A0A3Q0KQS3_SCHMA Loading...

Thioredoxin domain-containing protein

AlphaFold DB (A0A5K4ESK1), UniProt , Accession A0A3Q0KQS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 935 aa.

						>A0A3Q0KQS3_SCHMA|A0A3Q0KQS3
MFPWFGNKFSDARTLFIQMKNHVDVLLILFSAVGMWLSEFPKCSQSVRVTKDSSSFGALFSSKSNVYDLANSSYDIEYTPSTTVSGVLLYANWDADSNSVRSNFEAVQNMIPYNIFAVNCGLSSSLCGQTHRVRHFPLLNVHTSPTTTIQYSGPYTISHLLKLFHFIGFPLKTINSLDDLHLLILSHKVIALGSFDFQRTQDVFHFDHFHQVSVTTKYKEVPLRMNKNIVFSVTTSPHLYHLNFGEIKPHLTLITSCGNTSHVDVQRFDERGLHNLSEILFESQNHSTTTCFNPVDITPLNNRRSNLWNNILRKTPILLLIGPHMSLAEPMDLPLYLLKLLKLSYFPHDDCHTFVINPAFTNFSLNLTVRDSLKILNRGATVTARRRCKLAAYCPKWWSFVSFHIGTSNESICELREGFSEFITGDNSSSSMSGLLQSHKLNSTASKILALLKNQTVAEDVIKYAVSLLYEISLYDKQNEMYSSSSLPNDYHWIDSGVIVEQLNFMCCHWYHVDRLVNMHETFDTECQLDPILADTSYENLKNSVIYNLGCSLNRTLEFHTLDSHLQPTLAWEIGGYSNDSSWLNSYRWGAAIIDMQNENVFRLEEAVNYQSLSQFIAAFHNSTLRPWLRYPKASQHTSVNSSMSSDLLILDVKSPVHLTNLIDQSSVLEKSKKNLILLYYSSTCIYSFGGNSALWQFEATARFFKSNQYLLFARVDVSKMDLPWHLRVENVPCIIYFPTNRSSYSSVFPMEAMSSTDLFPQLVSFIYEQINAEQNEHEQLKRFQNSSQFAASITSQLINNVKNKSMYELMQLLNETSRTCNLQPLSYSKTLCFSGIRKAVFIIAHELNKKQLILSKILSSLSEKLDRINGQLTESFSFLSHLLSFSVQNHLLFKSMHVYSRLWNVISKQNSQIIDKLNIIHKNIIHKNYTHLQM
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	38.5	Very low	218 Å²	218	151.6 Å²	151.6	100%	1.074	77%	0.768	S	S	*	*				0	29.5	0	-131.6	177	-172.5	0	0	112.9
2	F	33.8	Very low	39.2	Very low	179 Å²	179	144.8 Å²	144.8	79%	0.785	75%	0.751	S	S	*	*			trans	-108.4	-2.4	-165.4	-84.1	-78.3	0	0	0	119.5
3	P	32.9	Very low	39.8	Very low	120 Å²	120	148.1 Å²	148.1	78%	0.779	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-86.5	-3.6	175.9	32.5	-30	0	0	0	114.3
4	W	34.2	Very low	40.9	Very low	246 Å²	246	142.1 Å²	142.1	93%	0.932	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-86.1	-6	178.8	-104	58.4	0	0	0	115	G6	W4-G6 VanDerWaalsContact C-N 3.32Å; W4-G6 PolarHBondContact O-N 3.1Å
5	F	36.8	Very low	41.7	Very low	156 Å²	156	136.9 Å²	136.9	68%	0.684	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-93.8	19.3	179.1	-74	-76.4	0	0	0	113.7
6	G	33.6	Very low	42.3	Very low	54 Å²	54	137.2 Å²	137.2	56%	0.557	69%	0.692	S	S	*	*	S	Bend	trans	-84.4	114.5	174.7	0	0	0	0	0	112.8	W4 K8	W4-G6 VanDerWaalsContact C-N 3.32Å; W4-G6 PolarHBondContact O-N 3.1Å; G6-K8 PolarHBondContact O-N 3.41Å
7	N	42.1	Very low	43.1	Very low	172 Å²	172	135.4 Å²	135.4	92%	0.92	68%	0.684	S	S	*	*	S	Bend	trans	73.5	11.2	153.6	-70.2	-7.1	0	0	0	121.8
8	K	42.9	Very low	43.7	Very low	190 Å²	190	134 Å²	134	83%	0.826	67%	0.674	S	S	*	*	S	Bend	trans	-121.3	3.6	178.6	-94.9	-172.9	178.9	-179.2	0	119.7	G6	G6-K8 PolarHBondContact O-N 3.41Å
9	F	41.6	Very low	44.2	Very low	115 Å²	115	128.1 Å²	128.1	50%	0.504	65%	0.645	S	S	.	*			trans	-128.9	80	176.1	-69.3	-81	0	0	0	111.3	D11 L15	F9-D11 PolarHBondContact O-N 3.38Å; F9-L15 HydrophobicContact CD1-CD1 4.49Å; F9-L15 HydrophobicContact CG-CD1 4.46Å
10	S	44.2	Very low	44.6	Very low	133 Å²	133	130 Å²	130	93%	0.93	65%	0.649	S	S	*	*			trans	-75.8	4	172.1	53.8	0	0	0	0	113.7
11	D	47.7	Very low	45.3	Very low	85 Å²	85	130.1 Å²	130.1	46%	0.455	65%	0.651	S	S	.	*			trans	-139.9	108.3	180	-153.7	-9.7	0	0	0	111	F9 R13 T14	F9-D11 PolarHBondContact O-N 3.38Å; D11-R13 PolarHBondContact O-N 3.47Å; D11-R13 VanDerWaalsContact O-N 3.08Å; D11-R13 PolarHBondContact OD1-N 3.25Å; D11-T14 PolarHBondContact O-N 3.21Å
12	A	47.2	Very low	46.4	Very low	69 Å²	69	124.4 Å²	124.4	57%	0.57	62%	0.622	S	S	*	*	H	α-helix	trans	-56.3	-25.5	176.9	0	0	0	0	0	111.6	L15 F16	A12-L15 PolarHBondContact O-N 3.41Å; A12-F16 WeakPolarHBondContact O-CD2 3.41Å; A12-F16 PolarHBondContact O-N 2.69Å
13	R	47.1	Very low	47.8	Very low	188 Å²	188	120.3 Å²	120.3	71%	0.709	61%	0.611	S	S	*	*	H	α-helix	trans	-59.6	-44.7	173.5	-107.7	180	172.9	-169.5	-1.6	112.6	D11 F16 I17	D11-R13 PolarHBondContact O-N 3.47Å; D11-R13 VanDerWaalsContact O-N 3.08Å; D11-R13 PolarHBondContact OD1-N 3.25Å; R13-F16 PolarHBondContact O-N 3.01Å; R13-I17 VanDerWaalsContact O-CG1 3.23Å; R13-I17 WeakPolarHBondContact O-CG1 3.25Å; R13-I17 PolarHBondContact O-N 3.44Å
14	T	54.4	Low	49	Very low	65 Å²	65	119 Å²	119	40%	0.399	60%	0.598	S	S	.	*	H	α-helix	trans	-68.2	-39.4	-176.8	-39.1	0	0	0	0	110.9	D11 I17 Q18	D11-T14 PolarHBondContact O-N 3.21Å; T14-I17 PolarHBondContact O-N 3.19Å; T14-Q18 PolarHBondContact O-N 3.39Å
15	L	53.1	Low	50.5	Low	64 Å²	64	110.1 Å²	110.1	34%	0.335	57%	0.571	S	S	.	*	H	α-helix	trans	-60.6	-47.2	173.1	-166.5	82.8	0	0	0	111	F9 A12 I17 Q18 M19	F9-L15 HydrophobicContact CD1-CD1 4.49Å; F9-L15 HydrophobicContact CG-CD1 4.46Å; A12-L15 PolarHBondContact O-N 3.41Å; L15-I17 PolarHBondContact O-N 3.45Å; L15-Q18 PolarHBondContact O-N 2.94Å; L15-M19 HydrophobicContact CD2-SD 4.44Å; L15-M19 HydrophobicContact CG-SD 4.32Å; L15-M19 WeakPolarHBondContact O-CB 3.47Å; L15-M19 VanDerWaalsContact O-CG 3.29Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 2.88Å
16	F	51.5	Low	51.8	Low	141 Å²	141	105.4 Å²	105.4	62%	0.618	55%	0.552	S	S	*	*	H	α-helix	trans	-65	-36.6	177.8	-96.7	-76.9	0	0	0	113.2	A12 R13 K20	A12-F16 WeakPolarHBondContact O-CD2 3.41Å; A12-F16 PolarHBondContact O-N 2.69Å; R13-F16 PolarHBondContact O-N 3.01Å; F16-K20 WeakPolarHBondContact O-CB 3.48Å; F16-K20 PolarHBondContact O-N 3.43Å
17	I	56.2	Low	53.2	Low	107 Å²	107	107.1 Å²	107.1	55%	0.549	55%	0.548	S	S	.	.	H	α-helix	trans	-67.9	-43.3	176.7	-69	164.1	0	0	0	110.5	R13 T14 L15 K20	R13-I17 VanDerWaalsContact O-CG1 3.23Å; R13-I17 WeakPolarHBondContact O-CG1 3.25Å; R13-I17 PolarHBondContact O-N 3.44Å; T14-I17 PolarHBondContact O-N 3.19Å; L15-I17 PolarHBondContact O-N 3.45Å; I17-K20 WeakPolarHBondContact O-CB 3.38Å; I17-K20 PolarHBondContact O-N 2.91Å
18	Q	53.7	Low	54.3	Low	110 Å²	110	104.1 Å²	104.1	51%	0.514	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-41	175.3	-77.6	-175.8	-30.4	0	0	111.9	T14 L15 K20 N21	T14-Q18 PolarHBondContact O-N 3.39Å; L15-Q18 PolarHBondContact O-N 2.94Å; Q18-K20 VanDerWaalsContact C-N 3.3Å; Q18-K20 PolarHBondContact O-N 3.47Å; Q18-N21 PolarHBondContact O-N 3Å
19	M	52.4	Low	55.7	Low	22 Å²	22	99 Å²	99	11%	0.108	51%	0.512	C	S	.	.	H	α-helix	trans	-63.9	-32.4	174.4	-75.6	-179.6	126.2	0	0	112.9	L15 N21 H22 V25 L29	L15-M19 HydrophobicContact CD2-SD 4.44Å; L15-M19 HydrophobicContact CG-SD 4.32Å; L15-M19 WeakPolarHBondContact O-CB 3.47Å; L15-M19 VanDerWaalsContact O-CG 3.29Å; L15-M19 WeakPolarHBondContact O-CG 3.43Å; L15-M19 PolarHBondContact O-N 2.88Å; M19-N21 PolarHBondContact O-N 2.81Å; M19-H22 CarbonylContact O-C 3.51Å; M19-H22 PolarHBondContact O-N 3.36Å; M19-H22 VanDerWaalsContact O-N 3.08Å; M19-H22 VanDerWaalsContact O-O 3.1Å; M19-V25 HydrophobicContact CE-CG1 3.65Å; M19-V25 HydrophobicContact CG-CG1 3.89Å; M19-L29 HydrophobicContact CE-CB 4.13Å; M19-L29 HydrophobicContact CE-CD1 3.9Å; M19-L29 HydrophobicContact CE-CD2 3.93Å; M19-L29 HydrophobicContact CE-CG 4.2Å
20	K	53.3	Low	57.1	Low	166 Å²	166	100.3 Å²	100.3	72%	0.722	52%	0.518	S	S	*	.	H	α-helix	trans	-60.1	-29.7	178.5	-169.4	-177.3	173.1	-172.5	0	112.6	F16 I17 Q18	F16-K20 WeakPolarHBondContact O-CB 3.48Å; F16-K20 PolarHBondContact O-N 3.43Å; I17-K20 WeakPolarHBondContact O-CB 3.38Å; I17-K20 PolarHBondContact O-N 2.91Å; Q18-K20 VanDerWaalsContact C-N 3.3Å; Q18-K20 PolarHBondContact O-N 3.47Å
21	N	59.8	Low	58.1	Low	132 Å²	132	97.1 Å²	97.1	71%	0.706	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.4	179.4	-71.2	-5.2	0	0	0	113.6	Q18 M19	Q18-N21 PolarHBondContact O-N 3Å; M19-N21 PolarHBondContact O-N 2.81Å
22	H	56.8	Low	59.1	Low	98 Å²	98	95.4 Å²	95.4	45%	0.454	49%	0.493	S	S	.	.			trans	-126.5	89.1	177.9	-73.9	-78.6	0	0	0	110.2	M19 D24 V25 L26	M19-H22 CarbonylContact O-C 3.51Å; M19-H22 PolarHBondContact O-N 3.36Å; M19-H22 VanDerWaalsContact O-N 3.08Å; M19-H22 VanDerWaalsContact O-O 3.1Å; H22-D24 IonicContact ND1-OD2 3.92Å; H22-D24 PolarHBondContact ND1-OD2 3.32Å; H22-D24 PolarHBondContact O-N 2.89Å; H22-V25 HydrophobicContact CB-CB 3.89Å; H22-V25 HydrophobicContact CB-CG2 3.52Å; H22-V25 WeakPolarHBondContact O-CB 3.39Å; H22-V25 PolarHBondContact O-N 3.12Å; H22-L26 PolarHBondContact O-N 3.13Å
23	V	61.5	Low	60.3	Low	93 Å²	93	95 Å²	95	56%	0.564	48%	0.483	S	S	*	.	H	α-helix	trans	-54.1	-34.3	171.6	174.9	0	0	0	0	110.5	V25 L26 L27	V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.9Å; V23-L26 WeakPolarHBondContact O-CB 3.48Å; V23-L26 PolarHBondContact O-N 3.35Å; V23-L26 VanDerWaalsContact O-N 3.17Å; V23-L27 HydrophobicContact CG1-CD1 4.07Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CG 2.96Å; V23-L27 PolarHBondContact O-N 3.42Å
24	D	59.8	Low	61.2	Low	94 Å²	94	87.8 Å²	87.8	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-56.4	-42.6	173.7	-3.8	-49.3	0	0	0	111.8	H22 L27 I28	H22-D24 IonicContact ND1-OD2 3.92Å; H22-D24 PolarHBondContact ND1-OD2 3.32Å; H22-D24 PolarHBondContact O-N 2.89Å; D24-L27 PolarHBondContact O-N 3.24Å; D24-I28 WeakPolarHBondContact O-CB 3.08Å; D24-I28 WeakPolarHBondContact O-CD1 3.42Å; D24-I28 WeakPolarHBondContact O-CG1 3.46Å; D24-I28 PolarHBondContact O-N 2.88Å
25	V	65.4	Low	61.6	Low	59 Å²	59	90.5 Å²	90.5	36%	0.358	48%	0.477	S	S	.	.	H	α-helix	trans	-68.9	-37.6	177.5	175.7	0	0	0	0	111.1	M19 H22 V23 I28 L29	M19-V25 HydrophobicContact CE-CG1 3.65Å; M19-V25 HydrophobicContact CG-CG1 3.89Å; H22-V25 HydrophobicContact CB-CB 3.89Å; H22-V25 HydrophobicContact CB-CG2 3.52Å; H22-V25 WeakPolarHBondContact O-CB 3.39Å; H22-V25 PolarHBondContact O-N 3.12Å; V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.9Å; V25-I28 PolarHBondContact O-N 2.85Å; V25-L29 VanDerWaalsContact O-CB 3.3Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 PolarHBondContact O-N 3.19Å
26	L	62.8	Low	62.1	Low	57 Å²	57	94.5 Å²	94.5	30%	0.298	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-43.1	172.6	-84.1	159.4	0	0	0	111.3	H22 V23 L29 F30	H22-L26 PolarHBondContact O-N 3.13Å; V23-L26 WeakPolarHBondContact O-CB 3.48Å; V23-L26 PolarHBondContact O-N 3.35Å; V23-L26 VanDerWaalsContact O-N 3.17Å; L26-L29 PolarHBondContact O-N 2.94Å; L26-F30 HydrophobicContact CD2-CE2 4.17Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 WeakPolarHBondContact O-CD2 3.45Å; L26-F30 PolarHBondContact O-N 3.43Å
27	L	63.4	Low	62.3	Low	90 Å²	90	92.7 Å²	92.7	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-44.2	175.9	-77.4	167.4	0	0	0	111.6	V23 D24 L29 F30 S31	V23-L27 HydrophobicContact CG1-CD1 4.07Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CG 2.96Å; V23-L27 PolarHBondContact O-N 3.42Å; D24-L27 PolarHBondContact O-N 3.24Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.45Å; L27-F30 PolarHBondContact O-N 3.5Å; L27-S31 VanDerWaalsContact O-CB 3.32Å; L27-S31 WeakPolarHBondContact O-CB 3.34Å; L27-S31 PolarHBondContact O-N 3.48Å; L27-S31 PolarHBondContact O-OG 3.37Å; L27-S31 VanDerWaalsContact O-OG 3.11Å
28	I	66.1	Low	62.3	Low	109 Å²	109	90 Å²	90	56%	0.559	47%	0.474	S	S	*	.	H	α-helix	trans	-63.1	-39.8	175.1	-68.4	163.5	0	0	0	110.5	D24 V25 S31 A32	D24-I28 WeakPolarHBondContact O-CB 3.08Å; D24-I28 WeakPolarHBondContact O-CD1 3.42Å; D24-I28 WeakPolarHBondContact O-CG1 3.46Å; D24-I28 PolarHBondContact O-N 2.88Å; V25-I28 PolarHBondContact O-N 2.85Å; I28-S31 VanDerWaalsContact CA-OG 3.27Å; I28-S31 WeakPolarHBondContact CA-OG 3.48Å; I28-S31 PolarHBondContact O-N 3.23Å; I28-S31 PolarHBondContact O-OG 2.9Å; I28-A32 WeakPolarHBondContact O-CA 3.34Å; I28-A32 WeakPolarHBondContact O-CB 3.35Å; I28-A32 PolarHBondContact O-N 2.99Å
29	L	71.8	Confident	62.1	Low	83 Å²	83	91.1 Å²	91.1	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-65.9	-45.8	175.8	-167	90.8	0	0	0	110.8	M19 V25 L26 L27 S31 A32 V33	M19-L29 HydrophobicContact CE-CB 4.13Å; M19-L29 HydrophobicContact CE-CD1 3.9Å; M19-L29 HydrophobicContact CE-CD2 3.93Å; M19-L29 HydrophobicContact CE-CG 4.2Å; V25-L29 VanDerWaalsContact O-CB 3.3Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 PolarHBondContact O-N 3.19Å; L26-L29 PolarHBondContact O-N 2.94Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.45Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-A32 PolarHBondContact O-N 2.82Å; L29-V33 HydrophobicContact CG-CG2 4.46Å; L29-V33 VanDerWaalsContact O-CB 3.3Å; L29-V33 WeakPolarHBondContact O-CB 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 3.05Å
30	F	70.4	Confident	62	Low	142 Å²	142	94.5 Å²	94.5	62%	0.623	49%	0.494	S	S	*	.	H	α-helix	trans	-67.5	-34.5	177.2	-81.3	-64.6	0	0	0	112.4	L26 L27 G34	L26-F30 HydrophobicContact CD2-CE2 4.17Å; L26-F30 WeakPolarHBondContact O-CB 3.4Å; L26-F30 WeakPolarHBondContact O-CD2 3.45Å; L26-F30 PolarHBondContact O-N 3.43Å; L27-F30 PolarHBondContact O-N 3.5Å; F30-G34 WeakPolarHBondContact O-CA 3.47Å; F30-G34 PolarHBondContact O-N 2.95Å
31	S	65.6	Low	61.5	Low	65 Å²	65	89.7 Å²	89.7	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-72.7	-35.8	173.3	66.4	0	0	0	0	111.2	L27 I28 L29 G34 M35	L27-S31 VanDerWaalsContact O-CB 3.32Å; L27-S31 WeakPolarHBondContact O-CB 3.34Å; L27-S31 PolarHBondContact O-N 3.48Å; L27-S31 PolarHBondContact O-OG 3.37Å; L27-S31 VanDerWaalsContact O-OG 3.11Å; I28-S31 VanDerWaalsContact CA-OG 3.27Å; I28-S31 WeakPolarHBondContact CA-OG 3.48Å; I28-S31 PolarHBondContact O-N 3.23Å; I28-S31 PolarHBondContact O-OG 2.9Å; L29-S31 VanDerWaalsContact C-N 3.35Å; S31-G34 CarbonylContact O-C 3.46Å; S31-G34 PolarHBondContact O-N 3.39Å; S31-M35 VanDerWaalsContact O-CB 3.23Å; S31-M35 WeakPolarHBondContact O-CB 3.34Å; S31-M35 VanDerWaalsContact O-CG 3.25Å; S31-M35 WeakPolarHBondContact O-CG 3.45Å; S31-M35 PolarHBondContact O-N 3.42Å
32	A	70.1	Confident	60.6	Low	49 Å²	49	92.6 Å²	92.6	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-69.6	-43.1	174.7	0	0	0	0	0	111.1	I28 L29 G34 M35 W36	I28-A32 WeakPolarHBondContact O-CA 3.34Å; I28-A32 WeakPolarHBondContact O-CB 3.35Å; I28-A32 PolarHBondContact O-N 2.99Å; L29-A32 PolarHBondContact O-N 2.82Å; A32-G34 VanDerWaalsContact C-N 3.33Å; A32-M35 PolarHBondContact O-N 2.82Å; A32-W36 WeakPolarHBondContact O-CB 3.45Å; A32-W36 PolarHBondContact O-N 2.86Å
33	V	72.3	Confident	59.9	Low	61 Å²	61	91 Å²	91	37%	0.37	49%	0.486	S	S	.	.	H	α-helix	trans	-64.1	-41.1	171.4	170.8	0	0	0	0	109.9	L29 W36 L37	L29-V33 HydrophobicContact CG-CG2 4.46Å; L29-V33 VanDerWaalsContact O-CB 3.3Å; L29-V33 WeakPolarHBondContact O-CB 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.42Å; L29-V33 PolarHBondContact O-N 3.05Å; V33-W36 PolarHBondContact O-N 3.1Å; V33-L37 HydrophobicContact CG1-CD1 3.73Å; V33-L37 HydrophobicContact CG1-CG 4.17Å; V33-L37 WeakPolarHBondContact O-CB 3.43Å; V33-L37 WeakPolarHBondContact O-CG 3.42Å; V33-L37 PolarHBondContact O-N 3.47Å
34	G	65.4	Low	59.1	Low	36 Å²	36	90.7 Å²	90.7	37%	0.371	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-41.6	174.6	0	0	0	0	0	112.5	F30 S31 A32 L37 S38	F30-G34 WeakPolarHBondContact O-CA 3.47Å; F30-G34 PolarHBondContact O-N 2.95Å; S31-G34 CarbonylContact O-C 3.46Å; S31-G34 PolarHBondContact O-N 3.39Å; A32-G34 VanDerWaalsContact C-N 3.33Å; G34-L37 CarbonylContact O-C 3.59Å; G34-S38 VanDerWaalsContact O-CB 3.27Å; G34-S38 WeakPolarHBondContact O-CB 3.47Å; G34-S38 PolarHBondContact O-N 3.29Å
35	M	63.1	Low	58.4	Low	122 Å²	122	91.2 Å²	91.2	60%	0.601	49%	0.487	S	S	*	.	H	α-helix	trans	-65.9	-45	174.2	-82.6	-179.9	64.9	0	0	110.8	S31 A32 S38 E39	S31-M35 VanDerWaalsContact O-CB 3.23Å; S31-M35 WeakPolarHBondContact O-CB 3.34Å; S31-M35 VanDerWaalsContact O-CG 3.25Å; S31-M35 WeakPolarHBondContact O-CG 3.45Å; S31-M35 PolarHBondContact O-N 3.42Å; A32-M35 PolarHBondContact O-N 2.82Å; M35-S38 WeakPolarHBondContact CA-OG 3.41Å; M35-S38 CarbonylContact O-C 3.59Å; M35-S38 WeakPolarHBondContact O-CA 3.35Å; M35-S38 WeakPolarHBondContact O-CB 3.49Å; M35-S38 PolarHBondContact O-N 3.27Å; M35-S38 PolarHBondContact O-OG 3.07Å; M35-E39 PolarHBondContact O-N 3.28Å
36	W	63	Low	57.7	Low	149 Å²	149	89 Å²	89	56%	0.564	47%	0.474	S	S	*	.	H	α-helix	trans	-63	-45.3	176	-175.9	72.6	0	0	0	111.3	A32 V33 S38 E39 F40	A32-W36 WeakPolarHBondContact O-CB 3.45Å; A32-W36 PolarHBondContact O-N 2.86Å; V33-W36 PolarHBondContact O-N 3.1Å; W36-S38 PolarHBondContact O-N 3.46Å; W36-E39 WeakPolarHBondContact O-CB 3.19Å; W36-E39 PolarHBondContact O-N 3.46Å; W36-F40 HydrophobicContact CD2-CD2 4.45Å; W36-F40 AromaticContact CD2-CE2 3.63Å; W36-F40 HydrophobicContact CD2-CE2 3.63Å; W36-F40 HydrophobicContact CD2-CZ 4.47Å; W36-F40 AromaticContact CE2-CE2 3.48Å; W36-F40 VanDerWaalsContact CE2-CE2 3.48Å; W36-F40 AromaticContact CE2-CZ 3.88Å; W36-F40 HydrophobicContact CE3-CD2 4.41Å; W36-F40 AromaticContact CE3-CE2 3.63Å; W36-F40 HydrophobicContact CE3-CE2 3.63Å; W36-F40 HydrophobicContact CG-CE2 4.45Å; W36-F40 AromaticContact CH2-CE2 3.4Å; W36-F40 HydrophobicContact CH2-CE2 3.4Å; W36-F40 AromaticContact CH2-CZ 3.54Å; W36-F40 HydrophobicContact CH2-CZ 3.54Å; W36-F40 AromaticContact CZ2-CE2 3.39Å; W36-F40 HydrophobicContact CZ2-CE2 3.39Å; W36-F40 AromaticContact CZ2-CZ 3.4Å; W36-F40 HydrophobicContact CZ2-CZ 3.4Å; W36-F40 VanDerWaalsContact CZ2-CZ 3.4Å; W36-F40 AromaticContact CZ3-CE2 3.51Å; W36-F40 HydrophobicContact CZ3-CE2 3.51Å; W36-F40 HydrophobicContact CZ3-CZ 4.14Å; W36-F40 WeakPolarHBondContact O-CD2 3.44Å; W36-F40 PolarHBondContact O-N 3.21Å
37	L	56.5	Low	57.2	Low	103 Å²	103	91.7 Å²	91.7	54%	0.539	49%	0.492	S	S	.	.	H	α-helix	trans	-61.6	-29.3	170.2	-73.1	173.1	0	0	0	112.5	V33 G34 F40	V33-L37 HydrophobicContact CG1-CD1 3.73Å; V33-L37 HydrophobicContact CG1-CG 4.17Å; V33-L37 WeakPolarHBondContact O-CB 3.43Å; V33-L37 WeakPolarHBondContact O-CG 3.42Å; V33-L37 PolarHBondContact O-N 3.47Å; G34-L37 CarbonylContact O-C 3.59Å; L37-F40 HydrophobicContact CD2-CD2 4.48Å
38	S	54.7	Low	56.7	Low	49 Å²	49	90.5 Å²	90.5	34%	0.343	48%	0.482	S	S	.	.	H	α-helix	trans	-80.8	-22.8	173.1	89.2	0	0	0	0	113.4	G34 M35 W36 F40 R304	G34-S38 VanDerWaalsContact O-CB 3.27Å; G34-S38 WeakPolarHBondContact O-CB 3.47Å; G34-S38 PolarHBondContact O-N 3.29Å; M35-S38 WeakPolarHBondContact CA-OG 3.41Å; M35-S38 CarbonylContact O-C 3.59Å; M35-S38 WeakPolarHBondContact O-CA 3.35Å; M35-S38 WeakPolarHBondContact O-CB 3.49Å; M35-S38 PolarHBondContact O-N 3.27Å; M35-S38 PolarHBondContact O-OG 3.07Å; W36-S38 PolarHBondContact O-N 3.46Å; S38-F40 CarbonylContact C-O 3.51Å; S38-R304 PolarHBondContact O-NH1 2.89Å; S38-R304 PolarHBondContact O-NH2 3.48Å
39	E	48.9	Very low	56.1	Low	134 Å²	134	87.7 Å²	87.7	63%	0.626	47%	0.469	S	S	*	.	H	α-helix	trans	-80	-28.9	174.9	-84.8	-159.8	179.6	0	0	112.6	M35 W36 P41	M35-E39 PolarHBondContact O-N 3.28Å; W36-E39 WeakPolarHBondContact O-CB 3.19Å; W36-E39 PolarHBondContact O-N 3.46Å; E39-P41 WeakPolarHBondContact O-CD 3.4Å; E39-P41 VanDerWaalsContact O-N 3.08Å
40	F	51	Low	55.2	Low	93 Å²	93	89.6 Å²	89.6	41%	0.408	48%	0.484	S	S	.	.	S	Bend	trans	-52.4	125.9	149.4	-68.5	-79.9	0	0	0	104.8	W36 L37 S38	W36-F40 HydrophobicContact CD2-CD2 4.45Å; W36-F40 AromaticContact CD2-CE2 3.63Å; W36-F40 HydrophobicContact CD2-CE2 3.63Å; W36-F40 HydrophobicContact CD2-CZ 4.47Å; W36-F40 AromaticContact CE2-CE2 3.48Å; W36-F40 VanDerWaalsContact CE2-CE2 3.48Å; W36-F40 AromaticContact CE2-CZ 3.88Å; W36-F40 HydrophobicContact CE3-CD2 4.41Å; W36-F40 AromaticContact CE3-CE2 3.63Å; W36-F40 HydrophobicContact CE3-CE2 3.63Å; W36-F40 HydrophobicContact CG-CE2 4.45Å; W36-F40 AromaticContact CH2-CE2 3.4Å; W36-F40 HydrophobicContact CH2-CE2 3.4Å; W36-F40 AromaticContact CH2-CZ 3.54Å; W36-F40 HydrophobicContact CH2-CZ 3.54Å; W36-F40 AromaticContact CZ2-CE2 3.39Å; W36-F40 HydrophobicContact CZ2-CE2 3.39Å; W36-F40 AromaticContact CZ2-CZ 3.4Å; W36-F40 HydrophobicContact CZ2-CZ 3.4Å; W36-F40 VanDerWaalsContact CZ2-CZ 3.4Å; W36-F40 AromaticContact CZ3-CE2 3.51Å; W36-F40 HydrophobicContact CZ3-CE2 3.51Å; W36-F40 HydrophobicContact CZ3-CZ 4.14Å; W36-F40 WeakPolarHBondContact O-CD2 3.44Å; W36-F40 PolarHBondContact O-N 3.21Å; L37-F40 HydrophobicContact CD2-CD2 4.48Å; S38-F40 CarbonylContact C-O 3.51Å
41	P	43.6	Very low	54.1	Low	65 Å²	65	90.7 Å²	90.7	42%	0.422	49%	0.489	S	S	.	.			trans	-45.3	158.4	171	16	-25.7	0	0	0	107	E39 C43	E39-P41 WeakPolarHBondContact O-CD 3.4Å; E39-P41 VanDerWaalsContact O-N 3.08Å; P41-C43 PolarHBondContact O-N 3.05Å
42	K	41	Very low	53.4	Low	193 Å²	193	93 Å²	93	84%	0.839	50%	0.496	S	S	*	.			trans	-52.9	90	154.4	-74.9	-179.4	179.3	177.8	0	105.1	S44	K42-S44 PolarHBondContact O-N 3.09Å; K42-S44 PolarHBondContact O-OG 2.89Å
43	C	41.8	Very low	52.2	Low	66 Å²	66	92.6 Å²	92.6	45%	0.446	49%	0.49	S	S	.	.			trans	-72.6	62.7	158.7	-78.4	0	0	0	0	101	P41 Q45	P41-C43 PolarHBondContact O-N 3.05Å; C43-Q45 VanDerWaalsContact CA-N 3.32Å; C43-Q45 HydrophobicContact CB-CG 4.01Å; C43-Q45 PolarHBondContact O-N 3.33Å
44	S	43.9	Very low	51	Low	85 Å²	85	95.8 Å²	95.8	59%	0.594	52%	0.515	S	S	*	.			trans	-62.2	58.5	130.5	61.1	0	0	0	0	106.2	K42 S46 H135	K42-S44 PolarHBondContact O-N 3.09Å; K42-S44 PolarHBondContact O-OG 2.89Å; S44-S46 PolarHBondContact O-N 2.75Å; S44-H135 PolarHBondContact O-CD2 3.18Å; S44-H135 VanDerWaalsContact O-CD2 3.23Å
45	Q	46.2	Very low	50.3	Low	106 Å²	106	98.7 Å²	98.7	50%	0.495	53%	0.53	S	S	.	.			trans	-54.6	124	145.2	-73.3	-179.6	0.6	0	0	101.9	C43 V47 R134	C43-Q45 VanDerWaalsContact CA-N 3.32Å; C43-Q45 HydrophobicContact CB-CG 4.01Å; C43-Q45 PolarHBondContact O-N 3.33Å; Q45-V47 PolarHBondContact O-N 3.39Å; Q45-R134 WeakPolarHBondContact CA-O 3.28Å
46	S	50	Low	50.3	Low	12 Å²	12	95.1 Å²	95.1	8%	0.084	51%	0.511	C	S	.	.			trans	-58.1	96.1	170.6	41.6	0	0	0	0	106.1	S44 R48 R134 H135 F136	S44-S46 PolarHBondContact O-N 2.75Å; S46-R48 PolarHBondContact O-N 2.9Å; S46-R134 PolarHBondContact N-O 2.77Å; S46-R134 PolarHBondContact OG-O 2.97Å; S46-H135 WeakPolarHBondContact OG-CA 3.26Å; S46-F136 VanDerWaalsContact CB-CD2 3.43Å; S46-F136 WeakPolarHBondContact OG-CD2 3.25Å
47	V	51.5	Low	50.7	Low	113 Å²	113	90.1 Å²	90.1	69%	0.685	51%	0.506	S	S	*	.			trans	-68.2	112.2	179.1	179	0	0	0	0	105.5	Q45 V49 W93	Q45-V47 PolarHBondContact O-N 3.39Å; V47-V49 PolarHBondContact O-N 2.93Å; V47-W93 VanDerWaalsContact O-CH2 3.28Å; V47-W93 WeakPolarHBondContact O-CH2 3.05Å; V47-W93 VanDerWaalsContact O-CZ2 3.3Å; V47-W93 WeakPolarHBondContact O-CZ2 3.27Å
48	R	53.6	Low	51.8	Low	66 Å²	66	87.7 Å²	87.7	25%	0.249	50%	0.501	C	S	.	.			trans	-55.8	130.8	176.2	-66.7	179	-167.2	-178.7	-12.4	109.1	S46 T50 G128 H131	S46-R48 PolarHBondContact O-N 2.9Å; R48-T50 PolarHBondContact O-N 3.47Å; R48-G128 PolarHBondContact NH1-O 3.41Å; R48-G128 PolarHBondContact NH2-O 3.36Å; R48-H131 PolarHBondContact NH2-O 3.15Å
49	V	54.8	Low	53.3	Low	49 Å²	49	85.6 Å²	85.6	30%	0.297	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-74.4	116.9	173.9	-176.9	0	0	0	0	106.7	V47 K51 W93	V47-V49 PolarHBondContact O-N 2.93Å; V49-K51 HydrophobicContact CG1-CB 4Å; V49-W93 HydrophobicContact CG2-CD2 4.38Å; V49-W93 HydrophobicContact CG2-CG 4.33Å
50	T	51.9	Low	55.1	Low	123 Å²	123	79.4 Å²	79.4	76%	0.755	46%	0.457	S	S	*	.			trans	-76.6	-13.5	175.6	50.4	0	0	0	0	112.6	R48	R48-T50 PolarHBondContact O-N 3.47Å
51	K	48.1	Very low	56.5	Low	165 Å²	165	77.3 Å²	77.3	72%	0.717	45%	0.454	S	S	*	.	S	Bend	trans	-84.2	121.5	179.4	-148.8	175.4	-174.1	-178.3	0	108.9	V49 S53	V49-K51 HydrophobicContact CG1-CB 4Å; K51-S53 PolarHBondContact O-N 2.93Å
52	D	50.2	Low	57.9	Low	114 Å²	114	77.9 Å²	77.9	61%	0.61	46%	0.459	S	S	*	.			trans	-61.3	85	168	-68.5	-39.9	0	0	0	108.7	S54 S124	D52-S54 PolarHBondContact O-N 3.18Å; D52-S124 PolarHBondContact OD1-OG 2.98Å
53	S	44.5	Very low	59.4	Low	40 Å²	40	76 Å²	76	28%	0.28	45%	0.451	S	S	.	.			trans	-76.2	100.1	164.2	134.7	0	0	0	0	104.9	K51 S55 F56	K51-S53 PolarHBondContact O-N 2.93Å; S53-S55 PolarHBondContact O-N 3.45Å; S53-F56 WeakPolarHBondContact O-CD2 3.16Å; S53-F56 WeakPolarHBondContact OG-CD2 3.43Å; S53-F56 WeakPolarHBondContact OG-CE2 3.32Å; S53-F56 WeakPolarHBondContact OG-CZ 3.37Å
54	S	47.5	Very low	61.2	Low	128 Å²	128	73.2 Å²	73.2	90%	0.895	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	21.3	-175.2	54.3	0	0	0	0	114.5	D52	D52-S54 PolarHBondContact O-N 3.18Å
55	S	51.5	Low	62.9	Low	97 Å²	97	69.8 Å²	69.8	68%	0.678	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	26.6	-173.8	71.8	0	0	0	0	114.3	S53 G57	S53-S55 PolarHBondContact O-N 3.45Å; S55-G57 VanDerWaalsContact C-N 3.34Å; S55-G57 PolarHBondContact O-N 2.95Å; S55-G57 VanDerWaalsContact O-N 3.1Å
56	F	61.1	Low	64.8	Low	47 Å²	47	65 Å²	65	21%	0.206	39%	0.385	C	S	.	.			trans	-82.2	84.6	170.1	-71.4	-51.3	0	0	0	109.2	S53 N92 W93 L122	S53-F56 WeakPolarHBondContact O-CD2 3.16Å; S53-F56 WeakPolarHBondContact OG-CD2 3.43Å; S53-F56 WeakPolarHBondContact OG-CE2 3.32Å; S53-F56 WeakPolarHBondContact OG-CZ 3.37Å; F56-N92 WeakPolarHBondContact CA-ND2 3.49Å; F56-N92 HydrophobicContact CB-CB 4.42Å; F56-N92 VanDerWaalsContact CB-ND2 3.31Å; F56-N92 WeakPolarHBondContact CB-ND2 3.16Å; F56-N92 HydrophobicContact CD1-CB 3.59Å; F56-N92 HydrophobicContact CE1-CB 4.25Å; F56-N92 HydrophobicContact CG-CB 4.27Å; F56-W93 HydrophobicContact CE1-CB 4.33Å; F56-W93 AromaticContact CZ-CD1 3.86Å; F56-L122 HydrophobicContact CD2-CD1 4.37Å; F56-L122 HydrophobicContact CD2-CD2 3.76Å; F56-L122 HydrophobicContact CD2-CG 4.12Å; F56-L122 HydrophobicContact CE2-CD2 3.94Å
57	G	72	Confident	66.2	Low	44 Å²	44	65.7 Å²	65.7	45%	0.454	39%	0.386	S	S	.	.			trans	-64	177.8	173.9	0	0	0	0	0	113.2	S55 N92	S55-G57 VanDerWaalsContact C-N 3.34Å; S55-G57 PolarHBondContact O-N 2.95Å; S55-G57 VanDerWaalsContact O-N 3.1Å; G57-N92 PolarHBondContact O-ND2 2.95Å
58	A	80.5	Confident	67.9	Low	53 Å²	53	62 Å²	62	44%	0.438	36%	0.363	S	S	.	.			trans	-57.9	138.4	174.4	0	0	0	0	0	111.6	F60 D68 A70	A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 WeakPolarHBondContact CB-O 3.32Å; A58-D68 HydrophobicContact CB-CB 4.06Å; A58-D68 WeakPolarHBondContact CB-OD2 3.14Å; A58-A70 HydrophobicContact CB-CB 3.79Å
59	L	86	Confident	69.2	Low	4 Å²	4	60.4 Å²	60.4	2%	0.021	36%	0.359	C	S	.	.	S	Bend	trans	-65.8	-39.4	172.3	176.1	63.4	0	0	0	110.3	D68 Y90 N98 R101	L59-D68 WeakPolarHBondContact CA-OD2 3.33Å; L59-D68 PolarHBondContact N-OD2 3.43Å; L59-Y90 HydrophobicContact CB-CD1 4.36Å; L59-Y90 HydrophobicContact CB-CD2 3.74Å; L59-Y90 HydrophobicContact CB-CE1 3.96Å; L59-Y90 HydrophobicContact CB-CE2 3.36Å; L59-Y90 HydrophobicContact CB-CG 4.25Å; L59-Y90 VanDerWaalsContact CB-CZ 3.43Å; L59-Y90 HydrophobicContact CD2-CD1 4.05Å; L59-Y90 HydrophobicContact CD2-CD2 3.68Å; L59-Y90 HydrophobicContact CD2-CE1 4.47Å; L59-Y90 HydrophobicContact CD2-CE2 4.21Å; L59-Y90 HydrophobicContact CD2-CG 3.61Å; L59-Y90 HydrophobicContact CG-CD2 4.27Å; L59-Y90 HydrophobicContact CG-CE2 4.36Å; L59-Y90 PolarHBondContact N-OH 2.88Å; L59-N98 WeakPolarHBondContact CD1-OD1 3.4Å; L59-R101 HydrophobicContact CG-CG 4.46Å; L59-R101 WeakPolarHBondContact O-CD 3.29Å; L59-R101 PolarHBondContact O-NE 2.89Å; L59-R101 PolarHBondContact O-NH1 3.34Å
60	F	86.5	Confident	70.1	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.018	35%	0.353	C	S	.	.	S	Bend	trans	-99.8	144.5	178.2	-58.6	-92.8	0	0	0	111.3	A58 V66 D68 L88 R101 F104 E105 A117	A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 WeakPolarHBondContact CB-O 3.32Å; F60-V66 HydrophobicContact CD1-CB 3.86Å; F60-V66 HydrophobicContact CD1-CG1 4.09Å; F60-V66 HydrophobicContact CD1-CG2 4.11Å; F60-V66 HydrophobicContact CD2-CB 4.46Å; F60-V66 HydrophobicContact CD2-CG1 3.91Å; F60-V66 HydrophobicContact CE1-CB 4.13Å; F60-V66 HydrophobicContact CE1-CG1 4.08Å; F60-V66 HydrophobicContact CE1-CG2 4.02Å; F60-V66 HydrophobicContact CE2-CG1 3.94Å; F60-V66 HydrophobicContact CG-CB 4.03Å; F60-V66 HydrophobicContact CG-CG1 4Å; F60-V66 HydrophobicContact CZ-CG1 4.02Å; F60-D68 HydrophobicContact CB-CB 4.14Å; F60-D68 HydrophobicContact CD2-CB 4.42Å; F60-D68 PolarHBondContact N-OD2 2.84Å; F60-L88 HydrophobicContact CE2-CD2 3.88Å; F60-L88 HydrophobicContact CZ-CD2 3.74Å; F60-R101 HydrophobicContact CD1-CG 3.73Å; F60-R101 HydrophobicContact CE1-CB 4.34Å; F60-R101 HydrophobicContact CE1-CG 3.67Å; F60-R101 WeakPolarHBondContact CE1-O 3.37Å; F60-R101 HydrophobicContact CG-CG 4.48Å; F60-R101 HydrophobicContact CZ-CG 4.34Å; F60-F104 HydrophobicContact CE1-CB 3.86Å; F60-F104 HydrophobicContact CZ-CB 3.91Å; F60-E105 HydrophobicContact CD1-CG 3.61Å; F60-E105 HydrophobicContact CE1-CG 3.9Å; F60-A117 HydrophobicContact CD2-CB 3.52Å; F60-A117 HydrophobicContact CE2-CB 3.37Å; F60-A117 HydrophobicContact CZ-CB 4.48Å
61	S	81.1	Confident	70.8	Confident	49 Å²	49	60.8 Å²	60.8	34%	0.343	36%	0.358	S	S	.	.			trans	-73.4	159.8	178.4	75.6	0	0	0	0	111.9	K63 S64	S61-K63 PolarHBondContact O-N 2.91Å; S61-K63 VanDerWaalsContact O-N 3.13Å; S61-K63 PolarHBondContact OG-N 2.83Å; S61-S64 WeakPolarHBondContact O-CB 3.4Å; S61-S64 PolarHBondContact O-N 3.34Å; S61-S64 PolarHBondContact OG-N 2.68Å
62	S	71.6	Confident	71.2	Confident	78 Å²	78	55 Å²	55	55%	0.545	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.1	172.8	55.6	0	0	0	0	114.1	S64 H439	S62-S64 VanDerWaalsContact C-N 3.33Å; S62-H439 PolarHBondContact O-CE1 3.4Å; S62-H439 PolarHBondContact O-ND1 3.04Å
63	K	72.9	Confident	71.4	Confident	153 Å²	153	52.5 Å²	52.5	67%	0.665	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-12.6	173.2	-63.6	179.3	-177.7	173.4	0	112.7	S61	S61-K63 PolarHBondContact O-N 2.91Å; S61-K63 VanDerWaalsContact O-N 3.13Å; S61-K63 PolarHBondContact OG-N 2.83Å
64	S	79.9	Confident	71.9	Confident	8 Å²	8	51 Å²	51	6%	0.056	32%	0.318	C	S	.	.	S	Bend	trans	-70	147.1	176.7	-177.1	0	0	0	0	110.7	S61 S62 V66 E105	S61-S64 WeakPolarHBondContact O-CB 3.4Å; S61-S64 PolarHBondContact O-N 3.34Å; S61-S64 PolarHBondContact OG-N 2.68Å; S62-S64 VanDerWaalsContact C-N 3.33Å; S64-V66 VanDerWaalsContact C-N 3.28Å; S64-V66 WeakPolarHBondContact OG-CB 3.41Å; S64-V66 PolarHBondContact OG-N 3.35Å; S64-E105 WeakPolarHBondContact OG-CG 3.48Å
65	N	79.7	Confident	72	Confident	13 Å²	13	48.9 Å²	48.9	7%	0.07	30%	0.296	C	S	.	.	S	Bend	trans	-83.8	-7.1	169.8	-65.5	-43.4	0	0	0	112.2	Q108 N109 H439 S443	N65-Q108 VanDerWaalsContact C-CG 3.47Å; N65-Q108 HydrophobicContact CB-CG 3.81Å; N65-Q108 VanDerWaalsContact O-CG 3.27Å; N65-Q108 WeakPolarHBondContact O-CG 3.3Å; N65-N109 PolarHBondContact ND2-OD1 3.36Å; N65-H439 PolarHBondContact OD1-O 3.05Å; N65-S443 VanDerWaalsContact ND2-CA 3.28Å; N65-S443 WeakPolarHBondContact ND2-CA 3.39Å; N65-S443 WeakPolarHBondContact ND2-CB 3.36Å; N65-S443 PolarHBondContact ND2-N 3.4Å
66	V	84.9	Confident	72	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.03	29%	0.29	C	S	.	.	S	Bend	trans	-79.1	126.6	170.4	-179.5	0	0	0	0	108.5	F60 S64 D68 F104 Q108 I115 A117	F60-V66 HydrophobicContact CD1-CB 3.86Å; F60-V66 HydrophobicContact CD1-CG1 4.09Å; F60-V66 HydrophobicContact CD1-CG2 4.11Å; F60-V66 HydrophobicContact CD2-CB 4.46Å; F60-V66 HydrophobicContact CD2-CG1 3.91Å; F60-V66 HydrophobicContact CE1-CB 4.13Å; F60-V66 HydrophobicContact CE1-CG1 4.08Å; F60-V66 HydrophobicContact CE1-CG2 4.02Å; F60-V66 HydrophobicContact CE2-CG1 3.94Å; F60-V66 HydrophobicContact CG-CB 4.03Å; F60-V66 HydrophobicContact CG-CG1 4Å; F60-V66 HydrophobicContact CZ-CG1 4.02Å; S64-V66 VanDerWaalsContact C-N 3.28Å; S64-V66 WeakPolarHBondContact OG-CB 3.41Å; S64-V66 PolarHBondContact OG-N 3.35Å; V66-D68 PolarHBondContact O-N 3.12Å; V66-F104 HydrophobicContact CG2-CB 4.4Å; V66-Q108 HydrophobicContact CG2-CB 3.69Å; V66-Q108 HydrophobicContact CG2-CG 3.96Å; V66-I115 HydrophobicContact CG1-CG2 4.23Å; V66-A117 HydrophobicContact CG1-CB 3.94Å
67	Y	81.3	Confident	71.4	Confident	26 Å²	26	55.3 Å²	55.3	10%	0.102	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	105.1	-176.8	-64	-88.8	0	0	0	110.4	N114 I115 F116 A117 H439 K440	Y67-N114 HydrophobicContact CE2-CB 4.31Å; Y67-I115 PolarHBondContact N-O 3.25Å; Y67-I115 VanDerWaalsContact N-O 3.08Å; Y67-F116 HydrophobicContact CD2-CD1 4.32Å; Y67-F116 HydrophobicContact CD2-CE1 4.13Å; Y67-F116 HydrophobicContact CG-CD1 4.11Å; Y67-F116 HydrophobicContact CG-CE1 4.06Å; Y67-F116 CarbonylContact O-C 3.59Å; Y67-F116 WeakPolarHBondContact O-CA 3.5Å; Y67-A117 PolarHBondContact O-N 3.38Å; Y67-H439 HydrophobicContact CD1-CB 4.3Å; Y67-H439 HydrophobicContact CE1-CB 3.59Å; Y67-K440 PolarHBondContact OH-N 2.84Å
