.13Å; E546-K731 WeakPolarHBondContact OE2-CE 3.48Å; E546-K731 IonicContact OE2-NZ 2.78Å; E546-K731 PolarHBondContact OE2-NZ 2.85Å
547	V	72.2	Confident	72.2	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-78.3	-42.2	175.3	173.4	0	0	0	0	110.8	R543 E544 F545 A550 L551 D755 T756 M759 L836	R543-V547 WeakPolarHBondContact O-CG2 3.17Å; R543-V547 PolarHBondContact O-N 2.89Å; E544-V547 PolarHBondContact O-N 3.39Å; F545-V547 PolarHBondContact O-N 2.98Å; V547-A550 WeakPolarHBondContact O-CB 3.41Å; V547-A550 PolarHBondContact O-N 3.32Å; V547-L551 HydrophobicContact CG1-CD1 4.11Å; V547-L551 VanDerWaalsContact O-CG 3.32Å; V547-L551 WeakPolarHBondContact O-CG 3.34Å; V547-L551 PolarHBondContact O-N 3Å; V547-L551 VanDerWaalsContact O-N 3.12Å; V547-D755 HydrophobicContact CG2-CB 4.26Å; V547-T756 HydrophobicContact CG2-CG2 4.02Å; V547-M759 HydrophobicContact CG1-CE 3.57Å; V547-M759 HydrophobicContact CG1-SD 4.08Å; V547-L836 HydrophobicContact CB-CD1 3.87Å; V547-L836 HydrophobicContact CG1-CD1 3.67Å
548	F	69.4	Low	72.4	Confident	50 Å²	50	45.8 Å²	45.8	22%	0.219	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-46.5	175.6	-173.8	-89.4	0	0	0	111.9	E544 F545 A550 L551 C552 Y835	E544-F548 WeakPolarHBondContact O-CB 3.01Å; E544-F548 PolarHBondContact O-N 3.34Å; F545-F548 PolarHBondContact O-N 3.05Å; F545-F548 VanDerWaalsContact O-N 3.12Å; F548-A550 VanDerWaalsContact C-N 3.28Å; F548-A550 PolarHBondContact O-N 3.34Å; F548-L551 PolarHBondContact O-N 2.63Å; F548-L551 VanDerWaalsContact O-N 3.15Å; F548-C552 HydrophobicContact CD1-CB 4.01Å; F548-C552 HydrophobicContact CE1-CB 3.71Å; F548-C552 HydrophobicContact CE2-CB 4.47Å; F548-C552 VanDerWaalsContact CE2-SG 3.56Å; F548-C552 HydrophobicContact CZ-CB 3.98Å; F548-C552 WeakPolarHBondContact CZ-SG 3.28Å; F548-C552 WeakPolarHBondContact O-CB 3.24Å; F548-C552 PolarHBondContact O-N 3.16Å; F548-Y835 AromaticContact CD2-CE1 3.75Å; F548-Y835 HydrophobicContact CD2-CE1 3.75Å; F548-Y835 AromaticContact CE2-CE1 3.86Å; F548-Y835 HydrophobicContact CE2-CE1 3.86Å; F548-Y835 WeakPolarHBondContact CE2-OH 3.47Å
549	T	72.2	Confident	72.4	Confident	8 Å²	8	42.4 Å²	42.4	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-41.4	177.1	-50.4	0	0	0	0	112	F545 L551 D553 T554 Y590	F545-T549 PolarHBondContact O-N 3.39Å; F545-T549 PolarHBondContact O-OG1 3.27Å; F545-T549 VanDerWaalsContact O-OG1 3.11Å; T549-L551 PolarHBondContact O-N 2.91Å; T549-D553 WeakPolarHBondContact CA-OD2 3.26Å; T549-D553 HydrophobicContact CG2-CB 4.19Å; T549-D553 PolarHBondContact O-N 2.77Å; T549-T554 PolarHBondContact O-N 3.41Å; T549-T554 PolarHBondContact O-OG1 3Å; T549-Y590 HydrophobicContact CG2-CE1 3.82Å
550	A	67.7	Low	72.6	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.025	20%	0.204	C	C	.	.	I	π-helix	trans	-62.7	-40	177.9	0	0	0	0	0	112.7	V547 F548 T554 F730 T756 M759	V547-A550 WeakPolarHBondContact O-CB 3.41Å; V547-A550 PolarHBondContact O-N 3.32Å; F548-A550 VanDerWaalsContact C-N 3.28Å; F548-A550 PolarHBondContact O-N 3.34Å; A550-T554 WeakPolarHBondContact CA-OG1 3.43Å; A550-F730 HydrophobicContact CB-CD1 3.9Å; A550-F730 HydrophobicContact CB-CE1 4.5Å; A550-T756 HydrophobicContact CB-CG2 4.41Å; A550-M759 HydrophobicContact CB-SD 4.42Å
551	L	69	Low	72.9	Confident	26 Å²	26	39.2 Å²	39.2	14%	0.136	20%	0.195	C	C	.	.	I	π-helix	trans	-73.9	-52.7	177.6	-66.3	170.9	0	0	0	112.5	V547 F548 T549 M759 L789	V547-L551 HydrophobicContact CG1-CD1 4.11Å; V547-L551 VanDerWaalsContact O-CG 3.32Å; V547-L551 WeakPolarHBondContact O-CG 3.34Å; V547-L551 PolarHBondContact O-N 3Å; V547-L551 VanDerWaalsContact O-N 3.12Å; F548-L551 PolarHBondContact O-N 2.63Å; F548-L551 VanDerWaalsContact O-N 3.15Å; T549-L551 PolarHBondContact O-N 2.91Å; L551-M759 HydrophobicContact CD1-CE 4.14Å; L551-M759 HydrophobicContact CD2-CE 3.75Å; L551-M759 HydrophobicContact CD2-CG 4.38Å; L551-M759 HydrophobicContact CD2-SD 3.61Å; L551-M759 HydrophobicContact CG-CE 4.06Å; L551-M759 HydrophobicContact CG-SD 3.85Å; L551-L789 HydrophobicContact CD2-CB 3.65Å; L551-L789 HydrophobicContact CD2-CD1 3.99Å; L551-L789 HydrophobicContact CD2-CD2 4.23Å; L551-L789 HydrophobicContact CD2-CG 4.16Å
552	C	66.1	Low	73.4	Confident	27 Å²	27	34.5 Å²	34.5	18%	0.182	17%	0.165	C	C	.	.	I	π-helix	trans	-89.5	-34.4	-163.7	-81.6	0	0	0	0	114.1	F548 K556	F548-C552 HydrophobicContact CD1-CB 4.01Å; F548-C552 HydrophobicContact CE1-CB 3.71Å; F548-C552 HydrophobicContact CE2-CB 4.47Å; F548-C552 VanDerWaalsContact CE2-SG 3.56Å; F548-C552 HydrophobicContact CZ-CB 3.98Å; F548-C552 WeakPolarHBondContact CZ-SG 3.28Å; F548-C552 WeakPolarHBondContact O-CB 3.24Å; F548-C552 PolarHBondContact O-N 3.16Å; C552-K556 WeakPolarHBondContact O-CB 3.49Å; C552-K556 WeakPolarHBondContact O-CD 3.31Å; C552-K556 WeakPolarHBondContact O-CE 3.32Å; C552-K556 WeakPolarHBondContact O-CG 3.22Å; C552-K556 PolarHBondContact O-NZ 3.37Å
553	D	72.3	Confident	73.7	Confident	58 Å²	58	33.5 Å²	33.5	31%	0.31	16%	0.157	S	C	.	.	I	π-helix	trans	-114.9	-49.8	-165.3	-49.4	-42.8	0	0	0	110.4	T549 G557	T549-D553 WeakPolarHBondContact CA-OD2 3.26Å; T549-D553 HydrophobicContact CG2-CB 4.19Å; T549-D553 PolarHBondContact O-N 2.77Å; D553-G557 PolarHBondContact O-N 2.95Å
554	T	79.3	Confident	73.7	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.145	C	C	.	.	I	π-helix	trans	-59.6	-54.3	177.1	-40.6	0	0	0	0	110.9	T549 A550 G557 L558 H591 F730	T549-T554 PolarHBondContact O-N 3.41Å; T549-T554 PolarHBondContact O-OG1 3Å; A550-T554 WeakPolarHBondContact CA-OG1 3.43Å; T554-G557 PolarHBondContact O-N 3.42Å; T554-L558 HydrophobicContact CG2-CD1 4.12Å; T554-L558 WeakPolarHBondContact O-CB 3.28Å; T554-L558 VanDerWaalsContact O-CG 3.27Å; T554-L558 WeakPolarHBondContact O-CG 3.1Å; T554-L558 PolarHBondContact O-N 3.47Å; T554-H591 WeakPolarHBondContact CB-NE2 3.45Å; T554-H591 PolarHBondContact OG1-CE1 3.06Å; T554-H591 PolarHBondContact OG1-NE2 2.76Å; T554-F730 HydrophobicContact CG2-CD2 3.91Å; T554-F730 HydrophobicContact CG2-CE2 3.55Å; T554-F730 HydrophobicContact CG2-CZ 3.95Å
555	N	77.5	Confident	73.3	Confident	29 Å²	29	32.2 Å²	32.2	16%	0.155	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-41.2	-173.6	-163.3	51.9	0	0	0	112.6	L558 I559 R735	N555-L558 PolarHBondContact O-N 3.29Å; N555-I559 WeakPolarHBondContact O-CG1 3.33Å; N555-I559 PolarHBondContact O-N 3.43Å; N555-R735 PolarHBondContact OD1-NH2 3.37Å
556	K	75.4	Confident	72.9	Confident	99 Å²	99	31.3 Å²	31.3	43%	0.43	15%	0.152	S	C	.	.	H	α-helix	trans	-67.9	-40.6	176.2	-60.7	-173.7	-153.6	127.5	0	111.6	C552 I559 M560	C552-K556 WeakPolarHBondContact O-CB 3.49Å; C552-K556 WeakPolarHBondContact O-CD 3.31Å; C552-K556 WeakPolarHBondContact O-CE 3.32Å; C552-K556 WeakPolarHBondContact O-CG 3.22Å; C552-K556 PolarHBondContact O-NZ 3.37Å; K556-I559 PolarHBondContact O-N 2.78Å; K556-M560 WeakPolarHBondContact O-CG 3.5Å; K556-M560 PolarHBondContact O-N 3.16Å; K556-M560 VanDerWaalsContact O-N 3.1Å
557	G	79.7	Confident	72.2	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-46	174.4	0	0	0	0	0	112.5	D553 T554 I559 M560 D561 F733	D553-G557 PolarHBondContact O-N 2.95Å; T554-G557 PolarHBondContact O-N 3.42Å; G557-I559 VanDerWaalsContact C-N 3.32Å; G557-I559 PolarHBondContact O-N 2.92Å; G557-M560 PolarHBondContact O-N 3.02Å; G557-M560 VanDerWaalsContact O-N 3.15Å; G557-D561 PolarHBondContact O-N 2.96Å; G557-F733 VanDerWaalsContact C-CZ 3.44Å
558	L	84.9	Confident	71.3	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-33.8	175.9	-71.5	169.8	0	0	0	112.8	T554 N555 M560 A562 F651 F730 F733	T554-L558 HydrophobicContact CG2-CD1 4.12Å; T554-L558 WeakPolarHBondContact O-CB 3.28Å; T554-L558 VanDerWaalsContact O-CG 3.27Å; T554-L558 WeakPolarHBondContact O-CG 3.1Å; T554-L558 PolarHBondContact O-N 3.47Å; N555-L558 PolarHBondContact O-N 3.29Å; L558-M560 VanDerWaalsContact C-N 3.34Å; L558-A562 WeakPolarHBondContact O-CB 3.4Å; L558-F651 HydrophobicContact CB-CE1 4.32Å; L558-F651 HydrophobicContact CB-CZ 4.17Å; L558-F651 HydrophobicContact CD2-CB 4.43Å; L558-F651 HydrophobicContact CD2-CD1 3.79Å; L558-F651 HydrophobicContact CD2-CD2 3.61Å; L558-F651 HydrophobicContact CD2-CE1 3.9Å; L558-F651 HydrophobicContact CD2-CE2 3.71Å; L558-F651 HydrophobicContact CD2-CG 3.65Å; L558-F651 HydrophobicContact CD2-CZ 3.85Å; L558-F651 WeakPolarHBondContact O-CE1 3.44Å; L558-F651 VanDerWaalsContact O-CZ 3.25Å; L558-F651 WeakPolarHBondContact O-CZ 3.25Å; L558-F730 HydrophobicContact CD1-CE2 4.07Å; L558-F730 HydrophobicContact CD1-CZ 4.45Å; L558-F733 HydrophobicContact CD2-CD1 3.78Å; L558-F733 HydrophobicContact CD2-CD2 3.9Å; L558-F733 HydrophobicContact CD2-CE1 3.86Å; L558-F733 HydrophobicContact CD2-CE2 3.97Å; L558-F733 HydrophobicContact CD2-CG 3.81Å; L558-F733 HydrophobicContact CD2-CZ 3.96Å; L558-F733 HydrophobicContact CG-CD2 4.03Å; L558-F733 HydrophobicContact CG-CE2 3.9Å; L558-F733 HydrophobicContact CG-CG 4.45Å; L558-F733 HydrophobicContact CG-CZ 4.22Å
559	I	77.9	Confident	70.5	Confident	39 Å²	39	37.2 Å²	37.2	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-38.2	173.3	-73.3	165.1	0	0	0	111.1	N555 K556 G557 V1026 I1030	N555-I559 WeakPolarHBondContact O-CG1 3.33Å; N555-I559 PolarHBondContact O-N 3.43Å; K556-I559 PolarHBondContact O-N 2.78Å; G557-I559 VanDerWaalsContact C-N 3.32Å; G557-I559 PolarHBondContact O-N 2.92Å; I559-V1026 VanDerWaalsContact O-CG1 3.31Å; I559-V1026 WeakPolarHBondContact O-CG1 3.31Å; I559-I1030 HydrophobicContact CG2-CD1 3.92Å
560	M	74.5	Confident	69.8	Low	36 Å²	36	41 Å²	41	18%	0.177	20%	0.203	C	C	.	.	H	α-helix	trans	-82	-40.6	-172.8	-61.5	-79.4	-75.4	0	0	113.5	K556 G557 L558 A562 V583 N584 S1023	K556-M560 WeakPolarHBondContact O-CG 3.5Å; K556-M560 PolarHBondContact O-N 3.16Å; K556-M560 VanDerWaalsContact O-N 3.1Å; G557-M560 PolarHBondContact O-N 3.02Å; G557-M560 VanDerWaalsContact O-N 3.15Å; L558-M560 VanDerWaalsContact C-N 3.34Å; M560-A562 PolarHBondContact O-N 3.31Å; M560-V583 WeakPolarHBondContact CB-O 3.16Å; M560-V583 HydrophobicContact CE-CB 4.17Å; M560-V583 HydrophobicContact CE-CG1 4.15Å; M560-N584 HydrophobicContact CG-CB 4.39Å; M560-S1023 VanDerWaalsContact CE-CB 3.47Å
561	D	80.9	Confident	69.4	Low	6 Å²	6	41.4 Å²	41.4	3%	0.032	20%	0.204	C	C	.	.	H	α-helix	trans	-76.6	-8.2	178	-165.4	25.9	0	0	0	112.7	G557 S563 S566 K588 G650 F651 F733	G557-D561 PolarHBondContact O-N 2.96Å; D561-S563 PolarHBondContact O-N 2.79Å; D561-S563 VanDerWaalsContact O-N 3.16Å; D561-S566 PolarHBondContact O-OG 3.47Å; D561-S566 VanDerWaalsContact OD1-CB 3.22Å; D561-S566 WeakPolarHBondContact OD1-CB 3.47Å; D561-S566 PolarHBondContact OD1-OG 3.15Å; D561-S566 VanDerWaalsContact OD1-OG 3.08Å; D561-K588 WeakPolarHBondContact OD2-CD 3.44Å; D561-K588 WeakPolarHBondContact OD2-CE 3.39Å; D561-K588 IonicContact OD2-NZ 2.81Å; D561-K588 PolarHBondContact OD2-NZ 2.9Å; D561-G650 VanDerWaalsContact CG-CA 3.4Å; D561-G650 VanDerWaalsContact O-CA 3.25Å; D561-G650 WeakPolarHBondContact O-CA 3.4Å; D561-G650 WeakPolarHBondContact OD1-CA 3.38Å; D561-G650 PolarHBondContact OD1-N 2.97Å; D561-G650 WeakPolarHBondContact OD2-CA 3.39Å; D561-G650 PolarHBondContact OD2-N 3.17Å; D561-F651 HydrophobicContact CB-CD1 4.13Å; D561-F651 HydrophobicContact CB-CE1 4.43Å; D561-F733 HydrophobicContact CB-CE1 4.11Å; D561-F733 HydrophobicContact CB-CZ 4.26Å
562	A	79.5	Confident	68.9	Low	1 Å²	1	50.9 Å²	50.9	1%	0.008	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10	175.4	0	0	0	0	0	114	L558 M560 R564 F651 F674 I675 E676	L558-A562 WeakPolarHBondContact O-CB 3.4Å; M560-A562 PolarHBondContact O-N 3.31Å; A562-R564 PolarHBondContact O-N 3.01Å; A562-F651 HydrophobicContact CB-CE1 3.95Å; A562-F651 HydrophobicContact CB-CZ 4.1Å; A562-F674 HydrophobicContact CB-CD1 3.8Å; A562-F674 HydrophobicContact CB-CE1 3.84Å; A562-I675 WeakPolarHBondContact O-CA 3.29Å; A562-E676 HydrophobicContact CB-CB 4.33Å; A562-E676 PolarHBondContact O-N 2.89Å
563	S	74.5	Confident	68.8	Low	5 Å²	5	51.8 Å²	51.8	4%	0.035	24%	0.241	C	C	.	.			trans	-53.8	133.5	179	-169.6	0	0	0	0	112.6	D561 H565 S566 R673 E676 V1026	D561-S563 PolarHBondContact O-N 2.79Å; D561-S563 VanDerWaalsContact O-N 3.16Å; S563-H565 PolarHBondContact O-N 2.85Å; S563-H565 VanDerWaalsContact O-N 3.1Å; S563-H565 PolarHBondContact OG-N 3.47Å; S563-S566 PolarHBondContact O-N 2.64Å; S563-S566 PolarHBondContact O-OG 3.37Å; S563-R673 PolarHBondContact O-NH2 3.01Å; S563-E676 WeakPolarHBondContact CA-OE2 3.26Å; S563-V1026 WeakPolarHBondContact OG-CG2 3.47Å
564	R	68.5	Low	68.3	Low	89 Å²	89	49.1 Å²	49.1	34%	0.336	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.7	168.5	-179.7	-172.6	-71.3	-118.2	1.5	111.2	A562 R673 I675 E676 D677 T679	A562-R564 PolarHBondContact O-N 3.01Å; R564-R673 PolarHBondContact O-NH1 3.34Å; R564-R673 PolarHBondContact O-NH2 3.49Å; R564-I675 HydrophobicContact CB-CG2 4.05Å; R564-E676 PolarHBondContact N-OE1 3.01Å; R564-E676 VanDerWaalsContact N-OE1 3.15Å; R564-D677 IonicContact CZ-OD2 2.68Å; R564-D677 IonicContact NE-OD2 2.76Å; R564-D677 PolarHBondContact NE-OD2 3.07Å; R564-D677 VanDerWaalsContact NH2-CG 3.33Å; R564-D677 IonicContact NH2-OD1 2.67Å; R564-D677 PolarHBondContact NH2-OD1 3.13Å; R564-D677 IonicContact NH2-OD2 2.67Å; R564-D677 PolarHBondContact NH2-OD2 2.86Å; R564-T679 PolarHBondContact NH2-OG1 3.48Å
565	H	59.6	Low	67.6	Low	90 Å²	90	50.5 Å²	50.5	42%	0.417	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	13.5	-177.3	-51	-91.7	0	0	0	113.5	S563 K567	S563-H565 PolarHBondContact O-N 2.85Å; S563-H565 VanDerWaalsContact O-N 3.1Å; S563-H565 PolarHBondContact OG-N 3.47Å; H565-K567 PolarHBondContact O-N 3.41Å
566	S	59.3	Low	66.9	Low	15 Å²	15	50.2 Å²	50.2	11%	0.105	23%	0.232	C	C	.	.			trans	-57.6	133	163.3	63.9	0	0	0	0	107.9	D561 S563 P649 G650 R673	D561-S566 PolarHBondContact O-OG 3.47Å; D561-S566 VanDerWaalsContact OD1-CB 3.22Å; D561-S566 WeakPolarHBondContact OD1-CB 3.47Å; D561-S566 PolarHBondContact OD1-OG 3.15Å; D561-S566 VanDerWaalsContact OD1-OG 3.08Å; S563-S566 PolarHBondContact O-N 2.64Å; S563-S566 PolarHBondContact O-OG 3.37Å; S566-P649 WeakPolarHBondContact O-CB 3.17Å; S566-G650 PolarHBondContact OG-N 3.43Å; S566-R673 PolarHBondContact OG-NH2 3.28Å
567	K	55.4	Low	66.4	Low	129 Å²	129	45.5 Å²	45.5	56%	0.561	21%	0.212	S	C	*	.			trans	-146.1	130.9	171.1	-78.2	-176.8	-178.2	172.2	0	104.7	H565 E569	H565-K567 PolarHBondContact O-N 3.41Å; K567-E569 HydrophobicContact CB-CG 3.49Å; K567-E569 VanDerWaalsContact CB-CG 3.49Å; K567-E569 HydrophobicContact CD-CG 4.14Å; K567-E569 HydrophobicContact CG-CG 4.49Å; K567-E569 PolarHBondContact O-N 2.96Å
568	I	54.1	Low	65.6	Low	54 Å²	54	47.4 Å²	47.4	28%	0.277	22%	0.222	S	C	.	.			trans	-74.5	80.7	156.4	-60.1	169.3	0	0	0	103.8	L585 K588 M646	I568-L585 HydrophobicContact CG1-CD2 4.32Å; I568-K588 HydrophobicContact CD1-CD 4.41Å; I568-M646 VanDerWaalsContact CD1-O 3.23Å; I568-M646 WeakPolarHBondContact CD1-O 3.44Å
569	E	53.1	Low	64.3	Low	64 Å²	64	47.8 Å²	47.8	30%	0.299	22%	0.224	S	C	.	.			trans	-66	139.6	176.9	-61.1	-166	-146.3	0	0	108.1	K567 I571 Y580 R1022	K567-E569 HydrophobicContact CB-CG 3.49Å; K567-E569 VanDerWaalsContact CB-CG 3.49Å; K567-E569 HydrophobicContact CD-CG 4.14Å; K567-E569 HydrophobicContact CG-CG 4.49Å; K567-E569 PolarHBondContact O-N 2.96Å; E569-I571 PolarHBondContact O-N 2.87Å; E569-I571 VanDerWaalsContact O-N 3.12Å; E569-Y580 HydrophobicContact CB-CE2 4.45Å; E569-Y580 WeakPolarHBondContact CB-OH 3.32Å; E569-R1022 IonicContact OE1-CZ 2.75Å; E569-R1022 VanDerWaalsContact OE1-CZ 3.27Å; E569-R1022 IonicContact OE1-NH1 3.42Å; E569-R1022 PolarHBondContact OE1-NH1 3.04Å; E569-R1022 IonicContact OE1-NH2 2.67Å; E569-R1022 PolarHBondContact OE1-NH2 2.97Å
570	T	57	Low	63.4	Low	89 Å²	89	47 Å²	47	55%	0.546	22%	0.219	S	C	.	.			trans	-52.4	120.8	172.6	-49.3	0	0	0	0	108.5	N519 R572	N519-T570 VanDerWaalsContact OD1-CA 3.23Å; N519-T570 WeakPolarHBondContact OD1-CA 3.49Å; N519-T570 WeakPolarHBondContact OD1-CG2 3.29Å; T570-R572 WeakPolarHBondContact O-CG 3.36Å; T570-R572 PolarHBondContact O-N 3.15Å
571	I	59.2	Low	62.7	Low	11 Å²	11	49.1 Å²	49.1	6%	0.056	23%	0.225	C	C	.	.			trans	-65.9	108	173.5	-70.1	159.6	0	0	0	106.4	W518 N519 F521 F522 E569 N573 D576 I577 Y580	W518-I571 HydrophobicContact CB-CB 4.34Å; W518-I571 HydrophobicContact CB-CG2 3.65Å; W518-I571 WeakPolarHBondContact O-CD1 3.38Å; N519-I571 PolarHBondContact OD1-N 2.97Å; F521-I571 HydrophobicContact CB-CD1 4.44Å; F522-I571 HydrophobicContact CD2-CD1 4.18Å; F522-I571 HydrophobicContact CE2-CD1 3.85Å; E569-I571 PolarHBondContact O-N 2.87Å; E569-I571 VanDerWaalsContact O-N 3.12Å; I571-N573 WeakPolarHBondContact CG2-O 3.42Å; I571-D576 HydrophobicContact CG2-CB 4.32Å; I571-I577 HydrophobicContact CD1-CG1 3.87Å; I571-I577 HydrophobicContact CG1-CG1 4.45Å; I571-I577 HydrophobicContact CG2-CD1 4.44Å; I571-I577 HydrophobicContact CG2-CG1 4.07Å; I571-Y580 HydrophobicContact CG1-CD2 4.3Å
572	R	59.1	Low	61.3	Low	225 Å²	225	50.1 Å²	50.1	85%	0.849	23%	0.231	S	C	*	.			trans	-97	-38.7	-174.5	-74.6	175.8	-176	-171.3	1.4	110.9	T570 D576	T570-R572 WeakPolarHBondContact O-CG 3.36Å; T570-R572 PolarHBondContact O-N 3.15Å; R572-D576 PolarHBondContact N-OD2 3.14Å
573	N	63	Low	60	Low	45 Å²	45	51.1 Å²	51.1	24%	0.241	24%	0.237	C	C	.	.	S	Bend	trans	-114.3	133.9	171.4	-174.1	15.2	0	0	0	107.1	I571 I575 D576	I571-N573 WeakPolarHBondContact CG2-O 3.42Å; N573-I575 PolarHBondContact O-N 2.82Å; N573-I575 VanDerWaalsContact O-N 3.17Å; N573-D576 PolarHBondContact N-OD2 3.44Å; N573-D576 WeakPolarHBondContact O-CA 3.38Å; N573-D576 WeakPolarHBondContact O-CB 3.25Å; N573-D576 PolarHBondContact O-N 3.16Å; N573-D576 VanDerWaalsContact O-OD2 3.05Å
574	P	61.6	Low	59.1	Low	3 Å²	3	53.9 Å²	53.9	2%	0.019	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.2	-176.7	-22.9	37	0	0	0	113.3	K325 W518 D576 I577	K325-P574 VanDerWaalsContact C-CB 3.45Å; K325-P574 WeakPolarHBondContact O-CB 3.48Å; W518-P574 VanDerWaalsContact CD1-CG 3.44Å; W518-P574 HydrophobicContact CD2-CB 3.71Å; W518-P574 HydrophobicContact CD2-CG 4.01Å; W518-P574 HydrophobicContact CE3-CB 4.27Å; W518-P574 HydrophobicContact CG-CB 3.95Å; W518-P574 HydrophobicContact CG-CG 3.9Å; W518-P574 HydrophobicContact CH2-CB 4.49Å; W518-P574 HydrophobicContact CZ2-CB 3.97Å; W518-P574 HydrophobicContact CZ2-CG 4.21Å; P574-D576 PolarHBondContact O-N 2.91Å; P574-I577 VanDerWaalsContact O-CB 3.31Å; P574-I577 WeakPolarHBondContact O-CB 3.48Å; P574-I577 WeakPolarHBondContact O-CD1 3.44Å; P574-I577 WeakPolarHBondContact O-CG1 3.42Å; P574-I577 PolarHBondContact O-N 3.33Å; P574-I577 VanDerWaalsContact O-N 3.16Å
575	I	65.8	Low	58.8	Low	29 Å²	29	50.5 Å²	50.5	15%	0.149	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.5	165.7	-56.1	-177.1	0	0	0	111.5	K325 Y327 N573 I577 D578	K325-I575 PolarHBondContact O-N 3.25Å; Y327-I575 HydrophobicContact CD1-CD1 4.5Å; Y327-I575 HydrophobicContact CD1-CG1 4.48Å; Y327-I575 HydrophobicContact CE1-CD1 3.74Å; Y327-I575 HydrophobicContact CE1-CG1 3.71Å; N573-I575 PolarHBondContact O-N 2.82Å; N573-I575 VanDerWaalsContact O-N 3.17Å; I575-I577 PolarHBondContact O-N 3.12Å; I575-D578 PolarHBondContact O-N 3.25Å
576	D	61.7	Low	59.5	Low	24 Å²	24	48.7 Å²	48.7	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-19.5	179.5	-53.6	-27.4	0	0	0	112.9	I571 R572 N573 P574 I579 Y580	I571-D576 HydrophobicContact CG2-CB 4.32Å; R572-D576 PolarHBondContact N-OD2 3.14Å; N573-D576 PolarHBondContact N-OD2 3.44Å; N573-D576 WeakPolarHBondContact O-CA 3.38Å; N573-D576 WeakPolarHBondContact O-CB 3.25Å; N573-D576 PolarHBondContact O-N 3.16Å; N573-D576 VanDerWaalsContact O-OD2 3.05Å; P574-D576 PolarHBondContact O-N 2.91Å; D576-I579 HydrophobicContact CB-CD1 4.19Å; D576-I579 VanDerWaalsContact O-CB 3.32Å; D576-I579 WeakPolarHBondContact O-CB 3.5Å; D576-I579 WeakPolarHBondContact O-CG1 3.49Å; D576-I579 PolarHBondContact O-N 2.89Å; D576-Y580 HydrophobicContact CB-CD2 4.05Å; D576-Y580 HydrophobicContact CB-CE2 3.88Å; D576-Y580 WeakPolarHBondContact O-CD2 3.36Å; D576-Y580 PolarHBondContact O-N 3.47Å
577	I	64.3	Low	60.6	Low	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-45.7	-177.4	-71.1	166.3	0	0	0	113	K325 W518 F521 I571 P574 I575 I579 Y580 R581	K325-I577 HydrophobicContact CD-CB 4.34Å; K325-I577 HydrophobicContact CD-CG2 4.28Å; K325-I577 HydrophobicContact CG-CB 4.14Å; K325-I577 HydrophobicContact CG-CD1 4.32Å; K325-I577 HydrophobicContact CG-CG2 4.3Å; W518-I577 HydrophobicContact CB-CD1 4.27Å; W518-I577 HydrophobicContact CD2-CD1 4.12Å; W518-I577 HydrophobicContact CE3-CD1 3.38Å; W518-I577 HydrophobicContact CZ3-CD1 3.99Å; F521-I577 HydrophobicContact CB-CD1 4.09Å; F521-I577 HydrophobicContact CB-CG1 4.45Å; F521-I577 HydrophobicContact CD1-CD1 4.35Å; F521-I577 HydrophobicContact CD1-CG1 4.31Å; F521-I577 HydrophobicContact CD1-CG2 3.54Å; F521-I577 HydrophobicContact CD2-CD1 3.83Å; F521-I577 HydrophobicContact CD2-CG2 4.37Å; F521-I577 HydrophobicContact CE1-CG2 3.33Å; F521-I577 HydrophobicContact CE2-CD1 4.39Å; F521-I577 HydrophobicContact CE2-CG2 4.18Å; F521-I577 HydrophobicContact CG-CD1 3.81Å; F521-I577 HydrophobicContact CG-CG1 4.21Å; F521-I577 HydrophobicContact CG-CG2 4.08Å; F521-I577 HydrophobicContact CZ-CG2 3.67Å; I571-I577 HydrophobicContact CD1-CG1 3.87Å; I571-I577 HydrophobicContact CG1-CG1 4.45Å; I571-I577 HydrophobicContact CG2-CD1 4.44Å; I571-I577 HydrophobicContact CG2-CG1 4.07Å; P574-I577 VanDerWaalsContact O-CB 3.31Å; P574-I577 WeakPolarHBondContact O-CB 3.48Å; P574-I577 WeakPolarHBondContact O-CD1 3.44Å; P574-I577 WeakPolarHBondContact O-CG1 3.42Å; P574-I577 PolarHBondContact O-N 3.33Å; P574-I577 VanDerWaalsContact O-N 3.16Å; I575-I577 PolarHBondContact O-N 3.12Å; I577-I579 PolarHBondContact O-N 2.91Å; I577-Y580 CarbonylContact O-C 3.52Å; I577-Y580 PolarHBondContact O-N 2.92Å; I577-R581 HydrophobicContact CG2-CG 4.49Å; I577-R581 PolarHBondContact O-N 3.18Å
578	D	63.2	Low	62.1	Low	41 Å²	41	42.1 Å²	42.1	22%	0.219	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-41.3	178.7	-73.1	-32.7	0	0	0	109.9	K325 I575 Y580 R581 T582	K325-D578 VanDerWaalsContact CD-CG 3.41Å; K325-D578 WeakPolarHBondContact CD-OD1 3.33Å; K325-D578 WeakPolarHBondContact CD-OD2 3.26Å; K325-D578 WeakPolarHBondContact CE-OD1 3.39Å; K325-D578 WeakPolarHBondContact CE-OD2 3.43Å; K325-D578 IonicContact NZ-OD1 3.11Å; K325-D578 PolarHBondContact NZ-OD1 3.24Å; K325-D578 IonicContact NZ-OD2 3.27Å; K325-D578 PolarHBondContact NZ-OD2 2.89Å; I575-D578 PolarHBondContact O-N 3.25Å; D578-Y580 VanDerWaalsContact C-N 3.33Å; D578-Y580 PolarHBondContact O-N 2.85Å; D578-R581 WeakPolarHBondContact O-CB 3.2Å; D578-R581 PolarHBondContact O-N 2.97Å; D578-T582 PolarHBondContact O-N 3.42Å
579	I	57.3	Low	63.7	Low	9 Å²	9	39.6 Å²	39.6	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-55.4	-49.6	174.9	-30.2	177	0	0	0	111.3	D576 I577 T582 P1015 Y1016 P1019	D576-I579 HydrophobicContact CB-CD1 4.19Å; D576-I579 VanDerWaalsContact O-CB 3.32Å; D576-I579 WeakPolarHBondContact O-CB 3.5Å; D576-I579 WeakPolarHBondContact O-CG1 3.49Å; D576-I579 PolarHBondContact O-N 2.89Å; I577-I579 PolarHBondContact O-N 2.91Å; I579-T582 PolarHBondContact O-N 2.94Å; I579-T582 PolarHBondContact O-OG1 2.96Å; I579-P1015 HydrophobicContact CD1-CB 4.42Å; I579-Y1016 WeakPolarHBondContact CG2-O 3.27Å; I579-P1019 HydrophobicContact CB-CG 4.33Å; I579-P1019 HydrophobicContact CG2-CB 4.09Å; I579-P1019 HydrophobicContact CG2-CG 3.37Å
580	Y	59.5	Low	65.5	Low	23 Å²	23	37.4 Å²	37.4	9%	0.09	18%	0.177	C	C	.	.	H	α-helix	trans	-77.1	-19.2	-179.1	-71.3	-53.2	0	0	0	113.9	F522 E569 I571 D576 I577 D578 V583 L585 P1019	F522-Y580 HydrophobicContact CE2-CG 4.44Å; E569-Y580 HydrophobicContact CB-CE2 4.45Å; E569-Y580 WeakPolarHBondContact CB-OH 3.32Å; I571-Y580 HydrophobicContact CG1-CD2 4.3Å; D576-Y580 HydrophobicContact CB-CD2 4.05Å; D576-Y580 HydrophobicContact CB-CE2 3.88Å; D576-Y580 WeakPolarHBondContact O-CD2 3.36Å; D576-Y580 PolarHBondContact O-N 3.47Å; I577-Y580 CarbonylContact O-C 3.52Å; I577-Y580 PolarHBondContact O-N 2.92Å; D578-Y580 VanDerWaalsContact C-N 3.33Å; D578-Y580 PolarHBondContact O-N 2.85Å; Y580-V583 HydrophobicContact CD1-CG2 4.25Å; Y580-V583 VanDerWaalsContact O-CG2 3.27Å; Y580-V583 WeakPolarHBondContact O-CG2 3.09Å; Y580-L585 HydrophobicContact CD1-CD1 3.8Å; Y580-L585 HydrophobicContact CG-CD1 4.18Å; Y580-P1019 HydrophobicContact CD1-CG 4.18Å; Y580-P1019 HydrophobicContact CE1-CG 3.9Å
581	R	59.7	Low	67.1	Low	80 Å²	80	33.4 Å²	33.4	30%	0.302	15%	0.152	S	C	.	.	H	α-helix	trans	-64.6	-40.7	166.6	-82.8	-178.9	155.9	-177.1	-9	111.3	F522 D525 I577 D578 V583 N584	F522-R581 HydrophobicContact CE1-CG 3.84Å; F522-R581 HydrophobicContact CZ-CG 4.45Å; D525-R581 IonicContact OD1-NH2 3.91Å; D525-R581 PolarHBondContact OD1-NH2 3.49Å; D525-R581 IonicContact OD2-CZ 2.63Å; D525-R581 IonicContact OD2-NE 2.81Å; D525-R581 PolarHBondContact OD2-NE 3.31Å; D525-R581 IonicContact OD2-NH2 2.82Å; D525-R581 PolarHBondContact OD2-NH2 3.47Å; I577-R581 HydrophobicContact CG2-CG 4.49Å; I577-R581 PolarHBondContact O-N 3.18Å; D578-R581 WeakPolarHBondContact O-CB 3.2Å; D578-R581 PolarHBondContact O-N 2.97Å; R581-V583 PolarHBondContact O-N 3.46Å; R581-N584 PolarHBondContact O-N 3.19Å; R581-N584 VanDerWaalsContact O-N 3.12Å
582	T	52.7	Low	68.7	Low	27 Å²	27	33.2 Å²	33.2	17%	0.166	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.7	179.3	69.7	0	0	0	0	114.1	D578 I579 D984 K988	D578-T582 PolarHBondContact O-N 3.42Å; I579-T582 PolarHBondContact O-N 2.94Å; I579-T582 PolarHBondContact O-OG1 2.96Å; T582-D984 WeakPolarHBondContact CB-OD1 3.44Å; T582-D984 HydrophobicContact CG2-CB 4.25Å; T582-D984 WeakPolarHBondContact CG2-OD1 3.29Å; T582-K988 PolarHBondContact O-NZ 3.42Å
583	V	51	Low	70.3	Confident	21 Å²	21	22.5 Å²	22.5	13%	0.127	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	15.7	-177.8	-74.1	0	0	0	0	114.7	M560 Y580 R581 L585 P1019	M560-V583 WeakPolarHBondContact CB-O 3.16Å; M560-V583 HydrophobicContact CE-CB 4.17Å; M560-V583 HydrophobicContact CE-CG1 4.15Å; Y580-V583 HydrophobicContact CD1-CG2 4.25Å; Y580-V583 VanDerWaalsContact O-CG2 3.27Å; Y580-V583 WeakPolarHBondContact O-CG2 3.09Å; R581-V583 PolarHBondContact O-N 3.46Å; V583-L585 HydrophobicContact CG2-CD1 3.79Å; V583-L585 HydrophobicContact CG2-CG 3.98Å; V583-L585 PolarHBondContact O-N 3.39Å; V583-L585 VanDerWaalsContact O-N 3.13Å; V583-P1019 HydrophobicContact CB-CB 4.48Å; V583-P1019 HydrophobicContact CG1-CB 3.56Å; V583-P1019 WeakPolarHBondContact CG1-O 3.44Å; V583-P1019 HydrophobicContact CG2-CB 4.03Å
584	N	56.1	Low	71.7	Confident	63 Å²	63	21 Å²	21	34%	0.337	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	26.9	176	-75.4	-7.8	0	0	0	115.3	M560 R581 F586 A587	M560-N584 HydrophobicContact CG-CB 4.39Å; R581-N584 PolarHBondContact O-N 3.19Å; R581-N584 VanDerWaalsContact O-N 3.12Å; N584-F586 PolarHBondContact O-N 2.99Å; N584-A587 PolarHBondContact O-N 3.13Å; N584-A587 VanDerWaalsContact O-N 3.16Å
585	L	62.8	Low	73.3	Confident	19 Å²	19	21 Å²	21	10%	0.099	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.9	174.4	-75.9	168.9	0	0	0	113.7	I568 Y580 V583 P589	I568-L585 HydrophobicContact CG1-CD2 4.32Å; Y580-L585 HydrophobicContact CD1-CD1 3.8Å; Y580-L585 HydrophobicContact CG-CD1 4.18Å; V583-L585 HydrophobicContact CG2-CD1 3.79Å; V583-L585 HydrophobicContact CG2-CG 3.98Å; V583-L585 PolarHBondContact O-N 3.39Å; V583-L585 VanDerWaalsContact O-N 3.13Å; L585-P589 WeakPolarHBondContact O-CD 3.4Å
586	F	73.3	Confident	74.7	Confident	51 Å²	51	19.7 Å²	19.7	22%	0.224	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-39.9	171.1	169	-88.8	0	0	0	114.4	A526 T529 N584 K588 P589 Y590	A526-F586 HydrophobicContact CB-CD2 4.27Å; A526-F586 HydrophobicContact CB-CE2 4.05Å; T529-F586 HydrophobicContact CG2-CE2 4.42Å; T529-F586 HydrophobicContact CG2-CZ 3.77Å; T529-F586 VanDerWaalsContact OG1-CE2 3.28Å; T529-F586 WeakPolarHBondContact OG1-CE2 3.33Å; T529-F586 WeakPolarHBondContact OG1-CZ 3.49Å; N584-F586 PolarHBondContact O-N 2.99Å; F586-K588 VanDerWaalsContact C-N 3.28Å; F586-K588 PolarHBondContact O-N 3.12Å; F586-P589 VanDerWaalsContact O-CD 3.22Å; F586-P589 WeakPolarHBondContact O-CD 3.04Å; F586-P589 VanDerWaalsContact O-CG 3.31Å; F586-P589 WeakPolarHBondContact O-CG 3.35Å; F586-Y590 HydrophobicContact CE1-CD2 4.15Å; F586-Y590 HydrophobicContact CE1-CG 4.09Å; F586-Y590 AromaticContact CZ-CD2 3.81Å; F586-Y590 HydrophobicContact CZ-CD2 3.81Å; F586-Y590 HydrophobicContact CZ-CG 4.16Å; F586-Y590 PolarHBondContact O-N 2.94Å
587	A	81.8	Confident	76.3	Confident	4 Å²	4	19.6 Å²	19.6	3%	0.033	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-33.7	-169	0	0	0	0	0	112.5	N584 Y590 H591 F733	N584-A587 PolarHBondContact O-N 3.13Å; N584-A587 VanDerWaalsContact O-N 3.16Å; A587-Y590 PolarHBondContact O-N 3.25Å; A587-H591 WeakPolarHBondContact O-CB 3.33Å; A587-H591 PolarHBondContact O-CD2 2.87Å; A587-H591 PolarHBondContact O-N 3.3Å; A587-F733 HydrophobicContact CB-CD2 4.43Å; A587-F733 HydrophobicContact CB-CE2 3.72Å; A587-F733 HydrophobicContact CB-CZ 4.48Å
588	K	87.3	Confident	77.7	Confident	2 Å²	2	23.1 Å²	23.1	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-58	-179.3	-177.3	-175.4	-158	161.7	0	113.8	D561 I568 F586 Y590 H591 M592 W645 K648 G650 F733	D561-K588 WeakPolarHBondContact OD2-CD 3.44Å; D561-K588 WeakPolarHBondContact OD2-CE 3.39Å; D561-K588 IonicContact OD2-NZ 2.81Å; D561-K588 PolarHBondContact OD2-NZ 2.9Å; I568-K588 HydrophobicContact CD1-CD 4.41Å; F586-K588 VanDerWaalsContact C-N 3.28Å; F586-K588 PolarHBondContact O-N 3.12Å; K588-Y590 VanDerWaalsContact C-N 3.29Å; K588-Y590 PolarHBondContact O-N 3.35Å; K588-H591 PolarHBondContact O-N 3.12Å; K588-M592 WeakPolarHBondContact O-CB 3.28Å; K588-M592 PolarHBondContact O-N 2.69Å; K588-W645 VanDerWaalsContact CE-O 3.3Å; K588-W645 WeakPolarHBondContact CE-O 3.12Å; K588-W645 HydrophobicContact CG-CE3 4.17Å; K588-K648 PolarHBondContact NZ-O 3.38Å; K588-G650 WeakPolarHBondContact CE-O 3.3Å; K588-G650 PolarHBondContact NZ-O 2.87Å; K588-F733 HydrophobicContact CB-CD1 3.78Å; K588-F733 HydrophobicContact CB-CD2 4.49Å; K588-F733 HydrophobicContact CB-CE1 3.62Å; K588-F733 HydrophobicContact CB-CE2 4.36Å; K588-F733 HydrophobicContact CB-CG 4.21Å; K588-F733 HydrophobicContact CB-CZ 3.92Å; K588-F733 HydrophobicContact CD-CD1 4.45Å; K588-F733 HydrophobicContact CD-CE1 4.29Å; K588-F733 HydrophobicContact CG-CD1 3.69Å; K588-F733 HydrophobicContact CG-CE1 3.86Å; K588-F733 HydrophobicContact CG-CG 4.35Å
589	P	89.3	Confident	79.3	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.013	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-36.4	174.8	20.9	-30.2	0	0	0	112.3	F522 I523 A526 L585 F586 M592 L593 M646	F522-P589 HydrophobicContact CB-CG 4.41Å; F522-P589 WeakPolarHBondContact O-CG 3.37Å; I523-P589 HydrophobicContact CB-CB 4.13Å; I523-P589 HydrophobicContact CG1-CB 4.39Å; A526-P589 HydrophobicContact CB-CB 3.81Å; A526-P589 HydrophobicContact CB-CG 3.82Å; L585-P589 WeakPolarHBondContact O-CD 3.4Å; F586-P589 VanDerWaalsContact O-CD 3.22Å; F586-P589 WeakPolarHBondContact O-CD 3.04Å; F586-P589 VanDerWaalsContact O-CG 3.31Å; F586-P589 WeakPolarHBondContact O-CG 3.35Å; P589-M592 PolarHBondContact O-N 3.04Å; P589-L593 WeakPolarHBondContact O-CB 3.41Å; P589-L593 VanDerWaalsContact O-CG 3.25Å; P589-L593 WeakPolarHBondContact O-CG 3.43Å; P589-L593 PolarHBondContact O-N 3.23Å; P589-M646 HydrophobicContact CB-SD 3.83Å; P589-M646 HydrophobicContact CG-SD 4.41Å
590	Y	90	Very high	81.1	Confident	18 Å²	18	23.3 Å²	23.3	7%	0.071	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-53.9	176.4	175.8	-88.9	0	0	0	111.5	T529 D533 T549 F586 A587 K588 M592 L593 V594	T529-Y590 HydrophobicContact CG2-CE2 4.37Å; D533-Y590 VanDerWaalsContact OD2-CE2 3.24Å; D533-Y590 WeakPolarHBondContact OD2-CE2 3.34Å; D533-Y590 PolarHBondContact OD2-OH 3.06Å; T549-Y590 HydrophobicContact CG2-CE1 3.82Å; F586-Y590 HydrophobicContact CE1-CD2 4.15Å; F586-Y590 HydrophobicContact CE1-CG 4.09Å; F586-Y590 AromaticContact CZ-CD2 3.81Å; F586-Y590 HydrophobicContact CZ-CD2 3.81Å; F586-Y590 HydrophobicContact CZ-CG 4.16Å; F586-Y590 PolarHBondContact O-N 2.94Å; A587-Y590 PolarHBondContact O-N 3.25Å; K588-Y590 VanDerWaalsContact C-N 3.29Å; K588-Y590 PolarHBondContact O-N 3.35Å; Y590-M592 VanDerWaalsContact C-N 3.33Å; Y590-M592 PolarHBondContact O-N 2.85Å; Y590-L593 PolarHBondContact O-N 3.29Å; Y590-L593 VanDerWaalsContact O-N 3.16Å; Y590-V594 HydrophobicContact CD1-CG2 4.18Å; Y590-V594 HydrophobicContact CE1-CG2 3.81Å; Y590-V594 WeakPolarHBondContact O-CG2 3.24Å; Y590-V594 PolarHBondContact O-N 3.05Å
591	H	90.8	Very high	82.7	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-67.8	-30.9	179.8	-81.1	-67.3	0	0	0	113.7	T554 A587 K588 L595 K731 F733	T554-H591 WeakPolarHBondContact CB-NE2 3.45Å; T554-H591 PolarHBondContact OG1-CE1 3.06Å; T554-H591 PolarHBondContact OG1-NE2 2.76Å; A587-H591 WeakPolarHBondContact O-CB 3.33Å; A587-H591 PolarHBondContact O-CD2 2.87Å; A587-H591 PolarHBondContact O-N 3.3Å; K588-H591 PolarHBondContact O-N 3.12Å; H591-L595 PolarHBondContact O-N 3.28Å; H591-L595 VanDerWaalsContact O-N 3.13Å; H591-K731 WeakPolarHBondContact CB-O 3.41Å; H591-K731 PolarHBondContact ND1-O 3.36Å; H591-F733 HydrophobicContact CB-CB 3.81Å; H591-F733 HydrophobicContact CB-CD2 4.27Å; H591-F733 HydrophobicContact CB-CG 4.48Å
592	M	92.1	Very high	84.3	Confident	7 Å²	7	22.3 Å²	22.3	3%	0.034	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-45.8	170	179.4	-77.8	-64.8	0	0	111.1	I523 K588 P589 Y590 L595 L596 V642 W645	I523-M592 HydrophobicContact CD1-CE 3.75Å; K588-M592 WeakPolarHBondContact O-CB 3.28Å; K588-M592 PolarHBondContact O-N 2.69Å; P589-M592 PolarHBondContact O-N 3.04Å; Y590-M592 VanDerWaalsContact C-N 3.33Å; Y590-M592 PolarHBondContact O-N 2.85Å; M592-L595 PolarHBondContact O-N 2.7Å; M592-L596 VanDerWaalsContact O-CB 3.31Å; M592-L596 WeakPolarHBondContact O-CB 3.44Å; M592-L596 PolarHBondContact O-N 2.99Å; M592-L596 HydrophobicContact SD-CB 4.46Å; M592-L596 HydrophobicContact SD-CD2 4.29Å; M592-V642 HydrophobicContact CE-CB 4.41Å; M592-V642 HydrophobicContact CE-CG1 3.94Å; M592-V642 HydrophobicContact CE-CG2 4.02Å; M592-V642 HydrophobicContact SD-CG2 3.89Å; M592-W645 HydrophobicContact CB-CB 4.5Å; M592-W645 HydrophobicContact CB-CG 4.33Å; M592-W645 HydrophobicContact CG-CB 3.88Å; M592-W645 HydrophobicContact CG-CD2 4.29Å; M592-W645 HydrophobicContact CG-CG 3.7Å
593	L	93.9	Very high	86.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-38.6	177.7	-69	170	0	0	0	112.7	A526 L527 P589 Y590 L595 L596 E597 F605 W627	A526-L593 HydrophobicContact CB-CD1 4.34Å; L527-L593 HydrophobicContact CB-CD1 3.81Å; L527-L593 HydrophobicContact CD1-CD1 4.04Å; L527-L593 HydrophobicContact CD1-CD2 4.37Å; P589-L593 WeakPolarHBondContact O-CB 3.41Å; P589-L593 VanDerWaalsContact O-CG 3.25Å; P589-L593 WeakPolarHBondContact O-CG 3.43Å; P589-L593 PolarHBondContact O-N 3.23Å; Y590-L593 PolarHBondContact O-N 3.29Å; Y590-L593 VanDerWaalsContact O-N 3.16Å; L593-L595 PolarHBondContact O-N 3.27Å; L593-L596 HydrophobicContact CD2-CD2 4.38Å; L593-L596 PolarHBondContact O-N 3.04Å; L593-E597 PolarHBondContact O-N 3.35Å; L593-F605 HydrophobicContact CD2-CZ 4.36Å; L593-W627 HydrophobicContact CD2-CH2 3.73Å; L593-W627 HydrophobicContact CD2-CZ2 4.5Å; L593-W627 HydrophobicContact CD2-CZ3 4.19Å
594	V	92.3	Very high	88.4	Confident	13 Å²	13	27.7 Å²	27.7	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-58.8	-44.9	173.3	171.8	0	0	0	0	111.5	Y530 Y590 R598 K731	Y530-V594 HydrophobicContact CD2-CB 4.48Å; Y530-V594 HydrophobicContact CD2-CG2 3.5Å; Y530-V594 VanDerWaalsContact CD2-CG2 3.5Å; Y530-V594 HydrophobicContact CE2-CB 4.41Å; Y530-V594 HydrophobicContact CE2-CG2 3.79Å; Y590-V594 HydrophobicContact CD1-CG2 4.18Å; Y590-V594 HydrophobicContact CE1-CG2 3.81Å; Y590-V594 WeakPolarHBondContact O-CG2 3.24Å; Y590-V594 PolarHBondContact O-N 3.05Å; V594-R598 WeakPolarHBondContact O-CB 3.24Å; V594-R598 WeakPolarHBondContact O-CG 3.42Å; V594-R598 PolarHBondContact O-N 3.01Å; V594-K731 HydrophobicContact CG1-CB 3.97Å; V594-K731 HydrophobicContact CG1-CD 4.42Å; V594-K731 HydrophobicContact CG1-CG 4.29Å
595	L	93.8	Very high	90.2	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-70.6	-36.8	176	-78.4	-179.3	0	0	0	112.5	H591 M592 L593 R598 F599 I690 M692 K731 G732 Y734	H591-L595 PolarHBondContact O-N 3.28Å; H591-L595 VanDerWaalsContact O-N 3.13Å; M592-L595 PolarHBondContact O-N 2.7Å; L593-L595 PolarHBondContact O-N 3.27Å; L595-R598 PolarHBondContact O-N 3.35Å; L595-F599 WeakPolarHBondContact O-CB 3.33Å; L595-F599 PolarHBondContact O-N 2.92Å; L595-I690 HydrophobicContact CB-CB 4.22Å; L595-I690 HydrophobicContact CB-CD1 4.44Å; L595-I690 HydrophobicContact CB-CG2 4.13Å; L595-I690 HydrophobicContact CD1-CB 4.41Å; L595-I690 WeakPolarHBondContact CD1-O 3.33Å; L595-I690 HydrophobicContact CD2-CG2 4.48Å; L595-M692 HydrophobicContact CD2-CB 4.03Å; L595-K731 HydrophobicContact CD2-CB 4.2Å; L595-G732 VanDerWaalsContact CD1-CA 3.42Å; L595-Y734 HydrophobicContact CD1-CE1 4.07Å
596	L	95.9	Very high	91.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-45.5	179.5	-174.1	64.2	0	0	0	111.6	M592 L593 F599 L600 F605 W627 V638 V642 I690	M592-L596 VanDerWaalsContact O-CB 3.31Å; M592-L596 WeakPolarHBondContact O-CB 3.44Å; M592-L596 PolarHBondContact O-N 2.99Å; M592-L596 HydrophobicContact SD-CB 4.46Å; M592-L596 HydrophobicContact SD-CD2 4.29Å; L593-L596 HydrophobicContact CD2-CD2 4.38Å; L593-L596 PolarHBondContact O-N 3.04Å; L596-F599 PolarHBondContact O-N 3.46Å; L596-L600 HydrophobicContact CD1-CD1 3.73Å; L596-L600 HydrophobicContact CD1-CG 4.01Å; L596-L600 HydrophobicContact CG-CD1 3.92Å; L596-L600 HydrophobicContact CG-CG 4.4Å; L596-L600 WeakPolarHBondContact O-CB 3.41Å; L596-L600 VanDerWaalsContact O-CG 3.3Å; L596-L600 WeakPolarHBondContact O-CG 3.43Å; L596-L600 PolarHBondContact O-N 2.91Å; L596-F605 HydrophobicContact CD2-CE2 4.4Å; L596-W627 HydrophobicContact CD2-CZ3 4.47Å; L596-V638 HydrophobicContact CD1-CG1 3.97Å; L596-V638 HydrophobicContact CD1-CG2 4.42Å; L596-V638 HydrophobicContact CD2-CG1 3.85Å; L596-V638 HydrophobicContact CG-CG1 4.46Å; L596-V642 HydrophobicContact CD2-CG2 4.01Å; L596-I690 HydrophobicContact CB-CD1 4.37Å; L596-I690 HydrophobicContact CD1-CD1 4.05Å
597	E	95.2	Very high	92.6	Very high	23 Å²	23	26.3 Å²	26.3	11%	0.107	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-41	175.2	179.9	-96.4	-174.7	0	0	112.2	Y530 K534 L593 F599 L600 G601 D602 F605	Y530-E597 HydrophobicContact CE1-CB 4.27Å; Y530-E597 HydrophobicContact CE1-CG 4.48Å; Y530-E597 WeakPolarHBondContact OH-CB 3.42Å; Y530-E597 WeakPolarHBondContact OH-CG 3.46Å; Y530-E597 PolarHBondContact OH-OE1 2.64Å; Y530-E597 PolarHBondContact OH-OE2 3.21Å; K534-E597 IonicContact NZ-OE1 2.7Å; K534-E597 PolarHBondContact NZ-OE1 3.44Å; L593-E597 PolarHBondContact O-N 3.35Å; E597-F599 PolarHBondContact O-N 3.07Å; E597-L600 PolarHBondContact O-N 3.49Å; E597-G601 CarbonylContact O-C 3.5Å; E597-G601 VanDerWaalsContact O-CA 3.29Å; E597-G601 WeakPolarHBondContact O-CA 3.39Å; E597-G601 PolarHBondContact O-N 3.16Å; E597-D602 WeakPolarHBondContact OE1-CA 3.31Å; E597-F605 HydrophobicContact CB-CB 4.26Å; E597-F605 HydrophobicContact CB-CD1 4.16Å; E597-F605 HydrophobicContact CB-CD2 3.81Å; E597-F605 HydrophobicContact CB-CE1 4.46Å; E597-F605 HydrophobicContact CB-CE2 4.14Å; E597-F605 HydrophobicContact CB-CG 3.82Å; E597-F605 HydrophobicContact CB-CZ 4.45Å; E597-F605 HydrophobicContact CG-CB 3.8Å; E597-F605 HydrophobicContact CG-CD1 4Å; E597-F605 HydrophobicContact CG-CD2 4.29Å; E597-F605 HydrophobicContact CG-CG 3.78Å
598	R	93.9	Very high	93.1	Very high	74 Å²	74	26.1 Å²	26.1	28%	0.279	13%	0.129	S	C	.	.	H	α-helix	trans	-62.6	-29.1	174.2	-77.9	-173.5	172.3	-151.4	-1.6	113.2	E546 V594 L595 F703 D729	E546-R598 IonicContact OE2-NH2 3.13Å; V594-R598 WeakPolarHBondContact O-CB 3.24Å; V594-R598 WeakPolarHBondContact O-CG 3.42Å; V594-R598 PolarHBondContact O-N 3.01Å; L595-R598 PolarHBondContact O-N 3.35Å; R598-F703 HydrophobicContact CB-CE1 4.11Å; R598-F703 HydrophobicContact CB-CZ 3.96Å; R598-F703 WeakPolarHBondContact O-CZ 3.42Å; R598-D729 IonicContact NH1-OD2 2.62Å; R598-D729 PolarHBondContact NH1-OD2 3.08Å
599	F	96	Very high	93.4	Very high	34 Å²	34	26 Å²	26	15%	0.149	13%	0.129	C	C	.	.	H	α-helix	trans	-84.4	-39.7	178.9	178.6	-117.4	0	0	0	113.6	L595 L596 E597 Y636 I690 F703 L705	L595-F599 WeakPolarHBondContact O-CB 3.33Å; L595-F599 PolarHBondContact O-N 2.92Å; L596-F599 PolarHBondContact O-N 3.46Å; E597-F599 PolarHBondContact O-N 3.07Å; F599-Y636 HydrophobicContact CE1-CD1 4.14Å; F599-Y636 AromaticContact CE1-CD2 3.69Å; F599-Y636 HydrophobicContact CE1-CD2 3.69Å; F599-Y636 HydrophobicContact CE1-CE1 4.29Å; F599-Y636 AromaticContact CE1-CE2 3.86Å; F599-Y636 HydrophobicContact CE1-CE2 3.86Å; F599-Y636 AromaticContact CE1-CG 3.85Å; F599-Y636 HydrophobicContact CE1-CG 3.85Å; F599-Y636 HydrophobicContact CZ-CD1 4.02Å; F599-Y636 HydrophobicContact CZ-CD2 4.02Å; F599-Y636 AromaticContact CZ-CE1 3.74Å; F599-Y636 HydrophobicContact CZ-CE1 3.74Å; F599-Y636 AromaticContact CZ-CE2 3.75Å; F599-Y636 HydrophobicContact CZ-CE2 3.75Å; F599-Y636 HydrophobicContact CZ-CG 4.15Å; F599-Y636 AromaticContact CZ-CZ 3.6Å; F599-I690 HydrophobicContact CB-CD1 3.94Å; F599-I690 HydrophobicContact CB-CG2 3.9Å; F599-I690 HydrophobicContact CD1-CD1 3.87Å; F599-I690 HydrophobicContact CD1-CG1 4.19Å; F599-I690 HydrophobicContact CD2-CG2 4.3Å; F599-I690 HydrophobicContact CG-CD1 4.09Å; F599-I690 HydrophobicContact CG-CG1 4.31Å; F599-I690 HydrophobicContact CG-CG2 4.12Å; F599-F703 HydrophobicContact CB-CD1 4.34Å; F599-F703 HydrophobicContact CD2-CB 3.7Å; F599-F703 HydrophobicContact CD2-CD1 4.18Å; F599-F703 AromaticContact CD2-CG 3.98Å; F599-F703 HydrophobicContact CD2-CG 3.98Å; F599-F703 HydrophobicContact CE2-CB 4.05Å; F599-L705 HydrophobicContact CE1-CD2 4.26Å; F599-L705 HydrophobicContact CZ-CB 4.03Å; F599-L705 HydrophobicContact CZ-CD2 4.26Å
600	L	95.7	Very high	93.6	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.105	14%	0.139	C	C	.	.	H	α-helix	trans	-87.7	-21.5	-179.8	-60.3	-176.9	0	0	0	113.8	L596 E597 L604 M630 Y636 V638	L596-L600 HydrophobicContact CD1-CD1 3.73Å; L596-L600 HydrophobicContact CD1-CG 4.01Å; L596-L600 HydrophobicContact CG-CD1 3.92Å; L596-L600 HydrophobicContact CG-CG 4.4Å; L596-L600 WeakPolarHBondContact O-CB 3.41Å; L596-L600 VanDerWaalsContact O-CG 3.3Å; L596-L600 WeakPolarHBondContact O-CG 3.43Å; L596-L600 PolarHBondContact O-N 2.91Å; E597-L600 PolarHBondContact O-N 3.49Å; L600-L604 HydrophobicContact CB-CD2 4.37Å; L600-L604 HydrophobicContact CD1-CD2 4.33Å; L600-M630 HydrophobicContact CD1-CB 4.15Å; L600-M630 HydrophobicContact CD1-CG 4.45Å; L600-M630 HydrophobicContact CD1-SD 4.2Å; L600-Y636 HydrophobicContact CD2-CD2 3.95Å; L600-V638 HydrophobicContact CD1-CG2 3.87Å; L600-V638 HydrophobicContact CD2-CG2 4.23Å
601	G	93.9	Very high	93.7	Very high	30 Å²	30	28.6 Å²	28.6	31%	0.309	14%	0.14	S	C	.	.			trans	90.4	140.8	-175.6	0	0	0	0	0	114.1	E597 E603 L604 F605	E597-G601 CarbonylContact O-C 3.5Å; E597-G601 VanDerWaalsContact O-CA 3.29Å; E597-G601 WeakPolarHBondContact O-CA 3.39Å; E597-G601 PolarHBondContact O-N 3.16Å; G601-E603 VanDerWaalsContact C-N 3.28Å; G601-E603 PolarHBondContact O-N 3.44Å; G601-L604 PolarHBondContact O-N 3.3Å; G601-F605 PolarHBondContact O-N 2.75Å
602	D	92.9	Very high	93.7	Very high	52 Å²	52	28.5 Å²	28.5	28%	0.278	14%	0.14	S	C	.	.	H	α-helix	trans	-45.4	-48.4	177.8	168.2	68.5	0	0	0	113	K534 E597 L604 F605 R606	K534-D602 WeakPolarHBondContact CE-OD1 3.4Å; K534-D602 IonicContact NZ-OD1 3.68Å; K534-D602 PolarHBondContact NZ-OD1 3.42Å; E597-D602 WeakPolarHBondContact OE1-CA 3.31Å; D602-L604 PolarHBondContact O-N 3.48Å; D602-F605 PolarHBondContact O-N 3.35Å; D602-R606 VanDerWaalsContact O-CB 3.25Å; D602-R606 WeakPolarHBondContact O-CB 3.34Å; D602-R606 PolarHBondContact O-N 3.46Å; D602-R606 IonicContact OD1-NH1 3.54Å; D602-R606 IonicContact OD2-CZ 3.73Å; D602-R606 IonicContact OD2-NH1 2.73Å; D602-R606 PolarHBondContact OD2-NH1 3.37Å; D602-R606 IonicContact OD2-NH2 2.75Å; D602-R606 PolarHBondContact OD2-NH2 3.38Å; D602-R606 VanDerWaalsContact OD2-NH2 3.16Å
603	E	94.3	Very high	93.8	Very high	122 Å²	122	28.1 Å²	28.1	57%	0.57	14%	0.138	S	C	*	.	H	α-helix	trans	-65.7	-43.3	-173.2	-178.1	168	-159.7	0	0	112.3	G601 N607	G601-E603 VanDerWaalsContact C-N 3.28Å; G601-E603 PolarHBondContact O-N 3.44Å; E603-N607 VanDerWaalsContact CG-ND2 3.33Å; E603-N607 WeakPolarHBondContact CG-ND2 3.28Å; E603-N607 WeakPolarHBondContact O-CB 3.13Å; E603-N607 PolarHBondContact O-N 3.05Å; E603-N607 PolarHBondContact O-ND2 3.12Å
604	L	94.3	Very high	93.8	Very high	38 Å²	38	34.2 Å²	34.2	20%	0.199	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-46.9	176.2	-168.7	160.9	0	0	0	109.8	L600 G601 D602 N607 A608 M630 L633	L600-L604 HydrophobicContact CB-CD2 4.37Å; L600-L604 HydrophobicContact CD1-CD2 4.33Å; G601-L604 PolarHBondContact O-N 3.3Å; D602-L604 PolarHBondContact O-N 3.48Å; L604-N607 PolarHBondContact O-N 2.88Å; L604-A608 WeakPolarHBondContact O-CB 3.5Å; L604-A608 PolarHBondContact O-N 3.26Å; L604-M630 HydrophobicContact CD2-CB 4.43Å; L604-M630 HydrophobicContact CD2-CG 4.21Å; L604-L633 HydrophobicContact CD1-CB 4.14Å; L604-L633 HydrophobicContact CD2-CB 4.27Å; L604-L633 HydrophobicContact CG-CB 4.18Å
605	F	94.3	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-50.6	-178.5	-165.2	-91.3	0	0	0	111.9	L527 Y530 L593 L596 E597 G601 D602 A608 L609 M630	L527-F605 HydrophobicContact CD1-CE1 4.06Å; L527-F605 HydrophobicContact CD1-CZ 3.78Å; Y530-F605 HydrophobicContact CD1-CE1 4.17Å; Y530-F605 HydrophobicContact CD1-CZ 4.42Å; Y530-F605 HydrophobicContact CE1-CD1 4.34Å; Y530-F605 AromaticContact CE1-CE1 3.68Å; Y530-F605 HydrophobicContact CE1-CE1 3.68Å; Y530-F605 HydrophobicContact CE1-CZ 4.15Å; L593-F605 HydrophobicContact CD2-CZ 4.36Å; L596-F605 HydrophobicContact CD2-CE2 4.4Å; E597-F605 HydrophobicContact CB-CB 4.26Å; E597-F605 HydrophobicContact CB-CD1 4.16Å; E597-F605 HydrophobicContact CB-CD2 3.81Å; E597-F605 HydrophobicContact CB-CE1 4.46Å; E597-F605 HydrophobicContact CB-CE2 4.14Å; E597-F605 HydrophobicContact CB-CG 3.82Å; E597-F605 HydrophobicContact CB-CZ 4.45Å; E597-F605 HydrophobicContact CG-CB 3.8Å; E597-F605 HydrophobicContact CG-CD1 4Å; E597-F605 HydrophobicContact CG-CD2 4.29Å; E597-F605 HydrophobicContact CG-CG 3.78Å; G601-F605 PolarHBondContact O-N 2.75Å; D602-F605 PolarHBondContact O-N 3.35Å; F605-A608 PolarHBondContact O-N 3.16Å; F605-L609 HydrophobicContact CD1-CD1 3.94Å; F605-L609 HydrophobicContact CD1-CG 4.41Å; F605-L609 HydrophobicContact CE1-CD1 3.7Å; F605-L609 HydrophobicContact CE1-CG 4.33Å; F605-L609 WeakPolarHBondContact O-CG 3.09Å; F605-L609 PolarHBondContact O-N 2.91Å; F605-L609 VanDerWaalsContact O-N 3.08Å; F605-M630 HydrophobicContact CD2-CE 3.4Å; F605-M630 HydrophobicContact CD2-SD 4.03Å; F605-M630 HydrophobicContact CE2-CE 3.6Å; F605-M630 HydrophobicContact CE2-SD 4.17Å; F605-M630 HydrophobicContact CG-CE 3.92Å; F605-M630 HydrophobicContact CZ-CE 4.26Å
606	R	94	Very high	93.7	Very high	58 Å²	58	38.8 Å²	38.8	22%	0.219	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-44.9	176.3	179	177.5	60.7	-128.4	-12.1	111.9	Y446 D602 A608 L609 R610	Y446-R606 HydrophobicContact CD2-CG 4.09Å; Y446-R606 HydrophobicContact CE2-CB 4.14Å; Y446-R606 HydrophobicContact CE2-CG 3.74Å; D602-R606 VanDerWaalsContact O-CB 3.25Å; D602-R606 WeakPolarHBondContact O-CB 3.34Å; D602-R606 PolarHBondContact O-N 3.46Å; D602-R606 IonicContact OD1-NH1 3.54Å; D602-R606 IonicContact OD2-CZ 3.73Å; D602-R606 IonicContact OD2-NH1 2.73Å; D602-R606 PolarHBondContact OD2-NH1 3.37Å; D602-R606 IonicContact OD2-NH2 2.75Å; D602-R606 PolarHBondContact OD2-NH2 3.38Å; D602-R606 VanDerWaalsContact OD2-NH2 3.16Å; R606-A608 VanDerWaalsContact C-N 3.33Å; R606-A608 PolarHBondContact O-N 2.98Å; R606-L609 PolarHBondContact O-N 3.18Å; R606-R610 HydrophobicContact CG-CG 4.38Å; R606-R610 VanDerWaalsContact O-CG 3.3Å; R606-R610 WeakPolarHBondContact O-CG 3.2Å; R606-R610 PolarHBondContact O-N 2.95Å
607	N	92.9	Very high	93.6	Very high	46 Å²	46	39.8 Å²	39.8	25%	0.246	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-32.6	-178.1	-70.8	-20	0	0	0	112.2	E603 L604 S611	E603-N607 VanDerWaalsContact CG-ND2 3.33Å; E603-N607 WeakPolarHBondContact CG-ND2 3.28Å; E603-N607 WeakPolarHBondContact O-CB 3.13Å; E603-N607 PolarHBondContact O-N 3.05Å; E603-N607 PolarHBondContact O-ND2 3.12Å; L604-N607 PolarHBondContact O-N 2.88Å; N607-S611 WeakPolarHBondContact O-CB 3.45Å; N607-S611 PolarHBondContact O-N 2.74Å; N607-S611 VanDerWaalsContact O-N 3.08Å; N607-S611 PolarHBondContact O-OG 2.88Å
608	A	92.7	Very high	93.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-45.6	170	0	0	0	0	0	111.9	L604 F605 R606 S611 F612 M630	L604-A608 WeakPolarHBondContact O-CB 3.5Å; L604-A608 PolarHBondContact O-N 3.26Å; F605-A608 PolarHBondContact O-N 3.16Å; R606-A608 VanDerWaalsContact C-N 3.33Å; R606-A608 PolarHBondContact O-N 2.98Å; A608-S611 PolarHBondContact O-N 2.84Å; A608-F612 VanDerWaalsContact O-CB 3.29Å; A608-F612 WeakPolarHBondContact O-CB 3.37Å; A608-F612 PolarHBondContact O-N 2.91Å; A608-M630 HydrophobicContact CB-CE 3.79Å; A608-M630 HydrophobicContact CB-CG 3.79Å