68	D	86.2	Confident	70.5	Confident	35 Å²	35	58.9 Å²	58.9	19%	0.187	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	109.1	-179.8	-158	-31.3	0	0	0	112.7	A58 L59 F60 V66 A70 Y90	A58-D68 HydrophobicContact CB-CB 4.06Å; A58-D68 WeakPolarHBondContact CB-OD2 3.14Å; L59-D68 WeakPolarHBondContact CA-OD2 3.33Å; L59-D68 PolarHBondContact N-OD2 3.43Å; F60-D68 HydrophobicContact CB-CB 4.14Å; F60-D68 HydrophobicContact CD2-CB 4.42Å; F60-D68 PolarHBondContact N-OD2 2.84Å; V66-D68 PolarHBondContact O-N 3.12Å; D68-A70 VanDerWaalsContact C-N 3.25Å; D68-A70 PolarHBondContact O-N 2.82Å; D68-A70 WeakPolarHBondContact OD1-CA 3.07Å; D68-A70 WeakPolarHBondContact OD1-CB 3.37Å; D68-A70 PolarHBondContact OD1-N 3.5Å; D68-A70 VanDerWaalsContact OD1-N 3.17Å; D68-Y90 VanDerWaalsContact CG-OH 3.24Å; D68-Y90 PolarHBondContact OD1-OH 2.98Å; D68-Y90 PolarHBondContact OD2-OH 3.28Å
69	L	80.6	Confident	69.2	Low	34 Å²	34	57.4 Å²	57.4	18%	0.178	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	53.1	176.8	-66.2	-177.5	0	0	0	110.2	N71 S72 Y74 F116 A117 V118	L69-N71 PolarHBondContact O-N 3.24Å; L69-S72 WeakPolarHBondContact CA-OG 3.2Å; L69-S72 WeakPolarHBondContact CB-OG 3.33Å; L69-S72 PolarHBondContact O-OG 3.4Å; L69-Y74 HydrophobicContact CD1-CD2 4.26Å; L69-F116 HydrophobicContact CD1-CB 4.36Å; L69-F116 HydrophobicContact CD1-CD1 4.36Å; L69-A117 WeakPolarHBondContact CB-O 3.47Å; L69-A117 PolarHBondContact N-O 3.31Å; L69-V118 HydrophobicContact CB-CG2 4.28Å; L69-V118 HydrophobicContact CD1-CG2 4.37Å
70	A	74.1	Confident	67.5	Low	21 Å²	21	60.1 Å²	60.1	17%	0.174	32%	0.323	C	S	.	.	S	Bend	trans	-64.6	-39.4	-170.5	0	0	0	0	0	114.4	A58 D68	A58-A70 HydrophobicContact CB-CB 3.79Å; D68-A70 VanDerWaalsContact C-N 3.25Å; D68-A70 PolarHBondContact O-N 2.82Å; D68-A70 WeakPolarHBondContact OD1-CA 3.07Å; D68-A70 WeakPolarHBondContact OD1-CB 3.37Å; D68-A70 PolarHBondContact OD1-N 3.5Å; D68-A70 VanDerWaalsContact OD1-N 3.17Å
71	N	66.9	Low	65.9	Low	159 Å²	159	63.8 Å²	63.8	85%	0.85	35%	0.349	S	S	*	.	S	Bend	trans	-100.4	-16.1	-176.4	-70.2	-11.2	0	0	0	113.2	L69	L69-N71 PolarHBondContact O-N 3.24Å
72	S	56.8	Low	64.7	Low	43 Å²	43	67.3 Å²	67.3	30%	0.301	37%	0.369	S	S	.	.	S	Bend	trans	-87.3	141.8	-170.8	44.8	0	0	0	0	111.5	L69 Y74	L69-S72 WeakPolarHBondContact CA-OG 3.2Å; L69-S72 WeakPolarHBondContact CB-OG 3.33Å; L69-S72 PolarHBondContact O-OG 3.4Å; S72-Y74 PolarHBondContact O-N 3.41Å
73	S	54.4	Low	64.6	Low	61 Å²	61	66.8 Å²	66.8	43%	0.427	36%	0.362	S	S	.	.			trans	-52.5	108.4	151.2	39	0	0	0	0	108.7	D75	S73-D75 VanDerWaalsContact C-N 3.28Å; S73-D75 PolarHBondContact O-N 2.92Å
74	Y	53.3	Low	65	Low	8 Å²	8	61 Å²	61	3%	0.031	34%	0.339	C	S	.	.			trans	-61.6	100.4	161.1	176.9	-97.2	0	0	0	106.9	L69 S72 I76 V87 V118 H142	L69-Y74 HydrophobicContact CD1-CD2 4.26Å; S72-Y74 PolarHBondContact O-N 3.41Å; Y74-I76 HydrophobicContact CE1-CG1 3.88Å; Y74-V87 HydrophobicContact CD2-CG1 4.49Å; Y74-V87 HydrophobicContact CE2-CG1 3.96Å; Y74-V87 HydrophobicContact CE2-CG2 3.94Å; Y74-V87 WeakPolarHBondContact OH-CG2 3.44Å; Y74-V118 HydrophobicContact CD2-CG2 3.58Å; Y74-V118 HydrophobicContact CE2-CG2 4.34Å; Y74-V118 HydrophobicContact CG-CG1 4.4Å; Y74-V118 HydrophobicContact CG-CG2 3.96Å; Y74-H142 PolarHBondContact OH-NE2 2.74Å
75	D	50.8	Low	65.3	Low	84 Å²	84	60.6 Å²	60.6	45%	0.449	34%	0.337	S	S	.	.			trans	-89.2	138.4	160.1	-122.1	-35	0	0	0	107	S73 E77 Y78	S73-D75 VanDerWaalsContact C-N 3.28Å; S73-D75 PolarHBondContact O-N 2.92Å; D75-E77 HydrophobicContact CB-CB 4.46Å; D75-E77 PolarHBondContact O-N 3.45Å; D75-Y78 WeakPolarHBondContact O-CD2 3.47Å; D75-Y78 PolarHBondContact O-N 2.03Å
76	I	50.3	Low	65.8	Low	105 Å²	105	60 Å²	60	54%	0.538	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-57.6	-16.3	178.3	-70.4	163.7	0	0	0	111.1	Y74 Y78 T79	Y74-I76 HydrophobicContact CE1-CG1 3.88Å; I76-Y78 PolarHBondContact O-N 3.49Å; I76-T79 PolarHBondContact O-N 2.96Å; I76-T79 VanDerWaalsContact O-N 3.16Å; I76-T79 PolarHBondContact O-OG1 3.21Å
77	E	49.6	Very low	66	Low	175 Å²	175	59.8 Å²	59.8	82%	0.818	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-56.9	-17.5	174.1	-78.2	-170	151.8	0	0	115.3	D75 T79	D75-E77 HydrophobicContact CB-CB 4.46Å; D75-E77 PolarHBondContact O-N 3.45Å; E77-T79 VanDerWaalsContact C-N 3.35Å
78	Y	52.8	Low	66.5	Low	119 Å²	119	58.6 Å²	58.6	47%	0.467	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-79.6	-11.5	177.8	-69.3	-74.6	0	0	0	114.5	D75 I76 P80	D75-Y78 WeakPolarHBondContact O-CD2 3.47Å; D75-Y78 PolarHBondContact O-N 2.03Å; I76-Y78 PolarHBondContact O-N 3.49Å; Y78-P80 WeakPolarHBondContact O-CD 3.42Å
79	T	52.6	Low	66.7	Low	22 Å²	22	57 Å²	57	14%	0.135	32%	0.319	C	S	.	.	S	Bend	trans	-81.5	116.3	171.5	52.8	0	0	0	0	108.8	I76 E77 S81 S85 H142	I76-T79 PolarHBondContact O-N 2.96Å; I76-T79 VanDerWaalsContact O-N 3.16Å; I76-T79 PolarHBondContact O-OG1 3.21Å; E77-T79 VanDerWaalsContact C-N 3.35Å; T79-S81 PolarHBondContact O-N 2.91Å; T79-S81 VanDerWaalsContact O-N 3.14Å; T79-S85 WeakPolarHBondContact CG2-OG 3.45Å; T79-H142 HydrophobicContact CG2-CB 4.49Å
80	P	51.3	Low	67.1	Low	61 Å²	61	55.3 Å²	55.3	40%	0.396	31%	0.31	S	S	.	.			trans	-57.2	127.3	170.6	-14.2	26.9	0	0	0	107.2	Y78 T82 T83	Y78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-T82 PolarHBondContact O-N 3.45Å; P80-T83 HydrophobicContact CB-CG2 4.39Å; P80-T83 WeakPolarHBondContact CB-OG1 3.31Å; P80-T83 VanDerWaalsContact CG-OG1 3.32Å; P80-T83 WeakPolarHBondContact CG-OG1 3.46Å; P80-T83 PolarHBondContact O-N 3.44Å
81	S	52.6	Low	67.7	Low	81 Å²	81	54.3 Å²	54.3	57%	0.566	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-10.2	-172	51.8	0	0	0	0	114.4	T79 P145	T79-S81 PolarHBondContact O-N 2.91Å; T79-S81 VanDerWaalsContact O-N 3.14Å; S81-P145 WeakPolarHBondContact O-CD 3.22Å; S81-P145 WeakPolarHBondContact O-CG 3.46Å
82	T	55.7	Low	68.6	Low	123 Å²	123	48.1 Å²	48.1	76%	0.755	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	-5.7	-174.6	58.1	0	0	0	0	114.6	P80	P80-T82 PolarHBondContact O-N 3.45Å
83	T	69.9	Low	69.7	Low	66 Å²	66	50 Å²	50	41%	0.405	27%	0.27	S	S	.	.	S	Bend	trans	-113.2	135.5	-174.1	63.4	0	0	0	0	112.5	P80 S85	P80-T83 HydrophobicContact CB-CG2 4.39Å; P80-T83 WeakPolarHBondContact CB-OG1 3.31Å; P80-T83 VanDerWaalsContact CG-OG1 3.32Å; P80-T83 WeakPolarHBondContact CG-OG1 3.46Å; P80-T83 PolarHBondContact O-N 3.44Å; T83-S85 PolarHBondContact O-N 2.7Å
84	V	80.9	Confident	71.2	Confident	31 Å²	31	48.1 Å²	48.1	19%	0.188	26%	0.255	C	S	.	.			trans	-58.4	126.6	170.7	176.9	0	0	0	0	109.7	Y113 V141 H142 T143 I167	V84-Y113 HydrophobicContact CB-CD1 3.58Å; V84-Y113 HydrophobicContact CB-CE1 3.71Å; V84-Y113 HydrophobicContact CB-CG 4.25Å; V84-Y113 HydrophobicContact CG1-CD1 3.82Å; V84-Y113 HydrophobicContact CG1-CD2 4.39Å; V84-Y113 HydrophobicContact CG1-CE1 4.02Å; V84-Y113 HydrophobicContact CG1-CG 4Å; V84-Y113 HydrophobicContact CG2-CE1 4.21Å; V84-V141 HydrophobicContact CG1-CG1 4.04Å; V84-H142 CarbonylContact C-O 3.57Å; V84-H142 VanDerWaalsContact CA-O 3.26Å; V84-H142 WeakPolarHBondContact CA-O 3.41Å; V84-T143 HydrophobicContact CG1-CG2 4.41Å; V84-T143 HydrophobicContact CG2-CG2 4.49Å; V84-I167 HydrophobicContact CG1-CG2 3.74Å; V84-I167 HydrophobicContact CG2-CG2 4.16Å
85	S	85.9	Confident	72.7	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.6	179.8	53.4	0	0	0	0	111.9	T79 T83 N114 V141 H142	T79-S85 WeakPolarHBondContact CG2-OG 3.45Å; T83-S85 PolarHBondContact O-N 2.7Å; S85-N114 CarbonylContact C-O 3.06Å; S85-N114 WeakPolarHBondContact CA-O 3.32Å; S85-V141 CarbonylContact O-C 3.4Å; S85-V141 WeakPolarHBondContact O-CA 3.33Å; S85-H142 PolarHBondContact N-O 2.85Å; S85-H142 PolarHBondContact O-N 2.88Å
86	G	89.8	Confident	74.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	139	173	0	0	0	0	0	110.8	N114 I115 F116 N140	G86-N114 PolarHBondContact N-O 3.43Å; G86-I115 CarbonylContact O-C 3.54Å; G86-I115 VanDerWaalsContact O-CA 3.28Å; G86-I115 WeakPolarHBondContact O-CA 3.44Å; G86-F116 PolarHBondContact O-N 3.25Å; G86-N140 CarbonylContact C-O 3.57Å
87	V	89.5	Confident	76.3	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	107.1	175.8	177.1	0	0	0	0	108.2	Y74 L89 F116 V118 N140 H142	Y74-V87 HydrophobicContact CD2-CG1 4.49Å; Y74-V87 HydrophobicContact CE2-CG1 3.96Å; Y74-V87 HydrophobicContact CE2-CG2 3.94Å; Y74-V87 WeakPolarHBondContact OH-CG2 3.44Å; V87-L89 HydrophobicContact CG1-CD2 3.64Å; V87-F116 CarbonylContact C-O 3.57Å; V87-F116 VanDerWaalsContact CA-O 3.25Å; V87-F116 WeakPolarHBondContact CA-O 3.25Å; V87-F116 HydrophobicContact CG2-CB 4.44Å; V87-V118 HydrophobicContact CG1-CG2 4.04Å; V87-N140 HydrophobicContact CB-CB 4.47Å; V87-N140 PolarHBondContact N-O 3.43Å; V87-N140 PolarHBondContact O-N 3.08Å; V87-H142 VanDerWaalsContact CG2-CD2 3.49Å; V87-H142 WeakPolarHBondContact CG2-CD2 3.43Å
88	L	92.3	Very high	78.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	101.4	-179.7	180	66.9	0	0	0	109.7	F60 F104 I115 F116 A117 V118 P137 L139	F60-L88 HydrophobicContact CE2-CD2 3.88Å; F60-L88 HydrophobicContact CZ-CD2 3.74Å; L88-F104 HydrophobicContact CD1-CE1 4.13Å; L88-F104 HydrophobicContact CD1-CE2 3.8Å; L88-F104 HydrophobicContact CD1-CZ 3.55Å; L88-F104 HydrophobicContact CD2-CD1 4.11Å; L88-F104 HydrophobicContact CD2-CD2 3.83Å; L88-F104 HydrophobicContact CD2-CE1 4.19Å; L88-F104 HydrophobicContact CD2-CE2 3.92Å; L88-F104 HydrophobicContact CD2-CG 3.94Å; L88-F104 HydrophobicContact CD2-CZ 4.09Å; L88-F104 HydrophobicContact CG-CZ 4.36Å; L88-I115 HydrophobicContact CB-CG2 4.32Å; L88-F116 PolarHBondContact N-O 2.92Å; L88-A117 HydrophobicContact CB-CB 4.45Å; L88-A117 CarbonylContact O-C 3.59Å; L88-A117 WeakPolarHBondContact O-CA 3.33Å; L88-V118 PolarHBondContact O-N 2.88Å; L88-P137 HydrophobicContact CD1-CB 3.82Å; L88-L139 HydrophobicContact CB-CD1 4.43Å; L88-L139 HydrophobicContact CD1-CB 4.34Å
89	L	90.1	Very high	79.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120	172.1	-47.4	-174.4	0	0	0	108.8	V87 V118 H131 V133 F136 P137 L138	V87-L89 HydrophobicContact CG1-CD2 3.64Å; L89-V118 WeakPolarHBondContact CA-O 3.33Å; L89-V118 HydrophobicContact CD2-CB 3.97Å; L89-V118 HydrophobicContact CD2-CG2 4.4Å; L89-H131 HydrophobicContact CD1-CB 4.24Å; L89-V133 HydrophobicContact CB-CG2 4.29Å; L89-V133 HydrophobicContact CD1-CG2 3.7Å; L89-F136 WeakPolarHBondContact O-CD1 3.49Å; L89-P137 WeakPolarHBondContact O-CA 3.49Å; L89-L138 HydrophobicContact CB-CB 4.27Å; L89-L138 HydrophobicContact CD1-CD2 4.27Å; L89-L138 PolarHBondContact N-O 3.27Å; L89-L138 PolarHBondContact O-N 3.47Å
90	Y	90.4	Very high	81.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	170.6	-175.8	74.1	-96.7	0	0	0	112.7	L59 D68 N92 A117 V118 N119 C120 G121 F136	L59-Y90 HydrophobicContact CB-CD1 4.36Å; L59-Y90 HydrophobicContact CB-CD2 3.74Å; L59-Y90 HydrophobicContact CB-CE1 3.96Å; L59-Y90 HydrophobicContact CB-CE2 3.36Å; L59-Y90 HydrophobicContact CB-CG 4.25Å; L59-Y90 VanDerWaalsContact CB-CZ 3.43Å; L59-Y90 HydrophobicContact CD2-CD1 4.05Å; L59-Y90 HydrophobicContact CD2-CD2 3.68Å; L59-Y90 HydrophobicContact CD2-CE1 4.47Å; L59-Y90 HydrophobicContact CD2-CE2 4.21Å; L59-Y90 HydrophobicContact CD2-CG 3.61Å; L59-Y90 HydrophobicContact CG-CD2 4.27Å; L59-Y90 HydrophobicContact CG-CE2 4.36Å; L59-Y90 PolarHBondContact N-OH 2.88Å; D68-Y90 VanDerWaalsContact CG-OH 3.24Å; D68-Y90 PolarHBondContact OD1-OH 2.98Å; D68-Y90 PolarHBondContact OD2-OH 3.28Å; Y90-N92 WeakPolarHBondContact CE2-OD1 3.39Å; Y90-A117 HydrophobicContact CD1-CB 3.93Å; Y90-A117 HydrophobicContact CE1-CB 3.73Å; Y90-V118 VanDerWaalsContact CD1-O 3.3Å; Y90-V118 WeakPolarHBondContact CD1-O 3.46Å; Y90-V118 VanDerWaalsContact CE1-C 3.47Å; Y90-V118 PolarHBondContact N-O 3.35Å; Y90-N119 HydrophobicContact CE1-CB 4.27Å; Y90-N119 HydrophobicContact CE2-CB 3.75Å; Y90-C120 PolarHBondContact O-N 3.32Å; Y90-G121 PolarHBondContact O-N 3.46Å; Y90-F136 VanDerWaalsContact C-CD1 3.48Å
91	A	86.9	Confident	83.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.236	C	C	.	.			trans	-136.3	134.5	166.3	0	0	0	0	0	110.8	W93 D94 S97 F136	A91-W93 VanDerWaalsContact C-N 3.3Å; A91-W93 HydrophobicContact CB-CD2 4.36Å; A91-W93 HydrophobicContact CB-CZ2 4.16Å; A91-W93 PolarHBondContact O-N 3.47Å; A91-D94 HydrophobicContact CB-CB 4.09Å; A91-D94 WeakPolarHBondContact O-CB 3.45Å; A91-D94 PolarHBondContact O-N 3.38Å; A91-D94 VanDerWaalsContact O-N 3.1Å; A91-S97 WeakPolarHBondContact O-CB 3.31Å; A91-F136 HydrophobicContact CB-CB 4.42Å; A91-F136 HydrophobicContact CB-CD1 4.31Å; A91-F136 HydrophobicContact CB-CD2 3.47Å; A91-F136 VanDerWaalsContact CB-CD2 3.47Å; A91-F136 HydrophobicContact CB-CE1 4.48Å; A91-F136 HydrophobicContact CB-CE2 3.71Å; A91-F136 HydrophobicContact CB-CG 3.83Å; A91-F136 HydrophobicContact CB-CZ 4.21Å
92	N	85	Confident	85	Confident	28 Å²	28	39.8 Å²	39.8	15%	0.15	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.3	-174.6	-77.7	-24.7	0	0	0	115.6	F56 G57 Y90 D94 N98 N119	F56-N92 WeakPolarHBondContact CA-ND2 3.49Å; F56-N92 HydrophobicContact CB-CB 4.42Å; F56-N92 VanDerWaalsContact CB-ND2 3.31Å; F56-N92 WeakPolarHBondContact CB-ND2 3.16Å; F56-N92 HydrophobicContact CD1-CB 3.59Å; F56-N92 HydrophobicContact CE1-CB 4.25Å; F56-N92 HydrophobicContact CG-CB 4.27Å; G57-N92 PolarHBondContact O-ND2 2.95Å; Y90-N92 WeakPolarHBondContact CE2-OD1 3.39Å; N92-D94 VanDerWaalsContact C-N 3.28Å; N92-N98 PolarHBondContact O-ND2 3.45Å; N92-N119 PolarHBondContact ND2-ND2 2.89Å
93	W	80.2	Confident	86.7	Confident	84 Å²	84	35.8 Å²	35.8	32%	0.318	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.2	178.3	52.3	-101.2	0	0	0	112.2	V47 V49 F56 A91	V47-W93 VanDerWaalsContact O-CH2 3.28Å; V47-W93 WeakPolarHBondContact O-CH2 3.05Å; V47-W93 VanDerWaalsContact O-CZ2 3.3Å; V47-W93 WeakPolarHBondContact O-CZ2 3.27Å; V49-W93 HydrophobicContact CG2-CD2 4.38Å; V49-W93 HydrophobicContact CG2-CG 4.33Å; F56-W93 HydrophobicContact CE1-CB 4.33Å; F56-W93 AromaticContact CZ-CD1 3.86Å; A91-W93 VanDerWaalsContact C-N 3.3Å; A91-W93 HydrophobicContact CB-CD2 4.36Å; A91-W93 HydrophobicContact CB-CZ2 4.16Å; A91-W93 PolarHBondContact O-N 3.47Å
94	D	86	Confident	87.8	Confident	21 Å²	21	32.7 Å²	32.7	11%	0.112	19%	0.185	C	C	.	.			trans	-82.4	122.9	-178.1	179.2	-111.4	0	0	0	110.2	A91 N92 D96 S97 N98 F136	A91-D94 HydrophobicContact CB-CB 4.09Å; A91-D94 WeakPolarHBondContact O-CB 3.45Å; A91-D94 PolarHBondContact O-N 3.38Å; A91-D94 VanDerWaalsContact O-N 3.1Å; N92-D94 VanDerWaalsContact C-N 3.28Å; D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 PolarHBondContact O-N 2.86Å; D94-S97 PolarHBondContact O-N 3.43Å; D94-S97 WeakPolarHBondContact OD1-CB 3.49Å; D94-S97 PolarHBondContact OD1-N 3.23Å; D94-S97 PolarHBondContact OD1-OG 2.95Å; D94-N98 PolarHBondContact O-N 3.11Å; D94-N98 PolarHBondContact O-ND2 2.81Å; D94-F136 HydrophobicContact CB-CB 4.08Å; D94-F136 WeakPolarHBondContact OD1-CB 3.38Å
95	A	84.3	Confident	88.1	Confident	74 Å²	74	33.2 Å²	33.2	61%	0.612	19%	0.185	S	C	*	.	H	α-helix	trans	-64.1	-39.3	-175.3	0	0	0	0	0	111.7	N98 S99	A95-N98 PolarHBondContact O-N 2.86Å; A95-S99 WeakPolarHBondContact O-CB 3.39Å; A95-S99 PolarHBondContact O-N 3.39Å
96	D	86.3	Confident	88.2	Confident	96 Å²	96	33.7 Å²	33.7	51%	0.513	19%	0.19	S	C	.	.	H	α-helix	trans	-65.9	-43.5	-179.6	-67.3	-18.3	0	0	0	110.3	D94 N98 S99 V100	D94-D96 VanDerWaalsContact C-N 3.32Å; D94-D96 PolarHBondContact O-N 2.86Å; D96-N98 VanDerWaalsContact C-N 3.33Å; D96-N98 PolarHBondContact O-N 2.85Å; D96-S99 WeakPolarHBondContact CA-OG 3.39Å; D96-S99 PolarHBondContact O-N 3.45Å; D96-S99 VanDerWaalsContact O-N 3.14Å; D96-S99 PolarHBondContact O-OG 3.01Å; D96-V100 WeakPolarHBondContact O-CG1 2.95Å; D96-V100 PolarHBondContact O-N 3.36Å
97	S	90.4	Very high	88.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-43.4	174.3	-62.8	0	0	0	0	112.8	A91 D94 V100 F136	A91-S97 WeakPolarHBondContact O-CB 3.31Å; D94-S97 PolarHBondContact O-N 3.43Å; D94-S97 WeakPolarHBondContact OD1-CB 3.49Å; D94-S97 PolarHBondContact OD1-N 3.23Å; D94-S97 PolarHBondContact OD1-OG 2.95Å; S97-V100 WeakPolarHBondContact O-CG2 3.36Å; S97-F136 WeakPolarHBondContact OG-CB 3.43Å
98	N	88.6	Confident	88.2	Confident	76 Å²	76	33.7 Å²	33.7	41%	0.406	19%	0.189	S	C	.	.	H	α-helix	trans	-67.6	-39.3	176.4	-72.8	-66.8	0	0	0	112.2	L59 N92 D94 A95 D96 V100 R101	L59-N98 WeakPolarHBondContact CD1-OD1 3.4Å; N92-N98 PolarHBondContact O-ND2 3.45Å; D94-N98 PolarHBondContact O-N 3.11Å; D94-N98 PolarHBondContact O-ND2 2.81Å; A95-N98 PolarHBondContact O-N 2.86Å; D96-N98 VanDerWaalsContact C-N 3.33Å; D96-N98 PolarHBondContact O-N 2.85Å; N98-V100 VanDerWaalsContact C-N 3.3Å; N98-V100 PolarHBondContact O-N 3.08Å; N98-R101 WeakPolarHBondContact O-CB 3.25Å; N98-R101 PolarHBondContact O-N 3.49Å
99	S	87.5	Confident	87.8	Confident	76 Å²	76	34.6 Å²	34.6	53%	0.531	19%	0.194	S	C	.	.	H	α-helix	trans	-66.5	-29.1	-176.7	75.2	0	0	0	0	113.8	A95 D96	A95-S99 WeakPolarHBondContact O-CB 3.39Å; A95-S99 PolarHBondContact O-N 3.39Å; D96-S99 WeakPolarHBondContact CA-OG 3.39Å; D96-S99 PolarHBondContact O-N 3.45Å; D96-S99 VanDerWaalsContact O-N 3.14Å; D96-S99 PolarHBondContact O-OG 3.01Å
100	V	89.4	Confident	87.6	Confident	12 Å²	12	34.6 Å²	34.6	7%	0.073	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.7	-176.1	-57.9	0	0	0	0	113.5	D96 S97 N98 S102 N103 F104 P137 Y155	D96-V100 WeakPolarHBondContact O-CG1 2.95Å; D96-V100 PolarHBondContact O-N 3.36Å; S97-V100 WeakPolarHBondContact O-CG2 3.36Å; N98-V100 VanDerWaalsContact C-N 3.3Å; N98-V100 PolarHBondContact O-N 3.08Å; V100-S102 PolarHBondContact O-N 2.96Å; V100-N103 WeakPolarHBondContact O-CB 3.49Å; V100-N103 PolarHBondContact O-N 3.03Å; V100-F104 HydrophobicContact CB-CD2 4.09Å; V100-F104 HydrophobicContact CB-CE2 4.15Å; V100-F104 HydrophobicContact CG2-CD2 3.87Å; V100-F104 HydrophobicContact CG2-CE2 3.85Å; V100-F104 WeakPolarHBondContact O-CD2 3.22Å; V100-F104 PolarHBondContact O-N 3.27Å; V100-F104 VanDerWaalsContact O-N 3.16Å; V100-P137 HydrophobicContact CG2-CB 4.47Å; V100-P137 HydrophobicContact CG2-CG 3.79Å; V100-Y155 VanDerWaalsContact CG1-CB 3.43Å; V100-Y155 HydrophobicContact CG1-CD2 4.22Å; V100-Y155 HydrophobicContact CG1-CG 4.1Å
101	R	89.4	Confident	87.4	Confident	84 Å²	84	34.6 Å²	34.6	32%	0.317	19%	0.194	S	C	.	.	H	α-helix	trans	-51.7	-53.3	-173.9	-179.8	-172.8	165	170.3	-9.6	112.3	L59 F60 N98 N103 F104 E105	L59-R101 HydrophobicContact CG-CG 4.46Å; L59-R101 WeakPolarHBondContact O-CD 3.29Å; L59-R101 PolarHBondContact O-NE 2.89Å; L59-R101 PolarHBondContact O-NH1 3.34Å; F60-R101 HydrophobicContact CD1-CG 3.73Å; F60-R101 HydrophobicContact CE1-CB 4.34Å; F60-R101 HydrophobicContact CE1-CG 3.67Å; F60-R101 WeakPolarHBondContact CE1-O 3.37Å; F60-R101 HydrophobicContact CG-CG 4.48Å; F60-R101 HydrophobicContact CZ-CG 4.34Å; N98-R101 WeakPolarHBondContact O-CB 3.25Å; N98-R101 PolarHBondContact O-N 3.49Å; R101-N103 PolarHBondContact O-N 2.85Å; R101-F104 PolarHBondContact O-N 2.89Å; R101-E105 IonicContact CZ-OE1 3.37Å; R101-E105 IonicContact NE-OE1 3.11Å; R101-E105 PolarHBondContact NE-OE1 3.19Å; R101-E105 IonicContact NH2-OE1 2.76Å; R101-E105 PolarHBondContact NH2-OE1 3.26Å; R101-E105 WeakPolarHBondContact O-CG 3.34Å; R101-E105 PolarHBondContact O-N 2.8Å
102	S	87.7	Confident	86.9	Confident	61 Å²	61	35.3 Å²	35.3	43%	0.427	20%	0.199	S	C	.	.	H	α-helix	trans	-60.8	-33.8	-179.1	53.9	0	0	0	0	112.8	V100 E105 A106	V100-S102 PolarHBondContact O-N 2.96Å; S102-E105 PolarHBondContact O-N 3.35Å; S102-A106 WeakPolarHBondContact O-CB 3.47Å; S102-A106 PolarHBondContact O-N 2.77Å
103	N	90.9	Very high	86.8	Confident	40 Å²	40	35.7 Å²	35.7	21%	0.214	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-40.6	-179.9	-62.2	-6.5	0	0	0	110.9	V100 R101 A106 V107 Y155 I157	V100-N103 WeakPolarHBondContact O-CB 3.49Å; V100-N103 PolarHBondContact O-N 3.03Å; R101-N103 PolarHBondContact O-N 2.85Å; N103-A106 PolarHBondContact O-N 3.02Å; N103-V107 WeakPolarHBondContact O-CB 3.5Å; N103-V107 WeakPolarHBondContact O-CG2 3.05Å; N103-V107 PolarHBondContact O-N 2.86Å; N103-Y155 WeakPolarHBondContact CB-O 3.47Å; N103-Y155 PolarHBondContact ND2-O 3.49Å; N103-I157 HydrophobicContact CB-CG1 3.97Å
104	F	92.1	Very high	87	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-39	174.7	-84	-82.1	0	0	0	112.4	F60 V66 L88 V100 R101 V107 Q108 I115 L139 Y155 L160	F60-F104 HydrophobicContact CE1-CB 3.86Å; F60-F104 HydrophobicContact CZ-CB 3.91Å; V66-F104 HydrophobicContact CG2-CB 4.4Å; L88-F104 HydrophobicContact CD1-CE1 4.13Å; L88-F104 HydrophobicContact CD1-CE2 3.8Å; L88-F104 HydrophobicContact CD1-CZ 3.55Å; L88-F104 HydrophobicContact CD2-CD1 4.11Å; L88-F104 HydrophobicContact CD2-CD2 3.83Å; L88-F104 HydrophobicContact CD2-CE1 4.19Å; L88-F104 HydrophobicContact CD2-CE2 3.92Å; L88-F104 HydrophobicContact CD2-CG 3.94Å; L88-F104 HydrophobicContact CD2-CZ 4.09Å; L88-F104 HydrophobicContact CG-CZ 4.36Å; V100-F104 HydrophobicContact CB-CD2 4.09Å; V100-F104 HydrophobicContact CB-CE2 4.15Å; V100-F104 HydrophobicContact CG2-CD2 3.87Å; V100-F104 HydrophobicContact CG2-CE2 3.85Å; V100-F104 WeakPolarHBondContact O-CD2 3.22Å; V100-F104 PolarHBondContact O-N 3.27Å; V100-F104 VanDerWaalsContact O-N 3.16Å; R101-F104 PolarHBondContact O-N 2.89Å; F104-V107 PolarHBondContact O-N 3.31Å; F104-Q108 VanDerWaalsContact O-CB 3.25Å; F104-Q108 WeakPolarHBondContact O-CB 3.45Å; F104-Q108 PolarHBondContact O-N 3.03Å; F104-I115 HydrophobicContact CD1-CD1 3.88Å; F104-I115 HydrophobicContact CD1-CG2 4.19Å; F104-I115 HydrophobicContact CE1-CD1 4.32Å; F104-L139 HydrophobicContact CE1-CD1 4.13Å; F104-L139 HydrophobicContact CE1-CD2 4.07Å; F104-L139 HydrophobicContact CZ-CB 4.49Å; F104-L139 HydrophobicContact CZ-CD2 4.18Å; F104-Y155 AromaticContact CE2-CD1 3.59Å; F104-Y155 HydrophobicContact CE2-CD1 3.59Å; F104-Y155 HydrophobicContact CE2-CE1 4.24Å; F104-Y155 HydrophobicContact CE2-CG 4.14Å; F104-Y155 AromaticContact CZ-CD1 3.49Å; F104-Y155 HydrophobicContact CZ-CD1 3.49Å; F104-Y155 VanDerWaalsContact CZ-CD1 3.49Å; F104-Y155 AromaticContact CZ-CE1 3.85Å; F104-Y155 HydrophobicContact CZ-CE1 3.85Å; F104-Y155 HydrophobicContact CZ-CG 4.46Å; F104-L160 HydrophobicContact CD1-CD1 4.32Å; F104-L160 HydrophobicContact CD2-CD1 4.41Å; F104-L160 HydrophobicContact CE1-CD1 4.11Å; F104-L160 HydrophobicContact CE1-CD2 4.35Å; F104-L160 HydrophobicContact CE2-CD1 4.19Å; F104-L160 HydrophobicContact CG-CD1 4.48Å; F104-L160 HydrophobicContact CZ-CD1 4.04Å; F104-L160 HydrophobicContact CZ-CD2 4.23Å
105	E	88.6	Confident	87.1	Confident	42 Å²	42	32.6 Å²	32.6	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-47	173.5	-68.7	177.9	160.4	0	0	110.9	F60 S64 R101 S102	F60-E105 HydrophobicContact CD1-CG 3.61Å; F60-E105 HydrophobicContact CE1-CG 3.9Å; S64-E105 WeakPolarHBondContact OG-CG 3.48Å; R101-E105 IonicContact CZ-OE1 3.37Å; R101-E105 IonicContact NE-OE1 3.11Å; R101-E105 PolarHBondContact NE-OE1 3.19Å; R101-E105 IonicContact NH2-OE1 2.76Å; R101-E105 PolarHBondContact NH2-OE1 3.26Å; R101-E105 WeakPolarHBondContact O-CG 3.34Å; R101-E105 PolarHBondContact O-N 2.8Å; S102-E105 PolarHBondContact O-N 3.35Å
106	A	87.5	Confident	87.3	Confident	12 Å²	12	29.7 Å²	29.7	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-47.6	177.5	0	0	0	0	0	112.5	S102 N103 Q108 N109 M110 I157 E414	S102-A106 WeakPolarHBondContact O-CB 3.47Å; S102-A106 PolarHBondContact O-N 2.77Å; N103-A106 PolarHBondContact O-N 3.02Å; A106-Q108 VanDerWaalsContact C-N 3.32Å; A106-Q108 PolarHBondContact O-N 3.36Å; A106-N109 WeakPolarHBondContact O-CB 3.31Å; A106-N109 PolarHBondContact O-N 2.93Å; A106-N109 VanDerWaalsContact O-N 3.11Å; A106-M110 HydrophobicContact CB-CE 4.22Å; A106-M110 WeakPolarHBondContact O-CE 3.28Å; A106-I157 HydrophobicContact CB-CD1 3.82Å; A106-I157 HydrophobicContact CB-CG1 4.28Å; A106-E414 HydrophobicContact CB-CG 4.17Å
107	V	90.5	Very high	87.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-42.2	-179.5	168	0	0	0	0	111.1	N103 F104 N109 M110 I111 I115 I157 L160 L161 F164	N103-V107 WeakPolarHBondContact O-CB 3.5Å; N103-V107 WeakPolarHBondContact O-CG2 3.05Å; N103-V107 PolarHBondContact O-N 2.86Å; F104-V107 PolarHBondContact O-N 3.31Å; V107-N109 PolarHBondContact O-N 2.97Å; V107-N109 VanDerWaalsContact O-N 3.14Å; V107-M110 PolarHBondContact O-N 2.94Å; V107-I111 HydrophobicContact CG1-CD1 4.14Å; V107-I111 HydrophobicContact CG1-CG1 4.45Å; V107-I111 HydrophobicContact CG1-CG2 3.75Å; V107-I111 WeakPolarHBondContact O-CG1 3.49Å; V107-I111 PolarHBondContact O-N 3.2Å; V107-I115 HydrophobicContact CG1-CD1 4.4Å; V107-I157 HydrophobicContact CG2-CB 4.33Å; V107-I157 HydrophobicContact CG2-CG1 4.42Å; V107-I157 HydrophobicContact CG2-CG2 4.09Å; V107-L160 HydrophobicContact CG1-CB 4.13Å; V107-L160 HydrophobicContact CG2-CB 3.77Å; V107-L160 HydrophobicContact CG2-CD1 3.98Å; V107-L161 HydrophobicContact CG1-CD2 4.43Å; V107-L161 HydrophobicContact CG2-CG 4.47Å; V107-F164 HydrophobicContact CG1-CD2 4.02Å; V107-F164 HydrophobicContact CG1-CE2 3.98Å
108	Q	88.2	Confident	87.3	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-23.4	178.4	-177.5	56.1	68.6	0	0	113.3	N65 V66 F104 A106 M110 Y113 I115	N65-Q108 VanDerWaalsContact C-CG 3.47Å; N65-Q108 HydrophobicContact CB-CG 3.81Å; N65-Q108 VanDerWaalsContact O-CG 3.27Å; N65-Q108 WeakPolarHBondContact O-CG 3.3Å; V66-Q108 HydrophobicContact CG2-CB 3.69Å; V66-Q108 HydrophobicContact CG2-CG 3.96Å; F104-Q108 VanDerWaalsContact O-CB 3.25Å; F104-Q108 WeakPolarHBondContact O-CB 3.45Å; F104-Q108 PolarHBondContact O-N 3.03Å; A106-Q108 VanDerWaalsContact C-N 3.32Å; A106-Q108 PolarHBondContact O-N 3.36Å; Q108-M110 VanDerWaalsContact C-N 3.34Å; Q108-Y113 PolarHBondContact NE2-O 3.4Å; Q108-I115 VanDerWaalsContact OE1-CB 3.22Å
109	N	84.8	Confident	87.2	Confident	19 Å²	19	22 Å²	22	10%	0.102	12%	0.121	C	C	.	.	H	α-helix	trans	-78.5	-19.4	176.2	-66.2	-15.1	0	0	0	113.4	N65 A106 V107 E414 A445	N65-N109 PolarHBondContact ND2-OD1 3.36Å; A106-N109 WeakPolarHBondContact O-CB 3.31Å; A106-N109 PolarHBondContact O-N 2.93Å; A106-N109 VanDerWaalsContact O-N 3.11Å; V107-N109 PolarHBondContact O-N 2.97Å; V107-N109 VanDerWaalsContact O-N 3.14Å; N109-E414 PolarHBondContact ND2-OE1 3.17Å; N109-A445 PolarHBondContact O-N 3.09Å
110	M	85.9	Confident	87.1	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-106.6	-31.1	-173.3	-57.9	178.9	-149.5	0	0	113.4	A106 V107 Q108 I157 L161 C413 E414 C508 H512	A106-M110 HydrophobicContact CB-CE 4.22Å; A106-M110 WeakPolarHBondContact O-CE 3.28Å; V107-M110 PolarHBondContact O-N 2.94Å; Q108-M110 VanDerWaalsContact C-N 3.34Å; M110-I157 HydrophobicContact CE-CG2 4.47Å; M110-L161 HydrophobicContact CB-CD2 3.99Å; M110-L161 HydrophobicContact SD-CD1 3.89Å; M110-L161 HydrophobicContact SD-CD2 4.2Å; M110-C413 VanDerWaalsContact CE-C 3.49Å; M110-C413 WeakPolarHBondContact CE-O 3.09Å; M110-C413 HydrophobicContact SD-CB 4.19Å; M110-E414 HydrophobicContact CE-CB 3.67Å; M110-E414 HydrophobicContact CE-CG 3.74Å; M110-C508 HydrophobicContact CB-CB 4.13Å; M110-C508 HydrophobicContact CG-CB 4.18Å; M110-C508 HydrophobicContact SD-CB 3.98Å; M110-H512 WeakPolarHBondContact CE-NE2 3.36Å; M110-H512 VanDerWaalsContact SD-CD2 3.57Å
111	I	85.7	Confident	86.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.			trans	-84.8	151.6	-175.5	67.1	172.6	0	0	0	112.3	V107 Y113 I115 L161 F164 F505	V107-I111 HydrophobicContact CG1-CD1 4.14Å; V107-I111 HydrophobicContact CG1-CG1 4.45Å; V107-I111 HydrophobicContact CG1-CG2 3.75Å; V107-I111 WeakPolarHBondContact O-CG1 3.49Å; V107-I111 PolarHBondContact O-N 3.2Å; I111-Y113 VanDerWaalsContact C-N 3.26Å; I111-Y113 HydrophobicContact CB-CD2 4.49Å; I111-Y113 PolarHBondContact O-N 3.32Å; I111-I115 HydrophobicContact CD1-CD1 3.73Å; I111-I115 HydrophobicContact CD1-CG1 3.93Å; I111-L161 HydrophobicContact CG2-CD2 3.85Å; I111-F164 HydrophobicContact CD1-CD1 4.24Å; I111-F164 HydrophobicContact CD1-CD2 3.81Å; I111-F164 HydrophobicContact CD1-CE1 4.11Å; I111-F164 HydrophobicContact CD1-CE2 3.7Å; I111-F164 HydrophobicContact CD1-CG 4.1Å; I111-F164 HydrophobicContact CD1-CZ 3.85Å; I111-F164 HydrophobicContact CG2-CB 3.93Å; I111-F164 HydrophobicContact CG2-CD2 3.83Å; I111-F164 HydrophobicContact CG2-CG 4.04Å; I111-F505 HydrophobicContact CG2-CE2 3.91Å; I111-F505 HydrophobicContact CG2-CZ 4.46Å
112	P	77	Confident	85.9	Confident	14 Å²	14	15.5 Å²	15.5	9%	0.091	9%	0.086	C	C	.	.	S	Bend	trans	-72.7	-19.6	174.7	30.9	-38	0	0	0	113.1	K440 E501	P112-K440 PolarHBondContact O-NZ 3.17Å; P112-E501 WeakPolarHBondContact CA-OE1 3.39Å; P112-E501 HydrophobicContact CB-CG 3.79Å; P112-E501 VanDerWaalsContact CB-OE1 3.27Å; P112-E501 WeakPolarHBondContact CB-OE1 3.12Å; P112-E501 WeakPolarHBondContact CB-OE2 3.07Å
113	Y	81.6	Confident	85.2	Confident	36 Å²	36	14.5 Å²	14.5	14%	0.141	8%	0.079	C	C	.	.	S	Bend	trans	-89.6	163.6	-172.4	-45.3	-62.7	0	0	0	113.5	V84 Q108 I111 F164 G168	V84-Y113 HydrophobicContact CB-CD1 3.58Å; V84-Y113 HydrophobicContact CB-CE1 3.71Å; V84-Y113 HydrophobicContact CB-CG 4.25Å; V84-Y113 HydrophobicContact CG1-CD1 3.82Å; V84-Y113 HydrophobicContact CG1-CD2 4.39Å; V84-Y113 HydrophobicContact CG1-CE1 4.02Å; V84-Y113 HydrophobicContact CG1-CG 4Å; V84-Y113 HydrophobicContact CG2-CE1 4.21Å; Q108-Y113 PolarHBondContact NE2-O 3.4Å; I111-Y113 VanDerWaalsContact C-N 3.26Å; I111-Y113 HydrophobicContact CB-CD2 4.49Å; I111-Y113 PolarHBondContact O-N 3.32Å; Y113-F164 HydrophobicContact CD2-CB 4.12Å; Y113-F164 AromaticContact CD2-CD1 3.48Å; Y113-F164 HydrophobicContact CD2-CD1 3.48Å; Y113-F164 VanDerWaalsContact CD2-CD1 3.48Å; Y113-F164 HydrophobicContact CD2-CE1 4.22Å; Y113-F164 HydrophobicContact CD2-CG 4.09Å; Y113-F164 HydrophobicContact CE2-CB 4.1Å; Y113-F164 HydrophobicContact CE2-CD1 4.05Å; Y113-F164 HydrophobicContact CG-CD1 4.42Å; Y113-G168 VanDerWaalsContact OH-CA 3.28Å; Y113-G168 WeakPolarHBondContact OH-CA 3.37Å
114	N	83.9	Confident	84.3	Confident	40 Å²	40	15.3 Å²	15.3	21%	0.214	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.8	174.6	-66.5	-29.6	0	0	0	110.9	Y67 S85 G86 F116 K440	Y67-N114 HydrophobicContact CE2-CB 4.31Å; S85-N114 CarbonylContact C-O 3.06Å; S85-N114 WeakPolarHBondContact CA-O 3.32Å; G86-N114 PolarHBondContact N-O 3.43Å; N114-F116 HydrophobicContact CB-CE2 3.91Å; N114-F116 HydrophobicContact CB-CZ 4.04Å; N114-K440 WeakPolarHBondContact OD1-CE 3.27Å
115	I	88.6	Confident	83.4	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.4	172.2	-57.3	175.8	0	0	0	109	V66 Y67 G86 L88 F104 V107 Q108 I111 F164	V66-I115 HydrophobicContact CG1-CG2 4.23Å; Y67-I115 PolarHBondContact N-O 3.25Å; Y67-I115 VanDerWaalsContact N-O 3.08Å; G86-I115 CarbonylContact O-C 3.54Å; G86-I115 VanDerWaalsContact O-CA 3.28Å; G86-I115 WeakPolarHBondContact O-CA 3.44Å; L88-I115 HydrophobicContact CB-CG2 4.32Å; F104-I115 HydrophobicContact CD1-CD1 3.88Å; F104-I115 HydrophobicContact CD1-CG2 4.19Å; F104-I115 HydrophobicContact CE1-CD1 4.32Å; V107-I115 HydrophobicContact CG1-CD1 4.4Å; Q108-I115 VanDerWaalsContact OE1-CB 3.22Å; I111-I115 HydrophobicContact CD1-CD1 3.73Å; I111-I115 HydrophobicContact CD1-CG1 3.93Å; I115-F164 HydrophobicContact CD1-CE2 4.02Å; I115-F164 HydrophobicContact CD1-CZ 3.97Å; I115-F164 HydrophobicContact CG1-CZ 4.21Å