609	L	93.3	Very high	93.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-46.2	176	-68.2	-179.1	0	0	0	112.8	Y446 F447 L527 V531 F605 R606 S611 F612 I613 I626	Y446-L609 HydrophobicContact CE1-CD1 4.31Å; F447-L609 HydrophobicContact CE1-CB 4.38Å; F447-L609 HydrophobicContact CE1-CD1 4.34Å; L527-L609 HydrophobicContact CD1-CD2 4.34Å; L527-L609 HydrophobicContact CD2-CD2 3.98Å; V531-L609 HydrophobicContact CG2-CD1 4Å; F605-L609 HydrophobicContact CD1-CD1 3.94Å; F605-L609 HydrophobicContact CD1-CG 4.41Å; F605-L609 HydrophobicContact CE1-CD1 3.7Å; F605-L609 HydrophobicContact CE1-CG 4.33Å; F605-L609 WeakPolarHBondContact O-CG 3.09Å; F605-L609 PolarHBondContact O-N 2.91Å; F605-L609 VanDerWaalsContact O-N 3.08Å; R606-L609 PolarHBondContact O-N 3.18Å; L609-S611 PolarHBondContact O-N 3.23Å; L609-F612 PolarHBondContact O-N 3.49Å; L609-I613 WeakPolarHBondContact O-CG1 3.23Å; L609-I613 PolarHBondContact O-N 3.42Å; L609-I626 HydrophobicContact CD2-CD1 4.03Å; L609-I626 HydrophobicContact CD2-CG2 4.41Å
610	R	94.4	Very high	93.1	Very high	61 Å²	61	41.1 Å²	41.1	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-53.2	-53	174.6	-74.8	176	162.8	175.2	-9.2	111.1	E445 Y446 F447 A448 R606 F612 I613 Y614	E445-R610 PolarHBondContact O-NH2 3.41Å; Y446-R610 WeakPolarHBondContact O-CG 3.26Å; Y446-R610 PolarHBondContact O-NE 3.31Å; Y446-R610 PolarHBondContact O-NH2 3.22Å; F447-R610 WeakPolarHBondContact O-CG 3.41Å; A448-R610 HydrophobicContact CB-CG 4.38Å; R606-R610 HydrophobicContact CG-CG 4.38Å; R606-R610 VanDerWaalsContact O-CG 3.3Å; R606-R610 WeakPolarHBondContact O-CG 3.2Å; R606-R610 PolarHBondContact O-N 2.95Å; R610-F612 PolarHBondContact O-N 3.49Å; R610-I613 PolarHBondContact O-N 3.09Å; R610-Y614 WeakPolarHBondContact O-CD2 3.48Å; R610-Y614 PolarHBondContact O-N 3.49Å
611	S	90.9	Very high	92.8	Very high	13 Å²	13	40.8 Å²	40.8	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-72	-31.2	-173.8	-47.5	0	0	0	0	112.1	N607 A608 L609 E615 W629	N607-S611 WeakPolarHBondContact O-CB 3.45Å; N607-S611 PolarHBondContact O-N 2.74Å; N607-S611 VanDerWaalsContact O-N 3.08Å; N607-S611 PolarHBondContact O-OG 2.88Å; A608-S611 PolarHBondContact O-N 2.84Å; L609-S611 PolarHBondContact O-N 3.23Å; S611-E615 WeakPolarHBondContact O-CB 3.45Å; S611-E615 PolarHBondContact O-N 2.98Å; S611-W629 VanDerWaalsContact C-CZ3 3.41Å; S611-W629 VanDerWaalsContact CB-CZ2 3.43Å; S611-W629 WeakPolarHBondContact O-CZ3 3.41Å
612	F	91.5	Very high	92.6	Very high	2 Å²	2	40 Å²	40	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-47.3	169.2	171.1	-100.5	0	0	0	112.4	L509 V513 A608 L609 R610 Y614 E615 Y616 I621 L623 Q625 I626	L509-F612 HydrophobicContact CD2-CE1 4.33Å; V513-F612 HydrophobicContact CB-CE1 4.06Å; V513-F612 HydrophobicContact CG1-CE1 3.56Å; V513-F612 HydrophobicContact CG1-CE2 4.48Å; V513-F612 HydrophobicContact CG1-CZ 3.55Å; V513-F612 HydrophobicContact CG2-CE1 4.41Å; A608-F612 VanDerWaalsContact O-CB 3.29Å; A608-F612 WeakPolarHBondContact O-CB 3.37Å; A608-F612 PolarHBondContact O-N 2.91Å; L609-F612 PolarHBondContact O-N 3.49Å; R610-F612 PolarHBondContact O-N 3.49Å; F612-Y614 PolarHBondContact O-N 3.03Å; F612-E615 PolarHBondContact O-N 3.18Å; F612-Y616 AromaticContact CD2-CD2 3.32Å; F612-Y616 HydrophobicContact CD2-CD2 3.32Å; F612-Y616 AromaticContact CD2-CE2 3.78Å; F612-Y616 HydrophobicContact CD2-CE2 3.78Å; F612-Y616 HydrophobicContact CD2-CG 4.28Å; F612-Y616 AromaticContact CE2-CD2 3.67Å; F612-Y616 HydrophobicContact CE2-CD2 3.67Å; F612-Y616 HydrophobicContact CE2-CE2 4.22Å; F612-Y616 HydrophobicContact CE2-CG 4.25Å; F612-Y616 HydrophobicContact CG-CD2 4.08Å; F612-Y616 WeakPolarHBondContact O-CB 3.44Å; F612-Y616 WeakPolarHBondContact O-CD2 3.48Å; F612-Y616 PolarHBondContact O-N 2.94Å; F612-I621 HydrophobicContact CE2-CG2 3.6Å; F612-I621 HydrophobicContact CZ-CG2 3.52Å; F612-L623 HydrophobicContact CE1-CD2 4.25Å; F612-L623 HydrophobicContact CZ-CD2 3.97Å; F612-Q625 HydrophobicContact CE2-CB 4.49Å; F612-I626 HydrophobicContact CB-CG1 4.07Å; F612-I626 HydrophobicContact CD1-CD1 3.63Å; F612-I626 HydrophobicContact CD1-CG1 3.85Å; F612-I626 HydrophobicContact CD2-CD1 4.04Å; F612-I626 HydrophobicContact CD2-CG1 3.31Å; F612-I626 HydrophobicContact CE1-CD1 3.66Å; F612-I626 HydrophobicContact CE1-CG1 4.04Å; F612-I626 HydrophobicContact CE2-CD1 4.07Å; F612-I626 HydrophobicContact CE2-CG1 3.53Å; F612-I626 HydrophobicContact CG-CD1 3.83Å; F612-I626 HydrophobicContact CG-CG1 3.48Å; F612-I626 VanDerWaalsContact CG-CG1 3.48Å; F612-I626 HydrophobicContact CZ-CD1 3.87Å; F612-I626 HydrophobicContact CZ-CG1 3.88Å
613	I	93.7	Very high	92.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-44.6	177.9	-71.3	163	0	0	0	110.8	F447 Y449 W508 L509 V513 L609 R610 E615 A617	F447-I613 HydrophobicContact CB-CD1 3.92Å; F447-I613 HydrophobicContact CD1-CD1 3.18Å; F447-I613 HydrophobicContact CD2-CD1 4.27Å; F447-I613 HydrophobicContact CE1-CD1 3.61Å; F447-I613 HydrophobicContact CG-CD1 3.55Å; F447-I613 HydrophobicContact CZ-CD1 4.28Å; Y449-I613 HydrophobicContact CD1-CG2 3.79Å; Y449-I613 HydrophobicContact CD2-CG2 3.93Å; Y449-I613 HydrophobicContact CE1-CG2 4.37Å; Y449-I613 HydrophobicContact CE2-CG2 4.48Å; Y449-I613 HydrophobicContact CG-CG2 3.57Å; W508-I613 HydrophobicContact CB-CD1 4.09Å; L509-I613 HydrophobicContact CD2-CD1 4.08Å; L509-I613 HydrophobicContact CD2-CG1 4.16Å; L509-I613 HydrophobicContact CG-CD1 4.49Å; V513-I613 HydrophobicContact CG2-CG1 4.34Å; L609-I613 WeakPolarHBondContact O-CG1 3.23Å; L609-I613 PolarHBondContact O-N 3.42Å; R610-I613 PolarHBondContact O-N 3.09Å; I613-E615 PolarHBondContact O-N 3.46Å; I613-A617 WeakPolarHBondContact O-CA 3.43Å; I613-A617 WeakPolarHBondContact O-CB 3.49Å; I613-A617 PolarHBondContact O-N 2.56Å
614	Y	93.3	Very high	92	Very high	127 Å²	127	32.4 Å²	32.4	50%	0.498	15%	0.15	S	C	.	.	H	α-helix	trans	-60.7	-43.3	176.7	-96.5	-74.6	0	0	0	113.4	A448 Y449 R610 F612	A448-Y614 WeakPolarHBondContact O-CE2 3.03Å; A448-Y614 PolarHBondContact O-OH 3.05Å; Y449-Y614 AromaticContact CD2-CD1 3.9Å; Y449-Y614 HydrophobicContact CD2-CD1 3.9Å; Y449-Y614 HydrophobicContact CD2-CD2 4.23Å; Y449-Y614 AromaticContact CD2-CE1 3.98Å; Y449-Y614 HydrophobicContact CD2-CE1 3.98Å; Y449-Y614 HydrophobicContact CD2-CE2 4.3Å; Y449-Y614 HydrophobicContact CD2-CG 4.05Å; Y449-Y614 HydrophobicContact CE2-CD1 4.23Å; Y449-Y614 HydrophobicContact CE2-CE1 4.46Å; R610-Y614 WeakPolarHBondContact O-CD2 3.48Å; R610-Y614 PolarHBondContact O-N 3.49Å; F612-Y614 PolarHBondContact O-N 3.03Å
615	E	92.4	Very high	91.7	Very high	92 Å²	92	30.9 Å²	30.9	43%	0.43	14%	0.141	S	C	.	.	H	α-helix	trans	-74.9	-38.1	179.8	177.9	55.4	-128.7	0	0	112.2	S611 F612 I613 K619	S611-E615 WeakPolarHBondContact O-CB 3.45Å; S611-E615 PolarHBondContact O-N 2.98Å; F612-E615 PolarHBondContact O-N 3.18Å; I613-E615 PolarHBondContact O-N 3.46Å; E615-K619 WeakPolarHBondContact O-CE 3.39Å; E615-K619 PolarHBondContact O-NZ 3.33Å; E615-K619 IonicContact OE1-NZ 2.72Å; E615-K619 PolarHBondContact OE1-NZ 2.89Å
616	Y	93	Very high	91.5	Very high	22 Å²	22	30.9 Å²	30.9	9%	0.086	14%	0.141	C	C	.	.	H	α-helix	trans	-107.5	13	-170.6	-58.6	-76.1	0	0	0	115.3	F612 Y618 K619 I621 Q625	F612-Y616 AromaticContact CD2-CD2 3.32Å; F612-Y616 HydrophobicContact CD2-CD2 3.32Å; F612-Y616 AromaticContact CD2-CE2 3.78Å; F612-Y616 HydrophobicContact CD2-CE2 3.78Å; F612-Y616 HydrophobicContact CD2-CG 4.28Å; F612-Y616 AromaticContact CE2-CD2 3.67Å; F612-Y616 HydrophobicContact CE2-CD2 3.67Å; F612-Y616 HydrophobicContact CE2-CE2 4.22Å; F612-Y616 HydrophobicContact CE2-CG 4.25Å; F612-Y616 HydrophobicContact CG-CD2 4.08Å; F612-Y616 WeakPolarHBondContact O-CB 3.44Å; F612-Y616 WeakPolarHBondContact O-CD2 3.48Å; F612-Y616 PolarHBondContact O-N 2.94Å; Y616-Y618 PolarHBondContact O-N 3.15Å; Y616-K619 HydrophobicContact CD1-CD 4.1Å; Y616-K619 WeakPolarHBondContact O-CB 3.13Å; Y616-K619 PolarHBondContact O-N 3.34Å; Y616-I621 HydrophobicContact CD1-CB 4.16Å; Y616-I621 HydrophobicContact CD1-CD1 4.2Å; Y616-I621 HydrophobicContact CD1-CG1 3.72Å; Y616-I621 HydrophobicContact CD1-CG2 4.28Å; Y616-I621 HydrophobicContact CE1-CD1 4.07Å; Y616-I621 HydrophobicContact CE1-CG1 3.88Å; Y616-I621 HydrophobicContact CG-CB 4.41Å; Y616-I621 HydrophobicContact CG-CG1 4.2Å; Y616-I621 HydrophobicContact CG-CG2 4.01Å; Y616-Q625 HydrophobicContact CE2-CB 4.07Å
617	A	93	Very high	91.5	Very high	22 Å²	22	28.7 Å²	28.7	18%	0.182	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	129.7	174.9	0	0	0	0	0	113	Y449 V512 I613 K619	Y449-A617 HydrophobicContact CE2-CB 4.16Å; Y449-A617 WeakPolarHBondContact OH-CB 3.5Å; V512-A617 HydrophobicContact CG1-CB 3.96Å; I613-A617 WeakPolarHBondContact O-CA 3.43Å; I613-A617 WeakPolarHBondContact O-CB 3.49Å; I613-A617 PolarHBondContact O-N 2.56Å; A617-K619 PolarHBondContact O-N 2.95Å
618	Y	92	Very high	91.3	Very high	59 Å²	59	29 Å²	29	23%	0.231	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	21.8	-177	-54	-79.2	0	0	0	115.7	R341 P390 I451 Y472 V512 Y616	R341-Y618 WeakPolarHBondContact CD-O 3.42Å; R341-Y618 VanDerWaalsContact CZ-C 3.47Å; R341-Y618 PolarHBondContact NE-O 3.5Å; R341-Y618 VanDerWaalsContact NE-O 3.16Å; P390-Y618 HydrophobicContact CB-CD1 3.76Å; P390-Y618 HydrophobicContact CB-CE1 3.57Å; P390-Y618 HydrophobicContact CG-CE1 3.88Å; I451-Y618 PolarHBondContact O-OH 3.24Å; Y472-Y618 HydrophobicContact CE2-CE1 4.18Å; Y472-Y618 PolarHBondContact OH-OH 2.99Å; V512-Y618 HydrophobicContact CG2-CE1 4.42Å; V512-Y618 VanDerWaalsContact O-CA 3.23Å; V512-Y618 WeakPolarHBondContact O-CA 3.44Å; V512-Y618 PolarHBondContact O-N 3.14Å; Y616-Y618 PolarHBondContact O-N 3.15Å
619	K	91.7	Very high	91	Very high	89 Å²	89	29.8 Å²	29.8	39%	0.387	13%	0.134	S	C	.	.			trans	-110.5	151.7	172.9	-51.7	176.8	-164.4	163.1	0	110.4	R341 S514 E615 Y616 A617	R341-K619 PolarHBondContact NH1-O 2.73Å; S514-K619 PolarHBondContact N-O 3.37Å; E615-K619 WeakPolarHBondContact O-CE 3.39Å; E615-K619 PolarHBondContact O-NZ 3.33Å; E615-K619 IonicContact OE1-NZ 2.72Å; E615-K619 PolarHBondContact OE1-NZ 2.89Å; Y616-K619 HydrophobicContact CD1-CD 4.1Å; Y616-K619 WeakPolarHBondContact O-CB 3.13Å; Y616-K619 PolarHBondContact O-N 3.34Å; A617-K619 PolarHBondContact O-N 2.95Å
620	S	90.4	Very high	91	Very high	10 Å²	10	29.8 Å²	29.8	7%	0.07	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.4	164.2	-57.8	0	0	0	0	108.6	L338 R341 S514	L338-S620 VanDerWaalsContact O-CB 3.32Å; L338-S620 WeakPolarHBondContact O-CB 3.45Å; L338-S620 PolarHBondContact O-OG 3.07Å; R341-S620 VanDerWaalsContact CD-OG 3.31Å; R341-S620 WeakPolarHBondContact CD-OG 3.47Å; S514-S620 WeakPolarHBondContact O-CA 3.44Å; S514-S620 WeakPolarHBondContact OG-CA 3.12Å; S514-S620 PolarHBondContact OG-OG 2.84Å
621	I	89.9	Confident	91	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.9	-171	-166	62.4	0	0	0	111.2	V513 S514 Q516 F612 Y616 Q625	V513-I621 HydrophobicContact CG1-CG2 3.5Å; S514-I621 PolarHBondContact O-N 3.41Å; Q516-I621 VanDerWaalsContact CB-C 3.45Å; Q516-I621 PolarHBondContact N-O 2.67Å; F612-I621 HydrophobicContact CE2-CG2 3.6Å; F612-I621 HydrophobicContact CZ-CG2 3.52Å; Y616-I621 HydrophobicContact CD1-CB 4.16Å; Y616-I621 HydrophobicContact CD1-CD1 4.2Å; Y616-I621 HydrophobicContact CD1-CG1 3.72Å; Y616-I621 HydrophobicContact CD1-CG2 4.28Å; Y616-I621 HydrophobicContact CE1-CD1 4.07Å; Y616-I621 HydrophobicContact CE1-CG1 3.88Å; Y616-I621 HydrophobicContact CG-CB 4.41Å; Y616-I621 HydrophobicContact CG-CG1 4.2Å; Y616-I621 HydrophobicContact CG-CG2 4.01Å; I621-Q625 HydrophobicContact CD1-CG 4.02Å; I621-Q625 HydrophobicContact CG1-CG 3.75Å
622	S	88.9	Confident	90.9	Very high	13 Å²	13	30.3 Å²	30.3	9%	0.091	15%	0.147	C	C	.	.			trans	-73.4	135.5	172.4	179.4	0	0	0	0	111	Q516 E520 S624 Q625	Q516-S622 VanDerWaalsContact OE1-CB 3.31Å; E520-S622 WeakPolarHBondContact OE1-CA 3.25Å; E520-S622 WeakPolarHBondContact OE1-CB 3.15Å; E520-S622 PolarHBondContact OE1-OG 3.22Å; E520-S622 WeakPolarHBondContact OE2-CA 3.25Å; E520-S622 PolarHBondContact OE2-OG 3.21Å; S622-S624 VanDerWaalsContact CB-OG 3.31Å; S622-S624 WeakPolarHBondContact CB-OG 3.46Å; S622-S624 PolarHBondContact O-N 3.22Å; S622-S624 VanDerWaalsContact O-N 3.09Å; S622-S624 WeakPolarHBondContact OG-CB 3.24Å; S622-S624 PolarHBondContact OG-N 2.72Å; S622-S624 PolarHBondContact OG-OG 2.73Å; S622-Q625 WeakPolarHBondContact O-CG 3.44Å; S622-Q625 PolarHBondContact O-N 3.08Å; S622-Q625 VanDerWaalsContact O-N 3.1Å
623	L	87.6	Confident	90.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.4	171.8	-63.3	174.7	0	0	0	112.3	E520 I523 H524 F612 Q625 I626 W627	E520-L623 PolarHBondContact OE2-N 3.25Å; I523-L623 HydrophobicContact CG1-CD1 4.43Å; I523-L623 HydrophobicContact CG2-CD1 4.1Å; H524-L623 HydrophobicContact CB-CD1 3.87Å; F612-L623 HydrophobicContact CE1-CD2 4.25Å; F612-L623 HydrophobicContact CZ-CD2 3.97Å; L623-Q625 PolarHBondContact O-N 3.13Å; L623-I626 HydrophobicContact CD2-CD1 3.5Å; L623-I626 VanDerWaalsContact CD2-CD1 3.5Å; L623-I626 HydrophobicContact CD2-CG1 4.33Å; L623-I626 WeakPolarHBondContact O-CA 3.44Å; L623-I626 WeakPolarHBondContact O-CB 3.48Å; L623-I626 PolarHBondContact O-N 2.84Å; L623-W627 HydrophobicContact CB-CZ2 3.86Å; L623-W627 HydrophobicContact CD1-CZ2 4.33Å; L623-W627 PolarHBondContact O-N 3.49Å; L623-W627 PolarHBondContact O-NE1 3.24Å
624	S	88.1	Confident	90.7	Very high	14 Å²	14	34.9 Å²	34.9	10%	0.098	17%	0.174	C	C	.	.	H	α-helix	trans	-53.1	-24.1	168	64.2	0	0	0	0	113.9	S622 W627 R628	S622-S624 VanDerWaalsContact CB-OG 3.31Å; S622-S624 WeakPolarHBondContact CB-OG 3.46Å; S622-S624 PolarHBondContact O-N 3.22Å; S622-S624 VanDerWaalsContact O-N 3.09Å; S622-S624 WeakPolarHBondContact OG-CB 3.24Å; S622-S624 PolarHBondContact OG-N 2.72Å; S622-S624 PolarHBondContact OG-OG 2.73Å; S624-W627 PolarHBondContact O-N 3.35Å; S624-R628 VanDerWaalsContact O-CG 3.31Å; S624-R628 WeakPolarHBondContact O-CG 3.32Å; S624-R628 PolarHBondContact O-N 3.43Å; S624-R628 PolarHBondContact OG-NH1 2.92Å; S624-R628 PolarHBondContact OG-NH2 3.12Å
625	Q	87.5	Confident	90.5	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-70.1	-35.3	171.4	-51.1	-51	-11.8	0	0	112.9	F612 Y616 I621 S622 L623 R628 W629	F612-Q625 HydrophobicContact CE2-CB 4.49Å; Y616-Q625 HydrophobicContact CE2-CB 4.07Å; I621-Q625 HydrophobicContact CD1-CG 4.02Å; I621-Q625 HydrophobicContact CG1-CG 3.75Å; S622-Q625 WeakPolarHBondContact O-CG 3.44Å; S622-Q625 PolarHBondContact O-N 3.08Å; S622-Q625 VanDerWaalsContact O-N 3.1Å; L623-Q625 PolarHBondContact O-N 3.13Å; Q625-R628 VanDerWaalsContact NE2-NH1 3.11Å; Q625-W629 WeakPolarHBondContact O-CB 3.11Å; Q625-W629 PolarHBondContact O-N 2.83Å; Q625-W629 VanDerWaalsContact O-N 3.08Å
626	I	90.7	Very high	90.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-47.2	171.9	-52.3	-177.3	0	0	0	109.3	L527 L609 F612 L623 R628 W629 M630	L527-I626 HydrophobicContact CD2-CD1 4.33Å; L609-I626 HydrophobicContact CD2-CD1 4.03Å; L609-I626 HydrophobicContact CD2-CG2 4.41Å; F612-I626 HydrophobicContact CB-CG1 4.07Å; F612-I626 HydrophobicContact CD1-CD1 3.63Å; F612-I626 HydrophobicContact CD1-CG1 3.85Å; F612-I626 HydrophobicContact CD2-CD1 4.04Å; F612-I626 HydrophobicContact CD2-CG1 3.31Å; F612-I626 HydrophobicContact CE1-CD1 3.66Å; F612-I626 HydrophobicContact CE1-CG1 4.04Å; F612-I626 HydrophobicContact CE2-CD1 4.07Å; F612-I626 HydrophobicContact CE2-CG1 3.53Å; F612-I626 HydrophobicContact CG-CD1 3.83Å; F612-I626 HydrophobicContact CG-CG1 3.48Å; F612-I626 VanDerWaalsContact CG-CG1 3.48Å; F612-I626 HydrophobicContact CZ-CD1 3.87Å; F612-I626 HydrophobicContact CZ-CG1 3.88Å; L623-I626 HydrophobicContact CD2-CD1 3.5Å; L623-I626 VanDerWaalsContact CD2-CD1 3.5Å; L623-I626 HydrophobicContact CD2-CG1 4.33Å; L623-I626 WeakPolarHBondContact O-CA 3.44Å; L623-I626 WeakPolarHBondContact O-CB 3.48Å; L623-I626 PolarHBondContact O-N 2.84Å; I626-R628 PolarHBondContact O-N 3.11Å; I626-W629 WeakPolarHBondContact O-CB 3.49Å; I626-W629 PolarHBondContact O-N 2.77Å; I626-W629 VanDerWaalsContact O-N 3.13Å; I626-M630 HydrophobicContact CG2-CE 3.47Å; I626-M630 VanDerWaalsContact CG2-CE 3.47Å; I626-M630 HydrophobicContact CG2-CG 4.28Å; I626-M630 HydrophobicContact CG2-SD 3.96Å; I626-M630 WeakPolarHBondContact O-CG 3.44Å; I626-M630 PolarHBondContact O-N 2.96Å
627	W	93.3	Very high	90.7	Very high	13 Å²	13	36.3 Å²	36.3	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-43.6	-175.4	-43.8	143.5	0	0	0	111.4	I523 L593 L596 L623 S624 W629 M630 S631 V638 E639 V642	I523-W627 HydrophobicContact CD1-CZ2 3.64Å; I523-W627 HydrophobicContact CG1-CZ2 4.07Å; L593-W627 HydrophobicContact CD2-CH2 3.73Å; L593-W627 HydrophobicContact CD2-CZ2 4.5Å; L593-W627 HydrophobicContact CD2-CZ3 4.19Å; L596-W627 HydrophobicContact CD2-CZ3 4.47Å; L623-W627 HydrophobicContact CB-CZ2 3.86Å; L623-W627 HydrophobicContact CD1-CZ2 4.33Å; L623-W627 PolarHBondContact O-N 3.49Å; L623-W627 PolarHBondContact O-NE1 3.24Å; S624-W627 PolarHBondContact O-N 3.35Å; W627-W629 VanDerWaalsContact C-N 3.33Å; W627-W629 PolarHBondContact O-N 3.01Å; W627-M630 HydrophobicContact CE3-SD 3.81Å; W627-M630 HydrophobicContact CZ3-CE 4.16Å; W627-M630 HydrophobicContact CZ3-SD 3.87Å; W627-M630 PolarHBondContact O-N 3.21Å; W627-S631 PolarHBondContact O-N 3.35Å; W627-S631 PolarHBondContact O-OG 3.19Å; W627-S631 VanDerWaalsContact O-OG 3.07Å; W627-V638 HydrophobicContact CB-CG1 4.24Å; W627-V638 HydrophobicContact CE3-CG1 4.38Å; W627-E639 HydrophobicContact CB-CB 4.09Å; W627-V642 HydrophobicContact CD2-CB 4.38Å; W627-V642 HydrophobicContact CD2-CG1 4.33Å; W627-V642 HydrophobicContact CD2-CG2 3.88Å; W627-V642 HydrophobicContact CE3-CG2 4.2Å; W627-V642 HydrophobicContact CG-CB 4.14Å; W627-V642 HydrophobicContact CG-CG1 4.3Å; W627-V642 HydrophobicContact CG-CG2 4.02Å; W627-V642 HydrophobicContact CZ2-CG1 4.47Å
628	R	89.4	Confident	90.8	Very high	53 Å²	53	35.2 Å²	35.2	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-39.1	171.3	-70.7	174.6	-159.6	113.1	9.2	113.2	V187 S624 Q625 I626 S631 S632 E639	V187-R628 HydrophobicContact CG1-CB 4.33Å; S624-R628 VanDerWaalsContact O-CG 3.31Å; S624-R628 WeakPolarHBondContact O-CG 3.32Å; S624-R628 PolarHBondContact O-N 3.43Å; S624-R628 PolarHBondContact OG-NH1 2.92Å; S624-R628 PolarHBondContact OG-NH2 3.12Å; Q625-R628 VanDerWaalsContact NE2-NH1 3.11Å; I626-R628 PolarHBondContact O-N 3.11Å; R628-S631 WeakPolarHBondContact O-CB 3.48Å; R628-S631 PolarHBondContact O-N 3.15Å; R628-S632 PolarHBondContact O-N 2.85Å; R628-E639 WeakPolarHBondContact CD-OE2 3.44Å; R628-E639 HydrophobicContact CG-CB 4.43Å; R628-E639 WeakPolarHBondContact CG-OE2 3.36Å; R628-E639 IonicContact CZ-OE1 2.97Å; R628-E639 VanDerWaalsContact CZ-OE1 3.26Å; R628-E639 IonicContact CZ-OE2 3.17Å; R628-E639 IonicContact NE-OE1 3.39Å; R628-E639 PolarHBondContact NE-OE1 3.09Å; R628-E639 IonicContact NE-OE2 2.78Å; R628-E639 PolarHBondContact NE-OE2 3.37Å; R628-E639 IonicContact NH2-OE1 3.99Å; R628-E639 PolarHBondContact NH2-OE1 2.75Å; R628-E639 IonicContact NH2-OE2 2.75Å
629	W	85.3	Confident	90.8	Very high	15 Å²	15	35.3 Å²	35.3	6%	0.057	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-49	176.6	-156.5	-18.7	0	0	0	110.8	C184 S611 Q625 I626 W627 S631 S632 L633	C184-W629 HydrophobicContact CB-CH2 4.01Å; C184-W629 HydrophobicContact CB-CZ2 3.91Å; S611-W629 VanDerWaalsContact C-CZ3 3.41Å; S611-W629 VanDerWaalsContact CB-CZ2 3.43Å; S611-W629 WeakPolarHBondContact O-CZ3 3.41Å; Q625-W629 WeakPolarHBondContact O-CB 3.11Å; Q625-W629 PolarHBondContact O-N 2.83Å; Q625-W629 VanDerWaalsContact O-N 3.08Å; I626-W629 WeakPolarHBondContact O-CB 3.49Å; I626-W629 PolarHBondContact O-N 2.77Å; I626-W629 VanDerWaalsContact O-N 3.13Å; W627-W629 VanDerWaalsContact C-N 3.33Å; W627-W629 PolarHBondContact O-N 3.01Å; W629-S631 VanDerWaalsContact C-N 3.28Å; W629-S631 PolarHBondContact O-N 3.47Å; W629-S632 PolarHBondContact O-N 3.05Å; W629-S632 VanDerWaalsContact O-N 3.1Å; W629-S632 PolarHBondContact O-OG 3.1Å; W629-L633 HydrophobicContact CG-CD1 4.45Å; W629-L633 WeakPolarHBondContact O-CG 3.42Å; W629-L633 PolarHBondContact O-N 3.33Å
630	M	93.4	Very high	90.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-37.5	174.5	-70.4	178.6	178.2	0	0	111.6	L600 L604 F605 A608 I626 W627 L633 S634 V638	L600-M630 HydrophobicContact CD1-CB 4.15Å; L600-M630 HydrophobicContact CD1-CG 4.45Å; L600-M630 HydrophobicContact CD1-SD 4.2Å; L604-M630 HydrophobicContact CD2-CB 4.43Å; L604-M630 HydrophobicContact CD2-CG 4.21Å; F605-M630 HydrophobicContact CD2-CE 3.4Å; F605-M630 HydrophobicContact CD2-SD 4.03Å; F605-M630 HydrophobicContact CE2-CE 3.6Å; F605-M630 HydrophobicContact CE2-SD 4.17Å; F605-M630 HydrophobicContact CG-CE 3.92Å; F605-M630 HydrophobicContact CZ-CE 4.26Å; A608-M630 HydrophobicContact CB-CE 3.79Å; A608-M630 HydrophobicContact CB-CG 3.79Å; I626-M630 HydrophobicContact CG2-CE 3.47Å; I626-M630 VanDerWaalsContact CG2-CE 3.47Å; I626-M630 HydrophobicContact CG2-CG 4.28Å; I626-M630 HydrophobicContact CG2-SD 3.96Å; I626-M630 WeakPolarHBondContact O-CG 3.44Å; I626-M630 PolarHBondContact O-N 2.96Å; W627-M630 HydrophobicContact CE3-SD 3.81Å; W627-M630 HydrophobicContact CZ3-CE 4.16Å; W627-M630 HydrophobicContact CZ3-SD 3.87Å; W627-M630 PolarHBondContact O-N 3.21Å; M630-L633 PolarHBondContact O-N 3.03Å; M630-S634 VanDerWaalsContact O-CB 3.27Å; M630-S634 WeakPolarHBondContact O-CB 3.36Å; M630-S634 PolarHBondContact O-N 3.16Å; M630-S634 PolarHBondContact O-OG 2.93Å; M630-V638 HydrophobicContact CB-CB 4.07Å; M630-V638 HydrophobicContact CB-CG1 3.87Å; M630-V638 HydrophobicContact CB-CG2 4.02Å; M630-V638 HydrophobicContact SD-CG1 4.32Å
631	S	94.1	Very high	91	Very high	22 Å²	22	34.2 Å²	34.2	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-51.1	171.2	-56.8	0	0	0	0	111.5	W627 R628 W629 L633 S634 G635 Y636 V638 E639	W627-S631 PolarHBondContact O-N 3.35Å; W627-S631 PolarHBondContact O-OG 3.19Å; W627-S631 VanDerWaalsContact O-OG 3.07Å; R628-S631 WeakPolarHBondContact O-CB 3.48Å; R628-S631 PolarHBondContact O-N 3.15Å; W629-S631 VanDerWaalsContact C-N 3.28Å; W629-S631 PolarHBondContact O-N 3.47Å; S631-L633 VanDerWaalsContact C-N 3.25Å; S631-L633 PolarHBondContact O-N 3.46Å; S631-S634 PolarHBondContact O-N 3.01Å; S631-G635 PolarHBondContact O-N 3.47Å; S631-Y636 WeakPolarHBondContact CA-O 3.2Å; S631-Y636 WeakPolarHBondContact CB-O 2.94Å; S631-Y636 PolarHBondContact OG-O 2.93Å; S631-V638 PolarHBondContact OG-N 2.75Å; S631-E639 PolarHBondContact OG-N 2.96Å
632	S	90.2	Very high	91.2	Very high	64 Å²	64	33.8 Å²	33.8	45%	0.448	19%	0.193	S	C	.	.	H	α-helix	trans	-63.1	-27.4	-178.7	75.2	0	0	0	0	114.4	R628 W629	R628-S632 PolarHBondContact O-N 2.85Å; W629-S632 PolarHBondContact O-N 3.05Å; W629-S632 VanDerWaalsContact O-N 3.1Å; W629-S632 PolarHBondContact O-OG 3.1Å
633	L	88.8	Confident	91.2	Very high	67 Å²	67	35.6 Å²	35.6	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-89.1	-29.3	-179.5	-70.7	174.5	0	0	0	113.2	L182 L604 W629 M630 S631	L182-L633 HydrophobicContact CD1-CD2 4.06Å; L604-L633 HydrophobicContact CD1-CB 4.14Å; L604-L633 HydrophobicContact CD2-CB 4.27Å; L604-L633 HydrophobicContact CG-CB 4.18Å; W629-L633 HydrophobicContact CG-CD1 4.45Å; W629-L633 WeakPolarHBondContact O-CG 3.42Å; W629-L633 PolarHBondContact O-N 3.33Å; M630-L633 PolarHBondContact O-N 3.03Å; S631-L633 VanDerWaalsContact C-N 3.25Å; S631-L633 PolarHBondContact O-N 3.46Å
634	S	90.9	Very high	91.3	Very high	31 Å²	31	37.5 Å²	37.5	22%	0.217	22%	0.215	C	C	.	.	H	α-helix	trans	-102.1	-23.7	-174.2	67.4	0	0	0	0	114.5	M630 S631 Y636	M630-S634 VanDerWaalsContact O-CB 3.27Å; M630-S634 WeakPolarHBondContact O-CB 3.36Å; M630-S634 PolarHBondContact O-N 3.16Å; M630-S634 PolarHBondContact O-OG 2.93Å; S631-S634 PolarHBondContact O-N 3.01Å; S634-Y636 VanDerWaalsContact C-N 3.27Å; S634-Y636 PolarHBondContact O-N 3.04Å; S634-Y636 PolarHBondContact OG-N 2.94Å
635	G	90.6	Very high	91.4	Very high	73 Å²	73	37.3 Å²	37.3	75%	0.753	21%	0.212	S	C	*	.	S	Bend	trans	81.4	-4.1	-172.9	0	0	0	0	0	114.9	S631	S631-G635 PolarHBondContact O-N 3.47Å
636	Y	93.6	Very high	91.3	Very high	108 Å²	108	38.6 Å²	38.6	42%	0.424	22%	0.218	S	C	.	.	S	Bend	trans	-91.6	155.4	171.7	-59.7	-70.6	0	0	0	111	F599 L600 S631 S634 V638 L705	F599-Y636 HydrophobicContact CE1-CD1 4.14Å; F599-Y636 AromaticContact CE1-CD2 3.69Å; F599-Y636 HydrophobicContact CE1-CD2 3.69Å; F599-Y636 HydrophobicContact CE1-CE1 4.29Å; F599-Y636 AromaticContact CE1-CE2 3.86Å; F599-Y636 HydrophobicContact CE1-CE2 3.86Å; F599-Y636 AromaticContact CE1-CG 3.85Å; F599-Y636 HydrophobicContact CE1-CG 3.85Å; F599-Y636 HydrophobicContact CZ-CD1 4.02Å; F599-Y636 HydrophobicContact CZ-CD2 4.02Å; F599-Y636 AromaticContact CZ-CE1 3.74Å; F599-Y636 HydrophobicContact CZ-CE1 3.74Å; F599-Y636 AromaticContact CZ-CE2 3.75Å; F599-Y636 HydrophobicContact CZ-CE2 3.75Å; F599-Y636 HydrophobicContact CZ-CG 4.15Å; F599-Y636 AromaticContact CZ-CZ 3.6Å; L600-Y636 HydrophobicContact CD2-CD2 3.95Å; S631-Y636 WeakPolarHBondContact CA-O 3.2Å; S631-Y636 WeakPolarHBondContact CB-O 2.94Å; S631-Y636 PolarHBondContact OG-O 2.93Å; S634-Y636 VanDerWaalsContact C-N 3.27Å; S634-Y636 PolarHBondContact O-N 3.04Å; S634-Y636 PolarHBondContact OG-N 2.94Å; Y636-V638 PolarHBondContact O-N 3.2Å; Y636-V638 VanDerWaalsContact O-N 3.09Å; Y636-L705 HydrophobicContact CD1-CD2 3.91Å
637	D	94.6	Very high	90.9	Very high	89 Å²	89	42.2 Å²	42.2	48%	0.476	24%	0.244	S	C	.	.			trans	-84.3	83.9	172.4	-163.7	-13.6	0	0	0	111.4	E639 L640 I641	D637-E639 PolarHBondContact OD1-N 2.65Å; D637-L640 HydrophobicContact CB-CB 3.86Å; D637-L640 PolarHBondContact O-N 3.26Å; D637-L640 PolarHBondContact OD1-N 2.87Å; D637-L640 WeakPolarHBondContact OD2-CB 3.13Å; D637-I641 VanDerWaalsContact O-CG1 3.32Å; D637-I641 WeakPolarHBondContact O-CG1 3.33Å; D637-I641 PolarHBondContact O-N 2.85Å
638	V	95.6	Very high	90.5	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-30.5	179.2	179.3	0	0	0	0	111.9	L596 L600 W627 M630 S631 Y636 I641 V642	L596-V638 HydrophobicContact CD1-CG1 3.97Å; L596-V638 HydrophobicContact CD1-CG2 4.42Å; L596-V638 HydrophobicContact CD2-CG1 3.85Å; L596-V638 HydrophobicContact CG-CG1 4.46Å; L600-V638 HydrophobicContact CD1-CG2 3.87Å; L600-V638 HydrophobicContact CD2-CG2 4.23Å; W627-V638 HydrophobicContact CB-CG1 4.24Å; W627-V638 HydrophobicContact CE3-CG1 4.38Å; M630-V638 HydrophobicContact CB-CB 4.07Å; M630-V638 HydrophobicContact CB-CG1 3.87Å; M630-V638 HydrophobicContact CB-CG2 4.02Å; M630-V638 HydrophobicContact SD-CG1 4.32Å; S631-V638 PolarHBondContact OG-N 2.75Å; Y636-V638 PolarHBondContact O-N 3.2Å; Y636-V638 VanDerWaalsContact O-N 3.09Å; V638-I641 PolarHBondContact O-N 3.01Å; V638-V642 HydrophobicContact CG1-CG2 4.29Å; V638-V642 WeakPolarHBondContact O-CG2 3.39Å; V638-V642 PolarHBondContact O-N 2.76Å
639	E	93.1	Very high	90	Very high	60 Å²	60	41.5 Å²	41.5	28%	0.28	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-43.8	171.9	179.5	166.7	-151.4	0	0	111.1	W627 R628 S631 D637 S643	W627-E639 HydrophobicContact CB-CB 4.09Å; R628-E639 WeakPolarHBondContact CD-OE2 3.44Å; R628-E639 HydrophobicContact CG-CB 4.43Å; R628-E639 WeakPolarHBondContact CG-OE2 3.36Å; R628-E639 IonicContact CZ-OE1 2.97Å; R628-E639 VanDerWaalsContact CZ-OE1 3.26Å; R628-E639 IonicContact CZ-OE2 3.17Å; R628-E639 IonicContact NE-OE1 3.39Å; R628-E639 PolarHBondContact NE-OE1 3.09Å; R628-E639 IonicContact NE-OE2 2.78Å; R628-E639 PolarHBondContact NE-OE2 3.37Å; R628-E639 IonicContact NH2-OE1 3.99Å; R628-E639 PolarHBondContact NH2-OE1 2.75Å; R628-E639 IonicContact NH2-OE2 2.75Å; S631-E639 PolarHBondContact OG-N 2.96Å; D637-E639 PolarHBondContact OD1-N 2.65Å; E639-S643 WeakPolarHBondContact O-CB 3.5Å; E639-S643 PolarHBondContact O-N 2.78Å; E639-S643 PolarHBondContact O-OG 3.23Å
640	L	91.9	Very high	90	Very high	72 Å²	72	40.8 Å²	40.8	38%	0.377	24%	0.242	S	C	.	.	H	α-helix	trans	-59.7	-50.5	171.7	-178.2	64.8	0	0	0	111.2	D637 V642 S643 E644	D637-L640 HydrophobicContact CB-CB 3.86Å; D637-L640 PolarHBondContact O-N 3.26Å; D637-L640 PolarHBondContact OD1-N 2.87Å; D637-L640 WeakPolarHBondContact OD2-CB 3.13Å; L640-V642 PolarHBondContact O-N 2.62Å; L640-S643 PolarHBondContact O-N 3.12Å; L640-S643 PolarHBondContact O-OG 3.43Å; L640-E644 HydrophobicContact CD1-CG 3.71Å; L640-E644 HydrophobicContact CG-CG 4.17Å; L640-E644 WeakPolarHBondContact O-CB 3.46Å; L640-E644 WeakPolarHBondContact O-CG 3.41Å; L640-E644 PolarHBondContact O-N 3.23Å
641	I	94.4	Very high	89.8	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-52.4	-55.6	179.1	-67.4	163.7	0	0	0	110.8	D637 V638 S643 E644 W645 A688 I690 L705	D637-I641 VanDerWaalsContact O-CG1 3.32Å; D637-I641 WeakPolarHBondContact O-CG1 3.33Å; D637-I641 PolarHBondContact O-N 2.85Å; V638-I641 PolarHBondContact O-N 3.01Å; I641-S643 PolarHBondContact O-N 2.77Å; I641-E644 PolarHBondContact O-N 3.37Å; I641-W645 VanDerWaalsContact O-CD1 3.28Å; I641-W645 PolarHBondContact O-N 3.31Å; I641-A688 HydrophobicContact CB-CB 4.46Å; I641-A688 HydrophobicContact CG1-CB 3.94Å; I641-I690 HydrophobicContact CG2-CD1 4.49Å; I641-L705 HydrophobicContact CD1-CD1 3.77Å; I641-L705 HydrophobicContact CD1-CD2 3.95Å; I641-L705 HydrophobicContact CG1-CD1 4.04Å
642	V	92.5	Very high	89.7	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-43.3	-176.3	176.3	0	0	0	0	111.8	I523 M592 L596 W627 V638 L640 E644 W645 M646	I523-V642 HydrophobicContact CD1-CG1 3.26Å; M592-V642 HydrophobicContact CE-CB 4.41Å; M592-V642 HydrophobicContact CE-CG1 3.94Å; M592-V642 HydrophobicContact CE-CG2 4.02Å; M592-V642 HydrophobicContact SD-CG2 3.89Å; L596-V642 HydrophobicContact CD2-CG2 4.01Å; W627-V642 HydrophobicContact CD2-CB 4.38Å; W627-V642 HydrophobicContact CD2-CG1 4.33Å; W627-V642 HydrophobicContact CD2-CG2 3.88Å; W627-V642 HydrophobicContact CE3-CG2 4.2Å; W627-V642 HydrophobicContact CG-CB 4.14Å; W627-V642 HydrophobicContact CG-CG1 4.3Å; W627-V642 HydrophobicContact CG-CG2 4.02Å; W627-V642 HydrophobicContact CZ2-CG1 4.47Å; V638-V642 HydrophobicContact CG1-CG2 4.29Å; V638-V642 WeakPolarHBondContact O-CG2 3.39Å; V638-V642 PolarHBondContact O-N 2.76Å; L640-V642 PolarHBondContact O-N 2.62Å; V642-E644 VanDerWaalsContact C-N 3.28Å; V642-E644 PolarHBondContact O-N 3.33Å; V642-W645 PolarHBondContact O-N 3.17Å; V642-M646 HydrophobicContact CG1-CG 4.12Å; V642-M646 WeakPolarHBondContact O-CB 3.23Å; V642-M646 WeakPolarHBondContact O-CG 3.31Å; V642-M646 PolarHBondContact O-N 2.94Å
643	S	89.5	Confident	89.8	Confident	51 Å²	51	38.3 Å²	38.3	36%	0.357	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-33.5	-179.6	66.3	0	0	0	0	112.8	E639 L640 I641 M646 S647	E639-S643 WeakPolarHBondContact O-CB 3.5Å; E639-S643 PolarHBondContact O-N 2.78Å; E639-S643 PolarHBondContact O-OG 3.23Å; L640-S643 PolarHBondContact O-N 3.12Å; L640-S643 PolarHBondContact O-OG 3.43Å; I641-S643 PolarHBondContact O-N 2.77Å; S643-M646 PolarHBondContact O-N 3Å; S643-S647 WeakPolarHBondContact O-CB 3.41Å; S643-S647 PolarHBondContact O-N 2.7Å; S643-S647 PolarHBondContact O-OG 3.31Å
644	E	90.3	Very high	90.1	Very high	43 Å²	43	35.1 Å²	35.1	20%	0.201	21%	0.205	C	C	.	.	H	α-helix	trans	-74.2	-34.1	178.7	-65.8	-76.4	-119.8	0	0	112.6	L640 I641 V642 K648	L640-E644 HydrophobicContact CD1-CG 3.71Å; L640-E644 HydrophobicContact CG-CG 4.17Å; L640-E644 WeakPolarHBondContact O-CB 3.46Å; L640-E644 WeakPolarHBondContact O-CG 3.41Å; L640-E644 PolarHBondContact O-N 3.23Å; I641-E644 PolarHBondContact O-N 3.37Å; V642-E644 VanDerWaalsContact C-N 3.28Å; V642-E644 PolarHBondContact O-N 3.33Å; E644-K648 WeakPolarHBondContact O-CB 3.33Å; E644-K648 IonicContact OE1-NZ 2.72Å; E644-K648 PolarHBondContact OE1-NZ 3.34Å; E644-K648 VanDerWaalsContact OE2-CE 3.25Å; E644-K648 WeakPolarHBondContact OE2-CE 3.28Å; E644-K648 IonicContact OE2-NZ 3.57Å; E644-K648 PolarHBondContact OE2-NZ 3.09Å
645	W	90.3	Very high	90.3	Very high	9 Å²	9	35.3 Å²	35.3	3%	0.034	21%	0.206	C	C	.	.	H	α-helix	trans	-72.4	-33.3	171.4	-78.2	93.1	0	0	0	113.1	K588 M592 I641 V642 P652 A688 I689 F733 Y734	K588-W645 VanDerWaalsContact CE-O 3.3Å; K588-W645 WeakPolarHBondContact CE-O 3.12Å; K588-W645 HydrophobicContact CG-CE3 4.17Å; M592-W645 HydrophobicContact CB-CB 4.5Å; M592-W645 HydrophobicContact CB-CG 4.33Å; M592-W645 HydrophobicContact CG-CB 3.88Å; M592-W645 HydrophobicContact CG-CD2 4.29Å; M592-W645 HydrophobicContact CG-CG 3.7Å; I641-W645 VanDerWaalsContact O-CD1 3.28Å; I641-W645 PolarHBondContact O-N 3.31Å; V642-W645 PolarHBondContact O-N 3.17Å; W645-P652 HydrophobicContact CH2-CG 3.89Å; W645-P652 HydrophobicContact CZ2-CG 4.38Å; W645-A688 PolarHBondContact NE1-O 2.86Å; W645-I689 HydrophobicContact CZ2-CG1 4.14Å; W645-I689 HydrophobicContact CZ2-CG2 4.33Å; W645-F733 WeakPolarHBondContact CH2-O 3.24Å; W645-F733 HydrophobicContact CZ3-CB 4.1Å; W645-F733 HydrophobicContact CZ3-CD1 4.38Å; W645-F733 WeakPolarHBondContact CZ3-O 3.42Å; W645-Y734 HydrophobicContact CH2-CD1 4.41Å
646	M	85.8	Confident	90.6	Very high	32 Å²	32	31.8 Å²	31.8	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-87.5	-21.9	-177.2	-65.4	-52.3	-58.7	0	0	114.9	I523 I568 P589 V642 S643	I523-M646 HydrophobicContact CB-CE 3.93Å; I523-M646 HydrophobicContact CB-SD 4.03Å; I523-M646 HydrophobicContact CD1-CG 3.95Å; I523-M646 HydrophobicContact CD1-SD 4.22Å; I523-M646 HydrophobicContact CG2-CE 4.15Å; I568-M646 VanDerWaalsContact CD1-O 3.23Å; I568-M646 WeakPolarHBondContact CD1-O 3.44Å; P589-M646 HydrophobicContact CB-SD 3.83Å; P589-M646 HydrophobicContact CG-SD 4.41Å; V642-M646 HydrophobicContact CG1-CG 4.12Å; V642-M646 WeakPolarHBondContact O-CB 3.23Å; V642-M646 WeakPolarHBondContact O-CG 3.31Å; V642-M646 PolarHBondContact O-N 2.94Å; S643-M646 PolarHBondContact O-N 3Å
647	S	82	Confident	90.8	Very high	77 Å²	77	31.5 Å²	31.5	54%	0.538	17%	0.172	S	C	.	.	H	α-helix	trans	-93.8	-24.1	179.7	64.4	0	0	0	0	114.1	S643	S643-S647 WeakPolarHBondContact O-CB 3.41Å; S643-S647 PolarHBondContact O-N 2.7Å; S643-S647 PolarHBondContact O-OG 3.31Å
648	K	84	Confident	90.9	Very high	29 Å²	29	28.3 Å²	28.3	13%	0.126	16%	0.155	C	C	.	.	S	Bend	trans	-96.4	132.3	-173.3	-75.5	161	166.7	159.5	0	112.4	K588 E644 F685 C686 W687	K588-K648 PolarHBondContact NZ-O 3.38Å; E644-K648 WeakPolarHBondContact O-CB 3.33Å; E644-K648 IonicContact OE1-NZ 2.72Å; E644-K648 PolarHBondContact OE1-NZ 3.34Å; E644-K648 VanDerWaalsContact OE2-CE 3.25Å; E644-K648 WeakPolarHBondContact OE2-CE 3.28Å; E644-K648 IonicContact OE2-NZ 3.57Å; E644-K648 PolarHBondContact OE2-NZ 3.09Å; K648-F685 HydrophobicContact CD-CB 4.13Å; K648-F685 HydrophobicContact CD-CD1 4.31Å; K648-F685 HydrophobicContact CD-CG 4.46Å; K648-F685 HydrophobicContact CG-CB 4.4Å; K648-F685 HydrophobicContact CG-CD1 3.94Å; K648-F685 HydrophobicContact CG-CE1 4.46Å; K648-F685 HydrophobicContact CG-CG 4.24Å; K648-C686 PolarHBondContact NZ-O 3.46Å; K648-W687 HydrophobicContact CB-CZ2 4.01Å
649	P	79.8	Confident	90.9	Very high	22 Å²	22	29.4 Å²	29.4	14%	0.143	16%	0.161	C	C	.	.	S	Bend	trans	-78.6	144.7	178.1	31.9	-34.5	0	0	0	113.1	S566 R673 F685	S566-P649 WeakPolarHBondContact O-CB 3.17Å; P649-R673 PolarHBondContact O-NE 3.05Å; P649-R673 VanDerWaalsContact O-NE 3.12Å; P649-F685 HydrophobicContact CG-CE2 3.7Å; P649-F685 HydrophobicContact CG-CZ 3.87Å
650	G	84.3	Confident	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	65.7	-174.4	-173.3	0	0	0	0	0	113	D561 S566 K588 W687	D561-G650 VanDerWaalsContact CG-CA 3.4Å; D561-G650 VanDerWaalsContact O-CA 3.25Å; D561-G650 WeakPolarHBondContact O-CA 3.4Å; D561-G650 WeakPolarHBondContact OD1-CA 3.38Å; D561-G650 PolarHBondContact OD1-N 2.97Å; D561-G650 WeakPolarHBondContact OD2-CA 3.39Å; D561-G650 PolarHBondContact OD2-N 3.17Å; S566-G650 PolarHBondContact OG-N 3.43Å; K588-G650 WeakPolarHBondContact CE-O 3.3Å; K588-G650 PolarHBondContact NZ-O 2.87Å; G650-W687 VanDerWaalsContact O-CZ2 3.26Å; G650-W687 WeakPolarHBondContact O-CZ2 3.46Å
651	F	88.6	Confident	90.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.			trans	-130.9	163.6	-173.5	55.8	-89.4	0	0	0	110.9	L558 D561 A562 F674 F733 R735	L558-F651 HydrophobicContact CB-CE1 4.32Å; L558-F651 HydrophobicContact CB-CZ 4.17Å; L558-F651 HydrophobicContact CD2-CB 4.43Å; L558-F651 HydrophobicContact CD2-CD1 3.79Å; L558-F651 HydrophobicContact CD2-CD2 3.61Å; L558-F651 HydrophobicContact CD2-CE1 3.9Å; L558-F651 HydrophobicContact CD2-CE2 3.71Å; L558-F651 HydrophobicContact CD2-CG 3.65Å; L558-F651 HydrophobicContact CD2-CZ 3.85Å; L558-F651 WeakPolarHBondContact O-CE1 3.44Å; L558-F651 VanDerWaalsContact O-CZ 3.25Å; L558-F651 WeakPolarHBondContact O-CZ 3.25Å; D561-F651 HydrophobicContact CB-CD1 4.13Å; D561-F651 HydrophobicContact CB-CE1 4.43Å; A562-F651 HydrophobicContact CB-CE1 3.95Å; A562-F651 HydrophobicContact CB-CZ 4.1Å; F651-F674 HydrophobicContact CD2-CB 3.83Å; F651-F674 HydrophobicContact CD2-CG 4.41Å; F651-F674 HydrophobicContact CE1-CD1 4.25Å; F651-F674 HydrophobicContact CE2-CB 3.35Å; F651-F674 AromaticContact CE2-CD1 3.65Å; F651-F674 HydrophobicContact CE2-CD1 3.65Å; F651-F674 HydrophobicContact CE2-CD2 4.22Å; F651-F674 AromaticContact CE2-CG 3.47Å; F651-F674 HydrophobicContact CE2-CG 3.47Å; F651-F674 VanDerWaalsContact CE2-CG 3.47Å; F651-F674 HydrophobicContact CZ-CB 3.85Å; F651-F674 AromaticContact CZ-CD1 3.31Å; F651-F674 HydrophobicContact CZ-CD1 3.31Å; F651-F674 HydrophobicContact CZ-CE1 4.02Å; F651-F674 AromaticContact CZ-CG 3.69Å; F651-F674 HydrophobicContact CZ-CG 3.69Å; F651-F674 PolarHBondContact O-N 2.67Å; F651-F733 HydrophobicContact CB-CD1 3.8Å; F651-F733 HydrophobicContact CB-CE1 4.08Å; F651-F733 WeakPolarHBondContact CB-O 3.48Å; F651-F733 HydrophobicContact CD1-CD1 4.39Å; F651-F733 AromaticContact CD1-CE1 3.9Å; F651-F733 HydrophobicContact CD1-CE1 3.9Å; F651-F733 HydrophobicContact CG-CD1 4.26Å; F651-F733 HydrophobicContact CG-CE1 4.23Å; F651-R735 HydrophobicContact CE2-CB 4.4Å; F651-R735 HydrophobicContact CE2-CG 3.73Å
652	P	92.4	Very high	90.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.4	-179.6	22.4	-25.2	0	0	0	113.2	W645 Q671 T672 W687 I689 Y734 R735	W645-P652 HydrophobicContact CH2-CG 3.89Å; W645-P652 HydrophobicContact CZ2-CG 4.38Å; P652-Q671 HydrophobicContact CB-CB 4.41Å; P652-T672 CarbonylContact C-O 3.49Å; P652-T672 VanDerWaalsContact CA-O 3.24Å; P652-T672 WeakPolarHBondContact CA-O 3.47Å; P652-W687 HydrophobicContact CB-CD2 4.32Å; P652-W687 HydrophobicContact CB-CE3 3.68Å; P652-W687 HydrophobicContact CB-CZ3 4.02Å; P652-W687 HydrophobicContact CG-CB 4.42Å; P652-W687 HydrophobicContact CG-CD2 4.15Å; P652-W687 HydrophobicContact CG-CE3 4.02Å; P652-W687 HydrophobicContact CG-CG 4.35Å; P652-I689 HydrophobicContact CB-CD1 3.64Å; P652-I689 HydrophobicContact CG-CD1 3.44Å; P652-I689 VanDerWaalsContact CG-CD1 3.44Å; P652-I689 HydrophobicContact CG-CG1 3.93Å; P652-Y734 VanDerWaalsContact O-CB 3.31Å; P652-Y734 WeakPolarHBondContact O-CB 3.43Å; P652-R735 PolarHBondContact O-N 3.08Å
653	L	92.5	Very high	90	Very high	33 Å²	33	41.1 Å²	41.1	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.4	153.6	178.4	60.8	0	0	0	107.7	Q671 T672 F674 R735 F737	L653-Q671 WeakPolarHBondContact O-CA 3.48Å; L653-T672 PolarHBondContact N-O 3.46Å; L653-T672 PolarHBondContact O-N 3.04Å; L653-F674 HydrophobicContact CB-CB 4.21Å; L653-F674 HydrophobicContact CB-CD2 4.29Å; L653-F674 HydrophobicContact CD1-CD2 4.3Å; L653-R735 HydrophobicContact CD1-CB 3.71Å; L653-F737 HydrophobicContact CD1-CB 4.05Å; L653-F737 HydrophobicContact CD2-CB 4.46Å; L653-F737 HydrophobicContact CG-CB 4.37Å
654	L	95.1	Very high	90	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.8	171.8	-71.1	-177.3	0	0	0	110.4	Q671 I689 V691 M706 L726 Y734 R735 V736 F737	L654-Q671 HydrophobicContact CD2-CB 3.83Å; L654-I689 HydrophobicContact CD1-CG2 4.43Å; L654-I689 HydrophobicContact CD2-CD1 3.69Å; L654-I689 HydrophobicContact CG-CD1 4.4Å; L654-V691 HydrophobicContact CD1-CG1 4.49Å; L654-V691 HydrophobicContact CD1-CG2 3.95Å; L654-M706 HydrophobicContact CD2-SD 3.81Å; L654-L726 HydrophobicContact CD1-CD1 4.32Å; L654-Y734 HydrophobicContact CD1-CD2 3.74Å; L654-Y734 HydrophobicContact CD1-CE2 3.59Å; L654-Y734 HydrophobicContact CD1-CG 4.49Å; L654-Y734 HydrophobicContact CG-CD2 4.19Å; L654-R735 PolarHBondContact N-O 3.01Å; L654-V736 CarbonylContact O-C 3.08Å; L654-V736 WeakPolarHBondContact O-CA 3.45Å; L654-V736 WeakPolarHBondContact O-CG1 3.25Å; L654-F737 PolarHBondContact O-N 2.73Å
655	C	95.6	Very high	90.2	Very high	35 Å²	35	40.3 Å²	40.3	24%	0.236	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.6	163.5	-65.9	0	0	0	0	109.2	L669 K670 F737	C655-L669 WeakPolarHBondContact O-CA 3.44Å; C655-K670 HydrophobicContact CB-CB 4.27Å; C655-K670 PolarHBondContact N-O 3.33Å; C655-K670 PolarHBondContact O-N 3.4Å; C655-F737 WeakPolarHBondContact CA-O 3.23Å
656	A	97.4	Very high	90.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	114.9	-172.9	0	0	0	0	0	110.9	L667 L669 L726 V736 F737 Y738 G739 L742	A656-L667 HydrophobicContact CB-CD1 4.13Å; A656-L669 HydrophobicContact CB-CD2 4.09Å; A656-L726 HydrophobicContact CB-CD1 3.77Å; A656-V736 HydrophobicContact CB-CG1 4.19Å; A656-F737 PolarHBondContact N-O 3.2Å; A656-Y738 HydrophobicContact CB-CD1 4.28Å; A656-G739 PolarHBondContact O-N 3.14Å; A656-L742 HydrophobicContact CB-CD1 4.48Å
657	E	96.9	Very high	91	Very high	102 Å²	102	38.4 Å²	38.4	48%	0.477	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.7	-178.3	-56	-157.9	136.7	0	0	111.7	R668	E657-R668 PolarHBondContact N-O 3.17Å; E657-R668 VanDerWaalsContact N-O 3.09Å; E657-R668 PolarHBondContact O-N 2.97Å
658	I	97	Very high	91.8	Very high	22 Å²	22	39.8 Å²	39.8	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.8	176.3	-55.7	-58.3	0	0	0	109.8	W660 A665 L667 L715 F718 L742	I658-W660 HydrophobicContact CG2-CD2 4.08Å; I658-W660 HydrophobicContact CG2-CG 4.47Å; I658-W660 HydrophobicContact CG2-CH2 4.35Å; I658-W660 HydrophobicContact CG2-CZ2 3.7Å; I658-A665 HydrophobicContact CG2-CB 4.04Å; I658-L667 HydrophobicContact CD1-CB 4.06Å; I658-L667 HydrophobicContact CD1-CD1 4.06Å; I658-L715 HydrophobicContact CD1-CD1 3.71Å; I658-F718 HydrophobicContact CD1-CE1 4.09Å; I658-F718 HydrophobicContact CD1-CZ 4.43Å; I658-F718 HydrophobicContact CG1-CE1 4Å; I658-F718 HydrophobicContact CG1-CZ 4.46Å; I658-F718 HydrophobicContact CG2-CE1 4.46Å; I658-L742 HydrophobicContact CD1-CD1 4.06Å; I658-L742 HydrophobicContact CD1-CD2 4.07Å; I658-L742 HydrophobicContact CD1-CG 4.38Å; I658-L742 HydrophobicContact CG1-CD1 4.01Å; I658-L742 HydrophobicContact CG1-CD2 3.66Å; I658-L742 HydrophobicContact CG1-CG 3.85Å
659	D	94.7	Very high	92.4	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.118	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	135.8	163.3	-161.7	4.1	0	0	0	111.1	S661 V666 R668	D659-S661 VanDerWaalsContact OD1-CB 3.3Å; D659-S661 WeakPolarHBondContact OD1-CB 3.41Å; D659-S661 PolarHBondContact OD1-N 2.96Å; D659-S661 PolarHBondContact OD1-OG 3.37Å; D659-S661 WeakPolarHBondContact OD2-CB 3.5Å; D659-S661 PolarHBondContact OD2-OG 2.94Å; D659-V666 PolarHBondContact N-O 3.19Å; D659-V666 PolarHBondContact O-N 3.39Å; D659-V666 VanDerWaalsContact O-N 3.12Å; D659-R668 VanDerWaalsContact CG-CZ 3.45Å; D659-R668 VanDerWaalsContact CG-NH1 3.31Å; D659-R668 IonicContact OD1-NH2 2.69Å; D659-R668 PolarHBondContact OD1-NH2 3.34Å; D659-R668 IonicContact OD2-CZ 2.63Å; D659-R668 VanDerWaalsContact OD2-CZ 3.29Å; D659-R668 IonicContact OD2-NH1 3.94Å; D659-R668 PolarHBondContact OD2-NH1 3.23Å; D659-R668 IonicContact OD2-NH2 2.64Å; D659-R668 PolarHBondContact OD2-NH2 3.11Å
660	W	93.5	Very high	93.2	Very high	75 Å²	75	41.4 Å²	41.4	28%	0.284	22%	0.217	S	C	.	.			trans	-113.1	11.4	174.7	-61.4	104	0	0	0	111.9	I658 K662 A665 F718 R720 E741	I658-W660 HydrophobicContact CG2-CD2 4.08Å; I658-W660 HydrophobicContact CG2-CG 4.47Å; I658-W660 HydrophobicContact CG2-CH2 4.35Å; I658-W660 HydrophobicContact CG2-CZ2 3.7Å; W660-K662 VanDerWaalsContact C-N 3.27Å; W660-K662 PolarHBondContact O-N 3.33Å; W660-A665 HydrophobicContact CE3-CB 4.15Å; W660-A665 HydrophobicContact CH2-CB 3.89Å; W660-A665 HydrophobicContact CZ3-CB 3.65Å; W660-F718 AromaticContact CH2-CD1 3.98Å; W660-F718 HydrophobicContact CH2-CD1 3.98Å; W660-F718 HydrophobicContact CH2-CE1 4.2Å; W660-F718 HydrophobicContact CZ2-CD1 4.44Å; W660-F718 HydrophobicContact CZ2-CE1 4.22Å; W660-R720 HydrophobicContact CD2-CG 4.17Å; W660-R720 HydrophobicContact CE3-CG 4.35Å; W660-R720 HydrophobicContact CH2-CB 4.39Å; W660-R720 HydrophobicContact CH2-CG 3.61Å; W660-R720 HydrophobicContact CZ2-CB 4.22Å; W660-R720 HydrophobicContact CZ2-CG 3.33Å; W660-R720 HydrophobicContact CZ3-CG 4.09Å; W660-E741 PolarHBondContact NE1-OE2 2.89Å
661	S	89.7	Confident	93.7	Very high	87 Å²	87	41.4 Å²	41.4	61%	0.608	22%	0.217	S	C	*	.	S	Bend	trans	-67.5	-24.2	176.4	70.6	0	0	0	0	113.9	D659	D659-S661 VanDerWaalsContact OD1-CB 3.3Å; D659-S661 WeakPolarHBondContact OD1-CB 3.41Å; D659-S661 PolarHBondContact OD1-N 2.96Å; D659-S661 PolarHBondContact OD1-OG 3.37Å; D659-S661 WeakPolarHBondContact OD2-CB 3.5Å; D659-S661 PolarHBondContact OD2-OG 2.94Å
662	K	86.3	Confident	93.9	Very high	81 Å²	81	43.2 Å²	43.2	35%	0.352	23%	0.228	S	C	.	.	S	Bend	trans	-103.8	153.6	179.9	-65.4	162.3	-171.5	168.6	0	109.5	W660 T664 V666 E712	W660-K662 VanDerWaalsContact C-N 3.27Å; W660-K662 PolarHBondContact O-N 3.33Å; K662-T664 PolarHBondContact O-N 2.99Å; K662-V666 HydrophobicContact CB-CG2 4.48Å; K662-V666 HydrophobicContact CD-CG2 3.72Å; K662-E712 IonicContact NZ-OE1 3.29Å; K662-E712 PolarHBondContact NZ-OE1 3.18Å; K662-E712 IonicContact NZ-OE2 2.85Å; K662-E712 PolarHBondContact NZ-OE2 3.45Å
663	P	84.3	Confident	93.7	Very high	143 Å²	143	44.8 Å²	44.8	93%	0.929	23%	0.234	S	C	*	.	S	Bend	trans	-61.1	-27.3	-179.3	-24.7	34.9	0	0	0	114.2
664	T	89.9	Confident	93.4	Very high	73 Å²	73	45.9 Å²	45.9	45%	0.448	24%	0.237	S	C	.	.	S	Bend	trans	-100	140	167.6	46.1	0	0	0	0	109.8	K662 V666	K662-T664 PolarHBondContact O-N 2.99Å; T664-V666 PolarHBondContact O-N 2.82Å
665	A	93.4	Very high	92.8	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.033	24%	0.239	C	C	.	.			trans	-60.9	134	175.2	0	0	0	0	0	110.6	I658 W660 L715 F718	I658-A665 HydrophobicContact CG2-CB 4.04Å; W660-A665 HydrophobicContact CE3-CB 4.15Å; W660-A665 HydrophobicContact CH2-CB 3.89Å; W660-A665 HydrophobicContact CZ3-CB 3.65Å; A665-L715 HydrophobicContact CB-CB 4.42Å; A665-L715 PolarHBondContact O-N 3.03Å; A665-F718 HydrophobicContact CB-CB 4.32Å; A665-F718 HydrophobicContact CB-CD1 3.81Å
666	V	96.5	Very high	91.8	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.9	175.8	176.6	0	0	0	0	109.5	D659 K662 T664 R668 E712 I713 V714	D659-V666 PolarHBondContact N-O 3.19Å; D659-V666 PolarHBondContact O-N 3.39Å; D659-V666 VanDerWaalsContact O-N 3.12Å; K662-V666 HydrophobicContact CB-CG2 4.48Å; K662-V666 HydrophobicContact CD-CG2 3.72Å; T664-V666 PolarHBondContact O-N 2.82Å; V666-R668 PolarHBondContact O-N 3Å; V666-E712 HydrophobicContact CG1-CB 3.71Å; V666-E712 HydrophobicContact CG1-CG 3.77Å; V666-I713 WeakPolarHBondContact CA-O 3.17Å; V666-V714 HydrophobicContact CG2-CG2 4.18Å
667	L	97.3	Very high	90.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.7	168.6	170	64.9	0	0	0	108.6	A656 I658 L669 E712 I713 L715 L724 L726 L742	A656-L667 HydrophobicContact CB-CD1 4.13Å; I658-L667 HydrophobicContact CD1-CB 4.06Å; I658-L667 HydrophobicContact CD1-CD1 4.06Å; L667-L669 HydrophobicContact CD1-CD2 3.95Å; L667-L669 HydrophobicContact CD2-CD2 3.98Å; L667-L669 HydrophobicContact CD2-CG 4.38Å; L667-L669 HydrophobicContact CG-CD2 3.86Å; L667-L669 HydrophobicContact CG-CG 4.16Å; L667-E712 WeakPolarHBondContact O-CA 3.19Å; L667-I713 HydrophobicContact CB-CB 4.27Å; L667-I713 HydrophobicContact CD2-CB 4.48Å; L667-I713 HydrophobicContact CD2-CD1 4.2Å; L667-I713 PolarHBondContact N-O 3.23Å; L667-I713 PolarHBondContact O-N 2.9Å; L667-L715 HydrophobicContact CB-CD1 4.08Å; L667-L715 HydrophobicContact CB-CD2 4.28Å; L667-L715 HydrophobicContact CB-CG 4.16Å; L667-L724 HydrophobicContact CD1-CD2 4.41Å; L667-L724 HydrophobicContact CD2-CD1 3.96Å; L667-L724 HydrophobicContact CD2-CD2 3.96Å; L667-L726 HydrophobicContact CD2-CD2 4.09Å; L667-L742 HydrophobicContact CD1-CD1 4.32Å
668	R	97.6	Very high	89	Confident	107 Å²	107	45 Å²	45	40%	0.404	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.4	165.1	-78.9	-165.5	-79.3	-110.5	-6	109.2	E657 D659 V666 E712	E657-R668 PolarHBondContact N-O 3.17Å; E657-R668 VanDerWaalsContact N-O 3.09Å; E657-R668 PolarHBondContact O-N 2.97Å; D659-R668 VanDerWaalsContact CG-CZ 3.45Å; D659-R668 VanDerWaalsContact CG-NH1 3.31Å; D659-R668 IonicContact OD1-NH2 2.69Å; D659-R668 PolarHBondContact OD1-NH2 3.34Å; D659-R668 IonicContact OD2-CZ 2.63Å; D659-R668 VanDerWaalsContact OD2-CZ 3.29Å; D659-R668 IonicContact OD2-NH1 3.94Å; D659-R668 PolarHBondContact OD2-NH1 3.23Å; D659-R668 IonicContact OD2-NH2 2.64Å; D659-R668 PolarHBondContact OD2-NH2 3.11Å; V666-R668 PolarHBondContact O-N 3Å; R668-E712 HydrophobicContact CG-CG 4.17Å
669	L	97.9	Very high	87.6	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134	170.8	-63.2	-177.3	0	0	0	109.4	C655 A656 L667 V691 M706 E710 D711 I713 L726	C655-L669 WeakPolarHBondContact O-CA 3.44Å; A656-L669 HydrophobicContact CB-CD2 4.09Å; L667-L669 HydrophobicContact CD1-CD2 3.95Å; L667-L669 HydrophobicContact CD2-CD2 3.98Å; L667-L669 HydrophobicContact CD2-CG 4.38Å; L667-L669 HydrophobicContact CG-CD2 3.86Å; L667-L669 HydrophobicContact CG-CG 4.16Å; L669-V691 HydrophobicContact CD1-CG1 4.36Å; L669-V691 HydrophobicContact CD1-CG2 4.21Å; L669-M706 HydrophobicContact CB-CE 3.74Å; L669-M706 HydrophobicContact CB-SD 3.86Å; L669-M706 HydrophobicContact CD1-SD 4.18Å; L669-M706 WeakPolarHBondContact O-CE 3.19Å; L669-E710 CarbonylContact O-C 3.54Å; L669-E710 VanDerWaalsContact O-CA 3.27Å; L669-E710 WeakPolarHBondContact O-CA 3.43Å; L669-D711 PolarHBondContact N-O 3.21Å; L669-D711 PolarHBondContact O-N 3.45Å; L669-I713 HydrophobicContact CD1-CD1 3.74Å; L669-I713 HydrophobicContact CD1-CG1 4.45Å; L669-L726 HydrophobicContact CD2-CD1 3.62Å