116	F	88.1	Confident	82.8	Confident	13 Å²	13	17.8 Å²	17.8	6%	0.057	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.2	173.7	-58.2	-82.2	0	0	0	109.1	Y67 L69 G86 V87 L88 N114	Y67-F116 HydrophobicContact CD2-CD1 4.32Å; Y67-F116 HydrophobicContact CD2-CE1 4.13Å; Y67-F116 HydrophobicContact CG-CD1 4.11Å; Y67-F116 HydrophobicContact CG-CE1 4.06Å; Y67-F116 CarbonylContact O-C 3.59Å; Y67-F116 WeakPolarHBondContact O-CA 3.5Å; L69-F116 HydrophobicContact CD1-CB 4.36Å; L69-F116 HydrophobicContact CD1-CD1 4.36Å; G86-F116 PolarHBondContact O-N 3.25Å; V87-F116 CarbonylContact C-O 3.57Å; V87-F116 VanDerWaalsContact CA-O 3.25Å; V87-F116 WeakPolarHBondContact CA-O 3.25Å; V87-F116 HydrophobicContact CG2-CB 4.44Å; L88-F116 PolarHBondContact N-O 2.92Å; N114-F116 HydrophobicContact CB-CE2 3.91Å; N114-F116 HydrophobicContact CB-CZ 4.04Å
117	A	90.5	Very high	82.5	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.2	173	0	0	0	0	0	109.7	F60 V66 Y67 L69 L88 Y90	F60-A117 HydrophobicContact CD2-CB 3.52Å; F60-A117 HydrophobicContact CE2-CB 3.37Å; F60-A117 HydrophobicContact CZ-CB 4.48Å; V66-A117 HydrophobicContact CG1-CB 3.94Å; Y67-A117 PolarHBondContact O-N 3.38Å; L69-A117 WeakPolarHBondContact CB-O 3.47Å; L69-A117 PolarHBondContact N-O 3.31Å; L88-A117 HydrophobicContact CB-CB 4.45Å; L88-A117 CarbonylContact O-C 3.59Å; L88-A117 WeakPolarHBondContact O-CA 3.33Å; Y90-A117 HydrophobicContact CD1-CB 3.93Å; Y90-A117 HydrophobicContact CE1-CB 3.73Å
118	V	87.6	Confident	81.7	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.7	-177.6	-176.3	0	0	0	0	109.2	L69 Y74 V87 L88 L89 Y90 C120 C127	L69-V118 HydrophobicContact CB-CG2 4.28Å; L69-V118 HydrophobicContact CD1-CG2 4.37Å; Y74-V118 HydrophobicContact CD2-CG2 3.58Å; Y74-V118 HydrophobicContact CE2-CG2 4.34Å; Y74-V118 HydrophobicContact CG-CG1 4.4Å; Y74-V118 HydrophobicContact CG-CG2 3.96Å; V87-V118 HydrophobicContact CG1-CG2 4.04Å; L88-V118 PolarHBondContact O-N 2.88Å; L89-V118 WeakPolarHBondContact CA-O 3.33Å; L89-V118 HydrophobicContact CD2-CB 3.97Å; L89-V118 HydrophobicContact CD2-CG2 4.4Å; Y90-V118 VanDerWaalsContact CD1-O 3.3Å; Y90-V118 WeakPolarHBondContact CD1-O 3.46Å; Y90-V118 VanDerWaalsContact CE1-C 3.47Å; Y90-V118 PolarHBondContact N-O 3.35Å; V118-C120 PolarHBondContact O-N 3.35Å; V118-C120 PolarHBondContact O-SG 2.99Å; V118-C127 HydrophobicContact CG1-CB 3.79Å
119	N	86	Confident	81.2	Confident	10 Å²	10	23.5 Å²	23.5	5%	0.053	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.1	175.2	-167.7	-16.5	0	0	0	110.5	Y90 N92 G121	Y90-N119 HydrophobicContact CE1-CB 4.27Å; Y90-N119 HydrophobicContact CE2-CB 3.75Å; N92-N119 PolarHBondContact ND2-ND2 2.89Å; N119-G121 PolarHBondContact OD1-N 3.3Å; N119-G121 VanDerWaalsContact OD1-N 3.09Å
120	C	84.6	Confident	80.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.			trans	-118.4	10.3	177.9	-45	0	0	0	0	112.1	Y90 V118 L122 C127 F136	Y90-C120 PolarHBondContact O-N 3.32Å; V118-C120 PolarHBondContact O-N 3.35Å; V118-C120 PolarHBondContact O-SG 2.99Å; C120-L122 VanDerWaalsContact C-N 3.28Å; C120-L122 PolarHBondContact O-N 3.08Å; C120-C127 HydrophobicContact CB-CB 3.77Å; C120-C127 WeakPolarHBondContact CB-SG 3.41Å; C120-C127 WeakPolarHBondContact SG-CB 3.49Å; C120-C127 CovalentContact SG-SG 2.02Å; C120-C127 PolarHBondContact SG-SG 2.99Å; C120-F136 HydrophobicContact CB-CE1 3.86Å; C120-F136 HydrophobicContact CB-CZ 4.01Å
121	G	78.9	Confident	80.4	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.01	16%	0.16	C	C	.	.			trans	-69.9	-23.4	-177.6	0	0	0	0	0	114.1	Y90 N119	Y90-G121 PolarHBondContact O-N 3.46Å; N119-G121 PolarHBondContact OD1-N 3.3Å; N119-G121 VanDerWaalsContact OD1-N 3.09Å
122	L	75.7	Confident	79.9	Confident	34 Å²	34	40 Å²	40	18%	0.178	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-90.1	126.2	177.6	-71.5	173.7	0	0	0	110.7	F56 C120 S124 S125	F56-L122 HydrophobicContact CD2-CD1 4.37Å; F56-L122 HydrophobicContact CD2-CD2 3.76Å; F56-L122 HydrophobicContact CD2-CG 4.12Å; F56-L122 HydrophobicContact CE2-CD2 3.94Å; C120-L122 VanDerWaalsContact C-N 3.28Å; C120-L122 PolarHBondContact O-N 3.08Å; L122-S124 PolarHBondContact O-N 3.31Å; L122-S125 WeakPolarHBondContact O-CB 3.29Å; L122-S125 PolarHBondContact O-N 3.46Å; L122-S125 PolarHBondContact O-OG 3.46Å
123	S	71.8	Confident	80	Confident	40 Å²	40	39.8 Å²	39.8	28%	0.28	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.7	174.8	53.6	0	0	0	0	113.4	Q129	S123-Q129 WeakPolarHBondContact O-CG 3.47Å
124	S	72.8	Confident	79.7	Confident	58 Å²	58	47.1 Å²	47.1	41%	0.406	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.6	176.4	44.8	0	0	0	0	113.3	D52 L122 Q129	D52-S124 PolarHBondContact OD1-OG 2.98Å; L122-S124 PolarHBondContact O-N 3.31Å; S124-Q129 PolarHBondContact O-NE2 3.23Å
125	S	73.9	Confident	79.5	Confident	28 Å²	28	48.1 Å²	48.1	20%	0.196	23%	0.23	C	C	.	.	S	Bend	trans	-66.7	149.2	177.7	70.5	0	0	0	0	112.3	L122 C127 G128 Q129	L122-S125 WeakPolarHBondContact O-CB 3.29Å; L122-S125 PolarHBondContact O-N 3.46Å; L122-S125 PolarHBondContact O-OG 3.46Å; S125-C127 VanDerWaalsContact C-N 3.27Å; S125-C127 PolarHBondContact O-N 3.3Å; S125-G128 PolarHBondContact O-N 3.38Å; S125-G128 VanDerWaalsContact O-N 3.13Å; S125-G128 PolarHBondContact OG-N 3.12Å; S125-Q129 WeakPolarHBondContact O-CG 3.45Å; S125-Q129 PolarHBondContact O-N 2.88Å
126	L	75.5	Confident	79.4	Confident	66 Å²	66	48.5 Å²	48.5	35%	0.346	23%	0.232	S	C	.	.	H	α-helix	trans	-58.4	-41.9	175.8	-173.3	72.8	0	0	0	111.1	G128 Q129 T130	L126-G128 VanDerWaalsContact C-N 3.35Å; L126-G128 PolarHBondContact O-N 3.38Å; L126-Q129 PolarHBondContact O-N 3.12Å; L126-T130 HydrophobicContact CD1-CG2 4.17Å; L126-T130 HydrophobicContact CG-CG2 4.07Å; L126-T130 WeakPolarHBondContact O-CB 3.07Å; L126-T130 VanDerWaalsContact O-CG2 3.28Å; L126-T130 WeakPolarHBondContact O-CG2 3.36Å; L126-T130 PolarHBondContact O-N 3.32Å; L126-T130 PolarHBondContact O-OG1 3.43Å
127	C	80.5	Confident	79.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-45.5	176.4	-176.4	0	0	0	0	111.5	V118 C120 S125 Q129 T130 H131	V118-C127 HydrophobicContact CG1-CB 3.79Å; C120-C127 HydrophobicContact CB-CB 3.77Å; C120-C127 WeakPolarHBondContact CB-SG 3.41Å; C120-C127 WeakPolarHBondContact SG-CB 3.49Å; C120-C127 CovalentContact SG-SG 2.02Å; C120-C127 PolarHBondContact SG-SG 2.99Å; S125-C127 VanDerWaalsContact C-N 3.27Å; S125-C127 PolarHBondContact O-N 3.3Å; C127-Q129 VanDerWaalsContact C-N 3.3Å; C127-Q129 PolarHBondContact O-N 3.02Å; C127-T130 WeakPolarHBondContact CA-OG1 3.24Å; C127-T130 PolarHBondContact O-N 2.91Å; C127-T130 PolarHBondContact O-OG1 3.47Å; C127-T130 VanDerWaalsContact O-OG1 3.06Å; C127-H131 WeakPolarHBondContact O-CB 3.48Å; C127-H131 PolarHBondContact O-N 3.33Å
128	G	74.9	Confident	79.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-41.3	176	0	0	0	0	0	112.4	R48 S125 L126	R48-G128 PolarHBondContact NH1-O 3.41Å; R48-G128 PolarHBondContact NH2-O 3.36Å; S125-G128 PolarHBondContact O-N 3.38Å; S125-G128 VanDerWaalsContact O-N 3.13Å; S125-G128 PolarHBondContact OG-N 3.12Å; L126-G128 VanDerWaalsContact C-N 3.35Å; L126-G128 PolarHBondContact O-N 3.38Å
129	Q	76.1	Confident	79.6	Confident	130 Å²	130	49.6 Å²	49.6	61%	0.607	24%	0.239	S	C	*	.	H	α-helix	trans	-71	-38.2	179.2	-65.5	179.5	29	0	0	112.9	S123 S124 S125 L126 C127	S123-Q129 WeakPolarHBondContact O-CG 3.47Å; S124-Q129 PolarHBondContact O-NE2 3.23Å; S125-Q129 WeakPolarHBondContact O-CG 3.45Å; S125-Q129 PolarHBondContact O-N 2.88Å; L126-Q129 PolarHBondContact O-N 3.12Å; C127-Q129 VanDerWaalsContact C-N 3.3Å; C127-Q129 PolarHBondContact O-N 3.02Å
130	T	77	Confident	79.7	Confident	79 Å²	79	49.8 Å²	49.8	49%	0.485	24%	0.24	S	C	.	.	H	α-helix	trans	-79.5	-48.5	-177.4	50.8	0	0	0	0	112.7	L126 C127	L126-T130 HydrophobicContact CD1-CG2 4.17Å; L126-T130 HydrophobicContact CG-CG2 4.07Å; L126-T130 WeakPolarHBondContact O-CB 3.07Å; L126-T130 VanDerWaalsContact O-CG2 3.28Å; L126-T130 WeakPolarHBondContact O-CG2 3.36Å; L126-T130 PolarHBondContact O-N 3.32Å; L126-T130 PolarHBondContact O-OG1 3.43Å; C127-T130 WeakPolarHBondContact CA-OG1 3.24Å; C127-T130 PolarHBondContact O-N 2.91Å; C127-T130 PolarHBondContact O-OG1 3.47Å; C127-T130 VanDerWaalsContact O-OG1 3.06Å
131	H	77.1	Confident	79.9	Confident	60 Å²	60	49.8 Å²	49.8	28%	0.278	24%	0.24	S	C	.	.			trans	-104	115.4	-172.5	-66.4	79.4	0	0	0	111	R48 L89 C127 V133	R48-H131 PolarHBondContact NH2-O 3.15Å; L89-H131 HydrophobicContact CD1-CB 4.24Å; C127-H131 WeakPolarHBondContact O-CB 3.48Å; C127-H131 PolarHBondContact O-N 3.33Å; H131-V133 HydrophobicContact CB-CG2 4.02Å; H131-V133 PolarHBondContact O-N 3.04Å
132	R	76.3	Confident	80.2	Confident	227 Å²	227	50.8 Å²	50.8	86%	0.857	24%	0.244	S	C	*	.			trans	-77.6	67.4	171.5	-69.5	-173.1	-176.5	178.7	2.4	112.1	R134	R132-R134 PolarHBondContact O-N 3.42Å
133	V	77.9	Confident	80.4	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.067	24%	0.244	C	C	.	.			trans	-65.8	117.8	175.6	-172	0	0	0	0	109.8	L89 H131 H135 F136 L138	L89-V133 HydrophobicContact CB-CG2 4.29Å; L89-V133 HydrophobicContact CD1-CG2 3.7Å; H131-V133 HydrophobicContact CB-CG2 4.02Å; H131-V133 PolarHBondContact O-N 3.04Å; V133-H135 WeakPolarHBondContact CG1-O 3.48Å; V133-F136 HydrophobicContact CB-CD1 4.39Å; V133-F136 HydrophobicContact CB-CE1 3.67Å; V133-F136 HydrophobicContact CB-CZ 3.74Å; V133-F136 HydrophobicContact CG1-CD1 3.62Å; V133-F136 HydrophobicContact CG1-CE1 3.4Å; V133-F136 VanDerWaalsContact CG1-CE1 3.4Å; V133-F136 HydrophobicContact CG1-CE2 4.39Å; V133-F136 HydrophobicContact CG1-CG 4.22Å; V133-F136 HydrophobicContact CG1-CZ 3.81Å; V133-F136 HydrophobicContact CG2-CE1 3.96Å; V133-F136 HydrophobicContact CG2-CZ 4.3Å; V133-L138 HydrophobicContact CG1-CB 4.18Å; V133-L138 HydrophobicContact CG1-CD2 4.39Å
134	R	76.8	Confident	80.4	Confident	190 Å²	190	49.8 Å²	49.8	72%	0.717	24%	0.239	S	C	*	.	S	Bend	trans	-85.5	-27.1	-179.9	-64.8	-176.4	-178	176.3	0.9	113.1	Q45 S46 R132	Q45-R134 WeakPolarHBondContact CA-O 3.28Å; S46-R134 PolarHBondContact N-O 2.77Å; S46-R134 PolarHBondContact OG-O 2.97Å; R132-R134 PolarHBondContact O-N 3.42Å
135	H	79	Confident	80.3	Confident	60 Å²	60	51.2 Å²	51.2	28%	0.278	25%	0.247	S	C	.	.	S	Bend	trans	-147.1	137.1	-178.1	-56.3	90.1	0	0	0	108.5	S44 S46 V133 R303	S44-H135 PolarHBondContact O-CD2 3.18Å; S44-H135 VanDerWaalsContact O-CD2 3.23Å; S46-H135 WeakPolarHBondContact OG-CA 3.26Å; V133-H135 WeakPolarHBondContact CG1-O 3.48Å; H135-R303 PolarHBondContact ND1-NH2 3.38Å
136	F	86	Confident	80.1	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.035	27%	0.267	C	S	.	.	S	Bend	trans	-103.4	155.1	170.9	-65.5	-70.7	0	0	0	109.9	S46 L89 Y90 A91 D94 S97 C120 V133	S46-F136 VanDerWaalsContact CB-CD2 3.43Å; S46-F136 WeakPolarHBondContact OG-CD2 3.25Å; L89-F136 WeakPolarHBondContact O-CD1 3.49Å; Y90-F136 VanDerWaalsContact C-CD1 3.48Å; A91-F136 HydrophobicContact CB-CB 4.42Å; A91-F136 HydrophobicContact CB-CD1 4.31Å; A91-F136 HydrophobicContact CB-CD2 3.47Å; A91-F136 VanDerWaalsContact CB-CD2 3.47Å; A91-F136 HydrophobicContact CB-CE1 4.48Å; A91-F136 HydrophobicContact CB-CE2 3.71Å; A91-F136 HydrophobicContact CB-CG 3.83Å; A91-F136 HydrophobicContact CB-CZ 4.21Å; D94-F136 HydrophobicContact CB-CB 4.08Å; D94-F136 WeakPolarHBondContact OD1-CB 3.38Å; S97-F136 WeakPolarHBondContact OG-CB 3.43Å; C120-F136 HydrophobicContact CB-CE1 3.86Å; C120-F136 HydrophobicContact CB-CZ 4.01Å; V133-F136 HydrophobicContact CB-CD1 4.39Å; V133-F136 HydrophobicContact CB-CE1 3.67Å; V133-F136 HydrophobicContact CB-CZ 3.74Å; V133-F136 HydrophobicContact CG1-CD1 3.62Å; V133-F136 HydrophobicContact CG1-CE1 3.4Å; V133-F136 VanDerWaalsContact CG1-CE1 3.4Å; V133-F136 HydrophobicContact CG1-CE2 4.39Å; V133-F136 HydrophobicContact CG1-CG 4.22Å; V133-F136 HydrophobicContact CG1-CZ 3.81Å; V133-F136 HydrophobicContact CG2-CE1 3.96Å; V133-F136 HydrophobicContact CG2-CZ 4.3Å
137	P	91.2	Very high	80.1	Confident	12 Å²	12	52.7 Å²	52.7	8%	0.078	26%	0.257	C	S	.	.			cis	-76	157.4	-14.7	31.6	-30.3	0	0	0	111.5	L88 L89 V100 Y155	L88-P137 HydrophobicContact CD1-CB 3.82Å; L89-P137 WeakPolarHBondContact O-CA 3.49Å; V100-P137 HydrophobicContact CG2-CB 4.47Å; V100-P137 HydrophobicContact CG2-CG 3.79Å; P137-Y155 HydrophobicContact CG-CD2 3.98Å; P137-Y155 HydrophobicContact CG-CE2 3.74Å; P137-Y155 PolarHBondContact O-OH 2.97Å
138	L	88.9	Confident	80	Confident	25 Å²	25	56 Å²	56	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.3	175.9	-176.1	68.6	0	0	0	110.9	L89 V133 Q150 Y155	L89-L138 HydrophobicContact CB-CB 4.27Å; L89-L138 HydrophobicContact CD1-CD2 4.27Å; L89-L138 PolarHBondContact N-O 3.27Å; L89-L138 PolarHBondContact O-N 3.47Å; V133-L138 HydrophobicContact CG1-CB 4.18Å; V133-L138 HydrophobicContact CG1-CD2 4.39Å; L138-Q150 HydrophobicContact CD1-CG 3.63Å; L138-Q150 HydrophobicContact CD2-CG 4.45Å; L138-Q150 HydrophobicContact CG-CG 4.31Å; L138-Y155 WeakPolarHBondContact CA-OH 3.41Å
139	L	91	Very high	80.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.2	175	177.3	66.2	0	0	0	111	L88 F104 V141 Y151 Y155 L160 L163	L88-L139 HydrophobicContact CB-CD1 4.43Å; L88-L139 HydrophobicContact CD1-CB 4.34Å; F104-L139 HydrophobicContact CE1-CD1 4.13Å; F104-L139 HydrophobicContact CE1-CD2 4.07Å; F104-L139 HydrophobicContact CZ-CB 4.49Å; F104-L139 HydrophobicContact CZ-CD2 4.18Å; L139-V141 HydrophobicContact CD2-CG2 4.34Å; L139-V141 HydrophobicContact CG-CG2 4.14Å; L139-Y151 HydrophobicContact CB-CD1 4.48Å; L139-Y151 HydrophobicContact CD2-CD1 4.2Å; L139-Y151 HydrophobicContact CD2-CG 4.32Å; L139-Y151 WeakPolarHBondContact O-CB 3.33Å; L139-Y151 PolarHBondContact O-N 3.02Å; L139-Y155 HydrophobicContact CB-CE1 3.74Å; L139-Y155 HydrophobicContact CD2-CE1 4.48Å; L139-Y155 PolarHBondContact N-OH 2.8Å; L139-Y155 VanDerWaalsContact N-OH 3.15Å; L139-L160 HydrophobicContact CD2-CD2 3.83Å; L139-L163 HydrophobicContact CD2-CD2 3.73Å
140	N	88.2	Confident	80.6	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.7	169.7	-70.8	-28	0	0	0	109.1	G86 V87 T148 I149	G86-N140 CarbonylContact C-O 3.57Å; V87-N140 HydrophobicContact CB-CB 4.47Å; V87-N140 PolarHBondContact N-O 3.43Å; V87-N140 PolarHBondContact O-N 3.08Å; N140-T148 HydrophobicContact CB-CG2 3.78Å; N140-I149 CarbonylContact C-O 3.48Å; N140-I149 WeakPolarHBondContact CA-O 3.23Å
141	V	88.2	Confident	81	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.9	176	-173.8	0	0	0	0	109.2	V84 S85 L139 T143 T148 I149 L163 F164 I167	V84-V141 HydrophobicContact CG1-CG1 4.04Å; S85-V141 CarbonylContact O-C 3.4Å; S85-V141 WeakPolarHBondContact O-CA 3.33Å; L139-V141 HydrophobicContact CD2-CG2 4.34Å; L139-V141 HydrophobicContact CG-CG2 4.14Å; V141-T143 HydrophobicContact CG1-CG2 4.22Å; V141-T148 CarbonylContact O-C 3.59Å; V141-T148 WeakPolarHBondContact O-CA 3.01Å; V141-I149 HydrophobicContact CB-CB 4.35Å; V141-I149 PolarHBondContact N-O 3.02Å; V141-I149 PolarHBondContact O-N 3.46Å; V141-L163 HydrophobicContact CG2-CD2 4.41Å; V141-F164 HydrophobicContact CG2-CE1 4.46Å; V141-I167 HydrophobicContact CB-CD1 4.36Å; V141-I167 HydrophobicContact CG1-CD1 3.71Å; V141-I167 HydrophobicContact CG2-CD1 4.37Å
142	H	85.3	Confident	81	Confident	22 Å²	22	51.4 Å²	51.4	10%	0.102	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.2	174.4	-61.5	-82.2	0	0	0	108.5	Y74 T79 V84 S85 V87 T148	Y74-H142 PolarHBondContact OH-NE2 2.74Å; T79-H142 HydrophobicContact CG2-CB 4.49Å; V84-H142 CarbonylContact C-O 3.57Å; V84-H142 VanDerWaalsContact CA-O 3.26Å; V84-H142 WeakPolarHBondContact CA-O 3.41Å; S85-H142 PolarHBondContact N-O 2.85Å; S85-H142 PolarHBondContact O-N 2.88Å; V87-H142 VanDerWaalsContact CG2-CD2 3.49Å; V87-H142 WeakPolarHBondContact CG2-CD2 3.43Å; H142-T148 PolarHBondContact CE1-OG1 3.28Å; H142-T148 PolarHBondContact ND1-OG1 3.12Å
143	T	79.1	Confident	81.2	Confident	28 Å²	28	40.6 Å²	40.6	17%	0.172	22%	0.216	C	C	.	.	S	Bend	trans	-103.7	-16.1	178.6	52.5	0	0	0	0	113.1	V84 V141 T147 I149 I167 V214	V84-T143 HydrophobicContact CG1-CG2 4.41Å; V84-T143 HydrophobicContact CG2-CG2 4.49Å; V141-T143 HydrophobicContact CG1-CG2 4.22Å; T143-T147 PolarHBondContact N-O 3.38Å; T143-T147 PolarHBondContact OG1-OG1 3.12Å; T143-I149 HydrophobicContact CG2-CD1 3.91Å; T143-I167 HydrophobicContact CG2-CG2 3.96Å; T143-V214 HydrophobicContact CG2-CG1 3.88Å
144	S	73.7	Confident	81.6	Confident	24 Å²	24	40.7 Å²	40.7	17%	0.168	22%	0.217	C	C	.	.	S	Bend	trans	-153.2	174.3	172.9	89.8	0	0	0	0	108.2	T146 T147	S144-T146 PolarHBondContact O-N 3.3Å; S144-T146 VanDerWaalsContact O-N 3.16Å; S144-T146 PolarHBondContact OG-N 2.91Å; S144-T146 PolarHBondContact OG-OG1 3.06Å; S144-T147 VanDerWaalsContact CB-OG1 3.28Å; S144-T147 WeakPolarHBondContact CB-OG1 3.13Å; S144-T147 PolarHBondContact N-OG1 2.91Å; S144-T147 VanDerWaalsContact N-OG1 3.13Å; S144-T147 WeakPolarHBondContact OG-CG2 3.29Å; S144-T147 PolarHBondContact OG-N 3.16Å; S144-T147 PolarHBondContact OG-OG1 3.18Å
145	P	69.4	Low	82.2	Confident	89 Å²	89	33.3 Å²	33.3	58%	0.578	19%	0.189	S	C	*	.	S	Bend	trans	-56	-30.4	175.1	-25.1	34.7	0	0	0	113.9	S81	S81-P145 WeakPolarHBondContact O-CD 3.22Å; S81-P145 WeakPolarHBondContact O-CG 3.46Å
146	T	70.2	Confident	82.7	Confident	101 Å²	101	32 Å²	32	62%	0.62	19%	0.185	S	C	*	.	S	Bend	trans	-107.4	-23	-173.4	58.4	0	0	0	0	112.7	S144	S144-T146 PolarHBondContact O-N 3.3Å; S144-T146 VanDerWaalsContact O-N 3.16Å; S144-T146 PolarHBondContact OG-N 2.91Å; S144-T146 PolarHBondContact OG-OG1 3.06Å
147	T	74.3	Confident	83	Confident	23 Å²	23	33.3 Å²	33.3	14%	0.141	19%	0.192	C	C	.	.			trans	-101.1	116.8	-173.8	63.7	0	0	0	0	111.7	T143 S144 T215	T143-T147 PolarHBondContact N-O 3.38Å; T143-T147 PolarHBondContact OG1-OG1 3.12Å; S144-T147 VanDerWaalsContact CB-OG1 3.28Å; S144-T147 WeakPolarHBondContact CB-OG1 3.13Å; S144-T147 PolarHBondContact N-OG1 2.91Å; S144-T147 VanDerWaalsContact N-OG1 3.13Å; S144-T147 WeakPolarHBondContact OG-CG2 3.29Å; S144-T147 PolarHBondContact OG-N 3.16Å; S144-T147 PolarHBondContact OG-OG1 3.18Å; T147-T215 HydrophobicContact CG2-CG2 4.4Å
148	T	78.3	Confident	83	Confident	71 Å²	71	33.3 Å²	33.3	44%	0.436	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.2	174.3	-53.1	0	0	0	0	110.1	N140 V141 H142	N140-T148 HydrophobicContact CB-CG2 3.78Å; V141-T148 CarbonylContact O-C 3.59Å; V141-T148 WeakPolarHBondContact O-CA 3.01Å; H142-T148 PolarHBondContact CE1-OG1 3.28Å; H142-T148 PolarHBondContact ND1-OG1 3.12Å
149	I	80.6	Confident	83	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.4	178.4	-72.3	164.5	0	0	0	109	N140 V141 T143 Y151 V214 T215 Y218	N140-I149 CarbonylContact C-O 3.48Å; N140-I149 WeakPolarHBondContact CA-O 3.23Å; V141-I149 HydrophobicContact CB-CB 4.35Å; V141-I149 PolarHBondContact N-O 3.02Å; V141-I149 PolarHBondContact O-N 3.46Å; T143-I149 HydrophobicContact CG2-CD1 3.91Å; I149-Y151 PolarHBondContact O-N 3.02Å; I149-V214 HydrophobicContact CD1-CB 4.5Å; I149-V214 HydrophobicContact CD1-CG1 3.36Å; I149-T215 HydrophobicContact CD1-CG2 4.27Å; I149-T215 HydrophobicContact CG1-CG2 4.28Å; I149-Y218 HydrophobicContact CB-CD2 4.46Å; I149-Y218 HydrophobicContact CD1-CD2 3.7Å; I149-Y218 HydrophobicContact CD1-CE2 4.09Å; I149-Y218 HydrophobicContact CG1-CD2 4.2Å; I149-Y218 HydrophobicContact CG2-CD1 3.9Å; I149-Y218 HydrophobicContact CG2-CD2 3.52Å; I149-Y218 HydrophobicContact CG2-CE2 4.26Å; I149-Y218 HydrophobicContact CG2-CG 3.31Å
150	Q	83.5	Confident	83.1	Confident	116 Å²	116	32.6 Å²	32.6	54%	0.542	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	107.5	174.9	-170.1	-179.6	-40.6	0	0	110.2	L138	L138-Q150 HydrophobicContact CD1-CG 3.63Å; L138-Q150 HydrophobicContact CD2-CG 4.45Å; L138-Q150 HydrophobicContact CG-CG 4.31Å
151	Y	85.4	Confident	83.2	Confident	3 Å²	3	31.9 Å²	31.9	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.2	176.7	-178.7	-103.8	0	0	0	110.8	L139 I149 G153 P154 Y155 L160 L163 M225	L139-Y151 HydrophobicContact CB-CD1 4.48Å; L139-Y151 HydrophobicContact CD2-CD1 4.2Å; L139-Y151 HydrophobicContact CD2-CG 4.32Å; L139-Y151 WeakPolarHBondContact O-CB 3.33Å; L139-Y151 PolarHBondContact O-N 3.02Å; I149-Y151 PolarHBondContact O-N 3.02Å; Y151-G153 VanDerWaalsContact CE1-C 3.41Å; Y151-G153 VanDerWaalsContact CE1-O 3.25Å; Y151-G153 WeakPolarHBondContact CE1-O 3.48Å; Y151-G153 VanDerWaalsContact CZ-CA 3.43Å; Y151-G153 WeakPolarHBondContact OH-CA 3.41Å; Y151-P154 PolarHBondContact OH-O 3.45Å; Y151-Y155 HydrophobicContact CD1-CD1 4.19Å; Y151-Y155 AromaticContact CD1-CE1 3.65Å; Y151-Y155 HydrophobicContact CD1-CE1 3.65Å; Y151-Y155 HydrophobicContact CE1-CD1 4.03Å; Y151-Y155 AromaticContact CE1-CE1 3.96Å; Y151-Y155 HydrophobicContact CE1-CE1 3.96Å; Y151-L160 HydrophobicContact CE1-CD2 4.09Å; Y151-L163 HydrophobicContact CD1-CD2 4.48Å; Y151-L163 HydrophobicContact CD2-CB 4.46Å; Y151-L163 HydrophobicContact CD2-CD1 3.71Å; Y151-L163 HydrophobicContact CD2-CD2 3.62Å; Y151-L163 HydrophobicContact CD2-CG 4.14Å; Y151-L163 HydrophobicContact CE2-CB 4.07Å; Y151-L163 HydrophobicContact CE2-CD1 4.13Å; Y151-L163 HydrophobicContact CE2-CD2 3.88Å; Y151-L163 HydrophobicContact CE2-CG 4.25Å; Y151-L163 HydrophobicContact CG-CD2 3.93Å; Y151-M225 HydrophobicContact CD2-CE 4.06Å; Y151-M225 HydrophobicContact CE2-CE 3.68Å
152	S	77.4	Confident	83.3	Confident	48 Å²	48	33.3 Å²	33.3	34%	0.336	19%	0.191	S	C	.	.			trans	-131.9	16.5	179.6	52.4	0	0	0	0	113.9	P222	S152-P222 WeakPolarHBondContact O-CG 3.38Å; S152-P222 WeakPolarHBondContact OG-CD 3.47Å; S152-P222 WeakPolarHBondContact OG-CG 3.37Å
153	G	81	Confident	83.5	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	-88.9	-174.7	179.3	0	0	0	0	0	112.5	Y151	Y151-G153 VanDerWaalsContact CE1-C 3.41Å; Y151-G153 VanDerWaalsContact CE1-O 3.25Å; Y151-G153 WeakPolarHBondContact CE1-O 3.48Å; Y151-G153 VanDerWaalsContact CZ-CA 3.43Å; Y151-G153 WeakPolarHBondContact OH-CA 3.41Å
154	P	86.5	Confident	84	Confident	13 Å²	13	31 Å²	31	8%	0.084	18%	0.178	C	C	.	.			trans	-73.1	133.9	-179.8	-12.6	31.3	0	0	0	110.6	Y151 T156 H159 L223 L300 L566	Y151-P154 PolarHBondContact OH-O 3.45Å; P154-T156 HydrophobicContact CB-CG2 4.27Å; P154-T156 PolarHBondContact O-N 3.27Å; P154-H159 HydrophobicContact CB-CB 4.48Å; P154-H159 WeakPolarHBondContact O-CB 3.44Å; P154-L223 HydrophobicContact CG-CD2 4.3Å; P154-L300 HydrophobicContact CG-CD2 3.39Å; P154-L566 HydrophobicContact CB-CD2 3.99Å; P154-L566 HydrophobicContact CG-CD1 3.87Å; P154-L566 HydrophobicContact CG-CD2 4.08Å
155	Y	89.4	Confident	84.7	Confident	35 Å²	35	31.5 Å²	31.5	14%	0.137	18%	0.177	C	C	.	.			trans	-80.8	41.7	177.2	-63.2	-71.2	0	0	0	113.2	V100 N103 F104 P137 L138 L139 Y151 L160	V100-Y155 VanDerWaalsContact CG1-CB 3.43Å; V100-Y155 HydrophobicContact CG1-CD2 4.22Å; V100-Y155 HydrophobicContact CG1-CG 4.1Å; N103-Y155 WeakPolarHBondContact CB-O 3.47Å; N103-Y155 PolarHBondContact ND2-O 3.49Å; F104-Y155 AromaticContact CE2-CD1 3.59Å; F104-Y155 HydrophobicContact CE2-CD1 3.59Å; F104-Y155 HydrophobicContact CE2-CE1 4.24Å; F104-Y155 HydrophobicContact CE2-CG 4.14Å; F104-Y155 AromaticContact CZ-CD1 3.49Å; F104-Y155 HydrophobicContact CZ-CD1 3.49Å; F104-Y155 VanDerWaalsContact CZ-CD1 3.49Å; F104-Y155 AromaticContact CZ-CE1 3.85Å; F104-Y155 HydrophobicContact CZ-CE1 3.85Å; F104-Y155 HydrophobicContact CZ-CG 4.46Å; P137-Y155 HydrophobicContact CG-CD2 3.98Å; P137-Y155 HydrophobicContact CG-CE2 3.74Å; P137-Y155 PolarHBondContact O-OH 2.97Å; L138-Y155 WeakPolarHBondContact CA-OH 3.41Å; L139-Y155 HydrophobicContact CB-CE1 3.74Å; L139-Y155 HydrophobicContact CD2-CE1 4.48Å; L139-Y155 PolarHBondContact N-OH 2.8Å; L139-Y155 VanDerWaalsContact N-OH 3.15Å; Y151-Y155 HydrophobicContact CD1-CD1 4.19Å; Y151-Y155 AromaticContact CD1-CE1 3.65Å; Y151-Y155 HydrophobicContact CD1-CE1 3.65Å; Y151-Y155 HydrophobicContact CE1-CD1 4.03Å; Y151-Y155 AromaticContact CE1-CE1 3.96Å; Y151-Y155 HydrophobicContact CE1-CE1 3.96Å; Y155-L160 HydrophobicContact CD1-CD2 4.18Å
156	T	89.2	Confident	85.5	Confident	31 Å²	31	27.9 Å²	27.9	19%	0.19	15%	0.153	C	C	.	.	S	Bend	trans	-86.9	154	171.2	66.7	0	0	0	0	109.9	P154 S158 H159 L160 L566	P154-T156 HydrophobicContact CB-CG2 4.27Å; P154-T156 PolarHBondContact O-N 3.27Å; T156-S158 VanDerWaalsContact C-N 3.31Å; T156-S158 PolarHBondContact O-N 3.27Å; T156-H159 PolarHBondContact O-N 3.2Å; T156-H159 WeakPolarHBondContact OG1-CB 3.29Å; T156-H159 PolarHBondContact OG1-N 3.38Å; T156-H159 PolarHBondContact OG1-ND1 3.36Å; T156-L160 WeakPolarHBondContact O-CG 3.2Å; T156-L160 PolarHBondContact O-N 3.11Å; T156-L566 HydrophobicContact CG2-CD2 4.37Å
157	I	91.2	Very high	86.2	Confident	37 Å²	37	23.3 Å²	23.3	19%	0.19	12%	0.124	C	C	.	.	H	α-helix	trans	-51.2	-51.6	179.2	-63.6	172.7	0	0	0	110.7	N103 A106 V107 M110 H159 L160 L161 H512	N103-I157 HydrophobicContact CB-CG1 3.97Å; A106-I157 HydrophobicContact CB-CD1 3.82Å; A106-I157 HydrophobicContact CB-CG1 4.28Å; V107-I157 HydrophobicContact CG2-CB 4.33Å; V107-I157 HydrophobicContact CG2-CG1 4.42Å; V107-I157 HydrophobicContact CG2-CG2 4.09Å; M110-I157 HydrophobicContact CE-CG2 4.47Å; I157-H159 PolarHBondContact O-N 2.84Å; I157-L160 PolarHBondContact O-N 3.18Å; I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.28Å; I157-L161 WeakPolarHBondContact O-CG 3.47Å; I157-L161 PolarHBondContact O-N 2.94Å; I157-H512 HydrophobicContact CG2-CB 4.4Å
158	S	91.4	Very high	86.6	Confident	11 Å²	11	23.3 Å²	23.3	8%	0.077	13%	0.129	C	C	.	.	H	α-helix	trans	-59.5	-42.9	-178.5	-45.2	0	0	0	0	113.6	T156 L161 K162 L327 H512 V513 L516	T156-S158 VanDerWaalsContact C-N 3.31Å; T156-S158 PolarHBondContact O-N 3.27Å; S158-L161 PolarHBondContact O-N 3.36Å; S158-K162 WeakPolarHBondContact O-CB 3.44Å; S158-K162 PolarHBondContact O-N 3.39Å; S158-L327 VanDerWaalsContact CB-CD1 3.4Å; S158-H512 WeakPolarHBondContact CB-O 3.4Å; S158-H512 PolarHBondContact OG-O 3.29Å; S158-V513 WeakPolarHBondContact O-CG2 3.41Å; S158-L516 WeakPolarHBondContact OG-CD1 3.28Å
159	H	90.3	Very high	86.8	Confident	10 Å²	10	24.8 Å²	24.8	5%	0.046	13%	0.13	C	C	.	.	H	α-helix	trans	-71.6	-34.1	-180	-76.9	84.2	0	0	0	112.7	P154 T156 I157 L163 L223 S326	P154-H159 HydrophobicContact CB-CB 4.48Å; P154-H159 WeakPolarHBondContact O-CB 3.44Å; T156-H159 PolarHBondContact O-N 3.2Å; T156-H159 WeakPolarHBondContact OG1-CB 3.29Å; T156-H159 PolarHBondContact OG1-N 3.38Å; T156-H159 PolarHBondContact OG1-ND1 3.36Å; I157-H159 PolarHBondContact O-N 2.84Å; H159-L163 WeakPolarHBondContact O-CB 3.35Å; H159-L163 PolarHBondContact O-N 3.43Å; H159-L223 WeakPolarHBondContact NE2-CD2 3.45Å; H159-S326 PolarHBondContact CE1-OG 2.88Å; H159-S326 VanDerWaalsContact CE1-OG 3.28Å; H159-S326 PolarHBondContact NE2-OG 3.26Å
160	L	91.4	Very high	87.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.6	-39.7	174.4	-70.8	173.3	0	0	0	111.5	F104 V107 L139 Y151 Y155 T156 I157 L163 F164	F104-L160 HydrophobicContact CD1-CD1 4.32Å; F104-L160 HydrophobicContact CD2-CD1 4.41Å; F104-L160 HydrophobicContact CE1-CD1 4.11Å; F104-L160 HydrophobicContact CE1-CD2 4.35Å; F104-L160 HydrophobicContact CE2-CD1 4.19Å; F104-L160 HydrophobicContact CG-CD1 4.48Å; F104-L160 HydrophobicContact CZ-CD1 4.04Å; F104-L160 HydrophobicContact CZ-CD2 4.23Å; V107-L160 HydrophobicContact CG1-CB 4.13Å; V107-L160 HydrophobicContact CG2-CB 3.77Å; V107-L160 HydrophobicContact CG2-CD1 3.98Å; L139-L160 HydrophobicContact CD2-CD2 3.83Å; Y151-L160 HydrophobicContact CE1-CD2 4.09Å; Y155-L160 HydrophobicContact CD1-CD2 4.18Å; T156-L160 WeakPolarHBondContact O-CG 3.2Å; T156-L160 PolarHBondContact O-N 3.11Å; I157-L160 PolarHBondContact O-N 3.18Å; L160-L163 HydrophobicContact CD2-CD2 4.02Å; L160-L163 VanDerWaalsContact O-CB 3.28Å; L160-L163 WeakPolarHBondContact O-CB 3.15Å; L160-L163 PolarHBondContact O-N 2.98Å; L160-F164 WeakPolarHBondContact O-CD2 3.39Å; L160-F164 PolarHBondContact O-N 3.34Å
161	L	92	Very high	87.4	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-41.5	173.7	-68.6	173.2	0	0	0	111.4	V107 M110 I111 I157 S158 L163 F164 H165 F505 H512 V513	V107-L161 HydrophobicContact CG1-CD2 4.43Å; V107-L161 HydrophobicContact CG2-CG 4.47Å; M110-L161 HydrophobicContact CB-CD2 3.99Å; M110-L161 HydrophobicContact SD-CD1 3.89Å; M110-L161 HydrophobicContact SD-CD2 4.2Å; I111-L161 HydrophobicContact CG2-CD2 3.85Å; I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.28Å; I157-L161 WeakPolarHBondContact O-CG 3.47Å; I157-L161 PolarHBondContact O-N 2.94Å; S158-L161 PolarHBondContact O-N 3.36Å; L161-L163 VanDerWaalsContact C-N 3.31Å; L161-L163 PolarHBondContact O-N 2.9Å; L161-F164 PolarHBondContact O-N 3.23Å; L161-H165 VanDerWaalsContact O-CB 3.22Å; L161-H165 WeakPolarHBondContact O-CB 3.49Å; L161-H165 PolarHBondContact O-N 3.5Å; L161-F505 HydrophobicContact CD2-CE2 3.92Å; L161-H512 HydrophobicContact CD1-CB 3.45Å; L161-H512 VanDerWaalsContact CD1-CB 3.45Å; L161-V513 HydrophobicContact CB-CG2 4.28Å
162	K	89.7	Confident	87.5	Confident	31 Å²	31	24.2 Å²	24.2	14%	0.135	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-39.4	173.4	-171	169.3	-177	175.3	0	112.1	S158 F166 L327 V513	S158-K162 WeakPolarHBondContact O-CB 3.44Å; S158-K162 PolarHBondContact O-N 3.39Å; K162-F166 WeakPolarHBondContact O-CB 3.23Å; K162-F166 PolarHBondContact O-N 3.49Å; K162-L327 HydrophobicContact CB-CD2 4.45Å; K162-L327 HydrophobicContact CD-CD2 3.79Å; K162-L327 VanDerWaalsContact NZ-C 3.28Å; K162-L327 PolarHBondContact NZ-O 2.9Å; K162-V513 HydrophobicContact CD-CG1 4.45Å
163	L	89	Confident	88	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-56.8	172.3	162	70.9	0	0	0	111.4	L139 V141 Y151 H159 L160 L161 H165 F166 I167 Y218	L139-L163 HydrophobicContact CD2-CD2 3.73Å; V141-L163 HydrophobicContact CG2-CD2 4.41Å; Y151-L163 HydrophobicContact CD1-CD2 4.48Å; Y151-L163 HydrophobicContact CD2-CB 4.46Å; Y151-L163 HydrophobicContact CD2-CD1 3.71Å; Y151-L163 HydrophobicContact CD2-CD2 3.62Å; Y151-L163 HydrophobicContact CD2-CG 4.14Å; Y151-L163 HydrophobicContact CE2-CB 4.07Å; Y151-L163 HydrophobicContact CE2-CD1 4.13Å; Y151-L163 HydrophobicContact CE2-CD2 3.88Å; Y151-L163 HydrophobicContact CE2-CG 4.25Å; Y151-L163 HydrophobicContact CG-CD2 3.93Å; H159-L163 WeakPolarHBondContact O-CB 3.35Å; H159-L163 PolarHBondContact O-N 3.43Å; L160-L163 HydrophobicContact CD2-CD2 4.02Å; L160-L163 VanDerWaalsContact O-CB 3.28Å; L160-L163 WeakPolarHBondContact O-CB 3.15Å; L160-L163 PolarHBondContact O-N 2.98Å; L161-L163 VanDerWaalsContact C-N 3.31Å; L161-L163 PolarHBondContact O-N 2.9Å; L163-H165 VanDerWaalsContact C-N 3.33Å; L163-H165 PolarHBondContact O-N 3.18Å; L163-F166 PolarHBondContact O-N 3.4Å; L163-I167 HydrophobicContact CD1-CD1 3.8Å; L163-I167 HydrophobicContact CG-CD1 4.06Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 2.66Å; L163-I167 VanDerWaalsContact O-N 3.09Å; L163-Y218 HydrophobicContact CD1-CD1 4.23Å; L163-Y218 HydrophobicContact CD1-CE1 3.21Å; L163-Y218 HydrophobicContact CD1-CE2 4.41Å; L163-Y218 WeakPolarHBondContact CD1-OH 3.48Å; L163-Y218 PolarHBondContact O-OH 2.81Å
164	F	89	Confident	88.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70	-30.7	-176	-72.5	-65.5	0	0	0	112.6	V107 I111 Y113 I115 V141 L160 L161 I167 G168 F505	V107-F164 HydrophobicContact CG1-CD2 4.02Å; V107-F164 HydrophobicContact CG1-CE2 3.98Å; I111-F164 HydrophobicContact CD1-CD1 4.24Å; I111-F164 HydrophobicContact CD1-CD2 3.81Å; I111-F164 HydrophobicContact CD1-CE1 4.11Å; I111-F164 HydrophobicContact CD1-CE2 3.7Å; I111-F164 HydrophobicContact CD1-CG 4.1Å; I111-F164 HydrophobicContact CD1-CZ 3.85Å; I111-F164 HydrophobicContact CG2-CB 3.93Å; I111-F164 HydrophobicContact CG2-CD2 3.83Å; I111-F164 HydrophobicContact CG2-CG 4.04Å; Y113-F164 HydrophobicContact CD2-CB 4.12Å; Y113-F164 AromaticContact CD2-CD1 3.48Å; Y113-F164 HydrophobicContact CD2-CD1 3.48Å; Y113-F164 VanDerWaalsContact CD2-CD1 3.48Å; Y113-F164 HydrophobicContact CD2-CE1 4.22Å; Y113-F164 HydrophobicContact CD2-CG 4.09Å; Y113-F164 HydrophobicContact CE2-CB 4.1Å; Y113-F164 HydrophobicContact CE2-CD1 4.05Å; Y113-F164 HydrophobicContact CG-CD1 4.42Å; I115-F164 HydrophobicContact CD1-CE2 4.02Å; I115-F164 HydrophobicContact CD1-CZ 3.97Å; I115-F164 HydrophobicContact CG1-CZ 4.21Å; V141-F164 HydrophobicContact CG2-CE1 4.46Å; L160-F164 WeakPolarHBondContact O-CD2 3.39Å; L160-F164 PolarHBondContact O-N 3.34Å; L161-F164 PolarHBondContact O-N 3.23Å; F164-I167 HydrophobicContact CD1-CD1 4.06Å; F164-I167 HydrophobicContact CE1-CD1 4.5Å; F164-I167 PolarHBondContact O-N 2.99Å; F164-G168 PolarHBondContact O-N 3.31Å; F164-G168 VanDerWaalsContact O-N 3.12Å; F164-F505 HydrophobicContact CB-CZ 4.07Å
165	H	89.6	Confident	88	Confident	34 Å²	34	30.1 Å²	30.1	16%	0.157	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-43.2	172.9	-179	73.5	0	0	0	111.2	L161 L163 G168 F169 F505 H509	L161-H165 VanDerWaalsContact O-CB 3.22Å; L161-H165 WeakPolarHBondContact O-CB 3.49Å; L161-H165 PolarHBondContact O-N 3.5Å; L163-H165 VanDerWaalsContact C-N 3.33Å; L163-H165 PolarHBondContact O-N 3.18Å; H165-G168 PolarHBondContact O-N 2.74Å; H165-F169 AromaticContact CE1-CD2 3.7Å; H165-F169 AromaticContact ND1-CD2 3.84Å; H165-F169 PolarHBondContact O-N 3.38Å; H165-F505 HydrophobicContact CB-CE1 3.99Å; H165-F505 HydrophobicContact CB-CZ 3.84Å; H165-H509 VanDerWaalsContact CB-CD2 3.46Å; H165-H509 WeakPolarHBondContact CB-CD2 3.47Å; H165-H509 AromaticContact CD2-NE2 3.89Å; H165-H509 AromaticContact CG-CD2 3.66Å; H165-H509 AromaticContact CG-NE2 3.88Å
166	F	86.5	Confident	87.6	Confident	13 Å²	13	30.2 Å²	30.2	6%	0.057	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-41.8	176	177.9	-97.7	0	0	0	112.9	K162 L163 G168 F169 P170 S213 K217 Y218	K162-F166 WeakPolarHBondContact O-CB 3.23Å; K162-F166 PolarHBondContact O-N 3.49Å; L163-F166 PolarHBondContact O-N 3.4Å; F166-G168 VanDerWaalsContact C-N 3.26Å; F166-G168 PolarHBondContact O-N 2.97Å; F166-F169 CarbonylContact O-C 3.56Å; F166-F169 VanDerWaalsContact O-C 3.25Å; F166-F169 PolarHBondContact O-N 2.83Å; F166-P170 HydrophobicContact CD2-CB 4.39Å; F166-P170 HydrophobicContact CE1-CB 4.11Å; F166-P170 VanDerWaalsContact CE2-CA 3.4Å; F166-P170 HydrophobicContact CE2-CB 3.67Å; F166-P170 HydrophobicContact CZ-CB 3.53Å; F166-P170 VanDerWaalsContact O-CA 3.29Å; F166-P170 WeakPolarHBondContact O-CA 3.39Å; F166-P170 WeakPolarHBondContact O-CB 3.01Å; F166-P170 WeakPolarHBondContact O-CD 3.31Å; F166-S213 WeakPolarHBondContact CZ-O 3.4Å; F166-K217 HydrophobicContact CD2-CD 4.47Å; F166-K217 HydrophobicContact CE1-CB 4.03Å; F166-K217 HydrophobicContact CE1-CD 4.05Å; F166-K217 HydrophobicContact CE1-CG 4.31Å; F166-K217 HydrophobicContact CE2-CD 3.58Å; F166-K217 HydrophobicContact CZ-CB 4.08Å; F166-K217 HydrophobicContact CZ-CD 3.3Å; F166-K217 VanDerWaalsContact CZ-CE 3.47Å; F166-K217 HydrophobicContact CZ-CG 3.84Å; F166-Y218 AromaticContact CD1-CE2 3.57Å; F166-Y218 HydrophobicContact CD1-CE2 3.57Å; F166-Y218 AromaticContact CD1-CZ 3.63Å; F166-Y218 WeakPolarHBondContact CD1-OH 3.26Å; F166-Y218 AromaticContact CE1-CE2 3.7Å; F166-Y218 HydrophobicContact CE1-CE2 3.7Å
167	I	84.6	Confident	87.1	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-37.6	177.6	-67.3	156.3	0	0	0	111.3	V84 V141 T143 L163 F164 V214 Y218	V84-I167 HydrophobicContact CG1-CG2 3.74Å; V84-I167 HydrophobicContact CG2-CG2 4.16Å; V141-I167 HydrophobicContact CB-CD1 4.36Å; V141-I167 HydrophobicContact CG1-CD1 3.71Å; V141-I167 HydrophobicContact CG2-CD1 4.37Å; T143-I167 HydrophobicContact CG2-CG2 3.96Å; L163-I167 HydrophobicContact CD1-CD1 3.8Å; L163-I167 HydrophobicContact CG-CD1 4.06Å; L163-I167 WeakPolarHBondContact O-CG1 3.45Å; L163-I167 PolarHBondContact O-N 2.66Å; L163-I167 VanDerWaalsContact O-N 3.09Å; F164-I167 HydrophobicContact CD1-CD1 4.06Å; F164-I167 HydrophobicContact CE1-CD1 4.5Å; F164-I167 PolarHBondContact O-N 2.99Å; I167-V214 HydrophobicContact CG1-CG1 4.28Å; I167-V214 HydrophobicContact CG2-CG1 4.43Å; I167-Y218 HydrophobicContact CG1-CE2 4.25Å
168	G	81.5	Confident	86.6	Confident	23 Å²	23	32.6 Å²	32.6	24%	0.237	18%	0.175	C	C	.	.	H	α-helix	trans	-73.1	-33.5	175.6	0	0	0	0	0	114	Y113 F164 H165 F166	Y113-G168 VanDerWaalsContact OH-CA 3.28Å; Y113-G168 WeakPolarHBondContact OH-CA 3.37Å; F164-G168 PolarHBondContact O-N 3.31Å; F164-G168 VanDerWaalsContact O-N 3.12Å; H165-G168 PolarHBondContact O-N 2.74Å; F166-G168 VanDerWaalsContact C-N 3.26Å; F166-G168 PolarHBondContact O-N 2.97Å
169	F	84.4	Confident	86.3	Confident	102 Å²	102	34.2 Å²	34.2	45%	0.447	18%	0.183	S	C	.	.			trans	-136.1	68.3	-175	-57.3	-76.8	0	0	0	112.8	H165 F166 L171 Q502	H165-F169 AromaticContact CE1-CD2 3.7Å; H165-F169 AromaticContact ND1-CD2 3.84Å; H165-F169 PolarHBondContact O-N 3.38Å; F166-F169 CarbonylContact O-C 3.56Å; F166-F169 VanDerWaalsContact O-C 3.25Å; F166-F169 PolarHBondContact O-N 2.83Å; F169-L171 PolarHBondContact O-N 3.37Å; F169-Q502 VanDerWaalsContact CZ-CD 3.44Å; F169-Q502 HydrophobicContact CZ-CG 4.21Å
170	P	86.2	Confident	85.9	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.032	18%	0.181	C	C	.	.			trans	-79.6	-19.1	-173.2	31	-36.4	0	0	0	113.9	F166 H210 S213 V214	F166-P170 HydrophobicContact CD2-CB 4.39Å; F166-P170 HydrophobicContact CE1-CB 4.11Å; F166-P170 VanDerWaalsContact CE2-CA 3.4Å; F166-P170 HydrophobicContact CE2-CB 3.67Å; F166-P170 HydrophobicContact CZ-CB 3.53Å; F166-P170 VanDerWaalsContact O-CA 3.29Å; F166-P170 WeakPolarHBondContact O-CA 3.39Å; F166-P170 WeakPolarHBondContact O-CB 3.01Å; F166-P170 WeakPolarHBondContact O-CD 3.31Å; P170-H210 VanDerWaalsContact CG-NE2 3.35Å; P170-H210 WeakPolarHBondContact CG-NE2 3.44Å; P170-S213 WeakPolarHBondContact CB-OG 3.24Å; P170-S213 VanDerWaalsContact CG-OG 3.3Å; P170-S213 WeakPolarHBondContact CG-OG 3.33Å; P170-V214 HydrophobicContact CB-CG2 3.83Å; P170-V214 HydrophobicContact CG-CG2 3.58Å
171	L	89.3	Confident	85.4	Confident	35 Å²	35	34.7 Å²	34.7	18%	0.183	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.5	-173.3	-58.2	176.4	0	0	0	111.8	F169 F206 F209 F231 V233	F169-L171 PolarHBondContact O-N 3.37Å; L171-F206 HydrophobicContact CD1-CE2 3.78Å; L171-F206 HydrophobicContact CD1-CZ 3.99Å; L171-F209 HydrophobicContact CD1-CD1 4.48Å; L171-F209 HydrophobicContact CD2-CD1 4.04Å; L171-F209 HydrophobicContact CD2-CE1 3.58Å; L171-F209 HydrophobicContact CD2-CZ 4.39Å; L171-F231 WeakPolarHBondContact CA-O 3.45Å; L171-F231 HydrophobicContact CD2-CB 3.6Å; L171-V233 HydrophobicContact CB-CG2 4.49Å; L171-V233 HydrophobicContact CD1-CG2 3.82Å; L171-V233 HydrophobicContact CD2-CG2 4.4Å; L171-V233 HydrophobicContact CG-CG2 4.45Å
172	K	88.4	Confident	85.1	Confident	74 Å²	74	36.4 Å²	36.4	32%	0.322	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.3	169.2	-65.8	-69	-173.7	176.9	0	110.3	V230 F231 S232 V233 E329	K172-V230 HydrophobicContact CB-CG2 4.31Å; K172-V230 HydrophobicContact CG-CG2 3.84Å; K172-F231 PolarHBondContact N-O 3.14Å; K172-S232 CarbonylContact O-C 3.55Å; K172-S232 WeakPolarHBondContact O-CA 3.28Å; K172-S232 WeakPolarHBondContact O-CB 3.32Å; K172-V233 PolarHBondContact O-N 3.2Å; K172-E329 IonicContact NZ-OE2 3.46Å
173	T	87.7	Confident	84.8	Confident	92 Å²	92	35.9 Å²	35.9	56%	0.564	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.5	175.6	54.2	0	0	0	0	111	V233	T173-V233 CarbonylContact C-O 3.53Å; T173-V233 WeakPolarHBondContact CA-O 3.37Å
174	I	85.2	Confident	84.4	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.6	171.6	-68.8	157	0	0	0	107.9	S176 D179 L180 L183 L192 S232 V233 L239	I174-S176 WeakPolarHBondContact CG2-O 3.33Å; I174-D179 HydrophobicContact CG2-CB 4.22Å; I174-L180 HydrophobicContact CD1-CD1 4.07Å; I174-L180 HydrophobicContact CG2-CB 4.13Å; I174-L183 HydrophobicContact CD1-CD1 3.75Å; I174-L183 HydrophobicContact CG1-CD1 3.76Å; I174-L192 HydrophobicContact CD1-CD1 3.51Å; I174-L192 HydrophobicContact CD1-CD2 4.48Å; I174-S232 VanDerWaalsContact CD1-OG 3.32Å; I174-S232 WeakPolarHBondContact CD1-OG 3.37Å; I174-V233 PolarHBondContact N-O 3.32Å; I174-L239 HydrophobicContact CG2-CD2 3.85Å
175	N	82.2	Confident	83.9	Confident	92 Å²	92	36.6 Å²	36.6	49%	0.492	20%	0.196	S	C	.	.			trans	-109.6	-18.3	-179.8	-60.8	-39.3	0	0	0	112	D179 T235	N175-D179 PolarHBondContact N-OD2 3.04Å; N175-T235 PolarHBondContact OD1-OG1 3.35Å
176	S	80.4	Confident	83.5	Confident	37 Å²	37	35.2 Å²	35.2	26%	0.259	19%	0.19	S	C	.	.	S	Bend	trans	-140.9	164	-178.7	68.9	0	0	0	0	112.1	I174 D178 D179 L180	I174-S176 WeakPolarHBondContact CG2-O 3.33Å; S176-D178 PolarHBondContact O-N 3.42Å; S176-D179 PolarHBondContact N-OD2 2.88Å; S176-D179 WeakPolarHBondContact O-CB 3.41Å; S176-D179 PolarHBondContact O-N 2.92Å; S176-D179 PolarHBondContact OG-N 3.49Å; S176-D179 PolarHBondContact OG-OD1 3.32Å; S176-D179 PolarHBondContact OG-OD2 2.88Å; S176-L180 PolarHBondContact O-N 3.04Å
177	L	79.2	Confident	83.3	Confident	64 Å²	64	35.2 Å²	35.2	34%	0.335	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-34.2	173.6	-175.7	63.7	0	0	0	111.9	D179 L180 H181 L239 F363	L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.28Å; L177-L180 HydrophobicContact CD1-CD2 4.31Å; L177-L180 WeakPolarHBondContact O-CB 3.34Å; L177-L180 PolarHBondContact O-N 3.49Å; L177-H181 WeakPolarHBondContact CG-NE2 3.45Å; L177-H181 PolarHBondContact O-CD2 2.82Å; L177-H181 VanDerWaalsContact O-CG 3.3Å; L177-H181 PolarHBondContact O-N 2.93Å; L177-L239 HydrophobicContact CB-CD1 4.3Å; L177-F363 HydrophobicContact CD1-CE2 4.46Å
178	D	79.9	Confident	82.9	Confident	54 Å²	54	37 Å²	37	29%	0.289	20%	0.198	S	C	.	.	H	α-helix	trans	-65	-36	176.5	-77.6	-1	0	0	0	112.1	S176 L180 H181 L182 R378	S176-D178 PolarHBondContact O-N 3.42Å; D178-L180 VanDerWaalsContact C-N 3.32Å; D178-L180 PolarHBondContact O-N 3.13Å; D178-H181 PolarHBondContact O-N 3.22Å; D178-L182 WeakPolarHBondContact O-CB 3.4Å; D178-L182 PolarHBondContact O-N 3.23Å; D178-R378 IonicContact OD2-CZ 2.89Å; D178-R378 IonicContact OD2-NH1 3.86Å; D178-R378 PolarHBondContact OD2-NH1 3.38Å
179	D	84.9	Confident	82.8	Confident	45 Å²	45	36 Å²	36	24%	0.241	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-42.5	174.2	-57.9	-35.6	0	0	0	110.4	I174 N175 S176 L177 L182 L183	I174-D179 HydrophobicContact CG2-CB 4.22Å; N175-D179 PolarHBondContact N-OD2 3.04Å; S176-D179 PolarHBondContact N-OD2 2.88Å; S176-D179 WeakPolarHBondContact O-CB 3.41Å; S176-D179 PolarHBondContact O-N 2.92Å; S176-D179 PolarHBondContact OG-N 3.49Å; S176-D179 PolarHBondContact OG-OD1 3.32Å; S176-D179 PolarHBondContact OG-OD2 2.88Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.28Å; D179-L182 PolarHBondContact O-N 2.95Å; D179-L183 WeakPolarHBondContact O-CG 3.35Å; D179-L183 PolarHBondContact O-N 2.78Å; D179-L183 VanDerWaalsContact O-N 3.09Å
180	L	82.9	Confident	82.6	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-46.8	175.8	178.7	59.9	0	0	0	111	I174 S176 L177 D178 L182 L183 I184 L192 F244 I254 F363	I174-L180 HydrophobicContact CD1-CD1 4.07Å; I174-L180 HydrophobicContact CG2-CB 4.13Å; S176-L180 PolarHBondContact O-N 3.04Å; L177-L180 HydrophobicContact CD1-CD2 4.31Å; L177-L180 WeakPolarHBondContact O-CB 3.34Å; L177-L180 PolarHBondContact O-N 3.49Å; D178-L180 VanDerWaalsContact C-N 3.32Å; D178-L180 PolarHBondContact O-N 3.13Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 2.92Å; L180-L183 WeakPolarHBondContact O-CB 3.38Å; L180-L183 PolarHBondContact O-N 2.73Å; L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CG-CD1 4.14Å; L180-I184 WeakPolarHBondContact O-CG1 3.48Å; L180-I184 PolarHBondContact O-N 2.75Å; L180-L192 HydrophobicContact CD1-CD2 4.37Å; L180-F244 HydrophobicContact CD2-CZ 4.18Å; L180-I254 HydrophobicContact CD1-CD1 3.69Å; L180-F363 HydrophobicContact CD2-CE2 4.07Å; L180-F363 HydrophobicContact CD2-CZ 4.04Å
181	H	81.8	Confident	82.5	Confident	18 Å²	18	31 Å²	31	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-39.5	177.7	-63.7	169.5	0	0	0	112.4	L177 D178 L183 I184 L185 L365 L367 I375	L177-H181 WeakPolarHBondContact CG-NE2 3.45Å; L177-H181 PolarHBondContact O-CD2 2.82Å; L177-H181 VanDerWaalsContact O-CG 3.3Å; L177-H181 PolarHBondContact O-N 2.93Å; D178-H181 PolarHBondContact O-N 3.22Å; H181-L183 VanDerWaalsContact C-N 3.28Å; H181-L183 PolarHBondContact O-N 2.71Å; H181-I184 PolarHBondContact O-N 2.86Å; H181-I184 VanDerWaalsContact O-N 3.12Å; H181-L185 WeakPolarHBondContact O-CG 3.18Å; H181-L185 PolarHBondContact O-N 3.48Å; H181-L365 WeakPolarHBondContact CD2-CD1 3.35Å; H181-L365 WeakPolarHBondContact NE2-CD1 3.16Å; H181-L367 HydrophobicContact CB-CD1 4.4Å; H181-I375 HydrophobicContact CB-CD1 3.69Å; H181-I375 HydrophobicContact CB-CG1 4.48Å; H181-I375 HydrophobicContact CB-CG2 4.17Å
182	L	84.1	Confident	82.3	Confident	35 Å²	35	29.4 Å²	29.4	18%	0.183	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-39	176.5	-177.4	62.6	0	0	0	111.7	D178 D179 L180 S186 M331 I375	D178-L182 WeakPolarHBondContact O-CB 3.4Å; D178-L182 PolarHBondContact O-N 3.23Å; D179-L182 PolarHBondContact O-N 2.95Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 2.92Å; L182-S186 WeakPolarHBondContact O-CB 3.43Å; L182-S186 PolarHBondContact O-N 3.04Å; L182-S186 PolarHBondContact O-OG 3.35Å; L182-M331 HydrophobicContact CD1-CE 4.21Å; L182-M331 HydrophobicContact CD1-CG 4.18Å; L182-M331 HydrophobicContact CD1-SD 3.65Å; L182-I375 HydrophobicContact CB-CG2 3.95Å; L182-I375 HydrophobicContact CD1-CG2 4.17Å
183	L	84.4	Confident	82	Confident	21 Å²	21	25.9 Å²	25.9	11%	0.11	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-41	173.8	-66.6	-179.6	0	0	0	111.8	I174 D179 L180 H181 L185 S186 H187 I190 V230	I174-L183 HydrophobicContact CD1-CD1 3.75Å; I174-L183 HydrophobicContact CG1-CD1 3.76Å; D179-L183 WeakPolarHBondContact O-CG 3.35Å; D179-L183 PolarHBondContact O-N 2.78Å; D179-L183 VanDerWaalsContact O-N 3.09Å; L180-L183 WeakPolarHBondContact O-CB 3.38Å; L180-L183 PolarHBondContact O-N 2.73Å; H181-L183 VanDerWaalsContact C-N 3.28Å; H181-L183 PolarHBondContact O-N 2.71Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 2.93Å; L183-S186 PolarHBondContact O-N 3.2Å; L183-H187 PolarHBondContact O-N 3.32Å; L183-H187 PolarHBondContact O-ND1 2.95Å; L183-H187 VanDerWaalsContact O-ND1 3.15Å; L183-I190 HydrophobicContact CB-CD1 3.96Å; L183-I190 HydrophobicContact CB-CG1 4.16Å; L183-I190 HydrophobicContact CD1-CG2 4.46Å; L183-V230 HydrophobicContact CD2-CG1 4.32Å; L183-V230 HydrophobicContact CD2-CG2 4.21Å
184	I	79.5	Confident	81.6	Confident	5 Å²	5	22.2 Å²	22.2	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-39.6	177.3	-64.8	168.9	0	0	0	111.5	L180 H181 S186 I190 I254 F363 L365	L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CG-CD1 4.14Å; L180-I184 WeakPolarHBondContact O-CG1 3.48Å; L180-I184 PolarHBondContact O-N 2.75Å; H181-I184 PolarHBondContact O-N 2.86Å; H181-I184 VanDerWaalsContact O-N 3.12Å; I184-S186 PolarHBondContact O-N 3.36Å; I184-I190 HydrophobicContact CB-CD1 4.11Å; I184-I190 HydrophobicContact CG1-CD1 3.42Å; I184-I190 VanDerWaalsContact CG1-CD1 3.42Å; I184-I254 HydrophobicContact CD1-CG2 4.29Å; I184-I254 HydrophobicContact CG1-CG2 4.25Å; I184-F363 HydrophobicContact CD1-CE1 4.08Å; I184-F363 HydrophobicContact CD1-CZ 3.96Å; I184-L365 HydrophobicContact CB-CD2 4.39Å; I184-L365 HydrophobicContact CD1-CD1 4.49Å; I184-L365 HydrophobicContact CD1-CD2 3.81Å; I184-L365 HydrophobicContact CG2-CD2 3.7Å
185	L	79.6	Confident	81.3	Confident	11 Å²	11	23 Å²	23	6%	0.058	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.3	176.2	-65.2	172.8	0	0	0	113.3	H181 L183 F292 L367 I375 L376	H181-L185 WeakPolarHBondContact O-CG 3.18Å; H181-L185 PolarHBondContact O-N 3.48Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L185 PolarHBondContact O-N 2.93Å; L185-F292 HydrophobicContact CD2-CD2 4.21Å; L185-F292 HydrophobicContact CD2-CE2 4.3Å; L185-L367 HydrophobicContact CD2-CD1 4.42Å; L185-I375 HydrophobicContact CD1-CB 3.99Å; L185-I375 HydrophobicContact CD1-CG2 3.83Å; L185-L376 HydrophobicContact CB-CD2 4.07Å; L185-L376 HydrophobicContact CD1-CD2 4.34Å; L185-L376 HydrophobicContact CD1-CG 4.1Å
186	S	81.1	Confident	80.8	Confident	4 Å²	4	21.2 Å²	21.2	3%	0.028	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-24.2	-172.1	-63.6	0	0	0	0	115.2	L182 L183 I184 M331 K339	L182-S186 WeakPolarHBondContact O-CB 3.43Å; L182-S186 PolarHBondContact O-N 3.04Å; L182-S186 PolarHBondContact O-OG 3.35Å; L183-S186 PolarHBondContact O-N 3.2Å; I184-S186 PolarHBondContact O-N 3.36Å; S186-M331 WeakPolarHBondContact OG-CE 3.38Å; S186-K339 PolarHBondContact OG-NZ 3.49Å
187	H	80.9	Confident	80.5	Confident	13 Å²	13	24.8 Å²	24.8	6%	0.06	12%	0.124	C	C	.	.			trans	-129.2	154.8	-171.8	-55	88.5	0	0	0	111.3	L183 I190 N226 K227 V230 S256	L183-H187 PolarHBondContact O-N 3.32Å; L183-H187 PolarHBondContact O-ND1 2.95Å; L183-H187 VanDerWaalsContact O-ND1 3.15Å; H187-I190 HydrophobicContact CB-CG1 4.36Å; H187-N226 PolarHBondContact CD2-O 3.12Å; H187-N226 VanDerWaalsContact CD2-O 3.23Å; H187-N226 PolarHBondContact NE2-O 3.44Å; H187-K227 PolarHBondContact CD2-O 3.31Å; H187-V230 HydrophobicContact CB-CB 4.34Å; H187-V230 HydrophobicContact CB-CG1 3.78Å; H187-V230 VanDerWaalsContact CG-CG1 3.48Å; H187-S256 WeakPolarHBondContact O-CB 3.35Å
188	K	77	Confident	80.1	Confident	44 Å²	44	30.4 Å²	30.4	19%	0.191	15%	0.149	C	C	.	.	S	Bend	trans	-78.4	-34.6	176.2	-67.7	-163.9	-179.8	-167.6	0	112.9	N228 S256	K188-N228 CarbonylContact C-O 3.42Å; K188-N228 WeakPolarHBondContact CA-O 3.34Å; K188-N228 HydrophobicContact CB-CB 4.18Å; K188-N228 WeakPolarHBondContact CB-O 3.22Å; K188-N228 HydrophobicContact CD-CB 4.29Å; K188-N228 VanDerWaalsContact CD-OD1 3.28Å; K188-N228 WeakPolarHBondContact CD-OD1 3.06Å; K188-N228 VanDerWaalsContact CE-OD1 3.32Å; K188-N228 WeakPolarHBondContact CE-OD1 3.09Å; K188-N228 HydrophobicContact CG-CB 4.29Å; K188-N228 WeakPolarHBondContact CG-OD1 3.3Å; K188-N228 PolarHBondContact N-O 2.82Å; K188-S256 WeakPolarHBondContact O-CB 3.21Å; K188-S256 PolarHBondContact O-N 2.94Å; K188-S256 PolarHBondContact O-OG 3.4Å
189	V	78.6	Confident	79.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.4	-179.7	-173.5	0	0	0	0	108.5	N228 I229 V230 I254 L280 Q284	V189-N228 PolarHBondContact N-O 2.75Å; V189-I229 HydrophobicContact CB-CG1 4.17Å; V189-I229 WeakPolarHBondContact O-CA 3.18Å; V189-V230 PolarHBondContact O-N 3.33Å; V189-I254 CarbonylContact C-O 3.58Å; V189-I254 WeakPolarHBondContact CA-O 3.43Å; V189-L280 HydrophobicContact CG1-CD2 3.58Å; V189-Q284 HydrophobicContact CG2-CB 4.48Å
190	I	82	Confident	78.5	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.5	176.8	-58.7	148.3	0	0	0	107.3	L183 I184 H187 L192 V230 S232 L253 I254	L183-I190 HydrophobicContact CB-CD1 3.96Å; L183-I190 HydrophobicContact CB-CG1 4.16Å; L183-I190 HydrophobicContact CD1-CG2 4.46Å; I184-I190 HydrophobicContact CB-CD1 4.11Å; I184-I190 HydrophobicContact CG1-CD1 3.42Å; I184-I190 VanDerWaalsContact CG1-CD1 3.42Å; H187-I190 HydrophobicContact CB-CG1 4.36Å; I190-L192 HydrophobicContact CG2-CB 4.48Å; I190-V230 CarbonylContact C-O 3.56Å; I190-V230 WeakPolarHBondContact CA-O 3.45Å; I190-V230 HydrophobicContact CB-CG1 4Å; I190-V230 HydrophobicContact CG1-CG1 3.54Å; I190-V230 HydrophobicContact CG2-CG1 4.04Å; I190-S232 WeakPolarHBondContact CG2-OG 3.33Å; I190-L253 CarbonylContact O-C 3.6Å; I190-L253 WeakPolarHBondContact O-CA 3.14Å; I190-I254 HydrophobicContact CB-CB 4.16Å; I190-I254 HydrophobicContact CD1-CB 4.34Å; I190-I254 HydrophobicContact CD1-CG2 4.46Å; I190-I254 PolarHBondContact N-O 2.59Å; I190-I254 PolarHBondContact O-N 3.1Å
191	A	82.8	Confident	77.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	98	171.3	0	0	0	0	0	108.2	F209 V230 F231 S232 L251 L253 L280	A191-F209 HydrophobicContact CB-CE2 4.32Å; A191-F209 HydrophobicContact CB-CZ 4.45Å; A191-V230 PolarHBondContact N-O 2.79Å; A191-F231 HydrophobicContact CB-CD1 3.57Å; A191-F231 HydrophobicContact CB-CE1 3.78Å; A191-F231 HydrophobicContact CB-CG 4.08Å; A191-F231 HydrophobicContact CB-CZ 4.45Å; A191-F231 WeakPolarHBondContact O-CA 3.37Å; A191-S232 PolarHBondContact O-N 3.02Å; A191-S232 PolarHBondContact O-OG 3.25Å; A191-L251 HydrophobicContact CB-CD1 4.05Å; A191-L253 HydrophobicContact CB-CD2 3.8Å; A191-L280 HydrophobicContact CB-CD2 4.49Å
192	L	84.6	Confident	77.1	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.9	-178.9	175.8	54.5	0	0	0	110.9	I174 L180 I190 T234 Y240 F244 T252 I254	I174-L192 HydrophobicContact CD1-CD1 3.51Å; I174-L192 HydrophobicContact CD1-CD2 4.48Å; L180-L192 HydrophobicContact CD1-CD2 4.37Å; I190-L192 HydrophobicContact CG2-CB 4.48Å; L192-T234 HydrophobicContact CD1-CG2 4.17Å; L192-Y240 HydrophobicContact CD2-CD2 4.25Å; L192-Y240 HydrophobicContact CD2-CE2 4.29Å; L192-Y240 HydrophobicContact CG-CD2 4.42Å; L192-Y240 HydrophobicContact CG-CE2 4.23Å; L192-F244 HydrophobicContact CD2-CD2 4.47Å; L192-F244 HydrophobicContact CD2-CE2 3.57Å; L192-F244 HydrophobicContact CD2-CZ 3.99Å; L192-T252 PolarHBondContact N-O 2.99Å; L192-T252 PolarHBondContact O-N 2.87Å; L192-I254 HydrophobicContact CD2-CD1 4.34Å
193	G	82.9	Confident	76.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	141	171.7	0	0	0	0	0	112.9	S232 V233 T234	G193-S232 PolarHBondContact N-O 2.76Å; G193-V233 WeakPolarHBondContact O-CA 3.21Å; G193-T234 PolarHBondContact O-N 3.45Å; G193-T234 VanDerWaalsContact O-N 3.16Å
194	S	80.3	Confident	76.1	Confident	15 Å²	15	50 Å²	50	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.7	169	-176.3	0	0	0	0	108.9	Y240	S194-Y240 VanDerWaalsContact CB-CD2 3.47Å
195	F	77.7	Confident	75.9	Confident	18 Å²	18	51.6 Å²	51.6	8%	0.079	25%	0.249	C	C	.	.			trans	-129.5	133.7	-171.9	-55.4	-83.4	0	0	0	110.2	F197 H205 F206 F209 V233	F195-F197 HydrophobicContact CB-CE1 4.4Å; F195-F197 HydrophobicContact CB-CE2 4.28Å; F195-F197 HydrophobicContact CB-CZ 4.1Å; F195-H205 HydrophobicContact CD1-CB 4.27Å; F195-H205 HydrophobicContact CE1-CB 4.1Å; F195-F206 HydrophobicContact CD1-CB 4.09Å; F195-F206 HydrophobicContact CD2-CB 4.4Å; F195-F206 AromaticContact CD2-CD2 3.75Å; F195-F206 HydrophobicContact CD2-CD2 3.75Å; F195-F206 HydrophobicContact CE1-CB 4.35Å; F195-F206 AromaticContact CE2-CD2 3.88Å; F195-F206 HydrophobicContact CE2-CD2 3.88Å; F195-F206 HydrophobicContact CG-CB 4.12Å; F195-F206 HydrophobicContact CG-CD2 4.28Å; F195-F209 HydrophobicContact CE1-CB 4.31Å; F195-F209 HydrophobicContact CE2-CB 4.41Å; F195-F209 AromaticContact CE2-CD1 3.73Å; F195-F209 HydrophobicContact CE2-CD1 3.73Å; F195-F209 HydrophobicContact CE2-CE1 4.24Å; F195-F209 HydrophobicContact CE2-CG 4.17Å; F195-F209 HydrophobicContact CZ-CB 3.6Å; F195-F209 AromaticContact CZ-CD1 3.7Å; F195-F209 HydrophobicContact CZ-CD1 3.7Å; F195-F209 HydrophobicContact CZ-CD2 4.38Å; F195-F209 HydrophobicContact CZ-CE1 4.46Å; F195-F209 AromaticContact CZ-CG 3.64Å; F195-F209 HydrophobicContact CZ-CG 3.64Å; F195-V233 HydrophobicContact CD2-CG1 4.18Å; F195-V233 HydrophobicContact CE2-CG2 4.14Å
196	D	72.9	Confident	75.9	Confident	54 Å²	54	53.9 Å²	53.9	29%	0.289	26%	0.258	S	S	.	.			trans	-96.3	92	173.9	174.5	14.4	0	0	0	109.6	Q198 R199 D202	D196-Q198 PolarHBondContact O-N 3.44Å; D196-Q198 VanDerWaalsContact OD1-CB 3.3Å; D196-Q198 WeakPolarHBondContact OD1-CB 3.48Å; D196-Q198 WeakPolarHBondContact OD1-CG 3.38Å; D196-Q198 PolarHBondContact OD1-N 2.89Å; D196-Q198 VanDerWaalsContact OD1-N 3.16Å; D196-R199 PolarHBondContact O-N 3.41Å; D196-R199 IonicContact OD2-CZ 2.6Å; D196-R199 IonicContact OD2-NE 3.29Å; D196-R199 PolarHBondContact OD2-NE 3.37Å; D196-R199 VanDerWaalsContact OD2-NE 3.12Å; D196-R199 IonicContact OD2-NH2 3.12Å; D196-D202 WeakPolarHBondContact CA-OD2 3.37Å; D196-D202 WeakPolarHBondContact CB-OD2 3.48Å; D196-D202 PolarHBondContact N-OD2 3.29Å; D196-D202 VanDerWaalsContact O-CB 3.3Å; D196-D202 WeakPolarHBondContact O-CB 3.49Å
197	F	72.7	Confident	75.8	Confident	113 Å²	113	57.2 Å²	57.2	50%	0.496	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-4	-178	-63.1	-74.4	0	0	0	114.6	F195 R199 V203 F206	F195-F197 HydrophobicContact CB-CE1 4.4Å; F195-F197 HydrophobicContact CB-CE2 4.28Å; F195-F197 HydrophobicContact CB-CZ 4.1Å; F197-R199 PolarHBondContact O-N 2.85Å; F197-V203 HydrophobicContact CD1-CG2 4.5Å; F197-F206 HydrophobicContact CE1-CB 3.86Å; F197-F206 HydrophobicContact CE1-CD1 4Å; F197-F206 HydrophobicContact CE1-CD2 4.02Å; F197-F206 AromaticContact CE1-CG 3.68Å; F197-F206 HydrophobicContact CE1-CG 3.68Å; F197-F206 HydrophobicContact CZ-CB 4.37Å; F197-F206 HydrophobicContact CZ-CD1 4.39Å; F197-F206 AromaticContact CZ-CD2 3.73Å; F197-F206 HydrophobicContact CZ-CD2 3.73Å; F197-F206 HydrophobicContact CZ-CE2 4.07Å; F197-F206 AromaticContact CZ-CG 3.9Å; F197-F206 HydrophobicContact CZ-CG 3.9Å
198	Q	71.1	Confident	75.6	Confident	182 Å²	182	59.2 Å²	59.2	85%	0.85	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-16.9	168.3	-57.9	-174.3	-4.5	0	0	111.8	D196	D196-Q198 PolarHBondContact O-N 3.44Å; D196-Q198 VanDerWaalsContact OD1-CB 3.3Å; D196-Q198 WeakPolarHBondContact OD1-CB 3.48Å; D196-Q198 WeakPolarHBondContact OD1-CG 3.38Å; D196-Q198 PolarHBondContact OD1-N 2.89Å; D196-Q198 VanDerWaalsContact OD1-N 3.16Å
199	R	67.1	Low	75.7	Confident	119 Å²	119	57.3 Å²	57.3	45%	0.449	28%	0.277	S	S	.	.	S	Bend	trans	-104.6	127.8	178.9	-59	179.4	-170	-175.6	0.2	110.6	D196 F197 Q201 D202	D196-R199 PolarHBondContact O-N 3.41Å; D196-R199 IonicContact OD2-CZ 2.6Å; D196-R199 IonicContact OD2-NE 3.29Å; D196-R199 PolarHBondContact OD2-NE 3.37Å; D196-R199 VanDerWaalsContact OD2-NE 3.12Å; D196-R199 IonicContact OD2-NH2 3.12Å; F197-R199 PolarHBondContact O-N 2.85Å; R199-Q201 VanDerWaalsContact C-N 3.26Å; R199-Q201 PolarHBondContact O-N 3.44Å; R199-D202 HydrophobicContact CB-CB 4.38Å; R199-D202 PolarHBondContact O-N 2.75Å; R199-D202 VanDerWaalsContact O-N 3.08Å
200	T	63.3	Low	75.9	Confident	111 Å²	111	59.9 Å²	59.9	68%	0.681	29%	0.289	S	S	*	.	H	α-helix	trans	-59.8	-34.1	178.8	52.2	0	0	0	0	113.2	D202 V203 F204	T200-D202 VanDerWaalsContact C-N 3.3Å; T200-D202 PolarHBondContact O-N 3.47Å; T200-V203 WeakPolarHBondContact O-CB 3.36Å; T200-V203 PolarHBondContact O-N 3.31Å; T200-F204 WeakPolarHBondContact O-CD2 3.31Å
201	Q	65.4	Low	75.8	Confident	137 Å²	137	61.9 Å²	61.9	64%	0.64	30%	0.298	S	S	*	.	H	α-helix	trans	-61.8	-37.5	176.3	-71.1	178.4	-11.6	0	0	112.2	R199 V203 F204 H205	R199-Q201 VanDerWaalsContact C-N 3.26Å; R199-Q201 PolarHBondContact O-N 3.44Å; Q201-V203 VanDerWaalsContact C-N 3.28Å; Q201-V203 PolarHBondContact O-N 2.9Å; Q201-F204 PolarHBondContact O-N 2.92Å; Q201-H205 PolarHBondContact O-CD2 3.41Å; Q201-H205 PolarHBondContact O-N 2.83Å
202	D	70.1	Confident	75.6	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.043	30%	0.298	C	S	.	.	H	α-helix	trans	-72.4	-24.4	-178.1	-71.5	3.6	0	0	0	112	D196 R199 T200 H205 F206	D196-D202 WeakPolarHBondContact CA-OD2 3.37Å; D196-D202 WeakPolarHBondContact CB-OD2 3.48Å; D196-D202 PolarHBondContact N-OD2 3.29Å; D196-D202 VanDerWaalsContact O-CB 3.3Å; D196-D202 WeakPolarHBondContact O-CB 3.49Å; R199-D202 HydrophobicContact CB-CB 4.38Å; R199-D202 PolarHBondContact O-N 2.75Å; R199-D202 VanDerWaalsContact O-N 3.08Å; T200-D202 VanDerWaalsContact C-N 3.3Å; T200-D202 PolarHBondContact O-N 3.47Å; D202-H205 PolarHBondContact O-N 3.21Å; D202-H205 IonicContact OD1-CD2 3.57Å; D202-F206 VanDerWaalsContact O-CB 3.31Å; D202-F206 WeakPolarHBondContact O-CB 3.31Å; D202-F206 PolarHBondContact O-N 3.45Å
203	V	73.1	Confident	75.4	Confident	74 Å²	74	61.8 Å²	61.8	45%	0.448	30%	0.297	S	S	.	.	H	α-helix	trans	-63.2	-45.4	170.2	-177.8	0	0	0	0	110.6	F197 T200 Q201 F206 D207	F197-V203 HydrophobicContact CD1-CG2 4.5Å; T200-V203 WeakPolarHBondContact O-CB 3.36Å; T200-V203 PolarHBondContact O-N 3.31Å; Q201-V203 VanDerWaalsContact C-N 3.28Å; Q201-V203 PolarHBondContact O-N 2.9Å; V203-F206 PolarHBondContact O-N 3.45Å; V203-D207 PolarHBondContact O-N 3.42Å
204	F	74.2	Confident	75.3	Confident	138 Å²	138	62 Å²	62	61%	0.605	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-43.4	175.3	-71.1	-73.8	0	0	0	111.3	T200 Q201 F206 D207 H208	T200-F204 WeakPolarHBondContact O-CD2 3.31Å; Q201-F204 PolarHBondContact O-N 2.92Å; F204-F206 VanDerWaalsContact C-N 3.32Å; F204-F206 PolarHBondContact O-N 3.3Å; F204-D207 PolarHBondContact O-N 2.92Å; F204-H208 PolarHBondContact O-N 3.35Å; F204-H208 VanDerWaalsContact O-N 3.08Å; F204-H208 PolarHBondContact O-ND1 3.12Å
205	H	75.5	Confident	75.1	Confident	38 Å²	38	62.7 Å²	62.7	18%	0.176	30%	0.303	C	S	.	.	H	α-helix	trans	-63.1	-38	177.8	-66.3	-49.9	0	0	0	112.8	F195 Q201 D202 H208 F209 V265	F195-H205 HydrophobicContact CD1-CB 4.27Å; F195-H205 HydrophobicContact CE1-CB 4.1Å; Q201-H205 PolarHBondContact O-CD2 3.41Å; Q201-H205 PolarHBondContact O-N 2.83Å; D202-H205 PolarHBondContact O-N 3.21Å; D202-H205 IonicContact OD1-CD2 3.57Å; H205-H208 PolarHBondContact O-N 2.89Å; H205-F209 WeakPolarHBondContact O-CB 3.39Å; H205-F209 PolarHBondContact O-N 3.4Å; H205-V265 HydrophobicContact CB-CG1 3.82Å
206	F	80.3	Confident	74.8	Confident	58 Å²	58	62 Å²	62	25%	0.254	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-44.2	174	174.6	-98.9	0	0	0	112	L171 F195 F197 D202 V203 F204 H208 F209 H210 V233	L171-F206 HydrophobicContact CD1-CE2 3.78Å; L171-F206 HydrophobicContact CD1-CZ 3.99Å; F195-F206 HydrophobicContact CD1-CB 4.09Å; F195-F206 HydrophobicContact CD2-CB 4.4Å; F195-F206 AromaticContact CD2-CD2 3.75Å; F195-F206 HydrophobicContact CD2-CD2 3.75Å; F195-F206 HydrophobicContact CE1-CB 4.35Å; F195-F206 AromaticContact CE2-CD2 3.88Å; F195-F206 HydrophobicContact CE2-CD2 3.88Å; F195-F206 HydrophobicContact CG-CB 4.12Å; F195-F206 HydrophobicContact CG-CD2 4.28Å; F197-F206 HydrophobicContact CE1-CB 3.86Å; F197-F206 HydrophobicContact CE1-CD1 4Å; F197-F206 HydrophobicContact CE1-CD2 4.02Å; F197-F206 AromaticContact CE1-CG 3.68Å; F197-F206 HydrophobicContact CE1-CG 3.68Å; F197-F206 HydrophobicContact CZ-CB 4.37Å; F197-F206 HydrophobicContact CZ-CD1 4.39Å; F197-F206 AromaticContact CZ-CD2 3.73Å; F197-F206 HydrophobicContact CZ-CD2 3.73Å; F197-F206 HydrophobicContact CZ-CE2 4.07Å; F197-F206 AromaticContact CZ-CG 3.9Å; F197-F206 HydrophobicContact CZ-CG 3.9Å; D202-F206 VanDerWaalsContact O-CB 3.31Å; D202-F206 WeakPolarHBondContact O-CB 3.31Å; D202-F206 PolarHBondContact O-N 3.45Å; V203-F206 PolarHBondContact O-N 3.45Å; F204-F206 VanDerWaalsContact C-N 3.32Å; F204-F206 PolarHBondContact O-N 3.3Å; F206-H208 PolarHBondContact O-N 3.4Å; F206-F209 PolarHBondContact O-N 3.26Å; F206-H210 WeakPolarHBondContact O-CB 3.46Å; F206-H210 PolarHBondContact O-N 2.97Å; F206-V233 HydrophobicContact CE2-CG2 4.26Å
207	D	78.7	Confident	74.4	Confident	75 Å²	75	59.5 Å²	59.5	40%	0.401	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-44.1	177.5	-175.4	44.9	0	0	0	111.7	V203 F204 F209 H210 Q211	V203-D207 PolarHBondContact O-N 3.42Å; F204-D207 PolarHBondContact O-N 2.92Å; D207-F209 PolarHBondContact O-N 2.98Å; D207-H210 WeakPolarHBondContact O-CB 3.32Å; D207-H210 PolarHBondContact O-N 3.39Å; D207-Q211 VanDerWaalsContact O-CG 3.32Å; D207-Q211 WeakPolarHBondContact O-CG 3.49Å; D207-Q211 PolarHBondContact O-N 3.46Å; D207-Q211 PolarHBondContact OD2-NE2 2.93Å; D207-Q211 VanDerWaalsContact OD2-NE2 3.07Å
208	H	77.2	Confident	73.7	Confident	54 Å²	54	54.8 Å²	54.8	25%	0.25	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-43.8	174.6	-70.5	83.1	0	0	0	111.7	F204 H205 F206 H210 Q211 V212	F204-H208 PolarHBondContact O-N 3.35Å; F204-H208 VanDerWaalsContact O-N 3.08Å; F204-H208 PolarHBondContact O-ND1 3.12Å; H205-H208 PolarHBondContact O-N 2.89Å; F206-H208 PolarHBondContact O-N 3.4Å; H208-H210 VanDerWaalsContact C-N 3.33Å; H208-H210 PolarHBondContact O-N 2.99Å; H208-Q211 PolarHBondContact O-N 3.44Å; H208-V212 VanDerWaalsContact O-CG2 3.32Å; H208-V212 WeakPolarHBondContact O-CG2 3.39Å; H208-V212 PolarHBondContact O-N 3.46Å