670	K	96.5	Very high	86.2	Confident	82 Å²	82	53.2 Å²	53.2	36%	0.357	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.4	167.4	177.6	167.3	-170.9	145.5	0	109.5	C655 Q709 E710	C655-K670 HydrophobicContact CB-CB 4.27Å; C655-K670 PolarHBondContact N-O 3.33Å; C655-K670 PolarHBondContact O-N 3.4Å; K670-Q709 WeakPolarHBondContact CA-O 3.24Å; K670-E710 HydrophobicContact CB-CG 3.96Å; K670-E710 HydrophobicContact CD-CG 3.98Å; K670-E710 VanDerWaalsContact CD-OE1 3.31Å; K670-E710 WeakPolarHBondContact CD-OE1 3.22Å; K670-E710 VanDerWaalsContact CE-OE1 3.27Å; K670-E710 WeakPolarHBondContact CE-OE1 3.44Å; K670-E710 HydrophobicContact CG-CG 3.79Å; K670-E710 IonicContact NZ-OE1 2.95Å; K670-E710 PolarHBondContact NZ-OE1 3.43Å
671	Q	94.4	Very high	84.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.9	173.5	60.3	172.9	-58.6	0	0	112	P652 L653 L654 C686 W687 I689 M706 K708 Q709	P652-Q671 HydrophobicContact CB-CB 4.41Å; L653-Q671 WeakPolarHBondContact O-CA 3.48Å; L654-Q671 HydrophobicContact CD2-CB 3.83Å; Q671-C686 PolarHBondContact NE2-SG 2.98Å; Q671-W687 PolarHBondContact NE2-O 2.75Å; Q671-I689 HydrophobicContact CB-CD1 4.06Å; Q671-I689 HydrophobicContact CG-CD1 4.5Å; Q671-M706 HydrophobicContact CB-CE 4.29Å; Q671-M706 HydrophobicContact CG-CE 4.1Å; Q671-K708 PolarHBondContact NE2-O 2.92Å; Q671-Q709 WeakPolarHBondContact CG-O 3.23Å; Q671-Q709 PolarHBondContact N-O 3.19Å; Q671-Q709 PolarHBondContact O-NE2 2.78Å
672	T	92.1	Very high	83.1	Confident	37 Å²	37	55.7 Å²	55.7	23%	0.227	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	168	165.7	60.2	0	0	0	0	109.2	P652 L653	P652-T672 CarbonylContact C-O 3.49Å; P652-T672 VanDerWaalsContact CA-O 3.24Å; P652-T672 WeakPolarHBondContact CA-O 3.47Å; L653-T672 PolarHBondContact N-O 3.46Å; L653-T672 PolarHBondContact O-N 3.04Å
673	R	89.3	Confident	82.1	Confident	34 Å²	34	59 Å²	59	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.5	170.3	-180	175.4	-174.8	-154	2.3	109.5	S563 R564 S566 P649 I675 W687	S563-R673 PolarHBondContact O-NH2 3.01Å; R564-R673 PolarHBondContact O-NH1 3.34Å; R564-R673 PolarHBondContact O-NH2 3.49Å; S566-R673 PolarHBondContact OG-NH2 3.28Å; P649-R673 PolarHBondContact O-NE 3.05Å; P649-R673 VanDerWaalsContact O-NE 3.12Å; R673-I675 HydrophobicContact CG-CD1 4.35Å; R673-I675 HydrophobicContact CG-CG1 3.85Å; R673-W687 HydrophobicContact CB-CH2 3.82Å; R673-W687 HydrophobicContact CB-CZ3 4.2Å; R673-W687 HydrophobicContact CG-CH2 3.94Å
674	F	86.6	Confident	81.4	Confident	55 Å²	55	58.6 Å²	58.6	24%	0.241	31%	0.307	C	S	.	.			trans	-72.9	130.8	165	-171.1	-84.8	0	0	0	109.8	A562 F651 L653 R735	A562-F674 HydrophobicContact CB-CD1 3.8Å; A562-F674 HydrophobicContact CB-CE1 3.84Å; F651-F674 HydrophobicContact CD2-CB 3.83Å; F651-F674 HydrophobicContact CD2-CG 4.41Å; F651-F674 HydrophobicContact CE1-CD1 4.25Å; F651-F674 HydrophobicContact CE2-CB 3.35Å; F651-F674 AromaticContact CE2-CD1 3.65Å; F651-F674 HydrophobicContact CE2-CD1 3.65Å; F651-F674 HydrophobicContact CE2-CD2 4.22Å; F651-F674 AromaticContact CE2-CG 3.47Å; F651-F674 HydrophobicContact CE2-CG 3.47Å; F651-F674 VanDerWaalsContact CE2-CG 3.47Å; F651-F674 HydrophobicContact CZ-CB 3.85Å; F651-F674 AromaticContact CZ-CD1 3.31Å; F651-F674 HydrophobicContact CZ-CD1 3.31Å; F651-F674 HydrophobicContact CZ-CE1 4.02Å; F651-F674 AromaticContact CZ-CG 3.69Å; F651-F674 HydrophobicContact CZ-CG 3.69Å; F651-F674 PolarHBondContact O-N 2.67Å; L653-F674 HydrophobicContact CB-CB 4.21Å; L653-F674 HydrophobicContact CB-CD2 4.29Å; L653-F674 HydrophobicContact CD1-CD2 4.3Å; F674-R735 HydrophobicContact CD2-CB 4.14Å; F674-R735 HydrophobicContact CD2-CG 4.1Å; F674-R735 HydrophobicContact CE2-CB 4.46Å; F674-R735 HydrophobicContact CE2-CG 4.17Å
675	I	81.3	Confident	81.2	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.046	29%	0.294	C	S	.	.			trans	-133.3	135.4	176.1	-55.1	-174.8	0	0	0	108.8	A562 R564 R673 D677 G678 G681	A562-I675 WeakPolarHBondContact O-CA 3.29Å; R564-I675 HydrophobicContact CB-CG2 4.05Å; R673-I675 HydrophobicContact CG-CD1 4.35Å; R673-I675 HydrophobicContact CG-CG1 3.85Å; I675-D677 WeakPolarHBondContact CG2-OD1 3.43Å; I675-D677 PolarHBondContact O-N 3.11Å; I675-D677 VanDerWaalsContact O-N 3.16Å; I675-G678 PolarHBondContact O-N 2.83Å; I675-G678 VanDerWaalsContact O-N 3.08Å; I675-G681 VanDerWaalsContact CD1-CA 3.44Å
676	E	74.5	Confident	81	Confident	7 Å²	7	58.4 Å²	58.4	3%	0.033	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-42.7	178.2	70.4	-160	163.2	0	0	113.8	A562 S563 R564 G678 V1026 R1029 I1030 Q1033	A562-E676 HydrophobicContact CB-CB 4.33Å; A562-E676 PolarHBondContact O-N 2.89Å; S563-E676 WeakPolarHBondContact CA-OE2 3.26Å; R564-E676 PolarHBondContact N-OE1 3.01Å; R564-E676 VanDerWaalsContact N-OE1 3.15Å; E676-G678 VanDerWaalsContact C-N 3.27Å; E676-G678 PolarHBondContact O-N 3.19Å; E676-V1026 VanDerWaalsContact OE2-CA 3.27Å; E676-V1026 WeakPolarHBondContact OE2-CA 3.33Å; E676-V1026 WeakPolarHBondContact OE2-CB 3.41Å; E676-V1026 WeakPolarHBondContact OE2-CG1 3.47Å; E676-V1026 VanDerWaalsContact OE2-CG2 3.27Å; E676-V1026 WeakPolarHBondContact OE2-CG2 3.31Å; E676-R1029 WeakPolarHBondContact OE1-CD 3.42Å; E676-R1029 IonicContact OE1-CZ 2.72Å; E676-R1029 IonicContact OE1-NE 3.45Å; E676-R1029 IonicContact OE1-NH1 3.59Å; E676-R1029 PolarHBondContact OE1-NH1 3.16Å; E676-I1030 HydrophobicContact CB-CG1 4.22Å; E676-Q1033 VanDerWaalsContact O-CD 3.24Å; E676-Q1033 PolarHBondContact O-NE2 3.05Å; E676-Q1033 PolarHBondContact O-OE1 2.88Å
677	D	69.7	Low	80.9	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.203	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.2	-172.1	61.2	35	0	0	0	113.6	R564 I675 T679 Q1033	R564-D677 IonicContact CZ-OD2 2.68Å; R564-D677 IonicContact NE-OD2 2.76Å; R564-D677 PolarHBondContact NE-OD2 3.07Å; R564-D677 VanDerWaalsContact NH2-CG 3.33Å; R564-D677 IonicContact NH2-OD1 2.67Å; R564-D677 PolarHBondContact NH2-OD1 3.13Å; R564-D677 IonicContact NH2-OD2 2.67Å; R564-D677 PolarHBondContact NH2-OD2 2.86Å; I675-D677 WeakPolarHBondContact CG2-OD1 3.43Å; I675-D677 PolarHBondContact O-N 3.11Å; I675-D677 VanDerWaalsContact O-N 3.16Å; D677-T679 PolarHBondContact O-N 3.17Å; D677-T679 VanDerWaalsContact OD1-CB 3.29Å; D677-T679 WeakPolarHBondContact OD1-CB 3.48Å; D677-T679 WeakPolarHBondContact OD1-CG2 3.49Å; D677-T679 PolarHBondContact OD1-N 2.96Å; D677-T679 PolarHBondContact OD1-OG1 3.43Å; D677-Q1033 VanDerWaalsContact CA-NE2 3.3Å; D677-Q1033 PolarHBondContact O-NE2 3.4Å
678	G	66.6	Low	80.8	Confident	66 Å²	66	58.6 Å²	58.6	68%	0.68	30%	0.304	S	S	*	.			trans	71.1	3.9	180	0	0	0	0	0	114.8	I675 E676	I675-G678 PolarHBondContact O-N 2.83Å; I675-G678 VanDerWaalsContact O-N 3.08Å; E676-G678 VanDerWaalsContact C-N 3.27Å; E676-G678 PolarHBondContact O-N 3.19Å
679	T	68.3	Low	80.7	Confident	60 Å²	60	53.5 Å²	53.5	37%	0.368	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-86.2	155.1	178.6	71.4	0	0	0	0	112.2	R564 D677 G681	R564-T679 PolarHBondContact NH2-OG1 3.48Å; D677-T679 PolarHBondContact O-N 3.17Å; D677-T679 VanDerWaalsContact OD1-CB 3.29Å; D677-T679 WeakPolarHBondContact OD1-CB 3.48Å; D677-T679 WeakPolarHBondContact OD1-CG2 3.49Å; D677-T679 PolarHBondContact OD1-N 2.96Å; D677-T679 PolarHBondContact OD1-OG1 3.43Å; T679-G681 PolarHBondContact O-N 3.48Å
680	N	65.5	Low	80.7	Confident	156 Å²	156	53.6 Å²	53.6	83%	0.834	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-66.3	128.3	170.4	-71.8	-8	0	0	0	110.2
681	G	59.7	Low	80.7	Confident	24 Å²	24	49.7 Å²	49.7	25%	0.247	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.2	144.5	174.9	0	0	0	0	0	112.3	I675 T679 K683	I675-G681 VanDerWaalsContact CD1-CA 3.44Å; T679-G681 PolarHBondContact O-N 3.48Å; G681-K683 PolarHBondContact O-N 3.37Å
682	Q	57	Low	80.8	Confident	190 Å²	190	50.2 Å²	50.2	89%	0.888	27%	0.271	S	S	*	.	S	Bend	trans	-59.7	-10.7	178	-70.3	-178.6	-20.1	0	0	114.7
683	K	65.2	Low	81.1	Confident	150 Å²	150	49.3 Å²	49.3	65%	0.652	26%	0.263	S	S	*	.	S	Bend	trans	-139.3	129.4	171.1	-62.1	-171.8	178.7	-172.2	0	108	G681 F685	G681-K683 PolarHBondContact O-N 3.37Å; K683-F685 HydrophobicContact CB-CE1 4.35Å; K683-F685 HydrophobicContact CB-CZ 4.24Å
684	E	71.1	Confident	81.4	Confident	135 Å²	135	48 Å²	48	63%	0.631	26%	0.259	S	S	*	.			trans	-71.4	139.5	163	-64.5	-168.3	138.3	0	0	108.9
685	F	83.9	Confident	81.8	Confident	43 Å²	43	46.3 Å²	46.3	19%	0.189	25%	0.251	C	S	.	.			trans	-118.9	139.5	171.8	-62.2	-64.4	0	0	0	108.3	K648 P649 K683 W687 Q709	K648-F685 HydrophobicContact CD-CB 4.13Å; K648-F685 HydrophobicContact CD-CD1 4.31Å; K648-F685 HydrophobicContact CD-CG 4.46Å; K648-F685 HydrophobicContact CG-CB 4.4Å; K648-F685 HydrophobicContact CG-CD1 3.94Å; K648-F685 HydrophobicContact CG-CE1 4.46Å; K648-F685 HydrophobicContact CG-CG 4.24Å; P649-F685 HydrophobicContact CG-CE2 3.7Å; P649-F685 HydrophobicContact CG-CZ 3.87Å; K683-F685 HydrophobicContact CB-CE1 4.35Å; K683-F685 HydrophobicContact CB-CZ 4.24Å; F685-W687 HydrophobicContact CB-CE3 4.14Å; F685-W687 HydrophobicContact CB-CH2 3.73Å; F685-W687 HydrophobicContact CB-CZ2 4.09Å; F685-W687 HydrophobicContact CB-CZ3 3.75Å; F685-W687 HydrophobicContact CD2-CH2 4.09Å; F685-W687 HydrophobicContact CD2-CZ2 4.38Å; F685-W687 HydrophobicContact CG-CH2 4.37Å; F685-Q709 PolarHBondContact O-NE2 3.45Å; F685-Q709 VanDerWaalsContact O-NE2 3.08Å
686	C	90.4	Very high	82.4	Confident	30 Å²	30	51 Å²	51	20%	0.203	27%	0.271	C	S	.	.			trans	-107.5	109.5	171.1	-173.4	0	0	0	0	107.8	K648 Q671 T707 Q709	K648-C686 PolarHBondContact NZ-O 3.46Å; Q671-C686 PolarHBondContact NE2-SG 2.98Å; C686-T707 PolarHBondContact SG-O 2.84Å; C686-T707 VanDerWaalsContact SG-O 3.42Å; C686-Q709 VanDerWaalsContact CB-OE1 3.26Å; C686-Q709 PolarHBondContact SG-N 3.2Å; C686-Q709 VanDerWaalsContact SG-N 3.44Å
687	W	93.5	Very high	83.2	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	29%	0.287	C	S	.	.			trans	-85.5	151.6	170.3	-69.7	-93.7	0	0	0	110	K648 G650 P652 Q671 R673 F685 I689	K648-W687 HydrophobicContact CB-CZ2 4.01Å; G650-W687 VanDerWaalsContact O-CZ2 3.26Å; G650-W687 WeakPolarHBondContact O-CZ2 3.46Å; P652-W687 HydrophobicContact CB-CD2 4.32Å; P652-W687 HydrophobicContact CB-CE3 3.68Å; P652-W687 HydrophobicContact CB-CZ3 4.02Å; P652-W687 HydrophobicContact CG-CB 4.42Å; P652-W687 HydrophobicContact CG-CD2 4.15Å; P652-W687 HydrophobicContact CG-CE3 4.02Å; P652-W687 HydrophobicContact CG-CG 4.35Å; Q671-W687 PolarHBondContact NE2-O 2.75Å; R673-W687 HydrophobicContact CB-CH2 3.82Å; R673-W687 HydrophobicContact CB-CZ3 4.2Å; R673-W687 HydrophobicContact CG-CH2 3.94Å; F685-W687 HydrophobicContact CB-CE3 4.14Å; F685-W687 HydrophobicContact CB-CH2 3.73Å; F685-W687 HydrophobicContact CB-CZ2 4.09Å; F685-W687 HydrophobicContact CB-CZ3 3.75Å; F685-W687 HydrophobicContact CD2-CH2 4.09Å; F685-W687 HydrophobicContact CD2-CZ2 4.38Å; F685-W687 HydrophobicContact CG-CH2 4.37Å; W687-I689 HydrophobicContact CB-CD1 4.26Å; W687-I689 HydrophobicContact CB-CG1 3.68Å; W687-I689 PolarHBondContact O-N 3.31Å
688	A	95.8	Very high	84.2	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.033	29%	0.288	C	S	.	.			trans	-83	98.5	163.5	0	0	0	0	0	108.4	I641 W645 M706 T707	I641-A688 HydrophobicContact CB-CB 4.46Å; I641-A688 HydrophobicContact CG1-CB 3.94Å; W645-A688 PolarHBondContact NE1-O 2.86Å; A688-M706 CarbonylContact C-O 3.33Å; A688-M706 WeakPolarHBondContact CA-O 3.24Å; A688-T707 HydrophobicContact CB-CG2 4.49Å
689	I	95.8	Very high	85.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.3	-169	-53.6	166.8	0	0	0	110	W645 P652 L654 Q671 W687 V691 M706 Y734	W645-I689 HydrophobicContact CZ2-CG1 4.14Å; W645-I689 HydrophobicContact CZ2-CG2 4.33Å; P652-I689 HydrophobicContact CB-CD1 3.64Å; P652-I689 HydrophobicContact CG-CD1 3.44Å; P652-I689 VanDerWaalsContact CG-CD1 3.44Å; P652-I689 HydrophobicContact CG-CG1 3.93Å; L654-I689 HydrophobicContact CD1-CG2 4.43Å; L654-I689 HydrophobicContact CD2-CD1 3.69Å; L654-I689 HydrophobicContact CG-CD1 4.4Å; Q671-I689 HydrophobicContact CB-CD1 4.06Å; Q671-I689 HydrophobicContact CG-CD1 4.5Å; W687-I689 HydrophobicContact CB-CD1 4.26Å; W687-I689 HydrophobicContact CB-CG1 3.68Å; W687-I689 PolarHBondContact O-N 3.31Å; I689-V691 HydrophobicContact CB-CG2 4.3Å; I689-V691 HydrophobicContact CG2-CG2 3.82Å; I689-V691 PolarHBondContact O-N 3.11Å; I689-M706 HydrophobicContact CB-CB 4.39Å; I689-M706 PolarHBondContact N-O 2.96Å; I689-M706 PolarHBondContact O-N 2.72Å; I689-Y734 HydrophobicContact CG2-CD1 4.01Å; I689-Y734 HydrophobicContact CG2-CE1 3.88Å
690	I	97.5	Very high	86.5	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	99.4	165.3	-63.3	169.3	0	0	0	107.5	L595 L596 F599 I641 M692 F703 L705	L595-I690 HydrophobicContact CB-CB 4.22Å; L595-I690 HydrophobicContact CB-CD1 4.44Å; L595-I690 HydrophobicContact CB-CG2 4.13Å; L595-I690 HydrophobicContact CD1-CB 4.41Å; L595-I690 WeakPolarHBondContact CD1-O 3.33Å; L595-I690 HydrophobicContact CD2-CG2 4.48Å; L596-I690 HydrophobicContact CB-CD1 4.37Å; L596-I690 HydrophobicContact CD1-CD1 4.05Å; F599-I690 HydrophobicContact CB-CD1 3.94Å; F599-I690 HydrophobicContact CB-CG2 3.9Å; F599-I690 HydrophobicContact CD1-CD1 3.87Å; F599-I690 HydrophobicContact CD1-CG1 4.19Å; F599-I690 HydrophobicContact CD2-CG2 4.3Å; F599-I690 HydrophobicContact CG-CD1 4.09Å; F599-I690 HydrophobicContact CG-CG1 4.31Å; F599-I690 HydrophobicContact CG-CG2 4.12Å; I641-I690 HydrophobicContact CG2-CD1 4.49Å; I690-M692 PolarHBondContact O-N 3.38Å; I690-F703 HydrophobicContact CG2-CD1 3.86Å; I690-F703 HydrophobicContact CG2-CE1 4.45Å; I690-L705 HydrophobicContact CG1-CD1 4Å
691	V	97	Very high	87.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	100.9	177.3	-175	0	0	0	0	108.3	L654 L669 I689 Y693 F703 H704 M706 L726	L654-V691 HydrophobicContact CD1-CG1 4.49Å; L654-V691 HydrophobicContact CD1-CG2 3.95Å; L669-V691 HydrophobicContact CD1-CG1 4.36Å; L669-V691 HydrophobicContact CD1-CG2 4.21Å; I689-V691 HydrophobicContact CB-CG2 4.3Å; I689-V691 HydrophobicContact CG2-CG2 3.82Å; I689-V691 PolarHBondContact O-N 3.11Å; V691-Y693 HydrophobicContact CG1-CD1 4.35Å; V691-Y693 WeakPolarHBondContact O-CD1 3.44Å; V691-F703 CarbonylContact O-C 3.59Å; V691-F703 WeakPolarHBondContact O-CA 3.27Å; V691-H704 HydrophobicContact CB-CB 4.42Å; V691-H704 PolarHBondContact N-O 3.48Å; V691-H704 PolarHBondContact O-N 3.07Å; V691-M706 HydrophobicContact CG2-CB 4.2Å; V691-L726 HydrophobicContact CG1-CD1 4.45Å; V691-L726 HydrophobicContact CG1-CD2 3.91Å
692	M	96.9	Very high	89.5	Confident	11 Å²	11	57.5 Å²	57.5	5%	0.054	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.9	169	-168.3	-175.2	178.7	0	0	108.9	L595 I690 P701 L702 F703 N727 W728	L595-M692 HydrophobicContact CD2-CB 4.03Å; I690-M692 PolarHBondContact O-N 3.38Å; M692-P701 HydrophobicContact CE-CB 3.57Å; M692-P701 HydrophobicContact CE-CG 4.03Å; M692-P701 HydrophobicContact CG-CB 4.44Å; M692-L702 WeakPolarHBondContact CA-O 3.47Å; M692-F703 HydrophobicContact CB-CD1 3.94Å; M692-F703 HydrophobicContact CB-CE1 3.79Å; M692-F703 HydrophobicContact CE-CE1 4.45Å; M692-F703 HydrophobicContact CE-CZ 3.99Å; M692-F703 HydrophobicContact CG-CD1 3.98Å; M692-F703 HydrophobicContact CG-CE1 3.51Å; M692-F703 HydrophobicContact CG-CZ 3.91Å; M692-F703 HydrophobicContact SD-CE1 3.82Å; M692-F703 HydrophobicContact SD-CZ 3.95Å; M692-N727 PolarHBondContact O-N 3.06Å; M692-W728 HydrophobicContact CG-CB 4.07Å; M692-W728 PolarHBondContact O-N 3.01Å; M692-W728 HydrophobicContact SD-CB 4.41Å
693	Y	96.8	Very high	91.4	Very high	18 Å²	18	51.9 Å²	51.9	7%	0.071	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162.4	-172.1	69.5	-79.5	0	0	0	113.2	V691 Y695 P701 L702 H704 I713 L715 K725 L726	V691-Y693 HydrophobicContact CG1-CD1 4.35Å; V691-Y693 WeakPolarHBondContact O-CD1 3.44Å; Y693-Y695 HydrophobicContact CD2-CD1 4.49Å; Y693-Y695 HydrophobicContact CE2-CD1 4.31Å; Y693-Y695 HydrophobicContact CE2-CE1 4.41Å; Y693-P701 CarbonylContact O-C 3.59Å; Y693-P701 VanDerWaalsContact O-CA 3.32Å; Y693-P701 WeakPolarHBondContact O-CA 3.37Å; Y693-L702 HydrophobicContact CD1-CB 4.2Å; Y693-L702 WeakPolarHBondContact CD1-O 3.33Å; Y693-L702 HydrophobicContact CD2-CB 4.5Å; Y693-L702 HydrophobicContact CE1-CB 3.66Å; Y693-L702 HydrophobicContact CE2-CB 4Å; Y693-L702 HydrophobicContact CE2-CD1 3.96Å; Y693-L702 PolarHBondContact N-O 3.09Å; Y693-L702 PolarHBondContact O-N 3.28Å; Y693-H704 HydrophobicContact CE1-CB 4.03Å; Y693-I713 HydrophobicContact CE1-CD1 4.16Å; Y693-I713 HydrophobicContact CE2-CG2 4.38Å; Y693-I713 WeakPolarHBondContact OH-CG2 3.22Å; Y693-L715 HydrophobicContact CE2-CD2 4.35Å; Y693-K725 VanDerWaalsContact CA-O 3.31Å; Y693-K725 WeakPolarHBondContact CA-O 3.2Å; Y693-L726 VanDerWaalsContact CB-CD2 3.49Å; Y693-L726 HydrophobicContact CG-CD2 4.21Å
694	S	96.3	Very high	92.9	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.5	167	-165.8	0	0	0	0	110.8	K725 W728	S694-K725 PolarHBondContact N-O 3.21Å; S694-K725 PolarHBondContact O-N 3.26Å; S694-W728 VanDerWaalsContact CB-CE3 3.41Å
695	Y	95.2	Very high	94.1	Very high	19 Å²	19	42 Å²	42	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.5	176	60.1	-89.8	0	0	0	110.2	Y693 N697 A698 L702 L715 S716 F718 W723	Y693-Y695 HydrophobicContact CD2-CD1 4.49Å; Y693-Y695 HydrophobicContact CE2-CD1 4.31Å; Y693-Y695 HydrophobicContact CE2-CE1 4.41Å; Y695-N697 HydrophobicContact CD2-CB 4.48Å; Y695-N697 HydrophobicContact CE2-CB 4.38Å; Y695-N697 PolarHBondContact O-N 3.42Å; Y695-A698 HydrophobicContact CD1-CB 3.95Å; Y695-A698 HydrophobicContact CD2-CB 4.24Å; Y695-A698 HydrophobicContact CE1-CB 3.89Å; Y695-A698 HydrophobicContact CE2-CB 4.2Å; Y695-A698 HydrophobicContact CG-CB 4.13Å; Y695-A698 VanDerWaalsContact O-CB 3.32Å; Y695-A698 WeakPolarHBondContact O-CB 3.37Å; Y695-A698 PolarHBondContact O-N 3.03Å; Y695-L702 HydrophobicContact CE1-CD1 4.01Å; Y695-L715 HydrophobicContact CD1-CD2 4.3Å; Y695-L715 HydrophobicContact CE1-CD2 4.24Å; Y695-S716 WeakPolarHBondContact CE2-O 3.37Å; Y695-S716 PolarHBondContact OH-O 3.32Å; Y695-F718 HydrophobicContact CD2-CB 4.5Å; Y695-F718 AromaticContact CD2-CD2 3.81Å; Y695-F718 HydrophobicContact CD2-CD2 3.81Å; Y695-F718 HydrophobicContact CG-CD2 4.08Å; Y695-W723 VanDerWaalsContact C-CZ3 3.5Å; Y695-W723 VanDerWaalsContact CA-O 3.3Å; Y695-W723 WeakPolarHBondContact CA-O 3.42Å; Y695-W723 WeakPolarHBondContact CB-O 3.48Å
696	K	92.7	Very high	94.7	Very high	107 Å²	107	40 Å²	40	47%	0.465	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-32.5	-167.6	-174.3	177.6	137.7	-157.4	0	116.5	D722 W723	K696-D722 HydrophobicContact CB-CB 4.09Å; K696-D722 HydrophobicContact CD-CB 4.26Å; K696-D722 WeakPolarHBondContact CD-OD1 3.43Å; K696-D722 WeakPolarHBondContact CE-OD1 3.34Å; K696-D722 IonicContact NZ-OD1 2.67Å; K696-D722 PolarHBondContact NZ-OD1 2.94Å; K696-W723 HydrophobicContact CB-CD2 4Å; K696-W723 HydrophobicContact CB-CG 4.15Å; K696-W723 HydrophobicContact CB-CZ2 4.23Å; K696-W723 PolarHBondContact N-O 3.47Å
697	N	91.5	Very high	94.8	Very high	69 Å²	69	42 Å²	42	37%	0.369	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	7.3	-175.8	-47.6	-35.3	0	0	0	113.1	Y695 N717 N719 D722	Y695-N697 HydrophobicContact CD2-CB 4.48Å; Y695-N697 HydrophobicContact CE2-CB 4.38Å; Y695-N697 PolarHBondContact O-N 3.42Å; N697-N717 PolarHBondContact ND2-O 3.16Å; N697-N719 PolarHBondContact ND2-ND2 3Å; N697-D722 PolarHBondContact ND2-OD2 2.9Å
698	A	91.5	Very high	94.9	Very high	26 Å²	26	47.8 Å²	47.8	22%	0.215	24%	0.244	C	C	.	.			trans	-79.3	139.1	173.6	0	0	0	0	0	111	Y695	Y695-A698 HydrophobicContact CD1-CB 3.95Å; Y695-A698 HydrophobicContact CD2-CB 4.24Å; Y695-A698 HydrophobicContact CE1-CB 3.89Å; Y695-A698 HydrophobicContact CE2-CB 4.2Å; Y695-A698 HydrophobicContact CG-CB 4.13Å; Y695-A698 VanDerWaalsContact O-CB 3.32Å; Y695-A698 WeakPolarHBondContact O-CB 3.37Å; Y695-A698 PolarHBondContact O-N 3.03Å
699	K	89.9	Confident	94.8	Very high	223 Å²	223	49.9 Å²	49.9	97%	0.97	25%	0.253	S	S	*	.	S	Bend	trans	-78	-23.4	-179.7	-66.3	-175.3	177.9	-178.4	0	113.9
700	A	92.2	Very high	94.8	Very high	56 Å²	56	55 Å²	55	46%	0.463	28%	0.277	S	S	.	.	S	Bend	trans	-156.3	161.8	-179.2	0	0	0	0	0	108.6
701	P	94	Very high	94.8	Very high	46 Å²	46	56.1 Å²	56.1	30%	0.299	28%	0.283	S	S	.	.			trans	-58.5	144.9	169.8	-22.4	34.7	0	0	0	111.8	M692 Y693 W728	M692-P701 HydrophobicContact CE-CB 3.57Å; M692-P701 HydrophobicContact CE-CG 4.03Å; M692-P701 HydrophobicContact CG-CB 4.44Å; Y693-P701 CarbonylContact O-C 3.59Å; Y693-P701 VanDerWaalsContact O-CA 3.32Å; Y693-P701 WeakPolarHBondContact O-CA 3.37Å; P701-W728 HydrophobicContact CB-CG 4.16Å; P701-W728 HydrophobicContact CG-CD2 4.33Å; P701-W728 HydrophobicContact CG-CG 4.05Å
702	L	95.9	Very high	94.7	Very high	69 Å²	69	60.1 Å²	60.1	36%	0.361	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	160.8	179.3	-61.4	176.2	0	0	0	110	M692 Y693 Y695	M692-L702 WeakPolarHBondContact CA-O 3.47Å; Y693-L702 HydrophobicContact CD1-CB 4.2Å; Y693-L702 WeakPolarHBondContact CD1-O 3.33Å; Y693-L702 HydrophobicContact CD2-CB 4.5Å; Y693-L702 HydrophobicContact CE1-CB 3.66Å; Y693-L702 HydrophobicContact CE2-CB 4Å; Y693-L702 HydrophobicContact CE2-CD1 3.96Å; Y693-L702 PolarHBondContact N-O 3.09Å; Y693-L702 PolarHBondContact O-N 3.28Å; Y695-L702 HydrophobicContact CE1-CD1 4.01Å
703	F	96.1	Very high	94.6	Very high	71 Å²	71	60 Å²	60	31%	0.311	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.9	174.4	-62.5	-89.1	0	0	0	110.4	R598 F599 I690 V691 M692	R598-F703 HydrophobicContact CB-CE1 4.11Å; R598-F703 HydrophobicContact CB-CZ 3.96Å; R598-F703 WeakPolarHBondContact O-CZ 3.42Å; F599-F703 HydrophobicContact CB-CD1 4.34Å; F599-F703 HydrophobicContact CD2-CB 3.7Å; F599-F703 HydrophobicContact CD2-CD1 4.18Å; F599-F703 AromaticContact CD2-CG 3.98Å; F599-F703 HydrophobicContact CD2-CG 3.98Å; F599-F703 HydrophobicContact CE2-CB 4.05Å; I690-F703 HydrophobicContact CG2-CD1 3.86Å; I690-F703 HydrophobicContact CG2-CE1 4.45Å; V691-F703 CarbonylContact O-C 3.59Å; V691-F703 WeakPolarHBondContact O-CA 3.27Å; M692-F703 HydrophobicContact CB-CD1 3.94Å; M692-F703 HydrophobicContact CB-CE1 3.79Å; M692-F703 HydrophobicContact CE-CE1 4.45Å; M692-F703 HydrophobicContact CE-CZ 3.99Å; M692-F703 HydrophobicContact CG-CD1 3.98Å; M692-F703 HydrophobicContact CG-CE1 3.51Å; M692-F703 HydrophobicContact CG-CZ 3.91Å; M692-F703 HydrophobicContact SD-CE1 3.82Å; M692-F703 HydrophobicContact SD-CZ 3.95Å
704	H	96.4	Very high	94.5	Very high	44 Å²	44	63.2 Å²	63.2	20%	0.204	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.2	167	-179.4	76.7	0	0	0	109.2	V691 Y693 D711 I713	V691-H704 HydrophobicContact CB-CB 4.42Å; V691-H704 PolarHBondContact N-O 3.48Å; V691-H704 PolarHBondContact O-N 3.07Å; Y693-H704 HydrophobicContact CE1-CB 4.03Å; H704-D711 IonicContact CD2-OD2 3.11Å; H704-D711 IonicContact CE1-OD2 3.37Å; H704-D711 IonicContact NE2-OD2 2.67Å; H704-D711 PolarHBondContact NE2-OD2 3.36Å; H704-I713 HydrophobicContact CB-CD1 3.53Å; H704-I713 HydrophobicContact CB-CG1 4.28Å
705	L	96.7	Very high	94.4	Very high	35 Å²	35	63 Å²	63	18%	0.183	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	93.4	178.3	178.9	60.6	0	0	0	109.4	F599 Y636 I641 I690 T707	F599-L705 HydrophobicContact CE1-CD2 4.26Å; F599-L705 HydrophobicContact CZ-CB 4.03Å; F599-L705 HydrophobicContact CZ-CD2 4.26Å; Y636-L705 HydrophobicContact CD1-CD2 3.91Å; I641-L705 HydrophobicContact CD1-CD1 3.77Å; I641-L705 HydrophobicContact CD1-CD2 3.95Å; I641-L705 HydrophobicContact CG1-CD1 4.04Å; I690-L705 HydrophobicContact CG1-CD1 4Å; L705-T707 HydrophobicContact CD2-CG2 4.43Å; L705-T707 HydrophobicContact CG-CG2 4.02Å; L705-T707 PolarHBondContact O-N 3.04Å
706	M	96.2	Very high	94.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.3	179.7	-175.2	178.2	-170.2	0	0	109.8	L654 L669 Q671 A688 I689 V691 K708 Q709 D711	L654-M706 HydrophobicContact CD2-SD 3.81Å; L669-M706 HydrophobicContact CB-CE 3.74Å; L669-M706 HydrophobicContact CB-SD 3.86Å; L669-M706 HydrophobicContact CD1-SD 4.18Å; L669-M706 WeakPolarHBondContact O-CE 3.19Å; Q671-M706 HydrophobicContact CB-CE 4.29Å; Q671-M706 HydrophobicContact CG-CE 4.1Å; A688-M706 CarbonylContact C-O 3.33Å; A688-M706 WeakPolarHBondContact CA-O 3.24Å; I689-M706 HydrophobicContact CB-CB 4.39Å; I689-M706 PolarHBondContact N-O 2.96Å; I689-M706 PolarHBondContact O-N 2.72Å; V691-M706 HydrophobicContact CG2-CB 4.2Å; M706-K708 WeakPolarHBondContact CE-O 3.38Å; M706-Q709 WeakPolarHBondContact CE-O 3.3Å; M706-D711 HydrophobicContact CE-CB 4.06Å; M706-D711 HydrophobicContact CG-CB 3.97Å
707	T	94	Very high	94	Very high	73 Å²	73	67 Å²	67	45%	0.448	35%	0.354	S	S	.	.			trans	-104.9	-0.3	179.6	55.1	0	0	0	0	114.1	C686 A688 L705	C686-T707 PolarHBondContact SG-O 2.84Å; C686-T707 VanDerWaalsContact SG-O 3.42Å; A688-T707 HydrophobicContact CB-CG2 4.49Å; L705-T707 HydrophobicContact CD2-CG2 4.43Å; L705-T707 HydrophobicContact CG-CG2 4.02Å; L705-T707 PolarHBondContact O-N 3.04Å
708	K	94	Very high	94.1	Very high	122 Å²	122	64.2 Å²	64.2	53%	0.53	34%	0.339	S	S	.	.	S	Bend	trans	-117.7	163.5	-176.4	-62	171.6	-171.5	162.7	0	111.1	Q671 M706 E710	Q671-K708 PolarHBondContact NE2-O 2.92Å; M706-K708 WeakPolarHBondContact CE-O 3.38Å; K708-E710 VanDerWaalsContact C-N 3.25Å; K708-E710 VanDerWaalsContact CB-O 3.23Å; K708-E710 WeakPolarHBondContact CB-O 3.09Å; K708-E710 PolarHBondContact O-N 2.92Å
709	Q	94.2	Very high	94.1	Very high	48 Å²	48	67.4 Å²	67.4	22%	0.224	35%	0.352	C	S	.	.	S	Bend	trans	-64.8	-33.2	174.8	-154.4	73.4	36.3	0	0	111.8	K670 Q671 F685 C686 M706	K670-Q709 WeakPolarHBondContact CA-O 3.24Å; Q671-Q709 WeakPolarHBondContact CG-O 3.23Å; Q671-Q709 PolarHBondContact N-O 3.19Å; Q671-Q709 PolarHBondContact O-NE2 2.78Å; F685-Q709 PolarHBondContact O-NE2 3.45Å; F685-Q709 VanDerWaalsContact O-NE2 3.08Å; C686-Q709 VanDerWaalsContact CB-OE1 3.26Å; C686-Q709 PolarHBondContact SG-N 3.2Å; C686-Q709 VanDerWaalsContact SG-N 3.44Å; M706-Q709 WeakPolarHBondContact CE-O 3.3Å
710	E	96.2	Very high	94.2	Very high	107 Å²	107	65.5 Å²	65.5	50%	0.5	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.5	175.7	-66.7	-179.1	-162.4	0	0	109.8	L669 K670 K708	L669-E710 CarbonylContact O-C 3.54Å; L669-E710 VanDerWaalsContact O-CA 3.27Å; L669-E710 WeakPolarHBondContact O-CA 3.43Å; K670-E710 HydrophobicContact CB-CG 3.96Å; K670-E710 HydrophobicContact CD-CG 3.98Å; K670-E710 VanDerWaalsContact CD-OE1 3.31Å; K670-E710 WeakPolarHBondContact CD-OE1 3.22Å; K670-E710 VanDerWaalsContact CE-OE1 3.27Å; K670-E710 WeakPolarHBondContact CE-OE1 3.44Å; K670-E710 HydrophobicContact CG-CG 3.79Å; K670-E710 IonicContact NZ-OE1 2.95Å; K670-E710 PolarHBondContact NZ-OE1 3.43Å; K708-E710 VanDerWaalsContact C-N 3.25Å; K708-E710 VanDerWaalsContact CB-O 3.23Å; K708-E710 WeakPolarHBondContact CB-O 3.09Å; K708-E710 PolarHBondContact O-N 2.92Å
711	D	96.5	Very high	94.2	Very high	29 Å²	29	65.1 Å²	65.1	16%	0.155	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	160.1	-175.5	-146.4	-2.2	0	0	0	112	L669 H704 M706	L669-D711 PolarHBondContact N-O 3.21Å; L669-D711 PolarHBondContact O-N 3.45Å; H704-D711 IonicContact CD2-OD2 3.11Å; H704-D711 IonicContact CE1-OD2 3.37Å; H704-D711 IonicContact NE2-OD2 2.67Å; H704-D711 PolarHBondContact NE2-OD2 3.36Å; M706-D711 HydrophobicContact CE-CB 4.06Å; M706-D711 HydrophobicContact CG-CB 3.97Å
712	E	95.8	Very high	94.2	Very high	83 Å²	83	63.2 Å²	63.2	39%	0.388	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.3	-175.9	-76.9	-165.6	163.8	0	0	112.7	K662 V666 L667 R668	K662-E712 IonicContact NZ-OE1 3.29Å; K662-E712 PolarHBondContact NZ-OE1 3.18Å; K662-E712 IonicContact NZ-OE2 2.85Å; K662-E712 PolarHBondContact NZ-OE2 3.45Å; V666-E712 HydrophobicContact CG1-CB 3.71Å; V666-E712 HydrophobicContact CG1-CG 3.77Å; L667-E712 WeakPolarHBondContact O-CA 3.19Å; R668-E712 HydrophobicContact CG-CG 4.17Å
713	I	95.8	Very high	94.2	Very high	9 Å²	9	61.6 Å²	61.6	5%	0.046	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.2	174.3	-56.2	176.5	0	0	0	109.3	V666 L667 L669 Y693 H704 L715	V666-I713 WeakPolarHBondContact CA-O 3.17Å; L667-I713 HydrophobicContact CB-CB 4.27Å; L667-I713 HydrophobicContact CD2-CB 4.48Å; L667-I713 HydrophobicContact CD2-CD1 4.2Å; L667-I713 PolarHBondContact N-O 3.23Å; L667-I713 PolarHBondContact O-N 2.9Å; L669-I713 HydrophobicContact CD1-CD1 3.74Å; L669-I713 HydrophobicContact CD1-CG1 4.45Å; Y693-I713 HydrophobicContact CE1-CD1 4.16Å; Y693-I713 HydrophobicContact CE2-CG2 4.38Å; Y693-I713 WeakPolarHBondContact OH-CG2 3.22Å; H704-I713 HydrophobicContact CB-CD1 3.53Å; H704-I713 HydrophobicContact CB-CG1 4.28Å; I713-L715 HydrophobicContact CG2-CD2 4.15Å; I713-L715 PolarHBondContact O-N 3.49Å
714	V	94.3	Very high	94.2	Very high	86 Å²	86	58.2 Å²	58.2	52%	0.521	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.3	176.3	-175.6	0	0	0	0	110	V666	V666-V714 HydrophobicContact CG2-CG2 4.18Å
715	L	93.8	Very high	94.2	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	29%	0.293	C	S	.	.			trans	-95.2	105.6	-176.7	-57.6	179.8	0	0	0	111.3	I658 A665 L667 Y693 Y695 I713 N717 F718 L724	I658-L715 HydrophobicContact CD1-CD1 3.71Å; A665-L715 HydrophobicContact CB-CB 4.42Å; A665-L715 PolarHBondContact O-N 3.03Å; L667-L715 HydrophobicContact CB-CD1 4.08Å; L667-L715 HydrophobicContact CB-CD2 4.28Å; L667-L715 HydrophobicContact CB-CG 4.16Å; Y693-L715 HydrophobicContact CE2-CD2 4.35Å; Y695-L715 HydrophobicContact CD1-CD2 4.3Å; Y695-L715 HydrophobicContact CE1-CD2 4.24Å; I713-L715 HydrophobicContact CG2-CD2 4.15Å; I713-L715 PolarHBondContact O-N 3.49Å; L715-N717 PolarHBondContact O-N 3.04Å; L715-F718 HydrophobicContact CB-CB 3.57Å; L715-F718 HydrophobicContact CB-CG 4.12Å; L715-F718 HydrophobicContact CD1-CB 4.1Å; L715-F718 HydrophobicContact CD1-CD1 3.81Å; L715-F718 HydrophobicContact CD1-CD2 3.97Å; L715-F718 HydrophobicContact CD1-CE1 4.23Å; L715-F718 HydrophobicContact CD1-CE2 4.37Å; L715-F718 HydrophobicContact CD1-CG 3.68Å; L715-F718 HydrophobicContact CD1-CZ 4.49Å; L715-L724 HydrophobicContact CD1-CD1 3.48Å; L715-L724 VanDerWaalsContact CD1-CD1 3.48Å; L715-L724 HydrophobicContact CD2-CD1 3.84Å; L715-L724 HydrophobicContact CG-CD1 4.33Å
716	S	88.9	Confident	94.3	Very high	74 Å²	74	54.5 Å²	54.5	52%	0.517	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	128.4	175.3	-65.9	0	0	0	0	111.1	Y695 F718	Y695-S716 WeakPolarHBondContact CE2-O 3.37Å; Y695-S716 PolarHBondContact OH-O 3.32Å; S716-F718 PolarHBondContact O-N 2.94Å
717	N	89.3	Confident	94.2	Very high	135 Å²	135	54.5 Å²	54.5	72%	0.722	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	39.8	178.8	-55.3	-21.1	0	0	0	114.5	N697 L715	N697-N717 PolarHBondContact ND2-O 3.16Å; L715-N717 PolarHBondContact O-N 3.04Å
718	F	93.8	Very high	94.2	Very high	11 Å²	11	53 Å²	53	5%	0.048	27%	0.27	C	S	.	.			trans	-103.7	126.9	176.1	-176.1	-91	0	0	0	111.6	I658 W660 A665 Y695 L715 S716 D722 L724 L742	I658-F718 HydrophobicContact CD1-CE1 4.09Å; I658-F718 HydrophobicContact CD1-CZ 4.43Å; I658-F718 HydrophobicContact CG1-CE1 4Å; I658-F718 HydrophobicContact CG1-CZ 4.46Å; I658-F718 HydrophobicContact CG2-CE1 4.46Å; W660-F718 AromaticContact CH2-CD1 3.98Å; W660-F718 HydrophobicContact CH2-CD1 3.98Å; W660-F718 HydrophobicContact CH2-CE1 4.2Å; W660-F718 HydrophobicContact CZ2-CD1 4.44Å; W660-F718 HydrophobicContact CZ2-CE1 4.22Å; A665-F718 HydrophobicContact CB-CB 4.32Å; A665-F718 HydrophobicContact CB-CD1 3.81Å; Y695-F718 HydrophobicContact CD2-CB 4.5Å; Y695-F718 AromaticContact CD2-CD2 3.81Å; Y695-F718 HydrophobicContact CD2-CD2 3.81Å; Y695-F718 HydrophobicContact CG-CD2 4.08Å; L715-F718 HydrophobicContact CB-CB 3.57Å; L715-F718 HydrophobicContact CB-CG 4.12Å; L715-F718 HydrophobicContact CD1-CB 4.1Å; L715-F718 HydrophobicContact CD1-CD1 3.81Å; L715-F718 HydrophobicContact CD1-CD2 3.97Å; L715-F718 HydrophobicContact CD1-CE1 4.23Å; L715-F718 HydrophobicContact CD1-CE2 4.37Å; L715-F718 HydrophobicContact CD1-CG 3.68Å; L715-F718 HydrophobicContact CD1-CZ 4.49Å; S716-F718 PolarHBondContact O-N 2.94Å; F718-D722 HydrophobicContact CD2-CB 4Å; F718-D722 HydrophobicContact CE2-CB 3.68Å; F718-D722 HydrophobicContact CZ-CB 4.07Å; F718-D722 VanDerWaalsContact CZ-O 3.3Å; F718-D722 WeakPolarHBondContact CZ-O 3.35Å; F718-L724 HydrophobicContact CE2-CB 3.95Å; F718-L724 HydrophobicContact CE2-CD1 4.42Å; F718-L724 HydrophobicContact CZ-CB 4.27Å; F718-L742 HydrophobicContact CZ-CD2 4.03Å
719	N	93	Very high	94	Very high	93 Å²	93	48.9 Å²	48.9	50%	0.497	25%	0.254	S	S	.	.			trans	-113.4	161.7	-174.1	-47.5	-86.5	0	0	0	112	N697 G721 D722	N697-N719 PolarHBondContact ND2-ND2 3Å; N719-G721 PolarHBondContact O-N 2.6Å; N719-D722 WeakPolarHBondContact CB-OD2 3.41Å; N719-D722 PolarHBondContact N-OD2 3.45Å; N719-D722 PolarHBondContact ND2-OD2 3.25Å; N719-D722 VanDerWaalsContact O-CB 3.27Å; N719-D722 WeakPolarHBondContact O-CB 3.4Å; N719-D722 PolarHBondContact O-N 3.25Å
720	R	91.1	Very high	93.8	Very high	182 Å²	182	46.8 Å²	46.8	69%	0.687	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	129.3	176.9	-77.9	-177.7	174.4	-179.5	0.3	111.6	W660 D722	W660-R720 HydrophobicContact CD2-CG 4.17Å; W660-R720 HydrophobicContact CE3-CG 4.35Å; W660-R720 HydrophobicContact CH2-CB 4.39Å; W660-R720 HydrophobicContact CH2-CG 3.61Å; W660-R720 HydrophobicContact CZ2-CB 4.22Å; W660-R720 HydrophobicContact CZ2-CG 3.33Å; W660-R720 HydrophobicContact CZ3-CG 4.09Å; R720-D722 VanDerWaalsContact C-N 3.28Å; R720-D722 PolarHBondContact O-N 3.19Å
721	G	91.3	Very high	93.5	Very high	49 Å²	49	42.4 Å²	42.4	51%	0.505	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	5	-175.4	0	0	0	0	0	115.7	N719 E741	N719-G721 PolarHBondContact O-N 2.6Å; G721-E741 PolarHBondContact N-OE1 3.44Å
722	D	95.2	Very high	93.2	Very high	6 Å²	6	41 Å²	41	3%	0.032	22%	0.216	C	C	.	.			trans	-68.7	144.6	162	-71	-20.6	0	0	0	109.7	K696 N697 F718 N719 R720	K696-D722 HydrophobicContact CB-CB 4.09Å; K696-D722 HydrophobicContact CD-CB 4.26Å; K696-D722 WeakPolarHBondContact CD-OD1 3.43Å; K696-D722 WeakPolarHBondContact CE-OD1 3.34Å; K696-D722 IonicContact NZ-OD1 2.67Å; K696-D722 PolarHBondContact NZ-OD1 2.94Å; N697-D722 PolarHBondContact ND2-OD2 2.9Å; F718-D722 HydrophobicContact CD2-CB 4Å; F718-D722 HydrophobicContact CE2-CB 3.68Å; F718-D722 HydrophobicContact CZ-CB 4.07Å; F718-D722 VanDerWaalsContact CZ-O 3.3Å; F718-D722 WeakPolarHBondContact CZ-O 3.35Å; N719-D722 WeakPolarHBondContact CB-OD2 3.41Å; N719-D722 PolarHBondContact N-OD2 3.45Å; N719-D722 PolarHBondContact ND2-OD2 3.25Å; N719-D722 VanDerWaalsContact O-CB 3.27Å; N719-D722 WeakPolarHBondContact O-CB 3.4Å; N719-D722 PolarHBondContact O-N 3.25Å; R720-D722 VanDerWaalsContact C-N 3.28Å; R720-D722 PolarHBondContact O-N 3.19Å
723	W	95.6	Very high	93.1	Very high	35 Å²	35	37.1 Å²	37.1	13%	0.133	20%	0.198	C	C	.	.			trans	-81.5	148	175.8	59.3	-105.1	0	0	0	111.3	Y695 K696 K725 W728 A745 F753	Y695-W723 VanDerWaalsContact C-CZ3 3.5Å; Y695-W723 VanDerWaalsContact CA-O 3.3Å; Y695-W723 WeakPolarHBondContact CA-O 3.42Å; Y695-W723 WeakPolarHBondContact CB-O 3.48Å; K696-W723 HydrophobicContact CB-CD2 4Å; K696-W723 HydrophobicContact CB-CG 4.15Å; K696-W723 HydrophobicContact CB-CZ2 4.23Å; K696-W723 PolarHBondContact N-O 3.47Å; W723-K725 HydrophobicContact CE3-CB 4.47Å; W723-W728 HydrophobicContact CH2-CH2 4.21Å; W723-W728 HydrophobicContact CH2-CZ3 4.13Å; W723-W728 HydrophobicContact CZ3-CH2 4.45Å; W723-W728 AromaticContact CZ3-CZ3 3.91Å; W723-W728 HydrophobicContact CZ3-CZ3 3.91Å; W723-A745 HydrophobicContact CB-CB 4.4Å; W723-F753 HydrophobicContact CB-CZ 4.21Å; W723-F753 AromaticContact CD2-CE1 3.92Å; W723-F753 HydrophobicContact CD2-CE1 3.92Å; W723-F753 AromaticContact CD2-CZ 3.55Å; W723-F753 HydrophobicContact CD2-CZ 3.55Å; W723-F753 AromaticContact CE3-CE1 3.58Å; W723-F753 HydrophobicContact CE3-CE1 3.58Å; W723-F753 AromaticContact CE3-CZ 3.55Å; W723-F753 HydrophobicContact CE3-CZ 3.55Å; W723-F753 AromaticContact CG-CZ 3.86Å; W723-F753 HydrophobicContact CG-CZ 3.86Å; W723-F753 HydrophobicContact CH2-CE1 4.09Å; W723-F753 HydrophobicContact CZ2-CE1 4.35Å; W723-F753 AromaticContact CZ3-CE1 3.69Å; W723-F753 HydrophobicContact CZ3-CE1 3.69Å; W723-F753 HydrophobicContact CZ3-CZ 4.15Å
724	L	97	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.8	170.6	-177	147.4	0	0	0	108.9	L667 L715 F718 L726 L742 L746	L667-L724 HydrophobicContact CD1-CD2 4.41Å; L667-L724 HydrophobicContact CD2-CD1 3.96Å; L667-L724 HydrophobicContact CD2-CD2 3.96Å; L715-L724 HydrophobicContact CD1-CD1 3.48Å; L715-L724 VanDerWaalsContact CD1-CD1 3.48Å; L715-L724 HydrophobicContact CD2-CD1 3.84Å; L715-L724 HydrophobicContact CG-CD1 4.33Å; F718-L724 HydrophobicContact CE2-CB 3.95Å; F718-L724 HydrophobicContact CE2-CD1 4.42Å; F718-L724 HydrophobicContact CZ-CB 4.27Å; L724-L726 HydrophobicContact CD2-CD2 3.66Å; L724-L726 HydrophobicContact CD2-CG 4.06Å; L724-L742 HydrophobicContact CB-CD2 3.92Å; L724-L742 HydrophobicContact CD2-CD1 4.45Å; L724-L746 WeakPolarHBondContact O-CD1 3.49Å; L724-L746 WeakPolarHBondContact O-CD2 3.22Å
725	K	96.4	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.6	-175.3	176.8	59.9	174.2	56.2	0	109.2	Y693 S694 W723 N727 W728 L746 F753 N757 S760 I761	Y693-K725 VanDerWaalsContact CA-O 3.31Å; Y693-K725 WeakPolarHBondContact CA-O 3.2Å; S694-K725 PolarHBondContact N-O 3.21Å; S694-K725 PolarHBondContact O-N 3.26Å; W723-K725 HydrophobicContact CE3-CB 4.47Å; K725-N727 PolarHBondContact NZ-O 3.16Å; K725-W728 HydrophobicContact CB-CE3 3.99Å; K725-W728 HydrophobicContact CB-CZ3 4.05Å; K725-W728 HydrophobicContact CG-CE3 3.82Å; K725-W728 HydrophobicContact CG-CZ3 4.11Å; K725-L746 HydrophobicContact CB-CD2 4.12Å; K725-L746 HydrophobicContact CD-CD2 4.24Å; K725-F753 HydrophobicContact CB-CE1 3.83Å; K725-F753 HydrophobicContact CB-CZ 4.29Å; K725-F753 HydrophobicContact CG-CE1 4.15Å; K725-N757 WeakPolarHBondContact CE-O 3.31Å; K725-N757 PolarHBondContact NZ-OD1 2.73Å; K725-S760 VanDerWaalsContact CE-OG 3.23Å; K725-S760 WeakPolarHBondContact CE-OG 3.22Å; K725-S760 PolarHBondContact NZ-OG 3.2Å; K725-I761 HydrophobicContact CD-CD1 4.25Å; K725-I761 HydrophobicContact CD-CG1 4.03Å
726	L	97.2	Very high	92.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	170.8	166.1	-55.6	-170.7	0	0	0	109.8	L654 A656 L667 L669 V691 Y693 L724 W728 V736 Y738	L654-L726 HydrophobicContact CD1-CD1 4.32Å; A656-L726 HydrophobicContact CB-CD1 3.77Å; L667-L726 HydrophobicContact CD2-CD2 4.09Å; L669-L726 HydrophobicContact CD2-CD1 3.62Å; V691-L726 HydrophobicContact CG1-CD1 4.45Å; V691-L726 HydrophobicContact CG1-CD2 3.91Å; Y693-L726 VanDerWaalsContact CB-CD2 3.49Å; Y693-L726 HydrophobicContact CG-CD2 4.21Å; L724-L726 HydrophobicContact CD2-CD2 3.66Å; L724-L726 HydrophobicContact CD2-CG 4.06Å; L726-W728 VanDerWaalsContact C-N 3.35Å; L726-W728 PolarHBondContact O-N 3.08Å; L726-V736 HydrophobicContact CB-CG1 4.12Å; L726-V736 HydrophobicContact CB-CG2 3.96Å; L726-V736 HydrophobicContact CD1-CG1 3.84Å; L726-V736 HydrophobicContact CG-CG1 4.25Å; L726-Y738 HydrophobicContact CB-CE1 4.45Å; L726-Y738 HydrophobicContact CG-CE1 4.26Å; L726-Y738 PolarHBondContact N-OH 3.26Å; L726-Y738 PolarHBondContact O-OH 3.46Å
727	N	95	Very high	93.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	50.3	54.5	-174.7	-159.4	-12.7	0	0	0	111.5	M692 K725 D729 F730 K731 G732 Y734 V736	M692-N727 PolarHBondContact O-N 3.06Å; K725-N727 PolarHBondContact NZ-O 3.16Å; N727-D729 PolarHBondContact O-N 2.91Å; N727-F730 PolarHBondContact O-N 3.4Å; N727-F730 WeakPolarHBondContact OD1-CA 3.35Å; N727-K731 PolarHBondContact OD1-N 2.72Å; N727-K731 VanDerWaalsContact OD1-N 3.16Å; N727-G732 PolarHBondContact ND2-O 2.95Å; N727-G732 WeakPolarHBondContact OD1-CA 3.39Å; N727-G732 PolarHBondContact OD1-N 3.09Å; N727-Y734 HydrophobicContact CB-CD2 4.33Å; N727-Y734 HydrophobicContact CB-CE2 3.6Å; N727-Y734 PolarHBondContact ND2-O 2.76Å; N727-Y734 VanDerWaalsContact ND2-O 3.11Å; N727-V736 HydrophobicContact CB-CG2 4.34Å
728	W	94.3	Very high	93.4	Very high	43 Å²	43	28.1 Å²	28.1	16%	0.163	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-61.3	136.3	-176.8	-170.1	-88.7	0	0	0	111.3	M692 S694 P701 W723 K725 L726 F730 F753 N757	M692-W728 HydrophobicContact CG-CB 4.07Å; M692-W728 PolarHBondContact O-N 3.01Å; M692-W728 HydrophobicContact SD-CB 4.41Å; S694-W728 VanDerWaalsContact CB-CE3 3.41Å; P701-W728 HydrophobicContact CB-CG 4.16Å; P701-W728 HydrophobicContact CG-CD2 4.33Å; P701-W728 HydrophobicContact CG-CG 4.05Å; W723-W728 HydrophobicContact CH2-CH2 4.21Å; W723-W728 HydrophobicContact CH2-CZ3 4.13Å; W723-W728 HydrophobicContact CZ3-CH2 4.45Å; W723-W728 AromaticContact CZ3-CZ3 3.91Å; W723-W728 HydrophobicContact CZ3-CZ3 3.91Å; K725-W728 HydrophobicContact CB-CE3 3.99Å; K725-W728 HydrophobicContact CB-CZ3 4.05Å; K725-W728 HydrophobicContact CG-CE3 3.82Å; K725-W728 HydrophobicContact CG-CZ3 4.11Å; L726-W728 VanDerWaalsContact C-N 3.35Å; L726-W728 PolarHBondContact O-N 3.08Å; W728-F730 PolarHBondContact O-N 3.4Å; W728-F730 VanDerWaalsContact O-N 3.13Å; W728-F753 HydrophobicContact CH2-CD1 4.35Å; W728-F753 HydrophobicContact CZ3-CD1 4.16Å; W728-F753 HydrophobicContact CZ3-CE1 4.04Å; W728-N757 WeakPolarHBondContact CA-OD1 3.49Å
729	D	89.9	Confident	93.4	Very high	34 Å²	34	27.9 Å²	27.9	18%	0.182	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	55.4	18.8	-170.9	-50.5	-34.7	0	0	0	115	R598 N727 K731 N757	R598-D729 IonicContact NH1-OD2 2.62Å; R598-D729 PolarHBondContact NH1-OD2 3.08Å; N727-D729 PolarHBondContact O-N 2.91Å; D729-K731 VanDerWaalsContact C-N 3.26Å; D729-K731 HydrophobicContact CB-CD 4.42Å; D729-K731 HydrophobicContact CB-CG 4.09Å; D729-K731 VanDerWaalsContact O-CD 3.3Å; D729-K731 WeakPolarHBondContact O-CD 3.2Å; D729-K731 VanDerWaalsContact O-CE 3.24Å; D729-K731 WeakPolarHBondContact O-CE 3.46Å; D729-K731 PolarHBondContact O-N 3.36Å; D729-N757 PolarHBondContact N-ND2 3.26Å; D729-N757 PolarHBondContact N-OD1 2.81Å; D729-N757 PolarHBondContact OD1-ND2 2.71Å
730	F	90.5	Very high	93.4	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.018	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	54.8	35.4	178.6	-162.5	-174.1	0	0	0	113.8	A550 T554 L558 N727 W728 T756 M759 A763	A550-F730 HydrophobicContact CB-CD1 3.9Å; A550-F730 HydrophobicContact CB-CE1 4.5Å; T554-F730 HydrophobicContact CG2-CD2 3.91Å; T554-F730 HydrophobicContact CG2-CE2 3.55Å; T554-F730 HydrophobicContact CG2-CZ 3.95Å; L558-F730 HydrophobicContact CD1-CE2 4.07Å; L558-F730 HydrophobicContact CD1-CZ 4.45Å; N727-F730 PolarHBondContact O-N 3.4Å; N727-F730 WeakPolarHBondContact OD1-CA 3.35Å; W728-F730 PolarHBondContact O-N 3.4Å; W728-F730 VanDerWaalsContact O-N 3.13Å; F730-T756 WeakPolarHBondContact CB-O 3.49Å; F730-M759 HydrophobicContact CD1-CB 4.14Å; F730-M759 HydrophobicContact CE1-CB 4.46Å; F730-A763 HydrophobicContact CE1-CB 4.3Å; F730-A763 HydrophobicContact CZ-CB 4.11Å
731	K	89.1	Confident	93.6	Very high	15 Å²	15	23 Å²	23	7%	0.065	12%	0.12	C	C	.	.			trans	-85.8	-18	-176.8	-56.6	-49.1	-179.9	-168.4	0	114.9	E546 H591 V594 L595 N727 D729	E546-K731 WeakPolarHBondContact OE2-CE 3.48Å; E546-K731 IonicContact OE2-NZ 2.78Å; E546-K731 PolarHBondContact OE2-NZ 2.85Å; H591-K731 WeakPolarHBondContact CB-O 3.41Å; H591-K731 PolarHBondContact ND1-O 3.36Å; V594-K731 HydrophobicContact CG1-CB 3.97Å; V594-K731 HydrophobicContact CG1-CD 4.42Å; V594-K731 HydrophobicContact CG1-CG 4.29Å; L595-K731 HydrophobicContact CD2-CB 4.2Å; N727-K731 PolarHBondContact OD1-N 2.72Å; N727-K731 VanDerWaalsContact OD1-N 3.16Å; D729-K731 VanDerWaalsContact C-N 3.26Å; D729-K731 HydrophobicContact CB-CD 4.42Å; D729-K731 HydrophobicContact CB-CG 4.09Å; D729-K731 VanDerWaalsContact O-CD 3.3Å; D729-K731 WeakPolarHBondContact O-CD 3.2Å; D729-K731 VanDerWaalsContact O-CE 3.24Å; D729-K731 WeakPolarHBondContact O-CE 3.46Å; D729-K731 PolarHBondContact O-N 3.36Å
732	G	91	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-90.6	141.2	-177.1	0	0	0	0	0	114.2	L595 N727 Y734	L595-G732 VanDerWaalsContact CD1-CA 3.42Å; N727-G732 PolarHBondContact ND2-O 2.95Å; N727-G732 WeakPolarHBondContact OD1-CA 3.39Å; N727-G732 PolarHBondContact OD1-N 3.09Å; G732-Y734 PolarHBondContact O-N 2.93Å
733	F	91.8	Very high	93.6	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	11%	0.107	C	C	.	.	S	Bend	trans	-83.2	61.8	176.2	-156.3	-101.2	0	0	0	111.4	G557 L558 D561 A587 K588 H591 W645 F651	G557-F733 VanDerWaalsContact C-CZ 3.44Å; L558-F733 HydrophobicContact CD2-CD1 3.78Å; L558-F733 HydrophobicContact CD2-CD2 3.9Å; L558-F733 HydrophobicContact CD2-CE1 3.86Å; L558-F733 HydrophobicContact CD2-CE2 3.97Å; L558-F733 HydrophobicContact CD2-CG 3.81Å; L558-F733 HydrophobicContact CD2-CZ 3.96Å; L558-F733 HydrophobicContact CG-CD2 4.03Å; L558-F733 HydrophobicContact CG-CE2 3.9Å; L558-F733 HydrophobicContact CG-CG 4.45Å; L558-F733 HydrophobicContact CG-CZ 4.22Å; D561-F733 HydrophobicContact CB-CE1 4.11Å; D561-F733 HydrophobicContact CB-CZ 4.26Å; A587-F733 HydrophobicContact CB-CD2 4.43Å; A587-F733 HydrophobicContact CB-CE2 3.72Å; A587-F733 HydrophobicContact CB-CZ 4.48Å; K588-F733 HydrophobicContact CB-CD1 3.78Å; K588-F733 HydrophobicContact CB-CD2 4.49Å; K588-F733 HydrophobicContact CB-CE1 3.62Å; K588-F733 HydrophobicContact CB-CE2 4.36Å; K588-F733 HydrophobicContact CB-CG 4.21Å; K588-F733 HydrophobicContact CB-CZ 3.92Å; K588-F733 HydrophobicContact CD-CD1 4.45Å; K588-F733 HydrophobicContact CD-CE1 4.29Å; K588-F733 HydrophobicContact CG-CD1 3.69Å; K588-F733 HydrophobicContact CG-CE1 3.86Å; K588-F733 HydrophobicContact CG-CG 4.35Å; H591-F733 HydrophobicContact CB-CB 3.81Å; H591-F733 HydrophobicContact CB-CD2 4.27Å; H591-F733 HydrophobicContact CB-CG 4.48Å; W645-F733 WeakPolarHBondContact CH2-O 3.24Å; W645-F733 HydrophobicContact CZ3-CB 4.1Å; W645-F733 HydrophobicContact CZ3-CD1 4.38Å; W645-F733 WeakPolarHBondContact CZ3-O 3.42Å; F651-F733 HydrophobicContact CB-CD1 3.8Å; F651-F733 HydrophobicContact CB-CE1 4.08Å; F651-F733 WeakPolarHBondContact CB-O 3.48Å; F651-F733 HydrophobicContact CD1-CD1 4.39Å; F651-F733 AromaticContact CD1-CE1 3.9Å; F651-F733 HydrophobicContact CD1-CE1 3.9Å; F651-F733 HydrophobicContact CG-CD1 4.26Å; F651-F733 HydrophobicContact CG-CE1 4.23Å
734	Y	93.1	Very high	93.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	13%	0.133	C	C	.	.			trans	-155.2	157.8	177.7	57	-97.3	0	0	0	112.2	L595 W645 P652 L654 I689 N727 G732 V736	L595-Y734 HydrophobicContact CD1-CE1 4.07Å; W645-Y734 HydrophobicContact CH2-CD1 4.41Å; P652-Y734 VanDerWaalsContact O-CB 3.31Å; P652-Y734 WeakPolarHBondContact O-CB 3.43Å; L654-Y734 HydrophobicContact CD1-CD2 3.74Å; L654-Y734 HydrophobicContact CD1-CE2 3.59Å; L654-Y734 HydrophobicContact CD1-CG 4.49Å; L654-Y734 HydrophobicContact CG-CD2 4.19Å; I689-Y734 HydrophobicContact CG2-CD1 4.01Å; I689-Y734 HydrophobicContact CG2-CE1 3.88Å; N727-Y734 HydrophobicContact CB-CD2 4.33Å; N727-Y734 HydrophobicContact CB-CE2 3.6Å; N727-Y734 PolarHBondContact ND2-O 2.76Å; N727-Y734 VanDerWaalsContact ND2-O 3.11Å; G732-Y734 PolarHBondContact O-N 2.93Å; Y734-V736 HydrophobicContact CD2-CG2 4.02Å; Y734-V736 HydrophobicContact CE2-CG2 4.02Å
735	R	92.8	Very high	93.4	Very high	20 Å²	20	30.9 Å²	30.9	8%	0.075	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	158.7	175.1	-70.6	-69	-175.6	-142.6	1.9	111.2	N555 F651 P652 L653 L654 F674 A763 D764	N555-R735 PolarHBondContact OD1-NH2 3.37Å; F651-R735 HydrophobicContact CE2-CB 4.4Å; F651-R735 HydrophobicContact CE2-CG 3.73Å; P652-R735 PolarHBondContact O-N 3.08Å; L653-R735 HydrophobicContact CD1-CB 3.71Å; L654-R735 PolarHBondContact N-O 3.01Å; F674-R735 HydrophobicContact CD2-CB 4.14Å; F674-R735 HydrophobicContact CD2-CG 4.1Å; F674-R735 HydrophobicContact CE2-CB 4.46Å; F674-R735 HydrophobicContact CE2-CG 4.17Å; R735-A763 PolarHBondContact NE-O 2.88Å; R735-A763 PolarHBondContact NH1-O 2.99Å; R735-D764 WeakPolarHBondContact CA-OD1 3.48Å; R735-D764 VanDerWaalsContact CD-OD1 3.26Å; R735-D764 WeakPolarHBondContact CD-OD1 3.22Å
736	V	95	Very high	93.2	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.1	-178.7	-168.5	0	0	0	0	112.6	L654 A656 L726 N727 Y734 Y738 D764	L654-V736 CarbonylContact O-C 3.08Å; L654-V736 WeakPolarHBondContact O-CA 3.45Å; L654-V736 WeakPolarHBondContact O-CG1 3.25Å; A656-V736 HydrophobicContact CB-CG1 4.19Å; L726-V736 HydrophobicContact CB-CG1 4.12Å; L726-V736 HydrophobicContact CB-CG2 3.96Å; L726-V736 HydrophobicContact CD1-CG1 3.84Å; L726-V736 HydrophobicContact CG-CG1 4.25Å; N727-V736 HydrophobicContact CB-CG2 4.34Å; Y734-V736 HydrophobicContact CD2-CG2 4.02Å; Y734-V736 HydrophobicContact CE2-CG2 4.02Å; V736-Y738 HydrophobicContact CB-CD2 4.28Å; V736-Y738 HydrophobicContact CB-CE2 3.61Å; V736-Y738 HydrophobicContact CG1-CD1 4.01Å; V736-Y738 HydrophobicContact CG1-CD2 3.94Å; V736-Y738 HydrophobicContact CG1-CE1 3.59Å; V736-Y738 HydrophobicContact CG1-CE2 3.51Å; V736-Y738 HydrophobicContact CG1-CG 4.17Å; V736-D764 PolarHBondContact N-OD1 2.57Å
737	F	93.5	Very high	92.9	Very high	84 Å²	84	34.1 Å²	34.1	37%	0.368	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	99.3	169.7	-175.3	-87.8	0	0	0	109.9	L653 L654 C655 A656	L653-F737 HydrophobicContact CD1-CB 4.05Å; L653-F737 HydrophobicContact CD2-CB 4.46Å; L653-F737 HydrophobicContact CG-CB 4.37Å; L654-F737 PolarHBondContact O-N 2.73Å; C655-F737 WeakPolarHBondContact CA-O 3.23Å; A656-F737 PolarHBondContact N-O 3.2Å
738	Y	95.2	Very high	92.8	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.039	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.9	175.2	-61	-83.5	0	0	0	111.5	A656 L726 V736 L742 R743 L746	A656-Y738 HydrophobicContact CB-CD1 4.28Å; L726-Y738 HydrophobicContact CB-CE1 4.45Å; L726-Y738 HydrophobicContact CG-CE1 4.26Å; L726-Y738 PolarHBondContact N-OH 3.26Å; L726-Y738 PolarHBondContact O-OH 3.46Å; V736-Y738 HydrophobicContact CB-CD2 4.28Å; V736-Y738 HydrophobicContact CB-CE2 3.61Å; V736-Y738 HydrophobicContact CG1-CD1 4.01Å; V736-Y738 HydrophobicContact CG1-CD2 3.94Å; V736-Y738 HydrophobicContact CG1-CE1 3.59Å; V736-Y738 HydrophobicContact CG1-CE2 3.51Å; V736-Y738 HydrophobicContact CG1-CG 4.17Å; Y738-L742 HydrophobicContact CD1-CB 4.23Å; Y738-L742 HydrophobicContact CD1-CD1 4.34Å; Y738-R743 VanDerWaalsContact O-CZ 3.28Å; Y738-R743 PolarHBondContact O-NE 3.43Å; Y738-R743 PolarHBondContact O-NH2 2.9Å; Y738-L746 HydrophobicContact CD1-CD1 3.4Å; Y738-L746 VanDerWaalsContact CD1-CD1 3.4Å; Y738-L746 HydrophobicContact CD2-CD1 3.64Å; Y738-L746 HydrophobicContact CE1-CD1 3.53Å; Y738-L746 HydrophobicContact CE2-CD1 3.77Å; Y738-L746 HydrophobicContact CG-CD1 3.45Å; Y738-L746 VanDerWaalsContact CG-CD1 3.45Å
739	G	94.3	Very high	92.7	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	19%	0.191	C	C	.	.			trans	-58.2	164.1	170.7	0	0	0	0	0	112.8	A656 E741 L742 R743	A656-G739 PolarHBondContact O-N 3.14Å; G739-E741 VanDerWaalsContact C-N 3.3Å; G739-E741 PolarHBondContact O-N 3.34Å; G739-E741 VanDerWaalsContact O-N 3.16Å; G739-L742 PolarHBondContact O-N 3.46Å; G739-R743 WeakPolarHBondContact O-CB 3.44Å; G739-R743 PolarHBondContact O-N 3.46Å
740	I	92.5	Very high	92.8	Very high	111 Å²	111	41 Å²	41	57%	0.569	18%	0.183	S	C	*	.	H	α-helix	trans	-60.5	-32.2	-165.9	-169.9	59.6	0	0	0	114.5	R744	I740-R744 HydrophobicContact CD1-CG 4.44Å; I740-R744 WeakPolarHBondContact O-CB 3.43Å; I740-R744 WeakPolarHBondContact O-CD 3.4Å; I740-R744 VanDerWaalsContact O-CG 3.24Å; I740-R744 WeakPolarHBondContact O-CG 3.32Å; I740-R744 PolarHBondContact O-N 2.9Å
741	E	94.1	Very high	92.8	Very high	63 Å²	63	46 Å²	46	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-67.5	-57.1	174	-175.4	176.9	-179.3	0	0	111	W660 G721 G739 R743 R744 A745	W660-E741 PolarHBondContact NE1-OE2 2.89Å; G721-E741 PolarHBondContact N-OE1 3.44Å; G739-E741 VanDerWaalsContact C-N 3.3Å; G739-E741 PolarHBondContact O-N 3.34Å; G739-E741 VanDerWaalsContact O-N 3.16Å; E741-R743 VanDerWaalsContact C-N 3.32Å; E741-R743 PolarHBondContact O-N 3.09Å; E741-R744 PolarHBondContact O-N 3.23Å; E741-A745 PolarHBondContact O-N 3.41Å
742	L	94.7	Very high	92.9	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-40.7	-179.1	-70.8	-175.5	0	0	0	112.3	A656 I658 L667 F718 L724 Y738 G739 R744 A745 L746	A656-L742 HydrophobicContact CB-CD1 4.48Å; I658-L742 HydrophobicContact CD1-CD1 4.06Å; I658-L742 HydrophobicContact CD1-CD2 4.07Å; I658-L742 HydrophobicContact CD1-CG 4.38Å; I658-L742 HydrophobicContact CG1-CD1 4.01Å; I658-L742 HydrophobicContact CG1-CD2 3.66Å; I658-L742 HydrophobicContact CG1-CG 3.85Å; L667-L742 HydrophobicContact CD1-CD1 4.32Å; F718-L742 HydrophobicContact CZ-CD2 4.03Å; L724-L742 HydrophobicContact CB-CD2 3.92Å; L724-L742 HydrophobicContact CD2-CD1 4.45Å; Y738-L742 HydrophobicContact CD1-CB 4.23Å; Y738-L742 HydrophobicContact CD1-CD1 4.34Å; G739-L742 PolarHBondContact O-N 3.46Å; L742-R744 PolarHBondContact O-N 2.77Å; L742-A745 PolarHBondContact O-N 2.86Å; L742-L746 WeakPolarHBondContact O-CB 3.16Å; L742-L746 WeakPolarHBondContact O-CG 3.19Å; L742-L746 PolarHBondContact O-N 2.94Å
743	R	93.4	Very high	92.9	Very high	67 Å²	67	50.4 Å²	50.4	25%	0.253	24%	0.236	S	C	.	.	H	α-helix	trans	-62.7	-42.1	178.6	-163.3	-178.3	-54.3	-153.8	1	111.9	Y738 G739 E741 F747	Y738-R743 VanDerWaalsContact O-CZ 3.28Å; Y738-R743 PolarHBondContact O-NE 3.43Å; Y738-R743 PolarHBondContact O-NH2 2.9Å; G739-R743 WeakPolarHBondContact O-CB 3.44Å; G739-R743 PolarHBondContact O-N 3.46Å; E741-R743 VanDerWaalsContact C-N 3.32Å; E741-R743 PolarHBondContact O-N 3.09Å; R743-F747 HydrophobicContact CG-CD1 4.25Å; R743-F747 HydrophobicContact CG-CD2 4.49Å; R743-F747 HydrophobicContact CG-CE1 3.84Å; R743-F747 HydrophobicContact CG-CE2 4.11Å; R743-F747 HydrophobicContact CG-CZ 3.76Å; R743-F747 WeakPolarHBondContact O-CB 3.15Å; R743-F747 WeakPolarHBondContact O-CD1 3.37Å; R743-F747 VanDerWaalsContact O-CG 3.31Å; R743-F747 WeakPolarHBondContact O-CG 3.4Å; R743-F747 PolarHBondContact O-N 3.32Å
744	R	92.4	Very high	92.8	Very high	176 Å²	176	52 Å²	52	66%	0.664	25%	0.253	S	S	*	.	H	α-helix	trans	-65.7	-41.6	175.4	-74.7	171.5	176.4	170.1	-0.2	111.8	I740 E741 L742 K748	I740-R744 HydrophobicContact CD1-CG 4.44Å; I740-R744 WeakPolarHBondContact O-CB 3.43Å; I740-R744 WeakPolarHBondContact O-CD 3.4Å; I740-R744 VanDerWaalsContact O-CG 3.24Å; I740-R744 WeakPolarHBondContact O-CG 3.32Å; I740-R744 PolarHBondContact O-N 2.9Å; E741-R744 PolarHBondContact O-N 3.23Å; L742-R744 PolarHBondContact O-N 2.77Å; R744-K748 VanDerWaalsContact O-CB 3.24Å; R744-K748 WeakPolarHBondContact O-CB 3.22Å; R744-K748 PolarHBondContact O-N 3.04Å
745	A	94.4	Very high	92.5	Very high	9 Å²	9	53 Å²	53	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-47.5	176.1	0	0	0	0	0	111.8	W723 E741 L742 K748 S749	W723-A745 HydrophobicContact CB-CB 4.4Å; E741-A745 PolarHBondContact O-N 3.41Å; L742-A745 PolarHBondContact O-N 2.86Å; A745-K748 PolarHBondContact O-N 3.04Å; A745-S749 WeakPolarHBondContact O-CB 3.26Å; A745-S749 PolarHBondContact O-N 3.39Å
746	L	93.3	Very high	92.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-49.5	176.4	-81.3	167.1	0	0	0	112.6	L724 K725 Y738 L742 S749 F750 F753 I761	L724-L746 WeakPolarHBondContact O-CD1 3.49Å; L724-L746 WeakPolarHBondContact O-CD2 3.22Å; K725-L746 HydrophobicContact CB-CD2 4.12Å; K725-L746 HydrophobicContact CD-CD2 4.24Å; Y738-L746 HydrophobicContact CD1-CD1 3.4Å; Y738-L746 VanDerWaalsContact CD1-CD1 3.4Å; Y738-L746 HydrophobicContact CD2-CD1 3.64Å; Y738-L746 HydrophobicContact CE1-CD1 3.53Å; Y738-L746 HydrophobicContact CE2-CD1 3.77Å; Y738-L746 HydrophobicContact CG-CD1 3.45Å; Y738-L746 VanDerWaalsContact CG-CD1 3.45Å; L742-L746 WeakPolarHBondContact O-CB 3.16Å; L742-L746 WeakPolarHBondContact O-CG 3.19Å; L742-L746 PolarHBondContact O-N 2.94Å; L746-S749 CarbonylContact O-C 3.53Å; L746-S749 PolarHBondContact O-N 3.26Å; L746-F750 WeakPolarHBondContact O-CA 3.5Å; L746-F750 PolarHBondContact O-N 3.24Å; L746-F753 HydrophobicContact CD2-CE2 3.91Å; L746-F753 HydrophobicContact CD2-CZ 3.64Å; L746-I761 HydrophobicContact CD2-CD1 4.17Å
747	F	91.1	Very high	92.2	Very high	68 Å²	68	52.1 Å²	52.1	30%	0.298	26%	0.256	S	S	.	.	H	α-helix	trans	-68.4	-37.6	-177.5	-71.8	14.2	0	0	0	110.9	R743 S749 F750 I761 A770 L774	R743-F747 HydrophobicContact CG-CD1 4.25Å; R743-F747 HydrophobicContact CG-CD2 4.49Å; R743-F747 HydrophobicContact CG-CE1 3.84Å; R743-F747 HydrophobicContact CG-CE2 4.11Å; R743-F747 HydrophobicContact CG-CZ 3.76Å; R743-F747 WeakPolarHBondContact O-CB 3.15Å; R743-F747 WeakPolarHBondContact O-CD1 3.37Å; R743-F747 VanDerWaalsContact O-CG 3.31Å; R743-F747 WeakPolarHBondContact O-CG 3.4Å; R743-F747 PolarHBondContact O-N 3.32Å; F747-S749 VanDerWaalsContact C-N 3.31Å; F747-S749 PolarHBondContact O-N 3.02Å; F747-F750 VanDerWaalsContact O-CB 3.26Å; F747-F750 WeakPolarHBondContact O-CB 3.32Å; F747-F750 PolarHBondContact O-N 3.05Å; F747-I761 HydrophobicContact CD1-CG2 4.07Å; F747-I761 HydrophobicContact CE1-CG2 3.89Å; F747-A770 HydrophobicContact CE2-CB 4.38Å; F747-L774 HydrophobicContact CD1-CD2 4.04Å; F747-L774 HydrophobicContact CD2-CD2 4.34Å; F747-L774 HydrophobicContact CE1-CD1 3.97Å; F747-L774 HydrophobicContact CE1-CD2 4.28Å; F747-L774 HydrophobicContact CE2-CD1 4.34Å; F747-L774 HydrophobicContact CE2-CG 4.45Å; F747-L774 HydrophobicContact CG-CD2 4.08Å; F747-L774 HydrophobicContact CZ-CD1 3.85Å; F747-L774 HydrophobicContact CZ-CG 4.41Å
748	K	91.4	Very high	92.2	Very high	191 Å²	191	48.7 Å²	48.7	83%	0.83	24%	0.24	S	C	*	.	H	α-helix	trans	-64.9	-33.4	173.5	-175.3	178	178	-177.1	0	112.8	R744 A745	R744-K748 VanDerWaalsContact O-CB 3.24Å; R744-K748 WeakPolarHBondContact O-CB 3.22Å; R744-K748 PolarHBondContact O-N 3.04Å; A745-K748 PolarHBondContact O-N 3.04Å
749	S	93	Very high	92	Very high	26 Å²	26	48.3 Å²	48.3	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	16.2	176.7	-69.6	0	0	0	0	113.7	A745 L746 F747 Q751 C752 F753	A745-S749 WeakPolarHBondContact O-CB 3.26Å; A745-S749 PolarHBondContact O-N 3.39Å; L746-S749 CarbonylContact O-C 3.53Å; L746-S749 PolarHBondContact O-N 3.26Å; F747-S749 VanDerWaalsContact C-N 3.31Å; F747-S749 PolarHBondContact O-N 3.02Å; S749-Q751 VanDerWaalsContact C-N 3.28Å; S749-Q751 PolarHBondContact O-N 3.45Å; S749-C752 VanDerWaalsContact O-CB 3.26Å; S749-C752 WeakPolarHBondContact O-CB 3.26Å; S749-C752 PolarHBondContact O-N 2.69Å; S749-F753 WeakPolarHBondContact O-CD2 3.41Å; S749-F753 WeakPolarHBondContact O-CE2 3.44Å
750	F	92.8	Very high	91.8	Very high	4 Å²	4	48 Å²	48	2%	0.018	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.5	-40	-173.4	175.6	-112.4	0	0	0	113.1	L746 F747 C752 F753 R758 I761 L762 L774 A777 C778 M786	L746-F750 WeakPolarHBondContact O-CA 3.5Å; L746-F750 PolarHBondContact O-N 3.24Å; F747-F750 VanDerWaalsContact O-CB 3.26Å; F747-F750 WeakPolarHBondContact O-CB 3.32Å; F747-F750 PolarHBondContact O-N 3.05Å; F750-C752 PolarHBondContact O-N 2.98Å; F750-F753 PolarHBondContact O-N 3.46Å; F750-R758 HydrophobicContact CD2-CB 4.42Å; F750-R758 HydrophobicContact CD2-CG 4.13Å; F750-R758 HydrophobicContact CE2-CB 3.68Å; F750-R758 HydrophobicContact CE2-CG 3.86Å; F750-R758 HydrophobicContact CZ-CB 3.93Å; F750-R758 HydrophobicContact CZ-CG 4.19Å; F750-R758 WeakPolarHBondContact O-CD 3.48Å; F750-R758 WeakPolarHBondContact O-CG 3.4Å; F750-I761 HydrophobicContact CD2-CB 4.21Å; F750-I761 HydrophobicContact CD2-CD1 4.15Å; F750-I761 HydrophobicContact CD2-CG2 3.89Å; F750-I761 HydrophobicContact CE2-CB 4.16Å; F750-I761 HydrophobicContact CE2-CG2 4.1Å; F750-L762 HydrophobicContact CZ-CD1 4.38Å; F750-L762 HydrophobicContact CZ-CG 4.37Å; F750-L774 HydrophobicContact CD1-CD2 4.39Å; F750-L774 HydrophobicContact CD2-CD2 3.95Å; F750-L774 HydrophobicContact CE2-CD2 4.14Å; F750-L774 HydrophobicContact CG-CD2 4.07Å; F750-L774 HydrophobicContact CZ-CD2 4.44Å; F750-A777 HydrophobicContact CD1-CB 4.19Å; F750-A777 HydrophobicContact CE1-CB 4.39Å; F750-C778 WeakPolarHBondContact CE1-SG 3.27Å; F750-M786 HydrophobicContact CZ-CE 4.36Å
751	Q	90.3	Very high	91.8	Very high	108 Å²	108	43 Å²	43	51%	0.505	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-76.2	-1.1	177.1	-68.9	-64	-1.9	0	0	114.7	S749 R758 A777	S749-Q751 VanDerWaalsContact C-N 3.28Å; S749-Q751 PolarHBondContact O-N 3.45Å; Q751-R758 VanDerWaalsContact OE1-CZ 3.28Å; Q751-A777 PolarHBondContact NE2-O 3.25Å
752	C	90.3	Very high	91.7	Very high	95 Å²	95	40 Å²	40	64%	0.642	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-89.3	-7.4	172.4	-54	0	0	0	0	113.1	S749 F750	S749-C752 VanDerWaalsContact O-CB 3.26Å; S749-C752 WeakPolarHBondContact O-CB 3.26Å; S749-C752 PolarHBondContact O-N 2.69Å; F750-C752 PolarHBondContact O-N 2.98Å
753	F	91.8	Very high	91.3	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.057	20%	0.204	C	C	.	.	S	Bend	trans	-96.4	147.7	-177.5	-66.5	-77.9	0	0	0	112.1	W723 K725 W728 L746 S749 F750 N757 R758 I761	W723-F753 HydrophobicContact CB-CZ 4.21Å; W723-F753 AromaticContact CD2-CE1 3.92Å; W723-F753 HydrophobicContact CD2-CE1 3.92Å; W723-F753 AromaticContact CD2-CZ 3.55Å; W723-F753 HydrophobicContact CD2-CZ 3.55Å; W723-F753 AromaticContact CE3-CE1 3.58Å; W723-F753 HydrophobicContact CE3-CE1 3.58Å; W723-F753 AromaticContact CE3-CZ 3.55Å; W723-F753 HydrophobicContact CE3-CZ 3.55Å; W723-F753 AromaticContact CG-CZ 3.86Å; W723-F753 HydrophobicContact CG-CZ 3.86Å; W723-F753 HydrophobicContact CH2-CE1 4.09Å; W723-F753 HydrophobicContact CZ2-CE1 4.35Å; W723-F753 AromaticContact CZ3-CE1 3.69Å; W723-F753 HydrophobicContact CZ3-CE1 3.69Å; W723-F753 HydrophobicContact CZ3-CZ 4.15Å; K725-F753 HydrophobicContact CB-CE1 3.83Å; K725-F753 HydrophobicContact CB-CZ 4.29Å; K725-F753 HydrophobicContact CG-CE1 4.15Å; W728-F753 HydrophobicContact CH2-CD1 4.35Å; W728-F753 HydrophobicContact CZ3-CD1 4.16Å; W728-F753 HydrophobicContact CZ3-CE1 4.04Å; L746-F753 HydrophobicContact CD2-CE2 3.91Å; L746-F753 HydrophobicContact CD2-CZ 3.64Å; S749-F753 WeakPolarHBondContact O-CD2 3.41Å; S749-F753 WeakPolarHBondContact O-CE2 3.44Å; F750-F753 PolarHBondContact O-N 3.46Å; F753-N757 HydrophobicContact CB-CB 3.98Å; F753-N757 HydrophobicContact CD1-CB 4.18Å; F753-N757 HydrophobicContact CG-CB 4.39Å; F753-R758 HydrophobicContact CB-CG 3.79Å; F753-R758 WeakPolarHBondContact O-CD 3.42Å; F753-R758 WeakPolarHBondContact O-CG 3.33Å; F753-I761 HydrophobicContact CD2-CD1 3.7Å; F753-I761 HydrophobicContact CE2-CD1 3.93Å; F753-I761 HydrophobicContact CG-CD1 4.15Å
754	G	89.1	Confident	91.1	Very high	35 Å²	35	38.5 Å²	38.5	36%	0.361	20%	0.197	S	C	.	.			trans	-66.4	154.8	168.3	0	0	0	0	0	112.6	T756 N757 R758	G754-T756 PolarHBondContact O-N 3.18Å; G754-N757 WeakPolarHBondContact O-CA 3.46Å; G754-N757 WeakPolarHBondContact O-CB 3.24Å; G754-N757 PolarHBondContact O-N 2.87Å; G754-R758 PolarHBondContact O-N 3.3Å
755	D	87.2	Confident	90.8	Very high	21 Å²	21	30.9 Å²	30.9	11%	0.112	17%	0.171	C	C	.	.	H	α-helix	trans	-21.4	-71.8	171.8	45.7	28.2	0	0	0	115.9	R543 V547 N757 R758 M759	R543-D755 IonicContact CZ-OD1 3.87Å; R543-D755 IonicContact CZ-OD2 2.73Å; R543-D755 IonicContact NE-OD1 3.31Å; R543-D755 IonicContact NE-OD2 3.87Å; R543-D755 PolarHBondContact NE-OD2 2.81Å; R543-D755 VanDerWaalsContact NH2-CG 3.34Å; R543-D755 IonicContact NH2-OD1 3.09Å; R543-D755 PolarHBondContact NH2-OD1 3.29Å; R543-D755 IonicContact NH2-OD2 3.79Å; R543-D755 PolarHBondContact NH2-OD2 3.34Å; V547-D755 HydrophobicContact CG2-CB 4.26Å; D755-N757 VanDerWaalsContact C-N 3.27Å; D755-N757 PolarHBondContact O-N 3.4Å; D755-R758 WeakPolarHBondContact O-CA 3.42Å; D755-R758 WeakPolarHBondContact O-CB 3.47Å; D755-R758 PolarHBondContact O-N 3.03Å; D755-M759 WeakPolarHBondContact O-CG 3.43Å; D755-M759 PolarHBondContact O-N 3.09Å
756	T	89.6	Confident	89.9	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-35.3	-176.3	52.2	0	0	0	0	113.2	V547 A550 F730 G754 M759 S760	V547-T756 HydrophobicContact CG2-CG2 4.02Å; A550-T756 HydrophobicContact CB-CG2 4.41Å; F730-T756 WeakPolarHBondContact CB-O 3.49Å; G754-T756 PolarHBondContact O-N 3.18Å; T756-M759 PolarHBondContact O-N 3.1Å; T756-S760 PolarHBondContact O-N 2.75Å
757	N	92.6	Very high	89.6	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-74.1	-34.1	176.3	-75.6	-72	0	0	0	112	K725 W728 D729 F753 G754 D755 S760 I761	K725-N757 WeakPolarHBondContact CE-O 3.31Å; K725-N757 PolarHBondContact NZ-OD1 2.73Å; W728-N757 WeakPolarHBondContact CA-OD1 3.49Å; D729-N757 PolarHBondContact N-ND2 3.26Å; D729-N757 PolarHBondContact N-OD1 2.81Å; D729-N757 PolarHBondContact OD1-ND2 2.71Å; F753-N757 HydrophobicContact CB-CB 3.98Å; F753-N757 HydrophobicContact CD1-CB 4.18Å; F753-N757 HydrophobicContact CG-CB 4.39Å; G754-N757 WeakPolarHBondContact O-CA 3.46Å; G754-N757 WeakPolarHBondContact O-CB 3.24Å; G754-N757 PolarHBondContact O-N 2.87Å; D755-N757 VanDerWaalsContact C-N 3.27Å; D755-N757 PolarHBondContact O-N 3.4Å; N757-S760 PolarHBondContact O-N 3.42Å; N757-I761 VanDerWaalsContact O-CG1 3.29Å; N757-I761 WeakPolarHBondContact O-CG1 3.19Å; N757-I761 PolarHBondContact O-N 3.41Å
758	R	93.2	Very high	89.6	Confident	11 Å²	11	37.8 Å²	37.8	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-38.7	171.2	-69.1	176.9	60.7	-140.2	-6.6	111.5	F750 Q751 F753 G754 D755 I761 L762 C778 E781 M786	F750-R758 HydrophobicContact CD2-CB 4.42Å; F750-R758 HydrophobicContact CD2-CG 4.13Å; F750-R758 HydrophobicContact CE2-CB 3.68Å; F750-R758 HydrophobicContact CE2-CG 3.86Å; F750-R758 HydrophobicContact CZ-CB 3.93Å; F750-R758 HydrophobicContact CZ-CG 4.19Å; F750-R758 WeakPolarHBondContact O-CD 3.48Å; F750-R758 WeakPolarHBondContact O-CG 3.4Å; Q751-R758 VanDerWaalsContact OE1-CZ 3.28Å; F753-R758 HydrophobicContact CB-CG 3.79Å; F753-R758 WeakPolarHBondContact O-CD 3.42Å; F753-R758 WeakPolarHBondContact O-CG 3.33Å; G754-R758 PolarHBondContact O-N 3.3Å; D755-R758 WeakPolarHBondContact O-CA 3.42Å; D755-R758 WeakPolarHBondContact O-CB 3.47Å; D755-R758 PolarHBondContact O-N 3.03Å; R758-I761 PolarHBondContact O-N 3.02Å; R758-L762 PolarHBondContact O-N 3.37Å; R758-C778 PolarHBondContact NH2-SG 2.94Å; R758-E781 IonicContact CZ-OE2 3.02Å; R758-E781 IonicContact NH1-OE1 3.87Å; R758-E781 IonicContact NH1-OE2 3.62Å; R758-E781 PolarHBondContact NH1-OE2 3.09Å; R758-E781 IonicContact NH2-OE2 2.66Å; R758-E781 PolarHBondContact NH2-OE2 3.43Å; R758-M786 HydrophobicContact CB-CE 3.88Å; R758-M786 HydrophobicContact CB-SD 3.83Å
759	M	89.9	Confident	89.7	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-43.7	172.5	-64	176.1	176.5	0	0	112.3	V547 A550 L551 F730 D755 T756 L762 A763 G785 M786 L789	V547-M759 HydrophobicContact CG1-CE 3.57Å; V547-M759 HydrophobicContact CG1-SD 4.08Å; A550-M759 HydrophobicContact CB-SD 4.42Å; L551-M759 HydrophobicContact CD1-CE 4.14Å; L551-M759 HydrophobicContact CD2-CE 3.75Å; L551-M759 HydrophobicContact CD2-CG 4.38Å; L551-M759 HydrophobicContact CD2-SD 3.61Å; L551-M759 HydrophobicContact CG-CE 4.06Å; L551-M759 HydrophobicContact CG-SD 3.85Å; F730-M759 HydrophobicContact CD1-CB 4.14Å; F730-M759 HydrophobicContact CE1-CB 4.46Å; D755-M759 WeakPolarHBondContact O-CG 3.43Å; D755-M759 PolarHBondContact O-N 3.09Å; T756-M759 PolarHBondContact O-N 3.1Å; M759-L762 PolarHBondContact O-N 3Å; M759-A763 WeakPolarHBondContact O-CB 3.31Å; M759-A763 PolarHBondContact O-N 3.46Å; M759-G785 VanDerWaalsContact CE-O 3.32Å; M759-G785 WeakPolarHBondContact CE-O 3.33Å; M759-M786 HydrophobicContact CE-CG 4.02Å; M759-M786 HydrophobicContact CE-SD 3.8Å; M759-M786 HydrophobicContact CG-SD 3.48Å; M759-M786 WeakPolarHBondContact CG-SD 3.47Å; M759-L789 HydrophobicContact CB-CD2 4.11Å; M759-L789 HydrophobicContact CG-CD2 3.82Å
760	S	90.6	Very high	89.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-43.9	173.6	149.8	0	0	0	0	112.1	K725 T756 N757 L762 A763 D764	K725-S760 VanDerWaalsContact CE-OG 3.23Å; K725-S760 WeakPolarHBondContact CE-OG 3.22Å; K725-S760 PolarHBondContact NZ-OG 3.2Å; T756-S760 PolarHBondContact O-N 2.75Å; N757-S760 PolarHBondContact O-N 3.42Å; S760-L762 VanDerWaalsContact C-N 3.32Å; S760-L762 PolarHBondContact O-N 3.22Å; S760-A763 PolarHBondContact O-N 2.81Å; S760-D764 WeakPolarHBondContact O-CB 3.37Å; S760-D764 PolarHBondContact O-N 3.27Å; S760-D764 PolarHBondContact OG-OD2 2.71Å
761	I	93.3	Very high	89.6	Confident	4 Å²	4	31 Å²	31	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-39.4	178.9	-67.4	162.6	0	0	0	111.5	K725 L746 F747 F750 F753 N757 R758 L774	K725-I761 HydrophobicContact CD-CD1 4.25Å; K725-I761 HydrophobicContact CD-CG1 4.03Å; L746-I761 HydrophobicContact CD2-CD1 4.17Å; F747-I761 HydrophobicContact CD1-CG2 4.07Å; F747-I761 HydrophobicContact CE1-CG2 3.89Å; F750-I761 HydrophobicContact CD2-CB 4.21Å; F750-I761 HydrophobicContact CD2-CD1 4.15Å; F750-I761 HydrophobicContact CD2-CG2 3.89Å; F750-I761 HydrophobicContact CE2-CB 4.16Å; F750-I761 HydrophobicContact CE2-CG2 4.1Å; F753-I761 HydrophobicContact CD2-CD1 3.7Å; F753-I761 HydrophobicContact CE2-CD1 3.93Å; F753-I761 HydrophobicContact CG-CD1 4.15Å; N757-I761 VanDerWaalsContact O-CG1 3.29Å; N757-I761 WeakPolarHBondContact O-CG1 3.19Å; N757-I761 PolarHBondContact O-N 3.41Å; R758-I761 PolarHBondContact O-N 3.02Å; I761-L774 HydrophobicContact CG2-CD1 4.06Å; I761-L774 HydrophobicContact CG2-CD2 4.23Å
762	L	91.3	Very high	89.8	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-51.9	170.4	-85.4	163.1	0	0	0	111.3	F750 R758 M759 S760 D764 A765 Y771 L774 L775 M786 L789	F750-L762 HydrophobicContact CZ-CD1 4.38Å; F750-L762 HydrophobicContact CZ-CG 4.37Å; R758-L762 PolarHBondContact O-N 3.37Å; M759-L762 PolarHBondContact O-N 3Å; S760-L762 VanDerWaalsContact C-N 3.32Å; S760-L762 PolarHBondContact O-N 3.22Å; L762-D764 PolarHBondContact O-N 3.02Å; L762-A765 VanDerWaalsContact O-CB 3.27Å; L762-A765 WeakPolarHBondContact O-CB 3.32Å; L762-A765 PolarHBondContact O-N 2.89Å; L762-Y771 HydrophobicContact CB-CE2 3.96Å; L762-Y771 HydrophobicContact CD2-CD2 4.16Å; L762-Y771 HydrophobicContact CD2-CE1 4.44Å; L762-Y771 HydrophobicContact CD2-CE2 3.99Å; L762-Y771 HydrophobicContact CD2-CG 4.43Å; L762-Y771 WeakPolarHBondContact O-CD2 3.28Å; L762-Y771 VanDerWaalsContact O-CE2 3.23Å; L762-Y771 WeakPolarHBondContact O-CE2 3.3Å; L762-L774 HydrophobicContact CD2-CB 3.46Å; L762-L774 VanDerWaalsContact CD2-CB 3.46Å; L762-L774 HydrophobicContact CD2-CD1 4.3Å; L762-L774 HydrophobicContact CG-CB 4.2Å; L762-L775 HydrophobicContact CD1-CD2 4.25Å; L762-L775 HydrophobicContact CD2-CD2 3.85Å; L762-L775 HydrophobicContact CD2-CG 4.1Å; L762-M786 HydrophobicContact CD1-CE 3.73Å; L762-L789 HydrophobicContact CB-CD2 4.42Å; L762-L789 HydrophobicContact CD1-CD2 3.74Å
763	A	87.1	Confident	89.9	Confident	22 Å²	22	25.2 Å²	25.2	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-71.9	-13	-174.4	0	0	0	0	0	114.4	F730 R735 M759 S760	F730-A763 HydrophobicContact CE1-CB 4.3Å; F730-A763 HydrophobicContact CZ-CB 4.11Å; R735-A763 PolarHBondContact NE-O 2.88Å; R735-A763 PolarHBondContact NH1-O 2.99Å; M759-A763 WeakPolarHBondContact O-CB 3.31Å; M759-A763 PolarHBondContact O-N 3.46Å; S760-A763 PolarHBondContact O-N 2.81Å
764	D	88.4	Confident	90	Very high	17 Å²	17	24.9 Å²	24.9	9%	0.091	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.2	168.8	-73.2	-38.9	0	0	0	113.2	R735 V736 S760 L762 V766	R735-D764 WeakPolarHBondContact CA-OD1 3.48Å; R735-D764 VanDerWaalsContact CD-OD1 3.26Å; R735-D764 WeakPolarHBondContact CD-OD1 3.22Å; V736-D764 PolarHBondContact N-OD1 2.57Å; S760-D764 WeakPolarHBondContact O-CB 3.37Å; S760-D764 PolarHBondContact O-N 3.27Å; S760-D764 PolarHBondContact OG-OD2 2.71Å; L762-D764 PolarHBondContact O-N 3.02Å; D764-V766 PolarHBondContact O-N 2.86Å; D764-V766 VanDerWaalsContact O-N 3.1Å
765	A	85.4	Confident	90.3	Very high	15 Å²	15	23.2 Å²	23.2	12%	0.124	13%	0.125	C	C	.	.			trans	-83	87.1	-175.1	0	0	0	0	0	113.4	L762 K767 Y771 L774	L762-A765 VanDerWaalsContact O-CB 3.27Å; L762-A765 WeakPolarHBondContact O-CB 3.32Å; L762-A765 PolarHBondContact O-N 2.89Å; A765-K767 VanDerWaalsContact C-N 3.33Å; A765-K767 PolarHBondContact O-N 3.29Å; A765-Y771 HydrophobicContact CB-CD2 4.25Å; A765-L774 HydrophobicContact CB-CD1 3.85Å
766	V	76.2	Confident	90.5	Very high	106 Å²	106	24.9 Å²	24.9	64%	0.642	13%	0.132	S	C	*	.			trans	-56.7	-30.9	-174.4	-175	0	0	0	0	115.8	D764	D764-V766 PolarHBondContact O-N 2.86Å; D764-V766 VanDerWaalsContact O-N 3.1Å
767	K	86.5	Confident	90.6	Very high	106 Å²	106	27 Å²	27	46%	0.461	15%	0.15	S	C	.	.	S	Bend	trans	-92.7	132.8	177.8	-96.9	-172.4	174.3	-99.4	0	110.7	A765 I769 A770 Y771 E1040	A765-K767 VanDerWaalsContact C-N 3.33Å; A765-K767 PolarHBondContact O-N 3.29Å; K767-I769 PolarHBondContact O-N 3.44Å; K767-A770 HydrophobicContact CB-CB 4.22Å; K767-A770 PolarHBondContact O-N 3.27Å; K767-Y771 PolarHBondContact O-N 3.16Å; K767-E1040 IonicContact NZ-OE1 3.33Å; K767-E1040 PolarHBondContact NZ-OE1 2.62Å; K767-E1040 IonicContact NZ-OE2 2.68Å; K767-E1040 PolarHBondContact NZ-OE2 2.78Å
768	V	91.1	Very high	90.6	Very high	10 Å²	10	27 Å²	27	6%	0.061	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-36.3	177.9	177.9	0	0	0	0	111.8	Y771 L772 L797 F801 V1034 Q1037 V1041	V768-Y771 WeakPolarHBondContact O-CB 3.32Å; V768-Y771 PolarHBondContact O-N 3.13Å; V768-L772 HydrophobicContact CG1-CD1 3.96Å; V768-L772 HydrophobicContact CG1-CG 4.27Å; V768-L772 WeakPolarHBondContact O-CB 3.34Å; V768-L772 VanDerWaalsContact O-CG 3.25Å; V768-L772 WeakPolarHBondContact O-CG 3.46Å; V768-L772 PolarHBondContact O-N 2.95Å; V768-L797 HydrophobicContact CG1-CD2 4.46Å; V768-F801 HydrophobicContact CG1-CE2 4.16Å; V768-F801 HydrophobicContact CG1-CZ 4.33Å; V768-V1034 HydrophobicContact CG2-CG1 4.13Å; V768-V1034 HydrophobicContact CG2-CG2 4.44Å; V768-Q1037 HydrophobicContact CG2-CB 4.39Å; V768-V1041 HydrophobicContact CB-CG2 3.95Å; V768-V1041 HydrophobicContact CG1-CG2 3.59Å
769	I	93.2	Very high	90.3	Very high	21 Å²	21	29.1 Å²	29.1	11%	0.108	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-46.7	174.4	-71.6	176.1	0	0	0	112	K767 Y771 L772 E773 E1040 V1041 W1044	K767-I769 PolarHBondContact O-N 3.44Å; I769-Y771 VanDerWaalsContact C-N 3.25Å; I769-Y771 PolarHBondContact O-N 3.43Å; I769-L772 PolarHBondContact O-N 3.47Å; I769-E773 HydrophobicContact CG2-CG 4.39Å; I769-E773 WeakPolarHBondContact O-CB 3.49Å; I769-E773 WeakPolarHBondContact O-CG 3.41Å; I769-E773 PolarHBondContact O-N 3.29Å; I769-E1040 HydrophobicContact CD1-CB 3.93Å; I769-E1040 HydrophobicContact CD1-CG 3.53Å; I769-V1041 HydrophobicContact CG1-CG2 4.23Å; I769-W1044 HydrophobicContact CD1-CB 3.87Å; I769-W1044 HydrophobicContact CD1-CG 4.25Å; I769-W1044 HydrophobicContact CG1-CB 4.13Å; I769-W1044 HydrophobicContact CG1-CG 4.17Å; I769-W1044 HydrophobicContact CG2-CG 4.12Å
770	A	90.9	Very high	90.2	Very high	20 Å²	20	36.3 Å²	36.3	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-34.4	178.3	0	0	0	0	0	111.5	F747 K767 L774	F747-A770 HydrophobicContact CE2-CB 4.38Å; K767-A770 HydrophobicContact CB-CB 4.22Å; K767-A770 PolarHBondContact O-N 3.27Å; A770-L774 WeakPolarHBondContact O-CG 3.47Å; A770-L774 PolarHBondContact O-N 3.49Å
771	Y	92.9	Very high	90	Very high	37 Å²	37	37 Å²	37	15%	0.145	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-48.3	171.8	-162.7	-90.2	0	0	0	111.6	L762 A765 K767 V768 I769 E773 L774 L775 S793 L797	L762-Y771 HydrophobicContact CB-CE2 3.96Å; L762-Y771 HydrophobicContact CD2-CD2 4.16Å; L762-Y771 HydrophobicContact CD2-CE1 4.44Å; L762-Y771 HydrophobicContact CD2-CE2 3.99Å; L762-Y771 HydrophobicContact CD2-CG 4.43Å; L762-Y771 WeakPolarHBondContact O-CD2 3.28Å; L762-Y771 VanDerWaalsContact O-CE2 3.23Å; L762-Y771 WeakPolarHBondContact O-CE2 3.3Å; A765-Y771 HydrophobicContact CB-CD2 4.25Å; K767-Y771 PolarHBondContact O-N 3.16Å; V768-Y771 WeakPolarHBondContact O-CB 3.32Å; V768-Y771 PolarHBondContact O-N 3.13Å; I769-Y771 VanDerWaalsContact C-N 3.25Å; I769-Y771 PolarHBondContact O-N 3.43Å; Y771-E773 VanDerWaalsContact C-N 3.32Å; Y771-E773 PolarHBondContact O-N 3.4Å; Y771-L774 PolarHBondContact O-N 3.21Å; Y771-L775 HydrophobicContact CD1-CD1 3.79Å; Y771-L775 HydrophobicContact CD1-CG 3.98Å; Y771-L775 HydrophobicContact CE1-CD1 3.69Å; Y771-L775 HydrophobicContact CE1-CD2 4.1Å; Y771-L775 HydrophobicContact CE1-CG 3.92Å; Y771-L775 WeakPolarHBondContact O-CG 3.5Å; Y771-L775 PolarHBondContact O-N 3.22Å; Y771-S793 PolarHBondContact OH-OG 3.47Å; Y771-L797 HydrophobicContact CD1-CD1 4.29Å; Y771-L797 HydrophobicContact CE1-CD1 4.46Å
772	L	94.8	Very high	89.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-34.8	177	-69.6	168.4	0	0	0	112.9	V768 I769 L775 E776 L797 L810 F813 F814 V1041 W1044	V768-L772 HydrophobicContact CG1-CD1 3.96Å; V768-L772 HydrophobicContact CG1-CG 4.27Å; V768-L772 WeakPolarHBondContact O-CB 3.34Å; V768-L772 VanDerWaalsContact O-CG 3.25Å; V768-L772 WeakPolarHBondContact O-CG 3.46Å; V768-L772 PolarHBondContact O-N 2.95Å; I769-L772 PolarHBondContact O-N 3.47Å; L772-L775 PolarHBondContact O-N 3.43Å; L772-E776 WeakPolarHBondContact O-CB 3.17Å; L772-E776 PolarHBondContact O-N 3.45Å; L772-L797 HydrophobicContact CD2-CD1 4.44Å; L772-L810 HydrophobicContact CD2-CD1 4.3Å; L772-F813 HydrophobicContact CD2-CD1 4.2Å; L772-F813 HydrophobicContact CD2-CE1 3.61Å; L772-F813 HydrophobicContact CD2-CZ 4.31Å; L772-F814 HydrophobicContact CD2-CE1 4.02Å; L772-F814 HydrophobicContact CD2-CZ 3.74Å; L772-V1041 HydrophobicContact CD1-CG1 3.91Å; L772-V1041 HydrophobicContact CD1-CG2 4.38Å; L772-W1044 HydrophobicContact CB-CH2 3.87Å; L772-W1044 HydrophobicContact CB-CZ2 4.39Å; L772-W1044 HydrophobicContact CB-CZ3 4Å; L772-W1044 HydrophobicContact CD1-CE3 4.26Å; L772-W1044 HydrophobicContact CD1-CZ3 4.14Å
773	E	93.6	Very high	89.4	Confident	83 Å²	83	43 Å²	43	39%	0.388	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-38.7	175	-74.5	175.4	163.4	0	0	112.4	I769 Y771 E776 A777 W1044	I769-E773 HydrophobicContact CG2-CG 4.39Å; I769-E773 WeakPolarHBondContact O-CB 3.49Å; I769-E773 WeakPolarHBondContact O-CG 3.41Å; I769-E773 PolarHBondContact O-N 3.29Å; Y771-E773 VanDerWaalsContact C-N 3.32Å; Y771-E773 PolarHBondContact O-N 3.4Å; E773-E776 PolarHBondContact O-N 3.28Å; E773-A777 WeakPolarHBondContact O-CB 3.18Å; E773-A777 PolarHBondContact O-N 2.75Å; E773-W1044 HydrophobicContact CG-CZ2 3.54Å; E773-W1044 PolarHBondContact OE1-NE1 2.72Å
774	L	93.4	Very high	89.3	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-37.1	171.9	-72.2	169.4	0	0	0	112.2	F747 F750 I761 L762 A765 A770 Y771 A777 C778	F747-L774 HydrophobicContact CD1-CD2 4.04Å; F747-L774 HydrophobicContact CD2-CD2 4.34Å; F747-L774 HydrophobicContact CE1-CD1 3.97Å; F747-L774 HydrophobicContact CE1-CD2 4.28Å; F747-L774 HydrophobicContact CE2-CD1 4.34Å; F747-L774 HydrophobicContact CE2-CG 4.45Å; F747-L774 HydrophobicContact CG-CD2 4.08Å; F747-L774 HydrophobicContact CZ-CD1 3.85Å; F747-L774 HydrophobicContact CZ-CG 4.41Å; F750-L774 HydrophobicContact CD1-CD2 4.39Å; F750-L774 HydrophobicContact CD2-CD2 3.95Å; F750-L774 HydrophobicContact CE2-CD2 4.14Å; F750-L774 HydrophobicContact CG-CD2 4.07Å; F750-L774 HydrophobicContact CZ-CD2 4.44Å; I761-L774 HydrophobicContact CG2-CD1 4.06Å; I761-L774 HydrophobicContact CG2-CD2 4.23Å; L762-L774 HydrophobicContact CD2-CB 3.46Å; L762-L774 VanDerWaalsContact CD2-CB 3.46Å; L762-L774 HydrophobicContact CD2-CD1 4.3Å; L762-L774 HydrophobicContact CG-CB 4.2Å; A765-L774 HydrophobicContact CB-CD1 3.85Å; A770-L774 WeakPolarHBondContact O-CG 3.47Å; A770-L774 PolarHBondContact O-N 3.49Å; Y771-L774 PolarHBondContact O-N 3.21Å; L774-A777 WeakPolarHBondContact O-CB 3.27Å; L774-A777 PolarHBondContact O-N 3.24Å; L774-C778 PolarHBondContact O-N 3.04Å; L774-C778 PolarHBondContact O-SG 3.35Å
775	L	94.5	Very high	89.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-40.1	172.3	-69.7	-177.5	0	0	0	111.9	L762 Y771 L772 A777 C778 M790 F814 L817	L762-L775 HydrophobicContact CD1-CD2 4.25Å; L762-L775 HydrophobicContact CD2-CD2 3.85Å; L762-L775 HydrophobicContact CD2-CG 4.1Å; Y771-L775 HydrophobicContact CD1-CD1 3.79Å; Y771-L775 HydrophobicContact CD1-CG 3.98Å; Y771-L775 HydrophobicContact CE1-CD1 3.69Å; Y771-L775 HydrophobicContact CE1-CD2 4.1Å; Y771-L775 HydrophobicContact CE1-CG 3.92Å; Y771-L775 WeakPolarHBondContact O-CG 3.5Å; Y771-L775 PolarHBondContact O-N 3.22Å; L772-L775 PolarHBondContact O-N 3.43Å; L775-A777 VanDerWaalsContact C-N 3.3Å; L775-A777 PolarHBondContact O-N 3.4Å; L775-C778 WeakPolarHBondContact O-CA 3.34Å; L775-C778 WeakPolarHBondContact O-CB 3.47Å; L775-C778 PolarHBondContact O-N 2.65Å; L775-M790 HydrophobicContact CD2-CB 4.33Å; L775-M790 HydrophobicContact CD2-CG 3.84Å; L775-F814 HydrophobicContact CD1-CE1 3.99Å; L775-L817 HydrophobicContact CB-CD2 4.05Å
776	E	92.9	Very high	89.3	Confident	55 Å²	55	41.7 Å²	41.7	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-35	174.8	-168.5	-170.8	-129.5	0	0	111.5	L772 E773 C778 A779 F813 R1048	L772-E776 WeakPolarHBondContact O-CB 3.17Å; L772-E776 PolarHBondContact O-N 3.45Å; E773-E776 PolarHBondContact O-N 3.28Å; E776-C778 PolarHBondContact O-N 2.97Å; E776-A779 WeakPolarHBondContact O-CB 3.47Å; E776-A779 PolarHBondContact O-N 3.24Å; E776-F813 HydrophobicContact CB-CE2 4.48Å; E776-F813 HydrophobicContact CB-CZ 4.36Å; E776-R1048 IonicContact OE1-CZ 2.94Å; E776-R1048 IonicContact OE1-NH1 2.66Å; E776-R1048 PolarHBondContact OE1-NH1 3.22Å; E776-R1048 IonicContact OE1-NH2 2.62Å; E776-R1048 IonicContact OE2-CZ 2.75Å; E776-R1048 IonicContact OE2-NH1 3.55Å; E776-R1048 PolarHBondContact OE2-NH1 3.27Å; E776-R1048 IonicContact OE2-NH2 3.43Å; E776-R1048 PolarHBondContact OE2-NH2 2.84Å
777	A	91.6	Very high	90	Very high	49 Å²	49	36.7 Å²	36.7	41%	0.405	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.7	171.1	0	0	0	0	0	113.6	F750 Q751 E773 L774 L775	F750-A777 HydrophobicContact CD1-CB 4.19Å; F750-A777 HydrophobicContact CE1-CB 4.39Å; Q751-A777 PolarHBondContact NE2-O 3.25Å; E773-A777 WeakPolarHBondContact O-CB 3.18Å; E773-A777 PolarHBondContact O-N 2.75Å; L774-A777 WeakPolarHBondContact O-CB 3.27Å; L774-A777 PolarHBondContact O-N 3.24Å; L775-A777 VanDerWaalsContact C-N 3.3Å; L775-A777 PolarHBondContact O-N 3.4Å
778	C	91.5	Very high	90.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	16.7	168.9	-56.6	0	0	0	0	113.5	F750 R758 L774 L775 E776 E780 E781 M790	F750-C778 WeakPolarHBondContact CE1-SG 3.27Å; R758-C778 PolarHBondContact NH2-SG 2.94Å; L774-C778 PolarHBondContact O-N 3.04Å; L774-C778 PolarHBondContact O-SG 3.35Å; L775-C778 WeakPolarHBondContact O-CA 3.34Å; L775-C778 WeakPolarHBondContact O-CB 3.47Å; L775-C778 PolarHBondContact O-N 2.65Å; E776-C778 PolarHBondContact O-N 2.97Å; C778-E780 PolarHBondContact O-N 3.3Å; C778-E781 WeakPolarHBondContact O-CB 3.41Å; C778-E781 PolarHBondContact O-N 2.97Å; C778-M790 HydrophobicContact CB-CE 3.64Å; C778-M790 HydrophobicContact CB-CG 4.27Å; C778-M790 HydrophobicContact CB-SD 3.4Å; C778-M790 WeakPolarHBondContact CB-SD 3.19Å; C778-M790 VanDerWaalsContact O-CE 3.31Å; C778-M790 WeakPolarHBondContact O-CE 3.19Å
779	A	87.7	Confident	90.1	Very high	56 Å²	56	32.6 Å²	32.6	46%	0.463	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	139.6	171.6	0	0	0	0	0	111.1	E776 E781 L817	E776-A779 WeakPolarHBondContact O-CB 3.47Å; E776-A779 PolarHBondContact O-N 3.24Å; A779-E781 VanDerWaalsContact C-N 3.26Å; A779-E781 PolarHBondContact O-N 3.43Å; A779-L817 HydrophobicContact CB-CD1 4.14Å
780	E	86.4	Confident	90.1	Very high	154 Å²	154	31.7 Å²	31.7	72%	0.72	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	26.9	-177.4	-55.6	178.6	-177.7	0	0	114.6	C778 T782	C778-E780 PolarHBondContact O-N 3.3Å; E780-T782 PolarHBondContact O-N 2.95Å
781	E	88.5	Confident	90.3	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.061	18%	0.175	C	C	.	.			trans	-52.1	131.4	176.1	-179.7	62.8	-105.5	0	0	113.5	R758 C778 A779 C783 M786 M790 M821	R758-E781 IonicContact CZ-OE2 3.02Å; R758-E781 IonicContact NH1-OE1 3.87Å; R758-E781 IonicContact NH1-OE2 3.62Å; R758-E781 PolarHBondContact NH1-OE2 3.09Å; R758-E781 IonicContact NH2-OE2 2.66Å; R758-E781 PolarHBondContact NH2-OE2 3.43Å; C778-E781 WeakPolarHBondContact O-CB 3.41Å; C778-E781 PolarHBondContact O-N 2.97Å; A779-E781 VanDerWaalsContact C-N 3.26Å; A779-E781 PolarHBondContact O-N 3.43Å; E781-C783 HydrophobicContact CG-CB 4.41Å; E781-C783 WeakPolarHBondContact OE1-CB 3.18Å; E781-C783 PolarHBondContact OE1-N 3.36Å; E781-M786 VanDerWaalsContact CD-CB 3.48Å; E781-M786 HydrophobicContact CG-CB 3.53Å; E781-M786 WeakPolarHBondContact OE2-CB 3.35Å; E781-M790 HydrophobicContact CB-SD 3.9Å; E781-M790 HydrophobicContact CG-SD 4.32Å; E781-M821 HydrophobicContact CB-SD 3.63Å; E781-M821 PolarHBondContact N-SD 2.9Å; E781-M821 VanDerWaalsContact N-SD 3.4Å
782	T	84.5	Confident	90.2	Very high	105 Å²	105	32 Å²	32	64%	0.644	19%	0.187	S	C	*	.			trans	-100.6	-26.5	176.9	55.2	0	0	0	0	113	E780 P784 Y825	E780-T782 PolarHBondContact O-N 2.95Å; T782-P784 WeakPolarHBondContact O-CD 3.43Å; T782-Y825 PolarHBondContact O-OH 2.93Å
783	C	86.3	Confident	90	Very high	27 Å²	27	32.2 Å²	32.2	18%	0.182	19%	0.188	C	C	.	.			trans	-69.2	118.8	179.5	176.7	0	0	0	0	111.3	E781 G785 M786 L787	E781-C783 HydrophobicContact CG-CB 4.41Å; E781-C783 WeakPolarHBondContact OE1-CB 3.18Å; E781-C783 PolarHBondContact OE1-N 3.36Å; C783-G785 VanDerWaalsContact C-N 3.33Å; C783-G785 PolarHBondContact O-N 3.32Å; C783-M786 HydrophobicContact CB-CB 4Å; C783-M786 HydrophobicContact CB-CG 4.01Å; C783-M786 PolarHBondContact O-N 3.09Å; C783-M786 VanDerWaalsContact O-N 3.13Å; C783-L787 PolarHBondContact O-N 3.49Å
784	P	85.4	Confident	90.1	Very high	27 Å²	27	28.3 Å²	28.3	18%	0.175	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-39.2	-176.2	-23.9	31.7	0	0	0	113.9	T782 L787 S788 Y825 L836 E837 A840	T782-P784 WeakPolarHBondContact O-CD 3.43Å; P784-L787 PolarHBondContact O-N 3.4Å; P784-S788 PolarHBondContact O-N 2.9Å; P784-Y825 VanDerWaalsContact CA-OH 3.25Å; P784-Y825 WeakPolarHBondContact CA-OH 3.3Å; P784-Y825 HydrophobicContact CB-CE1 4.31Å; P784-Y825 HydrophobicContact CG-CE1 4.38Å; P784-Y825 VanDerWaalsContact CG-OH 3.3Å; P784-Y825 WeakPolarHBondContact CG-OH 3.44Å; P784-L836 HydrophobicContact CB-CB 3.92Å; P784-L836 WeakPolarHBondContact CB-O 3.41Å; P784-E837 HydrophobicContact CB-CG 4.43Å; P784-E837 HydrophobicContact CG-CG 3.84Å; P784-A840 HydrophobicContact CB-CB 3.74Å; P784-A840 WeakPolarHBondContact O-CB 3.45Å
785	G	85.1	Confident	90.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-37.2	177.5	0	0	0	0	0	113.5	M759 C783 S788 L789	M759-G785 VanDerWaalsContact CE-O 3.32Å; M759-G785 WeakPolarHBondContact CE-O 3.33Å; C783-G785 VanDerWaalsContact C-N 3.33Å; C783-G785 PolarHBondContact O-N 3.32Å; G785-S788 PolarHBondContact O-N 2.92Å; G785-L789 PolarHBondContact O-N 3.05Å
786	M	88.5	Confident	89.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.9	-41.2	174.7	-73.3	-65.7	-58	0	0	110.9	F750 R758 M759 L762 E781 C783 S788 L789 M790	F750-M786 HydrophobicContact CZ-CE 4.36Å; R758-M786 HydrophobicContact CB-CE 3.88Å; R758-M786 HydrophobicContact CB-SD 3.83Å; M759-M786 HydrophobicContact CE-CG 4.02Å; M759-M786 HydrophobicContact CE-SD 3.8Å; M759-M786 HydrophobicContact CG-SD 3.48Å; M759-M786 WeakPolarHBondContact CG-SD 3.47Å; L762-M786 HydrophobicContact CD1-CE 3.73Å; E781-M786 VanDerWaalsContact CD-CB 3.48Å; E781-M786 HydrophobicContact CG-CB 3.53Å; E781-M786 WeakPolarHBondContact OE2-CB 3.35Å; C783-M786 HydrophobicContact CB-CB 4Å; C783-M786 HydrophobicContact CB-CG 4.01Å; C783-M786 PolarHBondContact O-N 3.09Å; C783-M786 VanDerWaalsContact O-N 3.13Å; M786-S788 PolarHBondContact O-N 3.17Å; M786-L789 WeakPolarHBondContact O-CB 3.44Å; M786-L789 PolarHBondContact O-N 3.31Å; M786-M790 VanDerWaalsContact O-CG 3.27Å; M786-M790 WeakPolarHBondContact O-CG 3.29Å; M786-M790 PolarHBondContact O-N 2.85Å
787	L	90.9	Very high	89.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-44.3	173.1	173	58.6	0	0	0	111.9	C783 P784 L789 M790 A791 M821 Y825 A840 L844	C783-L787 PolarHBondContact O-N 3.49Å; P784-L787 PolarHBondContact O-N 3.4Å; L787-L789 PolarHBondContact O-N 3.23Å; L787-M790 PolarHBondContact O-N 3.08Å; L787-A791 WeakPolarHBondContact O-CB 3.45Å; L787-A791 PolarHBondContact O-N 3.38Å; L787-M821 HydrophobicContact CD1-CB 4.28Å; L787-M821 HydrophobicContact CD1-CE 3.59Å; L787-M821 HydrophobicContact CD1-SD 3.81Å; L787-Y825 HydrophobicContact CD2-CD1 4.05Å; L787-Y825 HydrophobicContact CD2-CD2 3.44Å; L787-Y825 VanDerWaalsContact CD2-CD2 3.44Å; L787-Y825 HydrophobicContact CD2-CE1 3.91Å; L787-Y825 HydrophobicContact CD2-CE2 3.3Å; L787-Y825 HydrophobicContact CD2-CG 3.84Å; L787-A840 HydrophobicContact CB-CB 4.36Å; L787-A840 HydrophobicContact CD2-CB 4.04Å; L787-A840 HydrophobicContact CG-CB 4.24Å; L787-L844 HydrophobicContact CD1-CB 4.15Å; L787-L844 HydrophobicContact CD1-CD1 4.17Å; L787-L844 HydrophobicContact CD1-CD2 4.25Å; L787-L844 HydrophobicContact CD1-CG 4.41Å; L787-L844 HydrophobicContact CD2-CB 4.29Å; L787-L844 HydrophobicContact CD2-CD2 3.98Å; L787-L844 HydrophobicContact CG-CB 4.33Å
788	S	89.7	Confident	90	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-46.1	174.2	-177.3	0	0	0	0	111.3	P784 G785 M786 M790 A791 T792 S843	P784-S788 PolarHBondContact O-N 2.9Å; G785-S788 PolarHBondContact O-N 2.92Å; M786-S788 PolarHBondContact O-N 3.17Å; S788-M790 PolarHBondContact O-N 3.23Å; S788-A791 PolarHBondContact O-N 2.81Å; S788-T792 WeakPolarHBondContact O-CB 3.4Å; S788-T792 PolarHBondContact O-N 3.47Å; S788-T792 PolarHBondContact O-OG1 2.96Å; S788-T792 VanDerWaalsContact O-OG1 3.13Å; S788-S843 PolarHBondContact OG-OG 3.45Å; S788-S843 VanDerWaalsContact OG-OG 3.07Å
789	L	90.6	Very high	89.9	Confident	20 Å²	20	27.9 Å²	27.9	11%	0.105	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-47	174.5	-176.5	56	0	0	0	112.7	L551 M759 L762 G785 M786 L787 A791 S793	L551-L789 HydrophobicContact CD2-CB 3.65Å; L551-L789 HydrophobicContact CD2-CD1 3.99Å; L551-L789 HydrophobicContact CD2-CD2 4.23Å; L551-L789 HydrophobicContact CD2-CG 4.16Å; M759-L789 HydrophobicContact CB-CD2 4.11Å; M759-L789 HydrophobicContact CG-CD2 3.82Å; L762-L789 HydrophobicContact CB-CD2 4.42Å; L762-L789 HydrophobicContact CD1-CD2 3.74Å; G785-L789 PolarHBondContact O-N 3.05Å; M786-L789 WeakPolarHBondContact O-CB 3.44Å; M786-L789 PolarHBondContact O-N 3.31Å; L787-L789 PolarHBondContact O-N 3.23Å; L789-A791 VanDerWaalsContact C-N 3.34Å; L789-A791 PolarHBondContact O-N 2.72Å; L789-S793 WeakPolarHBondContact O-CB 3.3Å; L789-S793 PolarHBondContact O-N 3.48Å; L789-S793 PolarHBondContact O-OG 3.08Å
790	M	93.6	Very high	90	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-43.9	179.2	-67.6	168.6	72.9	0	0	111.5	L775 C778 E781 M786 L787 S788 A794 L817 L818 M821	L775-M790 HydrophobicContact CD2-CB 4.33Å; L775-M790 HydrophobicContact CD2-CG 3.84Å; C778-M790 HydrophobicContact CB-CE 3.64Å; C778-M790 HydrophobicContact CB-CG 4.27Å; C778-M790 HydrophobicContact CB-SD 3.4Å; C778-M790 WeakPolarHBondContact CB-SD 3.19Å; C778-M790 VanDerWaalsContact O-CE 3.31Å; C778-M790 WeakPolarHBondContact O-CE 3.19Å; E781-M790 HydrophobicContact CB-SD 3.9Å; E781-M790 HydrophobicContact CG-SD 4.32Å; M786-M790 VanDerWaalsContact O-CG 3.27Å; M786-M790 WeakPolarHBondContact O-CG 3.29Å; M786-M790 PolarHBondContact O-N 2.85Å; L787-M790 PolarHBondContact O-N 3.08Å; S788-M790 PolarHBondContact O-N 3.23Å; M790-A794 WeakPolarHBondContact O-CB 3.37Å; M790-A794 PolarHBondContact O-N 3.43Å; M790-L817 HydrophobicContact CE-CD1 4.03Å; M790-L817 HydrophobicContact CE-CD2 4Å; M790-L817 HydrophobicContact CE-CG 3.88Å; M790-L818 HydrophobicContact CB-CD2 4.06Å; M790-L818 HydrophobicContact CE-CD2 4.47Å; M790-M821 HydrophobicContact CE-CE 3.6Å; M790-M821 HydrophobicContact CE-SD 4.3Å; M790-M821 HydrophobicContact SD-CE 4.16Å; M790-M821 HydrophobicContact SD-SD 4.39Å
791	A	93.7	Very high	90.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-70.5	-45.7	-178.7	0	0	0	0	0	112.5	L787 S788 L789 S793 A794 V795 S843 A847	L787-A791 WeakPolarHBondContact O-CB 3.45Å; L787-A791 PolarHBondContact O-N 3.38Å; S788-A791 PolarHBondContact O-N 2.81Å; L789-A791 VanDerWaalsContact C-N 3.34Å; L789-A791 PolarHBondContact O-N 2.72Å; A791-S793 VanDerWaalsContact C-N 3.34Å; A791-S793 PolarHBondContact O-N 3.47Å; A791-A794 WeakPolarHBondContact O-CB 3.31Å; A791-A794 PolarHBondContact O-N 3.45Å; A791-V795 WeakPolarHBondContact O-CG2 3.29Å; A791-V795 PolarHBondContact O-N 3.42Å; A791-V795 VanDerWaalsContact O-N 3.08Å; A791-S843 VanDerWaalsContact CB-C 3.5Å; A791-S843 WeakPolarHBondContact CB-O 3.32Å; A791-A847 HydrophobicContact CB-CB 3.78Å
792	T	91	Very high	90.4	Very high	64 Å²	64	17.9 Å²	17.9	39%	0.393	11%	0.106	S	C	.	.	H	α-helix	trans	-62	-42.3	173.2	-57.3	0	0	0	0	111.1	S788 A794 V795 E796	S788-T792 WeakPolarHBondContact O-CB 3.4Å; S788-T792 PolarHBondContact O-N 3.47Å; S788-T792 PolarHBondContact O-OG1 2.96Å; S788-T792 VanDerWaalsContact O-OG1 3.13Å; T792-A794 VanDerWaalsContact C-N 3.3Å; T792-A794 PolarHBondContact O-N 3.39Å; T792-V795 PolarHBondContact O-N 3.45Å; T792-V795 VanDerWaalsContact O-N 3.15Å; T792-E796 HydrophobicContact CG2-CG 4.4Å; T792-E796 PolarHBondContact O-N 2.76Å
793	S	91.9	Very high	90.5	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-59.5	-40.4	175.3	-61.7	0	0	0	0	112.2	Y771 L789 A791 E796 L797	Y771-S793 PolarHBondContact OH-OG 3.47Å; L789-S793 WeakPolarHBondContact O-CB 3.3Å; L789-S793 PolarHBondContact O-N 3.48Å; L789-S793 PolarHBondContact O-OG 3.08Å; A791-S793 VanDerWaalsContact C-N 3.34Å; A791-S793 PolarHBondContact O-N 3.47Å; S793-E796 PolarHBondContact O-N 3.28Å; S793-L797 VanDerWaalsContact O-CB 3.29Å; S793-L797 WeakPolarHBondContact O-CB 3.48Å; S793-L797 VanDerWaalsContact O-CG 3.29Å; S793-L797 WeakPolarHBondContact O-CG 2.88Å; S793-L797 PolarHBondContact O-N 3.03Å
794	A	94.9	Very high	90.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-44.2	175.7	0	0	0	0	0	111.4	M790 A791 T792 M798 F814 L818 A847	M790-A794 WeakPolarHBondContact O-CB 3.37Å; M790-A794 PolarHBondContact O-N 3.43Å; A791-A794 WeakPolarHBondContact O-CB 3.31Å; A791-A794 PolarHBondContact O-N 3.45Å; T792-A794 VanDerWaalsContact C-N 3.3Å; T792-A794 PolarHBondContact O-N 3.39Å; A794-M798 HydrophobicContact CB-CE 4.04Å; A794-M798 WeakPolarHBondContact O-CB 3.46Å; A794-M798 VanDerWaalsContact O-CE 3.26Å; A794-M798 WeakPolarHBondContact O-CE 3.32Å; A794-M798 VanDerWaalsContact O-CG 3.26Å; A794-M798 WeakPolarHBondContact O-CG 3.46Å; A794-M798 PolarHBondContact O-N 2.98Å; A794-F814 HydrophobicContact CB-CB 3.98Å; A794-F814 HydrophobicContact CB-CD1 3.5Å; A794-F814 VanDerWaalsContact CB-CD1 3.5Å; A794-F814 HydrophobicContact CB-CD2 3.85Å; A794-F814 HydrophobicContact CB-CE1 3.86Å; A794-F814 HydrophobicContact CB-CE2 4.16Å; A794-F814 HydrophobicContact CB-CG 3.51Å; A794-F814 HydrophobicContact CB-CZ 4.19Å; A794-L818 HydrophobicContact CB-CD1 3.9Å; A794-A847 HydrophobicContact CB-CB 4.5Å
795	V	92.8	Very high	91	Very high	25 Å²	25	19.5 Å²	19.5	15%	0.152	11%	0.111	C	C	.	.	H	α-helix	trans	-67.8	-38.5	178.4	170.4	0	0	0	0	112.6	A791 T792 G799 A847 E850 R954	A791-V795 WeakPolarHBondContact O-CG2 3.29Å; A791-V795 PolarHBondContact O-N 3.42Å; A791-V795 VanDerWaalsContact O-N 3.08Å; T792-V795 PolarHBondContact O-N 3.45Å; T792-V795 VanDerWaalsContact O-N 3.15Å; V795-G799 PolarHBondContact O-N 3.31Å; V795-A847 HydrophobicContact CG2-CB 3.83Å; V795-E850 HydrophobicContact CG2-CB 4.09Å; V795-E850 HydrophobicContact CG2-CG 4.21Å; V795-R954 VanDerWaalsContact CG1-NH1 3.35Å; V795-R954 PolarHBondContact O-NH1 2.86Å
796	E	89.9	Confident	91.4	Very high	56 Å²	56	19.7 Å²	19.7	26%	0.262	11%	0.112	S	C	.	.	H	α-helix	trans	-69.2	-47.5	174.5	-71.5	-165.7	112.3	0	0	112.4	T792 S793 G799 T800 R1027	T792-E796 HydrophobicContact CG2-CG 4.4Å; T792-E796 PolarHBondContact O-N 2.76Å; S793-E796 PolarHBondContact O-N 3.28Å; E796-G799 PolarHBondContact O-N 3.5Å; E796-T800 WeakPolarHBondContact O-CB 3.42Å; E796-T800 PolarHBondContact O-N 3.36Å; E796-T800 PolarHBondContact O-OG1 3Å; E796-R1027 IonicContact OE1-CZ 2.71Å; E796-R1027 VanDerWaalsContact OE1-CZ 3.23Å; E796-R1027 IonicContact OE1-NH1 3.75Å; E796-R1027 PolarHBondContact OE1-NH1 3.26Å; E796-R1027 IonicContact OE1-NH2 3.3Å; E796-R1027 PolarHBondContact OE1-NH2 3.03Å
797	L	93	Very high	91.6	Very high	20 Å²	20	21.3 Å²	21.3	11%	0.105	12%	0.119	C	C	.	.	H	α-helix	trans	-67.9	-37.6	179.8	-69.6	169.1	0	0	0	111.6	V768 Y771 L772 S793 T800 F801 F814 V1034	V768-L797 HydrophobicContact CG1-CD2 4.46Å; Y771-L797 HydrophobicContact CD1-CD1 4.29Å; Y771-L797 HydrophobicContact CE1-CD1 4.46Å; L772-L797 HydrophobicContact CD2-CD1 4.44Å; S793-L797 VanDerWaalsContact O-CB 3.29Å; S793-L797 WeakPolarHBondContact O-CB 3.48Å; S793-L797 VanDerWaalsContact O-CG 3.29Å; S793-L797 WeakPolarHBondContact O-CG 2.88Å; S793-L797 PolarHBondContact O-N 3.03Å; L797-T800 PolarHBondContact O-N 3.48Å; L797-F801 HydrophobicContact CB-CD2 4.41Å; L797-F801 HydrophobicContact CD2-CE2 4.1Å; L797-F801 WeakPolarHBondContact O-CB 3.39Å; L797-F801 WeakPolarHBondContact O-CD2 3.41Å; L797-F801 PolarHBondContact O-N 3.3Å; L797-F814 HydrophobicContact CB-CE2 4.1Å; L797-F814 HydrophobicContact CB-CZ 4.16Å; L797-F814 HydrophobicContact CD1-CZ 3.87Å; L797-V1034 HydrophobicContact CD2-CG1 3.91Å
798	M	93.6	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-41.4	171.6	-77.8	-171.9	-73.6	0	0	112.2	A794 F801 Q802 Y807 L810 R811 F814 E850 C851	A794-M798 HydrophobicContact CB-CE 4.04Å; A794-M798 WeakPolarHBondContact O-CB 3.46Å; A794-M798 VanDerWaalsContact O-CE 3.26Å; A794-M798 WeakPolarHBondContact O-CE 3.32Å; A794-M798 VanDerWaalsContact O-CG 3.26Å; A794-M798 WeakPolarHBondContact O-CG 3.46Å; A794-M798 PolarHBondContact O-N 2.98Å; M798-F801 PolarHBondContact O-N 3.39Å; M798-Q802 WeakPolarHBondContact O-CA 3.43Å; M798-Q802 WeakPolarHBondContact O-CB 3.39Å; M798-Q802 PolarHBondContact O-N 2.83Å; M798-Y807 HydrophobicContact CB-CE2 3.91Å; M798-Y807 HydrophobicContact CG-CE2 4.07Å; M798-Y807 WeakPolarHBondContact O-CE2 3.49Å; M798-L810 HydrophobicContact CG-CD2 4.48Å; M798-R811 HydrophobicContact SD-CB 4.19Å; M798-R811 HydrophobicContact SD-CG 4.09Å; M798-F814 HydrophobicContact CE-CB 4.37Å; M798-F814 HydrophobicContact CE-CD2 4.16Å; M798-F814 HydrophobicContact CG-CD2 3.9Å; M798-F814 HydrophobicContact CG-CE2 4.24Å; M798-F814 HydrophobicContact SD-CD2 4.17Å; M798-E850 HydrophobicContact CB-CG 4.18Å; M798-E850 HydrophobicContact CE-CB 3.98Å; M798-E850 HydrophobicContact CE-CG 3.41Å; M798-E850 VanDerWaalsContact CE-CG 3.41Å; M798-E850 HydrophobicContact SD-CG 4.01Å; M798-C851 VanDerWaalsContact CE-SG 3.55Å
799	G	90.8	Very high	92	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-40.3	175.2	0	0	0	0	0	113.6	V795 E796 Q802	V795-G799 PolarHBondContact O-N 3.31Å; E796-G799 PolarHBondContact O-N 3.5Å; G799-Q802 WeakPolarHBondContact O-CG 3.35Å; G799-Q802 PolarHBondContact O-NE2 3.49Å
800	T	89.8	Confident	92.2	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-71.1	-39	178.4	-52.6	0	0	0	0	112.3	E796 L797 N1031 V1034	E796-T800 WeakPolarHBondContact O-CB 3.42Å; E796-T800 PolarHBondContact O-N 3.36Å; E796-T800 PolarHBondContact O-OG1 3Å; L797-T800 PolarHBondContact O-N 3.48Å; T800-N1031 HydrophobicContact CG2-CB 3.95Å; T800-N1031 WeakPolarHBondContact CG2-O 3.44Å; T800-V1034 HydrophobicContact CG2-CB 3.95Å; T800-V1034 HydrophobicContact CG2-CG1 3.68Å