209	F	80	Confident	73	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-41.5	176.5	-179.6	-108.8	0	0	0	112.3	L171 A191 F195 H205 F206 D207 V212 S213 F231 V233 L251	L171-F209 HydrophobicContact CD1-CD1 4.48Å; L171-F209 HydrophobicContact CD2-CD1 4.04Å; L171-F209 HydrophobicContact CD2-CE1 3.58Å; L171-F209 HydrophobicContact CD2-CZ 4.39Å; A191-F209 HydrophobicContact CB-CE2 4.32Å; A191-F209 HydrophobicContact CB-CZ 4.45Å; F195-F209 HydrophobicContact CE1-CB 4.31Å; F195-F209 HydrophobicContact CE2-CB 4.41Å; F195-F209 AromaticContact CE2-CD1 3.73Å; F195-F209 HydrophobicContact CE2-CD1 3.73Å; F195-F209 HydrophobicContact CE2-CE1 4.24Å; F195-F209 HydrophobicContact CE2-CG 4.17Å; F195-F209 HydrophobicContact CZ-CB 3.6Å; F195-F209 AromaticContact CZ-CD1 3.7Å; F195-F209 HydrophobicContact CZ-CD1 3.7Å; F195-F209 HydrophobicContact CZ-CD2 4.38Å; F195-F209 HydrophobicContact CZ-CE1 4.46Å; F195-F209 AromaticContact CZ-CG 3.64Å; F195-F209 HydrophobicContact CZ-CG 3.64Å; H205-F209 WeakPolarHBondContact O-CB 3.39Å; H205-F209 PolarHBondContact O-N 3.4Å; F206-F209 PolarHBondContact O-N 3.26Å; D207-F209 PolarHBondContact O-N 2.98Å; F209-V212 PolarHBondContact O-N 3.07Å; F209-S213 WeakPolarHBondContact O-CB 3.3Å; F209-S213 PolarHBondContact O-N 3.42Å; F209-F231 HydrophobicContact CD2-CD1 4.42Å; F209-F231 HydrophobicContact CE1-CD1 4.48Å; F209-F231 AromaticContact CE2-CD1 3.62Å; F209-F231 HydrophobicContact CE2-CD1 3.62Å; F209-F231 HydrophobicContact CE2-CE1 4.13Å; F209-F231 HydrophobicContact CZ-CB 4.27Å; F209-F231 AromaticContact CZ-CD1 3.68Å; F209-F231 HydrophobicContact CZ-CD1 3.68Å; F209-F231 HydrophobicContact CZ-CG 4.48Å; F209-V233 HydrophobicContact CD1-CG2 4.21Å; F209-V233 HydrophobicContact CE1-CG2 3.72Å; F209-L251 HydrophobicContact CD2-CD1 4.17Å; F209-L251 HydrophobicContact CE2-CD1 3.41Å; F209-L251 VanDerWaalsContact CE2-CD1 3.41Å; F209-L251 HydrophobicContact CE2-CD2 4.39Å; F209-L251 HydrophobicContact CE2-CG 4.49Å; F209-L251 HydrophobicContact CZ-CD1 4.1Å
210	H	83	Confident	72.2	Confident	55 Å²	55	46.6 Å²	46.6	26%	0.255	23%	0.23	S	C	.	.	H	α-helix	trans	-60.4	-47.5	173.4	178.2	-95.8	0	0	0	111	P170 F206 D207 H208 V212 S213 V214	P170-H210 VanDerWaalsContact CG-NE2 3.35Å; P170-H210 WeakPolarHBondContact CG-NE2 3.44Å; F206-H210 WeakPolarHBondContact O-CB 3.46Å; F206-H210 PolarHBondContact O-N 2.97Å; D207-H210 WeakPolarHBondContact O-CB 3.32Å; D207-H210 PolarHBondContact O-N 3.39Å; H208-H210 VanDerWaalsContact C-N 3.33Å; H208-H210 PolarHBondContact O-N 2.99Å; H210-V212 PolarHBondContact O-N 3.35Å; H210-S213 WeakPolarHBondContact O-CB 3.49Å; H210-S213 PolarHBondContact O-N 3.14Å; H210-S213 VanDerWaalsContact O-N 3.09Å; H210-S213 PolarHBondContact O-OG 3.1Å; H210-V214 WeakPolarHBondContact O-CG2 3.44Å; H210-V214 PolarHBondContact O-N 2.83Å; H210-V214 VanDerWaalsContact O-N 3.13Å
211	Q	78.8	Confident	71.4	Confident	43 Å²	43	45.9 Å²	45.9	20%	0.201	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-41.2	176.1	-69.6	176.5	16.6	0	0	112.9	D207 H208 S213 V214 T215	D207-Q211 VanDerWaalsContact O-CG 3.32Å; D207-Q211 WeakPolarHBondContact O-CG 3.49Å; D207-Q211 PolarHBondContact O-N 3.46Å; D207-Q211 PolarHBondContact OD2-NE2 2.93Å; D207-Q211 VanDerWaalsContact OD2-NE2 3.07Å; H208-Q211 PolarHBondContact O-N 3.44Å; Q211-S213 VanDerWaalsContact C-N 3.32Å; Q211-S213 PolarHBondContact O-N 3.1Å; Q211-V214 PolarHBondContact O-N 3.28Å; Q211-T215 WeakPolarHBondContact O-CG2 2.97Å; Q211-T215 PolarHBondContact O-N 3.35Å; Q211-T215 PolarHBondContact O-OG1 3.05Å
212	V	78	Confident	70.3	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-60.7	-44	173	178.3	0	0	0	0	110.7	H208 F209 H210 V214 T215 T216 F231 L273 L276	H208-V212 VanDerWaalsContact O-CG2 3.32Å; H208-V212 WeakPolarHBondContact O-CG2 3.39Å; H208-V212 PolarHBondContact O-N 3.46Å; F209-V212 PolarHBondContact O-N 3.07Å; H210-V212 PolarHBondContact O-N 3.35Å; V212-V214 PolarHBondContact O-N 3.42Å; V212-T215 PolarHBondContact O-N 3.24Å; V212-T215 PolarHBondContact O-OG1 3.44Å; V212-T216 WeakPolarHBondContact CG1-OG1 3.38Å; V212-T216 VanDerWaalsContact O-CB 3.31Å; V212-T216 WeakPolarHBondContact O-CB 3.24Å; V212-T216 PolarHBondContact O-N 2.92Å; V212-T216 PolarHBondContact O-OG1 3.26Å; V212-F231 HydrophobicContact CB-CE1 4.46Å; V212-F231 HydrophobicContact CG1-CE1 3.82Å; V212-F231 HydrophobicContact CG1-CZ 3.91Å; V212-L273 HydrophobicContact CB-CD2 4.27Å; V212-L273 HydrophobicContact CG2-CB 4.27Å; V212-L273 HydrophobicContact CG2-CD2 3.26Å; V212-L273 HydrophobicContact CG2-CG 3.48Å; V212-L273 VanDerWaalsContact CG2-CG 3.48Å; V212-L276 HydrophobicContact CB-CD2 4.42Å; V212-L276 HydrophobicContact CG1-CD2 3.7Å; V212-L276 HydrophobicContact CG1-CG 4.34Å; V212-L276 HydrophobicContact CG2-CD2 4.25Å
213	S	81.9	Confident	69.1	Low	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-36.5	-175.7	77.6	0	0	0	0	111.9	F166 P170 F209 H210 Q211	F166-S213 WeakPolarHBondContact CZ-O 3.4Å; P170-S213 WeakPolarHBondContact CB-OG 3.24Å; P170-S213 VanDerWaalsContact CG-OG 3.3Å; P170-S213 WeakPolarHBondContact CG-OG 3.33Å; F209-S213 WeakPolarHBondContact O-CB 3.3Å; F209-S213 PolarHBondContact O-N 3.42Å; H210-S213 WeakPolarHBondContact O-CB 3.49Å; H210-S213 PolarHBondContact O-N 3.14Å; H210-S213 VanDerWaalsContact O-N 3.09Å; H210-S213 PolarHBondContact O-OG 3.1Å; Q211-S213 VanDerWaalsContact C-N 3.32Å; Q211-S213 PolarHBondContact O-N 3.1Å
214	V	80.5	Confident	68.1	Low	4 Å²	4	40.4 Å²	40.4	2%	0.024	19%	0.192	C	C	.	.	H	α-helix	trans	-72.4	-54	175.1	179.6	0	0	0	0	109.9	T143 I149 I167 P170 H210 Q211 V212 Y218	T143-V214 HydrophobicContact CG2-CG1 3.88Å; I149-V214 HydrophobicContact CD1-CB 4.5Å; I149-V214 HydrophobicContact CD1-CG1 3.36Å; I167-V214 HydrophobicContact CG1-CG1 4.28Å; I167-V214 HydrophobicContact CG2-CG1 4.43Å; P170-V214 HydrophobicContact CB-CG2 3.83Å; P170-V214 HydrophobicContact CG-CG2 3.58Å; H210-V214 WeakPolarHBondContact O-CG2 3.44Å; H210-V214 PolarHBondContact O-N 2.83Å; H210-V214 VanDerWaalsContact O-N 3.13Å; Q211-V214 PolarHBondContact O-N 3.28Å; V212-V214 PolarHBondContact O-N 3.42Å; V214-Y218 HydrophobicContact CG1-CE2 4.48Å; V214-Y218 WeakPolarHBondContact O-CD2 3.25Å; V214-Y218 WeakPolarHBondContact O-CE2 3.34Å
215	T	75.1	Confident	66.7	Low	31 Å²	31	35 Å²	35	19%	0.19	17%	0.169	C	C	.	.	H	α-helix	trans	-71.3	-34.4	-171	54.9	0	0	0	0	115	T147 I149 Q211 V212 Y218	T147-T215 HydrophobicContact CG2-CG2 4.4Å; I149-T215 HydrophobicContact CD1-CG2 4.27Å; I149-T215 HydrophobicContact CG1-CG2 4.28Å; Q211-T215 WeakPolarHBondContact O-CG2 2.97Å; Q211-T215 PolarHBondContact O-N 3.35Å; Q211-T215 PolarHBondContact O-OG1 3.05Å; V212-T215 PolarHBondContact O-N 3.24Å; V212-T215 PolarHBondContact O-OG1 3.44Å; T215-Y218 PolarHBondContact O-N 2.85Å
216	T	71.9	Confident	65.5	Low	2 Å²	2	34.5 Å²	34.5	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-68	-39.4	-174.9	-55.7	0	0	0	0	112.3	V212 Y218 K219 F231 L280 F281	V212-T216 WeakPolarHBondContact CG1-OG1 3.38Å; V212-T216 VanDerWaalsContact O-CB 3.31Å; V212-T216 WeakPolarHBondContact O-CB 3.24Å; V212-T216 PolarHBondContact O-N 2.92Å; V212-T216 PolarHBondContact O-OG1 3.26Å; T216-Y218 PolarHBondContact O-N 3.04Å; T216-K219 PolarHBondContact O-N 2.96Å; T216-F231 HydrophobicContact CG2-CZ 4.33Å; T216-L280 HydrophobicContact CG2-CD1 3.99Å; T216-F281 HydrophobicContact CG2-CE2 4.4Å; T216-F281 HydrophobicContact CG2-CZ 4.39Å
217	K	64.2	Low	64.8	Low	2 Å²	2	32.2 Å²	32.2	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-18.1	-176.9	-67.1	-159.5	-158.5	167.9	0	114.2	F166 E220 N226 I229 F231	F166-K217 HydrophobicContact CD2-CD 4.47Å; F166-K217 HydrophobicContact CE1-CB 4.03Å; F166-K217 HydrophobicContact CE1-CD 4.05Å; F166-K217 HydrophobicContact CE1-CG 4.31Å; F166-K217 HydrophobicContact CE2-CD 3.58Å; F166-K217 HydrophobicContact CZ-CB 4.08Å; F166-K217 HydrophobicContact CZ-CD 3.3Å; F166-K217 VanDerWaalsContact CZ-CE 3.47Å; F166-K217 HydrophobicContact CZ-CG 3.84Å; K217-E220 WeakPolarHBondContact O-CB 3.33Å; K217-N226 HydrophobicContact CD-CB 4.45Å; K217-N226 PolarHBondContact NZ-OD1 3.35Å; K217-I229 VanDerWaalsContact CE-O 3.27Å; K217-I229 WeakPolarHBondContact CE-O 3.4Å; K217-F231 HydrophobicContact CG-CE2 4.43Å
218	Y	57.8	Low	64.5	Low	14 Å²	14	28.8 Å²	28.8	6%	0.055	14%	0.139	C	C	.	.	H	α-helix	trans	-97.5	-12.3	-179.2	-67.1	-74.4	0	0	0	114.8	I149 L163 F166 I167 V214 T215 T216 E220 M225	I149-Y218 HydrophobicContact CB-CD2 4.46Å; I149-Y218 HydrophobicContact CD1-CD2 3.7Å; I149-Y218 HydrophobicContact CD1-CE2 4.09Å; I149-Y218 HydrophobicContact CG1-CD2 4.2Å; I149-Y218 HydrophobicContact CG2-CD1 3.9Å; I149-Y218 HydrophobicContact CG2-CD2 3.52Å; I149-Y218 HydrophobicContact CG2-CE2 4.26Å; I149-Y218 HydrophobicContact CG2-CG 3.31Å; L163-Y218 HydrophobicContact CD1-CD1 4.23Å; L163-Y218 HydrophobicContact CD1-CE1 3.21Å; L163-Y218 HydrophobicContact CD1-CE2 4.41Å; L163-Y218 WeakPolarHBondContact CD1-OH 3.48Å; L163-Y218 PolarHBondContact O-OH 2.81Å; F166-Y218 AromaticContact CD1-CE2 3.57Å; F166-Y218 HydrophobicContact CD1-CE2 3.57Å; F166-Y218 AromaticContact CD1-CZ 3.63Å; F166-Y218 WeakPolarHBondContact CD1-OH 3.26Å; F166-Y218 AromaticContact CE1-CE2 3.7Å; F166-Y218 HydrophobicContact CE1-CE2 3.7Å; I167-Y218 HydrophobicContact CG1-CE2 4.25Å; V214-Y218 HydrophobicContact CG1-CE2 4.48Å; V214-Y218 WeakPolarHBondContact O-CD2 3.25Å; V214-Y218 WeakPolarHBondContact O-CE2 3.34Å; T215-Y218 PolarHBondContact O-N 2.85Å; T216-Y218 PolarHBondContact O-N 3.04Å; Y218-E220 PolarHBondContact O-N 3.46Å; Y218-M225 HydrophobicContact CD1-CE 3.67Å; Y218-M225 HydrophobicContact CD1-SD 3.95Å; Y218-M225 HydrophobicContact CE1-CE 3.3Å; Y218-M225 HydrophobicContact CE1-CG 4.37Å; Y218-M225 HydrophobicContact CE1-SD 3.3Å; Y218-M225 WeakPolarHBondContact CE1-SD 3.27Å
219	K	56.1	Low	64.6	Low	118 Å²	118	26.3 Å²	26.3	51%	0.513	13%	0.127	S	C	.	.	H	α-helix	trans	-67.9	-21.3	162.9	-73.5	-176.9	-177.8	175.2	0	110.9	T216 F281	T216-K219 PolarHBondContact O-N 2.96Å; K219-F281 HydrophobicContact CB-CE2 4.16Å; K219-F281 HydrophobicContact CB-CZ 3.76Å; K219-F281 HydrophobicContact CD-CE2 4.32Å
220	E	50.6	Low	64.8	Low	12 Å²	12	26.1 Å²	26.1	6%	0.056	13%	0.127	C	C	.	.	S	Bend	trans	-70.9	151.7	168.9	-69.5	-169	140	0	0	112	K217 Y218 P222 F281 Q284	K217-E220 WeakPolarHBondContact O-CB 3.33Å; Y218-E220 PolarHBondContact O-N 3.46Å; E220-P222 VanDerWaalsContact O-CD 3.31Å; E220-P222 WeakPolarHBondContact O-CD 3.41Å; E220-P222 VanDerWaalsContact O-N 3.14Å; E220-F281 HydrophobicContact CG-CE1 3.76Å; E220-F281 HydrophobicContact CG-CZ 4.34Å; E220-Q284 PolarHBondContact OE1-NE2 2.91Å
221	V	46.7	Very low	65.1	Low	95 Å²	95	23.5 Å²	23.5	58%	0.576	12%	0.115	S	C	*	.			trans	-55.6	117.7	168.1	178.7	0	0	0	0	108.3	L223 R224 L300	V221-L223 VanDerWaalsContact C-N 3.32Å; V221-L223 PolarHBondContact O-N 2.86Å; V221-R224 WeakPolarHBondContact O-CA 3.42Å; V221-R224 VanDerWaalsContact O-CB 3.31Å; V221-R224 WeakPolarHBondContact O-CB 3.37Å; V221-R224 PolarHBondContact O-N 2.85Å; V221-L300 HydrophobicContact CG1-CD1 3.63Å
222	P	43.7	Very low	65.5	Low	6 Å²	6	21.4 Å²	21.4	4%	0.039	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.9	-155.6	13.7	-27.3	0	0	0	118.8	S152 E220 M225 L300	S152-P222 WeakPolarHBondContact O-CG 3.38Å; S152-P222 WeakPolarHBondContact OG-CD 3.47Å; S152-P222 WeakPolarHBondContact OG-CG 3.37Å; E220-P222 VanDerWaalsContact O-CD 3.31Å; E220-P222 WeakPolarHBondContact O-CD 3.41Å; E220-P222 VanDerWaalsContact O-N 3.14Å; P222-M225 HydrophobicContact CB-CE 3.29Å; P222-M225 HydrophobicContact CB-CG 4.43Å; P222-M225 WeakPolarHBondContact O-CB 3.42Å; P222-M225 VanDerWaalsContact O-CE 3.32Å; P222-M225 WeakPolarHBondContact O-CE 3.27Å; P222-M225 WeakPolarHBondContact O-CG 3.24Å; P222-M225 PolarHBondContact O-N 2.96Å; P222-L300 HydrophobicContact CG-CD1 4.11Å
223	L	45	Very low	66	Low	12 Å²	12	21.9 Å²	21.9	6%	0.063	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-15.2	165.2	-69	-176.4	0	0	0	113.4	P154 H159 V221 M225 T298 L300 L566	P154-L223 HydrophobicContact CG-CD2 4.3Å; H159-L223 WeakPolarHBondContact NE2-CD2 3.45Å; V221-L223 VanDerWaalsContact C-N 3.32Å; V221-L223 PolarHBondContact O-N 2.86Å; L223-M225 PolarHBondContact O-N 2.92Å; L223-T298 HydrophobicContact CD1-CG2 4.28Å; L223-L300 HydrophobicContact CB-CD1 4.12Å; L223-L300 HydrophobicContact CB-CD2 4.4Å; L223-L300 HydrophobicContact CB-CG 4.22Å; L223-L300 HydrophobicContact CD1-CD1 4.31Å; L223-L300 HydrophobicContact CD1-CD2 3.4Å; L223-L300 HydrophobicContact CD1-CG 3.51Å; L223-L300 HydrophobicContact CD2-CD2 3.8Å; L223-L300 HydrophobicContact CG-CD1 3.79Å; L223-L300 HydrophobicContact CG-CD2 3.24Å; L223-L300 HydrophobicContact CG-CG 3.47Å; L223-L300 VanDerWaalsContact CG-CG 3.47Å; L223-L566 HydrophobicContact CD1-CD1 4.01Å
224	R	51.4	Low	66.1	Low	87 Å²	87	22.2 Å²	22.2	33%	0.328	11%	0.11	S	C	.	.	S	Bend	trans	-76.2	-7.2	167	-67.2	-173.2	164.3	-170.9	-3.7	112.2	V221 N226 K227	V221-R224 WeakPolarHBondContact O-CA 3.42Å; V221-R224 VanDerWaalsContact O-CB 3.31Å; V221-R224 WeakPolarHBondContact O-CB 3.37Å; V221-R224 PolarHBondContact O-N 2.85Å; R224-N226 PolarHBondContact O-N 2.87Å; R224-K227 PolarHBondContact O-N 2.86Å
225	M	45.1	Very low	65.6	Low	23 Å²	23	26.8 Å²	26.8	11%	0.113	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.8	126.2	175.5	-91.4	-166.1	-124.7	0	0	109.8	Y151 Y218 P222 L223 K227	Y151-M225 HydrophobicContact CD2-CE 4.06Å; Y151-M225 HydrophobicContact CE2-CE 3.68Å; Y218-M225 HydrophobicContact CD1-CE 3.67Å; Y218-M225 HydrophobicContact CD1-SD 3.95Å; Y218-M225 HydrophobicContact CE1-CE 3.3Å; Y218-M225 HydrophobicContact CE1-CG 4.37Å; Y218-M225 HydrophobicContact CE1-SD 3.3Å; Y218-M225 WeakPolarHBondContact CE1-SD 3.27Å; P222-M225 HydrophobicContact CB-CE 3.29Å; P222-M225 HydrophobicContact CB-CG 4.43Å; P222-M225 WeakPolarHBondContact O-CB 3.42Å; P222-M225 VanDerWaalsContact O-CE 3.32Å; P222-M225 WeakPolarHBondContact O-CE 3.27Å; P222-M225 WeakPolarHBondContact O-CG 3.24Å; P222-M225 PolarHBondContact O-N 2.96Å; L223-M225 PolarHBondContact O-N 2.92Å; M225-K227 PolarHBondContact O-N 2.85Å
226	N	50.8	Low	65.4	Low	28 Å²	28	27.1 Å²	27.1	15%	0.15	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-14.5	167.7	-138.2	3.6	0	0	0	115.9	H187 K217 R224	H187-N226 PolarHBondContact CD2-O 3.12Å; H187-N226 VanDerWaalsContact CD2-O 3.23Å; H187-N226 PolarHBondContact NE2-O 3.44Å; K217-N226 HydrophobicContact CD-CB 4.45Å; K217-N226 PolarHBondContact NZ-OD1 3.35Å; R224-N226 PolarHBondContact O-N 2.87Å
227	K	64	Low	65.2	Low	10 Å²	10	29.7 Å²	29.7	4%	0.043	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-39.3	-176.1	-67.1	-173.4	-179.5	177.9	0	111.5	H187 R224 M225 N293 M325 A328	H187-K227 PolarHBondContact CD2-O 3.31Å; R224-K227 PolarHBondContact O-N 2.86Å; M225-K227 PolarHBondContact O-N 2.85Å; K227-N293 VanDerWaalsContact C-ND2 3.3Å; K227-N293 PolarHBondContact O-ND2 3.43Å; K227-M325 PolarHBondContact NZ-O 2.82Å; K227-A328 WeakPolarHBondContact CE-O 3.48Å
228	N	73.7	Confident	65.4	Low	4 Å²	4	37 Å²	37	2%	0.021	19%	0.192	C	C	.	.	S	Bend	trans	-90.4	-46.3	-176	-67.9	-36.3	0	0	0	113.3	K188 V189 Q284 N293	K188-N228 CarbonylContact C-O 3.42Å; K188-N228 WeakPolarHBondContact CA-O 3.34Å; K188-N228 HydrophobicContact CB-CB 4.18Å; K188-N228 WeakPolarHBondContact CB-O 3.22Å; K188-N228 HydrophobicContact CD-CB 4.29Å; K188-N228 VanDerWaalsContact CD-OD1 3.28Å; K188-N228 WeakPolarHBondContact CD-OD1 3.06Å; K188-N228 VanDerWaalsContact CE-OD1 3.32Å; K188-N228 WeakPolarHBondContact CE-OD1 3.09Å; K188-N228 HydrophobicContact CG-CB 4.29Å; K188-N228 WeakPolarHBondContact CG-OD1 3.3Å; K188-N228 PolarHBondContact N-O 2.82Å; V189-N228 PolarHBondContact N-O 2.75Å; N228-Q284 VanDerWaalsContact CB-NE2 3.27Å; N228-Q284 PolarHBondContact ND2-NE2 3.44Å; N228-N293 PolarHBondContact OD1-ND2 3.26Å
229	I	79.2	Confident	65.9	Low	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.4	-176.2	-54	168	0	0	0	109.5	V189 K217 F231 L280	V189-I229 HydrophobicContact CB-CG1 4.17Å; V189-I229 WeakPolarHBondContact O-CA 3.18Å; K217-I229 VanDerWaalsContact CE-O 3.27Å; K217-I229 WeakPolarHBondContact CE-O 3.4Å; I229-F231 HydrophobicContact CG2-CD2 4.25Å; I229-F231 HydrophobicContact CG2-CE2 3.82Å; I229-F231 HydrophobicContact CG2-CZ 4.45Å; I229-L280 HydrophobicContact CD1-CB 4.15Å; I229-L280 HydrophobicContact CG2-CD2 4.26Å
230	V	84	Confident	66.4	Low	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.2	171.5	64.6	0	0	0	0	110	K172 L183 H187 V189 I190 A191	K172-V230 HydrophobicContact CB-CG2 4.31Å; K172-V230 HydrophobicContact CG-CG2 3.84Å; L183-V230 HydrophobicContact CD2-CG1 4.32Å; L183-V230 HydrophobicContact CD2-CG2 4.21Å; H187-V230 HydrophobicContact CB-CB 4.34Å; H187-V230 HydrophobicContact CB-CG1 3.78Å; H187-V230 VanDerWaalsContact CG-CG1 3.48Å; V189-V230 PolarHBondContact O-N 3.33Å; I190-V230 CarbonylContact C-O 3.56Å; I190-V230 WeakPolarHBondContact CA-O 3.45Å; I190-V230 HydrophobicContact CB-CG1 4Å; I190-V230 HydrophobicContact CG1-CG1 3.54Å; I190-V230 HydrophobicContact CG2-CG1 4.04Å; A191-V230 PolarHBondContact N-O 2.79Å
231	F	87.8	Confident	67.2	Low	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.9	170.7	-71.8	-100.8	0	0	0	107.9	L171 K172 A191 F209 V212 T216 K217 I229 L280	L171-F231 WeakPolarHBondContact CA-O 3.45Å; L171-F231 HydrophobicContact CD2-CB 3.6Å; K172-F231 PolarHBondContact N-O 3.14Å; A191-F231 HydrophobicContact CB-CD1 3.57Å; A191-F231 HydrophobicContact CB-CE1 3.78Å; A191-F231 HydrophobicContact CB-CG 4.08Å; A191-F231 HydrophobicContact CB-CZ 4.45Å; A191-F231 WeakPolarHBondContact O-CA 3.37Å; F209-F231 HydrophobicContact CD2-CD1 4.42Å; F209-F231 HydrophobicContact CE1-CD1 4.48Å; F209-F231 AromaticContact CE2-CD1 3.62Å; F209-F231 HydrophobicContact CE2-CD1 3.62Å; F209-F231 HydrophobicContact CE2-CE1 4.13Å; F209-F231 HydrophobicContact CZ-CB 4.27Å; F209-F231 AromaticContact CZ-CD1 3.68Å; F209-F231 HydrophobicContact CZ-CD1 3.68Å; F209-F231 HydrophobicContact CZ-CG 4.48Å; V212-F231 HydrophobicContact CB-CE1 4.46Å; V212-F231 HydrophobicContact CG1-CE1 3.82Å; V212-F231 HydrophobicContact CG1-CZ 3.91Å; T216-F231 HydrophobicContact CG2-CZ 4.33Å; K217-F231 HydrophobicContact CG-CE2 4.43Å; I229-F231 HydrophobicContact CG2-CD2 4.25Å; I229-F231 HydrophobicContact CG2-CE2 3.82Å; I229-F231 HydrophobicContact CG2-CZ 4.45Å; F231-L280 HydrophobicContact CE1-CD1 4.15Å; F231-L280 HydrophobicContact CE2-CD1 4.43Å; F231-L280 HydrophobicContact CZ-CD1 3.57Å
232	S	88.8	Confident	68	Low	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.6	-176.4	56	0	0	0	0	112	K172 I174 I190 A191 G193	K172-S232 CarbonylContact O-C 3.55Å; K172-S232 WeakPolarHBondContact O-CA 3.28Å; K172-S232 WeakPolarHBondContact O-CB 3.32Å; I174-S232 VanDerWaalsContact CD1-OG 3.32Å; I174-S232 WeakPolarHBondContact CD1-OG 3.37Å; I190-S232 WeakPolarHBondContact CG2-OG 3.33Å; A191-S232 PolarHBondContact O-N 3.02Å; A191-S232 PolarHBondContact O-OG 3.25Å; G193-S232 PolarHBondContact N-O 2.76Å
233	V	88.8	Confident	68.9	Low	11 Å²	11	38.5 Å²	38.5	7%	0.067	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.5	177.2	178	0	0	0	0	109.2	L171 K172 T173 I174 G193 F195 F206 F209	L171-V233 HydrophobicContact CB-CG2 4.49Å; L171-V233 HydrophobicContact CD1-CG2 3.82Å; L171-V233 HydrophobicContact CD2-CG2 4.4Å; L171-V233 HydrophobicContact CG-CG2 4.45Å; K172-V233 PolarHBondContact O-N 3.2Å; T173-V233 CarbonylContact C-O 3.53Å; T173-V233 WeakPolarHBondContact CA-O 3.37Å; I174-V233 PolarHBondContact N-O 3.32Å; G193-V233 WeakPolarHBondContact O-CA 3.21Å; F195-V233 HydrophobicContact CD2-CG1 4.18Å; F195-V233 HydrophobicContact CE2-CG2 4.14Å; F206-V233 HydrophobicContact CE2-CG2 4.26Å; F209-V233 HydrophobicContact CD1-CG2 4.21Å; F209-V233 HydrophobicContact CE1-CG2 3.72Å
234	T	82.8	Confident	70	Confident	7 Å²	7	39 Å²	39	4%	0.043	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.5	170	175.9	0	0	0	0	110	L192 G193 S236 Y240	L192-T234 HydrophobicContact CD1-CG2 4.17Å; G193-T234 PolarHBondContact O-N 3.45Å; G193-T234 VanDerWaalsContact O-N 3.16Å; T234-S236 PolarHBondContact OG1-N 3.25Å; T234-S236 PolarHBondContact OG1-O 2.91Å; T234-S236 VanDerWaalsContact OG1-O 3.13Å; T234-Y240 HydrophobicContact CG2-CD2 3.91Å; T234-Y240 HydrophobicContact CG2-CG 4.37Å
235	T	70.9	Confident	70.6	Confident	99 Å²	99	36 Å²	36	61%	0.607	20%	0.198	S	C	*	.	S	Bend	trans	-89.6	-6	172.5	53.8	0	0	0	0	112.2	N175 P237	N175-T235 PolarHBondContact OD1-OG1 3.35Å; T235-P237 VanDerWaalsContact O-CD 3.29Å; T235-P237 WeakPolarHBondContact O-CD 3.36Å
236	S	71.1	Confident	71.3	Confident	38 Å²	38	43.4 Å²	43.4	27%	0.266	23%	0.232	S	C	.	.			trans	-106.8	100.7	177.9	179.2	0	0	0	0	110	T234 H238 L239 Y240	T234-S236 PolarHBondContact OG1-N 3.25Å; T234-S236 PolarHBondContact OG1-O 2.91Å; T234-S236 VanDerWaalsContact OG1-O 3.13Å; S236-H238 PolarHBondContact O-N 3.01Å; S236-L239 PolarHBondContact O-N 2.87Å; S236-L239 PolarHBondContact OG-N 3.45Å; S236-Y240 PolarHBondContact O-N 3.43Å
237	P	66.8	Low	71.3	Confident	57 Å²	57	46.3 Å²	46.3	37%	0.37	25%	0.247	S	C	.	.	H	α-helix	trans	-56.5	-33.9	171.6	-24.9	33.6	0	0	0	111.6	T235 Y240 H241	T235-P237 VanDerWaalsContact O-CD 3.29Å; T235-P237 WeakPolarHBondContact O-CD 3.36Å; P237-Y240 WeakPolarHBondContact O-CB 3.41Å; P237-Y240 PolarHBondContact O-N 2.94Å; P237-H241 WeakPolarHBondContact O-CB 3.42Å; P237-H241 PolarHBondContact O-CD2 2.94Å; P237-H241 VanDerWaalsContact O-CG 3.28Å; P237-H241 PolarHBondContact O-N 3.41Å
238	H	69	Low	70.9	Confident	155 Å²	155	52.8 Å²	52.8	72%	0.718	28%	0.275	S	S	*	.	H	α-helix	trans	-61.6	-46.6	178.1	-66	-58.1	0	0	0	112.8	S236 Y240 H241 L242	S236-H238 PolarHBondContact O-N 3.01Å; H238-Y240 PolarHBondContact O-N 3.11Å; H238-H241 PolarHBondContact O-N 3.25Å; H238-L242 VanDerWaalsContact O-CB 3.25Å; H238-L242 WeakPolarHBondContact O-CB 3.41Å; H238-L242 PolarHBondContact O-N 2.86Å
239	L	66.9	Low	69.9	Low	31 Å²	31	53.4 Å²	53.4	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-36.6	176.5	-178.6	67.6	0	0	0	111.1	I174 L177 S236 N243	I174-L239 HydrophobicContact CG2-CD2 3.85Å; L177-L239 HydrophobicContact CB-CD1 4.3Å; S236-L239 PolarHBondContact O-N 2.87Å; S236-L239 PolarHBondContact OG-N 3.45Å; L239-N243 PolarHBondContact O-ND2 2.91Å
240	Y	67.4	Low	69.2	Low	5 Å²	5	54.6 Å²	54.6	2%	0.02	29%	0.285	C	S	.	.	H	α-helix	trans	-69.5	-53.6	177.1	-168.1	-91.7	0	0	0	111.7	L192 S194 T234 S236 P237 H238 L242 N243 F244 H250 T252	L192-Y240 HydrophobicContact CD2-CD2 4.25Å; L192-Y240 HydrophobicContact CD2-CE2 4.29Å; L192-Y240 HydrophobicContact CG-CD2 4.42Å; L192-Y240 HydrophobicContact CG-CE2 4.23Å; S194-Y240 VanDerWaalsContact CB-CD2 3.47Å; T234-Y240 HydrophobicContact CG2-CD2 3.91Å; T234-Y240 HydrophobicContact CG2-CG 4.37Å; S236-Y240 PolarHBondContact O-N 3.43Å; P237-Y240 WeakPolarHBondContact O-CB 3.41Å; P237-Y240 PolarHBondContact O-N 2.94Å; H238-Y240 PolarHBondContact O-N 3.11Å; Y240-L242 VanDerWaalsContact C-N 3.32Å; Y240-L242 PolarHBondContact O-N 3.33Å; Y240-N243 PolarHBondContact O-N 2.83Å; Y240-F244 HydrophobicContact CD1-CB 4.39Å; Y240-F244 HydrophobicContact CD1-CD2 4.46Å; Y240-F244 AromaticContact CD2-CD2 3.65Å; Y240-F244 HydrophobicContact CD2-CD2 3.65Å; Y240-F244 HydrophobicContact CD2-CE2 4.17Å; Y240-F244 HydrophobicContact CE1-CB 4.09Å; Y240-F244 AromaticContact CE2-CD2 3.76Å; Y240-F244 HydrophobicContact CE2-CD2 3.76Å; Y240-F244 HydrophobicContact CE2-CE2 4.35Å; Y240-F244 HydrophobicContact CE2-CG 4.4Å; Y240-F244 HydrophobicContact CG-CD2 4.04Å; Y240-F244 WeakPolarHBondContact O-CB 3.49Å; Y240-F244 WeakPolarHBondContact O-CD2 3.5Å; Y240-F244 PolarHBondContact O-N 3.49Å; Y240-H250 WeakPolarHBondContact OH-CB 3.35Å; Y240-H250 PolarHBondContact OH-O 2.96Å; Y240-T252 PolarHBondContact OH-OG1 3.02Å
241	H	67.6	Low	68.5	Low	75 Å²	75	54.7 Å²	54.7	35%	0.347	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-37.8	-176.7	-70.5	-48.8	0	0	0	113	P237 H238 N243 G245	P237-H241 WeakPolarHBondContact O-CB 3.42Å; P237-H241 PolarHBondContact O-CD2 2.94Å; P237-H241 VanDerWaalsContact O-CG 3.28Å; P237-H241 PolarHBondContact O-N 3.41Å; H238-H241 PolarHBondContact O-N 3.25Å; H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 3.29Å; H241-G245 WeakPolarHBondContact CA-O 3.23Å; H241-G245 PolarHBondContact ND1-O 3.4Å; H241-G245 VanDerWaalsContact O-CA 3.24Å; H241-G245 WeakPolarHBondContact O-CA 3.34Å; H241-G245 PolarHBondContact O-N 2.89Å
242	L	62.4	Low	67.8	Low	140 Å²	140	54.7 Å²	54.7	73%	0.733	29%	0.285	S	S	*	.	H	α-helix	trans	-61.5	-38	177.5	-171.4	72.8	0	0	0	112	H238 Y240	H238-L242 VanDerWaalsContact O-CB 3.25Å; H238-L242 WeakPolarHBondContact O-CB 3.41Å; H238-L242 PolarHBondContact O-N 2.86Å; Y240-L242 VanDerWaalsContact C-N 3.32Å; Y240-L242 PolarHBondContact O-N 3.33Å
243	N	63.8	Low	67	Low	26 Å²	26	54.7 Å²	54.7	14%	0.139	29%	0.285	C	S	.	.	H	α-helix	trans	-95.3	-30.5	-173.4	-69.7	-49.5	0	0	0	113.5	L239 Y240 H241 F363	L239-N243 PolarHBondContact O-ND2 2.91Å; Y240-N243 PolarHBondContact O-N 2.83Å; H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 3.29Å; N243-F363 HydrophobicContact CB-CD2 4.04Å
244	F	67.9	Low	66.1	Low	21 Å²	21	54.2 Å²	54.2	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-123.2	-4.9	-171.4	-53.5	-67.2	0	0	0	114.2	L180 L192 Y240 T252 I254 T260 F363	L180-F244 HydrophobicContact CD2-CZ 4.18Å; L192-F244 HydrophobicContact CD2-CD2 4.47Å; L192-F244 HydrophobicContact CD2-CE2 3.57Å; L192-F244 HydrophobicContact CD2-CZ 3.99Å; Y240-F244 HydrophobicContact CD1-CB 4.39Å; Y240-F244 HydrophobicContact CD1-CD2 4.46Å; Y240-F244 AromaticContact CD2-CD2 3.65Å; Y240-F244 HydrophobicContact CD2-CD2 3.65Å; Y240-F244 HydrophobicContact CD2-CE2 4.17Å; Y240-F244 HydrophobicContact CE1-CB 4.09Å; Y240-F244 AromaticContact CE2-CD2 3.76Å; Y240-F244 HydrophobicContact CE2-CD2 3.76Å; Y240-F244 HydrophobicContact CE2-CE2 4.35Å; Y240-F244 HydrophobicContact CE2-CG 4.4Å; Y240-F244 HydrophobicContact CG-CD2 4.04Å; Y240-F244 WeakPolarHBondContact O-CB 3.49Å; Y240-F244 WeakPolarHBondContact O-CD2 3.5Å; Y240-F244 PolarHBondContact O-N 3.49Å; F244-T252 HydrophobicContact CD1-CG2 3.98Å; F244-T252 HydrophobicContact CE1-CG2 3.89Å; F244-T252 HydrophobicContact CZ-CG2 4.43Å; F244-I254 HydrophobicContact CE1-CD1 4.37Å; F244-I254 HydrophobicContact CZ-CD1 3.93Å; F244-T260 HydrophobicContact CE1-CG2 4.11Å; F244-F363 HydrophobicContact CE1-CB 4.34Å; F244-F363 HydrophobicContact CE1-CD2 4.35Å; F244-F363 HydrophobicContact CE1-CG 4.17Å
245	G	64.3	Low	65.3	Low	25 Å²	25	55 Å²	55	26%	0.258	29%	0.287	S	S	.	.			trans	90.6	178.2	178.2	0	0	0	0	0	115.7	H241 I247	H241-G245 WeakPolarHBondContact CA-O 3.23Å; H241-G245 PolarHBondContact ND1-O 3.4Å; H241-G245 VanDerWaalsContact O-CA 3.24Å; H241-G245 WeakPolarHBondContact O-CA 3.34Å; H241-G245 PolarHBondContact O-N 2.89Å; G245-I247 VanDerWaalsContact C-N 3.26Å; G245-I247 PolarHBondContact O-N 3.34Å; G245-I247 VanDerWaalsContact O-N 3.12Å
246	E	58.4	Low	64.7	Low	179 Å²	179	50.4 Å²	50.4	84%	0.836	26%	0.259	S	S	*	.	S	Bend	trans	-77.9	19.4	-171.3	-81.8	-168.5	158.4	0	0	116.3	K248	E246-K248 PolarHBondContact O-N 3.05Å
247	I	52.6	Low	63.9	Low	89 Å²	89	49.9 Å²	49.9	46%	0.456	26%	0.255	S	S	.	.			trans	-83.6	126.2	-166.5	-42.7	178	0	0	0	111.9	G245 H250	G245-I247 VanDerWaalsContact C-N 3.26Å; G245-I247 PolarHBondContact O-N 3.34Å; G245-I247 VanDerWaalsContact O-N 3.12Å; I247-H250 WeakPolarHBondContact CG2-CE1 3.35Å; I247-H250 VanDerWaalsContact CG2-NE2 3.34Å; I247-H250 WeakPolarHBondContact CG2-NE2 3.41Å
248	K	55.2	Low	63.2	Low	145 Å²	145	47.5 Å²	47.5	63%	0.63	24%	0.241	S	C	*	.	S	Bend	trans	-50.8	158.9	171.9	-67.7	-179.8	177	177.5	0	112	E246 H250	E246-K248 PolarHBondContact O-N 3.05Å; K248-H250 PolarHBondContact O-CE1 3.26Å; K248-H250 VanDerWaalsContact O-CE1 3.31Å; K248-H250 PolarHBondContact O-N 2.91Å; K248-H250 PolarHBondContact O-ND1 3.38Å
249	P	53.3	Low	62.8	Low	18 Å²	18	44.2 Å²	44.2	12%	0.117	23%	0.228	C	C	.	.	S	Bend	trans	-41.5	119.6	-136.5	29.3	-35.5	0	0	0	113.1	V265	P249-V265 VanDerWaalsContact O-CG2 3.27Å; P249-V265 WeakPolarHBondContact O-CG2 3.4Å
250	H	63.9	Low	62.6	Low	26 Å²	26	44 Å²	44	12%	0.12	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.2	179.7	-86.9	26.8	0	0	0	111.3	Y240 I247 K248	Y240-H250 WeakPolarHBondContact OH-CB 3.35Å; Y240-H250 PolarHBondContact OH-O 2.96Å; I247-H250 WeakPolarHBondContact CG2-CE1 3.35Å; I247-H250 VanDerWaalsContact CG2-NE2 3.34Å; I247-H250 WeakPolarHBondContact CG2-NE2 3.41Å; K248-H250 PolarHBondContact O-CE1 3.26Å; K248-H250 VanDerWaalsContact O-CE1 3.31Å; K248-H250 PolarHBondContact O-N 2.91Å; K248-H250 PolarHBondContact O-ND1 3.38Å
251	L	69.8	Low	62.5	Low	2 Å²	2	46 Å²	46	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.5	157.3	171.7	60.5	0	0	0	106.8	A191 F209 L253 V263 V265 F268 L276	A191-L251 HydrophobicContact CB-CD1 4.05Å; F209-L251 HydrophobicContact CD2-CD1 4.17Å; F209-L251 HydrophobicContact CE2-CD1 3.41Å; F209-L251 VanDerWaalsContact CE2-CD1 3.41Å; F209-L251 HydrophobicContact CE2-CD2 4.39Å; F209-L251 HydrophobicContact CE2-CG 4.49Å; F209-L251 HydrophobicContact CZ-CD1 4.1Å; L251-L253 HydrophobicContact CD1-CD2 4.31Å; L251-L253 HydrophobicContact CD2-CD2 4.23Å; L251-L253 HydrophobicContact CG-CD2 4.16Å; L251-V263 HydrophobicContact CB-CB 4.4Å; L251-V263 HydrophobicContact CD2-CB 4.35Å; L251-V263 HydrophobicContact CG-CB 4.45Å; L251-V263 PolarHBondContact N-O 3.08Å; L251-V263 PolarHBondContact O-N 2.94Å; L251-V265 HydrophobicContact CB-CG2 3.92Å; L251-F268 HydrophobicContact CD2-CE2 4.41Å; L251-F268 HydrophobicContact CD2-CZ 3.82Å; L251-L276 HydrophobicContact CD2-CD1 3.48Å; L251-L276 VanDerWaalsContact CD2-CD1 3.48Å; L251-L276 HydrophobicContact CD2-CD2 3.44Å; L251-L276 VanDerWaalsContact CD2-CD2 3.44Å; L251-L276 HydrophobicContact CD2-CG 4.12Å
252	T	72.9	Confident	62.3	Low	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.6	172.1	-64.6	0	0	0	0	109.1	L192 Y240 F244 I254 H262	L192-T252 PolarHBondContact N-O 2.99Å; L192-T252 PolarHBondContact O-N 2.87Å; Y240-T252 PolarHBondContact OH-OG1 3.02Å; F244-T252 HydrophobicContact CD1-CG2 3.98Å; F244-T252 HydrophobicContact CE1-CG2 3.89Å; F244-T252 HydrophobicContact CZ-CG2 4.43Å; T252-I254 HydrophobicContact CG2-CG1 3.9Å; T252-H262 PolarHBondContact OG1-CE1 3.07Å; T252-H262 PolarHBondContact OG1-ND1 3.23Å
253	L	70.7	Confident	62.2	Low	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	113.3	171.2	-63.3	-175	0	0	0	108.7	I190 A191 L251 T260 S261 V263 L276 I279 L280	I190-L253 CarbonylContact O-C 3.6Å; I190-L253 WeakPolarHBondContact O-CA 3.14Å; A191-L253 HydrophobicContact CB-CD2 3.8Å; L251-L253 HydrophobicContact CD1-CD2 4.31Å; L251-L253 HydrophobicContact CD2-CD2 4.23Å; L251-L253 HydrophobicContact CG-CD2 4.16Å; L253-T260 CarbonylContact O-C 3.55Å; L253-T260 WeakPolarHBondContact O-CA 3.35Å; L253-S261 WeakPolarHBondContact CB-OG 3.45Å; L253-S261 PolarHBondContact N-O 3.3Å; L253-S261 PolarHBondContact O-N 3.07Å; L253-S261 PolarHBondContact O-OG 2.82Å; L253-V263 HydrophobicContact CD1-CG2 3.58Å; L253-V263 HydrophobicContact CG-CG2 3.86Å; L253-L276 HydrophobicContact CD1-CD1 4.09Å; L253-L276 HydrophobicContact CD2-CD1 4.26Å; L253-I279 HydrophobicContact CD1-CG2 3.55Å; L253-L280 HydrophobicContact CD1-CD2 4.13Å; L253-L280 HydrophobicContact CD2-CD2 3.53Å; L253-L280 HydrophobicContact CD2-CG 4.45Å; L253-L280 HydrophobicContact CG-CD2 4.44Å
254	I	71.4	Confident	61.9	Low	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.7	175.7	-47.7	172.2	0	0	0	106.6	L180 I184 V189 I190 L192 F244 T252 T260	L180-I254 HydrophobicContact CD1-CD1 3.69Å; I184-I254 HydrophobicContact CD1-CG2 4.29Å; I184-I254 HydrophobicContact CG1-CG2 4.25Å; V189-I254 CarbonylContact C-O 3.58Å; V189-I254 WeakPolarHBondContact CA-O 3.43Å; I190-I254 HydrophobicContact CB-CB 4.16Å; I190-I254 HydrophobicContact CD1-CB 4.34Å; I190-I254 HydrophobicContact CD1-CG2 4.46Å; I190-I254 PolarHBondContact N-O 2.59Å; I190-I254 PolarHBondContact O-N 3.1Å; L192-I254 HydrophobicContact CD2-CD1 4.34Å; F244-I254 HydrophobicContact CE1-CD1 4.37Å; F244-I254 HydrophobicContact CZ-CD1 3.93Å; T252-I254 HydrophobicContact CG2-CG1 3.9Å; I254-T260 HydrophobicContact CG1-CG2 4.18Å; I254-T260 HydrophobicContact CG2-CG2 4.32Å
255	T	66	Low	61.3	Low	24 Å²	24	41.4 Å²	41.4	15%	0.147	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	147.9	173.4	61.3	0	0	0	0	109.6	C257 G258 N259	T255-C257 PolarHBondContact O-N 3.05Å; T255-G258 PolarHBondContact O-N 3.17Å; T255-N259 PolarHBondContact N-O 3.33Å; T255-N259 VanDerWaalsContact OG1-CB 3.31Å; T255-N259 WeakPolarHBondContact OG1-CB 3.43Å; T255-N259 PolarHBondContact OG1-O 3.3Å
256	S	57.1	Low	60.8	Low	3 Å²	3	47 Å²	47	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	127.1	-175.9	65.7	0	0	0	0	109.4	H187 K188 S287 C291	H187-S256 WeakPolarHBondContact O-CB 3.35Å; K188-S256 WeakPolarHBondContact O-CB 3.21Å; K188-S256 PolarHBondContact O-N 2.94Å; K188-S256 PolarHBondContact O-OG 3.4Å; S256-S287 PolarHBondContact OG-OG 3.02Å; S256-C291 VanDerWaalsContact C-SG 3.56Å; S256-C291 WeakPolarHBondContact CB-SG 3.31Å
257	C	53.8	Low	60.5	Low	27 Å²	27	47.8 Å²	47.8	18%	0.182	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	5.5	-158.7	-53.8	0	0	0	0	114.9	T255 N259 T289 C291	T255-C257 PolarHBondContact O-N 3.05Å; C257-N259 VanDerWaalsContact C-N 3.26Å; C257-N259 PolarHBondContact O-N 2.65Å; C257-T289 WeakPolarHBondContact SG-CB 3.3Å; C257-T289 PolarHBondContact SG-OG1 3.31Å; C257-C291 PolarHBondContact N-SG 3.08Å; C257-C291 VanDerWaalsContact N-SG 3.38Å; C257-C291 VanDerWaalsContact SG-SG 3.68Å
258	G	52.7	Low	60.6	Low	6 Å²	6	44.6 Å²	44.6	6%	0.062	22%	0.219	C	C	.	.	S	Bend	trans	80.8	1.2	169	0	0	0	0	0	114.5	T255 T260	T255-G258 PolarHBondContact O-N 3.17Å; G258-T260 WeakPolarHBondContact O-CG2 3.27Å; G258-T260 PolarHBondContact O-N 2.81Å; G258-T260 VanDerWaalsContact O-N 3.16Å
259	N	61.3	Low	60.7	Low	86 Å²	86	41.7 Å²	41.7	46%	0.46	21%	0.21	S	C	.	.			trans	-65.5	115.9	170.5	-78.3	-6.3	0	0	0	108.8	T255 C257	T255-N259 PolarHBondContact N-O 3.33Å; T255-N259 VanDerWaalsContact OG1-CB 3.31Å; T255-N259 WeakPolarHBondContact OG1-CB 3.43Å; T255-N259 PolarHBondContact OG1-O 3.3Å; C257-N259 VanDerWaalsContact C-N 3.26Å; C257-N259 PolarHBondContact O-N 2.65Å
260	T	62.4	Low	61	Low	27 Å²	27	47.8 Å²	47.8	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	142.8	178.9	65.6	0	0	0	0	109.8	F244 L253 I254 G258 T361 F363	F244-T260 HydrophobicContact CE1-CG2 4.11Å; L253-T260 CarbonylContact O-C 3.55Å; L253-T260 WeakPolarHBondContact O-CA 3.35Å; I254-T260 HydrophobicContact CG1-CG2 4.18Å; I254-T260 HydrophobicContact CG2-CG2 4.32Å; G258-T260 WeakPolarHBondContact O-CG2 3.27Å; G258-T260 PolarHBondContact O-N 2.81Å; G258-T260 VanDerWaalsContact O-N 3.16Å; T260-T361 WeakPolarHBondContact OG1-CG2 3.32Å; T260-T361 PolarHBondContact OG1-OG1 2.98Å; T260-F363 HydrophobicContact CG2-CB 4.5Å; T260-F363 HydrophobicContact CG2-CD1 3.87Å
261	S	64.8	Low	60.8	Low	46 Å²	46	56.1 Å²	56.1	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.4	168.9	56.2	0	0	0	0	107.9	L253	L253-S261 WeakPolarHBondContact CB-OG 3.45Å; L253-S261 PolarHBondContact N-O 3.3Å; L253-S261 PolarHBondContact O-N 3.07Å; L253-S261 PolarHBondContact O-OG 2.82Å
262	H	63.6	Low	60.3	Low	71 Å²	71	56.4 Å²	56.4	33%	0.329	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.5	179.2	-64.1	-67.9	0	0	0	109.5	T252	T252-H262 PolarHBondContact OG1-CE1 3.07Å; T252-H262 PolarHBondContact OG1-ND1 3.23Å
263	V	61.1	Low	59.6	Low	25 Å²	25	57.7 Å²	57.7	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.6	173.9	-178.6	0	0	0	0	108	L251 L253 V265 F268	L251-V263 HydrophobicContact CB-CB 4.4Å; L251-V263 HydrophobicContact CD2-CB 4.35Å; L251-V263 HydrophobicContact CG-CB 4.45Å; L251-V263 PolarHBondContact N-O 3.08Å; L251-V263 PolarHBondContact O-N 2.94Å; L253-V263 HydrophobicContact CD1-CG2 3.58Å; L253-V263 HydrophobicContact CG-CG2 3.86Å; V263-V265 PolarHBondContact O-N 2.77Å; V263-F268 HydrophobicContact CG1-CZ 4.44Å
264	D	57.6	Low	59.3	Low	67 Å²	67	63 Å²	63	36%	0.358	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	119.8	177.9	-175	1.8	0	0	0	110.7	Q266	D264-Q266 VanDerWaalsContact C-N 3.31Å; D264-Q266 PolarHBondContact O-N 3.27Å; D264-Q266 PolarHBondContact OD1-N 3.29Å; D264-Q266 VanDerWaalsContact OD1-N 3.14Å
265	V	54.1	Low	59	Low	3 Å²	3	67.3 Å²	67.3	2%	0.018	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-74.1	-21.6	-174	-177.8	0	0	0	0	111.9	H205 P249 L251 V263 R267 F268	H205-V265 HydrophobicContact CB-CG1 3.82Å; P249-V265 VanDerWaalsContact O-CG2 3.27Å; P249-V265 WeakPolarHBondContact O-CG2 3.4Å; L251-V265 HydrophobicContact CB-CG2 3.92Å; V263-V265 PolarHBondContact O-N 2.77Å; V265-R267 PolarHBondContact O-N 3.05Å; V265-F268 HydrophobicContact CB-CD2 3.93Å; V265-F268 HydrophobicContact CB-CE2 3.9Å; V265-F268 HydrophobicContact CG1-CD2 3.47Å; V265-F268 VanDerWaalsContact CG1-CD2 3.47Å; V265-F268 HydrophobicContact CG1-CE2 3.78Å; V265-F268 HydrophobicContact CG2-CD2 4.47Å; V265-F268 HydrophobicContact CG2-CE2 3.97Å; V265-F268 WeakPolarHBondContact O-CD2 3.49Å; V265-F268 PolarHBondContact O-N 2.98Å; V265-F268 VanDerWaalsContact O-N 3.07Å
266	Q	53.9	Low	59.1	Low	142 Å²	142	66.2 Å²	66.2	66%	0.664	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-60.4	-13	-177.5	-66.3	-170.8	-2.5	0	0	113.7	D264	D264-Q266 VanDerWaalsContact C-N 3.31Å; D264-Q266 PolarHBondContact O-N 3.27Å; D264-Q266 PolarHBondContact OD1-N 3.29Å; D264-Q266 VanDerWaalsContact OD1-N 3.14Å
267	R	53.2	Low	59.6	Low	197 Å²	197	66.4 Å²	66.4	74%	0.743	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-100.1	12.6	178.8	-69.2	-176.2	179.4	153.7	1.9	115.3	V265 D269 G272	V265-R267 PolarHBondContact O-N 3.05Å; R267-D269 PolarHBondContact O-N 3.46Å; R267-G272 VanDerWaalsContact O-CA 3.3Å; R267-G272 WeakPolarHBondContact O-CA 3.42Å
268	F	54.6	Low	60.3	Low	21 Å²	21	70.5 Å²	70.5	9%	0.092	34%	0.336	C	S	.	.			trans	-76.1	67.2	173.3	-71.9	-67.6	0	0	0	112.6	L251 V263 V265 L276	L251-F268 HydrophobicContact CD2-CE2 4.41Å; L251-F268 HydrophobicContact CD2-CZ 3.82Å; V263-F268 HydrophobicContact CG1-CZ 4.44Å; V265-F268 HydrophobicContact CB-CD2 3.93Å; V265-F268 HydrophobicContact CB-CE2 3.9Å; V265-F268 HydrophobicContact CG1-CD2 3.47Å; V265-F268 VanDerWaalsContact CG1-CD2 3.47Å; V265-F268 HydrophobicContact CG1-CE2 3.78Å; V265-F268 HydrophobicContact CG2-CD2 4.47Å; V265-F268 HydrophobicContact CG2-CE2 3.97Å; V265-F268 WeakPolarHBondContact O-CD2 3.49Å; V265-F268 PolarHBondContact O-N 2.98Å; V265-F268 VanDerWaalsContact O-N 3.07Å; F268-L276 HydrophobicContact CE1-CB 3.69Å; F268-L276 HydrophobicContact CE1-CD2 3.45Å; F268-L276 VanDerWaalsContact CE1-CD2 3.45Å; F268-L276 HydrophobicContact CE1-CG 4.13Å; F268-L276 HydrophobicContact CZ-CB 4.28Å; F268-L276 HydrophobicContact CZ-CD2 3.58Å; F268-L276 HydrophobicContact CZ-CG 4.37Å
269	D	57.4	Low	61	Low	85 Å²	85	72.2 Å²	72.2	46%	0.455	34%	0.343	S	S	.	.	S	Bend	trans	-80	179.3	148.9	65.6	-0.3	0	0	0	109.5	R267 R271 G272 L273	R267-D269 PolarHBondContact O-N 3.46Å; D269-R271 PolarHBondContact O-N 3.3Å; D269-R271 WeakPolarHBondContact OD1-CA 3.17Å; D269-R271 WeakPolarHBondContact OD1-CB 3.36Å; D269-R271 PolarHBondContact OD1-N 3.16Å; D269-R271 VanDerWaalsContact OD1-N 3.13Å; D269-G272 WeakPolarHBondContact O-CA 3.27Å; D269-G272 PolarHBondContact O-N 3.18Å; D269-G272 PolarHBondContact OD1-N 3.42Å; D269-L273 PolarHBondContact O-N 2.9Å
270	E	57.8	Low	61.5	Low	145 Å²	145	68.1 Å²	68.1	68%	0.678	32%	0.322	S	S	*	.	H	α-helix	trans	-53.5	-27.7	175.8	-70.7	-174.9	161.8	0	0	112.9	H274	E270-H274 PolarHBondContact O-N 2.97Å
271	R	59.8	Low	61.8	Low	201 Å²	201	69.2 Å²	69.2	76%	0.758	32%	0.324	S	S	*	.	H	α-helix	trans	-75.9	-38	174.6	-53.8	-175.8	-152.3	-178.5	7.5	111.6	D269 L273 H274 N275	D269-R271 PolarHBondContact O-N 3.3Å; D269-R271 WeakPolarHBondContact OD1-CA 3.17Å; D269-R271 WeakPolarHBondContact OD1-CB 3.36Å; D269-R271 PolarHBondContact OD1-N 3.16Å; D269-R271 VanDerWaalsContact OD1-N 3.13Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 3.36Å; R271-H274 WeakPolarHBondContact O-CB 3.23Å; R271-H274 PolarHBondContact O-N 3.43Å; R271-N275 WeakPolarHBondContact O-CB 3.35Å; R271-N275 PolarHBondContact O-N 3.39Å
272	G	61.2	Low	61.9	Low	8 Å²	8	72.5 Å²	72.5	8%	0.082	34%	0.335	C	S	.	.	H	α-helix	trans	-58.6	-39.1	172.2	0	0	0	0	0	112.8	R267 D269 N275 L276	R267-G272 VanDerWaalsContact O-CA 3.3Å; R267-G272 WeakPolarHBondContact O-CA 3.42Å; D269-G272 WeakPolarHBondContact O-CA 3.27Å; D269-G272 PolarHBondContact O-N 3.18Å; D269-G272 PolarHBondContact OD1-N 3.42Å; G272-N275 PolarHBondContact O-N 3.09Å; G272-L276 WeakPolarHBondContact O-CB 3.34Å; G272-L276 PolarHBondContact O-N 3.42Å
273	L	58.3	Low	62.1	Low	27 Å²	27	70.3 Å²	70.3	14%	0.141	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-49	171.2	-89.4	113.8	0	0	0	111.7	V212 D269 R271 L276 S277	V212-L273 HydrophobicContact CB-CD2 4.27Å; V212-L273 HydrophobicContact CG2-CB 4.27Å; V212-L273 HydrophobicContact CG2-CD2 3.26Å; V212-L273 HydrophobicContact CG2-CG 3.48Å; V212-L273 VanDerWaalsContact CG2-CG 3.48Å; D269-L273 PolarHBondContact O-N 2.9Å; R271-L273 VanDerWaalsContact C-N 3.3Å; R271-L273 PolarHBondContact O-N 3.36Å; L273-L276 PolarHBondContact O-N 3.46Å; L273-S277 PolarHBondContact O-N 2.77Å
274	H	63.4	Low	62.3	Low	113 Å²	113	70.2 Å²	70.2	52%	0.523	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-46	177.5	-94.2	-84.5	0	0	0	111.7	E270 R271 L276 S277 E278	E270-H274 PolarHBondContact O-N 2.97Å; R271-H274 WeakPolarHBondContact O-CB 3.23Å; R271-H274 PolarHBondContact O-N 3.43Å; H274-L276 PolarHBondContact O-N 2.89Å; H274-S277 PolarHBondContact O-N 3.07Å; H274-S277 PolarHBondContact O-OG 3.25Å; H274-E278 PolarHBondContact O-N 3.37Å
275	N	66	Low	62.5	Low	89 Å²	89	73.2 Å²	73.2	48%	0.476	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-44.8	178.4	-171.5	28	0	0	0	111.9	R271 G272 S277 E278 I279	R271-N275 WeakPolarHBondContact O-CB 3.35Å; R271-N275 PolarHBondContact O-N 3.39Å; G272-N275 PolarHBondContact O-N 3.09Å; N275-S277 VanDerWaalsContact C-N 3.33Å; N275-S277 PolarHBondContact O-N 3.27Å; N275-E278 PolarHBondContact O-N 2.78Å; N275-I279 VanDerWaalsContact O-CG1 3.24Å; N275-I279 WeakPolarHBondContact O-CG1 3.4Å; N275-I279 PolarHBondContact O-N 3.49Å
276	L	66.6	Low	62.6	Low	2 Å²	2	80 Å²	80	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-62.5	-41.1	176.2	175.2	63.3	0	0	0	111.8	V212 L251 L253 F268 G272 L273 H274 E278 I279 L280	V212-L276 HydrophobicContact CB-CD2 4.42Å; V212-L276 HydrophobicContact CG1-CD2 3.7Å; V212-L276 HydrophobicContact CG1-CG 4.34Å; V212-L276 HydrophobicContact CG2-CD2 4.25Å; L251-L276 HydrophobicContact CD2-CD1 3.48Å; L251-L276 VanDerWaalsContact CD2-CD1 3.48Å; L251-L276 HydrophobicContact CD2-CD2 3.44Å; L251-L276 VanDerWaalsContact CD2-CD2 3.44Å; L251-L276 HydrophobicContact CD2-CG 4.12Å; L253-L276 HydrophobicContact CD1-CD1 4.09Å; L253-L276 HydrophobicContact CD2-CD1 4.26Å; F268-L276 HydrophobicContact CE1-CB 3.69Å; F268-L276 HydrophobicContact CE1-CD2 3.45Å; F268-L276 VanDerWaalsContact CE1-CD2 3.45Å; F268-L276 HydrophobicContact CE1-CG 4.13Å; F268-L276 HydrophobicContact CZ-CB 4.28Å; F268-L276 HydrophobicContact CZ-CD2 3.58Å; F268-L276 HydrophobicContact CZ-CG 4.37Å; G272-L276 WeakPolarHBondContact O-CB 3.34Å; G272-L276 PolarHBondContact O-N 3.42Å; L273-L276 PolarHBondContact O-N 3.46Å; H274-L276 PolarHBondContact O-N 2.89Å; L276-E278 VanDerWaalsContact C-N 3.3Å; L276-E278 PolarHBondContact O-N 2.89Å; L276-I279 PolarHBondContact O-N 2.97Å; L276-L280 HydrophobicContact CD1-CD1 4.17Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 4.02Å; L276-L280 HydrophobicContact CG-CG 4.39Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 VanDerWaalsContact O-CG 3.25Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.17Å
277	S	67.5	Low	62.6	Low	6 Å²	6	74.3 Å²	74.3	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-60.1	-43.2	175.8	75.1	0	0	0	0	111.2	L273 H274 N275 L280 F281	L273-S277 PolarHBondContact O-N 2.77Å; H274-S277 PolarHBondContact O-N 3.07Å; H274-S277 PolarHBondContact O-OG 3.25Å; N275-S277 VanDerWaalsContact C-N 3.33Å; N275-S277 PolarHBondContact O-N 3.27Å; S277-L280 PolarHBondContact O-N 2.98Å; S277-F281 WeakPolarHBondContact O-CD2 3.39Å; S277-F281 WeakPolarHBondContact O-CG 3.29Å; S277-F281 PolarHBondContact O-N 3.25Å; S277-F281 VanDerWaalsContact O-N 3.08Å
278	E	68.4	Low	62.2	Low	114 Å²	114	71.1 Å²	71.1	53%	0.533	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-46.8	175.6	-74.5	-178.1	166.8	0	0	112.4	H274 N275 L276 L280 F281 E282	H274-E278 PolarHBondContact O-N 3.37Å; N275-E278 PolarHBondContact O-N 2.78Å; L276-E278 VanDerWaalsContact C-N 3.3Å; L276-E278 PolarHBondContact O-N 2.89Å; E278-L280 VanDerWaalsContact C-N 3.28Å; E278-L280 PolarHBondContact O-N 3.37Å; E278-F281 PolarHBondContact O-N 2.84Å; E278-F281 VanDerWaalsContact O-N 3.08Å; E278-E282 WeakPolarHBondContact O-CG 3.46Å; E278-E282 PolarHBondContact O-N 2.9Å
279	I	68.5	Low	61.7	Low	41 Å²	41	72.2 Å²	72.2	21%	0.21	36%	0.359	C	S	.	.	H	α-helix	trans	-57	-43	177	-68.6	164.4	0	0	0	110.9	L253 N275 L276 E282 S283	L253-I279 HydrophobicContact CD1-CG2 3.55Å; N275-I279 VanDerWaalsContact O-CG1 3.24Å; N275-I279 WeakPolarHBondContact O-CG1 3.4Å; N275-I279 PolarHBondContact O-N 3.49Å; L276-I279 PolarHBondContact O-N 2.97Å; I279-E282 PolarHBondContact O-N 3.39Å; I279-S283 VanDerWaalsContact O-CB 3.25Å; I279-S283 WeakPolarHBondContact O-CB 3.12Å; I279-S283 PolarHBondContact O-N 3.36Å; I279-S283 PolarHBondContact O-OG 3.19Å
280	L	70.9	Confident	61.1	Low	0 Å²	0	72 Å²	72	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-42.8	177.2	-73.8	170.5	0	0	0	111.6	V189 A191 T216 I229 F231 L253 L276 S277 E278 Q284	V189-L280 HydrophobicContact CG1-CD2 3.58Å; A191-L280 HydrophobicContact CB-CD2 4.49Å; T216-L280 HydrophobicContact CG2-CD1 3.99Å; I229-L280 HydrophobicContact CD1-CB 4.15Å; I229-L280 HydrophobicContact CG2-CD2 4.26Å; F231-L280 HydrophobicContact CE1-CD1 4.15Å; F231-L280 HydrophobicContact CE2-CD1 4.43Å; F231-L280 HydrophobicContact CZ-CD1 3.57Å; L253-L280 HydrophobicContact CD1-CD2 4.13Å; L253-L280 HydrophobicContact CD2-CD2 3.53Å; L253-L280 HydrophobicContact CD2-CG 4.45Å; L253-L280 HydrophobicContact CG-CD2 4.44Å; L276-L280 HydrophobicContact CD1-CD1 4.17Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 4.02Å; L276-L280 HydrophobicContact CG-CG 4.39Å; L276-L280 WeakPolarHBondContact O-CB 3.47Å; L276-L280 VanDerWaalsContact O-CG 3.25Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.17Å; S277-L280 PolarHBondContact O-N 2.98Å; E278-L280 VanDerWaalsContact C-N 3.28Å; E278-L280 PolarHBondContact O-N 3.37Å; L280-Q284 WeakPolarHBondContact O-CB 3.47Å; L280-Q284 PolarHBondContact O-N 2.95Å; L280-Q284 VanDerWaalsContact O-N 3.08Å
281	F	68.9	Low	60.8	Low	50 Å²	50	65.6 Å²	65.6	22%	0.219	33%	0.332	C	S	.	.	H	α-helix	trans	-67.6	-40.3	176.7	-74.8	-58.5	0	0	0	112.8	T216 K219 E220 S277 E278 Q284 N285	T216-F281 HydrophobicContact CG2-CE2 4.4Å; T216-F281 HydrophobicContact CG2-CZ 4.39Å; K219-F281 HydrophobicContact CB-CE2 4.16Å; K219-F281 HydrophobicContact CB-CZ 3.76Å; K219-F281 HydrophobicContact CD-CE2 4.32Å; E220-F281 HydrophobicContact CG-CE1 3.76Å; E220-F281 HydrophobicContact CG-CZ 4.34Å; S277-F281 WeakPolarHBondContact O-CD2 3.39Å; S277-F281 WeakPolarHBondContact O-CG 3.29Å; S277-F281 PolarHBondContact O-N 3.25Å; S277-F281 VanDerWaalsContact O-N 3.08Å; E278-F281 PolarHBondContact O-N 2.84Å; E278-F281 VanDerWaalsContact O-N 3.08Å; F281-Q284 WeakPolarHBondContact O-CB 3.43Å; F281-Q284 PolarHBondContact O-N 2.98Å; F281-N285 PolarHBondContact O-N 3.01Å; F281-N285 PolarHBondContact O-ND2 3.2Å
282	E	67.9	Low	60.8	Low	116 Å²	116	56.2 Å²	56.2	54%	0.542	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-43	176.5	-73.8	-173.7	168.2	0	0	111.5	E278 I279 Q284 N285 H286	E278-E282 WeakPolarHBondContact O-CG 3.46Å; E278-E282 PolarHBondContact O-N 2.9Å; I279-E282 PolarHBondContact O-N 3.39Å; E282-Q284 VanDerWaalsContact C-N 3.28Å; E282-Q284 PolarHBondContact O-N 3.23Å; E282-N285 PolarHBondContact O-N 3.33Å; E282-N285 VanDerWaalsContact O-N 3.15Å; E282-H286 PolarHBondContact O-N 2.94Å; E282-H286 PolarHBondContact O-ND1 2.82Å
283	S	66	Low	60.9	Low	24 Å²	24	56.4 Å²	56.4	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-38.3	176.6	-61	0	0	0	0	111.7	I279 S287	I279-S283 VanDerWaalsContact O-CB 3.25Å; I279-S283 WeakPolarHBondContact O-CB 3.12Å; I279-S283 PolarHBondContact O-N 3.36Å; I279-S283 PolarHBondContact O-OG 3.19Å; S283-S287 PolarHBondContact O-N 3.4Å
284	Q	65.7	Low	61.3	Low	23 Å²	23	55.1 Å²	55.1	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-39.2	175.2	-178.4	-174.3	37.8	0	0	112.6	V189 E220 N228 L280 F281 E282	V189-Q284 HydrophobicContact CG2-CB 4.48Å; E220-Q284 PolarHBondContact OE1-NE2 2.91Å; N228-Q284 VanDerWaalsContact CB-NE2 3.27Å; N228-Q284 PolarHBondContact ND2-NE2 3.44Å; L280-Q284 WeakPolarHBondContact O-CB 3.47Å; L280-Q284 PolarHBondContact O-N 2.95Å; L280-Q284 VanDerWaalsContact O-N 3.08Å; F281-Q284 WeakPolarHBondContact O-CB 3.43Å; F281-Q284 PolarHBondContact O-N 2.98Å; E282-Q284 VanDerWaalsContact C-N 3.28Å; E282-Q284 PolarHBondContact O-N 3.23Å
285	N	63.4	Low	61.9	Low	130 Å²	130	50.8 Å²	50.8	70%	0.695	27%	0.271	S	S	*	.	H	α-helix	trans	-78.8	-32.3	-179	-74.1	-29.5	0	0	0	113.1	F281 E282	F281-N285 PolarHBondContact O-N 3.01Å; F281-N285 PolarHBondContact O-ND2 3.2Å; E282-N285 PolarHBondContact O-N 3.33Å; E282-N285 VanDerWaalsContact O-N 3.15Å
286	H	55.5	Low	62.7	Low	145 Å²	145	46.9 Å²	46.9	67%	0.671	25%	0.25	S	S	*	.	H	α-helix	trans	-78.6	-18.2	178.9	-77	84.5	0	0	0	113.7	E282 T288	E282-H286 PolarHBondContact O-N 2.94Å; E282-H286 PolarHBondContact O-ND1 2.82Å; H286-T288 VanDerWaalsContact C-N 3.32Å; H286-T288 PolarHBondContact O-N 3.3Å
287	S	53.1	Low	63.5	Low	24 Å²	24	46.9 Å²	46.9	17%	0.168	25%	0.25	C	C	.	.			trans	-69.6	89.3	172.8	-175.6	0	0	0	0	110	S256 S283 T289	S256-S287 PolarHBondContact OG-OG 3.02Å; S283-S287 PolarHBondContact O-N 3.4Å; S287-T289 VanDerWaalsContact C-N 3.26Å; S287-T289 PolarHBondContact OG-O 3.3Å
288	T	45.3	Very low	64.4	Low	129 Å²	129	47 Å²	47	79%	0.791	25%	0.25	S	S	*	.			trans	-74.2	-20.2	173.2	53.5	0	0	0	0	112.2	H286 T290	H286-T288 VanDerWaalsContact C-N 3.32Å; H286-T288 PolarHBondContact O-N 3.3Å; T288-T290 PolarHBondContact O-N 2.95Å
289	T	44.6	Very low	64.9	Low	44 Å²	44	42.6 Å²	42.6	27%	0.27	23%	0.232	S	C	.	.	S	Bend	trans	-84.9	109.3	179.3	44.6	0	0	0	0	110.1	C257 S287 C291	C257-T289 WeakPolarHBondContact SG-CB 3.3Å; C257-T289 PolarHBondContact SG-OG1 3.31Å; S287-T289 VanDerWaalsContact C-N 3.26Å; S287-T289 PolarHBondContact OG-O 3.3Å; T289-C291 PolarHBondContact O-N 3.22Å
290	T	43.7	Very low	64.9	Low	80 Å²	80	42 Å²	42	49%	0.491	23%	0.229	S	C	.	.			trans	-74.4	91.7	-179.9	67	0	0	0	0	110.7	T288 K342	T288-T290 PolarHBondContact O-N 2.95Å; T290-K342 PolarHBondContact O-NZ 3.17Å; T290-K342 PolarHBondContact OG1-NZ 2.75Å
291	C	53.1	Low	64.4	Low	11 Å²	11	44.9 Å²	44.9	7%	0.074	24%	0.244	C	C	.	.			trans	-57.4	163	159.9	-82.5	0	0	0	0	110.8	S256 C257 T289 N293 K342	S256-C291 VanDerWaalsContact C-SG 3.56Å; S256-C291 WeakPolarHBondContact CB-SG 3.31Å; C257-C291 PolarHBondContact N-SG 3.08Å; C257-C291 VanDerWaalsContact N-SG 3.38Å; C257-C291 VanDerWaalsContact SG-SG 3.68Å; T289-C291 PolarHBondContact O-N 3.22Å; C291-N293 PolarHBondContact O-N 2.85Å; C291-K342 PolarHBondContact O-NZ 3.19Å
292	F	58.1	Low	63.9	Low	4 Å²	4	50.1 Å²	50.1	2%	0.018	28%	0.275	C	S	.	.	S	Bend	trans	-63.7	68.7	-170.9	-60.6	-74	0	0	0	114.3	L185 K339 K342 L343 H348	L185-F292 HydrophobicContact CD2-CD2 4.21Å; L185-F292 HydrophobicContact CD2-CE2 4.3Å; F292-K339 HydrophobicContact CB-CG 4.11Å; F292-K339 WeakPolarHBondContact O-CE 3.5Å; F292-K342 HydrophobicContact CD1-CB 3.82Å; F292-K342 HydrophobicContact CD1-CD 3.75Å; F292-K342 HydrophobicContact CD1-CG 3.63Å; F292-K342 HydrophobicContact CE1-CB 4.14Å; F292-K342 HydrophobicContact CE1-CD 4.4Å; F292-K342 HydrophobicContact CE1-CG 3.88Å; F292-L343 VanDerWaalsContact CE1-CA 3.49Å; F292-L343 HydrophobicContact CE1-CB 3.93Å; F292-L343 HydrophobicContact CE1-CD1 4.16Å; F292-L343 HydrophobicContact CE2-CD1 3.97Å; F292-L343 HydrophobicContact CZ-CB 4.03Å; F292-L343 HydrophobicContact CZ-CD1 3.38Å; F292-L343 HydrophobicContact CZ-CG 4.32Å; F292-H348 AromaticContact CE2-CE1 3.3Å; F292-H348 WeakPolarHBondContact CE2-CE1 3.27Å; F292-H348 AromaticContact CE2-NE2 3Å; F292-H348 WeakPolarHBondContact CE2-NE2 3.32Å; F292-H348 AromaticContact CZ-CE1 3.13Å; F292-H348 WeakPolarHBondContact CZ-CE1 3.47Å; F292-H348 AromaticContact CZ-NE2 3.22Å; F292-H348 WeakPolarHBondContact CZ-NE2 3.18Å
293	N	63.2	Low	63.4	Low	12 Å²	12	51 Å²	51	6%	0.064	27%	0.273	C	S	.	.			trans	-127.6	91.6	177.6	-157.5	7.5	0	0	0	110.7	K227 N228 C291 V295	K227-N293 VanDerWaalsContact C-ND2 3.3Å; K227-N293 PolarHBondContact O-ND2 3.43Å; N228-N293 PolarHBondContact OD1-ND2 3.26Å; C291-N293 PolarHBondContact O-N 2.85Å; N293-V295 PolarHBondContact O-N 3.28Å; N293-V295 VanDerWaalsContact O-N 3.15Å
294	P	67.1	Low	62.9	Low	1 Å²	1	57.4 Å²	57.4	1%	0.006	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-56.9	118.6	168.3	-15.6	27.2	0	0	0	109.1	L335 L338 F559	P294-L335 HydrophobicContact CB-CD2 4.27Å; P294-L338 HydrophobicContact CB-CB 4.16Å; P294-L338 HydrophobicContact CB-CD1 3.69Å; P294-L338 HydrophobicContact CG-CB 3.53Å; P294-L338 HydrophobicContact CG-CD1 4.02Å; P294-L338 HydrophobicContact CG-CG 4.45Å; P294-F559 WeakPolarHBondContact CA-O 3.12Å
295	V	76.1	Confident	62.7	Low	21 Å²	21	59.1 Å²	59.1	13%	0.127	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.7	-177.6	-180	0	0	0	0	108.7	N293 I297 H560 T561	N293-V295 PolarHBondContact O-N 3.28Å; N293-V295 VanDerWaalsContact O-N 3.15Å; V295-I297 HydrophobicContact CG1-CG2 4.49Å; V295-I297 PolarHBondContact O-N 2.85Å; V295-H560 WeakPolarHBondContact O-CA 3.4Å; V295-H560 WeakPolarHBondContact O-CB 3.33Å; V295-H560 PolarHBondContact O-ND1 2.77Å; V295-T561 PolarHBondContact O-N 2.81Å
296	D	82.3	Confident	62.9	Low	8 Å²	8	58.3 Å²	58.3	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.9	166.5	179.6	19.6	0	0	0	109.8	T298 S326 T561	D296-T298 VanDerWaalsContact OD1-CB 3.29Å; D296-T298 WeakPolarHBondContact OD1-CB 3.42Å; D296-T298 PolarHBondContact OD1-N 2.68Å; D296-T298 PolarHBondContact OD1-OG1 3.13Å; D296-S326 WeakPolarHBondContact OD2-CA 3.48Å; D296-S326 VanDerWaalsContact OD2-CB 3.26Å; D296-S326 WeakPolarHBondContact OD2-CB 3.25Å; D296-T561 WeakPolarHBondContact CA-OG1 3.45Å; D296-T561 WeakPolarHBondContact CB-OG1 3.45Å; D296-T561 VanDerWaalsContact OD1-O 3.1Å
297	I	84.4	Confident	63.6	Low	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.285	C	S	.	.			trans	-105.1	11.2	-177.9	61.3	170	0	0	0	112.3	V295 P299 W308 I311 I317 L319 H560 T561	V295-I297 HydrophobicContact CG1-CG2 4.49Å; V295-I297 PolarHBondContact O-N 2.85Å; I297-P299 WeakPolarHBondContact O-CD 3.46Å; I297-W308 HydrophobicContact CB-CZ2 4.33Å; I297-W308 HydrophobicContact CD1-CD2 4.28Å; I297-W308 HydrophobicContact CD1-CE3 4.25Å; I297-W308 HydrophobicContact CD1-CH2 3.43Å; I297-W308 VanDerWaalsContact CD1-CH2 3.43Å; I297-W308 HydrophobicContact CD1-CZ2 3.41Å; I297-W308 VanDerWaalsContact CD1-CZ2 3.41Å; I297-W308 HydrophobicContact CD1-CZ3 3.84Å; I297-W308 HydrophobicContact CG1-CH2 4.05Å; I297-W308 HydrophobicContact CG1-CZ2 3.59Å; I297-W308 PolarHBondContact O-NE1 3.18Å; I297-I311 HydrophobicContact CB-CD1 4.4Å; I297-I311 HydrophobicContact CG2-CD1 3.51Å; I297-I317 HydrophobicContact CD1-CD1 3.88Å; I297-L319 HydrophobicContact CD1-CD1 3.67Å; I297-L319 HydrophobicContact CG1-CD1 3.88Å; I297-H560 HydrophobicContact CD1-CB 4.09Å; I297-H560 HydrophobicContact CG1-CB 4.2Å; I297-H560 HydrophobicContact CG2-CB 4.22Å; I297-T561 WeakPolarHBondContact CG1-O 3.42Å; I297-T561 PolarHBondContact N-O 3.31Å
298	T	85.5	Confident	64.7	Low	8 Å²	8	54.1 Å²	54.1	5%	0.049	28%	0.282	C	S	.	.			trans	-54.7	121.2	178.5	-57	0	0	0	0	112	L223 D296 L300 L562 D563 L566 Q567	L223-T298 HydrophobicContact CD1-CG2 4.28Å; D296-T298 VanDerWaalsContact OD1-CB 3.29Å; D296-T298 WeakPolarHBondContact OD1-CB 3.42Å; D296-T298 PolarHBondContact OD1-N 2.68Å; D296-T298 PolarHBondContact OD1-OG1 3.13Å; T298-L300 PolarHBondContact O-N 3.04Å; T298-L300 VanDerWaalsContact O-N 3.17Å; T298-L562 HydrophobicContact CG2-CD1 4.37Å; T298-D563 HydrophobicContact CG2-CB 3.78Å; T298-D563 VanDerWaalsContact OG1-CB 3.3Å; T298-D563 WeakPolarHBondContact OG1-CB 3.37Å; T298-D563 PolarHBondContact OG1-N 3.3Å; T298-L566 HydrophobicContact CG2-CB 3.91Å; T298-L566 HydrophobicContact CG2-CD1 4.1Å; T298-Q567 HydrophobicContact CG2-CB 4.41Å; T298-Q567 HydrophobicContact CG2-CG 3.8Å
299	P	79.4	Confident	66.2	Low	22 Å²	22	51.6 Å²	51.6	14%	0.143	26%	0.263	C	S	.	.			trans	-60.9	117.8	167.9	-25.6	36.1	0	0	0	111.3	I297 Q567 L570	I297-P299 WeakPolarHBondContact O-CD 3.46Å; P299-Q567 HydrophobicContact CB-CG 4.38Å; P299-Q567 WeakPolarHBondContact O-CG 3.29Å; P299-Q567 PolarHBondContact O-NE2 3.36Å; P299-L570 HydrophobicContact CG-CD2 3.72Å
300	L	68.7	Low	67.7	Low	29 Å²	29	54.5 Å²	54.5	15%	0.152	28%	0.277	C	S	.	.			trans	-71.2	-29.9	-174.9	-98.3	170.7	0	0	0	115.7	P154 V221 P222 L223 T298	P154-L300 HydrophobicContact CG-CD2 3.39Å; V221-L300 HydrophobicContact CG1-CD1 3.63Å; P222-L300 HydrophobicContact CG-CD1 4.11Å; L223-L300 HydrophobicContact CB-CD1 4.12Å; L223-L300 HydrophobicContact CB-CD2 4.4Å; L223-L300 HydrophobicContact CB-CG 4.22Å; L223-L300 HydrophobicContact CD1-CD1 4.31Å; L223-L300 HydrophobicContact CD1-CD2 3.4Å; L223-L300 HydrophobicContact CD1-CG 3.51Å; L223-L300 HydrophobicContact CD2-CD2 3.8Å; L223-L300 HydrophobicContact CG-CD1 3.79Å; L223-L300 HydrophobicContact CG-CD2 3.24Å; L223-L300 HydrophobicContact CG-CG 3.47Å; L223-L300 VanDerWaalsContact CG-CG 3.47Å; T298-L300 PolarHBondContact O-N 3.04Å; T298-L300 VanDerWaalsContact O-N 3.17Å
301	N	61.3	Low	69.4	Low	60 Å²	60	51.7 Å²	51.7	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-134.9	160.7	-173.7	-77.8	-42	0	0	0	108	R303	N301-R303 HydrophobicContact CB-CB 4.02Å; N301-R303 HydrophobicContact CB-CG 3.78Å; N301-R303 PolarHBondContact O-N 3.48Å
302	N	57.5	Low	70.8	Confident	161 Å²	161	52.2 Å²	52.2	86%	0.861	26%	0.261	S	S	*	.	S	Bend	trans	-64.7	19	165.4	-67.5	-23.4	0	0	0	113.2
303	R	56.7	Low	72	Confident	133 Å²	133	60.5 Å²	60.5	50%	0.502	29%	0.292	S	S	.	.	S	Bend	trans	-85	139.4	176.3	-67.9	179.1	-173.4	173.3	7.2	108.9	H135 N301 S305	H135-R303 PolarHBondContact ND1-NH2 3.38Å; N301-R303 HydrophobicContact CB-CB 4.02Å; N301-R303 HydrophobicContact CB-CG 3.78Å; N301-R303 PolarHBondContact O-N 3.48Å; R303-S305 PolarHBondContact O-N 3.39Å
304	R	57.2	Low	72.8	Confident	159 Å²	159	66.9 Å²	66.9	60%	0.6	32%	0.32	S	S	*	.			trans	-57.6	127.1	167.7	-76	-173.3	177.4	-179.5	5.7	109	S38	S38-R304 PolarHBondContact O-NH1 2.89Å; S38-R304 PolarHBondContact O-NH2 3.48Å
305	S	61.4	Low	73.7	Confident	59 Å²	59	68.3 Å²	68.3	41%	0.413	33%	0.328	S	S	.	.			trans	-119.8	126.6	175.2	-178.5	0	0	0	0	109	R303 L307	R303-S305 PolarHBondContact O-N 3.39Å; S305-L307 PolarHBondContact O-N 2.85Å; S305-L307 WeakPolarHBondContact OG-CB 3.49Å; S305-L307 PolarHBondContact OG-N 2.52Å; S305-L307 VanDerWaalsContact OG-N 3.17Å
306	N	66.7	Low	74.5	Confident	114 Å²	114	67.5 Å²	67.5	61%	0.61	32%	0.323	S	S	*	.	S	Bend	trans	-78.2	0.5	170.4	-68.8	-26.8	0	0	0	112.2	W308 N309 N310	N306-W308 VanDerWaalsContact C-N 3.33Å; N306-W308 PolarHBondContact O-N 3.31Å; N306-N309 PolarHBondContact O-N 3.38Å; N306-N310 PolarHBondContact O-N 3.07Å; N306-N310 VanDerWaalsContact O-N 3.13Å
307	L	70.4	Confident	75	Confident	52 Å²	52	67.1 Å²	67.1	27%	0.272	32%	0.321	S	S	.	.	H	α-helix	trans	-54.9	-49.2	179.8	-178.6	67.1	0	0	0	111.3	S305 N309 N310 I311	S305-L307 PolarHBondContact O-N 2.85Å; S305-L307 WeakPolarHBondContact OG-CB 3.49Å; S305-L307 PolarHBondContact OG-N 2.52Å; S305-L307 VanDerWaalsContact OG-N 3.17Å; L307-N309 PolarHBondContact O-N 2.87Å; L307-N310 PolarHBondContact O-N 3.12Å; L307-I311 HydrophobicContact CD1-CD1 3.73Å; L307-I311 HydrophobicContact CD1-CG1 4.36Å; L307-I311 HydrophobicContact CD2-CD1 4.45Å; L307-I311 HydrophobicContact CG-CD1 3.75Å; L307-I311 WeakPolarHBondContact O-CG1 3.43Å; L307-I311 PolarHBondContact O-N 2.98Å
308	W	75.7	Confident	75.5	Confident	29 Å²	29	67 Å²	67	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-41.1	-177.7	-80.8	72.2	0	0	0	112.3	I297 N306 N310 I311 L312 L319 L562 L570 I574 I594	I297-W308 HydrophobicContact CB-CZ2 4.33Å; I297-W308 HydrophobicContact CD1-CD2 4.28Å; I297-W308 HydrophobicContact CD1-CE3 4.25Å; I297-W308 HydrophobicContact CD1-CH2 3.43Å; I297-W308 VanDerWaalsContact CD1-CH2 3.43Å; I297-W308 HydrophobicContact CD1-CZ2 3.41Å; I297-W308 VanDerWaalsContact CD1-CZ2 3.41Å; I297-W308 HydrophobicContact CD1-CZ3 3.84Å; I297-W308 HydrophobicContact CG1-CH2 4.05Å; I297-W308 HydrophobicContact CG1-CZ2 3.59Å; I297-W308 PolarHBondContact O-NE1 3.18Å; N306-W308 VanDerWaalsContact C-N 3.33Å; N306-W308 PolarHBondContact O-N 3.31Å; W308-N310 PolarHBondContact O-N 3.4Å; W308-I311 PolarHBondContact O-N 3.29Å; W308-L312 HydrophobicContact CE3-CD1 3.65Å; W308-L312 HydrophobicContact CE3-CD2 4.23Å; W308-L312 HydrophobicContact CE3-CG 3.96Å; W308-L312 HydrophobicContact CZ3-CD1 4.26Å; W308-L312 HydrophobicContact CZ3-CD2 4.36Å; W308-L312 VanDerWaalsContact O-CB 3.31Å; W308-L312 WeakPolarHBondContact O-CB 3.29Å; W308-L312 WeakPolarHBondContact O-CG 3.49Å; W308-L312 PolarHBondContact O-N 3.38Å; W308-L319 HydrophobicContact CH2-CD2 3.81Å; W308-L319 HydrophobicContact CZ3-CD2 4.43Å; W308-L562 HydrophobicContact CH2-CD2 4.45Å; W308-L562 HydrophobicContact CZ2-CD1 4.18Å; W308-L570 HydrophobicContact CZ2-CD2 4Å; W308-I574 HydrophobicContact CE3-CD1 4.05Å; W308-I574 HydrophobicContact CH2-CD1 3.57Å; W308-I574 HydrophobicContact CZ2-CD1 4.44Å; W308-I574 HydrophobicContact CZ3-CD1 3.35Å; W308-I594 HydrophobicContact CZ3-CD1 4.39Å
309	N	76.8	Confident	75.9	Confident	75 Å²	75	66.7 Å²	66.7	40%	0.401	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-37.4	174.8	-78.6	-25.1	0	0	0	112.1	N306 L307 R313	N306-N309 PolarHBondContact O-N 3.38Å; L307-N309 PolarHBondContact O-N 2.87Å; N309-R313 WeakPolarHBondContact O-CB 3.21Å; N309-R313 WeakPolarHBondContact O-CG 3.38Å
310	N	75.5	Confident	76.6	Confident	105 Å²	105	65.7 Å²	65.7	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-77.8	-30.2	-179.6	-72.5	-10.4	0	0	0	113.4	N306 L307 W308 K314	N306-N310 PolarHBondContact O-N 3.07Å; N306-N310 VanDerWaalsContact O-N 3.13Å; L307-N310 PolarHBondContact O-N 3.12Å; W308-N310 PolarHBondContact O-N 3.4Å; N310-K314 WeakPolarHBondContact O-CD 3.5Å; N310-K314 WeakPolarHBondContact O-CE 3.35Å; N310-K314 WeakPolarHBondContact O-CG 3.46Å
311	I	79.4	Confident	77.8	Confident	22 Å²	22	64.3 Å²	64.3	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-81.1	-56	179.1	-66	175.1	0	0	0	109.8	I297 L307 W308 R313 K314 I317	I297-I311 HydrophobicContact CB-CD1 4.4Å; I297-I311 HydrophobicContact CG2-CD1 3.51Å; L307-I311 HydrophobicContact CD1-CD1 3.73Å; L307-I311 HydrophobicContact CD1-CG1 4.36Å; L307-I311 HydrophobicContact CD2-CD1 4.45Å; L307-I311 HydrophobicContact CG-CD1 3.75Å; L307-I311 WeakPolarHBondContact O-CG1 3.43Å; L307-I311 PolarHBondContact O-N 2.98Å; W308-I311 PolarHBondContact O-N 3.29Å; I311-R313 VanDerWaalsContact C-N 3.28Å; I311-R313 PolarHBondContact O-N 3.5Å; I311-K314 PolarHBondContact O-N 3.09Å; I311-I317 HydrophobicContact CG2-CG2 4.19Å