801	F	92.1	Very high	92.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	11.7	-178.7	-69.3	-59.4	0	0	0	114	V768 L797 M798 F803 A804 M806 L810 V1034 L1035 H1038 V1041	V768-F801 HydrophobicContact CG1-CE2 4.16Å; V768-F801 HydrophobicContact CG1-CZ 4.33Å; L797-F801 HydrophobicContact CB-CD2 4.41Å; L797-F801 HydrophobicContact CD2-CE2 4.1Å; L797-F801 WeakPolarHBondContact O-CB 3.39Å; L797-F801 WeakPolarHBondContact O-CD2 3.41Å; L797-F801 PolarHBondContact O-N 3.3Å; M798-F801 PolarHBondContact O-N 3.39Å; F801-F803 PolarHBondContact O-N 3.02Å; F801-F803 VanDerWaalsContact O-N 3.14Å; F801-A804 HydrophobicContact CB-CB 4.38Å; F801-A804 HydrophobicContact CD1-CB 4.37Å; F801-A804 WeakPolarHBondContact O-CB 3.28Å; F801-A804 PolarHBondContact O-N 3.35Å; F801-M806 HydrophobicContact CB-CE 3.68Å; F801-M806 HydrophobicContact CD1-CE 3.29Å; F801-M806 HydrophobicContact CD2-CE 4.03Å; F801-M806 HydrophobicContact CE1-CE 3.73Å; F801-M806 HydrophobicContact CE2-CE 4.43Å; F801-M806 HydrophobicContact CG-CE 3.42Å; F801-M806 VanDerWaalsContact CG-CE 3.42Å; F801-M806 HydrophobicContact CZ-CE 4.29Å; F801-L810 HydrophobicContact CB-CD2 3.96Å; F801-L810 HydrophobicContact CD2-CD2 3.55Å; F801-L810 HydrophobicContact CE2-CD2 4.41Å; F801-L810 HydrophobicContact CG-CD2 4.15Å; F801-V1034 HydrophobicContact CD2-CG1 4.5Å; F801-V1034 HydrophobicContact CE1-CG1 4.19Å; F801-V1034 WeakPolarHBondContact CE1-O 3.4Å; F801-V1034 HydrophobicContact CE2-CG1 3.77Å; F801-V1034 HydrophobicContact CZ-CG1 3.61Å; F801-V1034 WeakPolarHBondContact CZ-O 3.25Å; F801-L1035 HydrophobicContact CD1-CD1 3.97Å; F801-H1038 HydrophobicContact CD1-CB 4.07Å; F801-H1038 HydrophobicContact CE1-CB 3.81Å; F801-V1041 HydrophobicContact CZ-CG2 4.41Å
802	Q	90.1	Very high	92.4	Very high	8 Å²	8	36 Å²	36	4%	0.037	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.5	-170.5	70.8	-179	-79.5	0	0	114.5	M798 G799 P953 V956	M798-Q802 WeakPolarHBondContact O-CA 3.43Å; M798-Q802 WeakPolarHBondContact O-CB 3.39Å; M798-Q802 PolarHBondContact O-N 2.83Å; G799-Q802 WeakPolarHBondContact O-CG 3.35Å; G799-Q802 PolarHBondContact O-NE2 3.49Å; Q802-P953 PolarHBondContact NE2-O 3.09Å; Q802-V956 HydrophobicContact CB-CG2 4.38Å; Q802-V956 HydrophobicContact CG-CG2 4.22Å
803	F	87.8	Confident	92.7	Very high	68 Å²	68	33.3 Å²	33.3	30%	0.298	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.3	178	-51.3	-77.6	0	0	0	113.6	F801 V956 H959 H995 M998	F801-F803 PolarHBondContact O-N 3.02Å; F801-F803 VanDerWaalsContact O-N 3.14Å; F803-V956 HydrophobicContact CD1-CG1 4.1Å; F803-V956 HydrophobicContact CD1-CG2 4.01Å; F803-V956 HydrophobicContact CE1-CB 4.17Å; F803-V956 HydrophobicContact CE1-CG1 3.89Å; F803-V956 HydrophobicContact CE1-CG2 4Å; F803-H959 HydrophobicContact CZ-CB 4.33Å; F803-H959 AromaticContact CZ-CD2 3.98Å; F803-H995 AromaticContact CD2-NE2 3.25Å; F803-H995 WeakPolarHBondContact CD2-NE2 3.19Å; F803-H995 AromaticContact CE2-NE2 3.62Å; F803-M998 HydrophobicContact CE2-SD 3.95Å; F803-M998 HydrophobicContact CZ-SD 3.98Å
804	A	90.7	Very high	92.9	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	16%	0.156	C	C	.	.	S	Bend	trans	-86.5	145.2	-168.6	0	0	0	0	0	113.3	F801 M806 Y807 L1035 H1038	F801-A804 HydrophobicContact CB-CB 4.38Å; F801-A804 HydrophobicContact CD1-CB 4.37Å; F801-A804 WeakPolarHBondContact O-CB 3.28Å; F801-A804 PolarHBondContact O-N 3.35Å; A804-M806 HydrophobicContact CB-CE 3.8Å; A804-M806 HydrophobicContact CB-SD 3.51Å; A804-M806 VanDerWaalsContact CB-SD 3.51Å; A804-M806 PolarHBondContact O-N 3.15Å; A804-Y807 WeakPolarHBondContact O-CB 3.39Å; A804-Y807 PolarHBondContact O-N 2.86Å; A804-L1035 HydrophobicContact CB-CD1 3.96Å; A804-H1038 HydrophobicContact CB-CB 4.12Å
805	P	91	Very high	93	Very high	115 Å²	115	36.6 Å²	36.6	75%	0.747	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.5	-171.3	-27.7	35.5	0	0	0	116.3
806	M	93.1	Very high	93.1	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.025	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4	177.7	81.7	-53.6	167.4	0	0	114	F801 A804 K808 R809 L810 H1038 L1045	F801-M806 HydrophobicContact CB-CE 3.68Å; F801-M806 HydrophobicContact CD1-CE 3.29Å; F801-M806 HydrophobicContact CD2-CE 4.03Å; F801-M806 HydrophobicContact CE1-CE 3.73Å; F801-M806 HydrophobicContact CE2-CE 4.43Å; F801-M806 HydrophobicContact CG-CE 3.42Å; F801-M806 VanDerWaalsContact CG-CE 3.42Å; F801-M806 HydrophobicContact CZ-CE 4.29Å; A804-M806 HydrophobicContact CB-CE 3.8Å; A804-M806 HydrophobicContact CB-SD 3.51Å; A804-M806 VanDerWaalsContact CB-SD 3.51Å; A804-M806 PolarHBondContact O-N 3.15Å; M806-K808 VanDerWaalsContact C-N 3.32Å; M806-K808 PolarHBondContact O-N 3.31Å; M806-R809 HydrophobicContact CB-CG 4.47Å; M806-R809 WeakPolarHBondContact O-CA 3.34Å; M806-R809 VanDerWaalsContact O-CB 3.25Å; M806-R809 WeakPolarHBondContact O-CB 3.34Å; M806-R809 PolarHBondContact O-N 2.66Å; M806-L810 PolarHBondContact O-N 2.99Å; M806-H1038 HydrophobicContact CE-CB 3.61Å; M806-H1038 HydrophobicContact SD-CB 3.77Å; M806-L1045 HydrophobicContact CG-CD1 4.28Å
807	Y	93.5	Very high	93.4	Very high	34 Å²	34	40.6 Å²	40.6	13%	0.133	18%	0.184	C	C	.	.	H	α-helix	trans	-51	-47.2	-178.9	178.2	-125.2	0	0	0	112.8	M798 A804 R809 L810 R811	M798-Y807 HydrophobicContact CB-CE2 3.91Å; M798-Y807 HydrophobicContact CG-CE2 4.07Å; M798-Y807 WeakPolarHBondContact O-CE2 3.49Å; A804-Y807 WeakPolarHBondContact O-CB 3.39Å; A804-Y807 PolarHBondContact O-N 2.86Å; Y807-R809 PolarHBondContact O-N 3Å; Y807-R809 VanDerWaalsContact O-N 3.08Å; Y807-L810 PolarHBondContact O-N 3.26Å; Y807-R811 VanDerWaalsContact O-CB 3.3Å; Y807-R811 WeakPolarHBondContact O-CB 2.97Å; Y807-R811 PolarHBondContact O-N 2.64Å
808	K	93.4	Very high	93.5	Very high	143 Å²	143	39.6 Å²	39.6	62%	0.622	18%	0.179	S	C	*	.	H	α-helix	trans	-60.9	-16.1	174.3	-68.2	-174.7	-180	-179.9	0	114.4	M806 R812	M806-K808 VanDerWaalsContact C-N 3.32Å; M806-K808 PolarHBondContact O-N 3.31Å; K808-R812 PolarHBondContact O-NE 2.93Å; K808-R812 PolarHBondContact O-NH2 3.23Å; K808-R812 VanDerWaalsContact O-NH2 3.13Å
809	R	94.7	Very high	93.5	Very high	53 Å²	53	42.3 Å²	42.3	20%	0.2	19%	0.19	C	C	.	.	H	α-helix	trans	-88.9	-48.8	173.5	-51.1	-179.6	-171.2	158	3.3	110	M806 Y807 R811 R812 F813 G1042 L1045 Q1046 F1050	M806-R809 HydrophobicContact CB-CG 4.47Å; M806-R809 WeakPolarHBondContact O-CA 3.34Å; M806-R809 VanDerWaalsContact O-CB 3.25Å; M806-R809 WeakPolarHBondContact O-CB 3.34Å; M806-R809 PolarHBondContact O-N 2.66Å; Y807-R809 PolarHBondContact O-N 3Å; Y807-R809 VanDerWaalsContact O-N 3.08Å; R809-R811 VanDerWaalsContact C-N 3.33Å; R809-R811 PolarHBondContact O-N 3.33Å; R809-R812 PolarHBondContact O-N 2.98Å; R809-R812 VanDerWaalsContact O-N 3.11Å; R809-F813 PolarHBondContact O-N 3.13Å; R809-G1042 PolarHBondContact NH1-O 2.55Å; R809-L1045 HydrophobicContact CB-CB 4.19Å; R809-L1045 HydrophobicContact CB-CD1 3.99Å; R809-Q1046 VanDerWaalsContact NH1-CG 3.31Å; R809-Q1046 VanDerWaalsContact NH1-OE1 3.14Å; R809-F1050 HydrophobicContact CB-CB 4.12Å; R809-F1050 VanDerWaalsContact CD-O 3.25Å; R809-F1050 WeakPolarHBondContact CD-O 3.45Å; R809-F1050 VanDerWaalsContact CG-O 3.28Å; R809-F1050 WeakPolarHBondContact CG-O 3.38Å
810	L	95.8	Very high	93.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-44.8	178.7	-176.4	68.2	0	0	0	111.7	L772 M798 F801 M806 Y807 R812 F813 F814 L1045	L772-L810 HydrophobicContact CD2-CD1 4.3Å; M798-L810 HydrophobicContact CG-CD2 4.48Å; F801-L810 HydrophobicContact CB-CD2 3.96Å; F801-L810 HydrophobicContact CD2-CD2 3.55Å; F801-L810 HydrophobicContact CE2-CD2 4.41Å; F801-L810 HydrophobicContact CG-CD2 4.15Å; M806-L810 PolarHBondContact O-N 2.99Å; Y807-L810 PolarHBondContact O-N 3.26Å; L810-R812 VanDerWaalsContact C-N 3.3Å; L810-R812 PolarHBondContact O-N 3.09Å; L810-F813 WeakPolarHBondContact O-CB 3.27Å; L810-F813 PolarHBondContact O-N 3.42Å; L810-F813 VanDerWaalsContact O-N 3.09Å; L810-F814 HydrophobicContact CD1-CD2 4.12Å; L810-F814 HydrophobicContact CD1-CE2 3.51Å; L810-F814 HydrophobicContact CD1-CZ 4.04Å; L810-F814 HydrophobicContact CD2-CE2 4.1Å; L810-F814 HydrophobicContact CG-CD2 3.95Å; L810-F814 HydrophobicContact CG-CE2 3.61Å; L810-F814 PolarHBondContact O-N 3.19Å; L810-L1045 HydrophobicContact CB-CD1 3.96Å; L810-L1045 HydrophobicContact CD1-CD1 4.23Å
811	R	95.3	Very high	93.7	Very high	64 Å²	64	44.4 Å²	44.4	24%	0.242	20%	0.203	C	C	.	.	H	α-helix	trans	-56.4	-39.1	175.1	-171.6	175.3	171.6	155.9	7.4	113.3	M798 Y807 R809 R815 E850 C851 G852 Y889	M798-R811 HydrophobicContact SD-CB 4.19Å; M798-R811 HydrophobicContact SD-CG 4.09Å; Y807-R811 VanDerWaalsContact O-CB 3.3Å; Y807-R811 WeakPolarHBondContact O-CB 2.97Å; Y807-R811 PolarHBondContact O-N 2.64Å; R809-R811 VanDerWaalsContact C-N 3.33Å; R809-R811 PolarHBondContact O-N 3.33Å; R811-R815 WeakPolarHBondContact O-CB 3.42Å; R811-R815 PolarHBondContact O-N 3.02Å; R811-R815 VanDerWaalsContact O-N 3.11Å; R811-E850 PolarHBondContact NH2-O 2.82Å; R811-C851 WeakPolarHBondContact CG-O 3.42Å; R811-C851 VanDerWaalsContact NE-C 3.31Å; R811-C851 PolarHBondContact NE-O 2.96Å; R811-C851 PolarHBondContact NH2-O 3.13Å; R811-G852 VanDerWaalsContact NH2-CA 3.28Å; R811-Y889 PolarHBondContact NH2-OH 3.29Å
812	R	95.6	Very high	93.6	Very high	81 Å²	81	45.3 Å²	45.3	31%	0.306	21%	0.207	S	C	.	.	H	α-helix	trans	-77.4	-29.9	175.4	-78.3	178.7	-68.3	146.9	4.1	113.2	K808 R809 L810 K816 F1050 K1051	K808-R812 PolarHBondContact O-NE 2.93Å; K808-R812 PolarHBondContact O-NH2 3.23Å; K808-R812 VanDerWaalsContact O-NH2 3.13Å; R809-R812 PolarHBondContact O-N 2.98Å; R809-R812 VanDerWaalsContact O-N 3.11Å; L810-R812 VanDerWaalsContact C-N 3.3Å; L810-R812 PolarHBondContact O-N 3.09Å; R812-K816 WeakPolarHBondContact O-CB 3.12Å; R812-K816 PolarHBondContact O-N 2.64Å; R812-F1050 HydrophobicContact CB-CD1 3.96Å; R812-F1050 HydrophobicContact CB-CE1 4.31Å; R812-K1051 VanDerWaalsContact CZ-O 3.3Å; R812-K1051 PolarHBondContact NH1-O 2.83Å; R812-K1051 PolarHBondContact NH2-O 2.8Å
813	F	96.6	Very high	93.4	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-51.9	171.4	166.3	-93.8	0	0	0	110.8	L772 E776 R809 L810 R815 K816 L817 W1044 L1045 F1050	L772-F813 HydrophobicContact CD2-CD1 4.2Å; L772-F813 HydrophobicContact CD2-CE1 3.61Å; L772-F813 HydrophobicContact CD2-CZ 4.31Å; E776-F813 HydrophobicContact CB-CE2 4.48Å; E776-F813 HydrophobicContact CB-CZ 4.36Å; R809-F813 PolarHBondContact O-N 3.13Å; L810-F813 WeakPolarHBondContact O-CB 3.27Å; L810-F813 PolarHBondContact O-N 3.42Å; L810-F813 VanDerWaalsContact O-N 3.09Å; F813-R815 PolarHBondContact O-N 3.04Å; F813-K816 PolarHBondContact O-N 3Å; F813-L817 HydrophobicContact CE1-CD2 4.1Å; F813-L817 HydrophobicContact CZ-CD2 4.07Å; F813-L817 WeakPolarHBondContact O-CB 3.34Å; F813-L817 PolarHBondContact O-N 2.8Å; F813-W1044 HydrophobicContact CD2-CH2 4.35Å; F813-W1044 HydrophobicContact CD2-CZ3 4.11Å; F813-W1044 AromaticContact CE2-CH2 3.66Å; F813-W1044 HydrophobicContact CE2-CH2 3.66Å; F813-W1044 AromaticContact CE2-CZ3 3.85Å; F813-W1044 HydrophobicContact CE2-CZ3 3.85Å; F813-W1044 AromaticContact CZ-CH2 3.96Å; F813-W1044 HydrophobicContact CZ-CH2 3.96Å; F813-W1044 HydrophobicContact CZ-CZ3 4.19Å; F813-L1045 HydrophobicContact CB-CD2 3.56Å; F813-L1045 HydrophobicContact CD2-CD2 4.2Å; F813-L1045 HydrophobicContact CG-CD2 3.87Å; F813-F1050 HydrophobicContact CB-CD1 4.47Å; F813-F1050 HydrophobicContact CB-CD2 4.37Å; F813-F1050 HydrophobicContact CB-CE1 4.14Å; F813-F1050 HydrophobicContact CB-CE2 4.03Å; F813-F1050 HydrophobicContact CB-CZ 3.9Å; F813-F1050 AromaticContact CD2-CE2 3.78Å; F813-F1050 HydrophobicContact CD2-CE2 3.78Å; F813-F1050 AromaticContact CD2-CZ 3.98Å; F813-F1050 HydrophobicContact CD2-CZ 3.98Å; F813-F1050 HydrophobicContact CG-CE2 4.41Å; F813-F1050 HydrophobicContact CG-CZ 4.44Å
814	F	97.1	Very high	93.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-38.9	177.5	-71.1	-53.3	0	0	0	112.6	L772 L775 A794 L797 M798 L810 K816 L817 L818	L772-F814 HydrophobicContact CD2-CE1 4.02Å; L772-F814 HydrophobicContact CD2-CZ 3.74Å; L775-F814 HydrophobicContact CD1-CE1 3.99Å; A794-F814 HydrophobicContact CB-CB 3.98Å; A794-F814 HydrophobicContact CB-CD1 3.5Å; A794-F814 VanDerWaalsContact CB-CD1 3.5Å; A794-F814 HydrophobicContact CB-CD2 3.85Å; A794-F814 HydrophobicContact CB-CE1 3.86Å; A794-F814 HydrophobicContact CB-CE2 4.16Å; A794-F814 HydrophobicContact CB-CG 3.51Å; A794-F814 HydrophobicContact CB-CZ 4.19Å; L797-F814 HydrophobicContact CB-CE2 4.1Å; L797-F814 HydrophobicContact CB-CZ 4.16Å; L797-F814 HydrophobicContact CD1-CZ 3.87Å; M798-F814 HydrophobicContact CE-CB 4.37Å; M798-F814 HydrophobicContact CE-CD2 4.16Å; M798-F814 HydrophobicContact CG-CD2 3.9Å; M798-F814 HydrophobicContact CG-CE2 4.24Å; M798-F814 HydrophobicContact SD-CD2 4.17Å; L810-F814 HydrophobicContact CD1-CD2 4.12Å; L810-F814 HydrophobicContact CD1-CE2 3.51Å; L810-F814 HydrophobicContact CD1-CZ 4.04Å; L810-F814 HydrophobicContact CD2-CE2 4.1Å; L810-F814 HydrophobicContact CG-CD2 3.95Å; L810-F814 HydrophobicContact CG-CE2 3.61Å; L810-F814 PolarHBondContact O-N 3.19Å; F814-K816 PolarHBondContact O-N 3.42Å; F814-L817 PolarHBondContact O-N 3.26Å; F814-L818 HydrophobicContact CB-CD1 4.47Å; F814-L818 VanDerWaalsContact O-CB 3.3Å; F814-L818 WeakPolarHBondContact O-CB 3.19Å; F814-L818 VanDerWaalsContact O-CG 3.31Å; F814-L818 WeakPolarHBondContact O-CG 3.44Å; F814-L818 PolarHBondContact O-N 3.41Å
815	R	96	Very high	92.7	Very high	74 Å²	74	51.5 Å²	51.5	28%	0.279	24%	0.24	S	C	.	.	H	α-helix	trans	-57.2	-47.8	172.2	-161.9	169.8	90.8	172.7	13.7	112	R811 F813 L817 Y819 C851 G852 D853 E854	R811-R815 WeakPolarHBondContact O-CB 3.42Å; R811-R815 PolarHBondContact O-N 3.02Å; R811-R815 VanDerWaalsContact O-N 3.11Å; F813-R815 PolarHBondContact O-N 3.04Å; R815-L817 VanDerWaalsContact C-N 3.35Å; R815-L817 PolarHBondContact O-N 3.21Å; R815-Y819 WeakPolarHBondContact O-CB 3.46Å; R815-Y819 PolarHBondContact O-N 3.39Å; R815-C851 HydrophobicContact CB-CB 4.02Å; R815-C851 HydrophobicContact CG-CB 4.32Å; R815-C851 PolarHBondContact N-SG 3.39Å; R815-G852 PolarHBondContact NH1-O 3.06Å; R815-D853 WeakPolarHBondContact CD-OD2 3.43Å; R815-D853 HydrophobicContact CG-CB 4.34Å; R815-D853 WeakPolarHBondContact CG-OD2 3.38Å; R815-D853 IonicContact NE-OD2 2.69Å; R815-E854 IonicContact CZ-OE1 3.51Å; R815-E854 VanDerWaalsContact CZ-OE1 3.26Å; R815-E854 IonicContact NH1-OE1 3.17Å; R815-E854 PolarHBondContact NH1-OE1 3.49Å; R815-E854 IonicContact NH2-OE1 2.81Å; R815-E854 PolarHBondContact NH2-OE1 3.27Å
816	K	95.2	Very high	92.4	Very high	149 Å²	149	47 Å²	47	65%	0.648	21%	0.214	S	C	*	.	H	α-helix	trans	-63.2	-38.8	178	-170	-165.9	174.5	-164.3	0	112.4	R812 F813 F814 P820 F1050	R812-K816 WeakPolarHBondContact O-CB 3.12Å; R812-K816 PolarHBondContact O-N 2.64Å; F813-K816 PolarHBondContact O-N 3Å; F814-K816 PolarHBondContact O-N 3.42Å; K816-P820 VanDerWaalsContact O-CD 3.23Å; K816-P820 WeakPolarHBondContact O-CD 3.3Å; K816-F1050 HydrophobicContact CB-CE1 4.33Å; K816-F1050 HydrophobicContact CB-CZ 4.35Å; K816-F1050 HydrophobicContact CD-CE1 4.29Å; K816-F1050 HydrophobicContact CD-CZ 3.86Å
817	L	95.4	Very high	91.9	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-72.5	-42.9	-178.8	-179.9	60.5	0	0	0	112.3	L775 A779 M790 F813 F814 R815	L775-L817 HydrophobicContact CB-CD2 4.05Å; A779-L817 HydrophobicContact CB-CD1 4.14Å; M790-L817 HydrophobicContact CE-CD1 4.03Å; M790-L817 HydrophobicContact CE-CD2 4Å; M790-L817 HydrophobicContact CE-CG 3.88Å; F813-L817 HydrophobicContact CE1-CD2 4.1Å; F813-L817 HydrophobicContact CZ-CD2 4.07Å; F813-L817 WeakPolarHBondContact O-CB 3.34Å; F813-L817 PolarHBondContact O-N 2.8Å; F814-L817 PolarHBondContact O-N 3.26Å; R815-L817 VanDerWaalsContact C-N 3.35Å; R815-L817 PolarHBondContact O-N 3.21Å
818	L	95.8	Very high	91.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-86.5	-36.7	-171.4	-64.7	178.5	0	0	0	113.5	M790 A794 F814 P820 M821 L844 A847 L848	M790-L818 HydrophobicContact CB-CD2 4.06Å; M790-L818 HydrophobicContact CE-CD2 4.47Å; A794-L818 HydrophobicContact CB-CD1 3.9Å; F814-L818 HydrophobicContact CB-CD1 4.47Å; F814-L818 VanDerWaalsContact O-CB 3.3Å; F814-L818 WeakPolarHBondContact O-CB 3.19Å; F814-L818 VanDerWaalsContact O-CG 3.31Å; F814-L818 WeakPolarHBondContact O-CG 3.44Å; F814-L818 PolarHBondContact O-N 3.41Å; L818-P820 VanDerWaalsContact C-CD 3.48Å; L818-M821 HydrophobicContact CD2-CE 3.71Å; L818-M821 PolarHBondContact O-N 3.28Å; L818-M821 VanDerWaalsContact O-N 3.15Å; L818-L844 HydrophobicContact CB-CD1 3.77Å; L818-L844 HydrophobicContact CD2-CD1 4.5Å; L818-A847 HydrophobicContact CD1-CB 3.6Å; L818-L848 HydrophobicContact CB-CD2 4.09Å
819	Y	93.9	Very high	89.7	Confident	57 Å²	57	49.7 Å²	49.7	22%	0.224	23%	0.229	C	C	.	.	H	α-helix	trans	-56.2	-40.4	-174.2	-174.6	-84.2	0	0	0	114.7	R815 M821 F822 H823 D853 I855	R815-Y819 WeakPolarHBondContact O-CB 3.46Å; R815-Y819 PolarHBondContact O-N 3.39Å; Y819-M821 PolarHBondContact O-N 3.34Å; Y819-M821 VanDerWaalsContact O-N 3.15Å; Y819-F822 VanDerWaalsContact O-CB 3.27Å; Y819-F822 WeakPolarHBondContact O-CB 3.11Å; Y819-F822 PolarHBondContact O-N 2.9Å; Y819-H823 AromaticContact CE1-NE2 3.57Å; Y819-D853 VanDerWaalsContact CD2-OD2 3.3Å; Y819-D853 WeakPolarHBondContact CD2-OD2 3.4Å; Y819-I855 HydrophobicContact CE2-CD1 4.19Å; Y819-I855 VanDerWaalsContact OH-CD1 3.29Å; Y819-I855 WeakPolarHBondContact OH-CD1 3.42Å
820	P	93.2	Very high	88.3	Confident	49 Å²	49	54.3 Å²	54.3	32%	0.318	25%	0.25	S	S	.	.	H	α-helix	trans	-55.7	-35.1	178.3	-27.8	36.5	0	0	0	113.9	K816 L818 F822 H823	K816-P820 VanDerWaalsContact O-CD 3.23Å; K816-P820 WeakPolarHBondContact O-CD 3.3Å; L818-P820 VanDerWaalsContact C-CD 3.48Å; P820-F822 VanDerWaalsContact C-N 3.26Å; P820-F822 PolarHBondContact O-N 3.32Å; P820-H823 WeakPolarHBondContact O-CB 3.38Å; P820-H823 PolarHBondContact O-CD2 3.19Å; P820-H823 PolarHBondContact O-N 3.02Å
821	M	91.2	Very high	86.4	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-74	-16.4	-179.3	-61.8	177.2	-70	0	0	112.8	E781 L787 M790 L818 Y819 H823 T824 Y825 L844	E781-M821 HydrophobicContact CB-SD 3.63Å; E781-M821 PolarHBondContact N-SD 2.9Å; E781-M821 VanDerWaalsContact N-SD 3.4Å; L787-M821 HydrophobicContact CD1-CB 4.28Å; L787-M821 HydrophobicContact CD1-CE 3.59Å; L787-M821 HydrophobicContact CD1-SD 3.81Å; M790-M821 HydrophobicContact CE-CE 3.6Å; M790-M821 HydrophobicContact CE-SD 4.3Å; M790-M821 HydrophobicContact SD-CE 4.16Å; M790-M821 HydrophobicContact SD-SD 4.39Å; L818-M821 HydrophobicContact CD2-CE 3.71Å; L818-M821 PolarHBondContact O-N 3.28Å; L818-M821 VanDerWaalsContact O-N 3.15Å; Y819-M821 PolarHBondContact O-N 3.34Å; Y819-M821 VanDerWaalsContact O-N 3.15Å; M821-H823 VanDerWaalsContact C-N 3.26Å; M821-H823 PolarHBondContact O-N 3.23Å; M821-T824 WeakPolarHBondContact O-CB 3.35Å; M821-T824 PolarHBondContact O-N 3.25Å; M821-Y825 PolarHBondContact O-N 2.92Å; M821-Y825 VanDerWaalsContact O-N 3.13Å; M821-L844 HydrophobicContact CB-CD2 4.29Å
822	F	89.5	Confident	84.4	Confident	19 Å²	19	63.2 Å²	63.2	8%	0.083	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-32.1	172.2	171.9	-108.5	0	0	0	111.9	Y819 P820 T824 Y825 G826 W827 L844 L845 L848	Y819-F822 VanDerWaalsContact O-CB 3.27Å; Y819-F822 WeakPolarHBondContact O-CB 3.11Å; Y819-F822 PolarHBondContact O-N 2.9Å; P820-F822 VanDerWaalsContact C-N 3.26Å; P820-F822 PolarHBondContact O-N 3.32Å; F822-T824 PolarHBondContact O-N 3.49Å; F822-Y825 PolarHBondContact O-N 3.26Å; F822-G826 WeakPolarHBondContact O-CA 3.32Å; F822-G826 PolarHBondContact O-N 3.15Å; F822-W827 HydrophobicContact CE1-CZ2 4.23Å; F822-W827 AromaticContact CE2-CD2 3.88Å; F822-W827 HydrophobicContact CE2-CD2 3.88Å; F822-W827 AromaticContact CE2-CE3 3.95Å; F822-W827 HydrophobicContact CE2-CE3 3.95Å; F822-W827 HydrophobicContact CE2-CG 4.4Å; F822-W827 HydrophobicContact CE2-CH2 4.18Å; F822-W827 HydrophobicContact CE2-CZ2 4.17Å; F822-W827 HydrophobicContact CE2-CZ3 4.1Å; F822-W827 AromaticContact CZ-CD2 3.66Å; F822-W827 HydrophobicContact CZ-CD2 3.66Å; F822-W827 AromaticContact CZ-CE2 3.37Å; F822-W827 HydrophobicContact CZ-CE3 4.16Å; F822-W827 HydrophobicContact CZ-CG 4.08Å; F822-W827 HydrophobicContact CZ-CH2 4.04Å; F822-W827 AromaticContact CZ-CZ2 3.58Å; F822-W827 HydrophobicContact CZ-CZ2 3.58Å; F822-W827 HydrophobicContact CZ-CZ3 4.33Å; F822-W827 AromaticContact CZ-NE1 3.69Å; F822-L844 HydrophobicContact CB-CD2 4.28Å; F822-L845 HydrophobicContact CD2-CD2 3.67Å; F822-L845 HydrophobicContact CE2-CD2 3.8Å; F822-L848 HydrophobicContact CB-CD1 4.16Å
823	H	85.8	Confident	82.5	Confident	131 Å²	131	70.1 Å²	70.1	61%	0.606	33%	0.331	S	S	*	.	H	α-helix	trans	-61.2	-29.6	172.1	-62.2	-60.6	0	0	0	112.9	Y819 P820 M821	Y819-H823 AromaticContact CE1-NE2 3.57Å; P820-H823 WeakPolarHBondContact O-CB 3.38Å; P820-H823 PolarHBondContact O-CD2 3.19Å; P820-H823 PolarHBondContact O-N 3.02Å; M821-H823 VanDerWaalsContact C-N 3.26Å; M821-H823 PolarHBondContact O-N 3.23Å
824	T	82.9	Confident	81.1	Confident	69 Å²	69	70.9 Å²	70.9	42%	0.423	34%	0.338	S	S	.	.	H	α-helix	trans	-80.6	-43.3	178	-56.6	0	0	0	0	112.2	M821 F822 K830	M821-T824 WeakPolarHBondContact O-CB 3.35Å; M821-T824 PolarHBondContact O-N 3.25Å; F822-T824 PolarHBondContact O-N 3.49Å; T824-K830 WeakPolarHBondContact O-CE 3.15Å; T824-K830 PolarHBondContact O-NZ 3.25Å
825	Y	82.9	Confident	79.9	Confident	14 Å²	14	73.2 Å²	73.2	6%	0.055	35%	0.347	C	S	.	.	H	α-helix	trans	-91.6	-27.6	-172.3	-78.8	-99.6	0	0	0	114.6	T782 P784 L787 M821 F822 E837 A840 R841	T782-Y825 PolarHBondContact O-OH 2.93Å; P784-Y825 VanDerWaalsContact CA-OH 3.25Å; P784-Y825 WeakPolarHBondContact CA-OH 3.3Å; P784-Y825 HydrophobicContact CB-CE1 4.31Å; P784-Y825 HydrophobicContact CG-CE1 4.38Å; P784-Y825 VanDerWaalsContact CG-OH 3.3Å; P784-Y825 WeakPolarHBondContact CG-OH 3.44Å; L787-Y825 HydrophobicContact CD2-CD1 4.05Å; L787-Y825 HydrophobicContact CD2-CD2 3.44Å; L787-Y825 VanDerWaalsContact CD2-CD2 3.44Å; L787-Y825 HydrophobicContact CD2-CE1 3.91Å; L787-Y825 HydrophobicContact CD2-CE2 3.3Å; L787-Y825 HydrophobicContact CD2-CG 3.84Å; M821-Y825 PolarHBondContact O-N 2.92Å; M821-Y825 VanDerWaalsContact O-N 3.13Å; F822-Y825 PolarHBondContact O-N 3.26Å; Y825-E837 HydrophobicContact CE1-CG 4.3Å; Y825-A840 HydrophobicContact CD1-CB 4.35Å; Y825-A840 HydrophobicContact CE1-CB 3.84Å; Y825-R841 HydrophobicContact CD1-CB 4.46Å; Y825-R841 PolarHBondContact O-NE 3.46Å; Y825-R841 VanDerWaalsContact O-NE 3.15Å
826	G	84.4	Confident	79	Confident	20 Å²	20	70 Å²	70	21%	0.206	34%	0.335	C	S	.	.			trans	61	-176.2	173.4	0	0	0	0	0	115.8	F822 R841	F822-G826 WeakPolarHBondContact O-CA 3.32Å; F822-G826 PolarHBondContact O-N 3.15Å; G826-R841 WeakPolarHBondContact O-CD 3.48Å
827	W	82.5	Confident	78.3	Confident	57 Å²	57	66.1 Å²	66.1	22%	0.216	32%	0.319	C	S	.	.	S	Bend	trans	-72.8	-39.7	174.4	-68	127.4	0	0	0	113.4	F822 L845 V856 F859	F822-W827 HydrophobicContact CE1-CZ2 4.23Å; F822-W827 AromaticContact CE2-CD2 3.88Å; F822-W827 HydrophobicContact CE2-CD2 3.88Å; F822-W827 AromaticContact CE2-CE3 3.95Å; F822-W827 HydrophobicContact CE2-CE3 3.95Å; F822-W827 HydrophobicContact CE2-CG 4.4Å; F822-W827 HydrophobicContact CE2-CH2 4.18Å; F822-W827 HydrophobicContact CE2-CZ2 4.17Å; F822-W827 HydrophobicContact CE2-CZ3 4.1Å; F822-W827 AromaticContact CZ-CD2 3.66Å; F822-W827 HydrophobicContact CZ-CD2 3.66Å; F822-W827 AromaticContact CZ-CE2 3.37Å; F822-W827 HydrophobicContact CZ-CE3 4.16Å; F822-W827 HydrophobicContact CZ-CG 4.08Å; F822-W827 HydrophobicContact CZ-CH2 4.04Å; F822-W827 AromaticContact CZ-CZ2 3.58Å; F822-W827 HydrophobicContact CZ-CZ2 3.58Å; F822-W827 HydrophobicContact CZ-CZ3 4.33Å; F822-W827 AromaticContact CZ-NE1 3.69Å; W827-L845 HydrophobicContact CE3-CD1 4.08Å; W827-L845 HydrophobicContact CE3-CD2 4.22Å; W827-L845 HydrophobicContact CH2-CD2 4.15Å; W827-L845 HydrophobicContact CZ3-CD1 3.97Å; W827-L845 HydrophobicContact CZ3-CD2 3.56Å; W827-L845 HydrophobicContact CZ3-CG 4.41Å; W827-V856 HydrophobicContact CH2-CB 4.18Å; W827-V856 HydrophobicContact CH2-CG1 4.03Å; W827-V856 HydrophobicContact CH2-CG2 3.98Å; W827-V856 HydrophobicContact CZ3-CG1 4.35Å; W827-F859 HydrophobicContact CB-CZ 4.32Å; W827-F859 AromaticContact CD2-CD1 3.76Å; W827-F859 HydrophobicContact CD2-CD1 3.76Å; W827-F859 HydrophobicContact CD2-CD2 4.16Å; W827-F859 AromaticContact CD2-CE1 3.59Å; W827-F859 HydrophobicContact CD2-CE1 3.59Å; W827-F859 HydrophobicContact CD2-CE2 4Å; W827-F859 HydrophobicContact CD2-CG 4.04Å; W827-F859 AromaticContact CD2-CZ 3.71Å; W827-F859 HydrophobicContact CD2-CZ 3.71Å; W827-F859 AromaticContact CE2-CD1 3.77Å; W827-F859 AromaticContact CE2-CD2 3.71Å; W827-F859 AromaticContact CE2-CE2 3.98Å; W827-F859 AromaticContact CE2-CG 3.59Å; W827-F859 AromaticContact CE3-CD1 3.51Å; W827-F859 HydrophobicContact CE3-CD1 3.51Å; W827-F859 AromaticContact CE3-CE1 3.36Å; W827-F859 HydrophobicContact CE3-CE1 3.36Å; W827-F859 HydrophobicContact CE3-CG 4.21Å; W827-F859 AromaticContact CE3-CZ 3.95Å; W827-F859 HydrophobicContact CE3-CZ 3.95Å; W827-F859 HydrophobicContact CG-CE1 4.23Å; W827-F859 HydrophobicContact CG-CE2 4.08Å; W827-F859 AromaticContact CG-CZ 3.88Å; W827-F859 HydrophobicContact CG-CZ 3.88Å; W827-F859 HydrophobicContact CH2-CB 3.77Å; W827-F859 AromaticContact CH2-CD1 3.45Å; W827-F859 HydrophobicContact CH2-CD1 3.45Å; W827-F859 VanDerWaalsContact CH2-CD1 3.45Å; W827-F859 HydrophobicContact CH2-CE1 4.2Å; W827-F859 AromaticContact CH2-CG 3.68Å; W827-F859 HydrophobicContact CH2-CG 3.68Å; W827-F859 HydrophobicContact CZ2-CB 3.53Å; W827-F859 AromaticContact CZ2-CD1 3.65Å; W827-F859 HydrophobicContact CZ2-CD1 3.65Å; W827-F859 AromaticContact CZ2-CD2 3.98Å; W827-F859 HydrophobicContact CZ2-CD2 3.98Å; W827-F859 HydrophobicContact CZ2-CE1 4.36Å; W827-F859 AromaticContact CZ2-CG 3.42Å; W827-F859 HydrophobicContact CZ2-CG 3.42Å; W827-F859 VanDerWaalsContact CZ2-CG 3.42Å; W827-F859 AromaticContact CZ3-CD1 3.35Å; W827-F859 HydrophobicContact CZ3-CD1 3.35Å; W827-F859 AromaticContact CZ3-CE1 3.69Å; W827-F859 HydrophobicContact CZ3-CE1 3.69Å; W827-F859 HydrophobicContact CZ3-CG 4.05Å; W827-F859 AromaticContact NE1-CD2 3.81Å; W827-F859 AromaticContact NE1-CE2 3.94Å
828	K	76.1	Confident	77.5	Confident	144 Å²	144	67.1 Å²	67.1	63%	0.626	32%	0.323	S	S	*	.	S	Bend	trans	-110.7	152.3	-170.6	-61.7	-173.7	177.9	-175.5	0	111.1	K830 I875	K828-K830 PolarHBondContact O-N 2.78Å; K828-I875 HydrophobicContact CD-CD1 4.48Å; K828-I875 HydrophobicContact CG-CD1 4.09Å
829	P	64.7	Low	76.7	Confident	39 Å²	39	68.8 Å²	68.8	25%	0.253	33%	0.333	S	S	.	.			trans	-54.5	132.5	165	-20.8	31.7	0	0	0	110.7	E488	E488-P829 WeakPolarHBondContact OE1-CG 3.45Å
830	K	64	Low	76.4	Confident	150 Å²	150	66 Å²	66	65%	0.652	32%	0.322	S	S	*	.	S	Bend	trans	-76.8	-43.2	171.5	-75.4	177.2	171.5	171.2	0	110.6	T824 K828	T824-K830 WeakPolarHBondContact O-CE 3.15Å; T824-K830 PolarHBondContact O-NZ 3.25Å; K828-K830 PolarHBondContact O-N 2.78Å
831	E	56.3	Low	76.2	Confident	155 Å²	155	63.9 Å²	63.9	72%	0.724	31%	0.308	S	S	*	.	S	Bend	trans	-134.1	163.2	167	-64.6	-168.4	-179.2	0	0	109.8
832	S	52.9	Low	76	Confident	97 Å²	97	66.5 Å²	66.5	68%	0.678	32%	0.319	S	S	*	.	S	Bend	trans	-91.2	4.7	-165.5	54.8	0	0	0	0	116.1
833	R	55.7	Low	76	Confident	225 Å²	225	66.3 Å²	66.3	85%	0.849	32%	0.32	S	S	*	.			trans	-110.1	-33.7	-159.2	-65.6	-171.9	178.8	-163.4	0.1	117.9	Y835	R833-Y835 PolarHBondContact O-N 3.02Å
834	S	67.9	Low	76.4	Confident	23 Å²	23	60.1 Å²	60.1	16%	0.161	29%	0.292	C	S	.	.			trans	-77.1	124.2	-178.6	175.3	0	0	0	0	110.9	E544 E837 K838	E544-S834 VanDerWaalsContact CD-OG 3.3Å; E544-S834 WeakPolarHBondContact OE1-CA 3.49Å; E544-S834 VanDerWaalsContact OE1-CB 3.24Å; E544-S834 WeakPolarHBondContact OE1-CB 3.32Å; E544-S834 PolarHBondContact OE1-OG 3.13Å; S834-E837 PolarHBondContact OG-N 2.89Å; S834-K838 PolarHBondContact O-N 3.34Å
835	Y	71.6	Confident	76.9	Confident	49 Å²	49	56.9 Å²	56.9	19%	0.192	27%	0.272	C	S	.	.	H	α-helix	trans	-72.9	-45.3	174.5	167.9	-107.6	0	0	0	110	T492 E495 E544 F548 R833 E837 K838 V839	T492-Y835 HydrophobicContact CG2-CD2 3.37Å; T492-Y835 HydrophobicContact CG2-CE2 4.01Å; T492-Y835 HydrophobicContact CG2-CG 4.11Å; E495-Y835 WeakPolarHBondContact OE1-CE2 3.32Å; E495-Y835 PolarHBondContact OE1-OH 3.16Å; E544-Y835 WeakPolarHBondContact OE2-CA 3.17Å; E544-Y835 WeakPolarHBondContact OE2-CB 3.31Å; E544-Y835 PolarHBondContact OE2-N 3.08Å; F548-Y835 AromaticContact CD2-CE1 3.75Å; F548-Y835 HydrophobicContact CD2-CE1 3.75Å; F548-Y835 AromaticContact CE2-CE1 3.86Å; F548-Y835 HydrophobicContact CE2-CE1 3.86Å; F548-Y835 WeakPolarHBondContact CE2-OH 3.47Å; R833-Y835 PolarHBondContact O-N 3.02Å; Y835-E837 VanDerWaalsContact C-N 3.3Å; Y835-E837 PolarHBondContact O-N 3.17Å; Y835-K838 WeakPolarHBondContact O-CA 3.35Å; Y835-K838 WeakPolarHBondContact O-CB 3.27Å; Y835-K838 PolarHBondContact O-N 2.55Å; Y835-V839 HydrophobicContact CD1-CG2 4.12Å; Y835-V839 HydrophobicContact CD2-CG2 4.11Å; Y835-V839 HydrophobicContact CE1-CG2 3.8Å; Y835-V839 HydrophobicContact CE2-CG2 3.85Å; Y835-V839 HydrophobicContact CG-CG2 4.3Å; Y835-V839 WeakPolarHBondContact O-CG2 3.41Å; Y835-V839 PolarHBondContact O-N 2.77Å
836	L	77.6	Confident	77.4	Confident	7 Å²	7	57.7 Å²	57.7	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-28.9	177.4	-83.3	-178.1	0	0	0	113	E544 V547 P784 V839 A840	E544-L836 HydrophobicContact CB-CB 4.27Å; E544-L836 HydrophobicContact CB-CD1 3.61Å; E544-L836 HydrophobicContact CB-CG 3.79Å; E544-L836 HydrophobicContact CG-CB 4.22Å; E544-L836 HydrophobicContact CG-CD1 4.09Å; E544-L836 HydrophobicContact CG-CG 4.28Å; E544-L836 PolarHBondContact OE2-N 3.03Å; V547-L836 HydrophobicContact CB-CD1 3.87Å; V547-L836 HydrophobicContact CG1-CD1 3.67Å; P784-L836 HydrophobicContact CB-CB 3.92Å; P784-L836 WeakPolarHBondContact CB-O 3.41Å; L836-V839 HydrophobicContact CD2-CB 4.36Å; L836-V839 HydrophobicContact CD2-CG1 4.5Å; L836-V839 PolarHBondContact O-N 2.93Å; L836-A840 WeakPolarHBondContact O-CB 2.84Å; L836-A840 PolarHBondContact O-N 2.87Å
837	E	81.2	Confident	77.9	Confident	67 Å²	67	56.7 Å²	56.7	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-37.7	169	-76.9	-173.2	-167.9	0	0	112.8	P784 Y825 S834 Y835 R841	P784-E837 HydrophobicContact CB-CG 4.43Å; P784-E837 HydrophobicContact CG-CG 3.84Å; Y825-E837 HydrophobicContact CE1-CG 4.3Å; S834-E837 PolarHBondContact OG-N 2.89Å; Y835-E837 VanDerWaalsContact C-N 3.3Å; Y835-E837 PolarHBondContact O-N 3.17Å; E837-R841 WeakPolarHBondContact O-CB 3.37Å; E837-R841 PolarHBondContact O-N 3.13Å
838	K	77.5	Confident	78.6	Confident	35 Å²	35	54 Å²	54	15%	0.152	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-55.3	171.6	-69.3	-178.3	173.9	-173.6	0	109.9	S487 S834 Y835 A840 R841 F842 Q877	S487-K838 PolarHBondContact O-NZ 3.13Å; S834-K838 PolarHBondContact O-N 3.34Å; Y835-K838 WeakPolarHBondContact O-CA 3.35Å; Y835-K838 WeakPolarHBondContact O-CB 3.27Å; Y835-K838 PolarHBondContact O-N 2.55Å; K838-A840 VanDerWaalsContact C-N 3.27Å; K838-A840 PolarHBondContact O-N 3.46Å; K838-R841 PolarHBondContact O-N 2.57Å; K838-F842 PolarHBondContact O-N 2.75Å; K838-Q877 PolarHBondContact O-NE2 3.47Å
839	V	80	Confident	79.5	Confident	35 Å²	35	47.3 Å²	47.3	21%	0.212	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-40.9	180	175.2	0	0	0	0	111.3	Y835 L836 S843	Y835-V839 HydrophobicContact CD1-CG2 4.12Å; Y835-V839 HydrophobicContact CD2-CG2 4.11Å; Y835-V839 HydrophobicContact CE1-CG2 3.8Å; Y835-V839 HydrophobicContact CE2-CG2 3.85Å; Y835-V839 HydrophobicContact CG-CG2 4.3Å; Y835-V839 WeakPolarHBondContact O-CG2 3.41Å; Y835-V839 PolarHBondContact O-N 2.77Å; L836-V839 HydrophobicContact CD2-CB 4.36Å; L836-V839 HydrophobicContact CD2-CG1 4.5Å; L836-V839 PolarHBondContact O-N 2.93Å; V839-S843 VanDerWaalsContact O-CB 3.24Å; V839-S843 WeakPolarHBondContact O-CB 3.34Å; V839-S843 PolarHBondContact O-N 3.31Å; V839-S843 PolarHBondContact O-OG 3.48Å
840	A	86.8	Confident	80.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-44.8	178	0	0	0	0	0	113	P784 L787 Y825 L836 K838 S843 L844	P784-A840 HydrophobicContact CB-CB 3.74Å; P784-A840 WeakPolarHBondContact O-CB 3.45Å; L787-A840 HydrophobicContact CB-CB 4.36Å; L787-A840 HydrophobicContact CD2-CB 4.04Å; L787-A840 HydrophobicContact CG-CB 4.24Å; Y825-A840 HydrophobicContact CD1-CB 4.35Å; Y825-A840 HydrophobicContact CE1-CB 3.84Å; L836-A840 WeakPolarHBondContact O-CB 2.84Å; L836-A840 PolarHBondContact O-N 2.87Å; K838-A840 VanDerWaalsContact C-N 3.27Å; K838-A840 PolarHBondContact O-N 3.46Å; A840-S843 PolarHBondContact O-N 2.77Å; A840-L844 WeakPolarHBondContact O-CB 3.45Å; A840-L844 PolarHBondContact O-N 3.32Å
841	R	88.6	Confident	82.4	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-47.3	174.5	-176.7	-173.1	-56.3	98.3	19.3	110.9	Y825 G826 E837 K838 L844 L845 Q877	Y825-R841 HydrophobicContact CD1-CB 4.46Å; Y825-R841 PolarHBondContact O-NE 3.46Å; Y825-R841 VanDerWaalsContact O-NE 3.15Å; G826-R841 WeakPolarHBondContact O-CD 3.48Å; E837-R841 WeakPolarHBondContact O-CB 3.37Å; E837-R841 PolarHBondContact O-N 3.13Å; K838-R841 PolarHBondContact O-N 2.57Å; R841-L844 PolarHBondContact O-N 3.04Å; R841-L845 HydrophobicContact CG-CD1 3.95Å; R841-L845 WeakPolarHBondContact O-CB 3.44Å; R841-L845 WeakPolarHBondContact O-CG 3.4Å; R841-L845 PolarHBondContact O-N 3.38Å; R841-Q877 VanDerWaalsContact NH1-OE1 3.08Å
842	F	87.1	Confident	84.2	Confident	57 Å²	57	31.8 Å²	31.8	25%	0.25	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-46.1	178	-178.4	-99.1	0	0	0	111.9	K838 S846 Q877 P880 L881	K838-F842 PolarHBondContact O-N 2.75Å; F842-S846 VanDerWaalsContact O-CB 3.26Å; F842-S846 WeakPolarHBondContact O-CB 3.37Å; F842-S846 PolarHBondContact O-N 3.33Å; F842-S846 PolarHBondContact O-OG 2.97Å; F842-Q877 VanDerWaalsContact CD2-O 3.23Å; F842-Q877 WeakPolarHBondContact CD2-O 3.43Å; F842-P880 HydrophobicContact CE2-CB 4.2Å; F842-P880 HydrophobicContact CZ-CB 4.33Å; F842-L881 HydrophobicContact CD2-CB 4.43Å; F842-L881 HydrophobicContact CE2-CB 4.01Å
843	S	90.5	Very high	86.2	Confident	15 Å²	15	27.5 Å²	27.5	11%	0.105	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-50.9	177	-57.5	0	0	0	0	111	S788 A791 V839 A840 S846 A847	S788-S843 PolarHBondContact OG-OG 3.45Å; S788-S843 VanDerWaalsContact OG-OG 3.07Å; A791-S843 VanDerWaalsContact CB-C 3.5Å; A791-S843 WeakPolarHBondContact CB-O 3.32Å; V839-S843 VanDerWaalsContact O-CB 3.24Å; V839-S843 WeakPolarHBondContact O-CB 3.34Å; V839-S843 PolarHBondContact O-N 3.31Å; V839-S843 PolarHBondContact O-OG 3.48Å; A840-S843 PolarHBondContact O-N 2.77Å; S843-S846 PolarHBondContact O-N 2.77Å; S843-A847 WeakPolarHBondContact O-CB 3.43Å; S843-A847 PolarHBondContact O-N 2.75Å
844	L	93.9	Very high	88.1	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-51.8	180	169	57.6	0	0	0	111.5	L787 L818 M821 F822 A840 R841 S846 A847 L848	L787-L844 HydrophobicContact CD1-CB 4.15Å; L787-L844 HydrophobicContact CD1-CD1 4.17Å; L787-L844 HydrophobicContact CD1-CD2 4.25Å; L787-L844 HydrophobicContact CD1-CG 4.41Å; L787-L844 HydrophobicContact CD2-CB 4.29Å; L787-L844 HydrophobicContact CD2-CD2 3.98Å; L787-L844 HydrophobicContact CG-CB 4.33Å; L818-L844 HydrophobicContact CB-CD1 3.77Å; L818-L844 HydrophobicContact CD2-CD1 4.5Å; M821-L844 HydrophobicContact CB-CD2 4.29Å; F822-L844 HydrophobicContact CB-CD2 4.28Å; A840-L844 WeakPolarHBondContact O-CB 3.45Å; A840-L844 PolarHBondContact O-N 3.32Å; R841-L844 PolarHBondContact O-N 3.04Å; L844-S846 VanDerWaalsContact C-N 3.35Å; L844-S846 PolarHBondContact O-N 3.38Å; L844-A847 PolarHBondContact O-N 3.02Å; L844-L848 HydrophobicContact CD1-CD1 3.83Å; L844-L848 HydrophobicContact CD1-CG 4.09Å; L844-L848 HydrophobicContact CG-CD1 4.15Å; L844-L848 WeakPolarHBondContact O-CG 3.34Å; L844-L848 PolarHBondContact O-N 2.99Å
845	L	93.2	Very high	89.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-40	-180	-69	176	0	0	0	111.5	F822 W827 R841 A847 L848 V849 V856 L878 L881	F822-L845 HydrophobicContact CD2-CD2 3.67Å; F822-L845 HydrophobicContact CE2-CD2 3.8Å; W827-L845 HydrophobicContact CE3-CD1 4.08Å; W827-L845 HydrophobicContact CE3-CD2 4.22Å; W827-L845 HydrophobicContact CH2-CD2 4.15Å; W827-L845 HydrophobicContact CZ3-CD1 3.97Å; W827-L845 HydrophobicContact CZ3-CD2 3.56Å; W827-L845 HydrophobicContact CZ3-CG 4.41Å; R841-L845 HydrophobicContact CG-CD1 3.95Å; R841-L845 WeakPolarHBondContact O-CB 3.44Å; R841-L845 WeakPolarHBondContact O-CG 3.4Å; R841-L845 PolarHBondContact O-N 3.38Å; L845-A847 VanDerWaalsContact C-N 3.32Å; L845-A847 PolarHBondContact O-N 3.38Å; L845-L848 HydrophobicContact CD2-CD1 4.5Å; L845-L848 PolarHBondContact O-N 2.97Å; L845-L848 VanDerWaalsContact O-N 3.12Å; L845-V849 WeakPolarHBondContact O-CG2 3.35Å; L845-V849 PolarHBondContact O-N 3.18Å; L845-V856 HydrophobicContact CD2-CG1 4.21Å; L845-V856 HydrophobicContact CD2-CG2 4.36Å; L845-L878 HydrophobicContact CD1-CD2 3.69Å; L845-L881 VanDerWaalsContact C-CD1 3.47Å; L845-L881 HydrophobicContact CB-CD1 3.88Å; L845-L881 HydrophobicContact CB-CD2 3.53Å; L845-L881 HydrophobicContact CB-CG 4.36Å; L845-L881 HydrophobicContact CD1-CD2 3.77Å; L845-L881 HydrophobicContact CG-CD2 4.26Å
846	S	92.6	Very high	90.3	Very high	31 Å²	31	24 Å²	24	22%	0.217	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-39.6	175.2	-59.5	0	0	0	0	111.9	F842 S843 L844 V849 E850	F842-S846 VanDerWaalsContact O-CB 3.26Å; F842-S846 WeakPolarHBondContact O-CB 3.37Å; F842-S846 PolarHBondContact O-N 3.33Å; F842-S846 PolarHBondContact O-OG 2.97Å; S843-S846 PolarHBondContact O-N 2.77Å; L844-S846 VanDerWaalsContact C-N 3.35Å; L844-S846 PolarHBondContact O-N 3.38Å; S846-V849 PolarHBondContact O-N 3.37Å; S846-E850 WeakPolarHBondContact O-CB 3.49Å; S846-E850 PolarHBondContact O-N 2.7Å
847	A	95.7	Very high	91.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.9	-31.2	174.3	0	0	0	0	0	112.8	A791 A794 V795 L818 S843 L844 L845 C851	A791-A847 HydrophobicContact CB-CB 3.78Å; A794-A847 HydrophobicContact CB-CB 4.5Å; V795-A847 HydrophobicContact CG2-CB 3.83Å; L818-A847 HydrophobicContact CD1-CB 3.6Å; S843-A847 WeakPolarHBondContact O-CB 3.43Å; S843-A847 PolarHBondContact O-N 2.75Å; L844-A847 PolarHBondContact O-N 3.02Å; L845-A847 VanDerWaalsContact C-N 3.32Å; L845-A847 PolarHBondContact O-N 3.38Å; A847-C851 WeakPolarHBondContact O-CB 3.12Å; A847-C851 PolarHBondContact O-N 2.88Å; A847-C851 PolarHBondContact O-SG 3.11Å
848	L	96.6	Very high	91.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72.9	-36.1	172.4	-70.6	171.4	0	0	0	112.2	L818 F822 L844 L845 C851 G852 D853 V856	L818-L848 HydrophobicContact CB-CD2 4.09Å; F822-L848 HydrophobicContact CB-CD1 4.16Å; L844-L848 HydrophobicContact CD1-CD1 3.83Å; L844-L848 HydrophobicContact CD1-CG 4.09Å; L844-L848 HydrophobicContact CG-CD1 4.15Å; L844-L848 WeakPolarHBondContact O-CG 3.34Å; L844-L848 PolarHBondContact O-N 2.99Å; L845-L848 HydrophobicContact CD2-CD1 4.5Å; L845-L848 PolarHBondContact O-N 2.97Å; L845-L848 VanDerWaalsContact O-N 3.12Å; L848-C851 CarbonylContact O-C 3.53Å; L848-C851 WeakPolarHBondContact O-CB 3.5Å; L848-C851 PolarHBondContact O-N 3.17Å; L848-G852 PolarHBondContact O-N 3.49Å; L848-D853 HydrophobicContact CB-CB 4.08Å; L848-D853 HydrophobicContact CD2-CB 4.24Å; L848-D853 PolarHBondContact O-N 2.9Å; L848-V856 HydrophobicContact CB-CB 4.39Å; L848-V856 HydrophobicContact CB-CG1 4.45Å; L848-V856 HydrophobicContact CB-CG2 3.92Å; L848-V856 HydrophobicContact CD1-CG2 4.03Å
849	V	94.8	Very high	92.7	Very high	3 Å²	3	27 Å²	27	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-44.6	169.9	169.7	0	0	0	0	110.8	L845 S846 C851 G852 V856 L881 A885 Y889	L845-V849 WeakPolarHBondContact O-CG2 3.35Å; L845-V849 PolarHBondContact O-N 3.18Å; S846-V849 PolarHBondContact O-N 3.37Å; V849-C851 VanDerWaalsContact C-N 3.34Å; V849-C851 PolarHBondContact O-N 2.99Å; V849-G852 PolarHBondContact O-N 2.87Å; V849-V856 HydrophobicContact CG2-CG1 3.68Å; V849-L881 HydrophobicContact CB-CD1 4.33Å; V849-L881 HydrophobicContact CG2-CD1 3.65Å; V849-L881 HydrophobicContact CG2-CG 4.44Å; V849-A885 HydrophobicContact CG1-CB 3.76Å; V849-A885 HydrophobicContact CG2-CB 3.83Å; V849-Y889 HydrophobicContact CG1-CE2 4.17Å; V849-Y889 WeakPolarHBondContact O-CE2 3.48Å; V849-Y889 PolarHBondContact O-OH 2.67Å
850	E	94.1	Very high	93.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-46.7	171	-177.4	68	-106.2	0	0	110.6	V795 M798 R811 S846 G852 R888 Y920	V795-E850 HydrophobicContact CG2-CB 4.09Å; V795-E850 HydrophobicContact CG2-CG 4.21Å; M798-E850 HydrophobicContact CB-CG 4.18Å; M798-E850 HydrophobicContact CE-CB 3.98Å; M798-E850 HydrophobicContact CE-CG 3.41Å; M798-E850 VanDerWaalsContact CE-CG 3.41Å; M798-E850 HydrophobicContact SD-CG 4.01Å; R811-E850 PolarHBondContact NH2-O 2.82Å; S846-E850 WeakPolarHBondContact O-CB 3.49Å; S846-E850 PolarHBondContact O-N 2.7Å; E850-G852 PolarHBondContact O-N 2.65Å; E850-G852 VanDerWaalsContact O-N 3.11Å; E850-R888 PolarHBondContact O-NH2 3.29Å; E850-R888 IonicContact OE1-CZ 2.75Å; E850-R888 IonicContact OE1-NH1 2.71Å; E850-R888 PolarHBondContact OE1-NH1 3.28Å; E850-R888 IonicContact OE1-NH2 3.99Å; E850-R888 PolarHBondContact OE1-NH2 2.85Å; E850-R888 IonicContact OE2-NH1 3.51Å; E850-R888 PolarHBondContact OE2-NH1 2.81Å; E850-Y920 PolarHBondContact OE2-OH 3.08Å
851	C	95.4	Very high	93.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-18.3	174.9	-73.2	0	0	0	0	114.2	M798 R811 R815 A847 L848 V849	M798-C851 VanDerWaalsContact CE-SG 3.55Å; R811-C851 WeakPolarHBondContact CG-O 3.42Å; R811-C851 VanDerWaalsContact NE-C 3.31Å; R811-C851 PolarHBondContact NE-O 2.96Å; R811-C851 PolarHBondContact NH2-O 3.13Å; R815-C851 HydrophobicContact CB-CB 4.02Å; R815-C851 HydrophobicContact CG-CB 4.32Å; R815-C851 PolarHBondContact N-SG 3.39Å; A847-C851 WeakPolarHBondContact O-CB 3.12Å; A847-C851 PolarHBondContact O-N 2.88Å; A847-C851 PolarHBondContact O-SG 3.11Å; L848-C851 CarbonylContact O-C 3.53Å; L848-C851 WeakPolarHBondContact O-CB 3.5Å; L848-C851 PolarHBondContact O-N 3.17Å; V849-C851 VanDerWaalsContact C-N 3.34Å; V849-C851 PolarHBondContact O-N 2.99Å
852	G	93.7	Very high	94.1	Very high	13 Å²	13	33.3 Å²	33.3	13%	0.134	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	58.1	-167.2	0	0	0	0	0	110.8	R811 R815 L848 V849 E850 E854 Y889	R811-G852 VanDerWaalsContact NH2-CA 3.28Å; R815-G852 PolarHBondContact NH1-O 3.06Å; L848-G852 PolarHBondContact O-N 3.49Å; V849-G852 PolarHBondContact O-N 2.87Å; E850-G852 PolarHBondContact O-N 2.65Å; E850-G852 VanDerWaalsContact O-N 3.11Å; G852-E854 PolarHBondContact O-N 3.34Å; G852-Y889 VanDerWaalsContact CA-OH 3.31Å; G852-Y889 WeakPolarHBondContact CA-OH 3.39Å; G852-Y889 PolarHBondContact N-OH 3.5Å
853	D	95.9	Very high	94.4	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.043	16%	0.162	C	C	.	.			trans	-73.3	120.3	163.4	-166.2	-88.2	0	0	0	110.4	R815 Y819 L848 I855 V856 V857	R815-D853 WeakPolarHBondContact CD-OD2 3.43Å; R815-D853 HydrophobicContact CG-CB 4.34Å; R815-D853 WeakPolarHBondContact CG-OD2 3.38Å; R815-D853 IonicContact NE-OD2 2.69Å; Y819-D853 VanDerWaalsContact CD2-OD2 3.3Å; Y819-D853 WeakPolarHBondContact CD2-OD2 3.4Å; L848-D853 HydrophobicContact CB-CB 4.08Å; L848-D853 HydrophobicContact CD2-CB 4.24Å; L848-D853 PolarHBondContact O-N 2.9Å; D853-I855 PolarHBondContact O-N 2.93Å; D853-I855 WeakPolarHBondContact OD1-CB 3.34Å; D853-I855 PolarHBondContact OD1-N 3.32Å; D853-I855 VanDerWaalsContact OD1-N 3.13Å; D853-V856 HydrophobicContact CB-CB 4.18Å; D853-V856 HydrophobicContact CB-CG2 4Å; D853-V856 PolarHBondContact O-N 2.83Å; D853-V856 PolarHBondContact OD1-N 2.85Å; D853-V857 WeakPolarHBondContact O-CG2 3.5Å; D853-V857 PolarHBondContact O-N 3.22Å
854	E	94.7	Very high	94.6	Very high	134 Å²	134	32 Å²	32	63%	0.626	16%	0.158	S	C	*	.	H	α-helix	trans	-62.6	-34.1	-171.7	-68	145.5	-115.4	0	0	111.4	R815 G852 Q858	R815-E854 IonicContact CZ-OE1 3.51Å; R815-E854 VanDerWaalsContact CZ-OE1 3.26Å; R815-E854 IonicContact NH1-OE1 3.17Å; R815-E854 PolarHBondContact NH1-OE1 3.49Å; R815-E854 IonicContact NH2-OE1 2.81Å; R815-E854 PolarHBondContact NH2-OE1 3.27Å; G852-E854 PolarHBondContact O-N 3.34Å; E854-Q858 WeakPolarHBondContact O-CB 3.5Å; E854-Q858 PolarHBondContact O-N 2.77Å
855	I	93.9	Very high	94.7	Very high	90 Å²	90	34.4 Å²	34.4	46%	0.462	17%	0.171	S	C	.	.	H	α-helix	trans	-73.7	-39.8	178.8	-64.3	166.4	0	0	0	110.2	Y819 D853 F859	Y819-I855 HydrophobicContact CE2-CD1 4.19Å; Y819-I855 VanDerWaalsContact OH-CD1 3.29Å; Y819-I855 WeakPolarHBondContact OH-CD1 3.42Å; D853-I855 PolarHBondContact O-N 2.93Å; D853-I855 WeakPolarHBondContact OD1-CB 3.34Å; D853-I855 PolarHBondContact OD1-N 3.32Å; D853-I855 VanDerWaalsContact OD1-N 3.13Å; I855-F859 WeakPolarHBondContact O-CB 3.38Å; I855-F859 PolarHBondContact O-N 2.92Å
856	V	93.4	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-72	-37.7	179.5	-176.3	0	0	0	0	112.5	W827 L845 L848 V849 D853 S860	W827-V856 HydrophobicContact CH2-CB 4.18Å; W827-V856 HydrophobicContact CH2-CG1 4.03Å; W827-V856 HydrophobicContact CH2-CG2 3.98Å; W827-V856 HydrophobicContact CZ3-CG1 4.35Å; L845-V856 HydrophobicContact CD2-CG1 4.21Å; L845-V856 HydrophobicContact CD2-CG2 4.36Å; L848-V856 HydrophobicContact CB-CB 4.39Å; L848-V856 HydrophobicContact CB-CG1 4.45Å; L848-V856 HydrophobicContact CB-CG2 3.92Å; L848-V856 HydrophobicContact CD1-CG2 4.03Å; V849-V856 HydrophobicContact CG2-CG1 3.68Å; D853-V856 HydrophobicContact CB-CB 4.18Å; D853-V856 HydrophobicContact CB-CG2 4Å; D853-V856 PolarHBondContact O-N 2.83Å; D853-V856 PolarHBondContact OD1-N 2.85Å; V856-S860 WeakPolarHBondContact O-CB 3.27Å; V856-S860 PolarHBondContact O-N 2.98Å; V856-S860 VanDerWaalsContact O-N 3.11Å; V856-S860 PolarHBondContact O-OG 3.12Å
857	V	95.3	Very high	94.9	Very high	30 Å²	30	35.9 Å²	35.9	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-44.7	174.3	175.3	0	0	0	0	110.8	D853 S860 R861 Y889	D853-V857 WeakPolarHBondContact O-CG2 3.5Å; D853-V857 PolarHBondContact O-N 3.22Å; V857-S860 WeakPolarHBondContact O-CB 3.31Å; V857-S860 PolarHBondContact O-N 2.92Å; V857-R861 PolarHBondContact O-N 3.11Å; V857-Y889 HydrophobicContact CB-CD2 4.27Å; V857-Y889 HydrophobicContact CG1-CD2 3.71Å; V857-Y889 HydrophobicContact CG1-CG 3.92Å; V857-Y889 HydrophobicContact CG2-CD2 3.45Å; V857-Y889 VanDerWaalsContact CG2-CD2 3.45Å; V857-Y889 HydrophobicContact CG2-CE2 3.42Å; V857-Y889 VanDerWaalsContact CG2-CE2 3.42Å; V857-Y889 HydrophobicContact CG2-CG 4.25Å
858	Q	96.1	Very high	94.8	Very high	99 Å²	99	38.2 Å²	38.2	46%	0.463	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-45.5	178.6	-179.3	58.7	26	0	0	112.4	E854 S860 R861 E862	E854-Q858 WeakPolarHBondContact O-CB 3.5Å; E854-Q858 PolarHBondContact O-N 2.77Å; Q858-S860 VanDerWaalsContact C-N 3.26Å; Q858-S860 PolarHBondContact O-N 3.33Å; Q858-R861 WeakPolarHBondContact O-CB 3.37Å; Q858-R861 PolarHBondContact O-N 3.19Å; Q858-E862 WeakPolarHBondContact CG-OE1 3.19Å; Q858-E862 PolarHBondContact NE2-OE1 2.92Å; Q858-E862 WeakPolarHBondContact O-CG 3.32Å; Q858-E862 PolarHBondContact O-N 3Å
859	F	93.7	Very high	94.7	Very high	41 Å²	41	44.2 Å²	44.2	18%	0.18	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-39.2	174.4	174.9	-95.8	0	0	0	112.1	W827 I855 E862 M863 L878 I882	W827-F859 HydrophobicContact CB-CZ 4.32Å; W827-F859 AromaticContact CD2-CD1 3.76Å; W827-F859 HydrophobicContact CD2-CD1 3.76Å; W827-F859 HydrophobicContact CD2-CD2 4.16Å; W827-F859 AromaticContact CD2-CE1 3.59Å; W827-F859 HydrophobicContact CD2-CE1 3.59Å; W827-F859 HydrophobicContact CD2-CE2 4Å; W827-F859 HydrophobicContact CD2-CG 4.04Å; W827-F859 AromaticContact CD2-CZ 3.71Å; W827-F859 HydrophobicContact CD2-CZ 3.71Å; W827-F859 AromaticContact CE2-CD1 3.77Å; W827-F859 AromaticContact CE2-CD2 3.71Å; W827-F859 AromaticContact CE2-CE2 3.98Å; W827-F859 AromaticContact CE2-CG 3.59Å; W827-F859 AromaticContact CE3-CD1 3.51Å; W827-F859 HydrophobicContact CE3-CD1 3.51Å; W827-F859 AromaticContact CE3-CE1 3.36Å; W827-F859 HydrophobicContact CE3-CE1 3.36Å; W827-F859 HydrophobicContact CE3-CG 4.21Å; W827-F859 AromaticContact CE3-CZ 3.95Å; W827-F859 HydrophobicContact CE3-CZ 3.95Å; W827-F859 HydrophobicContact CG-CE1 4.23Å; W827-F859 HydrophobicContact CG-CE2 4.08Å; W827-F859 AromaticContact CG-CZ 3.88Å; W827-F859 HydrophobicContact CG-CZ 3.88Å; W827-F859 HydrophobicContact CH2-CB 3.77Å; W827-F859 AromaticContact CH2-CD1 3.45Å; W827-F859 HydrophobicContact CH2-CD1 3.45Å; W827-F859 VanDerWaalsContact CH2-CD1 3.45Å; W827-F859 HydrophobicContact CH2-CE1 4.2Å; W827-F859 AromaticContact CH2-CG 3.68Å; W827-F859 HydrophobicContact CH2-CG 3.68Å; W827-F859 HydrophobicContact CZ2-CB 3.53Å; W827-F859 AromaticContact CZ2-CD1 3.65Å; W827-F859 HydrophobicContact CZ2-CD1 3.65Å; W827-F859 AromaticContact CZ2-CD2 3.98Å; W827-F859 HydrophobicContact CZ2-CD2 3.98Å; W827-F859 HydrophobicContact CZ2-CE1 4.36Å; W827-F859 AromaticContact CZ2-CG 3.42Å; W827-F859 HydrophobicContact CZ2-CG 3.42Å; W827-F859 VanDerWaalsContact CZ2-CG 3.42Å; W827-F859 AromaticContact CZ3-CD1 3.35Å; W827-F859 HydrophobicContact CZ3-CD1 3.35Å; W827-F859 AromaticContact CZ3-CE1 3.69Å; W827-F859 HydrophobicContact CZ3-CE1 3.69Å; W827-F859 HydrophobicContact CZ3-CG 4.05Å; W827-F859 AromaticContact NE1-CD2 3.81Å; W827-F859 AromaticContact NE1-CE2 3.94Å; I855-F859 WeakPolarHBondContact O-CB 3.38Å; I855-F859 PolarHBondContact O-N 2.92Å; F859-E862 PolarHBondContact O-N 2.99Å; F859-M863 HydrophobicContact CD1-CG 4.16Å; F859-M863 HydrophobicContact CD2-CG 4.36Å; F859-M863 HydrophobicContact CE1-CG 3.64Å; F859-M863 HydrophobicContact CE2-CG 3.87Å; F859-M863 HydrophobicContact CE2-SD 4.16Å; F859-M863 HydrophobicContact CG-CG 4.5Å; F859-M863 HydrophobicContact CZ-CG 3.49Å; F859-M863 VanDerWaalsContact CZ-CG 3.49Å; F859-M863 HydrophobicContact CZ-SD 3.93Å; F859-M863 WeakPolarHBondContact O-CB 3.22Å; F859-M863 WeakPolarHBondContact O-CG 3.43Å; F859-M863 PolarHBondContact O-N 3.08Å; F859-L878 HydrophobicContact CE1-CD1 4.42Å; F859-I882 HydrophobicContact CE1-CD1 4.48Å
860	S	94.4	Very high	94.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-43.1	177.1	-56.8	0	0	0	0	111.8	V856 V857 Q858 M863 F864 I882	V856-S860 WeakPolarHBondContact O-CB 3.27Å; V856-S860 PolarHBondContact O-N 2.98Å; V856-S860 VanDerWaalsContact O-N 3.11Å; V856-S860 PolarHBondContact O-OG 3.12Å; V857-S860 WeakPolarHBondContact O-CB 3.31Å; V857-S860 PolarHBondContact O-N 2.92Å; Q858-S860 VanDerWaalsContact C-N 3.26Å; Q858-S860 PolarHBondContact O-N 3.33Å; S860-M863 PolarHBondContact O-N 3.38Å; S860-F864 WeakPolarHBondContact O-CB 3.21Å; S860-F864 PolarHBondContact O-N 3.04Å; S860-I882 WeakPolarHBondContact O-CG2 3.37Å
861	R	95.7	Very high	94.3	Very high	68 Å²	68	60.9 Å²	60.9	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-47.2	173.2	171	63	97.2	-154.8	9.7	111.2	V857 Q858 F864 D865 D894	V857-R861 PolarHBondContact O-N 3.11Å; Q858-R861 WeakPolarHBondContact O-CB 3.37Å; Q858-R861 PolarHBondContact O-N 3.19Å; R861-F864 PolarHBondContact O-N 3.2Å; R861-D865 WeakPolarHBondContact CD-OD1 3.22Å; R861-D865 WeakPolarHBondContact O-CB 3.45Å; R861-D865 PolarHBondContact O-N 2.84Å; R861-D894 IonicContact CZ-OD1 2.92Å; R861-D894 IonicContact CZ-OD2 2.69Å; R861-D894 IonicContact NH1-OD1 3.81Å; R861-D894 PolarHBondContact NH1-OD1 3.34Å; R861-D894 IonicContact NH1-OD2 2.63Å; R861-D894 PolarHBondContact NH1-OD2 3.45Å; R861-D894 VanDerWaalsContact NH1-OD2 3.11Å; R861-D894 IonicContact NH2-OD1 3.17Å; R861-D894 IonicContact NH2-OD2 3.22Å; R861-D894 PolarHBondContact NH2-OD2 3.14Å
862	E	95.6	Very high	94	Very high	105 Å²	105	63.9 Å²	63.9	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-43.1	179.5	-72.9	169.4	-169.1	0	0	113	Q858 F859 A866	Q858-E862 WeakPolarHBondContact CG-OE1 3.19Å; Q858-E862 PolarHBondContact NE2-OE1 2.92Å; Q858-E862 WeakPolarHBondContact O-CG 3.32Å; Q858-E862 PolarHBondContact O-N 3Å; F859-E862 PolarHBondContact O-N 2.99Å; E862-A866 WeakPolarHBondContact O-CB 3.34Å; E862-A866 PolarHBondContact O-N 3.22Å
863	M	93	Very high	93.4	Very high	40 Å²	40	68.2 Å²	68.2	20%	0.197	33%	0.333	C	S	.	.	H	α-helix	trans	-67	-38.5	176.9	-73.8	-60.5	-51.8	0	0	112.7	F859 S860 F867 I882	F859-M863 HydrophobicContact CD1-CG 4.16Å; F859-M863 HydrophobicContact CD2-CG 4.36Å; F859-M863 HydrophobicContact CE1-CG 3.64Å; F859-M863 HydrophobicContact CE2-CG 3.87Å; F859-M863 HydrophobicContact CE2-SD 4.16Å; F859-M863 HydrophobicContact CG-CG 4.5Å; F859-M863 HydrophobicContact CZ-CG 3.49Å; F859-M863 VanDerWaalsContact CZ-CG 3.49Å; F859-M863 HydrophobicContact CZ-SD 3.93Å; F859-M863 WeakPolarHBondContact O-CB 3.22Å; F859-M863 WeakPolarHBondContact O-CG 3.43Å; F859-M863 PolarHBondContact O-N 3.08Å; S860-M863 PolarHBondContact O-N 3.38Å; M863-F867 WeakPolarHBondContact O-CB 3.29Å; M863-F867 PolarHBondContact O-N 3.15Å; M863-I882 HydrophobicContact CB-CD1 3.85Å; M863-I882 HydrophobicContact CB-CG2 4.38Å; M863-I882 HydrophobicContact CG-CD1 4.19Å
864	F	95.8	Very high	92.9	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.018	33%	0.334	C	S	.	.	H	α-helix	trans	-69.3	-43.2	175.4	-179.2	-108	0	0	0	112.2	S860 R861 A866 F867 V868 I882 L883 V886 T897 M898 L901	S860-F864 WeakPolarHBondContact O-CB 3.21Å; S860-F864 PolarHBondContact O-N 3.04Å; R861-F864 PolarHBondContact O-N 3.2Å; F864-A866 VanDerWaalsContact C-N 3.29Å; F864-A866 PolarHBondContact O-N 2.8Å; F864-F867 HydrophobicContact CD2-CD1 4.4Å; F864-F867 WeakPolarHBondContact O-CB 3.13Å; F864-F867 PolarHBondContact O-N 3.08Å; F864-V868 HydrophobicContact CD1-CG2 4.22Å; F864-V868 HydrophobicContact CD2-CG2 4.13Å; F864-V868 HydrophobicContact CE1-CG2 3.84Å; F864-V868 HydrophobicContact CE2-CG2 3.72Å; F864-V868 HydrophobicContact CG-CG2 4.37Å; F864-V868 HydrophobicContact CZ-CG2 3.59Å; F864-V868 WeakPolarHBondContact O-CG2 3.2Å; F864-V868 PolarHBondContact O-N 3.29Å; F864-I882 HydrophobicContact CB-CG2 4.02Å; F864-L883 HydrophobicContact CD2-CD2 3.79Å; F864-L883 HydrophobicContact CE2-CD2 3.77Å; F864-V886 HydrophobicContact CB-CG2 3.66Å; F864-V886 HydrophobicContact CD1-CB 4.43Å; F864-V886 HydrophobicContact CD1-CG1 3.87Å; F864-V886 HydrophobicContact CD1-CG2 3.89Å; F864-V886 HydrophobicContact CE1-CG1 3.88Å; F864-V886 HydrophobicContact CG-CG1 4.4Å; F864-V886 HydrophobicContact CG-CG2 3.81Å; F864-V886 HydrophobicContact CZ-CG1 4.45Å; F864-T897 HydrophobicContact CE1-CG2 4.31Å; F864-T897 HydrophobicContact CZ-CG2 3.87Å; F864-M898 HydrophobicContact CD2-CE 3.91Å; F864-M898 HydrophobicContact CE1-CE 4.19Å; F864-M898 HydrophobicContact CE2-CE 3.31Å; F864-M898 HydrophobicContact CE2-SD 3.56Å; F864-M898 VanDerWaalsContact CE2-SD 3.56Å; F864-M898 HydrophobicContact CZ-CE 3.46Å; F864-M898 VanDerWaalsContact CZ-CE 3.46Å; F864-M898 HydrophobicContact CZ-SD 3.74Å; F864-L901 HydrophobicContact CE2-CD1 3.87Å; F864-L901 HydrophobicContact CZ-CD1 4.16Å
865	D	95.9	Very high	92	Very high	51 Å²	51	65.1 Å²	65.1	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-57.1	-43.3	173.3	-94.1	38.5	0	0	0	111.4	R861 V868 K869	R861-D865 WeakPolarHBondContact CD-OD1 3.22Å; R861-D865 WeakPolarHBondContact O-CB 3.45Å; R861-D865 PolarHBondContact O-N 2.84Å; D865-V868 PolarHBondContact O-N 2.87Å; D865-K869 HydrophobicContact CB-CD 4.4Å; D865-K869 WeakPolarHBondContact O-CB 3.2Å; D865-K869 VanDerWaalsContact O-CG 3.27Å; D865-K869 WeakPolarHBondContact O-CG 3.43Å; D865-K869 PolarHBondContact O-N 3.31Å; D865-K869 IonicContact OD2-NZ 3.23Å; D865-K869 PolarHBondContact OD2-NZ 3.32Å
866	A	94.8	Very high	91.1	Very high	24 Å²	24	62.4 Å²	62.4	20%	0.198	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-37	177.2	0	0	0	0	0	112.9	E862 F864 Y870 Q871 V872	E862-A866 WeakPolarHBondContact O-CB 3.34Å; E862-A866 PolarHBondContact O-N 3.22Å; F864-A866 VanDerWaalsContact C-N 3.29Å; F864-A866 PolarHBondContact O-N 2.8Å; A866-Y870 CarbonylContact O-C 3.52Å; A866-Y870 WeakPolarHBondContact O-CA 3.23Å; A866-Y870 WeakPolarHBondContact O-CB 3.33Å; A866-Y870 PolarHBondContact O-N 3.36Å; A866-Q871 PolarHBondContact O-N 2.79Å; A866-V872 HydrophobicContact CB-CB 4.19Å; A866-V872 HydrophobicContact CB-CG2 4.43Å; A866-V872 PolarHBondContact O-N 2.87Å
867	F	94.1	Very high	90.2	Very high	39 Å²	39	62.8 Å²	62.8	17%	0.171	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-50.7	173.5	174.5	-117.7	0	0	0	111.8	M863 F864 Q871 V872 I874 L901	M863-F867 WeakPolarHBondContact O-CB 3.29Å; M863-F867 PolarHBondContact O-N 3.15Å; F864-F867 HydrophobicContact CD2-CD1 4.4Å; F864-F867 WeakPolarHBondContact O-CB 3.13Å; F864-F867 PolarHBondContact O-N 3.08Å; F867-Q871 WeakPolarHBondContact O-CA 3.31Å; F867-Q871 PolarHBondContact O-N 3.29Å; F867-V872 WeakPolarHBondContact CA-O 3.37Å; F867-V872 WeakPolarHBondContact CB-O 3.31Å; F867-V872 WeakPolarHBondContact CD2-O 3.48Å; F867-I874 HydrophobicContact CB-CD1 3.88Å; F867-I874 HydrophobicContact CB-CG1 3.81Å; F867-I874 HydrophobicContact CD1-CD1 3.94Å; F867-I874 HydrophobicContact CD2-CG1 4.34Å; F867-I874 HydrophobicContact CG-CD1 3.89Å; F867-I874 HydrophobicContact CG-CG1 4Å; F867-L901 HydrophobicContact CE1-CD1 4.07Å; F867-L901 HydrophobicContact CE1-CD2 4.17Å
868	V	94	Very high	89.7	Confident	49 Å²	49	61.6 Å²	61.6	30%	0.297	30%	0.304	S	S	.	.	H	α-helix	trans	-69.6	-38.7	-177.3	174.9	0	0	0	0	112.6	F864 D865 T897 L901	F864-V868 HydrophobicContact CD1-CG2 4.22Å; F864-V868 HydrophobicContact CD2-CG2 4.13Å; F864-V868 HydrophobicContact CE1-CG2 3.84Å; F864-V868 HydrophobicContact CE2-CG2 3.72Å; F864-V868 HydrophobicContact CG-CG2 4.37Å; F864-V868 HydrophobicContact CZ-CG2 3.59Å; F864-V868 WeakPolarHBondContact O-CG2 3.2Å; F864-V868 PolarHBondContact O-N 3.29Å; D865-V868 PolarHBondContact O-N 2.87Å; V868-T897 HydrophobicContact CG1-CG2 4.1Å; V868-T897 HydrophobicContact CG2-CG2 4.02Å; V868-L901 HydrophobicContact CG2-CD1 4.23Å
869	K	93.7	Very high	89.3	Confident	126 Å²	126	58 Å²	58	55%	0.548	29%	0.286	S	S	.	.	H	α-helix	trans	-90.1	-29.9	-173.6	-63.7	168.5	-179.2	173.1	0	113.9	D865	D865-K869 HydrophobicContact CB-CD 4.4Å; D865-K869 WeakPolarHBondContact O-CB 3.2Å; D865-K869 VanDerWaalsContact O-CG 3.27Å; D865-K869 WeakPolarHBondContact O-CG 3.43Å; D865-K869 PolarHBondContact O-N 3.31Å; D865-K869 IonicContact OD2-NZ 3.23Å; D865-K869 PolarHBondContact OD2-NZ 3.32Å
870	Y	93.2	Very high	89.1	Confident	180 Å²	180	57.1 Å²	57.1	71%	0.706	28%	0.284	S	S	*	.	H	α-helix	trans	-130.3	6	-171.2	-51.7	-59.5	0	0	0	114	A866 V872	A866-Y870 CarbonylContact O-C 3.52Å; A866-Y870 WeakPolarHBondContact O-CA 3.23Å; A866-Y870 WeakPolarHBondContact O-CB 3.33Å; A866-Y870 PolarHBondContact O-N 3.36Å; Y870-V872 PolarHBondContact O-N 2.9Å; Y870-V872 VanDerWaalsContact O-N 3.13Å
871	Q	88	Confident	88.9	Confident	174 Å²	174	57.3 Å²	57.3	81%	0.813	29%	0.285	S	S	*	.			trans	55.1	26.9	-177.7	-61.6	-177.5	-23.2	0	0	113.7	A866 F867 P873	A866-Q871 PolarHBondContact O-N 2.79Å; F867-Q871 WeakPolarHBondContact O-CA 3.31Å; F867-Q871 PolarHBondContact O-N 3.29Å; Q871-P873 WeakPolarHBondContact O-CD 3.47Å
872	V	88.5	Confident	88.8	Confident	66 Å²	66	54.1 Å²	54.1	40%	0.4	27%	0.273	S	S	.	.			trans	-69	115.9	174.3	175	0	0	0	0	108.2	A866 F867 Y870 I874	A866-V872 HydrophobicContact CB-CB 4.19Å; A866-V872 HydrophobicContact CB-CG2 4.43Å; A866-V872 PolarHBondContact O-N 2.87Å; F867-V872 WeakPolarHBondContact CA-O 3.37Å; F867-V872 WeakPolarHBondContact CB-O 3.31Å; F867-V872 WeakPolarHBondContact CD2-O 3.48Å; Y870-V872 PolarHBondContact O-N 2.9Å; Y870-V872 VanDerWaalsContact O-N 3.13Å; V872-I874 PolarHBondContact O-N 2.99Å
873	P	82.4	Confident	88.8	Confident	104 Å²	104	49.1 Å²	49.1	68%	0.675	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-66.6	128.1	-174.5	26.2	-33.9	0	0	0	110.8	Q871 I875	Q871-P873 WeakPolarHBondContact O-CD 3.47Å; P873-I875 PolarHBondContact O-N 3.32Å
874	I	83.8	Confident	88.8	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.067	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-68.5	128.4	169.2	-57.9	172.7	0	0	0	107.5	F867 V872 S876 L878 R879 I882	F867-I874 HydrophobicContact CB-CD1 3.88Å; F867-I874 HydrophobicContact CB-CG1 3.81Å; F867-I874 HydrophobicContact CD1-CD1 3.94Å; F867-I874 HydrophobicContact CD2-CG1 4.34Å; F867-I874 HydrophobicContact CG-CD1 3.89Å; F867-I874 HydrophobicContact CG-CG1 4Å; V872-I874 PolarHBondContact O-N 2.99Å; I874-S876 PolarHBondContact O-N 2.86Å; I874-L878 HydrophobicContact CG2-CB 4.49Å; I874-R879 HydrophobicContact CB-CB 4.41Å; I874-R879 HydrophobicContact CB-CG 4.25Å; I874-R879 HydrophobicContact CD1-CG 4.37Å; I874-R879 HydrophobicContact CG2-CB 4Å; I874-R879 HydrophobicContact CG2-CG 4.29Å; I874-I882 HydrophobicContact CD1-CG2 4Å; I874-I882 HydrophobicContact CG2-CD1 3.62Å
875	I	76.7	Confident	88.9	Confident	65 Å²	65	47.4 Å²	47.4	33%	0.333	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-63.7	127.5	175.1	-11.1	176.6	0	0	0	108.2	E488 K828 P873 Q877 L878 R879	E488-I875 WeakPolarHBondContact OE1-CG2 3.31Å; E488-I875 VanDerWaalsContact OE2-CB 3.27Å; E488-I875 WeakPolarHBondContact OE2-CB 3.18Å; E488-I875 WeakPolarHBondContact OE2-CG2 3.39Å; K828-I875 HydrophobicContact CD-CD1 4.48Å; K828-I875 HydrophobicContact CG-CD1 4.09Å; P873-I875 PolarHBondContact O-N 3.32Å; I875-Q877 VanDerWaalsContact C-N 3.28Å; I875-Q877 PolarHBondContact O-N 2.78Å; I875-Q877 VanDerWaalsContact O-N 3.13Å; I875-L878 PolarHBondContact O-N 2.86Å; I875-R879 PolarHBondContact O-N 3.13Å
876	S	74.4	Confident	88.9	Confident	33 Å²	33	45.2 Å²	45.2	23%	0.231	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-66.3	-32.8	-147.1	89.5	0	0	0	0	112.6	E488 D489 I874 L878 R879 P880	E488-S876 VanDerWaalsContact CB-OG 3.3Å; E488-S876 WeakPolarHBondContact CB-OG 3.38Å; E488-S876 PolarHBondContact N-OG 2.67Å; E488-S876 PolarHBondContact OE2-N 2.98Å; D489-S876 VanDerWaalsContact CG-C 3.45Å; D489-S876 PolarHBondContact N-OG 2.73Å; D489-S876 VanDerWaalsContact N-OG 3.13Å; D489-S876 VanDerWaalsContact OD1-C 3.3Å; D489-S876 WeakPolarHBondContact OD2-CA 3.35Å; D489-S876 WeakPolarHBondContact OD2-CB 3.06Å; D489-S876 PolarHBondContact OD2-OG 2.72Å; I874-S876 PolarHBondContact O-N 2.86Å; S876-L878 PolarHBondContact O-N 3.31Å; S876-R879 WeakPolarHBondContact O-CA 3.29Å; S876-R879 WeakPolarHBondContact O-CB 3.43Å; S876-R879 PolarHBondContact O-N 2.89Å; S876-P880 VanDerWaalsContact O-CD 3.29Å; S876-P880 WeakPolarHBondContact O-CD 3.24Å
877	Q	75.5	Confident	89.1	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.033	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-56.6	-29.7	176.9	-168.2	-159.9	-21.3	0	0	112.1	E488 D489 K838 R841 F842 I875	E488-Q877 HydrophobicContact CB-CB 3.74Å; E488-Q877 HydrophobicContact CG-CB 3.66Å; E488-Q877 WeakPolarHBondContact OE2-CB 3.26Å; E488-Q877 PolarHBondContact OE2-N 3.39Å; D489-Q877 VanDerWaalsContact OD1-CA 3.3Å; D489-Q877 WeakPolarHBondContact OD1-CA 3.32Å; D489-Q877 PolarHBondContact OD1-N 3.48Å; K838-Q877 PolarHBondContact O-NE2 3.47Å; R841-Q877 VanDerWaalsContact NH1-OE1 3.08Å; F842-Q877 VanDerWaalsContact CD2-O 3.23Å; F842-Q877 WeakPolarHBondContact CD2-O 3.43Å; I875-Q877 VanDerWaalsContact C-N 3.28Å; I875-Q877 PolarHBondContact O-N 2.78Å; I875-Q877 VanDerWaalsContact O-N 3.13Å
878	L	84.1	Confident	89.2	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-95.3	-7.3	178.6	-53.5	-174.1	0	0	0	112.5	L845 F859 I874 I875 S876 L881 I882	L845-L878 HydrophobicContact CD1-CD2 3.69Å; F859-L878 HydrophobicContact CE1-CD1 4.42Å; I874-L878 HydrophobicContact CG2-CB 4.49Å; I875-L878 PolarHBondContact O-N 2.86Å; S876-L878 PolarHBondContact O-N 3.31Å; L878-L881 HydrophobicContact CB-CD2 4.44Å; L878-L881 HydrophobicContact CD2-CD2 3.93Å; L878-L881 WeakPolarHBondContact O-CB 3.19Å; L878-L881 PolarHBondContact O-N 3.16Å; L878-I882 HydrophobicContact CB-CD1 3.63Å; L878-I882 HydrophobicContact CB-CG1 4.28Å; L878-I882 VanDerWaalsContact O-CB 3.22Å; L878-I882 WeakPolarHBondContact O-CB 3.3Å; L878-I882 WeakPolarHBondContact O-CD1 3.35Å; L878-I882 WeakPolarHBondContact O-CG1 3.35Å; L878-I882 PolarHBondContact O-N 2.92Å
879	R	88.2	Confident	89.3	Confident	25 Å²	25	44.9 Å²	44.9	9%	0.094	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-53.3	-178.4	-159	177.7	84.2	152.1	13.2	111.4	I874 I875 S876 L881 I882 L883 E908 N910 E913 Y914	I874-R879 HydrophobicContact CB-CB 4.41Å; I874-R879 HydrophobicContact CB-CG 4.25Å; I874-R879 HydrophobicContact CD1-CG 4.37Å; I874-R879 HydrophobicContact CG2-CB 4Å; I874-R879 HydrophobicContact CG2-CG 4.29Å; I875-R879 PolarHBondContact O-N 3.13Å; S876-R879 WeakPolarHBondContact O-CA 3.29Å; S876-R879 WeakPolarHBondContact O-CB 3.43Å; S876-R879 PolarHBondContact O-N 2.89Å; R879-L881 VanDerWaalsContact C-N 3.29Å; R879-L881 PolarHBondContact O-N 3.38Å; R879-I882 PolarHBondContact O-N 3.07Å; R879-L883 HydrophobicContact CG-CD1 3.98Å; R879-L883 HydrophobicContact CG-CG 4.27Å; R879-L883 WeakPolarHBondContact O-CG 3.06Å; R879-L883 PolarHBondContact O-N 3.27Å; R879-E908 IonicContact CZ-OE2 2.76Å; R879-E908 IonicContact NH1-OE1 3.64Å; R879-E908 IonicContact NH1-OE2 2.75Å; R879-E908 PolarHBondContact NH1-OE2 2.9Å; R879-E908 IonicContact NH2-OE2 2.74Å; R879-N910 PolarHBondContact NH2-O 3.01Å; R879-N910 VanDerWaalsContact NH2-O 3.11Å; R879-E913 IonicContact CZ-OE2 3.96Å; R879-E913 IonicContact NE-OE2 2.81Å; R879-E913 PolarHBondContact NE-OE2 3.36Å; R879-E913 IonicContact NH2-OE1 3.31Å; R879-E913 IonicContact NH2-OE2 3.79Å; R879-E913 PolarHBondContact NH2-OE2 2.8Å; R879-Y914 PolarHBondContact NH1-OH 2.84Å
880	P	88.5	Confident	89.4	Confident	22 Å²	22	39.8 Å²	39.8	14%	0.143	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-43.7	177.1	-22	31.9	0	0	0	112.3	F842 S876 C884 E913	F842-P880 HydrophobicContact CE2-CB 4.2Å; F842-P880 HydrophobicContact CZ-CB 4.33Å; S876-P880 VanDerWaalsContact O-CD 3.29Å; S876-P880 WeakPolarHBondContact O-CD 3.24Å; P880-C884 WeakPolarHBondContact O-CB 3.25Å; P880-C884 PolarHBondContact O-N 2.88Å; P880-C884 PolarHBondContact O-SG 2.93Å; P880-E913 HydrophobicContact CG-CG 4.3Å
881	L	90.5	Very high	89.5	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-50.5	177.1	169.2	79.6	0	0	0	112.6	F842 L845 V849 L878 R879 C884 A885	F842-L881 HydrophobicContact CD2-CB 4.43Å; F842-L881 HydrophobicContact CE2-CB 4.01Å; L845-L881 VanDerWaalsContact C-CD1 3.47Å; L845-L881 HydrophobicContact CB-CD1 3.88Å; L845-L881 HydrophobicContact CB-CD2 3.53Å; L845-L881 HydrophobicContact CB-CG 4.36Å; L845-L881 HydrophobicContact CD1-CD2 3.77Å; L845-L881 HydrophobicContact CG-CD2 4.26Å; V849-L881 HydrophobicContact CB-CD1 4.33Å; V849-L881 HydrophobicContact CG2-CD1 3.65Å; V849-L881 HydrophobicContact CG2-CG 4.44Å; L878-L881 HydrophobicContact CB-CD2 4.44Å; L878-L881 HydrophobicContact CD2-CD2 3.93Å; L878-L881 WeakPolarHBondContact O-CB 3.19Å; L878-L881 PolarHBondContact O-N 3.16Å; R879-L881 VanDerWaalsContact C-N 3.29Å; R879-L881 PolarHBondContact O-N 3.38Å; L881-C884 WeakPolarHBondContact O-CB 3.37Å; L881-C884 PolarHBondContact O-N 2.96Å; L881-A885 WeakPolarHBondContact O-CB 3.31Å; L881-A885 PolarHBondContact O-N 3.07Å
882	I	93.9	Very high	89.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-69.9	-44.7	-173.4	-75.9	165.9	0	0	0	110.3	F859 S860 M863 F864 I874 L878 R879 C884 A885 V886	F859-I882 HydrophobicContact CE1-CD1 4.48Å; S860-I882 WeakPolarHBondContact O-CG2 3.37Å; M863-I882 HydrophobicContact CB-CD1 3.85Å; M863-I882 HydrophobicContact CB-CG2 4.38Å; M863-I882 HydrophobicContact CG-CD1 4.19Å; F864-I882 HydrophobicContact CB-CG2 4.02Å; I874-I882 HydrophobicContact CD1-CG2 4Å; I874-I882 HydrophobicContact CG2-CD1 3.62Å; L878-I882 HydrophobicContact CB-CD1 3.63Å; L878-I882 HydrophobicContact CB-CG1 4.28Å; L878-I882 VanDerWaalsContact O-CB 3.22Å; L878-I882 WeakPolarHBondContact O-CB 3.3Å; L878-I882 WeakPolarHBondContact O-CD1 3.35Å; L878-I882 WeakPolarHBondContact O-CG1 3.35Å; L878-I882 PolarHBondContact O-N 2.92Å; R879-I882 PolarHBondContact O-N 3.07Å; I882-C884 VanDerWaalsContact C-N 3.32Å; I882-C884 PolarHBondContact O-N 3.49Å; I882-A885 PolarHBondContact O-N 3.33Å; I882-V886 WeakPolarHBondContact O-CG2 3.42Å; I882-V886 PolarHBondContact O-N 3.44Å
883	L	95.3	Very high	90.3	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-44.6	175.3	-56.5	174.3	0	0	0	110.3	F864 R879 A885 V886 C887 M898 E913 Y914 A917	F864-L883 HydrophobicContact CD2-CD2 3.79Å; F864-L883 HydrophobicContact CE2-CD2 3.77Å; R879-L883 HydrophobicContact CG-CD1 3.98Å; R879-L883 HydrophobicContact CG-CG 4.27Å; R879-L883 WeakPolarHBondContact O-CG 3.06Å; R879-L883 PolarHBondContact O-N 3.27Å; L883-A885 PolarHBondContact O-N 2.81Å; L883-V886 PolarHBondContact O-N 3.12Å; L883-C887 PolarHBondContact O-N 3.45Å; L883-M898 HydrophobicContact CB-CE 3.86Å; L883-M898 HydrophobicContact CB-SD 4.28Å; L883-M898 HydrophobicContact CD2-CE 3.65Å; L883-M898 HydrophobicContact CD2-SD 3.63Å; L883-M898 HydrophobicContact CG-CE 4.34Å; L883-M898 HydrophobicContact CG-SD 4.42Å; L883-E913 HydrophobicContact CD1-CB 4.21Å; L883-Y914 HydrophobicContact CD1-CD1 3.66Å; L883-Y914 HydrophobicContact CD1-CE1 3.74Å; L883-Y914 HydrophobicContact CD2-CD1 4.21Å; L883-Y914 HydrophobicContact CD2-CE1 4.03Å; L883-A917 HydrophobicContact CB-CB 3.57Å
884	C	94.4	Very high	91	Very high	7 Å²	7	26.8 Å²	26.8	5%	0.047	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-43.9	174.7	-79.9	0	0	0	0	113.6	P880 L881 I882 R888 Y920	P880-C884 WeakPolarHBondContact O-CB 3.25Å; P880-C884 PolarHBondContact O-N 2.88Å; P880-C884 PolarHBondContact O-SG 2.93Å; L881-C884 WeakPolarHBondContact O-CB 3.37Å; L881-C884 PolarHBondContact O-N 2.96Å; I882-C884 VanDerWaalsContact C-N 3.32Å; I882-C884 PolarHBondContact O-N 3.49Å; C884-R888 VanDerWaalsContact O-CB 3.24Å; C884-R888 WeakPolarHBondContact O-CB 3.32Å; C884-R888 PolarHBondContact O-N 2.94Å; C884-Y920 HydrophobicContact CB-CD1 3.52Å; C884-Y920 HydrophobicContact CB-CE1 3.84Å
885	A	96.6	Very high	91.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-40.5	178.6	0	0	0	0	0	111.8	V849 L881 I882 L883 Y889	V849-A885 HydrophobicContact CG1-CB 3.76Å; V849-A885 HydrophobicContact CG2-CB 3.83Å; L881-A885 WeakPolarHBondContact O-CB 3.31Å; L881-A885 PolarHBondContact O-N 3.07Å; I882-A885 PolarHBondContact O-N 3.33Å; L883-A885 PolarHBondContact O-N 2.81Å; A885-Y889 WeakPolarHBondContact O-CD2 3.22Å; A885-Y889 PolarHBondContact O-N 2.94Å
886	V	97.3	Very high	92.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-54.4	175.1	166	0	0	0	0	110.8	F864 I882 L883 R888 Y889 G890 D894 M898	F864-V886 HydrophobicContact CB-CG2 3.66Å; F864-V886 HydrophobicContact CD1-CB 4.43Å; F864-V886 HydrophobicContact CD1-CG1 3.87Å; F864-V886 HydrophobicContact CD1-CG2 3.89Å; F864-V886 HydrophobicContact CE1-CG1 3.88Å; F864-V886 HydrophobicContact CG-CG1 4.4Å; F864-V886 HydrophobicContact CG-CG2 3.81Å; F864-V886 HydrophobicContact CZ-CG1 4.45Å; I882-V886 WeakPolarHBondContact O-CG2 3.42Å; I882-V886 PolarHBondContact O-N 3.44Å; L883-V886 PolarHBondContact O-N 3.12Å; V886-R888 VanDerWaalsContact C-N 3.31Å; V886-R888 PolarHBondContact O-N 3.4Å; V886-Y889 PolarHBondContact O-N 2.94Å; V886-G890 WeakPolarHBondContact O-CA 3.47Å; V886-G890 PolarHBondContact O-N 3.43Å; V886-D894 HydrophobicContact CG1-CB 3.96Å; V886-M898 HydrophobicContact CB-CE 3.92Å; V886-M898 HydrophobicContact CG1-CE 3.71Å
887	C	97.1	Very high	93.6	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.02	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-29	-177.8	-70.1	0	0	0	0	114.4	L883 M898 A917 T921	L883-C887 PolarHBondContact O-N 3.45Å; C887-M898 VanDerWaalsContact SG-CG 3.51Å; C887-A917 WeakPolarHBondContact CB-O 3.49Å; C887-T921 VanDerWaalsContact O-CA 3.31Å; C887-T921 WeakPolarHBondContact O-CA 3.21Å; C887-T921 PolarHBondContact O-OG1 3.24Å
888	R	96.3	Very high	94.6	Very high	18 Å²	18	28.2 Å²	28.2	7%	0.068	16%	0.155	C	C	.	.	H	α-helix	trans	-71.4	-28.7	177.4	-180	177.8	170.3	117.3	-0.6	113.5	E850 C884 V886 Y920	E850-R888 PolarHBondContact O-NH2 3.29Å; E850-R888 IonicContact OE1-CZ 2.75Å; E850-R888 IonicContact OE1-NH1 2.71Å; E850-R888 PolarHBondContact OE1-NH1 3.28Å; E850-R888 IonicContact OE1-NH2 3.99Å; E850-R888 PolarHBondContact OE1-NH2 2.85Å; E850-R888 IonicContact OE2-NH1 3.51Å; E850-R888 PolarHBondContact OE2-NH1 2.81Å; C884-R888 VanDerWaalsContact O-CB 3.24Å; C884-R888 WeakPolarHBondContact O-CB 3.32Å; C884-R888 PolarHBondContact O-N 2.94Å; V886-R888 VanDerWaalsContact C-N 3.31Å; V886-R888 PolarHBondContact O-N 3.4Å; R888-Y920 HydrophobicContact CB-CD1 4.37Å; R888-Y920 HydrophobicContact CB-CD2 4.21Å; R888-Y920 HydrophobicContact CB-CE2 4.47Å; R888-Y920 HydrophobicContact CB-CG 4.14Å; R888-Y920 HydrophobicContact CG-CD2 4.27Å; R888-Y920 HydrophobicContact CG-CE2 4.18Å; R888-Y920 PolarHBondContact NH1-OH 3.22Å
889	Y	96.8	Very high	95.2	Very high	84 Å²	84	29.1 Å²	29.1	33%	0.329	16%	0.16	S	C	.	.	H	α-helix	trans	-123.3	-6.3	-172.5	-64.3	-65.6	0	0	0	115.1	R811 V849 G852 V857 A885 V886	R811-Y889 PolarHBondContact NH2-OH 3.29Å; V849-Y889 HydrophobicContact CG1-CE2 4.17Å; V849-Y889 WeakPolarHBondContact O-CE2 3.48Å; V849-Y889 PolarHBondContact O-OH 2.67Å; G852-Y889 VanDerWaalsContact CA-OH 3.31Å; G852-Y889 WeakPolarHBondContact CA-OH 3.39Å; G852-Y889 PolarHBondContact N-OH 3.5Å; V857-Y889 HydrophobicContact CB-CD2 4.27Å; V857-Y889 HydrophobicContact CG1-CD2 3.71Å; V857-Y889 HydrophobicContact CG1-CG 3.92Å; V857-Y889 HydrophobicContact CG2-CD2 3.45Å; V857-Y889 VanDerWaalsContact CG2-CD2 3.45Å; V857-Y889 HydrophobicContact CG2-CE2 3.42Å; V857-Y889 VanDerWaalsContact CG2-CE2 3.42Å; V857-Y889 HydrophobicContact CG2-CG 4.25Å; A885-Y889 WeakPolarHBondContact O-CD2 3.22Å; A885-Y889 PolarHBondContact O-N 2.94Å; V886-Y889 PolarHBondContact O-N 2.94Å
890	G	95.1	Very high	95.5	Very high	18 Å²	18	32.9 Å²	32.9	19%	0.186	17%	0.174	C	C	.	.	S	Bend	trans	-89.8	-159.5	176.8	0	0	0	0	0	114.1	V886 D894	V886-G890 WeakPolarHBondContact O-CA 3.47Å; V886-G890 PolarHBondContact O-N 3.43Å; G890-D894 WeakPolarHBondContact CA-OD2 3.34Å
891	D	95.8	Very high	95.8	Very high	84 Å²	84	32.3 Å²	32.3	45%	0.449	17%	0.17	S	C	.	.			trans	-120.2	-166.6	-174.4	63	43.6	0	0	0	113.6	A893 D894 A895	D891-A893 WeakPolarHBondContact OD1-CA 3.14Å; D891-A893 WeakPolarHBondContact OD1-CB 3.33Å; D891-A893 PolarHBondContact OD1-N 3.14Å; D891-D894 PolarHBondContact N-OD2 3.33Å; D891-D894 PolarHBondContact OD1-N 2.93Å; D891-A895 PolarHBondContact O-N 2.77Å
892	E	96.8	Very high	96	Very high	93 Å²	93	32.2 Å²	32.2	44%	0.435	17%	0.169	S	C	.	.	H	α-helix	trans	-69.4	-31.9	179.6	-57.1	-165.1	130.2	0	0	112.7	D894 A895 D896 I923 S925 V926	E892-D894 VanDerWaalsContact C-N 3.34Å; E892-A895 PolarHBondContact O-N 3.28Å; E892-D896 PolarHBondContact O-N 2.97Å; E892-I923 HydrophobicContact CG-CD1 4.07Å; E892-I923 HydrophobicContact CG-CG2 4.05Å; E892-S925 WeakPolarHBondContact OE1-CB 3.31Å; E892-S925 PolarHBondContact OE1-OG 2.83Å; E892-V926 HydrophobicContact CB-CG2 4.11Å; E892-V926 HydrophobicContact CG-CG2 3.79Å
893	A	96.8	Very high	96	Very high	60 Å²	60	37.5 Å²	37.5	50%	0.496	19%	0.192	S	C	.	.	H	α-helix	trans	-73.5	-28.4	179.6	0	0	0	0	0	112.1	D891 T897	D891-A893 WeakPolarHBondContact OD1-CA 3.14Å; D891-A893 WeakPolarHBondContact OD1-CB 3.33Å; D891-A893 PolarHBondContact OD1-N 3.14Å; A893-T897 VanDerWaalsContact O-CB 3.32Å; A893-T897 WeakPolarHBondContact O-CB 3.25Å; A893-T897 PolarHBondContact O-N 3.35Å; A893-T897 PolarHBondContact O-OG1 3.5Å
894	D	96.5	Very high	95.8	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-45.5	166.7	-73.7	-50.8	0	0	0	111.8	R861 V886 G890 D891 E892 T897 M898	R861-D894 IonicContact CZ-OD1 2.92Å; R861-D894 IonicContact CZ-OD2 2.69Å; R861-D894 IonicContact NH1-OD1 3.81Å; R861-D894 PolarHBondContact NH1-OD1 3.34Å; R861-D894 IonicContact NH1-OD2 2.63Å; R861-D894 PolarHBondContact NH1-OD2 3.45Å; R861-D894 VanDerWaalsContact NH1-OD2 3.11Å; R861-D894 IonicContact NH2-OD1 3.17Å; R861-D894 IonicContact NH2-OD2 3.22Å; R861-D894 PolarHBondContact NH2-OD2 3.14Å; V886-D894 HydrophobicContact CG1-CB 3.96Å; G890-D894 WeakPolarHBondContact CA-OD2 3.34Å; D891-D894 PolarHBondContact N-OD2 3.33Å; D891-D894 PolarHBondContact OD1-N 2.93Å; E892-D894 VanDerWaalsContact C-N 3.34Å; D894-T897 WeakPolarHBondContact O-CB 3.43Å; D894-T897 PolarHBondContact O-N 3.32Å; D894-M898 WeakPolarHBondContact O-CG 3.3Å; D894-M898 PolarHBondContact O-N 3.39Å
895	A	96.6	Very high	95.4	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-41.1	178.9	0	0	0	0	0	112.7	D891 E892 T897 M898 L899 I918 V926	D891-A895 PolarHBondContact O-N 2.77Å; E892-A895 PolarHBondContact O-N 3.28Å; A895-T897 VanDerWaalsContact C-N 3.27Å; A895-T897 PolarHBondContact O-N 2.93Å; A895-M898 PolarHBondContact O-N 2.86Å; A895-L899 WeakPolarHBondContact O-CB 3.49Å; A895-L899 PolarHBondContact O-N 3.06Å; A895-I918 HydrophobicContact CB-CG2 4.2Å; A895-V926 HydrophobicContact CB-CB 4.43Å; A895-V926 HydrophobicContact CB-CG1 3.39Å; A895-V926 HydrophobicContact CB-CG2 4.13Å
896	D	97.1	Very high	94.7	Very high	112 Å²	112	46.9 Å²	46.9	60%	0.599	24%	0.24	S	C	*	.	H	α-helix	trans	-61.6	-36.9	171.8	-82.3	-23.5	0	0	0	111.6	E892 L899 R900	E892-D896 PolarHBondContact O-N 2.97Å; D896-L899 PolarHBondContact O-N 3.39Å; D896-R900 WeakPolarHBondContact O-CB 3.44Å; D896-R900 PolarHBondContact O-N 2.82Å
897	T	97	Very high	93.5	Very high	33 Å²	33	53.7 Å²	53.7	20%	0.202	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-43.3	174.3	-62.2	0	0	0	0	111.4	F864 V868 A893 D894 A895 R900 L901	F864-T897 HydrophobicContact CE1-CG2 4.31Å; F864-T897 HydrophobicContact CZ-CG2 3.87Å; V868-T897 HydrophobicContact CG1-CG2 4.1Å; V868-T897 HydrophobicContact CG2-CG2 4.02Å; A893-T897 VanDerWaalsContact O-CB 3.32Å; A893-T897 WeakPolarHBondContact O-CB 3.25Å; A893-T897 PolarHBondContact O-N 3.35Å; A893-T897 PolarHBondContact O-OG1 3.5Å; D894-T897 WeakPolarHBondContact O-CB 3.43Å; D894-T897 PolarHBondContact O-N 3.32Å; A895-T897 VanDerWaalsContact C-N 3.27Å; A895-T897 PolarHBondContact O-N 2.93Å; T897-R900 PolarHBondContact O-N 3Å; T897-L901 HydrophobicContact CG2-CD1 4.26Å; T897-L901 VanDerWaalsContact O-CG 3.32Å; T897-L901 WeakPolarHBondContact O-CG 3.37Å; T897-L901 PolarHBondContact O-N 2.79Å
898	M	95.8	Very high	92.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-41	172.7	-65	-59.3	-178.1	0	0	112.4	F864 L883 V886 C887 D894 A895 R900 L901 Y902 Y914 I918	F864-M898 HydrophobicContact CD2-CE 3.91Å; F864-M898 HydrophobicContact CE1-CE 4.19Å; F864-M898 HydrophobicContact CE2-CE 3.31Å; F864-M898 HydrophobicContact CE2-SD 3.56Å; F864-M898 VanDerWaalsContact CE2-SD 3.56Å; F864-M898 HydrophobicContact CZ-CE 3.46Å; F864-M898 VanDerWaalsContact CZ-CE 3.46Å; F864-M898 HydrophobicContact CZ-SD 3.74Å; L883-M898 HydrophobicContact CB-CE 3.86Å; L883-M898 HydrophobicContact CB-SD 4.28Å; L883-M898 HydrophobicContact CD2-CE 3.65Å; L883-M898 HydrophobicContact CD2-SD 3.63Å; L883-M898 HydrophobicContact CG-CE 4.34Å; L883-M898 HydrophobicContact CG-SD 4.42Å; V886-M898 HydrophobicContact CB-CE 3.92Å; V886-M898 HydrophobicContact CG1-CE 3.71Å; C887-M898 VanDerWaalsContact SG-CG 3.51Å; D894-M898 WeakPolarHBondContact O-CG 3.3Å; D894-M898 PolarHBondContact O-N 3.39Å; A895-M898 PolarHBondContact O-N 2.86Å; M898-R900 VanDerWaalsContact C-N 3.29Å; M898-R900 PolarHBondContact O-N 3.16Å; M898-L901 PolarHBondContact O-N 2.95Å; M898-L901 HydrophobicContact SD-CD1 4.37Å; M898-Y902 PolarHBondContact O-N 3.17Å; M898-Y914 HydrophobicContact SD-CD1 4.07Å; M898-I918 HydrophobicContact CB-CD1 3.75Å; M898-I918 HydrophobicContact CB-CG1 3.47Å; M898-I918 VanDerWaalsContact CB-CG1 3.47Å; M898-I918 HydrophobicContact CG-CG1 4.18Å
899	L	96.3	Very high	90.8	Very high	24 Å²	24	61.3 Å²	61.3	13%	0.126	32%	0.322	C	S	.	.	H	α-helix	trans	-69.6	-30.3	-179.5	-174.2	59.5	0	0	0	111.6	A895 D896 Y902 K903 L915 I918 F933	A895-L899 WeakPolarHBondContact O-CB 3.49Å; A895-L899 PolarHBondContact O-N 3.06Å; D896-L899 PolarHBondContact O-N 3.39Å; L899-Y902 HydrophobicContact CD1-CD1 4.48Å; L899-K903 VanDerWaalsContact O-CD 3.32Å; L899-K903 WeakPolarHBondContact O-CD 3.4Å; L899-K903 VanDerWaalsContact O-CG 3.27Å; L899-K903 WeakPolarHBondContact O-CG 3.27Å; L899-K903 PolarHBondContact O-N 3.01Å; L899-L915 HydrophobicContact CD1-CD2 4.48Å; L899-I918 HydrophobicContact CB-CD1 3.93Å; L899-I918 HydrophobicContact CD1-CD1 4.36Å; L899-F933 HydrophobicContact CD1-CD1 3.84Å; L899-F933 HydrophobicContact CD1-CD2 4.48Å; L899-F933 HydrophobicContact CD1-CE1 3.71Å; L899-F933 HydrophobicContact CD1-CE2 4.37Å; L899-F933 HydrophobicContact CD1-CG 4.22Å; L899-F933 HydrophobicContact CD1-CZ 3.99Å
900	R	96.1	Very high	89.8	Confident	103 Å²	103	59.9 Å²	59.9	39%	0.389	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-49	167.5	-178.6	-179.9	65.1	79.4	5.7	111.2	D896 T897 M898 Y902 K903 E904	D896-R900 WeakPolarHBondContact O-CB 3.44Å; D896-R900 PolarHBondContact O-N 2.82Å; T897-R900 PolarHBondContact O-N 3Å; M898-R900 VanDerWaalsContact C-N 3.29Å; M898-R900 PolarHBondContact O-N 3.16Å; R900-Y902 VanDerWaalsContact C-N 3.28Å; R900-Y902 PolarHBondContact O-N 3.27Å; R900-K903 PolarHBondContact O-N 3.31Å; R900-E904 WeakPolarHBondContact CD-OE1 3.31Å; R900-E904 HydrophobicContact CG-CG 4.32Å; R900-E904 WeakPolarHBondContact CG-OE1 3.47Å; R900-E904 IonicContact CZ-OE1 3.2Å; R900-E904 IonicContact CZ-OE2 2.8Å; R900-E904 IonicContact NE-OE1 3.41Å; R900-E904 IonicContact NH1-OE1 2.77Å; R900-E904 PolarHBondContact NH1-OE1 2.83Å; R900-E904 IonicContact NH1-OE2 3.22Å; R900-E904 PolarHBondContact NH1-OE2 2.82Å; R900-E904 WeakPolarHBondContact O-CG 3.38Å; R900-E904 PolarHBondContact O-N 2.88Å
901	L	94.6	Very high	89.2	Confident	11 Å²	11	59.1 Å²	59.1	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-38.2	177.2	-72.5	166.8	0	0	0	112.2	F864 F867 V868 T897 M898 E904 N905 Y914	F864-L901 HydrophobicContact CE2-CD1 3.87Å; F864-L901 HydrophobicContact CZ-CD1 4.16Å; F867-L901 HydrophobicContact CE1-CD1 4.07Å; F867-L901 HydrophobicContact CE1-CD2 4.17Å; V868-L901 HydrophobicContact CG2-CD1 4.23Å; T897-L901 HydrophobicContact CG2-CD1 4.26Å; T897-L901 VanDerWaalsContact O-CG 3.32Å; T897-L901 WeakPolarHBondContact O-CG 3.37Å; T897-L901 PolarHBondContact O-N 2.79Å; M898-L901 PolarHBondContact O-N 2.95Å; M898-L901 HydrophobicContact SD-CD1 4.37Å; L901-E904 PolarHBondContact O-N 2.9Å; L901-N905 WeakPolarHBondContact O-CB 3.11Å; L901-N905 PolarHBondContact O-N 2.95Å; L901-N905 PolarHBondContact O-ND2 2.99Å; L901-Y914 HydrophobicContact CB-CD1 3.9Å; L901-Y914 HydrophobicContact CB-CD2 4.49Å; L901-Y914 HydrophobicContact CB-CE1 3.76Å; L901-Y914 HydrophobicContact CB-CE2 4.37Å; L901-Y914 HydrophobicContact CB-CG 4.29Å; L901-Y914 HydrophobicContact CD1-CD1 4.39Å; L901-Y914 HydrophobicContact CD1-CE1 4Å; L901-Y914 HydrophobicContact CG-CE1 4.44Å
902	Y	94.5	Very high	88.8	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-57.7	-49.4	171.6	175.8	-115.4	0	0	0	111.9	M898 L899 R900 E904 N905 V906 S911 L915 F933 L939 A940 H944	M898-Y902 PolarHBondContact O-N 3.17Å; L899-Y902 HydrophobicContact CD1-CD1 4.48Å; R900-Y902 VanDerWaalsContact C-N 3.28Å; R900-Y902 PolarHBondContact O-N 3.27Å; Y902-E904 PolarHBondContact O-N 3.08Å; Y902-N905 CarbonylContact O-C 3.51Å; Y902-N905 PolarHBondContact O-N 2.98Å; Y902-V906 VanDerWaalsContact O-CG2 3.31Å; Y902-V906 WeakPolarHBondContact O-CG2 3.3Å; Y902-V906 PolarHBondContact O-N 3.28Å; Y902-S911 WeakPolarHBondContact CD2-O 3.38Å; Y902-L915 HydrophobicContact CD1-CD1 4.41Å; Y902-L915 HydrophobicContact CD1-CD2 3.82Å; Y902-L915 HydrophobicContact CD1-CG 4.26Å; Y902-L915 HydrophobicContact CD2-CD1 4.07Å; Y902-L915 HydrophobicContact CD2-CD2 4.39Å; Y902-L915 HydrophobicContact CD2-CG 3.95Å; Y902-L915 HydrophobicContact CE1-CD1 4.11Å; Y902-L915 HydrophobicContact CE1-CD2 4.18Å; Y902-L915 HydrophobicContact CE1-CG 4.45Å; Y902-L915 HydrophobicContact CE2-CD1 3.78Å; Y902-L915 HydrophobicContact CE2-CG 4.19Å; Y902-L915 HydrophobicContact CG-CD1 4.41Å; Y902-L915 HydrophobicContact CG-CD2 3.95Å; Y902-L915 HydrophobicContact CG-CG 4.02Å; Y902-F933 AromaticContact CD1-CE1 3.96Å; Y902-F933 HydrophobicContact CD1-CE1 3.96Å; Y902-F933 HydrophobicContact CD1-CZ 4.13Å; Y902-F933 AromaticContact CE1-CE1 3.86Å; Y902-F933 HydrophobicContact CE1-CE1 3.86Å; Y902-F933 HydrophobicContact CE1-CZ 4.08Å; Y902-L939 HydrophobicContact CE1-CD2 4.45Å; Y902-A940 PolarHBondContact OH-N 2.92Å; Y902-A940 VanDerWaalsContact OH-N 3.08Å; Y902-H944 AromaticContact CE2-CE1 3.94Å; Y902-H944 AromaticContact CE2-ND1 3.64Å; Y902-H944 AromaticContact CZ-ND1 3.73Å; Y902-H944 PolarHBondContact OH-ND1 2.73Å; Y902-H944 VanDerWaalsContact OH-ND1 3.12Å
903	K	93.5	Very high	88.5	Confident	112 Å²	112	53.3 Å²	53.3	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-66.8	-33.2	-179.3	-69.5	162.9	-176.7	169	0	113.2	L899 R900 F933	L899-K903 VanDerWaalsContact O-CD 3.32Å; L899-K903 WeakPolarHBondContact O-CD 3.4Å; L899-K903 VanDerWaalsContact O-CG 3.27Å; L899-K903 WeakPolarHBondContact O-CG 3.27Å; L899-K903 PolarHBondContact O-N 3.01Å; R900-K903 PolarHBondContact O-N 3.31Å; K903-F933 HydrophobicContact CG-CZ 4.38Å
904	E	91.2	Very high	88.5	Confident	109 Å²	109	50.4 Å²	50.4	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-76.1	-26.8	178	-73.6	170.5	-178.5	0	0	112.8	R900 L901 Y902	R900-E904 WeakPolarHBondContact CD-OE1 3.31Å; R900-E904 HydrophobicContact CG-CG 4.32Å; R900-E904 WeakPolarHBondContact CG-OE1 3.47Å; R900-E904 IonicContact CZ-OE1 3.2Å; R900-E904 IonicContact CZ-OE2 2.8Å; R900-E904 IonicContact NE-OE1 3.41Å; R900-E904 IonicContact NH1-OE1 2.77Å; R900-E904 PolarHBondContact NH1-OE1 2.83Å; R900-E904 IonicContact NH1-OE2 3.22Å; R900-E904 PolarHBondContact NH1-OE2 2.82Å; R900-E904 WeakPolarHBondContact O-CG 3.38Å; R900-E904 PolarHBondContact O-N 2.88Å; L901-E904 PolarHBondContact O-N 2.9Å; Y902-E904 PolarHBondContact O-N 3.08Å
905	N	86.1	Confident	88.4	Confident	46 Å²	46	49.7 Å²	49.7	25%	0.246	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	31.1	-172.7	-59.1	-81.5	0	0	0	112.2	L901 Y902 D907 E908 S911 Y914	L901-N905 WeakPolarHBondContact O-CB 3.11Å; L901-N905 PolarHBondContact O-N 2.95Å; L901-N905 PolarHBondContact O-ND2 2.99Å; Y902-N905 CarbonylContact O-C 3.51Å; Y902-N905 PolarHBondContact O-N 2.98Å; N905-D907 VanDerWaalsContact C-N 3.26Å; N905-D907 PolarHBondContact O-N 2.89Å; N905-E908 HydrophobicContact CB-CB 4.48Å; N905-E908 HydrophobicContact CB-CG 3.99Å; N905-E908 WeakPolarHBondContact O-CB 3.17Å; N905-E908 PolarHBondContact O-N 3.49Å; N905-S911 WeakPolarHBondContact O-CB 3.5Å; N905-Y914 HydrophobicContact CB-CE2 4.25Å
906	V	81.4	Confident	88.3	Confident	50 Å²	50	49.8 Å²	49.8	30%	0.303	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-43.5	-176.4	161.7	0	0	0	0	112.8	Y902 E908 S911 A940	Y902-V906 VanDerWaalsContact O-CG2 3.31Å; Y902-V906 WeakPolarHBondContact O-CG2 3.3Å; Y902-V906 PolarHBondContact O-N 3.28Å; V906-E908 PolarHBondContact O-N 2.92Å; V906-S911 PolarHBondContact O-OG 3.15Å; V906-A940 HydrophobicContact CG1-CB 3.35Å
907	D	72	Confident	88.3	Confident	149 Å²	149	44.5 Å²	44.5	80%	0.797	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.9	-178.4	-60.1	-60.1	0	0	0	113.9	N905	N905-D907 VanDerWaalsContact C-N 3.26Å; N905-D907 PolarHBondContact O-N 2.89Å
908	E	72.1	Confident	88.3	Confident	72 Å²	72	43.1 Å²	43.1	34%	0.336	22%	0.221	S	C	.	.	S	Bend	trans	-71.8	132.6	170	-74.4	-164.6	157.6	0	0	110.7	R879 N905 V906 N910 S911	R879-E908 IonicContact CZ-OE2 2.76Å; R879-E908 IonicContact NH1-OE1 3.64Å; R879-E908 IonicContact NH1-OE2 2.75Å; R879-E908 PolarHBondContact NH1-OE2 2.9Å; R879-E908 IonicContact NH2-OE2 2.74Å; N905-E908 HydrophobicContact CB-CB 4.48Å; N905-E908 HydrophobicContact CB-CG 3.99Å; N905-E908 WeakPolarHBondContact O-CB 3.17Å; N905-E908 PolarHBondContact O-N 3.49Å; V906-E908 PolarHBondContact O-N 2.92Å; E908-N910 PolarHBondContact O-N 3.13Å; E908-S911 VanDerWaalsContact O-CB 3.24Å; E908-S911 WeakPolarHBondContact O-CB 3.39Å; E908-S911 PolarHBondContact O-N 3.3Å; E908-S911 PolarHBondContact O-OG 2.94Å; E908-S911 VanDerWaalsContact O-OG 3.07Å
909	P	64.6	Low	88.3	Confident	109 Å²	109	43.1 Å²	43.1	71%	0.708	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.6	174.9	-27.1	35	0	0	0	114
910	N	75.7	Confident	88.3	Confident	54 Å²	54	42.5 Å²	42.5	29%	0.289	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.2	-177.6	-71.5	48.3	0	0	0	113	R879 E908 S912 E913	R879-N910 PolarHBondContact NH2-O 3.01Å; R879-N910 VanDerWaalsContact NH2-O 3.11Å; E908-N910 PolarHBondContact O-N 3.13Å; N910-S912 PolarHBondContact O-N 3Å; N910-S912 VanDerWaalsContact O-N 3.13Å; N910-E913 HydrophobicContact CB-CG 4.5Å; N910-E913 WeakPolarHBondContact CB-OE1 3.04Å; N910-E913 PolarHBondContact ND2-OE1 3.07Å; N910-E913 WeakPolarHBondContact O-CB 3.05Å; N910-E913 WeakPolarHBondContact O-CG 3.3Å; N910-E913 PolarHBondContact O-N 3.16Å; N910-E913 VanDerWaalsContact O-N 3.08Å
911	S	83.2	Confident	88.3	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.007	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.1	-176	65	0	0	0	0	113.8	Y902 N905 V906 E908 E913 Y914 H944	Y902-S911 WeakPolarHBondContact CD2-O 3.38Å; N905-S911 WeakPolarHBondContact O-CB 3.5Å; V906-S911 PolarHBondContact O-OG 3.15Å; E908-S911 VanDerWaalsContact O-CB 3.24Å; E908-S911 WeakPolarHBondContact O-CB 3.39Å; E908-S911 PolarHBondContact O-N 3.3Å; E908-S911 PolarHBondContact O-OG 2.94Å; E908-S911 VanDerWaalsContact O-OG 3.07Å; S911-E913 PolarHBondContact O-N 3.46Å; S911-Y914 VanDerWaalsContact O-CD2 3.3Å; S911-Y914 WeakPolarHBondContact O-CD2 3.48Å; S911-Y914 PolarHBondContact O-N 3.42Å; S911-H944 PolarHBondContact OG-CE1 3.46Å
912	S	87	Confident	88.4	Confident	27 Å²	27	39.8 Å²	39.8	19%	0.189	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-14.1	177.2	86.5	0	0	0	0	114.7	N910 Y914 L915 A916 S947	N910-S912 PolarHBondContact O-N 3Å; N910-S912 VanDerWaalsContact O-N 3.13Å; S912-Y914 VanDerWaalsContact C-N 3.31Å; S912-Y914 PolarHBondContact O-N 3.28Å; S912-L915 PolarHBondContact O-N 3.35Å; S912-A916 PolarHBondContact O-N 3.36Å; S912-S947 WeakPolarHBondContact CB-OG 3.43Å; S912-S947 PolarHBondContact OG-OG 3.4Å
913	E	91.5	Very high	88.5	Confident	28 Å²	28	41.7 Å²	41.7	13%	0.131	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-37.2	173	-70.4	169.9	-169.2	0	0	112.4	R879 P880 L883 N910 S911 L915 A916 A917	R879-E913 IonicContact CZ-OE2 3.96Å; R879-E913 IonicContact NE-OE2 2.81Å; R879-E913 PolarHBondContact NE-OE2 3.36Å; R879-E913 IonicContact NH2-OE1 3.31Å; R879-E913 IonicContact NH2-OE2 3.79Å; R879-E913 PolarHBondContact NH2-OE2 2.8Å; P880-E913 HydrophobicContact CG-CG 4.3Å; L883-E913 HydrophobicContact CD1-CB 4.21Å; N910-E913 HydrophobicContact CB-CG 4.5Å; N910-E913 WeakPolarHBondContact CB-OE1 3.04Å; N910-E913 PolarHBondContact ND2-OE1 3.07Å; N910-E913 WeakPolarHBondContact O-CB 3.05Å; N910-E913 WeakPolarHBondContact O-CG 3.3Å; N910-E913 PolarHBondContact O-N 3.16Å; N910-E913 VanDerWaalsContact O-N 3.08Å; S911-E913 PolarHBondContact O-N 3.46Å; E913-L915 VanDerWaalsContact C-N 3.3Å; E913-L915 PolarHBondContact O-N 3.2Å; E913-A916 PolarHBondContact O-N 3.26Å; E913-A917 WeakPolarHBondContact O-CB 3.46Å; E913-A917 PolarHBondContact O-N 3.07Å
914	Y	95.1	Very high	88.7	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176.6	-60.9	-64.1	0	0	0	111	R879 L883 M898 L901 N905 S911 S912 A917 I918	R879-Y914 PolarHBondContact NH1-OH 2.84Å; L883-Y914 HydrophobicContact CD1-CD1 3.66Å; L883-Y914 HydrophobicContact CD1-CE1 3.74Å; L883-Y914 HydrophobicContact CD2-CD1 4.21Å; L883-Y914 HydrophobicContact CD2-CE1 4.03Å; M898-Y914 HydrophobicContact SD-CD1 4.07Å; L901-Y914 HydrophobicContact CB-CD1 3.9Å; L901-Y914 HydrophobicContact CB-CD2 4.49Å; L901-Y914 HydrophobicContact CB-CE1 3.76Å; L901-Y914 HydrophobicContact CB-CE2 4.37Å; L901-Y914 HydrophobicContact CB-CG 4.29Å; L901-Y914 HydrophobicContact CD1-CD1 4.39Å; L901-Y914 HydrophobicContact CD1-CE1 4Å; L901-Y914 HydrophobicContact CG-CE1 4.44Å; N905-Y914 HydrophobicContact CB-CE2 4.25Å; S911-Y914 VanDerWaalsContact O-CD2 3.3Å; S911-Y914 WeakPolarHBondContact O-CD2 3.48Å; S911-Y914 PolarHBondContact O-N 3.42Å; S912-Y914 VanDerWaalsContact C-N 3.31Å; S912-Y914 PolarHBondContact O-N 3.28Å; Y914-A917 PolarHBondContact O-N 3.27Å; Y914-I918 WeakPolarHBondContact O-CD1 3.31Å; Y914-I918 VanDerWaalsContact O-CG1 3.25Å; Y914-I918 WeakPolarHBondContact O-CG1 3.4Å; Y914-I918 PolarHBondContact O-N 2.63Å
915	L	95.4	Very high	89	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.4	-39.5	176.7	-61.7	171.9	0	0	0	111.9	L899 Y902 S912 E913 I918 G919 L930 L939 H944 I948	L899-L915 HydrophobicContact CD1-CD2 4.48Å; Y902-L915 HydrophobicContact CD1-CD1 4.41Å; Y902-L915 HydrophobicContact CD1-CD2 3.82Å; Y902-L915 HydrophobicContact CD1-CG 4.26Å; Y902-L915 HydrophobicContact CD2-CD1 4.07Å; Y902-L915 HydrophobicContact CD2-CD2 4.39Å; Y902-L915 HydrophobicContact CD2-CG 3.95Å; Y902-L915 HydrophobicContact CE1-CD1 4.11Å; Y902-L915 HydrophobicContact CE1-CD2 4.18Å; Y902-L915 HydrophobicContact CE1-CG 4.45Å; Y902-L915 HydrophobicContact CE2-CD1 3.78Å; Y902-L915 HydrophobicContact CE2-CG 4.19Å; Y902-L915 HydrophobicContact CG-CD1 4.41Å; Y902-L915 HydrophobicContact CG-CD2 3.95Å; Y902-L915 HydrophobicContact CG-CG 4.02Å; S912-L915 PolarHBondContact O-N 3.35Å; E913-L915 VanDerWaalsContact C-N 3.3Å; E913-L915 PolarHBondContact O-N 3.2Å; L915-I918 PolarHBondContact O-N 3Å; L915-G919 PolarHBondContact O-N 2.82Å; L915-G919 VanDerWaalsContact O-N 3.09Å; L915-L930 HydrophobicContact CD2-CD1 3.88Å; L915-L939 HydrophobicContact CD1-CD2 3.83Å; L915-L939 HydrophobicContact CD2-CD2 4.46Å; L915-H944 HydrophobicContact CD1-CB 3.81Å; L915-I948 HydrophobicContact CB-CG1 3.97Å
916	A	94.3	Very high	89.5	Confident	5 Å²	5	35.6 Å²	35.6	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-40.4	175.2	0	0	0	0	0	112.4	S912 E913 G919 Y920 S947 E950 Y951	S912-A916 PolarHBondContact O-N 3.36Å; E913-A916 PolarHBondContact O-N 3.26Å; A916-G919 PolarHBondContact O-N 2.88Å; A916-Y920 PolarHBondContact O-N 2.86Å; A916-S947 WeakPolarHBondContact CA-O 3.41Å; A916-S947 WeakPolarHBondContact CB-O 3.31Å; A916-E950 HydrophobicContact CB-CB 4.42Å; A916-Y951 HydrophobicContact CB-CD2 3.91Å; A916-Y951 HydrophobicContact CB-CE2 3.93Å; A916-Y951 WeakPolarHBondContact O-CD2 3.39Å
917	A	96.7	Very high	90.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-51.1	174.2	0	0	0	0	0	111.7	L883 C887 E913 Y914 G919 Y920	L883-A917 HydrophobicContact CB-CB 3.57Å; C887-A917 WeakPolarHBondContact CB-O 3.49Å; E913-A917 WeakPolarHBondContact O-CB 3.46Å; E913-A917 PolarHBondContact O-N 3.07Å; Y914-A917 PolarHBondContact O-N 3.27Å; A917-G919 VanDerWaalsContact C-N 3.25Å; A917-G919 PolarHBondContact O-N 3.12Å; A917-Y920 WeakPolarHBondContact O-CA 3.2Å; A917-Y920 WeakPolarHBondContact O-CB 3.19Å; A917-Y920 PolarHBondContact O-N 2.98Å
918	I	97.8	Very high	91.4	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-41.9	178.5	-59.6	156.6	0	0	0	110.7	A895 M898 L899 Y914 L915 Y920 T921 V926 L930	A895-I918 HydrophobicContact CB-CG2 4.2Å; M898-I918 HydrophobicContact CB-CD1 3.75Å; M898-I918 HydrophobicContact CB-CG1 3.47Å; M898-I918 VanDerWaalsContact CB-CG1 3.47Å; M898-I918 HydrophobicContact CG-CG1 4.18Å; L899-I918 HydrophobicContact CB-CD1 3.93Å; L899-I918 HydrophobicContact CD1-CD1 4.36Å; Y914-I918 WeakPolarHBondContact O-CD1 3.31Å; Y914-I918 VanDerWaalsContact O-CG1 3.25Å; Y914-I918 WeakPolarHBondContact O-CG1 3.4Å; Y914-I918 PolarHBondContact O-N 2.63Å; L915-I918 PolarHBondContact O-N 3Å; I918-Y920 PolarHBondContact O-N 2.97Å; I918-T921 WeakPolarHBondContact O-CB 3.24Å; I918-T921 VanDerWaalsContact O-CG2 3.25Å; I918-T921 WeakPolarHBondContact O-CG2 3.28Å; I918-T921 PolarHBondContact O-N 3.25Å; I918-V926 HydrophobicContact CG2-CG1 3.59Å; I918-L930 HydrophobicContact CB-CD2 4.06Å; I918-L930 HydrophobicContact CD1-CD1 4.3Å; I918-L930 HydrophobicContact CG2-CB 4.44Å; I918-L930 HydrophobicContact CG2-CD1 4.34Å; I918-L930 HydrophobicContact CG2-CD2 3.83Å; I918-L930 HydrophobicContact CG2-CG 4.44Å
919	G	95.7	Very high	92.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55	-22.9	175.5	0	0	0	0	0	114.2	L915 A916 A917 T921 M952	L915-G919 PolarHBondContact O-N 2.82Å; L915-G919 VanDerWaalsContact O-N 3.09Å; A916-G919 PolarHBondContact O-N 2.88Å; A917-G919 VanDerWaalsContact C-N 3.25Å; A917-G919 PolarHBondContact O-N 3.12Å; G919-T921 VanDerWaalsContact C-N 3.31Å; G919-T921 PolarHBondContact O-N 3.33Å; G919-M952 WeakPolarHBondContact O-CA 3.37Å; G919-M952 WeakPolarHBondContact O-CB 3.48Å; G919-M952 WeakPolarHBondContact O-CG 3.35Å; G919-M952 PolarHBondContact O-N 3.27Å
920	Y	95.7	Very high	94.1	Very high	11 Å²	11	25.4 Å²	25.4	4%	0.043	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.2	179	-148.5	164.2	0	0	0	114.6	E850 C884 R888 A916 A917 I918 Y951 R954 T955	E850-Y920 PolarHBondContact OE2-OH 3.08Å; C884-Y920 HydrophobicContact CB-CD1 3.52Å; C884-Y920 HydrophobicContact CB-CE1 3.84Å; R888-Y920 HydrophobicContact CB-CD1 4.37Å; R888-Y920 HydrophobicContact CB-CD2 4.21Å; R888-Y920 HydrophobicContact CB-CE2 4.47Å; R888-Y920 HydrophobicContact CB-CG 4.14Å; R888-Y920 HydrophobicContact CG-CD2 4.27Å; R888-Y920 HydrophobicContact CG-CE2 4.18Å; R888-Y920 PolarHBondContact NH1-OH 3.22Å; A916-Y920 PolarHBondContact O-N 2.86Å; A917-Y920 WeakPolarHBondContact O-CA 3.2Å; A917-Y920 WeakPolarHBondContact O-CB 3.19Å; A917-Y920 PolarHBondContact O-N 2.98Å; I918-Y920 PolarHBondContact O-N 2.97Å; Y920-Y951 AromaticContact CD1-CD1 3.74Å; Y920-Y951 HydrophobicContact CD1-CD1 3.74Å; Y920-Y951 AromaticContact CD1-CG 3.74Å; Y920-Y951 HydrophobicContact CD1-CG 3.74Å; Y920-Y951 AromaticContact CE1-CD1 3.6Å; Y920-Y951 HydrophobicContact CE1-CD1 3.6Å; Y920-Y951 HydrophobicContact CE1-CE1 4.39Å; Y920-Y951 HydrophobicContact CE1-CG 4.1Å; Y920-Y951 VanDerWaalsContact CG-CB 3.43Å; Y920-Y951 HydrophobicContact CG-CD1 4.4Å; Y920-Y951 HydrophobicContact CG-CG 4.1Å; Y920-R954 HydrophobicContact CD2-CB 4.08Å; Y920-R954 HydrophobicContact CE2-CB 3.39Å; Y920-R954 HydrophobicContact CE2-CG 4.06Å; Y920-T955 HydrophobicContact CD2-CG2 4.06Å; Y920-T955 HydrophobicContact CE2-CG2 4.43Å; Y920-T955 VanDerWaalsContact O-CG2 3.26Å; Y920-T955 WeakPolarHBondContact O-CG2 3.31Å
921	T	97.1	Very high	95	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.128	C	C	.	.			trans	-65.3	145.5	-178.8	-169.6	0	0	0	0	112.7	C887 I918 G919 I923 V926 L927 T955	C887-T921 VanDerWaalsContact O-CA 3.31Å; C887-T921 WeakPolarHBondContact O-CA 3.21Å; C887-T921 PolarHBondContact O-OG1 3.24Å; I918-T921 WeakPolarHBondContact O-CB 3.24Å; I918-T921 VanDerWaalsContact O-CG2 3.25Å; I918-T921 WeakPolarHBondContact O-CG2 3.28Å; I918-T921 PolarHBondContact O-N 3.25Å; G919-T921 VanDerWaalsContact C-N 3.31Å; G919-T921 PolarHBondContact O-N 3.33Å; T921-I923 HydrophobicContact CG2-CB 4.39Å; T921-I923 WeakPolarHBondContact OG1-CG1 3.48Å; T921-I923 PolarHBondContact OG1-N 2.98Å; T921-V926 HydrophobicContact CG2-CB 3.9Å; T921-V926 HydrophobicContact CG2-CG1 3.8Å; T921-L927 HydrophobicContact CG2-CD2 3.66Å; T921-L927 HydrophobicContact CG2-CG 3.74Å; T921-T955 PolarHBondContact O-OG1 3.35Å