312	L	83.5	Confident	79.2	Confident	22 Å²	22	61.5 Å²	61.5	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-26.3	-173.1	-66.4	-176.4	0	0	0	114.1	W308 K314 I317 I594 M596	W308-L312 HydrophobicContact CE3-CD1 3.65Å; W308-L312 HydrophobicContact CE3-CD2 4.23Å; W308-L312 HydrophobicContact CE3-CG 3.96Å; W308-L312 HydrophobicContact CZ3-CD1 4.26Å; W308-L312 HydrophobicContact CZ3-CD2 4.36Å; W308-L312 VanDerWaalsContact O-CB 3.31Å; W308-L312 WeakPolarHBondContact O-CB 3.29Å; W308-L312 WeakPolarHBondContact O-CG 3.49Å; W308-L312 PolarHBondContact O-N 3.38Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.12Å; L312-I317 HydrophobicContact CD2-CD1 3.4Å; L312-I317 VanDerWaalsContact CD2-CD1 3.4Å; L312-I317 HydrophobicContact CD2-CG1 3.74Å; L312-I594 HydrophobicContact CD2-CB 4.35Å; L312-I594 HydrophobicContact CD2-CD1 4.42Å; L312-I594 HydrophobicContact CD2-CG2 3.9Å; L312-M596 HydrophobicContact CB-CB 4.29Å; L312-M596 HydrophobicContact CB-CE 3.48Å; L312-M596 VanDerWaalsContact CB-CE 3.48Å; L312-M596 HydrophobicContact CB-SD 3.61Å; L312-M596 HydrophobicContact CD1-SD 4Å; L312-M596 HydrophobicContact CG-SD 4.5Å; L312-M596 WeakPolarHBondContact O-CE 3.12Å
313	R	82.3	Confident	80.7	Confident	177 Å²	177	54.8 Å²	54.8	67%	0.668	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-23.3	-178.1	-80.4	-175.5	-178.9	-163.8	-1.9	113.3	N309 I311 M596	N309-R313 WeakPolarHBondContact O-CB 3.21Å; N309-R313 WeakPolarHBondContact O-CG 3.38Å; I311-R313 VanDerWaalsContact C-N 3.28Å; I311-R313 PolarHBondContact O-N 3.5Å; R313-M596 HydrophobicContact CB-CE 3.84Å; R313-M596 HydrophobicContact CG-CE 3.12Å
314	K	81.8	Confident	82.2	Confident	147 Å²	147	49.3 Å²	49.3	64%	0.639	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-53.9	-169.1	-68.7	-179	179.1	-172.7	0	111.7	N310 I311 L312 Q597	N310-K314 WeakPolarHBondContact O-CD 3.5Å; N310-K314 WeakPolarHBondContact O-CE 3.35Å; N310-K314 WeakPolarHBondContact O-CG 3.46Å; I311-K314 PolarHBondContact O-N 3.09Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.12Å; K314-Q597 PolarHBondContact O-NE2 3.19Å
315	T	85.6	Confident	83.7	Confident	31 Å²	31	41.8 Å²	41.8	19%	0.19	21%	0.207	C	C	.	.	S	Bend	trans	-147	156.4	-173.1	52.3	0	0	0	0	109.9	E558	T315-E558 WeakPolarHBondContact OG1-CG 3.11Å
316	P	92.8	Very high	84.9	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.019	19%	0.189	C	C	.	.			trans	-58.9	145.2	167.2	-21.7	34.1	0	0	0	110.7	R555 L557 E558 I594 D595 F620	P316-R555 HydrophobicContact CG-CG 4.12Å; P316-L557 HydrophobicContact CB-CD2 3.72Å; P316-L557 WeakPolarHBondContact O-CA 2.9Å; P316-E558 PolarHBondContact O-N 2.89Å; P316-E558 VanDerWaalsContact O-N 3.1Å; P316-I594 VanDerWaalsContact CA-O 3.28Å; P316-I594 WeakPolarHBondContact CA-O 3.46Å; P316-D595 HydrophobicContact CB-CB 4.23Å; P316-D595 HydrophobicContact CG-CB 4.36Å; P316-F620 HydrophobicContact CB-CE1 4.39Å; P316-F620 HydrophobicContact CB-CZ 3.81Å; P316-F620 HydrophobicContact CG-CZ 4.07Å
317	I	92.7	Very high	85.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.2	-179.6	69.5	164	0	0	0	111.8	I297 I311 L312 L319 E558 I593 I594	I297-I317 HydrophobicContact CD1-CD1 3.88Å; I311-I317 HydrophobicContact CG2-CG2 4.19Å; L312-I317 HydrophobicContact CD2-CD1 3.4Å; L312-I317 VanDerWaalsContact CD2-CD1 3.4Å; L312-I317 HydrophobicContact CD2-CG1 3.74Å; I317-L319 HydrophobicContact CD1-CB 4.41Å; I317-E558 CarbonylContact C-O 3.25Å; I317-E558 WeakPolarHBondContact CA-O 3.2Å; I317-E558 HydrophobicContact CG2-CB 4.17Å; I317-I593 CarbonylContact O-C 3.55Å; I317-I593 VanDerWaalsContact O-CA 3.27Å; I317-I593 WeakPolarHBondContact O-CA 3.38Å; I317-I594 HydrophobicContact CD1-CD1 4.07Å; I317-I594 HydrophobicContact CG1-CB 3.92Å; I317-I594 HydrophobicContact CG1-CD1 4.12Å; I317-I594 HydrophobicContact CG1-CG1 4.43Å; I317-I594 PolarHBondContact N-O 2.83Å; I317-I594 PolarHBondContact O-N 2.78Å
318	L	94.6	Very high	86.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.5	160	179.6	69.9	0	0	0	108.2	L338 E558 F559 H560 A591 I593 L613 F616 I617	L318-L338 HydrophobicContact CD2-CD2 4.37Å; L318-E558 PolarHBondContact N-O 3.31Å; L318-F559 HydrophobicContact CB-CD1 4.47Å; L318-F559 HydrophobicContact CD2-CD1 3.64Å; L318-F559 HydrophobicContact CD2-CE1 3.57Å; L318-H560 PolarHBondContact O-N 3.05Å; L318-A591 HydrophobicContact CD1-CB 4.47Å; L318-I593 HydrophobicContact CD1-CD1 4.36Å; L318-I593 HydrophobicContact CD1-CG1 3.69Å; L318-L613 HydrophobicContact CD1-CD2 4.4Å; L318-F616 HydrophobicContact CD1-CD1 4.11Å; L318-F616 HydrophobicContact CD1-CE1 4.08Å; L318-I617 HydrophobicContact CD2-CD1 3.97Å; L318-I617 HydrophobicContact CD2-CG1 4.33Å
319	L	94.1	Very high	87.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.5	-180	-171.9	63.6	0	0	0	110.2	I297 W308 I317 I321 H560 L562 I574 A591 A592 I594	I297-L319 HydrophobicContact CD1-CD1 3.67Å; I297-L319 HydrophobicContact CG1-CD1 3.88Å; W308-L319 HydrophobicContact CH2-CD2 3.81Å; W308-L319 HydrophobicContact CZ3-CD2 4.43Å; I317-L319 HydrophobicContact CD1-CB 4.41Å; L319-I321 HydrophobicContact CD2-CD1 4.19Å; L319-I321 HydrophobicContact CD2-CG1 4.05Å; L319-I321 HydrophobicContact CG-CD1 4.48Å; L319-I321 HydrophobicContact CG-CG1 3.92Å; L319-H560 HydrophobicContact CD1-CB 3.8Å; L319-L562 HydrophobicContact CD1-CB 3.86Å; L319-L562 HydrophobicContact CD2-CB 3.94Å; L319-L562 HydrophobicContact CD2-CD2 4Å; L319-L562 HydrophobicContact CG-CB 4.01Å; L319-I574 HydrophobicContact CD2-CG2 4.37Å; L319-A591 VanDerWaalsContact O-CA 3.32Å; L319-A591 WeakPolarHBondContact O-CA 3.3Å; L319-A592 PolarHBondContact N-O 3.08Å; L319-A592 PolarHBondContact O-N 3.48Å; L319-I594 HydrophobicContact CB-CD1 4.3Å; L319-I594 HydrophobicContact CD2-CD1 3.86Å
320	L	94	Very high	87.7	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.5	169.1	-176	71.3	0	0	0	109.3	M325 P334 L338 H560 T561 L562 W589 V608	L320-M325 HydrophobicContact CD2-CE 3.89Å; L320-M325 HydrophobicContact CD2-SD 4.29Å; L320-M325 HydrophobicContact CG-CE 3.98Å; L320-P334 HydrophobicContact CD2-CB 3.76Å; L320-L338 HydrophobicContact CB-CD1 4.04Å; L320-L338 HydrophobicContact CB-CD2 4.24Å; L320-L338 HydrophobicContact CD2-CD1 3.95Å; L320-L338 HydrophobicContact CD2-CD2 4.38Å; L320-L338 HydrophobicContact CD2-CG 4.07Å; L320-H560 PolarHBondContact N-O 2.9Å; L320-T561 HydrophobicContact CB-CG2 4.21Å; L320-T561 HydrophobicContact CD2-CG2 4.39Å; L320-T561 CarbonylContact O-C 3.59Å; L320-T561 VanDerWaalsContact O-CA 3.24Å; L320-T561 WeakPolarHBondContact O-CA 3.27Å; L320-L562 PolarHBondContact O-N 3.08Å; L320-W589 HydrophobicContact CD1-CB 4.27Å; L320-V608 HydrophobicContact CD1-CG1 3.79Å; L320-V608 HydrophobicContact CD1-CG2 4.25Å
321	I	93.3	Very high	88.3	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.4	-173.1	-53	173.8	0	0	0	108.5	L319 L562 A571 Y577 W589 G590 A592	L319-I321 HydrophobicContact CD2-CD1 4.19Å; L319-I321 HydrophobicContact CD2-CG1 4.05Å; L319-I321 HydrophobicContact CG-CD1 4.48Å; L319-I321 HydrophobicContact CG-CG1 3.92Å; I321-L562 WeakPolarHBondContact CA-O 3.11Å; I321-L562 HydrophobicContact CG1-CB 4.3Å; I321-L562 HydrophobicContact CG1-CD2 4.36Å; I321-L562 HydrophobicContact CG2-CD2 4.37Å; I321-A571 HydrophobicContact CG2-CB 3.74Å; I321-Y577 HydrophobicContact CB-CD2 4.36Å; I321-Y577 HydrophobicContact CB-CG 4.29Å; I321-Y577 HydrophobicContact CG2-CD1 3.78Å; I321-Y577 HydrophobicContact CG2-CD2 4.13Å; I321-Y577 HydrophobicContact CG2-CE1 4.42Å; I321-Y577 HydrophobicContact CG2-CG 3.63Å; I321-W589 WeakPolarHBondContact O-CA 3.27Å; I321-G590 PolarHBondContact N-O 3.15Å; I321-G590 PolarHBondContact O-N 2.99Å; I321-A592 HydrophobicContact CD1-CB 4.39Å
322	G	90.4	Very high	88.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	168.2	178.3	0	0	0	0	0	112.7	M325 L562 D563 S564	G322-M325 VanDerWaalsContact O-CG 3.28Å; G322-M325 WeakPolarHBondContact O-CG 3.16Å; G322-L562 PolarHBondContact N-O 2.97Å; G322-L562 VanDerWaalsContact N-O 3.1Å; G322-D563 CarbonylContact O-C 3.55Å; G322-D563 WeakPolarHBondContact O-CA 3.28Å; G322-S564 PolarHBondContact O-N 3.43Å; G322-S564 PolarHBondContact O-OG 3.49Å
323	P	89.2	Confident	88.9	Confident	20 Å²	20	24 Å²	24	13%	0.13	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	145.2	-178.7	30.7	-35.5	0	0	0	110.2	M325 S564 H565	P323-M325 PolarHBondContact O-N 3.41Å; P323-S564 WeakPolarHBondContact CA-OG 3.49Å; P323-H565 HydrophobicContact CB-CB 4.34Å
324	H	88.5	Confident	89.1	Confident	18 Å²	18	15.7 Å²	15.7	8%	0.083	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	16.8	171.5	-51.1	-64.5	0	0	0	115.4	S326 L327 A328 L516 V517 D563 H565	H324-S326 PolarHBondContact O-N 2.88Å; H324-S326 VanDerWaalsContact O-N 3.1Å; H324-L327 HydrophobicContact CB-CD1 4.16Å; H324-L327 WeakPolarHBondContact O-CA 3.08Å; H324-L327 WeakPolarHBondContact O-CB 3.49Å; H324-L327 PolarHBondContact O-N 3.19Å; H324-A328 PolarHBondContact O-N 3.07Å; H324-L516 HydrophobicContact CB-CB 4.45Å; H324-V517 HydrophobicContact CB-CG2 4.29Å; H324-D563 WeakPolarHBondContact CA-OD2 3.39Å; H324-D563 PolarHBondContact N-OD1 2.51Å; H324-D563 VanDerWaalsContact N-OD1 3.15Å; H324-D563 PolarHBondContact N-OD2 3.02Å; H324-H565 AromaticContact CE1-CD2 3.6Å; H324-H565 AromaticContact CE1-CG 3.59Å; H324-H565 AromaticContact CE1-ND1 3.91Å; H324-H565 AromaticContact CE1-NE2 3.95Å
325	M	88.8	Confident	89.5	Confident	2 Å²	2	8.7 Å²	8.7	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.9	175.8	-70.5	-70.6	175.9	0	0	113.3	K227 L320 G322 P323 L327 A328 P334 T561 D563 W589	K227-M325 PolarHBondContact NZ-O 2.82Å; L320-M325 HydrophobicContact CD2-CE 3.89Å; L320-M325 HydrophobicContact CD2-SD 4.29Å; L320-M325 HydrophobicContact CG-CE 3.98Å; G322-M325 VanDerWaalsContact O-CG 3.28Å; G322-M325 WeakPolarHBondContact O-CG 3.16Å; P323-M325 PolarHBondContact O-N 3.41Å; M325-L327 VanDerWaalsContact C-N 3.27Å; M325-L327 PolarHBondContact O-N 3.38Å; M325-A328 WeakPolarHBondContact O-CB 3.4Å; M325-A328 PolarHBondContact O-N 3.39Å; M325-P334 HydrophobicContact CE-CB 3.76Å; M325-P334 HydrophobicContact CE-CG 4.26Å; M325-P334 HydrophobicContact SD-CB 3.71Å; M325-P334 HydrophobicContact SD-CG 3.95Å; M325-T561 HydrophobicContact SD-CG2 4.23Å; M325-D563 HydrophobicContact CB-CB 4.28Å; M325-D563 PolarHBondContact N-OD2 3.04Å; M325-D563 VanDerWaalsContact N-OD2 3.14Å; M325-W589 HydrophobicContact CE-CD2 4Å; M325-W589 HydrophobicContact CE-CG 3.74Å
326	S	86.9	Confident	89.7	Confident	4 Å²	4	7.2 Å²	7.2	3%	0.028	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25	174.6	63	0	0	0	0	113.6	H159 D296 H324 D563 L566	H159-S326 PolarHBondContact CE1-OG 2.88Å; H159-S326 VanDerWaalsContact CE1-OG 3.28Å; H159-S326 PolarHBondContact NE2-OG 3.26Å; D296-S326 WeakPolarHBondContact OD2-CA 3.48Å; D296-S326 VanDerWaalsContact OD2-CB 3.26Å; D296-S326 WeakPolarHBondContact OD2-CB 3.25Å; H324-S326 PolarHBondContact O-N 2.88Å; H324-S326 VanDerWaalsContact O-N 3.1Å; S326-D563 VanDerWaalsContact CB-OD2 3.26Å; S326-D563 WeakPolarHBondContact CB-OD2 3.23Å; S326-D563 PolarHBondContact N-OD2 3.22Å; S326-D563 PolarHBondContact OG-OD2 2.85Å; S326-L566 WeakPolarHBondContact OG-CD1 3.33Å
327	L	88.1	Confident	89.5	Confident	2 Å²	2	7 Å²	7	1%	0.01	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-14.1	177.3	-61.8	174.7	0	0	0	113.1	S158 K162 H324 M325 E329 V513 V517	S158-L327 VanDerWaalsContact CB-CD1 3.4Å; K162-L327 HydrophobicContact CB-CD2 4.45Å; K162-L327 HydrophobicContact CD-CD2 3.79Å; K162-L327 VanDerWaalsContact NZ-C 3.28Å; K162-L327 PolarHBondContact NZ-O 2.9Å; H324-L327 HydrophobicContact CB-CD1 4.16Å; H324-L327 WeakPolarHBondContact O-CA 3.08Å; H324-L327 WeakPolarHBondContact O-CB 3.49Å; H324-L327 PolarHBondContact O-N 3.19Å; M325-L327 VanDerWaalsContact C-N 3.27Å; M325-L327 PolarHBondContact O-N 3.38Å; L327-E329 PolarHBondContact O-N 3.09Å; L327-V513 HydrophobicContact CB-CG1 4.24Å; L327-V513 HydrophobicContact CD1-CG1 4.5Å; L327-V513 HydrophobicContact CD2-CG1 4.49Å; L327-V517 HydrophobicContact CB-CG2 3.73Å
328	A	88.5	Confident	89.4	Confident	1 Å²	1	7 Å²	7	1%	0.008	4%	0.038	C	C	.	.			trans	-61.9	131.5	-178	0	0	0	0	0	113.3	K227 H324 M325 D332 L335 V517	K227-A328 WeakPolarHBondContact CE-O 3.48Å; H324-A328 PolarHBondContact O-N 3.07Å; M325-A328 WeakPolarHBondContact O-CB 3.4Å; M325-A328 PolarHBondContact O-N 3.39Å; A328-D332 HydrophobicContact CB-CB 4.37Å; A328-L335 HydrophobicContact CB-CD1 3.95Å; A328-L335 HydrophobicContact CB-CG 3.99Å; A328-V517 HydrophobicContact CB-CG1 3.82Å
329	E	86.7	Confident	89.1	Confident	50 Å²	50	7.1 Å²	7.1	23%	0.234	4%	0.038	C	C	.	.			trans	-83.5	157.9	168.5	-67.8	-151.6	156.1	0	0	111.8	K172 L327 M331 D332 L335	K172-E329 IonicContact NZ-OE2 3.46Å; L327-E329 PolarHBondContact O-N 3.09Å; E329-M331 PolarHBondContact O-N 3.46Å; E329-D332 PolarHBondContact N-OD2 3.42Å; E329-D332 WeakPolarHBondContact O-CB 3.4Å; E329-D332 PolarHBondContact O-N 3.32Å; E329-L335 WeakPolarHBondContact O-CD1 3.35Å
330	P	85.3	Confident	88.8	Confident	16 Å²	16	7.1 Å²	7.1	10%	0.104	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.8	-170	-25.6	34.3	0	0	0	116.7	K339	P330-K339 VanDerWaalsContact CB-NZ 3.28Å; P330-K339 VanDerWaalsContact O-CE 3.25Å; P330-K339 WeakPolarHBondContact O-CE 3.15Å; P330-K339 PolarHBondContact O-NZ 3.32Å
331	M	87.4	Confident	88.6	Confident	13 Å²	13	7 Å²	7	6%	0.064	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	0.5	177.2	-71.8	-60.3	100.3	0	0	113.2	L182 S186 E329 K339 L376 A380 T383	L182-M331 HydrophobicContact CD1-CE 4.21Å; L182-M331 HydrophobicContact CD1-CG 4.18Å; L182-M331 HydrophobicContact CD1-SD 3.65Å; S186-M331 WeakPolarHBondContact OG-CE 3.38Å; E329-M331 PolarHBondContact O-N 3.46Å; M331-K339 HydrophobicContact CE-CD 3.72Å; M331-L376 HydrophobicContact CE-CD2 3.62Å; M331-L376 HydrophobicContact SD-CD2 4.27Å; M331-A380 HydrophobicContact SD-CB 4.45Å; M331-T383 HydrophobicContact CB-CG2 4.26Å; M331-T383 WeakPolarHBondContact CB-OG1 3.45Å
332	D	88.3	Confident	88.3	Confident	4 Å²	4	7.9 Å²	7.9	2%	0.021	4%	0.041	C	C	.	.	S	Bend	trans	-64.8	149	170.3	-72.7	-32.3	0	0	0	109.8	A328 E329 P334 L335 Y336 R387 V517 N518	A328-D332 HydrophobicContact CB-CB 4.37Å; E329-D332 PolarHBondContact N-OD2 3.42Å; E329-D332 WeakPolarHBondContact O-CB 3.4Å; E329-D332 PolarHBondContact O-N 3.32Å; D332-P334 VanDerWaalsContact C-CD 3.43Å; D332-P334 VanDerWaalsContact O-N 3.15Å; D332-L335 PolarHBondContact O-N 3.46Å; D332-Y336 WeakPolarHBondContact O-CB 2.89Å; D332-Y336 PolarHBondContact O-N 3.02Å; D332-R387 IonicContact OD1-CZ 2.63Å; D332-R387 IonicContact OD1-NE 3.76Å; D332-V517 HydrophobicContact CB-CG1 4.09Å; D332-N518 PolarHBondContact OD1-ND2 3.49Å
333	L	87.1	Confident	88.1	Confident	15 Å²	15	7.9 Å²	7.9	8%	0.079	4%	0.041	C	C	.	.	H	α-helix	trans	-49	-45.6	-168.9	-176.3	66.3	0	0	0	114.4	L335 Y336 L337 D530 Y587 W589	L333-L335 PolarHBondContact O-N 2.92Å; L333-Y336 HydrophobicContact CD1-CD1 4.49Å; L333-Y336 PolarHBondContact O-N 2.9Å; L333-L337 VanDerWaalsContact O-CB 3.32Å; L333-L337 WeakPolarHBondContact O-CB 3.12Å; L333-L337 PolarHBondContact O-N 3.35Å; L333-D530 HydrophobicContact CD1-CB 4.24Å; L333-D530 HydrophobicContact CD2-CB 4.32Å; L333-D530 WeakPolarHBondContact CD2-OD2 3.4Å; L333-Y587 HydrophobicContact CD2-CD1 3.89Å; L333-Y587 HydrophobicContact CD2-CE1 3.39Å; L333-W589 HydrophobicContact CB-CH2 3.91Å; L333-W589 HydrophobicContact CD2-CH2 3.7Å; L333-W589 HydrophobicContact CD2-CZ3 4.23Å; L333-W589 HydrophobicContact CG-CH2 3.66Å; L333-W589 HydrophobicContact CG-CZ3 4.12Å
334	P	87.9	Confident	88.1	Confident	1 Å²	1	7 Å²	7	1%	0.006	4%	0.035	C	C	.	.	H	α-helix	trans	-67.5	-37	-179.2	17.6	-21.4	0	0	0	113.4	L320 M325 D332 L338 V517 W589	L320-P334 HydrophobicContact CD2-CB 3.76Å; M325-P334 HydrophobicContact CE-CB 3.76Å; M325-P334 HydrophobicContact CE-CG 4.26Å; M325-P334 HydrophobicContact SD-CB 3.71Å; M325-P334 HydrophobicContact SD-CG 3.95Å; D332-P334 VanDerWaalsContact C-CD 3.43Å; D332-P334 VanDerWaalsContact O-N 3.15Å; P334-L338 WeakPolarHBondContact O-CG 3.22Å; P334-L338 PolarHBondContact O-N 2.81Å; P334-V517 HydrophobicContact CG-CG1 4.41Å; P334-W589 HydrophobicContact CB-CD2 4.29Å; P334-W589 HydrophobicContact CB-CE3 4.29Å; P334-W589 HydrophobicContact CB-CH2 3.61Å; P334-W589 HydrophobicContact CB-CZ2 3.59Å; P334-W589 HydrophobicContact CB-CZ3 3.96Å; P334-W589 VanDerWaalsContact CD-CZ2 3.48Å; P334-W589 HydrophobicContact CG-CH2 3.76Å; P334-W589 HydrophobicContact CG-CZ2 3.45Å; P334-W589 VanDerWaalsContact CG-CZ2 3.45Å
335	L	89.3	Confident	88.1	Confident	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-77.2	-37.7	177.6	-64	-170.7	0	0	0	111.6	P294 A328 E329 D332 L333 L338 K339 T561	P294-L335 HydrophobicContact CB-CD2 4.27Å; A328-L335 HydrophobicContact CB-CD1 3.95Å; A328-L335 HydrophobicContact CB-CG 3.99Å; E329-L335 WeakPolarHBondContact O-CD1 3.35Å; D332-L335 PolarHBondContact O-N 3.46Å; L333-L335 PolarHBondContact O-N 2.92Å; L335-L338 HydrophobicContact CD2-CD1 4.5Å; L335-L338 PolarHBondContact O-N 3.28Å; L335-K339 WeakPolarHBondContact O-CG 3.35Å; L335-K339 PolarHBondContact O-N 3.01Å; L335-T561 HydrophobicContact CD2-CG2 3.67Å
336	Y	89.3	Confident	87.9	Confident	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.7	-44.1	173.2	168.3	-109	0	0	0	111.7	D332 L333 L338 K339 L340 L376 N377 A380 I532 L533	D332-Y336 WeakPolarHBondContact O-CB 2.89Å; D332-Y336 PolarHBondContact O-N 3.02Å; L333-Y336 HydrophobicContact CD1-CD1 4.49Å; L333-Y336 PolarHBondContact O-N 2.9Å; Y336-L338 VanDerWaalsContact C-N 3.34Å; Y336-L338 PolarHBondContact O-N 3.17Å; Y336-K339 WeakPolarHBondContact O-CA 3.44Å; Y336-K339 WeakPolarHBondContact O-CB 3.48Å; Y336-K339 PolarHBondContact O-N 3.31Å; Y336-L340 HydrophobicContact CD1-CD1 4.24Å; Y336-L340 HydrophobicContact CD2-CG 4.41Å; Y336-L340 HydrophobicContact CE1-CD1 3.59Å; Y336-L340 HydrophobicContact CE1-CG 4.21Å; Y336-L340 HydrophobicContact CE2-CD1 4.19Å; Y336-L340 HydrophobicContact CE2-CD2 3.9Å; Y336-L340 HydrophobicContact CE2-CG 3.96Å; Y336-L340 PolarHBondContact O-N 2.87Å; Y336-L376 HydrophobicContact CD2-CB 4.5Å; Y336-L376 HydrophobicContact CE2-CB 4.06Å; Y336-N377 PolarHBondContact OH-OD1 3.37Å; Y336-A380 HydrophobicContact CD1-CB 4.06Å; Y336-A380 HydrophobicContact CD2-CB 3.62Å; Y336-A380 HydrophobicContact CE1-CB 4.15Å; Y336-A380 HydrophobicContact CE2-CB 3.73Å; Y336-A380 HydrophobicContact CG-CB 3.79Å; Y336-I532 HydrophobicContact CE1-CG2 4.02Å; Y336-L533 HydrophobicContact CD1-CD2 4.08Å; Y336-L533 HydrophobicContact CE1-CD2 3.7Å
337	L	89.4	Confident	87.4	Confident	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.8	-45.9	174.8	176.1	59	0	0	0	112.2	L333 K339 L340 L341 I532 V608 Y610 L613	L333-L337 VanDerWaalsContact O-CB 3.32Å; L333-L337 WeakPolarHBondContact O-CB 3.12Å; L333-L337 PolarHBondContact O-N 3.35Å; L337-K339 VanDerWaalsContact C-N 3.3Å; L337-K339 PolarHBondContact O-N 2.85Å; L337-L340 PolarHBondContact O-N 2.74Å; L337-L341 HydrophobicContact CD1-CD1 4.4Å; L337-L341 HydrophobicContact CG-CD1 4.3Å; L337-L341 WeakPolarHBondContact O-CG 3.48Å; L337-L341 PolarHBondContact O-N 2.95Å; L337-I532 HydrophobicContact CD1-CD1 4.42Å; L337-V608 HydrophobicContact CD2-CG1 3.88Å; L337-Y610 HydrophobicContact CD1-CD2 4.23Å; L337-L613 HydrophobicContact CD2-CD1 3.89Å; L337-L613 HydrophobicContact CG-CD1 4.22Å
338	L	90.2	Very high	86.5	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.7	-32.5	176.3	-67	177.5	0	0	0	112.5	P294 L318 L320 P334 L335 Y336 L341 K342 F559 T561	P294-L338 HydrophobicContact CB-CB 4.16Å; P294-L338 HydrophobicContact CB-CD1 3.69Å; P294-L338 HydrophobicContact CG-CB 3.53Å; P294-L338 HydrophobicContact CG-CD1 4.02Å; P294-L338 HydrophobicContact CG-CG 4.45Å; L318-L338 HydrophobicContact CD2-CD2 4.37Å; L320-L338 HydrophobicContact CB-CD1 4.04Å; L320-L338 HydrophobicContact CB-CD2 4.24Å; L320-L338 HydrophobicContact CD2-CD1 3.95Å; L320-L338 HydrophobicContact CD2-CD2 4.38Å; L320-L338 HydrophobicContact CD2-CG 4.07Å; P334-L338 WeakPolarHBondContact O-CG 3.22Å; P334-L338 PolarHBondContact O-N 2.81Å; L335-L338 HydrophobicContact CD2-CD1 4.5Å; L335-L338 PolarHBondContact O-N 3.28Å; Y336-L338 VanDerWaalsContact C-N 3.34Å; Y336-L338 PolarHBondContact O-N 3.17Å; L338-L341 HydrophobicContact CD2-CD1 4.34Å; L338-K342 VanDerWaalsContact O-CB 3.27Å; L338-K342 WeakPolarHBondContact O-CB 3.44Å; L338-K342 PolarHBondContact O-N 3.49Å; L338-F559 HydrophobicContact CD2-CD1 4.1Å; L338-T561 HydrophobicContact CD1-CG2 3.63Å
339	K	87.7	Confident	85.4	Confident	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-66.4	-42.9	173.6	-70.3	178.2	176	-175.1	0	111.8	S186 F292 P330 M331 L335 Y336 L337 K342 L343 L376	S186-K339 PolarHBondContact OG-NZ 3.49Å; F292-K339 HydrophobicContact CB-CG 4.11Å; F292-K339 WeakPolarHBondContact O-CE 3.5Å; P330-K339 VanDerWaalsContact CB-NZ 3.28Å; P330-K339 VanDerWaalsContact O-CE 3.25Å; P330-K339 WeakPolarHBondContact O-CE 3.15Å; P330-K339 PolarHBondContact O-NZ 3.32Å; M331-K339 HydrophobicContact CE-CD 3.72Å; L335-K339 WeakPolarHBondContact O-CG 3.35Å; L335-K339 PolarHBondContact O-N 3.01Å; Y336-K339 WeakPolarHBondContact O-CA 3.44Å; Y336-K339 WeakPolarHBondContact O-CB 3.48Å; Y336-K339 PolarHBondContact O-N 3.31Å; L337-K339 VanDerWaalsContact C-N 3.3Å; L337-K339 PolarHBondContact O-N 2.85Å; K339-K342 PolarHBondContact O-N 2.81Å; K339-L343 WeakPolarHBondContact O-CB 3.42Å; K339-L343 PolarHBondContact O-N 3.5Å; K339-L376 HydrophobicContact CB-CD1 4.49Å; K339-L376 HydrophobicContact CD-CD2 4.09Å
340	L	88.8	Confident	84.1	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.6	-47.1	174.8	-68.3	179.8	0	0	0	111.6	Y336 L337 K342 L343 S344 L373 I532 T536 L541 Y610	Y336-L340 HydrophobicContact CD1-CD1 4.24Å; Y336-L340 HydrophobicContact CD2-CG 4.41Å; Y336-L340 HydrophobicContact CE1-CD1 3.59Å; Y336-L340 HydrophobicContact CE1-CG 4.21Å; Y336-L340 HydrophobicContact CE2-CD1 4.19Å; Y336-L340 HydrophobicContact CE2-CD2 3.9Å; Y336-L340 HydrophobicContact CE2-CG 3.96Å; Y336-L340 PolarHBondContact O-N 2.87Å; L337-L340 PolarHBondContact O-N 2.74Å; L340-K342 VanDerWaalsContact C-N 3.32Å; L340-K342 PolarHBondContact O-N 3.11Å; L340-L343 PolarHBondContact O-N 2.76Å; L340-S344 PolarHBondContact O-N 3.31Å; L340-L373 HydrophobicContact CD2-CD1 3.53Å; L340-I532 HydrophobicContact CD1-CG2 3.96Å; L340-T536 HydrophobicContact CD1-CG2 3.95Å; L340-T536 HydrophobicContact CD2-CG2 4.18Å; L340-L541 HydrophobicContact CB-CD2 4.48Å; L340-L541 HydrophobicContact CD2-CD1 4.49Å; L340-Y610 HydrophobicContact CB-CD2 4.13Å; L340-Y610 HydrophobicContact CB-CE2 4.12Å
341	L	89.9	Confident	82.9	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.2	-44	176.6	-73.6	164.3	0	0	0	111.5	L337 L338 L343 S344 Y345 I546 F559 Y610 L613 S614 I617	L337-L341 HydrophobicContact CD1-CD1 4.4Å; L337-L341 HydrophobicContact CG-CD1 4.3Å; L337-L341 WeakPolarHBondContact O-CG 3.48Å; L337-L341 PolarHBondContact O-N 2.95Å; L338-L341 HydrophobicContact CD2-CD1 4.34Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L341-S344 PolarHBondContact O-N 3.43Å; L341-Y345 VanDerWaalsContact O-CB 3.23Å; L341-Y345 WeakPolarHBondContact O-CB 3.31Å; L341-Y345 PolarHBondContact O-N 3.21Å; L341-I546 HydrophobicContact CD2-CD1 3.78Å; L341-F559 HydrophobicContact CB-CE1 3.86Å; L341-Y610 HydrophobicContact CD2-CD2 3.68Å; L341-Y610 HydrophobicContact CD2-CE2 3.62Å; L341-Y610 HydrophobicContact CD2-CG 4.42Å; L341-Y610 HydrophobicContact CG-CD2 3.86Å; L341-Y610 HydrophobicContact CG-CE2 3.96Å; L341-L613 HydrophobicContact CD1-CB 3.64Å; L341-L613 HydrophobicContact CD1-CD1 3.36Å; L341-L613 HydrophobicContact CD1-CG 4.11Å; L341-L613 HydrophobicContact CD2-CB 4.01Å; L341-L613 HydrophobicContact CG-CB 4.5Å; L341-S614 WeakPolarHBondContact CD2-OG 3.45Å; L341-I617 HydrophobicContact CD2-CD1 4.46Å
342	K	87.3	Confident	81.2	Confident	19 Å²	19	21.9 Å²	21.9	8%	0.083	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-36.3	177.9	-170.9	174.6	171.9	179.5	0	111.9	T290 C291 F292 L338 K339 L340 Y345 F346 F559	T290-K342 PolarHBondContact O-NZ 3.17Å; T290-K342 PolarHBondContact OG1-NZ 2.75Å; C291-K342 PolarHBondContact O-NZ 3.19Å; F292-K342 HydrophobicContact CD1-CB 3.82Å; F292-K342 HydrophobicContact CD1-CD 3.75Å; F292-K342 HydrophobicContact CD1-CG 3.63Å; F292-K342 HydrophobicContact CE1-CB 4.14Å; F292-K342 HydrophobicContact CE1-CD 4.4Å; F292-K342 HydrophobicContact CE1-CG 3.88Å; L338-K342 VanDerWaalsContact O-CB 3.27Å; L338-K342 WeakPolarHBondContact O-CB 3.44Å; L338-K342 PolarHBondContact O-N 3.49Å; K339-K342 PolarHBondContact O-N 2.81Å; L340-K342 VanDerWaalsContact C-N 3.32Å; L340-K342 PolarHBondContact O-N 3.11Å; K342-Y345 PolarHBondContact O-N 3.31Å; K342-F346 HydrophobicContact CG-CD2 3.94Å; K342-F346 PolarHBondContact O-N 2.98Å; K342-F559 HydrophobicContact CG-CD2 4.46Å
343	L	86.1	Confident	79.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-37.8	176.8	-177.3	65.5	0	0	0	112	F292 K339 L340 L341 V369 L373 L376 L541	F292-L343 VanDerWaalsContact CE1-CA 3.49Å; F292-L343 HydrophobicContact CE1-CB 3.93Å; F292-L343 HydrophobicContact CE1-CD1 4.16Å; F292-L343 HydrophobicContact CE2-CD1 3.97Å; F292-L343 HydrophobicContact CZ-CB 4.03Å; F292-L343 HydrophobicContact CZ-CD1 3.38Å; F292-L343 HydrophobicContact CZ-CG 4.32Å; K339-L343 WeakPolarHBondContact O-CB 3.42Å; K339-L343 PolarHBondContact O-N 3.5Å; L340-L343 PolarHBondContact O-N 2.76Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L343-V369 HydrophobicContact CD1-CB 4.43Å; L343-V369 HydrophobicContact CD1-CG1 3.89Å; L343-V369 HydrophobicContact CD1-CG2 4.37Å; L343-V369 HydrophobicContact CD2-CG1 4.2Å; L343-V369 HydrophobicContact CG-CG1 3.87Å; L343-L373 HydrophobicContact CD2-CB 4.04Å; L343-L373 HydrophobicContact CD2-CD1 4.46Å; L343-L376 HydrophobicContact CD2-CD1 4.31Å; L343-L541 HydrophobicContact CD2-CD1 4.15Å
344	S	88.5	Confident	77.4	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-71.7	-42.9	171.7	-174	0	0	0	0	111.8	L340 L341 P347 L541 S544 Y547 N548 Y610	L340-S344 PolarHBondContact O-N 3.31Å; L341-S344 PolarHBondContact O-N 3.43Å; S344-P347 WeakPolarHBondContact O-CD 3.04Å; S344-L541 PolarHBondContact OG-O 2.66Å; S344-S544 WeakPolarHBondContact OG-CB 3.2Å; S344-Y547 VanDerWaalsContact O-CA 3.29Å; S344-Y547 WeakPolarHBondContact O-CA 3.35Å; S344-N548 PolarHBondContact O-N 3.12Å; S344-Y610 VanDerWaalsContact CB-OH 3.29Å; S344-Y610 WeakPolarHBondContact CB-OH 3.19Å; S344-Y610 PolarHBondContact OG-OH 3.45Å
345	Y	89.2	Confident	75.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.6	-34	-175.9	-171.6	-119.4	0	0	0	113.7	L341 K342 I546 L549 G550 T556 L557 F559 I617 H621	L341-Y345 VanDerWaalsContact O-CB 3.23Å; L341-Y345 WeakPolarHBondContact O-CB 3.31Å; L341-Y345 PolarHBondContact O-N 3.21Å; K342-Y345 PolarHBondContact O-N 3.31Å; Y345-I546 HydrophobicContact CD2-CB 4.38Å; Y345-L549 HydrophobicContact CD2-CB 3.83Å; Y345-L549 HydrophobicContact CE2-CB 3.56Å; Y345-G550 VanDerWaalsContact CE2-N 3.3Å; Y345-G550 WeakPolarHBondContact O-CA 3.41Å; Y345-G550 PolarHBondContact O-N 3.12Å; Y345-T556 WeakPolarHBondContact OH-CA 3.46Å; Y345-L557 HydrophobicContact CE1-CB 4.14Å; Y345-L557 PolarHBondContact OH-N 2.8Å; Y345-F559 AromaticContact CD1-CE2 3.62Å; Y345-F559 HydrophobicContact CD1-CE2 3.62Å; Y345-F559 AromaticContact CD1-CZ 3.83Å; Y345-F559 HydrophobicContact CD1-CZ 3.83Å; Y345-F559 HydrophobicContact CE1-CE2 4.12Å; Y345-F559 HydrophobicContact CG-CE2 4.4Å; Y345-F559 HydrophobicContact CG-CZ 4.18Å; Y345-I617 HydrophobicContact CD2-CG2 4.31Å; Y345-I617 HydrophobicContact CE2-CG2 4.16Å; Y345-H621 AromaticContact CE2-NE2 3.61Å; Y345-H621 AromaticContact CZ-NE2 3.71Å; Y345-H621 PolarHBondContact OH-CE1 3.09Å; Y345-H621 PolarHBondContact OH-NE2 3.17Å
346	F	83.1	Confident	72.9	Confident	41 Å²	41	35.3 Å²	35.3	18%	0.18	18%	0.184	C	C	.	.	S	Bend	trans	-126.3	72.9	176.4	-63.2	-79	0	0	0	111.5	K342 H348 G550 C551 T556 F559	K342-F346 HydrophobicContact CG-CD2 3.94Å; K342-F346 PolarHBondContact O-N 2.98Å; F346-H348 PolarHBondContact O-N 3.37Å; F346-G550 VanDerWaalsContact CE1-O 3.28Å; F346-G550 WeakPolarHBondContact CE1-O 3.46Å; F346-C551 VanDerWaalsContact CD1-SG 3.6Å; F346-T556 HydrophobicContact CE1-CG2 4.2Å; F346-T556 HydrophobicContact CZ-CG2 4.35Å; F346-F559 HydrophobicContact CE2-CE2 4.34Å
347	P	77.6	Confident	70.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.			trans	-69.8	123.8	179.2	27.3	-29.3	0	0	0	110.6	S344 D349 D350 C351 V369 Y547 N548	S344-P347 WeakPolarHBondContact O-CD 3.04Å; P347-D349 PolarHBondContact O-N 2.86Å; P347-D350 HydrophobicContact CG-CB 4.21Å; P347-D350 PolarHBondContact O-N 2.8Å; P347-D350 VanDerWaalsContact O-N 3.14Å; P347-C351 WeakPolarHBondContact O-CB 3.14Å; P347-C351 PolarHBondContact O-N 2.79Å; P347-C351 VanDerWaalsContact O-N 3.13Å; P347-C351 PolarHBondContact O-SG 3.37Å; P347-V369 HydrophobicContact CB-CG2 3.91Å; P347-Y547 HydrophobicContact CB-CE2 3.79Å; P347-Y547 WeakPolarHBondContact CB-OH 3.3Å; P347-Y547 HydrophobicContact CG-CE1 4.11Å; P347-Y547 HydrophobicContact CG-CE2 3.99Å; P347-N548 HydrophobicContact CG-CB 3.87Å
348	H	68.6	Low	68.1	Low	23 Å²	23	43.3 Å²	43.3	11%	0.106	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.2	-173.5	-58.4	-32.6	0	0	0	114.2	F292 F346 D350 F354	F292-H348 AromaticContact CE2-CE1 3.3Å; F292-H348 WeakPolarHBondContact CE2-CE1 3.27Å; F292-H348 AromaticContact CE2-NE2 3Å; F292-H348 WeakPolarHBondContact CE2-NE2 3.32Å; F292-H348 AromaticContact CZ-CE1 3.13Å; F292-H348 WeakPolarHBondContact CZ-CE1 3.47Å; F292-H348 AromaticContact CZ-NE2 3.22Å; F292-H348 WeakPolarHBondContact CZ-NE2 3.18Å; F346-H348 PolarHBondContact O-N 3.37Å; H348-D350 PolarHBondContact O-N 3.36Å; H348-F354 HydrophobicContact CB-CB 4.39Å; H348-F354 HydrophobicContact CB-CD2 4.07Å; H348-F354 HydrophobicContact CB-CG 4.03Å; H348-F354 AromaticContact CE1-CD2 3.89Å; H348-F354 AromaticContact CE1-CE1 3.49Å; H348-F354 VanDerWaalsContact CE1-CE1 3.49Å; H348-F354 WeakPolarHBondContact CE1-CE1 3.44Å; H348-F354 AromaticContact CE1-CE2 3.2Å; H348-F354 WeakPolarHBondContact CE1-CE2 3.43Å; H348-F354 AromaticContact CE1-CZ 2.97Å; H348-F354 WeakPolarHBondContact CE1-CZ 3.39Å; H348-F354 AromaticContact CG-CD2 3.82Å; H348-F354 AromaticContact CG-CE2 3.94Å; H348-F354 AromaticContact CG-CG 3.94Å; H348-F354 AromaticContact ND1-CD1 3.89Å; H348-F354 AromaticContact ND1-CD2 3.14Å; H348-F354 WeakPolarHBondContact ND1-CD2 3.28Å; H348-F354 AromaticContact ND1-CE1 3.65Å; H348-F354 AromaticContact ND1-CE2 2.88Å; H348-F354 WeakPolarHBondContact ND1-CE2 3.15Å; H348-F354 AromaticContact ND1-CG 3.67Å; H348-F354 AromaticContact ND1-CZ 3.18Å; H348-F354 WeakPolarHBondContact ND1-CZ 3.45Å; H348-F354 AromaticContact NE2-CE1 3.95Å; H348-F354 AromaticContact NE2-CZ 3.85Å
349	D	66.3	Low	65.7	Low	85 Å²	85	46.8 Å²	46.8	46%	0.455	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.5	-176.9	-58	-37.2	0	0	0	111.9	P347 V369	P347-D349 PolarHBondContact O-N 2.86Å; D349-V369 WeakPolarHBondContact OD2-CG2 3.36Å
350	D	58.9	Low	63.3	Low	76 Å²	76	56.2 Å²	56.2	41%	0.406	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-21.4	-176.4	-60.5	-46.5	0	0	0	113	P347 H348 Y547	P347-D350 HydrophobicContact CG-CB 4.21Å; P347-D350 PolarHBondContact O-N 2.8Å; P347-D350 VanDerWaalsContact O-N 3.14Å; H348-D350 PolarHBondContact O-N 3.36Å; D350-Y547 PolarHBondContact OD2-OH 2.86Å; D350-Y547 VanDerWaalsContact OD2-OH 3.07Å