922	P	95.3	Very high	95.6	Very high	56 Å²	56	27.5 Å²	27.5	36%	0.364	15%	0.148	S	C	.	.	S	Bend	trans	-79.3	-3	166.8	33.1	-35.6	0	0	0	113.3	V957	P922-V957 WeakPolarHBondContact O-CB 3.46Å
923	I	97.8	Very high	96	Very high	41 Å²	41	27.4 Å²	27.4	21%	0.21	14%	0.144	C	C	.	.			trans	-90.7	115.8	-171.6	-55.6	172.5	0	0	0	111	E892 T921 S925 V926 L927	E892-I923 HydrophobicContact CG-CD1 4.07Å; E892-I923 HydrophobicContact CG-CG2 4.05Å; T921-I923 HydrophobicContact CG2-CB 4.39Å; T921-I923 WeakPolarHBondContact OG1-CG1 3.48Å; T921-I923 PolarHBondContact OG1-N 2.98Å; I923-S925 VanDerWaalsContact CG2-OG 3.27Å; I923-S925 WeakPolarHBondContact CG2-OG 3.19Å; I923-V926 HydrophobicContact CB-CB 4.36Å; I923-V926 HydrophobicContact CB-CG2 4.05Å; I923-V926 HydrophobicContact CG2-CB 4.41Å; I923-V926 HydrophobicContact CG2-CG2 3.84Å; I923-V926 PolarHBondContact O-N 3.23Å; I923-L927 PolarHBondContact O-N 3.17Å
924	L	96.4	Very high	96	Very high	78 Å²	78	27.7 Å²	27.7	41%	0.408	14%	0.144	S	C	.	.	H	α-helix	trans	-64.5	-42.7	-173.9	-178	61.3	0	0	0	113.7	V926 L927 E928 V957 F961	L924-V926 VanDerWaalsContact C-N 3.29Å; L924-V926 PolarHBondContact O-N 3.35Å; L924-L927 PolarHBondContact O-N 3.07Å; L924-L927 VanDerWaalsContact O-N 3.15Å; L924-E928 HydrophobicContact CD1-CG 4.49Å; L924-E928 PolarHBondContact O-N 3.48Å; L924-V957 HydrophobicContact CB-CG1 4.05Å; L924-V957 HydrophobicContact CD1-CG1 4.3Å; L924-F961 HydrophobicContact CD1-CB 4.14Å; L924-F961 HydrophobicContact CD1-CD2 3.51Å; L924-F961 HydrophobicContact CD1-CE2 4.07Å; L924-F961 HydrophobicContact CD1-CG 3.87Å
925	S	97.2	Very high	95.8	Very high	47 Å²	47	32.5 Å²	32.5	33%	0.329	17%	0.167	S	C	.	.	H	α-helix	trans	-55.9	-41.7	178.1	27.7	0	0	0	0	112.5	E892 I923 N929	E892-S925 WeakPolarHBondContact OE1-CB 3.31Å; E892-S925 PolarHBondContact OE1-OG 2.83Å; I923-S925 VanDerWaalsContact CG2-OG 3.27Å; I923-S925 WeakPolarHBondContact CG2-OG 3.19Å; S925-N929 WeakPolarHBondContact O-CB 3.34Å; S925-N929 PolarHBondContact O-N 2.94Å; S925-N929 PolarHBondContact O-ND2 3.43Å
926	V	97.9	Very high	95.7	Very high	15 Å²	15	36.1 Å²	36.1	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-45.4	176.4	176.3	0	0	0	0	111.2	E892 A895 I918 T921 I923 L924 E928 N929 L930	E892-V926 HydrophobicContact CB-CG2 4.11Å; E892-V926 HydrophobicContact CG-CG2 3.79Å; A895-V926 HydrophobicContact CB-CB 4.43Å; A895-V926 HydrophobicContact CB-CG1 3.39Å; A895-V926 HydrophobicContact CB-CG2 4.13Å; I918-V926 HydrophobicContact CG2-CG1 3.59Å; T921-V926 HydrophobicContact CG2-CB 3.9Å; T921-V926 HydrophobicContact CG2-CG1 3.8Å; I923-V926 HydrophobicContact CB-CB 4.36Å; I923-V926 HydrophobicContact CB-CG2 4.05Å; I923-V926 HydrophobicContact CG2-CB 4.41Å; I923-V926 HydrophobicContact CG2-CG2 3.84Å; I923-V926 PolarHBondContact O-N 3.23Å; L924-V926 VanDerWaalsContact C-N 3.29Å; L924-V926 PolarHBondContact O-N 3.35Å; V926-E928 PolarHBondContact O-N 2.71Å; V926-N929 PolarHBondContact O-N 2.89Å; V926-L930 WeakPolarHBondContact O-CB 3.4Å; V926-L930 PolarHBondContact O-N 3.34Å
927	L	97.1	Very high	95.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-40.4	178.5	-64.9	177.2	0	0	0	112.2	T921 I923 L924 L930 L931 M952 F961	T921-L927 HydrophobicContact CG2-CD2 3.66Å; T921-L927 HydrophobicContact CG2-CG 3.74Å; I923-L927 PolarHBondContact O-N 3.17Å; L924-L927 PolarHBondContact O-N 3.07Å; L924-L927 VanDerWaalsContact O-N 3.15Å; L927-L930 PolarHBondContact O-N 2.78Å; L927-L931 PolarHBondContact O-N 3.05Å; L927-M952 HydrophobicContact CD1-CG 4.13Å; L927-M952 HydrophobicContact CD1-SD 4.47Å; L927-M952 HydrophobicContact CD2-CE 4.19Å; L927-M952 HydrophobicContact CD2-CG 3.97Å; L927-M952 HydrophobicContact CD2-SD 4.28Å; L927-F961 HydrophobicContact CB-CD1 3.62Å; L927-F961 HydrophobicContact CB-CE1 3.6Å; L927-F961 HydrophobicContact CB-CG 4.47Å; L927-F961 HydrophobicContact CB-CZ 4.45Å; L927-F961 HydrophobicContact CD1-CB 4.49Å; L927-F961 HydrophobicContact CD1-CD1 4.09Å; L927-F961 HydrophobicContact CG-CD1 4.46Å
928	E	96.9	Very high	95	Very high	74 Å²	74	42.6 Å²	42.6	35%	0.346	25%	0.245	S	C	.	.	H	α-helix	trans	-62.3	-42.9	172.9	-72.5	-174.5	-163.8	0	0	112.5	L924 V926 L930 L931 K932 F961	L924-E928 HydrophobicContact CD1-CG 4.49Å; L924-E928 PolarHBondContact O-N 3.48Å; V926-E928 PolarHBondContact O-N 2.71Å; E928-L930 VanDerWaalsContact C-N 3.34Å; E928-L931 PolarHBondContact O-N 2.95Å; E928-K932 WeakPolarHBondContact O-CD 3.29Å; E928-K932 VanDerWaalsContact O-CG 3.24Å; E928-K932 WeakPolarHBondContact O-CG 3.48Å; E928-K932 PolarHBondContact O-N 3.13Å; E928-K932 IonicContact OE2-NZ 2.75Å; E928-K932 PolarHBondContact OE2-NZ 3.3Å; E928-F961 HydrophobicContact CB-CZ 4.34Å; E928-F961 HydrophobicContact CG-CE2 3.75Å; E928-F961 HydrophobicContact CG-CZ 3.83Å
929	N	96.3	Very high	94.4	Very high	89 Å²	89	43.6 Å²	43.6	48%	0.476	25%	0.25	S	C	.	.	H	α-helix	trans	-70.3	-31.7	-179.6	-68.9	-14.1	0	0	0	112.2	S925 V926 K932 F933	S925-N929 WeakPolarHBondContact O-CB 3.34Å; S925-N929 PolarHBondContact O-N 2.94Å; S925-N929 PolarHBondContact O-ND2 3.43Å; V926-N929 PolarHBondContact O-N 2.89Å; N929-K932 PolarHBondContact OD1-NZ 3.13Å; N929-F933 WeakPolarHBondContact O-CB 3.28Å; N929-F933 PolarHBondContact O-N 3.16Å
930	L	96.2	Very high	93.6	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-39.5	172.5	-177.9	63.4	0	0	0	112.3	L915 I918 V926 L927 E928 F933 Y934 I948	L915-L930 HydrophobicContact CD2-CD1 3.88Å; I918-L930 HydrophobicContact CB-CD2 4.06Å; I918-L930 HydrophobicContact CD1-CD1 4.3Å; I918-L930 HydrophobicContact CG2-CB 4.44Å; I918-L930 HydrophobicContact CG2-CD1 4.34Å; I918-L930 HydrophobicContact CG2-CD2 3.83Å; I918-L930 HydrophobicContact CG2-CG 4.44Å; V926-L930 WeakPolarHBondContact O-CB 3.4Å; V926-L930 PolarHBondContact O-N 3.34Å; L927-L930 PolarHBondContact O-N 2.78Å; E928-L930 VanDerWaalsContact C-N 3.34Å; L930-F933 WeakPolarHBondContact O-CB 3.14Å; L930-F933 PolarHBondContact O-N 3.14Å; L930-Y934 PolarHBondContact O-N 3.48Å; L930-I948 HydrophobicContact CD1-CD1 4.42Å; L930-I948 HydrophobicContact CD1-CG1 4.46Å; L930-I948 HydrophobicContact CD2-CB 4.41Å; L930-I948 HydrophobicContact CD2-CG1 4.21Å; L930-I948 HydrophobicContact CD2-CG2 3.67Å; L930-I948 HydrophobicContact CG-CD1 4.31Å; L930-I948 HydrophobicContact CG-CG1 4.33Å; L930-I948 HydrophobicContact CG-CG2 4.13Å
931	L	95	Very high	92.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-76.2	-38.2	177.3	-64.3	-176.6	0	0	0	112.5	L927 E928 F933 Y934 E935 I948 F949 F961 Y965	L927-L931 PolarHBondContact O-N 3.05Å; E928-L931 PolarHBondContact O-N 2.95Å; L931-F933 PolarHBondContact O-N 3.2Å; L931-Y934 WeakPolarHBondContact O-CA 3.32Å; L931-Y934 WeakPolarHBondContact O-CB 3.3Å; L931-Y934 PolarHBondContact O-N 2.9Å; L931-Y934 VanDerWaalsContact O-N 3.09Å; L931-E935 WeakPolarHBondContact O-CG 3.15Å; L931-E935 PolarHBondContact O-N 3.01Å; L931-I948 HydrophobicContact CD2-CG2 3.8Å; L931-F949 HydrophobicContact CD1-CZ 4.21Å; L931-F949 HydrophobicContact CD2-CE2 4.08Å; L931-F949 HydrophobicContact CD2-CZ 3.89Å; L931-F961 HydrophobicContact CD1-CD1 4.37Å; L931-F961 HydrophobicContact CD1-CE1 3.4Å; L931-F961 HydrophobicContact CD1-CZ 3.79Å; L931-F961 HydrophobicContact CG-CE1 4.16Å; L931-Y965 HydrophobicContact CB-CE2 3.99Å; L931-Y965 HydrophobicContact CD1-CD1 3.8Å; L931-Y965 HydrophobicContact CD1-CD2 3.37Å; L931-Y965 HydrophobicContact CD1-CE1 3.98Å; L931-Y965 HydrophobicContact CD1-CE2 3.57Å; L931-Y965 HydrophobicContact CD1-CG 3.48Å; L931-Y965 VanDerWaalsContact CD1-CG 3.48Å; L931-Y965 HydrophobicContact CD2-CE1 4.47Å; L931-Y965 HydrophobicContact CG-CE2 4.33Å
932	K	95.4	Very high	91.9	Very high	97 Å²	97	53.4 Å²	53.4	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-57.8	-36.8	169	-66.5	161.9	-158.8	160.2	0	111.9	E928 N929 E935 A936	E928-K932 WeakPolarHBondContact O-CD 3.29Å; E928-K932 VanDerWaalsContact O-CG 3.24Å; E928-K932 WeakPolarHBondContact O-CG 3.48Å; E928-K932 PolarHBondContact O-N 3.13Å; E928-K932 IonicContact OE2-NZ 2.75Å; E928-K932 PolarHBondContact OE2-NZ 3.3Å; N929-K932 PolarHBondContact OD1-NZ 3.13Å; K932-E935 PolarHBondContact O-N 3.06Å; K932-A936 WeakPolarHBondContact O-CB 3.44Å; K932-A936 PolarHBondContact O-N 2.9Å; K932-A936 VanDerWaalsContact O-N 3.08Å
933	F	94.8	Very high	91	Very high	24 Å²	24	52.2 Å²	52.2	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-39.9	175	174.9	-102.3	0	0	0	112.4	L899 Y902 K903 N929 L930 L931 N938 L939	L899-F933 HydrophobicContact CD1-CD1 3.84Å; L899-F933 HydrophobicContact CD1-CD2 4.48Å; L899-F933 HydrophobicContact CD1-CE1 3.71Å; L899-F933 HydrophobicContact CD1-CE2 4.37Å; L899-F933 HydrophobicContact CD1-CG 4.22Å; L899-F933 HydrophobicContact CD1-CZ 3.99Å; Y902-F933 AromaticContact CD1-CE1 3.96Å; Y902-F933 HydrophobicContact CD1-CE1 3.96Å; Y902-F933 HydrophobicContact CD1-CZ 4.13Å; Y902-F933 AromaticContact CE1-CE1 3.86Å; Y902-F933 HydrophobicContact CE1-CE1 3.86Å; Y902-F933 HydrophobicContact CE1-CZ 4.08Å; K903-F933 HydrophobicContact CG-CZ 4.38Å; N929-F933 WeakPolarHBondContact O-CB 3.28Å; N929-F933 PolarHBondContact O-N 3.16Å; L930-F933 WeakPolarHBondContact O-CB 3.14Å; L930-F933 PolarHBondContact O-N 3.14Å; L931-F933 PolarHBondContact O-N 3.2Å; F933-N938 HydrophobicContact CD1-CB 4.31Å; F933-N938 HydrophobicContact CD2-CB 3.66Å; F933-N938 HydrophobicContact CE1-CB 3.92Å; F933-N938 HydrophobicContact CE2-CB 3.18Å; F933-N938 HydrophobicContact CG-CB 4.19Å; F933-N938 HydrophobicContact CZ-CB 3.34Å; F933-N938 WeakPolarHBondContact CZ-O 3.24Å; F933-N938 WeakPolarHBondContact O-CB 3.46Å; F933-N938 PolarHBondContact O-N 2.92Å; F933-N938 PolarHBondContact O-ND2 2.76Å; F933-L939 HydrophobicContact CD1-CD2 4.31Å; F933-L939 HydrophobicContact CE1-CD2 4.06Å
934	Y	92.5	Very high	90.5	Very high	34 Å²	34	51.1 Å²	51.1	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-49.3	170.8	152.3	-108.8	0	0	0	112.3	L930 L931 A936 G937 L939 I945 L973 H977	L930-Y934 PolarHBondContact O-N 3.48Å; L931-Y934 WeakPolarHBondContact O-CA 3.32Å; L931-Y934 WeakPolarHBondContact O-CB 3.3Å; L931-Y934 PolarHBondContact O-N 2.9Å; L931-Y934 VanDerWaalsContact O-N 3.09Å; Y934-A936 VanDerWaalsContact C-N 3.27Å; Y934-A936 PolarHBondContact O-N 3.41Å; Y934-G937 WeakPolarHBondContact O-CA 3.49Å; Y934-G937 PolarHBondContact O-N 2.91Å; Y934-L939 HydrophobicContact CD2-CD1 3.54Å; Y934-L939 HydrophobicContact CD2-CG 4.01Å; Y934-L939 HydrophobicContact CE2-CD1 4.43Å; Y934-L939 HydrophobicContact CG-CD1 4.22Å; Y934-I945 HydrophobicContact CD1-CD1 4.36Å; Y934-I945 HydrophobicContact CD2-CD1 4.22Å; Y934-I945 HydrophobicContact CD2-CG1 4.19Å; Y934-I945 HydrophobicContact CE1-CD1 3.78Å; Y934-I945 HydrophobicContact CE1-CG1 4.48Å; Y934-I945 HydrophobicContact CE2-CB 4.48Å; Y934-I945 HydrophobicContact CE2-CD1 3.61Å; Y934-I945 HydrophobicContact CE2-CG1 4.04Å; Y934-I945 HydrophobicContact CG-CG1 4.47Å; Y934-L973 HydrophobicContact CE1-CD2 4.41Å; Y934-H977 AromaticContact CE2-NE2 3.88Å; Y934-H977 AromaticContact CZ-NE2 3.84Å; Y934-H977 PolarHBondContact OH-NE2 3.29Å
935	E	91.3	Very high	90.1	Very high	102 Å²	102	47.4 Å²	47.4	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-36	-177.4	-74.3	155.3	-164.5	0	0	112.7	L931 K932 G937 Y965	L931-E935 WeakPolarHBondContact O-CG 3.15Å; L931-E935 PolarHBondContact O-N 3.01Å; K932-E935 PolarHBondContact O-N 3.06Å; E935-G937 PolarHBondContact O-N 2.86Å; E935-G937 VanDerWaalsContact O-N 3.16Å; E935-Y965 WeakPolarHBondContact OE1-CE2 3.43Å; E935-Y965 VanDerWaalsContact OE1-CZ 3.28Å; E935-Y965 PolarHBondContact OE1-OH 3.45Å
936	A	92.4	Very high	89.7	Confident	75 Å²	75	45.2 Å²	45.2	62%	0.62	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	9.4	172.8	0	0	0	0	0	114.1	K932 Y934 N938	K932-A936 WeakPolarHBondContact O-CB 3.44Å; K932-A936 PolarHBondContact O-N 2.9Å; K932-A936 VanDerWaalsContact O-N 3.08Å; Y934-A936 VanDerWaalsContact C-N 3.27Å; Y934-A936 PolarHBondContact O-N 3.41Å; A936-N938 VanDerWaalsContact CB-ND2 3.32Å; A936-N938 WeakPolarHBondContact CB-ND2 3.42Å; A936-N938 PolarHBondContact O-ND2 2.86Å
937	G	86.2	Confident	89.3	Confident	62 Å²	62	44.9 Å²	44.9	64%	0.639	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	13.2	170.5	0	0	0	0	0	115.9	Y934 E935 L939	Y934-G937 WeakPolarHBondContact O-CA 3.49Å; Y934-G937 PolarHBondContact O-N 2.91Å; E935-G937 PolarHBondContact O-N 2.86Å; E935-G937 VanDerWaalsContact O-N 3.16Å; G937-L939 VanDerWaalsContact C-N 3.3Å; G937-L939 PolarHBondContact O-N 2.86Å
938	N	89.1	Confident	89.2	Confident	79 Å²	79	44.9 Å²	44.9	42%	0.422	26%	0.258	S	S	.	.			trans	-86.2	15.3	-169.9	-53.5	-86.4	0	0	0	115.1	F933 A936	F933-N938 HydrophobicContact CD1-CB 4.31Å; F933-N938 HydrophobicContact CD2-CB 3.66Å; F933-N938 HydrophobicContact CE1-CB 3.92Å; F933-N938 HydrophobicContact CE2-CB 3.18Å; F933-N938 HydrophobicContact CG-CB 4.19Å; F933-N938 HydrophobicContact CZ-CB 3.34Å; F933-N938 WeakPolarHBondContact CZ-O 3.24Å; F933-N938 WeakPolarHBondContact O-CB 3.46Å; F933-N938 PolarHBondContact O-N 2.92Å; F933-N938 PolarHBondContact O-ND2 2.76Å; A936-N938 VanDerWaalsContact CB-ND2 3.32Å; A936-N938 WeakPolarHBondContact CB-ND2 3.42Å; A936-N938 PolarHBondContact O-ND2 2.86Å
939	L	86.1	Confident	88.9	Confident	25 Å²	25	41.3 Å²	41.3	13%	0.131	24%	0.241	C	C	.	.			trans	-90.7	124	172.3	-60.5	-168.1	0	0	0	110.2	Y902 L915 F933 Y934 G937 H944 I945 I948	Y902-L939 HydrophobicContact CE1-CD2 4.45Å; L915-L939 HydrophobicContact CD1-CD2 3.83Å; L915-L939 HydrophobicContact CD2-CD2 4.46Å; F933-L939 HydrophobicContact CD1-CD2 4.31Å; F933-L939 HydrophobicContact CE1-CD2 4.06Å; Y934-L939 HydrophobicContact CD2-CD1 3.54Å; Y934-L939 HydrophobicContact CD2-CG 4.01Å; Y934-L939 HydrophobicContact CE2-CD1 4.43Å; Y934-L939 HydrophobicContact CG-CD1 4.22Å; G937-L939 VanDerWaalsContact C-N 3.3Å; G937-L939 PolarHBondContact O-N 2.86Å; L939-H944 HydrophobicContact CB-CB 4.48Å; L939-H944 HydrophobicContact CD1-CB 4.13Å; L939-I945 HydrophobicContact CD1-CB 4.1Å; L939-I948 HydrophobicContact CD1-CD1 4.08Å; L939-I948 HydrophobicContact CD2-CD1 4.34Å
940	A	79.6	Confident	88.7	Confident	65 Å²	65	39.5 Å²	39.5	54%	0.537	23%	0.23	S	C	.	.	S	Bend	trans	-68.6	-36.2	-175.1	0	0	0	0	0	114.4	Y902 V906	Y902-A940 PolarHBondContact OH-N 2.92Å; Y902-A940 VanDerWaalsContact OH-N 3.08Å; V906-A940 HydrophobicContact CG1-CB 3.35Å
941	S	80.5	Confident	88.5	Confident	21 Å²	21	41.6 Å²	41.6	15%	0.147	24%	0.238	C	C	.	.	S	Bend	trans	-120.3	139.6	166.3	179.5	0	0	0	0	108.8	D463 S943 H944	D463-S941 PolarHBondContact OD1-OG 2.75Å; S941-S943 PolarHBondContact O-N 3.39Å; S941-S943 VanDerWaalsContact O-N 3.15Å; S941-S943 PolarHBondContact OG-OG 3.28Å; S941-H944 WeakPolarHBondContact O-CB 3.24Å; S941-H944 PolarHBondContact O-N 2.96Å; S941-H944 VanDerWaalsContact O-N 3.11Å
942	K	76	Confident	88.4	Confident	133 Å²	133	41.5 Å²	41.5	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.6	177.1	-68.7	-175	179.4	-175.9	0	112	H944 I945	K942-H944 PolarHBondContact O-N 2.8Å; K942-I945 VanDerWaalsContact O-CG2 3.26Å; K942-I945 WeakPolarHBondContact O-CG2 3.32Å; K942-I945 PolarHBondContact O-N 3.43Å
943	S	76.7	Confident	88.1	Confident	30 Å²	30	37 Å²	37	21%	0.21	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29	178.6	63.8	0	0	0	0	113.7	S941 I945 A946	S941-S943 PolarHBondContact O-N 3.39Å; S941-S943 VanDerWaalsContact O-N 3.15Å; S941-S943 PolarHBondContact OG-OG 3.28Å; S943-I945 PolarHBondContact O-N 2.72Å; S943-I945 VanDerWaalsContact O-N 3.13Å; S943-A946 PolarHBondContact O-N 2.75Å; S943-A946 VanDerWaalsContact O-N 3.16Å
944	H	86.9	Confident	87.9	Confident	18 Å²	18	38 Å²	38	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-19.3	-176.2	-70.2	-167	0	0	0	113.8	Y902 S911 L915 L939 S941 K942 A946 S947 I948	Y902-H944 AromaticContact CE2-CE1 3.94Å; Y902-H944 AromaticContact CE2-ND1 3.64Å; Y902-H944 AromaticContact CZ-ND1 3.73Å; Y902-H944 PolarHBondContact OH-ND1 2.73Å; Y902-H944 VanDerWaalsContact OH-ND1 3.12Å; S911-H944 PolarHBondContact OG-CE1 3.46Å; L915-H944 HydrophobicContact CD1-CB 3.81Å; L939-H944 HydrophobicContact CB-CB 4.48Å; L939-H944 HydrophobicContact CD1-CB 4.13Å; S941-H944 WeakPolarHBondContact O-CB 3.24Å; S941-H944 PolarHBondContact O-N 2.96Å; S941-H944 VanDerWaalsContact O-N 3.11Å; K942-H944 PolarHBondContact O-N 2.8Å; H944-A946 PolarHBondContact O-N 3.29Å; H944-S947 WeakPolarHBondContact O-CB 3.14Å; H944-S947 PolarHBondContact O-N 3.5Å; H944-I948 PolarHBondContact O-N 2.99Å
945	I	89	Confident	87.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-34.8	175.5	-161.6	-172.7	0	0	0	111.5	Y934 L939 K942 S943 S947 I948 F949 L973 L986	Y934-I945 HydrophobicContact CD1-CD1 4.36Å; Y934-I945 HydrophobicContact CD2-CD1 4.22Å; Y934-I945 HydrophobicContact CD2-CG1 4.19Å; Y934-I945 HydrophobicContact CE1-CD1 3.78Å; Y934-I945 HydrophobicContact CE1-CG1 4.48Å; Y934-I945 HydrophobicContact CE2-CB 4.48Å; Y934-I945 HydrophobicContact CE2-CD1 3.61Å; Y934-I945 HydrophobicContact CE2-CG1 4.04Å; Y934-I945 HydrophobicContact CG-CG1 4.47Å; L939-I945 HydrophobicContact CD1-CB 4.1Å; K942-I945 VanDerWaalsContact O-CG2 3.26Å; K942-I945 WeakPolarHBondContact O-CG2 3.32Å; K942-I945 PolarHBondContact O-N 3.43Å; S943-I945 PolarHBondContact O-N 2.72Å; S943-I945 VanDerWaalsContact O-N 3.13Å; I945-S947 PolarHBondContact O-N 2.94Å; I945-I948 WeakPolarHBondContact O-CB 3.4Å; I945-I948 PolarHBondContact O-N 3.37Å; I945-F949 HydrophobicContact CG1-CE2 4.39Å; I945-F949 WeakPolarHBondContact O-CD2 3.31Å; I945-L973 HydrophobicContact CD1-CD2 3.65Å; I945-L986 HydrophobicContact CB-CD1 4.18Å; I945-L986 HydrophobicContact CD1-CD1 3.66Å; I945-L986 HydrophobicContact CG1-CD1 3.63Å; I945-L986 HydrophobicContact CG2-CD1 3.79Å
946	A	87.2	Confident	87.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-43.4	178.2	0	0	0	0	0	111.6	S943 H944 I948 F949 E950 Y982 K985 L986 Q989	S943-A946 PolarHBondContact O-N 2.75Å; S943-A946 VanDerWaalsContact O-N 3.16Å; H944-A946 PolarHBondContact O-N 3.29Å; A946-I948 VanDerWaalsContact C-N 3.27Å; A946-I948 PolarHBondContact O-N 3.24Å; A946-F949 PolarHBondContact O-N 3.09Å; A946-E950 PolarHBondContact O-N 3.1Å; A946-Y982 WeakPolarHBondContact CB-O 3.42Å; A946-K985 HydrophobicContact CB-CB 4.09Å; A946-K985 HydrophobicContact CB-CD 3.79Å; A946-K985 HydrophobicContact CB-CG 3.96Å; A946-L986 HydrophobicContact CB-CB 4.11Å; A946-Q989 PolarHBondContact O-OE1 3.17Å; A946-Q989 VanDerWaalsContact O-OE1 3.11Å
947	S	90.5	Very high	87.6	Confident	8 Å²	8	34.3 Å²	34.3	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-38.7	179.6	-58.8	0	0	0	0	112.2	S912 A916 H944 I945 F949 E950	S912-S947 WeakPolarHBondContact CB-OG 3.43Å; S912-S947 PolarHBondContact OG-OG 3.4Å; A916-S947 WeakPolarHBondContact CA-O 3.41Å; A916-S947 WeakPolarHBondContact CB-O 3.31Å; H944-S947 WeakPolarHBondContact O-CB 3.14Å; H944-S947 PolarHBondContact O-N 3.5Å; I945-S947 PolarHBondContact O-N 2.94Å; S947-F949 PolarHBondContact O-N 3.32Å; S947-E950 VanDerWaalsContact O-CB 3.24Å; S947-E950 WeakPolarHBondContact O-CB 3.32Å; S947-E950 PolarHBondContact O-N 3.11Å
948	I	93.6	Very high	87.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.6	-37.5	175.4	-68.1	171.3	0	0	0	112.5	L915 L930 L931 L939 H944 I945 A946 M952	L915-I948 HydrophobicContact CB-CG1 3.97Å; L930-I948 HydrophobicContact CD1-CD1 4.42Å; L930-I948 HydrophobicContact CD1-CG1 4.46Å; L930-I948 HydrophobicContact CD2-CB 4.41Å; L930-I948 HydrophobicContact CD2-CG1 4.21Å; L930-I948 HydrophobicContact CD2-CG2 3.67Å; L930-I948 HydrophobicContact CG-CD1 4.31Å; L930-I948 HydrophobicContact CG-CG1 4.33Å; L930-I948 HydrophobicContact CG-CG2 4.13Å; L931-I948 HydrophobicContact CD2-CG2 3.8Å; L939-I948 HydrophobicContact CD1-CD1 4.08Å; L939-I948 HydrophobicContact CD2-CD1 4.34Å; H944-I948 PolarHBondContact O-N 2.99Å; I945-I948 WeakPolarHBondContact O-CB 3.4Å; I945-I948 PolarHBondContact O-N 3.37Å; A946-I948 VanDerWaalsContact C-N 3.27Å; A946-I948 PolarHBondContact O-N 3.24Å; I948-M952 HydrophobicContact CG2-CE 3.6Å; I948-M952 WeakPolarHBondContact O-CE 3.47Å
949	F	92.6	Very high	87.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.3	-178.3	-69	-88.4	0	0	0	113.9	L931 I945 A946 S947 Y951 M952 P953 A962 Y965 I966 L986 A990	L931-F949 HydrophobicContact CD1-CZ 4.21Å; L931-F949 HydrophobicContact CD2-CE2 4.08Å; L931-F949 HydrophobicContact CD2-CZ 3.89Å; I945-F949 HydrophobicContact CG1-CE2 4.39Å; I945-F949 WeakPolarHBondContact O-CD2 3.31Å; A946-F949 PolarHBondContact O-N 3.09Å; S947-F949 PolarHBondContact O-N 3.32Å; F949-Y951 PolarHBondContact O-N 3.11Å; F949-M952 HydrophobicContact CD1-CE 4.08Å; F949-M952 HydrophobicContact CD1-SD 4.28Å; F949-M952 HydrophobicContact CE1-CE 4.11Å; F949-M952 HydrophobicContact CE1-SD 4.26Å; F949-P953 WeakPolarHBondContact O-CD 3.44Å; F949-A962 HydrophobicContact CD1-CB 3.92Å; F949-A962 HydrophobicContact CE1-CB 4.07Å; F949-Y965 HydrophobicContact CE1-CD1 4.35Å; F949-Y965 AromaticContact CZ-CD1 3.75Å; F949-Y965 HydrophobicContact CZ-CD1 3.75Å; F949-Y965 HydrophobicContact CZ-CE1 4.13Å; F949-I966 HydrophobicContact CD1-CD1 4.26Å; F949-I966 HydrophobicContact CE1-CD1 4.2Å; F949-I966 HydrophobicContact CE1-CG1 4.19Å; F949-I966 HydrophobicContact CZ-CG1 4.5Å; F949-L986 HydrophobicContact CB-CG 4.43Å; F949-L986 HydrophobicContact CD2-CD1 3.63Å; F949-L986 HydrophobicContact CD2-CD2 4.48Å; F949-L986 HydrophobicContact CD2-CG 3.75Å; F949-L986 HydrophobicContact CE2-CD1 3.86Å; F949-L986 HydrophobicContact CE2-CG 4.32Å; F949-L986 HydrophobicContact CG-CG 4.19Å; F949-A990 HydrophobicContact CB-CB 4.09Å; F949-A990 HydrophobicContact CD1-CB 3.86Å; F949-A990 HydrophobicContact CG-CB 4.24Å
950	E	90.7	Very high	87.9	Confident	51 Å²	51	31.8 Å²	31.8	24%	0.238	17%	0.168	C	C	.	.	S	Bend	trans	-64.6	-43	-173.3	-175.3	158	126.3	0	0	113.3	A916 A946 S947 K985 Q989	A916-E950 HydrophobicContact CB-CB 4.42Å; A946-E950 PolarHBondContact O-N 3.1Å; S947-E950 VanDerWaalsContact O-CB 3.24Å; S947-E950 WeakPolarHBondContact O-CB 3.32Å; S947-E950 PolarHBondContact O-N 3.11Å; E950-K985 WeakPolarHBondContact OE2-CE 3.5Å; E950-K985 IonicContact OE2-NZ 2.65Å; E950-K985 PolarHBondContact OE2-NZ 3.38Å; E950-Q989 VanDerWaalsContact CD-NE2 3.31Å; E950-Q989 PolarHBondContact OE2-NE2 2.8Å
951	Y	91.7	Very high	88.5	Confident	46 Å²	46	30.4 Å²	30.4	18%	0.18	15%	0.15	C	C	.	.	S	Bend	trans	-110.9	-13.2	-179.1	-61	-84.1	0	0	0	114.2	A916 Y920 F949 P953 R954	A916-Y951 HydrophobicContact CB-CD2 3.91Å; A916-Y951 HydrophobicContact CB-CE2 3.93Å; A916-Y951 WeakPolarHBondContact O-CD2 3.39Å; Y920-Y951 AromaticContact CD1-CD1 3.74Å; Y920-Y951 HydrophobicContact CD1-CD1 3.74Å; Y920-Y951 AromaticContact CD1-CG 3.74Å; Y920-Y951 HydrophobicContact CD1-CG 3.74Å; Y920-Y951 AromaticContact CE1-CD1 3.6Å; Y920-Y951 HydrophobicContact CE1-CD1 3.6Å; Y920-Y951 HydrophobicContact CE1-CE1 4.39Å; Y920-Y951 HydrophobicContact CE1-CG 4.1Å; Y920-Y951 VanDerWaalsContact CG-CB 3.43Å; Y920-Y951 HydrophobicContact CG-CD1 4.4Å; Y920-Y951 HydrophobicContact CG-CG 4.1Å; F949-Y951 PolarHBondContact O-N 3.11Å; Y951-P953 VanDerWaalsContact C-CD 3.46Å; Y951-P953 VanDerWaalsContact C-N 3.33Å; Y951-R954 WeakPolarHBondContact O-CB 3.36Å; Y951-R954 WeakPolarHBondContact O-CG 3.35Å; Y951-R954 PolarHBondContact O-N 3.37Å
952	M	93.7	Very high	89	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-51.2	-40.9	-179.1	-155.4	-172.1	-59.8	0	0	114.3	G919 L927 I948 F949 R954 T955 G958 H959 F961 A962	G919-M952 WeakPolarHBondContact O-CA 3.37Å; G919-M952 WeakPolarHBondContact O-CB 3.48Å; G919-M952 WeakPolarHBondContact O-CG 3.35Å; G919-M952 PolarHBondContact O-N 3.27Å; L927-M952 HydrophobicContact CD1-CG 4.13Å; L927-M952 HydrophobicContact CD1-SD 4.47Å; L927-M952 HydrophobicContact CD2-CE 4.19Å; L927-M952 HydrophobicContact CD2-CG 3.97Å; L927-M952 HydrophobicContact CD2-SD 4.28Å; I948-M952 HydrophobicContact CG2-CE 3.6Å; I948-M952 WeakPolarHBondContact O-CE 3.47Å; F949-M952 HydrophobicContact CD1-CE 4.08Å; F949-M952 HydrophobicContact CD1-SD 4.28Å; F949-M952 HydrophobicContact CE1-CE 4.11Å; F949-M952 HydrophobicContact CE1-SD 4.26Å; M952-R954 PolarHBondContact O-N 2.88Å; M952-R954 VanDerWaalsContact O-N 3.14Å; M952-T955 PolarHBondContact O-N 3.27Å; M952-G958 CarbonylContact O-C 3.51Å; M952-G958 VanDerWaalsContact O-CA 3.28Å; M952-G958 WeakPolarHBondContact O-CA 3.38Å; M952-H959 PolarHBondContact O-N 2.91Å; M952-H959 VanDerWaalsContact O-N 3.16Å; M952-F961 HydrophobicContact SD-CD1 3.79Å; M952-F961 HydrophobicContact SD-CE1 4.45Å; M952-A962 HydrophobicContact CG-CB 4.36Å; M952-A962 HydrophobicContact SD-CB 3.77Å
953	P	89.7	Confident	89.4	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.019	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-77.1	5.5	179.6	-17.1	34.8	0	0	0	115.7	Q802 F949 Y951 H959 Q989 A990 N993	Q802-P953 PolarHBondContact NE2-O 3.09Å; F949-P953 WeakPolarHBondContact O-CD 3.44Å; Y951-P953 VanDerWaalsContact C-CD 3.46Å; Y951-P953 VanDerWaalsContact C-N 3.33Å; P953-H959 HydrophobicContact CB-CB 4.49Å; P953-H959 PolarHBondContact O-ND1 2.88Å; P953-H959 VanDerWaalsContact O-ND1 3.1Å; P953-Q989 WeakPolarHBondContact CG-O 3.27Å; P953-A990 VanDerWaalsContact CG-CA 3.45Å; P953-A990 WeakPolarHBondContact CG-O 3.26Å; P953-N993 PolarHBondContact O-ND2 3.19Å
954	R	89.4	Confident	89.9	Confident	46 Å²	46	26.7 Å²	26.7	17%	0.174	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-88.8	-13.6	174.7	-58.7	-75.4	172.1	-165.3	-3.5	113	V795 Y920 Y951 M952	V795-R954 VanDerWaalsContact CG1-NH1 3.35Å; V795-R954 PolarHBondContact O-NH1 2.86Å; Y920-R954 HydrophobicContact CD2-CB 4.08Å; Y920-R954 HydrophobicContact CE2-CB 3.39Å; Y920-R954 HydrophobicContact CE2-CG 4.06Å; Y951-R954 WeakPolarHBondContact O-CB 3.36Å; Y951-R954 WeakPolarHBondContact O-CG 3.35Å; Y951-R954 PolarHBondContact O-N 3.37Å; M952-R954 PolarHBondContact O-N 2.88Å; M952-R954 VanDerWaalsContact O-N 3.14Å
955	T	90.6	Very high	90.1	Very high	14 Å²	14	26.6 Å²	26.6	9%	0.086	14%	0.135	C	C	.	.	S	Bend	trans	-108.9	145.7	172.2	78.4	0	0	0	0	111	Y920 T921 M952 V957 G958 H959	Y920-T955 HydrophobicContact CD2-CG2 4.06Å; Y920-T955 HydrophobicContact CE2-CG2 4.43Å; Y920-T955 VanDerWaalsContact O-CG2 3.26Å; Y920-T955 WeakPolarHBondContact O-CG2 3.31Å; T921-T955 PolarHBondContact O-OG1 3.35Å; M952-T955 PolarHBondContact O-N 3.27Å; T955-V957 PolarHBondContact O-N 2.95Å; T955-V957 VanDerWaalsContact O-N 3.13Å; T955-G958 PolarHBondContact O-N 3.46Å; T955-G958 PolarHBondContact OG1-N 3.31Å; T955-H959 WeakPolarHBondContact O-CB 3.45Å; T955-H959 PolarHBondContact O-N 3.46Å
956	V	89	Confident	90	Very high	65 Å²	65	26.8 Å²	26.8	39%	0.394	14%	0.136	S	C	.	.	H	α-helix	trans	-58.2	-28	179.9	163.3	0	0	0	0	112.8	Q802 F803	Q802-V956 HydrophobicContact CB-CG2 4.38Å; Q802-V956 HydrophobicContact CG-CG2 4.22Å; F803-V956 HydrophobicContact CD1-CG1 4.1Å; F803-V956 HydrophobicContact CD1-CG2 4.01Å; F803-V956 HydrophobicContact CE1-CB 4.17Å; F803-V956 HydrophobicContact CE1-CG1 3.89Å; F803-V956 HydrophobicContact CE1-CG2 4Å
957	V	91.7	Very high	89.7	Confident	54 Å²	54	32.8 Å²	32.8	33%	0.327	16%	0.162	S	C	.	.	H	α-helix	trans	-82.7	-55.8	176.4	179	0	0	0	0	110.3	P922 L924 T955 H959 K960 F961	P922-V957 WeakPolarHBondContact O-CB 3.46Å; L924-V957 HydrophobicContact CB-CG1 4.05Å; L924-V957 HydrophobicContact CD1-CG1 4.3Å; T955-V957 PolarHBondContact O-N 2.95Å; T955-V957 VanDerWaalsContact O-N 3.13Å; V957-H959 VanDerWaalsContact C-N 3.28Å; V957-H959 PolarHBondContact O-N 3.07Å; V957-K960 PolarHBondContact O-N 2.94Å; V957-K960 VanDerWaalsContact O-N 3.13Å; V957-F961 PolarHBondContact O-N 2.96Å
958	G	92.4	Very high	89.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-34.4	-177.9	0	0	0	0	0	113.3	M952 T955 F961 A962	M952-G958 CarbonylContact O-C 3.51Å; M952-G958 VanDerWaalsContact O-CA 3.28Å; M952-G958 WeakPolarHBondContact O-CA 3.38Å; T955-G958 PolarHBondContact O-N 3.46Å; T955-G958 PolarHBondContact OG1-N 3.31Å; G958-F961 PolarHBondContact O-N 2.81Å; G958-A962 VanDerWaalsContact O-CB 3.24Å; G958-A962 WeakPolarHBondContact O-CB 3.29Å; G958-A962 PolarHBondContact O-N 2.96Å
959	H	88.5	Confident	89.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-46	174.1	-169.1	99.6	0	0	0	112.5	F803 M952 P953 T955 V957 W963 N993	F803-H959 HydrophobicContact CZ-CB 4.33Å; F803-H959 AromaticContact CZ-CD2 3.98Å; M952-H959 PolarHBondContact O-N 2.91Å; M952-H959 VanDerWaalsContact O-N 3.16Å; P953-H959 HydrophobicContact CB-CB 4.49Å; P953-H959 PolarHBondContact O-ND1 2.88Å; P953-H959 VanDerWaalsContact O-ND1 3.1Å; T955-H959 WeakPolarHBondContact O-CB 3.45Å; T955-H959 PolarHBondContact O-N 3.46Å; V957-H959 VanDerWaalsContact C-N 3.28Å; V957-H959 PolarHBondContact O-N 3.07Å; H959-W963 WeakPolarHBondContact O-CB 3.28Å; H959-W963 PolarHBondContact O-N 3.49Å; H959-N993 VanDerWaalsContact CE1-C 3.46Å
960	K	86.7	Confident	89	Confident	112 Å²	112	40 Å²	40	49%	0.487	21%	0.206	S	C	.	.	H	α-helix	trans	-68.6	-39.1	177.1	-70.5	-179.2	175.6	-173.2	0	111.3	V957 C964 M998	V957-K960 PolarHBondContact O-N 2.94Å; V957-K960 VanDerWaalsContact O-N 3.13Å; K960-C964 PolarHBondContact O-N 3.32Å; K960-C964 VanDerWaalsContact O-N 3.1Å; K960-C964 PolarHBondContact O-SG 2.85Å; K960-C964 VanDerWaalsContact O-SG 3.33Å; K960-M998 HydrophobicContact CG-CE 4.06Å
961	F	91.5	Very high	88.6	Confident	36 Å²	36	45.1 Å²	45.1	16%	0.158	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-50.2	179.2	-176.1	-111.9	0	0	0	112.3	L924 L927 E928 L931 M952 V957 G958 W963 C964 Y965	L924-F961 HydrophobicContact CD1-CB 4.14Å; L924-F961 HydrophobicContact CD1-CD2 3.51Å; L924-F961 HydrophobicContact CD1-CE2 4.07Å; L924-F961 HydrophobicContact CD1-CG 3.87Å; L927-F961 HydrophobicContact CB-CD1 3.62Å; L927-F961 HydrophobicContact CB-CE1 3.6Å; L927-F961 HydrophobicContact CB-CG 4.47Å; L927-F961 HydrophobicContact CB-CZ 4.45Å; L927-F961 HydrophobicContact CD1-CB 4.49Å; L927-F961 HydrophobicContact CD1-CD1 4.09Å; L927-F961 HydrophobicContact CG-CD1 4.46Å; E928-F961 HydrophobicContact CB-CZ 4.34Å; E928-F961 HydrophobicContact CG-CE2 3.75Å; E928-F961 HydrophobicContact CG-CZ 3.83Å; L931-F961 HydrophobicContact CD1-CD1 4.37Å; L931-F961 HydrophobicContact CD1-CE1 3.4Å; L931-F961 HydrophobicContact CD1-CZ 3.79Å; L931-F961 HydrophobicContact CG-CE1 4.16Å; M952-F961 HydrophobicContact SD-CD1 3.79Å; M952-F961 HydrophobicContact SD-CE1 4.45Å; V957-F961 PolarHBondContact O-N 2.96Å; G958-F961 PolarHBondContact O-N 2.81Å; F961-W963 VanDerWaalsContact C-N 3.29Å; F961-W963 PolarHBondContact O-N 3.04Å; F961-C964 PolarHBondContact O-N 2.94Å; F961-Y965 WeakPolarHBondContact O-CB 3.26Å; F961-Y965 PolarHBondContact O-N 2.91Å
962	A	91	Very high	88.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-54.4	-44.2	176	0	0	0	0	0	112.4	F949 M952 G958 Y965 I966	F949-A962 HydrophobicContact CD1-CB 3.92Å; F949-A962 HydrophobicContact CE1-CB 4.07Å; M952-A962 HydrophobicContact CG-CB 4.36Å; M952-A962 HydrophobicContact SD-CB 3.77Å; G958-A962 VanDerWaalsContact O-CB 3.24Å; G958-A962 WeakPolarHBondContact O-CB 3.29Å; G958-A962 PolarHBondContact O-N 2.96Å; A962-Y965 PolarHBondContact O-N 2.82Å; A962-I966 WeakPolarHBondContact O-CG1 3.15Å; A962-I966 PolarHBondContact O-N 2.85Å
963	W	83.9	Confident	88	Confident	24 Å²	24	48.7 Å²	48.7	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-51	178.1	-179.2	-138	0	0	0	112.4	H959 F961 Y965 K967 L991 M998 I999 W1001	H959-W963 WeakPolarHBondContact O-CB 3.28Å; H959-W963 PolarHBondContact O-N 3.49Å; F961-W963 VanDerWaalsContact C-N 3.29Å; F961-W963 PolarHBondContact O-N 3.04Å; W963-Y965 VanDerWaalsContact C-N 3.31Å; W963-Y965 PolarHBondContact O-N 2.81Å; W963-K967 WeakPolarHBondContact O-CB 3.2Å; W963-K967 PolarHBondContact O-N 2.9Å; W963-L991 HydrophobicContact CD2-CD2 4.42Å; W963-L991 HydrophobicContact CE3-CD2 3.39Å; W963-L991 HydrophobicContact CZ3-CD1 4.16Å; W963-L991 HydrophobicContact CZ3-CD2 3.66Å; W963-M998 VanDerWaalsContact CZ2-O 3.25Å; W963-M998 WeakPolarHBondContact CZ2-O 3.48Å; W963-M998 PolarHBondContact NE1-O 3.29Å; W963-I999 HydrophobicContact CH2-CG1 4.42Å; W963-I999 HydrophobicContact CZ2-CG1 4.19Å; W963-W1001 HydrophobicContact CD2-CZ2 4.44Å; W963-W1001 AromaticContact CE2-CZ2 3.93Å; W963-W1001 HydrophobicContact CE3-CH2 4.36Å; W963-W1001 HydrophobicContact CE3-CZ2 4.25Å; W963-W1001 AromaticContact CH2-CD2 3.81Å; W963-W1001 HydrophobicContact CH2-CD2 3.81Å; W963-W1001 AromaticContact CH2-CE2 3.41Å; W963-W1001 VanDerWaalsContact CH2-CE2 3.41Å; W963-W1001 AromaticContact CH2-CE3 3.91Å; W963-W1001 HydrophobicContact CH2-CE3 3.91Å; W963-W1001 AromaticContact CH2-CH2 3.31Å; W963-W1001 HydrophobicContact CH2-CH2 3.31Å; W963-W1001 AromaticContact CH2-CZ2 3.15Å; W963-W1001 HydrophobicContact CH2-CZ2 3.15Å; W963-W1001 AromaticContact CH2-CZ3 3.69Å; W963-W1001 HydrophobicContact CH2-CZ3 3.69Å; W963-W1001 AromaticContact CZ2-CD2 3.95Å; W963-W1001 HydrophobicContact CZ2-CD2 3.95Å; W963-W1001 AromaticContact CZ2-CE2 3.28Å; W963-W1001 HydrophobicContact CZ2-CG 4.49Å; W963-W1001 AromaticContact CZ2-CH2 3.99Å; W963-W1001 HydrophobicContact CZ2-CH2 3.99Å; W963-W1001 AromaticContact CZ2-CZ2 3.31Å; W963-W1001 HydrophobicContact CZ2-CZ2 3.31Å; W963-W1001 AromaticContact CZ2-NE1 3.45Å; W963-W1001 AromaticContact CZ3-CH2 3.51Å; W963-W1001 HydrophobicContact CZ3-CH2 3.51Å; W963-W1001 AromaticContact CZ3-CZ2 3.64Å; W963-W1001 HydrophobicContact CZ3-CZ2 3.64Å; W963-W1001 HydrophobicContact CZ3-CZ3 4.1Å
964	C	87.1	Confident	87.5	Confident	81 Å²	81	49.7 Å²	49.7	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-40.5	177.4	-71.5	0	0	0	0	112.1	K960 F961 K967 A968	K960-C964 PolarHBondContact O-N 3.32Å; K960-C964 VanDerWaalsContact O-N 3.1Å; K960-C964 PolarHBondContact O-SG 2.85Å; K960-C964 VanDerWaalsContact O-SG 3.33Å; F961-C964 PolarHBondContact O-N 2.94Å; C964-K967 PolarHBondContact O-N 3.3Å; C964-A968 WeakPolarHBondContact O-CB 3.26Å; C964-A968 PolarHBondContact O-N 3.48Å
965	Y	90.7	Very high	87	Confident	17 Å²	17	55.5 Å²	55.5	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-50	-179.6	-174.1	-92.9	0	0	0	112.8	L931 E935 F949 F961 A962 W963 K967 A968 H969 L973	L931-Y965 HydrophobicContact CB-CE2 3.99Å; L931-Y965 HydrophobicContact CD1-CD1 3.8Å; L931-Y965 HydrophobicContact CD1-CD2 3.37Å; L931-Y965 HydrophobicContact CD1-CE1 3.98Å; L931-Y965 HydrophobicContact CD1-CE2 3.57Å; L931-Y965 HydrophobicContact CD1-CG 3.48Å; L931-Y965 VanDerWaalsContact CD1-CG 3.48Å; L931-Y965 HydrophobicContact CD2-CE1 4.47Å; L931-Y965 HydrophobicContact CG-CE2 4.33Å; E935-Y965 WeakPolarHBondContact OE1-CE2 3.43Å; E935-Y965 VanDerWaalsContact OE1-CZ 3.28Å; E935-Y965 PolarHBondContact OE1-OH 3.45Å; F949-Y965 HydrophobicContact CE1-CD1 4.35Å; F949-Y965 AromaticContact CZ-CD1 3.75Å; F949-Y965 HydrophobicContact CZ-CD1 3.75Å; F949-Y965 HydrophobicContact CZ-CE1 4.13Å; F961-Y965 WeakPolarHBondContact O-CB 3.26Å; F961-Y965 PolarHBondContact O-N 2.91Å; A962-Y965 PolarHBondContact O-N 2.82Å; W963-Y965 VanDerWaalsContact C-N 3.31Å; W963-Y965 PolarHBondContact O-N 2.81Å; Y965-K967 VanDerWaalsContact C-N 3.29Å; Y965-K967 PolarHBondContact O-N 3.15Å; Y965-A968 PolarHBondContact O-N 2.93Å; Y965-H969 AromaticContact CD1-ND1 3.92Å; Y965-H969 AromaticContact CD2-CE1 3.52Å; Y965-H969 AromaticContact CD2-ND1 3.33Å; Y965-H969 VanDerWaalsContact CD2-ND1 3.33Å; Y965-H969 WeakPolarHBondContact CD2-ND1 3.44Å; Y965-H969 HydrophobicContact CE1-CB 4.4Å; Y965-H969 AromaticContact CE1-ND1 3.81Å; Y965-H969 AromaticContact CE2-CE1 3.32Å; Y965-H969 WeakPolarHBondContact CE2-CE1 3.36Å; Y965-H969 AromaticContact CE2-ND1 3.2Å; Y965-H969 WeakPolarHBondContact CE2-ND1 3.34Å; Y965-H969 AromaticContact CG-ND1 3.7Å; Y965-H969 AromaticContact CZ-CE1 3.98Å; Y965-H969 AromaticContact CZ-ND1 3.47Å; Y965-H969 PolarHBondContact O-N 3.43Å; Y965-H969 PolarHBondContact O-ND1 3.04Å; Y965-L973 HydrophobicContact CE1-CD1 4.39Å
966	I	87.1	Confident	86.4	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-36	178.9	-70.2	179.7	0	0	0	110.7	F949 A962 A968 W970 L973 L986 A990	F949-I966 HydrophobicContact CD1-CD1 4.26Å; F949-I966 HydrophobicContact CE1-CD1 4.2Å; F949-I966 HydrophobicContact CE1-CG1 4.19Å; F949-I966 HydrophobicContact CZ-CG1 4.5Å; A962-I966 WeakPolarHBondContact O-CG1 3.15Å; A962-I966 PolarHBondContact O-N 2.85Å; I966-A968 VanDerWaalsContact C-N 3.34Å; I966-A968 PolarHBondContact O-N 3.35Å; I966-W970 HydrophobicContact CG2-CE3 3.77Å; I966-W970 HydrophobicContact CG2-CZ3 4.08Å; I966-W970 WeakPolarHBondContact O-CA 3Å; I966-W970 WeakPolarHBondContact O-CB 3.29Å; I966-W970 PolarHBondContact O-N 3.41Å; I966-W970 VanDerWaalsContact O-N 3.09Å; I966-L973 HydrophobicContact CG1-CD1 4.25Å; I966-L986 HydrophobicContact CD1-CD2 3.68Å; I966-L986 HydrophobicContact CG1-CD2 4.37Å; I966-A990 HydrophobicContact CD1-CB 3.22Å
967	K	81.7	Confident	85.8	Confident	128 Å²	128	55.4 Å²	55.4	56%	0.557	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-41.3	173.8	-170	-175.8	-169.9	-176.2	0	112.2	W963 C964 Y965 W1001	W963-K967 WeakPolarHBondContact O-CB 3.2Å; W963-K967 PolarHBondContact O-N 2.9Å; C964-K967 PolarHBondContact O-N 3.3Å; Y965-K967 VanDerWaalsContact C-N 3.29Å; Y965-K967 PolarHBondContact O-N 3.15Å; K967-W1001 HydrophobicContact CB-CH2 4.39Å; K967-W1001 HydrophobicContact CB-CZ2 4.1Å; K967-W1001 HydrophobicContact CD-CZ2 3.68Å; K967-W1001 HydrophobicContact CG-CH2 4.11Å; K967-W1001 HydrophobicContact CG-CZ2 3.65Å
968	A	87.9	Confident	84.9	Confident	73 Å²	73	53.8 Å²	53.8	60%	0.603	27%	0.274	S	S	*	.	H	α-helix	trans	-71.5	-47.5	-179.5	0	0	0	0	0	112.5	C964 Y965 I966	C964-A968 WeakPolarHBondContact O-CB 3.26Å; C964-A968 PolarHBondContact O-N 3.48Å; Y965-A968 PolarHBondContact O-N 2.93Å; I966-A968 VanDerWaalsContact C-N 3.34Å; I966-A968 PolarHBondContact O-N 3.35Å
969	H	89.5	Confident	83.6	Confident	57 Å²	57	56.2 Å²	56.2	26%	0.264	29%	0.287	S	S	.	.	H	α-helix	trans	-99.8	13.3	-169.7	-52.6	100.3	0	0	0	114.2	Y965 K971 E972 L973	Y965-H969 AromaticContact CD1-ND1 3.92Å; Y965-H969 AromaticContact CD2-CE1 3.52Å; Y965-H969 AromaticContact CD2-ND1 3.33Å; Y965-H969 VanDerWaalsContact CD2-ND1 3.33Å; Y965-H969 WeakPolarHBondContact CD2-ND1 3.44Å; Y965-H969 HydrophobicContact CE1-CB 4.4Å; Y965-H969 AromaticContact CE1-ND1 3.81Å; Y965-H969 AromaticContact CE2-CE1 3.32Å; Y965-H969 WeakPolarHBondContact CE2-CE1 3.36Å; Y965-H969 AromaticContact CE2-ND1 3.2Å; Y965-H969 WeakPolarHBondContact CE2-ND1 3.34Å; Y965-H969 AromaticContact CG-ND1 3.7Å; Y965-H969 AromaticContact CZ-CE1 3.98Å; Y965-H969 AromaticContact CZ-ND1 3.47Å; Y965-H969 PolarHBondContact O-N 3.43Å; Y965-H969 PolarHBondContact O-ND1 3.04Å; H969-K971 VanDerWaalsContact C-N 3.32Å; H969-K971 PolarHBondContact O-N 2.87Å; H969-K971 VanDerWaalsContact O-N 3.16Å; H969-E972 IonicContact CD2-OE2 2.81Å; H969-E972 PolarHBondContact CD2-OE2 3.37Å; H969-E972 PolarHBondContact O-N 2.83Å; H969-L973 HydrophobicContact CB-CD1 4.2Å; H969-L973 HydrophobicContact CB-CG 4.21Å; H969-L973 WeakPolarHBondContact O-CG 3.38Å; H969-L973 PolarHBondContact O-N 2.81Å
970	W	84.4	Confident	82.6	Confident	28 Å²	28	57.8 Å²	57.8	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-48.3	-48.3	-173.9	-178.9	-100.1	0	0	0	113.7	I966 E972 L973 V974 F983 V987 F1007 L1017 L1021	I966-W970 HydrophobicContact CG2-CE3 3.77Å; I966-W970 HydrophobicContact CG2-CZ3 4.08Å; I966-W970 WeakPolarHBondContact O-CA 3Å; I966-W970 WeakPolarHBondContact O-CB 3.29Å; I966-W970 PolarHBondContact O-N 3.41Å; I966-W970 VanDerWaalsContact O-N 3.09Å; W970-E972 VanDerWaalsContact C-N 3.34Å; W970-E972 PolarHBondContact O-N 3.15Å; W970-L973 PolarHBondContact O-N 3.02Å; W970-V974 HydrophobicContact CD2-CG2 4.12Å; W970-V974 HydrophobicContact CG-CG2 4.39Å; W970-V974 HydrophobicContact CZ2-CG2 4.14Å; W970-V974 VanDerWaalsContact O-CB 3.31Å; W970-V974 WeakPolarHBondContact O-CB 3.49Å; W970-V974 VanDerWaalsContact O-CG2 3.23Å; W970-V974 WeakPolarHBondContact O-CG2 3.34Å; W970-V974 PolarHBondContact O-N 2.83Å; W970-F983 HydrophobicContact CH2-CE1 4.41Å; W970-F983 HydrophobicContact CH2-CZ 4.07Å; W970-F983 HydrophobicContact CZ3-CZ 4.05Å; W970-V987 HydrophobicContact CH2-CG1 4.4Å; W970-V987 HydrophobicContact CZ3-CG1 4.12Å; W970-V987 HydrophobicContact CZ3-CG2 4.1Å; W970-F1007 AromaticContact CD1-CE1 3.58Å; W970-F1007 HydrophobicContact CD2-CE1 4.02Å; W970-F1007 HydrophobicContact CD2-CZ 4.14Å; W970-F1007 AromaticContact CE2-CE1 3.62Å; W970-F1007 AromaticContact CE2-CZ 3.71Å; W970-F1007 AromaticContact CG-CE1 3.98Å; W970-F1007 HydrophobicContact CG-CE1 3.98Å; W970-F1007 HydrophobicContact CH2-CZ 4.47Å; W970-F1007 HydrophobicContact CZ2-CE1 4.22Å; W970-F1007 AromaticContact CZ2-CZ 3.88Å; W970-F1007 HydrophobicContact CZ2-CZ 3.88Å; W970-F1007 AromaticContact NE1-CE1 3.32Å; W970-F1007 VanDerWaalsContact NE1-CE1 3.32Å; W970-F1007 AromaticContact NE1-CZ 3.9Å; W970-L1017 HydrophobicContact CZ2-CD1 3.97Å; W970-L1021 HydrophobicContact CH2-CD2 4.02Å; W970-L1021 HydrophobicContact CZ2-CD2 4.33Å
971	K	83.4	Confident	81.6	Confident	160 Å²	160	56.8 Å²	56.8	70%	0.696	30%	0.296	S	S	*	.	H	α-helix	trans	-63.7	-39.1	-178	-66.4	-168.5	175.4	-168.3	0	112.3	H969 Q975	H969-K971 VanDerWaalsContact C-N 3.32Å; H969-K971 PolarHBondContact O-N 2.87Å; H969-K971 VanDerWaalsContact O-N 3.16Å; K971-Q975 VanDerWaalsContact O-CB 3.28Å; K971-Q975 WeakPolarHBondContact O-CB 3.24Å; K971-Q975 PolarHBondContact O-N 2.85Å
972	E	85.8	Confident	80.8	Confident	118 Å²	118	57.2 Å²	57.2	55%	0.551	30%	0.297	S	S	*	.	H	α-helix	trans	-73.8	-41.2	-179.4	-60.5	175.4	161.7	0	0	111.2	H969 W970 Q975 T976	H969-E972 IonicContact CD2-OE2 2.81Å; H969-E972 PolarHBondContact CD2-OE2 3.37Å; H969-E972 PolarHBondContact O-N 2.83Å; W970-E972 VanDerWaalsContact C-N 3.34Å; W970-E972 PolarHBondContact O-N 3.15Å; E972-Q975 PolarHBondContact O-N 2.9Å; E972-T976 VanDerWaalsContact O-CB 3.26Å; E972-T976 WeakPolarHBondContact O-CB 3.34Å; E972-T976 PolarHBondContact O-N 3.03Å; E972-T976 PolarHBondContact O-OG1 2.9Å
973	L	85.2	Confident	80.2	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-64	-43	175	-66	170.8	0	0	0	111.5	Y934 I945 Y965 I966 H969 W970 T976 H977 F983	Y934-L973 HydrophobicContact CE1-CD2 4.41Å; I945-L973 HydrophobicContact CD1-CD2 3.65Å; Y965-L973 HydrophobicContact CE1-CD1 4.39Å; I966-L973 HydrophobicContact CG1-CD1 4.25Å; H969-L973 HydrophobicContact CB-CD1 4.2Å; H969-L973 HydrophobicContact CB-CG 4.21Å; H969-L973 WeakPolarHBondContact O-CG 3.38Å; H969-L973 PolarHBondContact O-N 2.81Å; W970-L973 PolarHBondContact O-N 3.02Å; L973-T976 PolarHBondContact O-N 2.84Å; L973-H977 PolarHBondContact O-N 2.9Å; L973-F983 HydrophobicContact CB-CE2 3.93Å
974	V	80	Confident	79.7	Confident	24 Å²	24	57.3 Å²	57.3	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-41.6	173.6	167.3	0	0	0	0	111.4	W970 T976 G978 F983 L1017	W970-V974 HydrophobicContact CD2-CG2 4.12Å; W970-V974 HydrophobicContact CG-CG2 4.39Å; W970-V974 HydrophobicContact CZ2-CG2 4.14Å; W970-V974 VanDerWaalsContact O-CB 3.31Å; W970-V974 WeakPolarHBondContact O-CB 3.49Å; W970-V974 VanDerWaalsContact O-CG2 3.23Å; W970-V974 WeakPolarHBondContact O-CG2 3.34Å; W970-V974 PolarHBondContact O-N 2.83Å; V974-T976 VanDerWaalsContact C-N 3.35Å; V974-T976 PolarHBondContact O-N 2.98Å; V974-G978 WeakPolarHBondContact O-CA 3.41Å; V974-G978 PolarHBondContact O-N 3.27Å; V974-F983 HydrophobicContact CG2-CE1 4.33Å; V974-F983 HydrophobicContact CG2-CE2 4.09Å; V974-F983 HydrophobicContact CG2-CZ 3.58Å; V974-L1017 HydrophobicContact CG1-CD1 3.97Å; V974-L1017 HydrophobicContact CG2-CD1 3.75Å
975	Q	78	Confident	79.2	Confident	169 Å²	169	57.1 Å²	57.1	79%	0.79	29%	0.289	S	S	*	.	H	α-helix	trans	-68	-32.8	177.2	-176.1	175.5	-4	0	0	113	K971 E972	K971-Q975 VanDerWaalsContact O-CB 3.28Å; K971-Q975 WeakPolarHBondContact O-CB 3.24Å; K971-Q975 PolarHBondContact O-N 2.85Å; E972-Q975 PolarHBondContact O-N 2.9Å
976	T	78.6	Confident	79	Confident	68 Å²	68	56.3 Å²	56.3	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-89.8	-36	-172.9	-53.6	0	0	0	0	113.3	E972 L973 V974	E972-T976 VanDerWaalsContact O-CB 3.26Å; E972-T976 WeakPolarHBondContact O-CB 3.34Å; E972-T976 PolarHBondContact O-N 3.03Å; E972-T976 PolarHBondContact O-OG1 2.9Å; L973-T976 PolarHBondContact O-N 2.84Å; V974-T976 VanDerWaalsContact C-N 3.35Å; V974-T976 PolarHBondContact O-N 2.98Å
977	H	77.7	Confident	78.7	Confident	9 Å²	9	56.2 Å²	56.2	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-128.5	-0.5	-171.8	-50.8	-78.5	0	0	0	113.8	Y934 L973 T980 F983	Y934-H977 AromaticContact CE2-NE2 3.88Å; Y934-H977 AromaticContact CZ-NE2 3.84Å; Y934-H977 PolarHBondContact OH-NE2 3.29Å; L973-H977 PolarHBondContact O-N 2.9Å; H977-T980 WeakPolarHBondContact O-CB 3.5Å; H977-T980 WeakPolarHBondContact O-CG2 3.31Å; H977-T980 PolarHBondContact O-N 2.89Å; H977-T980 PolarHBondContact O-OG1 2.88Å; H977-F983 HydrophobicContact CB-CB 4.05Å; H977-F983 HydrophobicContact CB-CD2 4.11Å; H977-F983 WeakPolarHBondContact O-CB 3.33Å
978	G	71.6	Confident	78.6	Confident	20 Å²	20	52.7 Å²	52.7	21%	0.206	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	154.2	-180	0	0	0	0	0	113.6	V974 T980 Y1016	V974-G978 WeakPolarHBondContact O-CA 3.41Å; V974-G978 PolarHBondContact O-N 3.27Å; G978-T980 PolarHBondContact O-N 2.93Å; G978-Y1016 WeakPolarHBondContact CA-OH 3.26Å
979	N	65.5	Low	78.4	Confident	50 Å²	50	50.9 Å²	50.9	27%	0.267	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	18.3	-173.3	-150.9	33.1	0	0	0	115.1	Y1016	N979-Y1016 HydrophobicContact CB-CD2 4.48Å; N979-Y1016 HydrophobicContact CB-CE2 4.33Å
980	T	67.2	Low	78	Confident	35 Å²	35	48.2 Å²	48.2	22%	0.215	24%	0.237	C	C	.	.	S	Bend	trans	-110.2	152.3	174.1	72.7	0	0	0	0	113	H977 G978 Y982 F983 D984	H977-T980 WeakPolarHBondContact O-CB 3.5Å; H977-T980 WeakPolarHBondContact O-CG2 3.31Å; H977-T980 PolarHBondContact O-N 2.89Å; H977-T980 PolarHBondContact O-OG1 2.88Å; G978-T980 PolarHBondContact O-N 2.93Å; T980-Y982 HydrophobicContact CG2-CD2 4.14Å; T980-Y982 HydrophobicContact CG2-CE2 4.22Å; T980-Y982 PolarHBondContact O-N 3.01Å; T980-Y982 WeakPolarHBondContact OG1-CD2 3.4Å; T980-F983 PolarHBondContact O-N 2.84Å; T980-F983 PolarHBondContact OG1-N 2.83Å; T980-D984 PolarHBondContact O-N 3.24Å
981	L	66.4	Low	77.8	Confident	91 Å²	91	47.3 Å²	47.3	48%	0.476	23%	0.234	S	C	.	.	H	α-helix	trans	-58.7	-32.4	172.4	-175.8	64.6	0	0	0	112.3	D984 K985	L981-D984 PolarHBondContact O-N 2.62Å; L981-K985 WeakPolarHBondContact O-CB 3.39Å; L981-K985 PolarHBondContact O-N 2.92Å
982	Y	73.8	Confident	77.6	Confident	44 Å²	44	41.5 Å²	41.5	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-35.2	-179	-26.5	-67.7	0	0	0	112	N465 A946 T980 K985 L986	N465-Y982 PolarHBondContact OD1-OH 3.05Å; A946-Y982 WeakPolarHBondContact CB-O 3.42Å; T980-Y982 HydrophobicContact CG2-CD2 4.14Å; T980-Y982 HydrophobicContact CG2-CE2 4.22Å; T980-Y982 PolarHBondContact O-N 3.01Å; T980-Y982 WeakPolarHBondContact OG1-CD2 3.4Å; Y982-K985 PolarHBondContact O-N 3.05Å; Y982-L986 WeakPolarHBondContact O-CB 3.38Å; Y982-L986 PolarHBondContact O-N 2.92Å
983	F	78.5	Confident	77.2	Confident	5 Å²	5	35.9 Å²	35.9	2%	0.022	19%	0.186	C	C	.	.	H	α-helix	trans	-70.7	-40.6	175.5	-179.6	-90.6	0	0	0	112	W970 L973 V974 H977 T980 K985 L986 V987 L1017 L1020	W970-F983 HydrophobicContact CH2-CE1 4.41Å; W970-F983 HydrophobicContact CH2-CZ 4.07Å; W970-F983 HydrophobicContact CZ3-CZ 4.05Å; L973-F983 HydrophobicContact CB-CE2 3.93Å; V974-F983 HydrophobicContact CG2-CE1 4.33Å; V974-F983 HydrophobicContact CG2-CE2 4.09Å; V974-F983 HydrophobicContact CG2-CZ 3.58Å; H977-F983 HydrophobicContact CB-CB 4.05Å; H977-F983 HydrophobicContact CB-CD2 4.11Å; H977-F983 WeakPolarHBondContact O-CB 3.33Å; T980-F983 PolarHBondContact O-N 2.84Å; T980-F983 PolarHBondContact OG1-N 2.83Å; F983-K985 VanDerWaalsContact C-N 3.33Å; F983-K985 PolarHBondContact O-N 2.89Å; F983-L986 PolarHBondContact O-N 3.11Å; F983-V987 HydrophobicContact CD1-CG2 4.13Å; F983-V987 HydrophobicContact CD2-CG2 4.31Å; F983-V987 HydrophobicContact CE1-CG2 3.66Å; F983-V987 HydrophobicContact CE2-CG2 3.88Å; F983-V987 HydrophobicContact CG-CG2 4.43Å; F983-V987 HydrophobicContact CZ-CG2 3.54Å; F983-V987 WeakPolarHBondContact O-CG2 3.49Å; F983-V987 PolarHBondContact O-N 2.77Å; F983-L1017 HydrophobicContact CD1-CD2 4.19Å; F983-L1017 HydrophobicContact CE1-CD2 3.48Å; F983-L1017 VanDerWaalsContact CE1-CD2 3.48Å; F983-L1017 HydrophobicContact CZ-CD2 4.31Å; F983-L1020 HydrophobicContact CD1-CD2 4.28Å; F983-L1020 HydrophobicContact CE1-CD2 4Å
984	D	73.5	Confident	76.8	Confident	21 Å²	21	35.8 Å²	35.8	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-44.8	170.6	177.6	62	0	0	0	111.3	T582 T980 L981 K988	T582-D984 WeakPolarHBondContact CB-OD1 3.44Å; T582-D984 HydrophobicContact CG2-CB 4.25Å; T582-D984 WeakPolarHBondContact CG2-OD1 3.29Å; T980-D984 PolarHBondContact O-N 3.24Å; L981-D984 PolarHBondContact O-N 2.62Å; D984-K988 VanDerWaalsContact O-CB 3.32Å; D984-K988 WeakPolarHBondContact O-CB 3.33Å; D984-K988 WeakPolarHBondContact O-CD 3.41Å; D984-K988 VanDerWaalsContact O-CG 3.31Å; D984-K988 WeakPolarHBondContact O-CG 3.44Å; D984-K988 PolarHBondContact O-N 2.7Å; D984-K988 VanDerWaalsContact O-N 3.07Å; D984-K988 WeakPolarHBondContact OD1-CE 3.25Å; D984-K988 IonicContact OD1-NZ 3.26Å; D984-K988 PolarHBondContact OD1-NZ 3.49Å; D984-K988 IonicContact OD2-NZ 2.7Å; D984-K988 PolarHBondContact OD2-NZ 3.07Å
985	K	77.6	Confident	76.5	Confident	77 Å²	77	35.1 Å²	35.1	34%	0.335	18%	0.181	S	C	.	.	H	α-helix	trans	-57	-53.2	172.8	-175	-174	169.8	-171.6	0	111.3	A946 E950 L981 Y982 F983 V987 K988 Q989	A946-K985 HydrophobicContact CB-CB 4.09Å; A946-K985 HydrophobicContact CB-CD 3.79Å; A946-K985 HydrophobicContact CB-CG 3.96Å; E950-K985 WeakPolarHBondContact OE2-CE 3.5Å; E950-K985 IonicContact OE2-NZ 2.65Å; E950-K985 PolarHBondContact OE2-NZ 3.38Å; L981-K985 WeakPolarHBondContact O-CB 3.39Å; L981-K985 PolarHBondContact O-N 2.92Å; Y982-K985 PolarHBondContact O-N 3.05Å; F983-K985 VanDerWaalsContact C-N 3.33Å; F983-K985 PolarHBondContact O-N 2.89Å; K985-V987 PolarHBondContact O-N 3.19Å; K985-K988 PolarHBondContact O-N 3.03Å; K985-Q989 HydrophobicContact CG-CG 4.35Å; K985-Q989 WeakPolarHBondContact O-CB 3.39Å; K985-Q989 VanDerWaalsContact O-CG 3.25Å; K985-Q989 WeakPolarHBondContact O-CG 3.39Å; K985-Q989 PolarHBondContact O-N 3.3Å
986	L	85.5	Confident	75.8	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-54.5	-53.5	-179.2	177.4	150.3	0	0	0	111.9	I945 A946 F949 I966 Y982 F983 Q989 A990	I945-L986 HydrophobicContact CB-CD1 4.18Å; I945-L986 HydrophobicContact CD1-CD1 3.66Å; I945-L986 HydrophobicContact CG1-CD1 3.63Å; I945-L986 HydrophobicContact CG2-CD1 3.79Å; A946-L986 HydrophobicContact CB-CB 4.11Å; F949-L986 HydrophobicContact CB-CG 4.43Å; F949-L986 HydrophobicContact CD2-CD1 3.63Å; F949-L986 HydrophobicContact CD2-CD2 4.48Å; F949-L986 HydrophobicContact CD2-CG 3.75Å; F949-L986 HydrophobicContact CE2-CD1 3.86Å; F949-L986 HydrophobicContact CE2-CG 4.32Å; F949-L986 HydrophobicContact CG-CG 4.19Å; I966-L986 HydrophobicContact CD1-CD2 3.68Å; I966-L986 HydrophobicContact CG1-CD2 4.37Å; Y982-L986 WeakPolarHBondContact O-CB 3.38Å; Y982-L986 PolarHBondContact O-N 2.92Å; F983-L986 PolarHBondContact O-N 3.11Å; L986-Q989 PolarHBondContact O-N 3.03Å; L986-A990 VanDerWaalsContact O-CB 3.26Å; L986-A990 WeakPolarHBondContact O-CB 3.39Å; L986-A990 PolarHBondContact O-N 3.04Å
987	V	81.7	Confident	74.6	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.7	-37.8	-172.6	179.6	0	0	0	0	110.7	W970 F983 K985 L991 L1020 I1024	W970-V987 HydrophobicContact CH2-CG1 4.4Å; W970-V987 HydrophobicContact CZ3-CG1 4.12Å; W970-V987 HydrophobicContact CZ3-CG2 4.1Å; F983-V987 HydrophobicContact CD1-CG2 4.13Å; F983-V987 HydrophobicContact CD2-CG2 4.31Å; F983-V987 HydrophobicContact CE1-CG2 3.66Å; F983-V987 HydrophobicContact CE2-CG2 3.88Å; F983-V987 HydrophobicContact CG-CG2 4.43Å; F983-V987 HydrophobicContact CZ-CG2 3.54Å; F983-V987 WeakPolarHBondContact O-CG2 3.49Å; F983-V987 PolarHBondContact O-N 2.77Å; K985-V987 PolarHBondContact O-N 3.19Å; V987-L991 HydrophobicContact CG1-CD1 3.8Å; V987-L991 WeakPolarHBondContact O-CB 3.45Å; V987-L991 VanDerWaalsContact O-CG 3.28Å; V987-L991 WeakPolarHBondContact O-CG 3.41Å; V987-L991 PolarHBondContact O-N 2.79Å; V987-L1020 HydrophobicContact CB-CD1 4.2Å; V987-L1020 HydrophobicContact CB-CD2 4.04Å; V987-L1020 HydrophobicContact CG1-CD1 4.07Å; V987-L1020 HydrophobicContact CG1-CD2 4.13Å; V987-L1020 HydrophobicContact CG1-CG 4.21Å; V987-L1020 HydrophobicContact CG2-CD2 4.43Å; V987-I1024 HydrophobicContact CG1-CD1 3.74Å
988	K	78.8	Confident	73.7	Confident	55 Å²	55	34.2 Å²	34.2	24%	0.239	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-45.5	172.5	-77.5	170	172.2	162.7	0	112.5	T582 D984 K985 L991 T992 L1020	T582-K988 PolarHBondContact O-NZ 3.42Å; D984-K988 VanDerWaalsContact O-CB 3.32Å; D984-K988 WeakPolarHBondContact O-CB 3.33Å; D984-K988 WeakPolarHBondContact O-CD 3.41Å; D984-K988 VanDerWaalsContact O-CG 3.31Å; D984-K988 WeakPolarHBondContact O-CG 3.44Å; D984-K988 PolarHBondContact O-N 2.7Å; D984-K988 VanDerWaalsContact O-N 3.07Å; D984-K988 WeakPolarHBondContact OD1-CE 3.25Å; D984-K988 IonicContact OD1-NZ 3.26Å; D984-K988 PolarHBondContact OD1-NZ 3.49Å; D984-K988 IonicContact OD2-NZ 2.7Å; D984-K988 PolarHBondContact OD2-NZ 3.07Å; K985-K988 PolarHBondContact O-N 3.03Å; K988-L991 PolarHBondContact O-N 2.92Å; K988-T992 PolarHBondContact O-N 3.11Å; K988-T992 PolarHBondContact O-OG1 2.97Å; K988-L1020 HydrophobicContact CG-CD1 3.78Å
989	Q	82.9	Confident	72.8	Confident	35 Å²	35	34.5 Å²	34.5	16%	0.164	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-56.8	-179.6	-76.6	179.9	-33.8	0	0	110.7	A946 E950 P953 K985 L986 L991 T992	A946-Q989 PolarHBondContact O-OE1 3.17Å; A946-Q989 VanDerWaalsContact O-OE1 3.11Å; E950-Q989 VanDerWaalsContact CD-NE2 3.31Å; E950-Q989 PolarHBondContact OE2-NE2 2.8Å; P953-Q989 WeakPolarHBondContact CG-O 3.27Å; K985-Q989 HydrophobicContact CG-CG 4.35Å; K985-Q989 WeakPolarHBondContact O-CB 3.39Å; K985-Q989 VanDerWaalsContact O-CG 3.25Å; K985-Q989 WeakPolarHBondContact O-CG 3.39Å; K985-Q989 PolarHBondContact O-N 3.3Å; L986-Q989 PolarHBondContact O-N 3.03Å; Q989-L991 PolarHBondContact O-N 3.08Å; Q989-T992 WeakPolarHBondContact O-CB 3.26Å; Q989-T992 PolarHBondContact O-N 3.27Å; Q989-T992 VanDerWaalsContact O-N 3.11Å; Q989-T992 PolarHBondContact O-OG1 2.86Å
990	A	82	Confident	71.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-50.3	-33.4	178.8	0	0	0	0	0	113.4	F949 P953 I966 L986	F949-A990 HydrophobicContact CB-CB 4.09Å; F949-A990 HydrophobicContact CD1-CB 3.86Å; F949-A990 HydrophobicContact CG-CB 4.24Å; P953-A990 VanDerWaalsContact CG-CA 3.45Å; P953-A990 WeakPolarHBondContact CG-O 3.26Å; I966-A990 HydrophobicContact CD1-CB 3.22Å; L986-A990 VanDerWaalsContact O-CB 3.26Å; L986-A990 WeakPolarHBondContact O-CB 3.39Å; L986-A990 PolarHBondContact O-N 3.04Å
991	L	80.5	Confident	71.1	Confident	9 Å²	9	40 Å²	40	5%	0.047	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	12.7	-173	-51.1	178.7	0	0	0	114.3	W963 V987 K988 Q989 N993 V994 I1024	W963-L991 HydrophobicContact CD2-CD2 4.42Å; W963-L991 HydrophobicContact CE3-CD2 3.39Å; W963-L991 HydrophobicContact CZ3-CD1 4.16Å; W963-L991 HydrophobicContact CZ3-CD2 3.66Å; V987-L991 HydrophobicContact CG1-CD1 3.8Å; V987-L991 WeakPolarHBondContact O-CB 3.45Å; V987-L991 VanDerWaalsContact O-CG 3.28Å; V987-L991 WeakPolarHBondContact O-CG 3.41Å; V987-L991 PolarHBondContact O-N 2.79Å; K988-L991 PolarHBondContact O-N 2.92Å; Q989-L991 PolarHBondContact O-N 3.08Å; L991-N993 VanDerWaalsContact C-N 3.35Å; L991-N993 PolarHBondContact O-N 3.23Å; L991-V994 HydrophobicContact CB-CG2 3.95Å; L991-V994 HydrophobicContact CD2-CG2 3.97Å; L991-V994 WeakPolarHBondContact O-CG2 3.46Å; L991-V994 PolarHBondContact O-N 2.73Å; L991-I1024 HydrophobicContact CB-CG1 4.22Å; L991-I1024 HydrophobicContact CB-CG2 4.03Å; L991-I1024 HydrophobicContact CD1-CD1 3.79Å; L991-I1024 HydrophobicContact CD1-CG1 4.22Å; L991-I1024 HydrophobicContact CD1-CG2 4.08Å
992	T	78.7	Confident	70.1	Confident	37 Å²	37	40.3 Å²	40.3	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.6	-174.9	-75.2	0	0	0	0	114.9	K988 Q989 R1027 N1031	K988-T992 PolarHBondContact O-N 3.11Å; K988-T992 PolarHBondContact O-OG1 2.97Å; Q989-T992 WeakPolarHBondContact O-CB 3.26Å; Q989-T992 PolarHBondContact O-N 3.27Å; Q989-T992 VanDerWaalsContact O-N 3.11Å; Q989-T992 PolarHBondContact O-OG1 2.86Å; T992-R1027 WeakPolarHBondContact O-CG 3.35Å; T992-R1027 PolarHBondContact O-NE 3.16Å; T992-N1031 PolarHBondContact O-ND2 2.92Å
993	N	78.3	Confident	68.7	Low	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	5	-172.6	-68.7	-28.2	0	0	0	113.9	P953 H959 L991 N1031	P953-N993 PolarHBondContact O-ND2 3.19Å; H959-N993 VanDerWaalsContact CE1-C 3.46Å; L991-N993 VanDerWaalsContact C-N 3.35Å; L991-N993 PolarHBondContact O-N 3.23Å; N993-N1031 VanDerWaalsContact C-ND2 3.34Å
994	V	75.2	Confident	67.1	Low	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.226	C	C	.	.			trans	-72.5	150.5	-171.4	-164.6	0	0	0	0	110.3	L991 M998 I999 S1028 N1031	L991-V994 HydrophobicContact CB-CG2 3.95Å; L991-V994 HydrophobicContact CD2-CG2 3.97Å; L991-V994 WeakPolarHBondContact O-CG2 3.46Å; L991-V994 PolarHBondContact O-N 2.73Å; V994-M998 HydrophobicContact CG1-CB 3.73Å; V994-I999 HydrophobicContact CB-CD1 4.15Å; V994-I999 HydrophobicContact CB-CG1 4.45Å; V994-I999 HydrophobicContact CG1-CD1 3.62Å; V994-I999 HydrophobicContact CG1-CG1 3.43Å; V994-I999 VanDerWaalsContact CG1-CG1 3.43Å; V994-S1028 WeakPolarHBondContact O-CA 3.22Å; V994-N1031 WeakPolarHBondContact O-CB 3.38Å; V994-N1031 PolarHBondContact O-ND2 2.86Å
995	H	74.4	Confident	65.7	Low	10 Å²	10	48.7 Å²	48.7	5%	0.046	25%	0.25	C	C	.	.			trans	-150.7	157.8	-178.3	58.6	64.4	0	0	0	112.7	F803 E997 M998 S1028 N1031 L1035	F803-H995 AromaticContact CD2-NE2 3.25Å; F803-H995 WeakPolarHBondContact CD2-NE2 3.19Å; F803-H995 AromaticContact CE2-NE2 3.62Å; H995-E997 PolarHBondContact O-N 2.77Å; H995-M998 WeakPolarHBondContact O-CB 3.22Å; H995-M998 PolarHBondContact O-N 2.69Å; H995-S1028 WeakPolarHBondContact CA-OG 3.41Å; H995-N1031 HydrophobicContact CB-CB 3.95Å; H995-L1035 HydrophobicContact CB-CD2 4.41Å
996	G	63.3	Low	64.3	Low	23 Å²	23	47.5 Å²	47.5	24%	0.237	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	34.7	-112.5	156.6	0	0	0	0	0	115.7	M998 I999 D1000 T1032	G996-M998 PolarHBondContact O-N 3.34Å; G996-I999 CarbonylContact O-C 3.55Å; G996-I999 VanDerWaalsContact O-CA 3.29Å; G996-I999 WeakPolarHBondContact O-CA 3.06Å; G996-I999 PolarHBondContact O-N 2.9Å; G996-D1000 PolarHBondContact O-N 3.49Å; G996-T1032 WeakPolarHBondContact CA-OG1 3.47Å; G996-T1032 PolarHBondContact N-OG1 3.22Å
997	E	54.5	Low	62.6	Low	169 Å²	169	48.8 Å²	48.8	79%	0.79	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-53.9	-21.2	-178.4	-57.9	171.9	169.1	0	0	115.2	H995 I999	H995-E997 PolarHBondContact O-N 2.77Å; E997-I999 VanDerWaalsContact C-N 3.34Å
998	M	57.8	Low	60.8	Low	35 Å²	35	53 Å²	53	17%	0.172	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-80.1	-20.8	173.5	-57.8	-160.3	65.2	0	0	112.2	F803 K960 W963 V994 H995 G996	F803-M998 HydrophobicContact CE2-SD 3.95Å; F803-M998 HydrophobicContact CZ-SD 3.98Å; K960-M998 HydrophobicContact CG-CE 4.06Å; W963-M998 VanDerWaalsContact CZ2-O 3.25Å; W963-M998 WeakPolarHBondContact CZ2-O 3.48Å; W963-M998 PolarHBondContact NE1-O 3.29Å; V994-M998 HydrophobicContact CG1-CB 3.73Å; H995-M998 WeakPolarHBondContact O-CB 3.22Å; H995-M998 PolarHBondContact O-N 2.69Å; G996-M998 PolarHBondContact O-N 3.34Å
999	I	52.4	Low	58.9	Low	26 Å²	26	51.9 Å²	51.9	13%	0.133	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-121	59.7	173.2	-35.3	-167.7	0	0	0	110.2	W963 V994 G996 E997 W1001 I1024 S1028	W963-I999 HydrophobicContact CH2-CG1 4.42Å; W963-I999 HydrophobicContact CZ2-CG1 4.19Å; V994-I999 HydrophobicContact CB-CD1 4.15Å; V994-I999 HydrophobicContact CB-CG1 4.45Å; V994-I999 HydrophobicContact CG1-CD1 3.62Å; V994-I999 HydrophobicContact CG1-CG1 3.43Å; V994-I999 VanDerWaalsContact CG1-CG1 3.43Å; G996-I999 CarbonylContact O-C 3.55Å; G996-I999 VanDerWaalsContact O-CA 3.29Å; G996-I999 WeakPolarHBondContact O-CA 3.06Å; G996-I999 PolarHBondContact O-N 2.9Å; E997-I999 VanDerWaalsContact C-N 3.34Å; I999-W1001 HydrophobicContact CG2-CB 3.7Å; I999-W1001 HydrophobicContact CG2-CG 4.06Å; I999-W1001 PolarHBondContact O-N 2.98Å; I999-I1024 HydrophobicContact CD1-CG2 4.31Å; I999-S1028 WeakPolarHBondContact CD1-OG 3.14Å
1000	D	47.1	Very low	57	Low	146 Å²	146	53.9 Å²	53.9	78%	0.781	31%	0.31	S	S	*	.			trans	-64.9	10.7	151.9	-80.8	-14.8	0	0	0	111.9	G996 N1002	G996-D1000 PolarHBondContact O-N 3.49Å; D1000-N1002 PolarHBondContact O-N 2.93Å
1001	W	49.7	Very low	55.3	Low	54 Å²	54	60.4 Å²	60.4	21%	0.205	35%	0.345	C	S	.	.			trans	-76	115.6	163.8	-48.6	9.9	0	0	0	108.8	W963 K967 I999 V1003 A1006 F1007	W963-W1001 HydrophobicContact CD2-CZ2 4.44Å; W963-W1001 AromaticContact CE2-CZ2 3.93Å; W963-W1001 HydrophobicContact CE3-CH2 4.36Å; W963-W1001 HydrophobicContact CE3-CZ2 4.25Å; W963-W1001 AromaticContact CH2-CD2 3.81Å; W963-W1001 HydrophobicContact CH2-CD2 3.81Å; W963-W1001 AromaticContact CH2-CE2 3.41Å; W963-W1001 VanDerWaalsContact CH2-CE2 3.41Å; W963-W1001 AromaticContact CH2-CE3 3.91Å; W963-W1001 HydrophobicContact CH2-CE3 3.91Å; W963-W1001 AromaticContact CH2-CH2 3.31Å; W963-W1001 HydrophobicContact CH2-CH2 3.31Å; W963-W1001 AromaticContact CH2-CZ2 3.15Å; W963-W1001 HydrophobicContact CH2-CZ2 3.15Å; W963-W1001 AromaticContact CH2-CZ3 3.69Å; W963-W1001 HydrophobicContact CH2-CZ3 3.69Å; W963-W1001 AromaticContact CZ2-CD2 3.95Å; W963-W1001 HydrophobicContact CZ2-CD2 3.95Å; W963-W1001 AromaticContact CZ2-CE2 3.28Å; W963-W1001 HydrophobicContact CZ2-CG 4.49Å; W963-W1001 AromaticContact CZ2-CH2 3.99Å; W963-W1001 HydrophobicContact CZ2-CH2 3.99Å; W963-W1001 AromaticContact CZ2-CZ2 3.31Å; W963-W1001 HydrophobicContact CZ2-CZ2 3.31Å; W963-W1001 AromaticContact CZ2-NE1 3.45Å; W963-W1001 AromaticContact CZ3-CH2 3.51Å; W963-W1001 HydrophobicContact CZ3-CH2 3.51Å; W963-W1001 AromaticContact CZ3-CZ2 3.64Å; W963-W1001 HydrophobicContact CZ3-CZ2 3.64Å; W963-W1001 HydrophobicContact CZ3-CZ3 4.1Å; K967-W1001 HydrophobicContact CB-CH2 4.39Å; K967-W1001 HydrophobicContact CB-CZ2 4.1Å; K967-W1001 HydrophobicContact CD-CZ2 3.68Å; K967-W1001 HydrophobicContact CG-CH2 4.11Å; K967-W1001 HydrophobicContact CG-CZ2 3.65Å; I999-W1001 HydrophobicContact CG2-CB 3.7Å; I999-W1001 HydrophobicContact CG2-CG 4.06Å; I999-W1001 PolarHBondContact O-N 2.98Å; W1001-V1003 VanDerWaalsContact C-N 3.34Å; W1001-V1003 PolarHBondContact O-N 2.93Å; W1001-V1003 VanDerWaalsContact O-N 3.12Å; W1001-A1006 HydrophobicContact CB-CB 4.19Å; W1001-A1006 HydrophobicContact CD2-CB 3.91Å; W1001-A1006 HydrophobicContact CE3-CB 3.79Å; W1001-A1006 HydrophobicContact CG-CB 4.1Å; W1001-F1007 HydrophobicContact CZ3-CE2 4.4Å; W1001-F1007 HydrophobicContact CZ3-CZ 4.29Å
1002	N	45.6	Very low	53.8	Low	98 Å²	98	64.6 Å²	64.6	52%	0.524	37%	0.367	S	S	.	.				-56.2	112.2	129.2	-90.6	-20.3	0	0	0	106.5	D1000 D1004 D1005 A1006	D1000-N1002 PolarHBondContact O-N 2.93Å; N1002-D1004 PolarHBondContact O-N 2.87Å; N1002-D1005 HydrophobicContact CB-CB 3.77Å; N1002-D1005 WeakPolarHBondContact CB-OD2 3.33Å; N1002-D1005 PolarHBondContact ND2-OD2 3.14Å; N1002-D1005 PolarHBondContact O-N 2.89Å; N1002-A1006 PolarHBondContact O-N 2.83Å
1003	V	45.1	Very low	52.8	Low	19 Å²	19	63.3 Å²	63.3	12%	0.115	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-30.4	173.8	178.7	0	0	0	0	110.3	W1001 D1005 F1007 L1021 Q1025	W1001-V1003 VanDerWaalsContact C-N 3.34Å; W1001-V1003 PolarHBondContact O-N 2.93Å; W1001-V1003 VanDerWaalsContact O-N 3.12Å; V1003-D1005 VanDerWaalsContact C-N 3.3Å; V1003-D1005 PolarHBondContact O-N 2.76Å; V1003-F1007 HydrophobicContact CG1-CD2 3.79Å; V1003-F1007 HydrophobicContact CG1-CE2 3.8Å; V1003-F1007 WeakPolarHBondContact O-CD2 3.07Å; V1003-F1007 PolarHBondContact O-N 2.71Å; V1003-L1021 HydrophobicContact CG1-CB 4.25Å; V1003-L1021 HydrophobicContact CG1-CD1 4.18Å; V1003-L1021 HydrophobicContact CG1-CD2 4.41Å; V1003-Q1025 HydrophobicContact CG2-CG 3.86Å
1004	D	44.1	Very low	52	Low	111 Å²	111	68.3 Å²	68.3	59%	0.594	38%	0.382	S	S	*	.	H	α-helix	trans	-69	-20.7	175	-53	-41	0	0	0	113.8	N1002	N1002-D1004 PolarHBondContact O-N 2.87Å
1005	D	44.5	Very low	51.1	Low	116 Å²	116	71.3 Å²	71.3	62%	0.62	40%	0.402	S	S	*	.	H	α-helix	trans	-97.6	-29.6	176.4	-68	-31.5	0	0	0	112.1	N1002 V1003	N1002-D1005 HydrophobicContact CB-CB 3.77Å; N1002-D1005 WeakPolarHBondContact CB-OD2 3.33Å; N1002-D1005 PolarHBondContact ND2-OD2 3.14Å; N1002-D1005 PolarHBondContact O-N 2.89Å; V1003-D1005 VanDerWaalsContact C-N 3.3Å; V1003-D1005 PolarHBondContact O-N 2.76Å
1006	A	47.5	Very low	50.5	Low	51 Å²	51	73.1 Å²	73.1	42%	0.421	41%	0.409	S	S	.	.	H	α-helix	trans	-77	-30.2	-178.2	0	0	0	0	0	113.3	W1001 N1002	W1001-A1006 HydrophobicContact CB-CB 4.19Å; W1001-A1006 HydrophobicContact CD2-CB 3.91Å; W1001-A1006 HydrophobicContact CE3-CB 3.79Å; W1001-A1006 HydrophobicContact CG-CB 4.1Å; N1002-A1006 PolarHBondContact O-N 2.83Å
1007	F	50.4	Low	50.7	Low	28 Å²	28	72.1 Å²	72.1	12%	0.123	40%	0.398	C	S	.	.	S	Bend	trans	-99.7	97.7	164.6	-57.3	-66.5	0	0	0	107.7	W970 W1001 V1003 S1009 V1013 L1021	W970-F1007 AromaticContact CD1-CE1 3.58Å; W970-F1007 HydrophobicContact CD2-CE1 4.02Å; W970-F1007 HydrophobicContact CD2-CZ 4.14Å; W970-F1007 AromaticContact CE2-CE1 3.62Å; W970-F1007 AromaticContact CE2-CZ 3.71Å; W970-F1007 AromaticContact CG-CE1 3.98Å; W970-F1007 HydrophobicContact CG-CE1 3.98Å; W970-F1007 HydrophobicContact CH2-CZ 4.47Å; W970-F1007 HydrophobicContact CZ2-CE1 4.22Å; W970-F1007 AromaticContact CZ2-CZ 3.88Å; W970-F1007 HydrophobicContact CZ2-CZ 3.88Å; W970-F1007 AromaticContact NE1-CE1 3.32Å; W970-F1007 VanDerWaalsContact NE1-CE1 3.32Å; W970-F1007 AromaticContact NE1-CZ 3.9Å; W1001-F1007 HydrophobicContact CZ3-CE2 4.4Å; W1001-F1007 HydrophobicContact CZ3-CZ 4.29Å; V1003-F1007 HydrophobicContact CG1-CD2 3.79Å; V1003-F1007 HydrophobicContact CG1-CE2 3.8Å; V1003-F1007 WeakPolarHBondContact O-CD2 3.07Å; V1003-F1007 PolarHBondContact O-N 2.71Å; F1007-S1009 CarbonylContact O-C 3.36Å; F1007-S1009 PolarHBondContact O-N 2.86Å; F1007-V1013 HydrophobicContact CB-CG2 3.3Å; F1007-V1013 HydrophobicContact CD1-CG2 4.26Å; F1007-V1013 HydrophobicContact CD2-CG2 3.87Å; F1007-V1013 HydrophobicContact CG-CG2 3.55Å; F1007-L1021 HydrophobicContact CD2-CD1 3.87Å; F1007-L1021 HydrophobicContact CE2-CD1 3.48Å; F1007-L1021 VanDerWaalsContact CE2-CD1 3.48Å; F1007-L1021 HydrophobicContact CE2-CD2 3.71Å; F1007-L1021 HydrophobicContact CE2-CG 4.25Å; F1007-L1021 HydrophobicContact CZ-CD1 4.24Å; F1007-L1021 HydrophobicContact CZ-CD2 4.13Å
1008	A	43.4	Very low	51.2	Low	89 Å²	89	68.6 Å²	68.6	74%	0.736	38%	0.377	S	S	*	.	S	Bend	trans	-62.1	-11.9	-156.9	0	0	0	0	0	116.6
1009	S	39.9	Very low	51.5	Low	32 Å²	32	67.1 Å²	67.1	22%	0.224	37%	0.371	C	S	.	.	S	Bend	trans	-134.7	151.9	150.1	-179.3	0	0	0	0	110	F1007 D1011 D1012	F1007-S1009 CarbonylContact O-C 3.36Å; F1007-S1009 PolarHBondContact O-N 2.86Å; S1009-D1011 PolarHBondContact O-N 2.84Å; S1009-D1011 WeakPolarHBondContact OG-CB 3.11Å; S1009-D1011 VanDerWaalsContact OG-CG 3.29Å; S1009-D1011 PolarHBondContact OG-N 2.85Å; S1009-D1011 PolarHBondContact OG-OD2 3.44Å; S1009-D1012 PolarHBondContact N-OD2 2.98Å; S1009-D1012 VanDerWaalsContact N-OD2 3.14Å; S1009-D1012 WeakPolarHBondContact O-CB 3.35Å; S1009-D1012 PolarHBondContact O-N 2.9Å
1010	P	42.2	Very low	52.4	Low	76 Å²	76	66.1 Å²	66.1	49%	0.494	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-22.6	157.1	-28	36.4	0	0	0	113.7	V1013 R1018	P1010-V1013 PolarHBondContact O-N 2.82Å; P1010-R1018 PolarHBondContact O-NH2 2.9Å
1011	D	47.1	Very low	53.6	Low	139 Å²	139	59.9 Å²	59.9	74%	0.743	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.9	174.8	-50.2	-52.1	0	0	0	114	S1009 V1013	S1009-D1011 PolarHBondContact O-N 2.84Å; S1009-D1011 WeakPolarHBondContact OG-CB 3.11Å; S1009-D1011 VanDerWaalsContact OG-CG 3.29Å; S1009-D1011 PolarHBondContact OG-N 2.85Å; S1009-D1011 PolarHBondContact OG-OD2 3.44Å; D1011-V1013 PolarHBondContact O-N 2.88Å
1012	D	48.9	Very low	54.5	Low	97 Å²	97	60.6 Å²	60.6	52%	0.519	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.6	169.3	-76.2	-46.8	0	0	0	111.6	S1009	S1009-D1012 PolarHBondContact N-OD2 2.98Å; S1009-D1012 VanDerWaalsContact N-OD2 3.14Å; S1009-D1012 WeakPolarHBondContact O-CB 3.35Å; S1009-D1012 PolarHBondContact O-N 2.9Å
1013	V	57.5	Low	55.8	Low	9 Å²	9	56.4 Å²	56.4	6%	0.055	31%	0.313	C	S	.	.	S	Bend	trans	-96.6	98.7	179	-172.1	0	0	0	0	109.6	F1007 P1010 D1011 L1017 R1018 L1021	F1007-V1013 HydrophobicContact CB-CG2 3.3Å; F1007-V1013 HydrophobicContact CD1-CG2 4.26Å; F1007-V1013 HydrophobicContact CD2-CG2 3.87Å; F1007-V1013 HydrophobicContact CG-CG2 3.55Å; P1010-V1013 PolarHBondContact O-N 2.82Å; D1011-V1013 PolarHBondContact O-N 2.88Å; V1013-L1017 HydrophobicContact CG1-CB 3.77Å; V1013-R1018 HydrophobicContact CB-CG 4.35Å; V1013-R1018 HydrophobicContact CG1-CG 3.67Å; V1013-R1018 PolarHBondContact O-NE 2.84Å; V1013-L1021 HydrophobicContact CG1-CD1 3.77Å; V1013-L1021 HydrophobicContact CG2-CD1 4.45Å
1014	E	60.8	Low	57.2	Low	106 Å²	106	56.2 Å²	56.2	50%	0.495	31%	0.311	S	S	.	.			trans	-39.6	131.3	166.5	-81.5	-68.9	179.2	0	0	110.7	Y1016 L1017	E1014-Y1016 HydrophobicContact CB-CD1 3.81Å; E1014-Y1016 HydrophobicContact CB-CE1 3.51Å; E1014-Y1016 HydrophobicContact CG-CE1 3.85Å; E1014-Y1016 PolarHBondContact O-N 3.19Å; E1014-L1017 HydrophobicContact CB-CD1 4.15Å; E1014-L1017 HydrophobicContact CB-CG 4.38Å; E1014-L1017 WeakPolarHBondContact O-CB 3.41Å; E1014-L1017 PolarHBondContact O-N 2.88Å
1015	P	57.9	Low	58.6	Low	64 Å²	64	52.6 Å²	52.6	42%	0.416	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-52.4	-33.8	-170.6	-30.7	36.6	0	0	0	114	I579 L1017 R1018	I579-P1015 HydrophobicContact CD1-CB 4.42Å; P1015-L1017 PolarHBondContact O-N 3.26Å; P1015-L1017 VanDerWaalsContact O-N 3.16Å; P1015-R1018 PolarHBondContact O-N 2.92Å
1016	Y	61.6	Low	60	Low	47 Å²	47	47.2 Å²	47.2	18%	0.184	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-68	-6.8	180	75.8	-97.8	0	0	0	115.4	I579 G978 N979 E1014	I579-Y1016 WeakPolarHBondContact CG2-O 3.27Å; G978-Y1016 WeakPolarHBondContact CA-OH 3.26Å; N979-Y1016 HydrophobicContact CB-CD2 4.48Å; N979-Y1016 HydrophobicContact CB-CE2 4.33Å; E1014-Y1016 HydrophobicContact CB-CD1 3.81Å; E1014-Y1016 HydrophobicContact CB-CE1 3.51Å; E1014-Y1016 HydrophobicContact CG-CE1 3.85Å; E1014-Y1016 PolarHBondContact O-N 3.19Å
1017	L	66.5	Low	61.4	Low	3 Å²	3	47 Å²	47	2%	0.016	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-98.6	-18.7	177	-61.7	175.3	0	0	0	113	W970 V974 F983 V1013 E1014 P1015 L1020 L1021	W970-L1017 HydrophobicContact CZ2-CD1 3.97Å; V974-L1017 HydrophobicContact CG1-CD1 3.97Å; V974-L1017 HydrophobicContact CG2-CD1 3.75Å; F983-L1017 HydrophobicContact CD1-CD2 4.19Å; F983-L1017 HydrophobicContact CE1-CD2 3.48Å; F983-L1017 VanDerWaalsContact CE1-CD2 3.48Å; F983-L1017 HydrophobicContact CZ-CD2 4.31Å; V1013-L1017 HydrophobicContact CG1-CB 3.77Å; E1014-L1017 HydrophobicContact CB-CD1 4.15Å; E1014-L1017 HydrophobicContact CB-CG 4.38Å; E1014-L1017 WeakPolarHBondContact O-CB 3.41Å; E1014-L1017 PolarHBondContact O-N 2.88Å; P1015-L1017 PolarHBondContact O-N 3.26Å; P1015-L1017 VanDerWaalsContact O-N 3.16Å; L1017-L1020 HydrophobicContact CD2-CD2 4.37Å; L1017-L1020 WeakPolarHBondContact O-CB 3.45Å; L1017-L1020 PolarHBondContact O-N 2.9Å; L1017-L1021 WeakPolarHBondContact O-CG 3.39Å; L1017-L1021 PolarHBondContact O-N 2.83Å
1018	R	65.7	Low	62.8	Low	95 Å²	95	46.2 Å²	46.2	36%	0.358	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-45.4	-168.2	-57.7	174.4	179.9	-179.3	-4	113.5	P1010 V1013 P1015 L1021 R1022	P1010-R1018 PolarHBondContact O-NH2 2.9Å; V1013-R1018 HydrophobicContact CB-CG 4.35Å; V1013-R1018 HydrophobicContact CG1-CG 3.67Å; V1013-R1018 PolarHBondContact O-NE 2.84Å; P1015-R1018 PolarHBondContact O-N 2.92Å; R1018-L1021 PolarHBondContact O-N 2.82Å; R1018-R1022 WeakPolarHBondContact O-CG 3.23Å; R1018-R1022 PolarHBondContact O-N 3.5Å
1019	P	64.3	Low	64.5	Low	4 Å²	4	45.9 Å²	45.9	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-33.3	175	-24.6	39.9	0	0	0	114.4	I579 Y580 V583 R1022 S1023	I579-P1019 HydrophobicContact CB-CG 4.33Å; I579-P1019 HydrophobicContact CG2-CB 4.09Å; I579-P1019 HydrophobicContact CG2-CG 3.37Å; Y580-P1019 HydrophobicContact CD1-CG 4.18Å; Y580-P1019 HydrophobicContact CE1-CG 3.9Å; V583-P1019 HydrophobicContact CB-CB 4.48Å; V583-P1019 HydrophobicContact CG1-CB 3.56Å; V583-P1019 WeakPolarHBondContact CG1-O 3.44Å; V583-P1019 HydrophobicContact CG2-CB 4.03Å; P1019-R1022 PolarHBondContact O-N 2.81Å; P1019-S1023 PolarHBondContact O-N 2.92Å
1020	L	70.7	Confident	66.4	Low	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-57.4	-51.3	168.7	166.1	57	0	0	0	109.8	F983 V987 K988 L1017 R1022 S1023 I1024	F983-L1020 HydrophobicContact CD1-CD2 4.28Å; F983-L1020 HydrophobicContact CE1-CD2 4Å; V987-L1020 HydrophobicContact CB-CD1 4.2Å; V987-L1020 HydrophobicContact CB-CD2 4.04Å; V987-L1020 HydrophobicContact CG1-CD1 4.07Å; V987-L1020 HydrophobicContact CG1-CD2 4.13Å; V987-L1020 HydrophobicContact CG1-CG 4.21Å; V987-L1020 HydrophobicContact CG2-CD2 4.43Å; K988-L1020 HydrophobicContact CG-CD1 3.78Å; L1017-L1020 HydrophobicContact CD2-CD2 4.37Å; L1017-L1020 WeakPolarHBondContact O-CB 3.45Å; L1017-L1020 PolarHBondContact O-N 2.9Å; L1020-R1022 PolarHBondContact O-N 2.69Å; L1020-S1023 WeakPolarHBondContact O-CB 3.29Å; L1020-S1023 PolarHBondContact O-N 2.86Å; L1020-S1023 PolarHBondContact O-OG 2.92Å; L1020-I1024 HydrophobicContact CD1-CD1 3.95Å; L1020-I1024 HydrophobicContact CG-CD1 4.27Å; L1020-I1024 WeakPolarHBondContact O-CD1 3.33Å; L1020-I1024 PolarHBondContact O-N 2.83Å
1021	L	72.1	Confident	68.4	Low	16 Å²	16	42.8 Å²	42.8	8%	0.084	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-41.4	174	-68.2	173.6	0	0	0	113	W970 V1003 F1007 V1013 L1017 R1018 S1023 I1024 Q1025	W970-L1021 HydrophobicContact CH2-CD2 4.02Å; W970-L1021 HydrophobicContact CZ2-CD2 4.33Å; V1003-L1021 HydrophobicContact CG1-CB 4.25Å; V1003-L1021 HydrophobicContact CG1-CD1 4.18Å; V1003-L1021 HydrophobicContact CG1-CD2 4.41Å; F1007-L1021 HydrophobicContact CD2-CD1 3.87Å; F1007-L1021 HydrophobicContact CE2-CD1 3.48Å; F1007-L1021 VanDerWaalsContact CE2-CD1 3.48Å; F1007-L1021 HydrophobicContact CE2-CD2 3.71Å; F1007-L1021 HydrophobicContact CE2-CG 4.25Å; F1007-L1021 HydrophobicContact CZ-CD1 4.24Å; F1007-L1021 HydrophobicContact CZ-CD2 4.13Å; V1013-L1021 HydrophobicContact CG1-CD1 3.77Å; V1013-L1021 HydrophobicContact CG2-CD1 4.45Å; L1017-L1021 WeakPolarHBondContact O-CG 3.39Å; L1017-L1021 PolarHBondContact O-N 2.83Å; R1018-L1021 PolarHBondContact O-N 2.82Å; L1021-S1023 VanDerWaalsContact C-N 3.32Å; L1021-S1023 PolarHBondContact O-N 2.88Å; L1021-I1024 HydrophobicContact CD2-CD1 4.45Å; L1021-I1024 PolarHBondContact O-N 3.31Å; L1021-Q1025 WeakPolarHBondContact O-CG 3.39Å; L1021-Q1025 PolarHBondContact O-N 2.88Å
1022	R	69.4	Low	70.2	Confident	68 Å²	68	38.7 Å²	38.7	26%	0.257	18%	0.184	S	C	.	.	H	α-helix	trans	-58.9	-40.4	171.8	-70	173.5	-171.4	176.9	3	111.9	E569 R1018 P1019 L1020 I1024 Q1025 V1026	E569-R1022 IonicContact OE1-CZ 2.75Å; E569-R1022 VanDerWaalsContact OE1-CZ 3.27Å; E569-R1022 IonicContact OE1-NH1 3.42Å; E569-R1022 PolarHBondContact OE1-NH1 3.04Å; E569-R1022 IonicContact OE1-NH2 2.67Å; E569-R1022 PolarHBondContact OE1-NH2 2.97Å; R1018-R1022 WeakPolarHBondContact O-CG 3.23Å; R1018-R1022 PolarHBondContact O-N 3.5Å; P1019-R1022 PolarHBondContact O-N 2.81Å; L1020-R1022 PolarHBondContact O-N 2.69Å; R1022-I1024 VanDerWaalsContact C-N 3.26Å; R1022-I1024 PolarHBondContact O-N 2.95Å; R1022-Q1025 WeakPolarHBondContact O-CB 3.39Å; R1022-Q1025 PolarHBondContact O-N 2.97Å; R1022-V1026 VanDerWaalsContact O-CG2 3.23Å; R1022-V1026 WeakPolarHBondContact O-CG2 3.37Å; R1022-V1026 PolarHBondContact O-N 3.14Å
1023	S	71.4	Confident	71.8	Confident	10 Å²	10	37.9 Å²	37.9	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-32.3	178.3	77.6	0	0	0	0	113.3	M560 P1019 L1020 L1021 R1027	M560-S1023 VanDerWaalsContact CE-CB 3.47Å; P1019-S1023 PolarHBondContact O-N 2.92Å; L1020-S1023 WeakPolarHBondContact O-CB 3.29Å; L1020-S1023 PolarHBondContact O-N 2.86Å; L1020-S1023 PolarHBondContact O-OG 2.92Å; L1021-S1023 VanDerWaalsContact C-N 3.32Å; L1021-S1023 PolarHBondContact O-N 2.88Å; S1023-R1027 WeakPolarHBondContact O-CB 3.45Å; S1023-R1027 PolarHBondContact O-N 3.44Å
1024	I	75.2	Confident	73.3	Confident	15 Å²	15	38.6 Å²	38.6	8%	0.077	18%	0.182	C	C	.	.	H	α-helix	trans	-75	-39	176.7	-63.1	145.2	0	0	0	110.6	V987 L991 I999 L1020 L1021 R1022 V1026 R1027 S1028	V987-I1024 HydrophobicContact CG1-CD1 3.74Å; L991-I1024 HydrophobicContact CB-CG1 4.22Å; L991-I1024 HydrophobicContact CB-CG2 4.03Å; L991-I1024 HydrophobicContact CD1-CD1 3.79Å; L991-I1024 HydrophobicContact CD1-CG1 4.22Å; L991-I1024 HydrophobicContact CD1-CG2 4.08Å; I999-I1024 HydrophobicContact CD1-CG2 4.31Å; L1020-I1024 HydrophobicContact CD1-CD1 3.95Å; L1020-I1024 HydrophobicContact CG-CD1 4.27Å; L1020-I1024 WeakPolarHBondContact O-CD1 3.33Å; L1020-I1024 PolarHBondContact O-N 2.83Å; L1021-I1024 HydrophobicContact CD2-CD1 4.45Å; L1021-I1024 PolarHBondContact O-N 3.31Å; R1022-I1024 VanDerWaalsContact C-N 3.26Å; R1022-I1024 PolarHBondContact O-N 2.95Å; I1024-V1026 VanDerWaalsContact C-N 3.34Å; I1024-V1026 PolarHBondContact O-N 3.23Å; I1024-R1027 PolarHBondContact O-N 3.35Å; I1024-S1028 WeakPolarHBondContact O-CB 3.42Å; I1024-S1028 PolarHBondContact O-N 2.78Å
1025	Q	73.6	Confident	74.7	Confident	35 Å²	35	35 Å²	35	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-57.9	-46.2	170.2	-66.8	174.4	-29.5	0	0	111.4	V1003 L1021 R1022 S1028 R1029	V1003-Q1025 HydrophobicContact CG2-CG 3.86Å; L1021-Q1025 WeakPolarHBondContact O-CG 3.39Å; L1021-Q1025 PolarHBondContact O-N 2.88Å; R1022-Q1025 WeakPolarHBondContact O-CB 3.39Å; R1022-Q1025 PolarHBondContact O-N 2.97Å; Q1025-S1028 PolarHBondContact O-N 3.44Å; Q1025-R1029 VanDerWaalsContact O-CG 3.27Å; Q1025-R1029 WeakPolarHBondContact O-CG 3.38Å; Q1025-R1029 PolarHBondContact O-N 3.17Å
1026	V	74.4	Confident	76.2	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-58.4	-55.6	177	171	0	0	0	0	110.8	I559 S563 E676 R1022 I1024 S1028 R1029 I1030	I559-V1026 VanDerWaalsContact O-CG1 3.31Å; I559-V1026 WeakPolarHBondContact O-CG1 3.31Å; S563-V1026 WeakPolarHBondContact OG-CG2 3.47Å; E676-V1026 VanDerWaalsContact OE2-CA 3.27Å; E676-V1026 WeakPolarHBondContact OE2-CA 3.33Å; E676-V1026 WeakPolarHBondContact OE2-CB 3.41Å; E676-V1026 WeakPolarHBondContact OE2-CG1 3.47Å; E676-V1026 VanDerWaalsContact OE2-CG2 3.27Å; E676-V1026 WeakPolarHBondContact OE2-CG2 3.31Å; R1022-V1026 VanDerWaalsContact O-CG2 3.23Å; R1022-V1026 WeakPolarHBondContact O-CG2 3.37Å; R1022-V1026 PolarHBondContact O-N 3.14Å; I1024-V1026 VanDerWaalsContact C-N 3.34Å; I1024-V1026 PolarHBondContact O-N 3.23Å; V1026-S1028 VanDerWaalsContact C-N 3.31Å; V1026-S1028 PolarHBondContact O-N 3.22Å; V1026-R1029 PolarHBondContact O-N 2.99Å; V1026-I1030 HydrophobicContact CG1-CD1 3.87Å; V1026-I1030 WeakPolarHBondContact O-CG1 3.36Å; V1026-I1030 PolarHBondContact O-N 2.82Å; V1026-I1030 VanDerWaalsContact O-N 3.07Å
1027	R	77.4	Confident	77.7	Confident	47 Å²	47	35.3 Å²	35.3	18%	0.177	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-41.1	-179.1	-172.4	64.2	174.9	-162.7	0.5	111.6	E796 T992 S1023 I1024 I1030 N1031	E796-R1027 IonicContact OE1-CZ 2.71Å; E796-R1027 VanDerWaalsContact OE1-CZ 3.23Å; E796-R1027 IonicContact OE1-NH1 3.75Å; E796-R1027 PolarHBondContact OE1-NH1 3.26Å; E796-R1027 IonicContact OE1-NH2 3.3Å; E796-R1027 PolarHBondContact OE1-NH2 3.03Å; T992-R1027 WeakPolarHBondContact O-CG 3.35Å; T992-R1027 PolarHBondContact O-NE 3.16Å; S1023-R1027 WeakPolarHBondContact O-CB 3.45Å; S1023-R1027 PolarHBondContact O-N 3.44Å; I1024-R1027 PolarHBondContact O-N 3.35Å; R1027-I1030 PolarHBondContact O-N 2.88Å; R1027-N1031 VanDerWaalsContact O-CB 3.32Å; R1027-N1031 WeakPolarHBondContact O-CB 3.46Å; R1027-N1031 PolarHBondContact O-N 2.71Å; R1027-N1031 PolarHBondContact O-ND2 3Å; R1027-N1031 PolarHBondContact O-OD1 3.01Å
1028	S	79	Confident	79	Confident	11 Å²	11	38 Å²	38	8%	0.077	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-44	176.9	-179.9	0	0	0	0	113	V994 H995 I999 I1024 Q1025 V1026 I1030 N1031 T1032	V994-S1028 WeakPolarHBondContact O-CA 3.22Å; H995-S1028 WeakPolarHBondContact CA-OG 3.41Å; I999-S1028 WeakPolarHBondContact CD1-OG 3.14Å; I1024-S1028 WeakPolarHBondContact O-CB 3.42Å; I1024-S1028 PolarHBondContact O-N 2.78Å; Q1025-S1028 PolarHBondContact O-N 3.44Å; V1026-S1028 VanDerWaalsContact C-N 3.31Å; V1026-S1028 PolarHBondContact O-N 3.22Å; S1028-I1030 PolarHBondContact O-N 2.87Å; S1028-N1031 PolarHBondContact O-N 2.61Å; S1028-T1032 WeakPolarHBondContact O-CB 3.36Å; S1028-T1032 PolarHBondContact O-N 2.95Å; S1028-T1032 PolarHBondContact O-OG1 3.49Å
1029	R	78.3	Confident	80.3	Confident	83 Å²	83	37.2 Å²	37.2	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-60.1	-45.8	176	-73.7	168.5	179.8	-179	0.3	111.5	E676 Q1025 V1026 T1032 Q1033	E676-R1029 WeakPolarHBondContact OE1-CD 3.42Å; E676-R1029 IonicContact OE1-CZ 2.72Å; E676-R1029 IonicContact OE1-NE 3.45Å; E676-R1029 IonicContact OE1-NH1 3.59Å; E676-R1029 PolarHBondContact OE1-NH1 3.16Å; Q1025-R1029 VanDerWaalsContact O-CG 3.27Å; Q1025-R1029 WeakPolarHBondContact O-CG 3.38Å; Q1025-R1029 PolarHBondContact O-N 3.17Å; V1026-R1029 PolarHBondContact O-N 2.99Å; R1029-T1032 WeakPolarHBondContact O-CB 3.26Å; R1029-T1032 PolarHBondContact O-N 2.91Å; R1029-Q1033 PolarHBondContact O-N 3.07Å
1030	I	79.5	Confident	81.8	Confident	39 Å²	39	40.5 Å²	40.5	20%	0.2	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-49	176.9	-66	169.4	0	0	0	110.6	I559 E676 V1026 R1027 S1028 T1032 Q1033 V1034	I559-I1030 HydrophobicContact CG2-CD1 3.92Å; E676-I1030 HydrophobicContact CB-CG1 4.22Å; V1026-I1030 HydrophobicContact CG1-CD1 3.87Å; V1026-I1030 WeakPolarHBondContact O-CG1 3.36Å; V1026-I1030 PolarHBondContact O-N 2.82Å; V1026-I1030 VanDerWaalsContact O-N 3.07Å; R1027-I1030 PolarHBondContact O-N 2.88Å; S1028-I1030 PolarHBondContact O-N 2.87Å; I1030-T1032 PolarHBondContact O-N 3.48Å; I1030-Q1033 PolarHBondContact O-N 2.58Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.49Å; I1030-V1034 PolarHBondContact O-N 2.85Å
1031	N	84.2	Confident	83	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-38	176	-71.1	-12.3	0	0	0	111.6	T800 T992 N993 V994 H995 R1027 S1028 V1034 L1035	T800-N1031 HydrophobicContact CG2-CB 3.95Å; T800-N1031 WeakPolarHBondContact CG2-O 3.44Å; T992-N1031 PolarHBondContact O-ND2 2.92Å; N993-N1031 VanDerWaalsContact C-ND2 3.34Å; V994-N1031 WeakPolarHBondContact O-CB 3.38Å; V994-N1031 PolarHBondContact O-ND2 2.86Å; H995-N1031 HydrophobicContact CB-CB 3.95Å; R1027-N1031 VanDerWaalsContact O-CB 3.32Å; R1027-N1031 WeakPolarHBondContact O-CB 3.46Å; R1027-N1031 PolarHBondContact O-N 2.71Å; R1027-N1031 PolarHBondContact O-ND2 3Å; R1027-N1031 PolarHBondContact O-OD1 3.01Å; S1028-N1031 PolarHBondContact O-N 2.61Å; N1031-V1034 PolarHBondContact O-N 2.8Å; N1031-L1035 WeakPolarHBondContact O-CB 3.37Å; N1031-L1035 PolarHBondContact O-N 2.73Å
1032	T	85.2	Confident	84.1	Confident	53 Å²	53	39.8 Å²	39.8	33%	0.325	21%	0.207	S	C	.	.	H	α-helix	trans	-65.8	-43.8	177.6	-52.2	0	0	0	0	112.2	G996 S1028 R1029 I1030 L1035 A1036	G996-T1032 WeakPolarHBondContact CA-OG1 3.47Å; G996-T1032 PolarHBondContact N-OG1 3.22Å; S1028-T1032 WeakPolarHBondContact O-CB 3.36Å; S1028-T1032 PolarHBondContact O-N 2.95Å; S1028-T1032 PolarHBondContact O-OG1 3.49Å; R1029-T1032 WeakPolarHBondContact O-CB 3.26Å; R1029-T1032 PolarHBondContact O-N 2.91Å; I1030-T1032 PolarHBondContact O-N 3.48Å; T1032-L1035 PolarHBondContact O-N 2.91Å; T1032-A1036 WeakPolarHBondContact O-CB 3.24Å; T1032-A1036 PolarHBondContact O-N 3.12Å
1033	Q	84	Confident	85.4	Confident	79 Å²	79	42.4 Å²	42.4	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-35.4	175.9	-74.4	-177	-18.1	0	0	113.4	E676 D677 R1029 I1030 Q1037	E676-Q1033 VanDerWaalsContact O-CD 3.24Å; E676-Q1033 PolarHBondContact O-NE2 3.05Å; E676-Q1033 PolarHBondContact O-OE1 2.88Å; D677-Q1033 VanDerWaalsContact CA-NE2 3.3Å; D677-Q1033 PolarHBondContact O-NE2 3.4Å; R1029-Q1033 PolarHBondContact O-N 3.07Å; I1030-Q1033 PolarHBondContact O-N 2.58Å; Q1033-Q1037 PolarHBondContact O-NE2 3.38Å; Q1033-Q1037 VanDerWaalsContact O-NE2 3.09Å
1034	V	88.5	Confident	86.6	Confident	25 Å²	25	43.3 Å²	43.3	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-48.1	172.8	170.2	0	0	0	0	109.1	V768 L797 T800 F801 I1030 N1031 A1036 Q1037	V768-V1034 HydrophobicContact CG2-CG1 4.13Å; V768-V1034 HydrophobicContact CG2-CG2 4.44Å; L797-V1034 HydrophobicContact CD2-CG1 3.91Å; T800-V1034 HydrophobicContact CG2-CB 3.95Å; T800-V1034 HydrophobicContact CG2-CG1 3.68Å; F801-V1034 HydrophobicContact CD2-CG1 4.5Å; F801-V1034 HydrophobicContact CE1-CG1 4.19Å; F801-V1034 WeakPolarHBondContact CE1-O 3.4Å; F801-V1034 HydrophobicContact CE2-CG1 3.77Å; F801-V1034 HydrophobicContact CZ-CG1 3.61Å; F801-V1034 WeakPolarHBondContact CZ-O 3.25Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.49Å; I1030-V1034 PolarHBondContact O-N 2.85Å; N1031-V1034 PolarHBondContact O-N 2.8Å; V1034-A1036 VanDerWaalsContact C-N 3.3Å; V1034-A1036 PolarHBondContact O-N 3.5Å; V1034-Q1037 WeakPolarHBondContact O-CB 3.41Å; V1034-Q1037 PolarHBondContact O-N 2.66Å
1035	L	89.1	Confident	87.6	Confident	31 Å²	31	42.6 Å²	42.6	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-59.5	-35.5	176.4	-176.6	59	0	0	0	112.9	F801 A804 H995 N1031 T1032 Q1037 H1038	F801-L1035 HydrophobicContact CD1-CD1 3.97Å; A804-L1035 HydrophobicContact CB-CD1 3.96Å; H995-L1035 HydrophobicContact CB-CD2 4.41Å; N1031-L1035 WeakPolarHBondContact O-CB 3.37Å; N1031-L1035 PolarHBondContact O-N 2.73Å; T1032-L1035 PolarHBondContact O-N 2.91Å; L1035-Q1037 PolarHBondContact O-N 2.76Å; L1035-H1038 VanDerWaalsContact O-CB 3.22Å; L1035-H1038 WeakPolarHBondContact O-CB 3.5Å; L1035-H1038 PolarHBondContact O-N 3.18Å; L1035-H1038 PolarHBondContact O-ND1 2.84Å
1036	A	90	Very high	88.5	Confident	75 Å²	75	45.5 Å²	45.5	62%	0.62	23%	0.234	S	C	*	.	H	α-helix	trans	-59.8	-27.1	174.8	0	0	0	0	0	113.3	T1032 V1034 H1038	T1032-A1036 WeakPolarHBondContact O-CB 3.24Å; T1032-A1036 PolarHBondContact O-N 3.12Å; V1034-A1036 VanDerWaalsContact C-N 3.3Å; V1034-A1036 PolarHBondContact O-N 3.5Å; A1036-H1038 VanDerWaalsContact C-N 3.26Å; A1036-H1038 PolarHBondContact O-N 2.89Å
1037	Q	93.2	Very high	89.4	Confident	41 Å²	41	48.7 Å²	48.7	19%	0.192	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.6	177.6	-67.5	166.8	75.3	0	0	113.7	V768 Q1033 V1034 L1035 V1039 E1040 V1041	V768-Q1037 HydrophobicContact CG2-CB 4.39Å; Q1033-Q1037 PolarHBondContact O-NE2 3.38Å; Q1033-Q1037 VanDerWaalsContact O-NE2 3.09Å; V1034-Q1037 WeakPolarHBondContact O-CB 3.41Å; V1034-Q1037 PolarHBondContact O-N 2.66Å; L1035-Q1037 PolarHBondContact O-N 2.76Å; Q1037-V1039 PolarHBondContact O-N 2.82Å; Q1037-V1039 VanDerWaalsContact O-N 3.12Å; Q1037-E1040 PolarHBondContact O-N 2.83Å; Q1037-E1040 VanDerWaalsContact O-N 3.15Å; Q1037-V1041 HydrophobicContact CB-CG2 4.45Å; Q1037-V1041 WeakPolarHBondContact O-CG2 3.06Å; Q1037-V1041 PolarHBondContact O-N 3.4Å
1038	H	93.4	Very high	90.1	Very high	59 Å²	59	51.5 Å²	51.5	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-58.1	-30.1	-173.4	76.4	-92.3	0	0	0	114.6	F801 A804 M806 L1035 A1036 G1042	F801-H1038 HydrophobicContact CD1-CB 4.07Å; F801-H1038 HydrophobicContact CE1-CB 3.81Å; A804-H1038 HydrophobicContact CB-CB 4.12Å; M806-H1038 HydrophobicContact CE-CB 3.61Å; M806-H1038 HydrophobicContact SD-CB 3.77Å; L1035-H1038 VanDerWaalsContact O-CB 3.22Å; L1035-H1038 WeakPolarHBondContact O-CB 3.5Å; L1035-H1038 PolarHBondContact O-N 3.18Å; L1035-H1038 PolarHBondContact O-ND1 2.84Å; A1036-H1038 VanDerWaalsContact C-N 3.26Å; A1036-H1038 PolarHBondContact O-N 2.89Å; H1038-G1042 WeakPolarHBondContact O-CA 3.33Å; H1038-G1042 PolarHBondContact O-N 2.87Å
1039	V	94.4	Very high	90.7	Very high	79 Å²	79	53.4 Å²	53.4	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-70.9	-48.9	177.1	-176.6	0	0	0	0	111	Q1037 V1041 G1042 Q1043	Q1037-V1039 PolarHBondContact O-N 2.82Å; Q1037-V1039 VanDerWaalsContact O-N 3.12Å; V1039-V1041 PolarHBondContact O-N 3.48Å; V1039-G1042 PolarHBondContact O-N 2.85Å; V1039-Q1043 WeakPolarHBondContact O-CG 3.36Å; V1039-Q1043 PolarHBondContact O-N 2.91Å
1040	E	95.3	Very high	91.2	Very high	74 Å²	74	50.5 Å²	50.5	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-48.3	178.7	-144.5	-168.7	158.8	0	0	109.8	K767 I769 Q1037 G1042 Q1043 W1044	K767-E1040 IonicContact NZ-OE1 3.33Å; K767-E1040 PolarHBondContact NZ-OE1 2.62Å; K767-E1040 IonicContact NZ-OE2 2.68Å; K767-E1040 PolarHBondContact NZ-OE2 2.78Å; I769-E1040 HydrophobicContact CD1-CB 3.93Å; I769-E1040 HydrophobicContact CD1-CG 3.53Å; Q1037-E1040 PolarHBondContact O-N 2.83Å; Q1037-E1040 VanDerWaalsContact O-N 3.15Å; E1040-G1042 VanDerWaalsContact C-N 3.34Å; E1040-G1042 PolarHBondContact O-N 2.74Å; E1040-Q1043 PolarHBondContact O-N 3.06Å; E1040-W1044 WeakPolarHBondContact O-CB 3.47Å; E1040-W1044 PolarHBondContact O-N 2.84Å
1041	V	95.9	Very high	91	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-41.6	175	173.8	0	0	0	0	111.4	V768 I769 L772 F801 Q1037 V1039 Q1043 W1044 L1045	V768-V1041 HydrophobicContact CB-CG2 3.95Å; V768-V1041 HydrophobicContact CG1-CG2 3.59Å; I769-V1041 HydrophobicContact CG1-CG2 4.23Å; L772-V1041 HydrophobicContact CD1-CG1 3.91Å; L772-V1041 HydrophobicContact CD1-CG2 4.38Å; F801-V1041 HydrophobicContact CZ-CG2 4.41Å; Q1037-V1041 HydrophobicContact CB-CG2 4.45Å; Q1037-V1041 WeakPolarHBondContact O-CG2 3.06Å; Q1037-V1041 PolarHBondContact O-N 3.4Å; V1039-V1041 PolarHBondContact O-N 3.48Å; V1041-Q1043 VanDerWaalsContact C-N 3.32Å; V1041-Q1043 PolarHBondContact O-N 2.79Å; V1041-W1044 PolarHBondContact O-N 2.69Å; V1041-L1045 HydrophobicContact CG1-CD1 3.85Å; V1041-L1045 HydrophobicContact CG1-CG 4.38Å; V1041-L1045 WeakPolarHBondContact O-CB 2.89Å; V1041-L1045 VanDerWaalsContact O-CG 3.23Å; V1041-L1045 WeakPolarHBondContact O-CG 3.37Å; V1041-L1045 PolarHBondContact O-N 2.92Å
1042	G	95.9	Very high	89.9	Confident	5 Å²	5	58.4 Å²	58.4	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-32.9	179.3	0	0	0	0	0	114.1	R809 H1038 V1039 E1040 Q1046	R809-G1042 PolarHBondContact NH1-O 2.55Å; H1038-G1042 WeakPolarHBondContact O-CA 3.33Å; H1038-G1042 PolarHBondContact O-N 2.87Å; V1039-G1042 PolarHBondContact O-N 2.85Å; E1040-G1042 VanDerWaalsContact C-N 3.34Å; E1040-G1042 PolarHBondContact O-N 2.74Å; G1042-Q1046 WeakPolarHBondContact O-CG 3.32Å; G1042-Q1046 PolarHBondContact O-N 3.14Å; G1042-Q1046 PolarHBondContact O-OE1 2.98Å
1043	Q	95.7	Very high	88	Confident	122 Å²	122	69.4 Å²	69.4	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-76.8	-45.2	173.3	-69.9	173.7	0.3	0	0	111.6	V1039 E1040 V1041 L1045 Q1046 G1047	V1039-Q1043 WeakPolarHBondContact O-CG 3.36Å; V1039-Q1043 PolarHBondContact O-N 2.91Å; E1040-Q1043 PolarHBondContact O-N 3.06Å; V1041-Q1043 VanDerWaalsContact C-N 3.32Å; V1041-Q1043 PolarHBondContact O-N 2.79Å; Q1043-L1045 VanDerWaalsContact C-N 3.31Å; Q1043-L1045 PolarHBondContact O-N 3.18Å; Q1043-Q1046 WeakPolarHBondContact O-CA 3.3Å; Q1043-Q1046 WeakPolarHBondContact O-CB 3.35Å; Q1043-Q1046 PolarHBondContact O-N 2.71Å; Q1043-G1047 PolarHBondContact O-N 2.85Å
1044	W	95.9	Very high	88.2	Confident	30 Å²	30	68.9 Å²	68.9	11%	0.114	37%	0.372	C	S	.	.	H	α-helix	trans	-56.8	-44.8	175.5	-177.9	92.4	0	0	0	111.6	I769 L772 E773 F813 E1040 V1041 Q1046 G1047 R1048	I769-W1044 HydrophobicContact CD1-CB 3.87Å; I769-W1044 HydrophobicContact CD1-CG 4.25Å; I769-W1044 HydrophobicContact CG1-CB 4.13Å; I769-W1044 HydrophobicContact CG1-CG 4.17Å; I769-W1044 HydrophobicContact CG2-CG 4.12Å; L772-W1044 HydrophobicContact CB-CH2 3.87Å; L772-W1044 HydrophobicContact CB-CZ2 4.39Å; L772-W1044 HydrophobicContact CB-CZ3 4Å; L772-W1044 HydrophobicContact CD1-CE3 4.26Å; L772-W1044 HydrophobicContact CD1-CZ3 4.14Å; E773-W1044 HydrophobicContact CG-CZ2 3.54Å; E773-W1044 PolarHBondContact OE1-NE1 2.72Å; F813-W1044 HydrophobicContact CD2-CH2 4.35Å; F813-W1044 HydrophobicContact CD2-CZ3 4.11Å; F813-W1044 AromaticContact CE2-CH2 3.66Å; F813-W1044 HydrophobicContact CE2-CH2 3.66Å; F813-W1044 AromaticContact CE2-CZ3 3.85Å; F813-W1044 HydrophobicContact CE2-CZ3 3.85Å; F813-W1044 AromaticContact CZ-CH2 3.96Å; F813-W1044 HydrophobicContact CZ-CH2 3.96Å; F813-W1044 HydrophobicContact CZ-CZ3 4.19Å; E1040-W1044 WeakPolarHBondContact O-CB 3.47Å; E1040-W1044 PolarHBondContact O-N 2.84Å; V1041-W1044 PolarHBondContact O-N 2.69Å; W1044-Q1046 VanDerWaalsContact C-N 3.31Å; W1044-Q1046 PolarHBondContact O-N 2.7Å; W1044-G1047 PolarHBondContact O-N 2.87Å; W1044-G1047 VanDerWaalsContact O-N 3.13Å; W1044-R1048 HydrophobicContact CD2-CG 4.27Å; W1044-R1048 HydrophobicContact CE3-CG 4.35Å; W1044-R1048 HydrophobicContact CH2-CG 4.22Å; W1044-R1048 HydrophobicContact CZ2-CG 4.13Å; W1044-R1048 HydrophobicContact CZ3-CG 4.33Å; W1044-R1048 PolarHBondContact O-N 3.38Å
1045	L	96.5	Very high	88.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-34.8	173.9	-72.5	168	0	0	0	113	M806 R809 L810 F813 V1041 Q1043 R1048 G1049 F1050	M806-L1045 HydrophobicContact CG-CD1 4.28Å; R809-L1045 HydrophobicContact CB-CB 4.19Å; R809-L1045 HydrophobicContact CB-CD1 3.99Å; L810-L1045 HydrophobicContact CB-CD1 3.96Å; L810-L1045 HydrophobicContact CD1-CD1 4.23Å; F813-L1045 HydrophobicContact CB-CD2 3.56Å; F813-L1045 HydrophobicContact CD2-CD2 4.2Å; F813-L1045 HydrophobicContact CG-CD2 3.87Å; V1041-L1045 HydrophobicContact CG1-CD1 3.85Å; V1041-L1045 HydrophobicContact CG1-CG 4.38Å; V1041-L1045 WeakPolarHBondContact O-CB 2.89Å; V1041-L1045 VanDerWaalsContact O-CG 3.23Å; V1041-L1045 WeakPolarHBondContact O-CG 3.37Å; V1041-L1045 PolarHBondContact O-N 2.92Å; Q1043-L1045 VanDerWaalsContact C-N 3.31Å; Q1043-L1045 PolarHBondContact O-N 3.18Å; L1045-R1048 PolarHBondContact O-N 3.14Å; L1045-G1049 PolarHBondContact O-N 2.99Å; L1045-F1050 HydrophobicContact CB-CB 4.44Å; L1045-F1050 HydrophobicContact CD2-CD2 4.14Å; L1045-F1050 WeakPolarHBondContact O-CB 3.34Å; L1045-F1050 WeakPolarHBondContact O-CD2 3.46Å; L1045-F1050 PolarHBondContact O-N 3.14Å
1046	Q	93.6	Very high	88.2	Confident	95 Å²	95	73.4 Å²	73.4	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-67.9	-41.4	172.9	-76.4	171	-66.8	0	0	111.7	R809 G1042 Q1043 W1044 R1048 G1049	R809-Q1046 VanDerWaalsContact NH1-CG 3.31Å; R809-Q1046 VanDerWaalsContact NH1-OE1 3.14Å; G1042-Q1046 WeakPolarHBondContact O-CG 3.32Å; G1042-Q1046 PolarHBondContact O-N 3.14Å; G1042-Q1046 PolarHBondContact O-OE1 2.98Å; Q1043-Q1046 WeakPolarHBondContact O-CA 3.3Å; Q1043-Q1046 WeakPolarHBondContact O-CB 3.35Å; Q1043-Q1046 PolarHBondContact O-N 2.71Å; W1044-Q1046 VanDerWaalsContact C-N 3.31Å; W1044-Q1046 PolarHBondContact O-N 2.7Å; Q1046-R1048 VanDerWaalsContact C-N 3.3Å; Q1046-R1048 PolarHBondContact O-N 3.33Å; Q1046-G1049 WeakPolarHBondContact O-CA 3.48Å; Q1046-G1049 PolarHBondContact O-N 3.07Å
1047	G	93.3	Very high	88.1	Confident	71 Å²	71	73.4 Å²	73.4	73%	0.732	38%	0.382	S	S	*	.	H	α-helix	trans	-60.3	-37.2	174.3	0	0	0	0	0	112.9	Q1043 W1044 G1049	Q1043-G1047 PolarHBondContact O-N 2.85Å; W1044-G1047 PolarHBondContact O-N 2.87Å; W1044-G1047 VanDerWaalsContact O-N 3.13Å; G1047-G1049 PolarHBondContact O-N 2.91Å
1048	R	91.8	Very high	87.7	Confident	106 Å²	106	75.4 Å²	75.4	40%	0.4	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	9.9	171.5	-59.6	-52.1	-167.2	114.2	8.8	114.6	E776 W1044 L1045 Q1046 F1050	E776-R1048 IonicContact OE1-CZ 2.94Å; E776-R1048 IonicContact OE1-NH1 2.66Å; E776-R1048 PolarHBondContact OE1-NH1 3.22Å; E776-R1048 IonicContact OE1-NH2 2.62Å; E776-R1048 IonicContact OE2-CZ 2.75Å; E776-R1048 IonicContact OE2-NH1 3.55Å; E776-R1048 PolarHBondContact OE2-NH1 3.27Å; E776-R1048 IonicContact OE2-NH2 3.43Å; E776-R1048 PolarHBondContact OE2-NH2 2.84Å; W1044-R1048 HydrophobicContact CD2-CG 4.27Å; W1044-R1048 HydrophobicContact CE3-CG 4.35Å; W1044-R1048 HydrophobicContact CH2-CG 4.22Å; W1044-R1048 HydrophobicContact CZ2-CG 4.13Å; W1044-R1048 HydrophobicContact CZ3-CG 4.33Å; W1044-R1048 PolarHBondContact O-N 3.38Å; L1045-R1048 PolarHBondContact O-N 3.14Å; Q1046-R1048 VanDerWaalsContact C-N 3.3Å; Q1046-R1048 PolarHBondContact O-N 3.33Å; R1048-F1050 HydrophobicContact CB-CD2 3.93Å; R1048-F1050 HydrophobicContact CB-CE2 3.91Å
1049	G	91.3	Very high	87.4	Confident	50 Å²	50	76.5 Å²	76.5	52%	0.515	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	1.1	171.7	0	0	0	0	0	116.2	L1045 Q1046 G1047 K1051	L1045-G1049 PolarHBondContact O-N 2.99Å; Q1046-G1049 WeakPolarHBondContact O-CA 3.48Å; Q1046-G1049 PolarHBondContact O-N 3.07Å; G1047-G1049 PolarHBondContact O-N 2.91Å; G1049-K1051 PolarHBondContact O-N 3.24Å
1050	F	88.7	Confident	86.9	Confident	22 Å²	22	76.3 Å²	76.3	10%	0.096	40%	0.397	C	S	.	.			trans	-78	60.9	-179.9	-60.3	-85.8	0	0	0	112.1	R809 R812 F813 K816 L1045 R1048	R809-F1050 HydrophobicContact CB-CB 4.12Å; R809-F1050 VanDerWaalsContact CD-O 3.25Å; R809-F1050 WeakPolarHBondContact CD-O 3.45Å; R809-F1050 VanDerWaalsContact CG-O 3.28Å; R809-F1050 WeakPolarHBondContact CG-O 3.38Å; R812-F1050 HydrophobicContact CB-CD1 3.96Å; R812-F1050 HydrophobicContact CB-CE1 4.31Å; F813-F1050 HydrophobicContact CB-CD1 4.47Å; F813-F1050 HydrophobicContact CB-CD2 4.37Å; F813-F1050 HydrophobicContact CB-CE1 4.14Å; F813-F1050 HydrophobicContact CB-CE2 4.03Å; F813-F1050 HydrophobicContact CB-CZ 3.9Å; F813-F1050 AromaticContact CD2-CE2 3.78Å; F813-F1050 HydrophobicContact CD2-CE2 3.78Å; F813-F1050 AromaticContact CD2-CZ 3.98Å; F813-F1050 HydrophobicContact CD2-CZ 3.98Å; F813-F1050 HydrophobicContact CG-CE2 4.41Å; F813-F1050 HydrophobicContact CG-CZ 4.44Å; K816-F1050 HydrophobicContact CB-CE1 4.33Å; K816-F1050 HydrophobicContact CB-CZ 4.35Å; K816-F1050 HydrophobicContact CD-CE1 4.29Å; K816-F1050 HydrophobicContact CD-CZ 3.86Å; L1045-F1050 HydrophobicContact CB-CB 4.44Å; L1045-F1050 HydrophobicContact CD2-CD2 4.14Å; L1045-F1050 WeakPolarHBondContact O-CB 3.34Å; L1045-F1050 WeakPolarHBondContact O-CD2 3.46Å; L1045-F1050 PolarHBondContact O-N 3.14Å; R1048-F1050 HydrophobicContact CB-CD2 3.93Å; R1048-F1050 HydrophobicContact CB-CE2 3.91Å
1051	K	75.5	Confident	86.2	Confident	159 Å²	159	76.5 Å²	76.5	69%	0.691	40%	0.401	S	S	*	.			trans	-54.1	149.7	175.9	-63.3	-174.7	-178.4	-177.6	0	111.4	R812 G1049	R812-K1051 VanDerWaalsContact CZ-O 3.3Å; R812-K1051 PolarHBondContact NH1-O 2.83Å; R812-K1051 PolarHBondContact NH2-O 2.8Å; G1049-K1051 PolarHBondContact O-N 3.24Å
1052	G	61.2	Low	85.4	Confident	51 Å²	51	82.8 Å²	82.8	53%	0.526	43%	0.434	S	S	.	.			trans	-63.9	139.7	169.9	0	0	0	0	0	111.3
1053	R	45.7	Very low	84.5	Confident	283 Å²	283	89.9 Å²	89.9	100%	1.068	47%	0.469	S	S	*	.			trans	-111.5	0	147.9	-76.6	-172.6	179.5	178.5	-0.2	105.6

Retrieved 1,053 of 1,053 residues in 7662.9 ms (Link to these results)

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