351	C	60.5	Low	61.1	Low	7 Å²	7	58.3 Å²	58.3	5%	0.047	31%	0.311	C	S	.	.			trans	-94.2	108.1	-176	-55.9	0	0	0	0	110.9	P347 T353 F354 C551	P347-C351 WeakPolarHBondContact O-CB 3.14Å; P347-C351 PolarHBondContact O-N 2.79Å; P347-C351 VanDerWaalsContact O-N 3.13Å; P347-C351 PolarHBondContact O-SG 3.37Å; C351-T353 PolarHBondContact O-N 3.3Å; C351-F354 PolarHBondContact O-N 3.47Å; C351-C551 HydrophobicContact CB-CB 4.06Å; C351-C551 WeakPolarHBondContact CB-SG 3.46Å; C351-C551 WeakPolarHBondContact SG-CB 3.18Å; C351-C551 CovalentContact SG-SG 2Å; C351-C551 PolarHBondContact SG-SG 3.48Å
352	H	51.9	Low	59.2	Low	186 Å²	186	65.7 Å²	65.7	86%	0.861	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-1.8	176.2	-72.5	-64	0	0	0	115.7
353	T	48.4	Very low	57.5	Low	87 Å²	87	65.2 Å²	65.2	53%	0.534	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.2	174.9	49.2	0	0	0	0	114	C351 V355	C351-T353 PolarHBondContact O-N 3.3Å; T353-V355 VanDerWaalsContact C-N 3.29Å; T353-V355 PolarHBondContact O-N 3.03Å; T353-V355 VanDerWaalsContact O-N 3.15Å
354	F	46.1	Very low	56	Low	49 Å²	49	69 Å²	69	22%	0.215	38%	0.375	C	S	.	.			trans	-88.1	67.3	173.9	-81.8	-92.8	0	0	0	110.5	H348 C351 I356	H348-F354 HydrophobicContact CB-CB 4.39Å; H348-F354 HydrophobicContact CB-CD2 4.07Å; H348-F354 HydrophobicContact CB-CG 4.03Å; H348-F354 AromaticContact CE1-CD2 3.89Å; H348-F354 AromaticContact CE1-CE1 3.49Å; H348-F354 VanDerWaalsContact CE1-CE1 3.49Å; H348-F354 WeakPolarHBondContact CE1-CE1 3.44Å; H348-F354 AromaticContact CE1-CE2 3.2Å; H348-F354 WeakPolarHBondContact CE1-CE2 3.43Å; H348-F354 AromaticContact CE1-CZ 2.97Å; H348-F354 WeakPolarHBondContact CE1-CZ 3.39Å; H348-F354 AromaticContact CG-CD2 3.82Å; H348-F354 AromaticContact CG-CE2 3.94Å; H348-F354 AromaticContact CG-CG 3.94Å; H348-F354 AromaticContact ND1-CD1 3.89Å; H348-F354 AromaticContact ND1-CD2 3.14Å; H348-F354 WeakPolarHBondContact ND1-CD2 3.28Å; H348-F354 AromaticContact ND1-CE1 3.65Å; H348-F354 AromaticContact ND1-CE2 2.88Å; H348-F354 WeakPolarHBondContact ND1-CE2 3.15Å; H348-F354 AromaticContact ND1-CG 3.67Å; H348-F354 AromaticContact ND1-CZ 3.18Å; H348-F354 WeakPolarHBondContact ND1-CZ 3.45Å; H348-F354 AromaticContact NE2-CE1 3.95Å; H348-F354 AromaticContact NE2-CZ 3.85Å; C351-F354 PolarHBondContact O-N 3.47Å; F354-I356 VanDerWaalsContact C-N 3.31Å; F354-I356 PolarHBondContact O-N 2.95Å
355	V	39.5	Very low	54.5	Low	107 Å²	107	70.1 Å²	70.1	65%	0.648	38%	0.381	S	S	*	.			trans	-74.9	91.2	169.6	-178.2	0	0	0	0	108.2	T353 N357	T353-V355 VanDerWaalsContact C-N 3.29Å; T353-V355 PolarHBondContact O-N 3.03Å; T353-V355 VanDerWaalsContact O-N 3.15Å; V355-N357 HydrophobicContact CG1-CB 3.89Å; V355-N357 PolarHBondContact O-N 3.41Å
356	I	43.8	Very low	53.2	Low	60 Å²	60	75.9 Å²	75.9	31%	0.308	41%	0.412	S	S	.	.			trans	-80.1	89.6	166.3	-52.8	165.7	0	0	0	105.6	F354 P358 L365 N366	F354-I356 VanDerWaalsContact C-N 3.31Å; F354-I356 PolarHBondContact O-N 2.95Å; I356-P358 VanDerWaalsContact C-CD 3.46Å; I356-P358 HydrophobicContact CG2-CG 4.35Å; I356-P358 WeakPolarHBondContact O-CD 3.49Å; I356-L365 WeakPolarHBondContact CD1-O 3.4Å; I356-N366 HydrophobicContact CD1-CB 4.42Å; I356-N366 WeakPolarHBondContact CD1-OD1 3.44Å
357	N	37.3	Very low	52.4	Low	122 Å²	122	75 Å²	75	65%	0.652	41%	0.409	S	S	*	.			trans	-121.4	75.7	172.4	-154.8	1.4	0	0	0	110	V355 A359	V355-N357 HydrophobicContact CG1-CB 3.89Å; V355-N357 PolarHBondContact O-N 3.41Å; N357-A359 VanDerWaalsContact C-N 3.32Å; N357-A359 PolarHBondContact O-N 3Å
358	P	40.3	Very low	52.3	Low	46 Å²	46	77.5 Å²	77.5	30%	0.299	42%	0.424	S	S	.	.			trans	-81.3	84.9	177.4	32.8	-29.1	0	0	0	107.7	I356 F360	I356-P358 VanDerWaalsContact C-CD 3.46Å; I356-P358 HydrophobicContact CG2-CG 4.35Å; I356-P358 WeakPolarHBondContact O-CD 3.49Å; P358-F360 PolarHBondContact O-N 3.3Å
359	A	39.1	Very low	52.8	Low	72 Å²	72	76.4 Å²	76.4	60%	0.595	42%	0.419	S	S	*	.	S	Bend	trans	-72.5	-3.6	177.4	0	0	0	0	0	113.6	N357	N357-A359 VanDerWaalsContact C-N 3.32Å; N357-A359 PolarHBondContact O-N 3Å
360	F	37.4	Very low	53.7	Low	199 Å²	199	79 Å²	79	87%	0.873	42%	0.423	S	S	*	.	S	Bend	trans	-141.8	10.7	-168.7	-76.9	-72.9	0	0	0	118.4	P358	P358-F360 PolarHBondContact O-N 3.3Å
361	T	43.6	Very low	54.8	Low	44 Å²	44	78.4 Å²	78.4	27%	0.27	42%	0.419	S	S	.	.			trans	-145.6	145.8	176.3	53.8	0	0	0	0	112.9	T260 F363	T260-T361 WeakPolarHBondContact OG1-CG2 3.32Å; T260-T361 PolarHBondContact OG1-OG1 2.98Å; T361-F363 PolarHBondContact O-N 3.35Å
362	N	48.8	Very low	55.8	Low	155 Å²	155	78 Å²	78	83%	0.829	42%	0.417	S	S	*	.	S	Bend	trans	-59.7	-12.6	173.1	-75.8	-9.7	0	0	0	113.7	S364	N362-S364 PolarHBondContact O-N 3.02Å
363	F	52	Low	57.5	Low	10 Å²	10	69.5 Å²	69.5	4%	0.044	38%	0.378	C	S	.	.			trans	-86.8	91.9	173.9	-164.7	-102.2	0	0	0	111	L177 L180 I184 N243 F244 T260 T361 L365	L177-F363 HydrophobicContact CD1-CE2 4.46Å; L180-F363 HydrophobicContact CD2-CE2 4.07Å; L180-F363 HydrophobicContact CD2-CZ 4.04Å; I184-F363 HydrophobicContact CD1-CE1 4.08Å; I184-F363 HydrophobicContact CD1-CZ 3.96Å; N243-F363 HydrophobicContact CB-CD2 4.04Å; F244-F363 HydrophobicContact CE1-CB 4.34Å; F244-F363 HydrophobicContact CE1-CD2 4.35Å; F244-F363 HydrophobicContact CE1-CG 4.17Å; T260-F363 HydrophobicContact CG2-CB 4.5Å; T260-F363 HydrophobicContact CG2-CD1 3.87Å; T361-F363 PolarHBondContact O-N 3.35Å; F363-L365 HydrophobicContact CE1-CB 4.01Å; F363-L365 HydrophobicContact CE1-CD1 4.29Å; F363-L365 HydrophobicContact CZ-CB 4.42Å; F363-L365 HydrophobicContact CZ-CD1 3.87Å
364	S	54.3	Low	59.4	Low	79 Å²	79	72.6 Å²	72.6	55%	0.552	38%	0.384	S	S	*	.			trans	-102.9	107.9	165.4	70.2	0	0	0	0	109.9	N362 N366	N362-S364 PolarHBondContact O-N 3.02Å; S364-N366 PolarHBondContact O-N 3.41Å
365	L	57.2	Low	61.2	Low	24 Å²	24	70.8 Å²	70.8	13%	0.126	38%	0.376	C	S	.	.			trans	-89.2	89.1	178.9	-166.6	81.7	0	0	0	110.8	H181 I184 I356 F363 L367	H181-L365 WeakPolarHBondContact CD2-CD1 3.35Å; H181-L365 WeakPolarHBondContact NE2-CD1 3.16Å; I184-L365 HydrophobicContact CB-CD2 4.39Å; I184-L365 HydrophobicContact CD1-CD1 4.49Å; I184-L365 HydrophobicContact CD1-CD2 3.81Å; I184-L365 HydrophobicContact CG2-CD2 3.7Å; I356-L365 WeakPolarHBondContact CD1-O 3.4Å; F363-L365 HydrophobicContact CE1-CB 4.01Å; F363-L365 HydrophobicContact CE1-CD1 4.29Å; F363-L365 HydrophobicContact CZ-CB 4.42Å; F363-L365 HydrophobicContact CZ-CD1 3.87Å; L365-L367 HydrophobicContact CD1-CD1 4.13Å; L365-L367 HydrophobicContact CD1-CG 4.07Å; L365-L367 HydrophobicContact CD2-CD1 3.65Å; L365-L367 HydrophobicContact CD2-CG 4.14Å; L365-L367 HydrophobicContact CG-CD1 3.93Å; L365-L367 HydrophobicContact CG-CG 3.87Å; L365-L367 PolarHBondContact O-N 2.85Å
366	N	61.9	Low	63.5	Low	121 Å²	121	65.7 Å²	65.7	65%	0.647	35%	0.345	S	S	*	.			trans	-97.3	74.7	173	-157.4	10	0	0	0	110.4	I356 S364	I356-N366 HydrophobicContact CD1-CB 4.42Å; I356-N366 WeakPolarHBondContact CD1-OD1 3.44Å; S364-N366 PolarHBondContact O-N 3.41Å
367	L	67	Low	65.6	Low	24 Å²	24	64.3 Å²	64.3	13%	0.126	34%	0.338	C	S	.	.			trans	-82.9	119.6	176.1	-74.2	171.3	0	0	0	109.7	H181 L185 L365 D371 I375	H181-L367 HydrophobicContact CB-CD1 4.4Å; L185-L367 HydrophobicContact CD2-CD1 4.42Å; L365-L367 HydrophobicContact CD1-CD1 4.13Å; L365-L367 HydrophobicContact CD1-CG 4.07Å; L365-L367 HydrophobicContact CD2-CD1 3.65Å; L365-L367 HydrophobicContact CD2-CG 4.14Å; L365-L367 HydrophobicContact CG-CD1 3.93Å; L365-L367 HydrophobicContact CG-CG 3.87Å; L365-L367 PolarHBondContact O-N 2.85Å; L367-D371 HydrophobicContact CD2-CB 3.69Å; L367-I375 HydrophobicContact CD1-CD1 4.34Å; L367-I375 HydrophobicContact CD2-CD1 3.74Å
368	T	76	Confident	68	Low	51 Å²	51	64.7 Å²	64.7	31%	0.313	33%	0.331	S	S	.	.			trans	-67.2	164.1	169	67.1	0	0	0	0	110.4	R370 D371 S372	T368-R370 PolarHBondContact O-N 3.3Å; T368-R370 PolarHBondContact OG1-N 3.37Å; T368-D371 WeakPolarHBondContact CB-OD2 3.37Å; T368-D371 PolarHBondContact N-OD2 3.42Å; T368-D371 PolarHBondContact O-N 2.84Å; T368-D371 PolarHBondContact OG1-N 3.03Å; T368-D371 VanDerWaalsContact OG1-N 3.1Å; T368-D371 PolarHBondContact OG1-OD2 3.08Å; T368-S372 WeakPolarHBondContact O-CB 3.23Å; T368-S372 PolarHBondContact O-N 3.32Å; T368-S372 PolarHBondContact O-OG 2.86Å
369	V	78.7	Confident	70.2	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-55.5	-36.7	171.3	173.8	0	0	0	0	111	L343 P347 D349 L373 Y538	L343-V369 HydrophobicContact CD1-CB 4.43Å; L343-V369 HydrophobicContact CD1-CG1 3.89Å; L343-V369 HydrophobicContact CD1-CG2 4.37Å; L343-V369 HydrophobicContact CD2-CG1 4.2Å; L343-V369 HydrophobicContact CG-CG1 3.87Å; P347-V369 HydrophobicContact CB-CG2 3.91Å; D349-V369 WeakPolarHBondContact OD2-CG2 3.36Å; V369-L373 WeakPolarHBondContact O-CB 3.41Å; V369-L373 PolarHBondContact O-N 3.47Å; V369-Y538 HydrophobicContact CB-CE2 3.96Å; V369-Y538 HydrophobicContact CG1-CD2 4.2Å; V369-Y538 HydrophobicContact CG1-CE2 3.71Å
370	R	84.2	Confident	72.5	Confident	139 Å²	139	59.3 Å²	59.3	53%	0.525	29%	0.291	S	S	.	.	H	α-helix	trans	-65.9	-44	177.7	-178	-179.8	-71.2	-177.6	-5.6	112.5	T368 L373 K374 Y538 E539	T368-R370 PolarHBondContact O-N 3.3Å; T368-R370 PolarHBondContact OG1-N 3.37Å; R370-L373 PolarHBondContact O-N 3.39Å; R370-K374 PolarHBondContact O-N 3Å; R370-Y538 HydrophobicContact CB-CD2 3.85Å; R370-Y538 HydrophobicContact CB-CE2 4.08Å; R370-Y538 HydrophobicContact CB-CG 4.21Å; R370-Y538 HydrophobicContact CG-CD2 4.41Å; R370-Y538 HydrophobicContact CG-CG 4.32Å; R370-E539 IonicContact NH2-OE1 3.24Å
371	D	82.4	Confident	74.8	Confident	63 Å²	63	51 Å²	51	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-44.2	178.1	-59.2	-45.4	0	0	0	110.6	L367 T368 L373 K374 I375	L367-D371 HydrophobicContact CD2-CB 3.69Å; T368-D371 WeakPolarHBondContact CB-OD2 3.37Å; T368-D371 PolarHBondContact N-OD2 3.42Å; T368-D371 PolarHBondContact O-N 2.84Å; T368-D371 PolarHBondContact OG1-N 3.03Å; T368-D371 VanDerWaalsContact OG1-N 3.1Å; T368-D371 PolarHBondContact OG1-OD2 3.08Å; D371-L373 VanDerWaalsContact C-N 3.33Å; D371-L373 PolarHBondContact O-N 3.23Å; D371-K374 WeakPolarHBondContact O-CB 3.44Å; D371-K374 PolarHBondContact O-N 3.49Å; D371-K374 VanDerWaalsContact O-N 3.17Å; D371-I375 WeakPolarHBondContact O-CD1 3.44Å; D371-I375 WeakPolarHBondContact O-CG1 3.2Å; D371-I375 PolarHBondContact O-N 3.3Å
372	S	82.3	Confident	76.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-46.2	176.8	-59.3	0	0	0	0	111.3	T368 I375 L376	T368-S372 WeakPolarHBondContact O-CB 3.23Å; T368-S372 PolarHBondContact O-N 3.32Å; T368-S372 PolarHBondContact O-OG 2.86Å; S372-I375 PolarHBondContact O-N 3.08Å; S372-L376 WeakPolarHBondContact O-CB 3.27Å; S372-L376 VanDerWaalsContact O-CG 3.23Å; S372-L376 WeakPolarHBondContact O-CG 3.14Å; S372-L376 PolarHBondContact O-N 3.38Å
373	L	87.5	Confident	78.5	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-48.3	174.8	178.4	62	0	0	0	112.1	L340 L343 V369 R370 D371 I375 L376 N377 T536 Y538 L541	L340-L373 HydrophobicContact CD2-CD1 3.53Å; L343-L373 HydrophobicContact CD2-CB 4.04Å; L343-L373 HydrophobicContact CD2-CD1 4.46Å; V369-L373 WeakPolarHBondContact O-CB 3.41Å; V369-L373 PolarHBondContact O-N 3.47Å; R370-L373 PolarHBondContact O-N 3.39Å; D371-L373 VanDerWaalsContact C-N 3.33Å; D371-L373 PolarHBondContact O-N 3.23Å; L373-I375 VanDerWaalsContact C-N 3.29Å; L373-I375 PolarHBondContact O-N 2.92Å; L373-L376 PolarHBondContact O-N 3.1Å; L373-N377 WeakPolarHBondContact CD1-OD1 3.33Å; L373-N377 WeakPolarHBondContact O-CB 3.44Å; L373-N377 VanDerWaalsContact O-CG 3.25Å; L373-N377 PolarHBondContact O-N 3.03Å; L373-N377 PolarHBondContact O-OD1 3.49Å; L373-T536 HydrophobicContact CD1-CG2 4.24Å; L373-Y538 VanDerWaalsContact CD2-CA 3.46Å; L373-L541 HydrophobicContact CB-CD1 4.4Å; L373-L541 HydrophobicContact CD1-CD1 3.4Å; L373-L541 VanDerWaalsContact CD1-CD1 3.4Å; L373-L541 HydrophobicContact CD2-CD1 3.64Å; L373-L541 HydrophobicContact CG-CD1 3.96Å
374	K	87.3	Confident	80.1	Confident	151 Å²	151	45 Å²	45	66%	0.657	23%	0.226	S	C	*	.	H	α-helix	trans	-58.5	-43.5	-178.9	-176.4	-176.9	176.3	-172.9	0	111.3	R370 D371 R378	R370-K374 PolarHBondContact O-N 3Å; D371-K374 WeakPolarHBondContact O-CB 3.44Å; D371-K374 PolarHBondContact O-N 3.49Å; D371-K374 VanDerWaalsContact O-N 3.17Å; K374-R378 WeakPolarHBondContact O-CB 2.93Å; K374-R378 PolarHBondContact O-N 2.79Å
375	I	85	Confident	81.5	Confident	12 Å²	12	45.7 Å²	45.7	6%	0.062	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-44.4	179	-66.4	157.1	0	0	0	110.8	H181 L182 L185 L367 D371 S372 L373 R378 G379	H181-I375 HydrophobicContact CB-CD1 3.69Å; H181-I375 HydrophobicContact CB-CG1 4.48Å; H181-I375 HydrophobicContact CB-CG2 4.17Å; L182-I375 HydrophobicContact CB-CG2 3.95Å; L182-I375 HydrophobicContact CD1-CG2 4.17Å; L185-I375 HydrophobicContact CD1-CB 3.99Å; L185-I375 HydrophobicContact CD1-CG2 3.83Å; L367-I375 HydrophobicContact CD1-CD1 4.34Å; L367-I375 HydrophobicContact CD2-CD1 3.74Å; D371-I375 WeakPolarHBondContact O-CD1 3.44Å; D371-I375 WeakPolarHBondContact O-CG1 3.2Å; D371-I375 PolarHBondContact O-N 3.3Å; S372-I375 PolarHBondContact O-N 3.08Å; L373-I375 VanDerWaalsContact C-N 3.29Å; L373-I375 PolarHBondContact O-N 2.92Å; I375-R378 PolarHBondContact O-N 2.69Å; I375-G379 PolarHBondContact O-N 3.4Å
376	L	87.3	Confident	82.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-46.4	176.6	-72.1	172.9	0	0	0	111.8	L185 M331 Y336 K339 L343 S372 L373 R378 G379 A380	L185-L376 HydrophobicContact CB-CD2 4.07Å; L185-L376 HydrophobicContact CD1-CD2 4.34Å; L185-L376 HydrophobicContact CD1-CG 4.1Å; M331-L376 HydrophobicContact CE-CD2 3.62Å; M331-L376 HydrophobicContact SD-CD2 4.27Å; Y336-L376 HydrophobicContact CD2-CB 4.5Å; Y336-L376 HydrophobicContact CE2-CB 4.06Å; K339-L376 HydrophobicContact CB-CD1 4.49Å; K339-L376 HydrophobicContact CD-CD2 4.09Å; L343-L376 HydrophobicContact CD2-CD1 4.31Å; S372-L376 WeakPolarHBondContact O-CB 3.27Å; S372-L376 VanDerWaalsContact O-CG 3.23Å; S372-L376 WeakPolarHBondContact O-CG 3.14Å; S372-L376 PolarHBondContact O-N 3.38Å; L373-L376 PolarHBondContact O-N 3.1Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.48Å; L376-G379 PolarHBondContact O-N 3.08Å; L376-A380 WeakPolarHBondContact O-CB 3.43Å; L376-A380 PolarHBondContact O-N 3.41Å
377	N	88.4	Confident	84	Confident	30 Å²	30	45.3 Å²	45.3	16%	0.16	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-44.6	177.3	-71.4	3.6	0	0	0	110.9	Y336 L373 T381 T536	Y336-N377 PolarHBondContact OH-OD1 3.37Å; L373-N377 WeakPolarHBondContact CD1-OD1 3.33Å; L373-N377 WeakPolarHBondContact O-CB 3.44Å; L373-N377 VanDerWaalsContact O-CG 3.25Å; L373-N377 PolarHBondContact O-N 3.03Å; L373-N377 PolarHBondContact O-OD1 3.49Å; N377-T381 VanDerWaalsContact O-CB 3.28Å; N377-T381 WeakPolarHBondContact O-CB 3.36Å; N377-T381 PolarHBondContact O-N 2.73Å; N377-T381 PolarHBondContact O-OG1 3.31Å; N377-T536 PolarHBondContact ND2-O 2.8Å
378	R	86.6	Confident	84.7	Confident	131 Å²	131	44.8 Å²	44.8	49%	0.494	20%	0.203	S	C	.	.	H	α-helix	trans	-60.4	-48.8	175.7	-176.8	-179.7	175.6	176.9	-0.3	111.2	D178 K374 I375 L376 T381 V382	D178-R378 IonicContact OD2-CZ 2.89Å; D178-R378 IonicContact OD2-NH1 3.86Å; D178-R378 PolarHBondContact OD2-NH1 3.38Å; K374-R378 WeakPolarHBondContact O-CB 2.93Å; K374-R378 PolarHBondContact O-N 2.79Å; I375-R378 PolarHBondContact O-N 2.69Å; L376-R378 VanDerWaalsContact C-N 3.33Å; L376-R378 PolarHBondContact O-N 3.48Å; R378-T381 PolarHBondContact O-N 2.75Å; R378-V382 HydrophobicContact CG-CG2 4.49Å; R378-V382 WeakPolarHBondContact O-CB 3.33Å; R378-V382 VanDerWaalsContact O-CG2 3.3Å; R378-V382 WeakPolarHBondContact O-CG2 3.46Å; R378-V382 PolarHBondContact O-N 2.75Å
379	G	87.1	Confident	85.2	Confident	4 Å²	4	44.5 Å²	44.5	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-44.7	-179.7	0	0	0	0	0	113.1	I375 L376 V382 T383	I375-G379 PolarHBondContact O-N 3.4Å; L376-G379 PolarHBondContact O-N 3.08Å; G379-V382 PolarHBondContact O-N 2.73Å; G379-T383 WeakPolarHBondContact O-CB 3.48Å; G379-T383 PolarHBondContact O-N 3.46Å; G379-T383 PolarHBondContact O-OG1 3.15Å
380	A	88.1	Confident	85.6	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-41.7	177.2	0	0	0	0	0	111.8	M331 Y336 L376 T383 A384 L533	M331-A380 HydrophobicContact SD-CB 4.45Å; Y336-A380 HydrophobicContact CD1-CB 4.06Å; Y336-A380 HydrophobicContact CD2-CB 3.62Å; Y336-A380 HydrophobicContact CE1-CB 4.15Å; Y336-A380 HydrophobicContact CE2-CB 3.73Å; Y336-A380 HydrophobicContact CG-CB 3.79Å; L376-A380 WeakPolarHBondContact O-CB 3.43Å; L376-A380 PolarHBondContact O-N 3.41Å; A380-T383 PolarHBondContact O-N 3.05Å; A380-A384 WeakPolarHBondContact O-CB 3.21Å; A380-A384 PolarHBondContact O-N 2.76Å; A380-L533 HydrophobicContact CB-CD2 3.39Å
381	T	85.3	Confident	85.7	Confident	25 Å²	25	38 Å²	38	15%	0.153	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-46.9	175.7	-58	0	0	0	0	111.9	N377 R378 T383 A384 R385 L529	N377-T381 VanDerWaalsContact O-CB 3.28Å; N377-T381 WeakPolarHBondContact O-CB 3.36Å; N377-T381 PolarHBondContact O-N 2.73Å; N377-T381 PolarHBondContact O-OG1 3.31Å; R378-T381 PolarHBondContact O-N 2.75Å; T381-T383 VanDerWaalsContact C-N 3.32Å; T381-T383 PolarHBondContact O-N 2.74Å; T381-A384 PolarHBondContact O-N 3.11Å; T381-R385 WeakPolarHBondContact O-CB 3.23Å; T381-R385 VanDerWaalsContact O-CG 3.28Å; T381-R385 WeakPolarHBondContact O-CG 3.44Å; T381-R385 PolarHBondContact O-N 3Å; T381-L529 HydrophobicContact CG2-CD2 3.86Å
382	V	84.3	Confident	85.8	Confident	50 Å²	50	35.9 Å²	35.9	30%	0.303	16%	0.164	S	C	.	.	H	α-helix	trans	-61.4	-42.9	177.3	168	0	0	0	0	110.9	R378 G379 R385 R386 Y475	R378-V382 HydrophobicContact CG-CG2 4.49Å; R378-V382 WeakPolarHBondContact O-CB 3.33Å; R378-V382 VanDerWaalsContact O-CG2 3.3Å; R378-V382 WeakPolarHBondContact O-CG2 3.46Å; R378-V382 PolarHBondContact O-N 2.75Å; G379-V382 PolarHBondContact O-N 2.73Å; V382-R385 PolarHBondContact O-N 2.95Å; V382-R386 WeakPolarHBondContact O-CB 3.32Å; V382-R386 PolarHBondContact O-N 2.71Å; V382-Y475 HydrophobicContact CG1-CE1 3.83Å
383	T	86.4	Confident	86.1	Confident	32 Å²	32	38.3 Å²	38.3	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-64.2	-46.5	179.2	-56.1	0	0	0	0	111.3	M331 G379 A380 T381 R386 R387	M331-T383 HydrophobicContact CB-CG2 4.26Å; M331-T383 WeakPolarHBondContact CB-OG1 3.45Å; G379-T383 WeakPolarHBondContact O-CB 3.48Å; G379-T383 PolarHBondContact O-N 3.46Å; G379-T383 PolarHBondContact O-OG1 3.15Å; A380-T383 PolarHBondContact O-N 3.05Å; T381-T383 VanDerWaalsContact C-N 3.32Å; T381-T383 PolarHBondContact O-N 2.74Å; T383-R386 PolarHBondContact O-N 2.74Å; T383-R387 WeakPolarHBondContact O-CG 3.44Å; T383-R387 PolarHBondContact O-N 3.18Å; T383-R387 VanDerWaalsContact O-N 3.16Å
384	A	85.2	Confident	86.2	Confident	1 Å²	1	38 Å²	38	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-46.5	176.3	0	0	0	0	0	112.1	A380 T381 R386 R387 C388 L529 L533	A380-A384 WeakPolarHBondContact O-CB 3.21Å; A380-A384 PolarHBondContact O-N 2.76Å; T381-A384 PolarHBondContact O-N 3.11Å; A384-R386 VanDerWaalsContact C-N 3.33Å; A384-R386 PolarHBondContact O-N 2.87Å; A384-R387 PolarHBondContact O-N 3.02Å; A384-R387 VanDerWaalsContact O-N 3.12Å; A384-C388 PolarHBondContact O-N 2.92Å; A384-L529 HydrophobicContact CB-CD2 4.47Å; A384-L533 HydrophobicContact CB-CD1 3.7Å
385	R	83.1	Confident	86.3	Confident	93 Å²	93	32.8 Å²	32.8	35%	0.351	15%	0.153	S	C	.	.	H	α-helix	trans	-60.9	-40.3	177.8	-74	174.1	177.1	175.8	5.8	112.6	T381 V382 R387 C388 K389 D476 L529	T381-R385 WeakPolarHBondContact O-CB 3.23Å; T381-R385 VanDerWaalsContact O-CG 3.28Å; T381-R385 WeakPolarHBondContact O-CG 3.44Å; T381-R385 PolarHBondContact O-N 3Å; V382-R385 PolarHBondContact O-N 2.95Å; R385-R387 VanDerWaalsContact C-N 3.34Å; R385-R387 PolarHBondContact O-N 3.27Å; R385-C388 PolarHBondContact O-N 2.86Å; R385-K389 WeakPolarHBondContact O-CG 3.47Å; R385-K389 PolarHBondContact O-N 2.96Å; R385-D476 WeakPolarHBondContact CD-OD2 3.45Å; R385-D476 IonicContact CZ-OD2 3.72Å; R385-D476 IonicContact NE-OD2 3.06Å; R385-D476 PolarHBondContact NE-OD2 3.41Å; R385-D476 VanDerWaalsContact NE-OD2 3.07Å; R385-D476 IonicContact NH1-OD2 3.74Å; R385-D476 PolarHBondContact NH1-OD2 2.6Å; R385-D476 IonicContact NH2-OD2 3.43Å; R385-L529 HydrophobicContact CG-CD1 4.44Å; R385-L529 HydrophobicContact CG-CD2 4.48Å
386	R	85.7	Confident	86.6	Confident	122 Å²	122	36.2 Å²	36.2	46%	0.46	17%	0.168	S	C	.	.	H	α-helix	trans	-59.4	-45.4	174.4	-177.9	-178.8	178	-164.5	-2.2	111.3	V382 T383 A384 K389 L390	V382-R386 WeakPolarHBondContact O-CB 3.32Å; V382-R386 PolarHBondContact O-N 2.71Å; T383-R386 PolarHBondContact O-N 2.74Å; A384-R386 VanDerWaalsContact C-N 3.33Å; A384-R386 PolarHBondContact O-N 2.87Å; R386-K389 PolarHBondContact O-N 3.4Å; R386-L390 HydrophobicContact CG-CD1 4.32Å; R386-L390 WeakPolarHBondContact O-CG 3.33Å; R386-L390 PolarHBondContact O-N 3.48Å
387	R	85.4	Confident	86.8	Confident	14 Å²	14	36.2 Å²	36.2	5%	0.053	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-42.1	178.5	-68.3	-177.3	-83.7	117.9	-3.9	111.9	D332 T383 A384 R385 K389 L390 A391 W510 D514 N518 E521	D332-R387 IonicContact OD1-CZ 2.63Å; D332-R387 IonicContact OD1-NE 3.76Å; T383-R387 WeakPolarHBondContact O-CG 3.44Å; T383-R387 PolarHBondContact O-N 3.18Å; T383-R387 VanDerWaalsContact O-N 3.16Å; A384-R387 PolarHBondContact O-N 3.02Å; A384-R387 VanDerWaalsContact O-N 3.12Å; R385-R387 VanDerWaalsContact C-N 3.34Å; R385-R387 PolarHBondContact O-N 3.27Å; R387-K389 PolarHBondContact O-N 2.91Å; R387-L390 WeakPolarHBondContact O-CB 3.38Å; R387-L390 PolarHBondContact O-N 3.08Å; R387-A391 PolarHBondContact O-N 3.43Å; R387-W510 PolarHBondContact O-NE1 2.88Å; R387-D514 HydrophobicContact CG-CB 4.43Å; R387-N518 PolarHBondContact NH1-ND2 3.32Å; R387-N518 PolarHBondContact NH1-OD1 3.39Å; R387-E521 WeakPolarHBondContact CB-OE2 3.48Å; R387-E521 IonicContact CZ-OE1 2.63Å; R387-E521 IonicContact CZ-OE2 2.64Å; R387-E521 IonicContact NH1-OE1 3.87Å; R387-E521 PolarHBondContact NH1-OE1 3.37Å; R387-E521 IonicContact NH1-OE2 3.8Å; R387-E521 PolarHBondContact NH1-OE2 3.13Å; R387-E521 IonicContact NH2-OE1 3.88Å
388	C	83.3	Confident	86.9	Confident	14 Å²	14	35.2 Å²	35.2	10%	0.095	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-41.5	172.9	-80.1	0	0	0	0	113.6	A384 R385 L390 A391 A392 C527	A384-C388 PolarHBondContact O-N 2.92Å; R385-C388 PolarHBondContact O-N 2.86Å; C388-L390 VanDerWaalsContact C-N 3.34Å; C388-L390 PolarHBondContact O-N 3.34Å; C388-A391 WeakPolarHBondContact O-CB 3.19Å; C388-A391 PolarHBondContact O-N 3.14Å; C388-A392 PolarHBondContact O-N 2.93Å; C388-C527 HydrophobicContact CB-CB 3.41Å; C388-C527 VanDerWaalsContact CB-CB 3.41Å; C388-C527 WeakPolarHBondContact CB-SG 3.37Å; C388-C527 WeakPolarHBondContact SG-CB 3.39Å; C388-C527 CovalentContact SG-SG 2.02Å; C388-C527 PolarHBondContact SG-SG 3.27Å
389	K	85.5	Confident	87.1	Confident	45 Å²	45	32 Å²	32	20%	0.196	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-42.9	174.9	-74.9	-175.9	168.1	-147.2	0	111.8	R385 R386 R387 A391 A392 Y393 E471 L474	R385-K389 WeakPolarHBondContact O-CG 3.47Å; R385-K389 PolarHBondContact O-N 2.96Å; R386-K389 PolarHBondContact O-N 3.4Å; R387-K389 PolarHBondContact O-N 2.91Å; K389-A391 VanDerWaalsContact C-N 3.3Å; K389-A391 PolarHBondContact O-N 3.37Å; K389-A392 PolarHBondContact O-N 3.46Å; K389-Y393 HydrophobicContact CB-CD2 4.32Å; K389-Y393 WeakPolarHBondContact O-CB 3.41Å; K389-Y393 WeakPolarHBondContact O-CD2 3.22Å; K389-Y393 PolarHBondContact O-N 3.29Å; K389-E471 PolarHBondContact NZ-O 3.28Å; K389-L474 PolarHBondContact NZ-O 2.87Å
390	L	88.4	Confident	87.4	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-42.4	174.1	-67.9	164.5	0	0	0	111	R386 R387 C388 A392 Y393 C394 I472 M506 W510	R386-L390 HydrophobicContact CG-CD1 4.32Å; R386-L390 WeakPolarHBondContact O-CG 3.33Å; R386-L390 PolarHBondContact O-N 3.48Å; R387-L390 WeakPolarHBondContact O-CB 3.38Å; R387-L390 PolarHBondContact O-N 3.08Å; C388-L390 VanDerWaalsContact C-N 3.34Å; C388-L390 PolarHBondContact O-N 3.34Å; L390-A392 VanDerWaalsContact C-N 3.33Å; L390-A392 PolarHBondContact O-N 2.99Å; L390-Y393 PolarHBondContact O-N 2.91Å; L390-C394 WeakPolarHBondContact O-CB 3.46Å; L390-C394 PolarHBondContact O-N 3.18Å; L390-C394 PolarHBondContact O-SG 2.75Å; L390-I472 HydrophobicContact CD2-CD1 4.09Å; L390-I472 HydrophobicContact CD2-CG2 3.99Å; L390-I472 HydrophobicContact CG-CG2 4.4Å; L390-M506 HydrophobicContact CD2-CE 3.7Å; L390-M506 HydrophobicContact CD2-CG 3.84Å; L390-M506 HydrophobicContact CD2-SD 3.78Å; L390-W510 HydrophobicContact CB-CB 4.24Å; L390-W510 HydrophobicContact CB-CD2 3.97Å; L390-W510 HydrophobicContact CB-CG 3.62Å; L390-W510 HydrophobicContact CD1-CB 4.14Å; L390-W510 HydrophobicContact CD1-CG 4.15Å; L390-W510 HydrophobicContact CG-CG 4.42Å
391	A	84.9	Confident	87.5	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-38.5	175.7	0	0	0	0	0	113.7	R387 C388 K389 P395 W510	R387-A391 PolarHBondContact O-N 3.43Å; C388-A391 WeakPolarHBondContact O-CB 3.19Å; C388-A391 PolarHBondContact O-N 3.14Å; K389-A391 VanDerWaalsContact C-N 3.3Å; K389-A391 PolarHBondContact O-N 3.37Å; A391-P395 WeakPolarHBondContact O-CD 3.39Å; A391-P395 VanDerWaalsContact O-CG 3.29Å; A391-P395 WeakPolarHBondContact O-CG 3.14Å; A391-W510 HydrophobicContact CB-CH2 4.05Å; A391-W510 HydrophobicContact CB-CZ2 3.42Å; A391-W510 VanDerWaalsContact CB-CZ2 3.42Å
392	A	84.3	Confident	87.7	Confident	18 Å²	18	33.6 Å²	33.6	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-79.2	-30.5	179.6	0	0	0	0	0	113.9	C388 K389 L390 K396	C388-A392 PolarHBondContact O-N 2.93Å; K389-A392 PolarHBondContact O-N 3.46Å; L390-A392 VanDerWaalsContact C-N 3.33Å; L390-A392 PolarHBondContact O-N 2.99Å; A392-K396 WeakPolarHBondContact O-CE 3.35Å
393	Y	88.5	Confident	87.9	Confident	50 Å²	50	39.3 Å²	39.3	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-106.1	-30.6	-170.8	-70.9	-65.8	0	0	0	114.7	K389 L390 K396 W397 L468 E471 I472	K389-Y393 HydrophobicContact CB-CD2 4.32Å; K389-Y393 WeakPolarHBondContact O-CB 3.41Å; K389-Y393 WeakPolarHBondContact O-CD2 3.22Å; K389-Y393 PolarHBondContact O-N 3.29Å; L390-Y393 PolarHBondContact O-N 2.91Å; Y393-K396 HydrophobicContact CD1-CD 4Å; Y393-K396 HydrophobicContact CE1-CD 4.5Å; Y393-K396 WeakPolarHBondContact O-CB 3.4Å; Y393-K396 PolarHBondContact O-N 3.27Å; Y393-K396 VanDerWaalsContact O-N 3.11Å; Y393-W397 PolarHBondContact O-N 3.42Å; Y393-L468 HydrophobicContact CD1-CD2 3.65Å; Y393-L468 HydrophobicContact CE1-CD2 4.42Å; Y393-L468 HydrophobicContact CG-CD2 4.31Å; Y393-E471 HydrophobicContact CD2-CB 4.33Å; Y393-E471 HydrophobicContact CE1-CB 4.05Å; Y393-E471 HydrophobicContact CE1-CG 4.26Å; Y393-E471 HydrophobicContact CE2-CB 3.8Å; Y393-E471 PolarHBondContact OH-OE2 2.77Å; Y393-I472 HydrophobicContact CD2-CG1 4Å; Y393-I472 HydrophobicContact CG-CG1 4.31Å
394	C	90.9	Very high	87.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-39.8	178.1	-73.9	0	0	0	0	114	L390 K396 W397 W398 C507 W510	L390-C394 WeakPolarHBondContact O-CB 3.46Å; L390-C394 PolarHBondContact O-N 3.18Å; L390-C394 PolarHBondContact O-SG 2.75Å; C394-K396 VanDerWaalsContact C-N 3.25Å; C394-K396 PolarHBondContact O-N 3.31Å; C394-W397 WeakPolarHBondContact O-CB 3.34Å; C394-W397 PolarHBondContact O-N 2.82Å; C394-W398 HydrophobicContact CB-CH2 4.43Å; C394-W398 HydrophobicContact CB-CZ2 4.26Å; C394-W398 VanDerWaalsContact O-CG 3.31Å; C394-W398 PolarHBondContact O-N 3.1Å; C394-C507 WeakPolarHBondContact CA-SG 3.33Å; C394-C507 HydrophobicContact CB-CB 3.6Å; C394-C507 WeakPolarHBondContact CB-SG 3.28Å; C394-C507 WeakPolarHBondContact SG-CA 3.28Å; C394-C507 WeakPolarHBondContact SG-CB 3.32Å; C394-C507 CovalentContact SG-SG 2.05Å; C394-C507 PolarHBondContact SG-SG 2.87Å; C394-W510 HydrophobicContact CB-CE3 3.95Å; C394-W510 HydrophobicContact CB-CZ3 4.07Å
395	P	88.3	Confident	87.9	Confident	42 Å²	42	42.2 Å²	42.2	27%	0.273	20%	0.198	S	C	.	.	H	α-helix	trans	-60.6	-34	171.8	-25.7	35.7	0	0	0	113.4	A391 W398 S399 F523	A391-P395 WeakPolarHBondContact O-CD 3.39Å; A391-P395 VanDerWaalsContact O-CG 3.29Å; A391-P395 WeakPolarHBondContact O-CG 3.14Å; P395-W398 PolarHBondContact O-N 3.48Å; P395-S399 WeakPolarHBondContact O-CB 3.11Å; P395-S399 PolarHBondContact O-N 3.1Å; P395-F523 HydrophobicContact CG-CD1 3.85Å; P395-F523 HydrophobicContact CG-CE1 4.1Å
396	K	90.9	Very high	87.8	Confident	85 Å²	85	41.2 Å²	41.2	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-67.7	-43.3	176.1	-59.5	179.4	-176.2	170.5	0	111.2	A392 Y393 C394 W398 S399 F400	A392-K396 WeakPolarHBondContact O-CE 3.35Å; Y393-K396 HydrophobicContact CD1-CD 4Å; Y393-K396 HydrophobicContact CE1-CD 4.5Å; Y393-K396 WeakPolarHBondContact O-CB 3.4Å; Y393-K396 PolarHBondContact O-N 3.27Å; Y393-K396 VanDerWaalsContact O-N 3.11Å; C394-K396 VanDerWaalsContact C-N 3.25Å; C394-K396 PolarHBondContact O-N 3.31Å; K396-W398 PolarHBondContact O-N 3.29Å; K396-S399 PolarHBondContact O-N 3.34Å; K396-F400 WeakPolarHBondContact O-CB 3.49Å; K396-F400 PolarHBondContact O-N 3Å
397	W	93.1	Very high	87.5	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-50.4	172.2	171.1	-116.5	0	0	0	111.6	Y393 C394 S399 F400 V401 I448 V461 Y464 A465 L468 V500 L503 N504	Y393-W397 PolarHBondContact O-N 3.42Å; C394-W397 WeakPolarHBondContact O-CB 3.34Å; C394-W397 PolarHBondContact O-N 2.82Å; W397-S399 PolarHBondContact O-N 3.06Å; W397-F400 HydrophobicContact CE3-CD1 4.33Å; W397-F400 HydrophobicContact CZ3-CD1 4.09Å; W397-F400 HydrophobicContact CZ3-CE1 4.4Å; W397-F400 PolarHBondContact O-N 3.06Å; W397-V401 HydrophobicContact CD2-CG2 3.73Å; W397-V401 VanDerWaalsContact CE2-CG2 3.43Å; W397-V401 HydrophobicContact CE3-CG2 3.86Å; W397-V401 HydrophobicContact CH2-CG2 3.48Å; W397-V401 VanDerWaalsContact CH2-CG2 3.48Å; W397-V401 HydrophobicContact CZ2-CG2 3.32Å; W397-V401 HydrophobicContact CZ3-CG2 3.74Å; W397-V401 WeakPolarHBondContact O-CG2 3.43Å; W397-V401 PolarHBondContact O-N 2.74Å; W397-I448 HydrophobicContact CH2-CG2 4.47Å; W397-I448 HydrophobicContact CZ2-CG2 4.03Å; W397-V461 HydrophobicContact CH2-CG1 4.15Å; W397-V461 HydrophobicContact CZ3-CG1 4.5Å; W397-Y464 HydrophobicContact CE3-CD1 4.15Å; W397-Y464 HydrophobicContact CZ3-CD1 4.42Å; W397-A465 HydrophobicContact CH2-CB 4.32Å; W397-A465 HydrophobicContact CZ3-CB 4.01Å; W397-L468 HydrophobicContact CB-CD1 3.67Å; W397-L468 HydrophobicContact CE3-CD1 4.19Å; W397-V500 HydrophobicContact CH2-CG1 3.9Å; W397-V500 HydrophobicContact CZ2-CG1 4.01Å; W397-L503 HydrophobicContact CD2-CD2 3.63Å; W397-L503 HydrophobicContact CD2-CG 4.04Å; W397-L503 HydrophobicContact CE3-CD2 3.57Å; W397-L503 HydrophobicContact CE3-CG 4.47Å; W397-L503 HydrophobicContact CG-CD2 4.11Å; W397-L503 HydrophobicContact CG-CG 4.19Å; W397-L503 HydrophobicContact CH2-CD2 4.35Å; W397-L503 HydrophobicContact CZ2-CD2 4.39Å; W397-L503 HydrophobicContact CZ3-CD2 3.96Å; W397-N504 HydrophobicContact CZ2-CB 4.41Å; W397-N504 PolarHBondContact NE1-OD1 2.97Å
398	W	90.7	Very high	87.3	Confident	9 Å²	9	39.2 Å²	39.2	3%	0.034	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-43.6	179.8	-63.5	-26.1	0	0	0	112.5	C394 P395 K396 F400 V401 S402 N409 I412 C413 L415 C507 W510 Y511	C394-W398 HydrophobicContact CB-CH2 4.43Å; C394-W398 HydrophobicContact CB-CZ2 4.26Å; C394-W398 VanDerWaalsContact O-CG 3.31Å; C394-W398 PolarHBondContact O-N 3.1Å; P395-W398 PolarHBondContact O-N 3.48Å; K396-W398 PolarHBondContact O-N 3.29Å; W398-F400 VanDerWaalsContact C-N 3.3Å; W398-F400 PolarHBondContact O-N 2.76Å; W398-V401 PolarHBondContact O-N 2.81Å; W398-S402 WeakPolarHBondContact O-CB 3.42Å; W398-S402 PolarHBondContact O-N 3.19Å; W398-N409 PolarHBondContact O-OD1 3.41Å; W398-I412 HydrophobicContact CB-CD1 3.81Å; W398-I412 HydrophobicContact CG-CB 4.45Å; W398-I412 HydrophobicContact CG-CD1 4.33Å; W398-I412 HydrophobicContact CG-CG2 4.25Å; W398-I412 WeakPolarHBondContact O-CD1 3.34Å; W398-C413 VanDerWaalsContact CZ2-SG 3.6Å; W398-C413 PolarHBondContact NE1-SG 3.13Å; W398-L415 HydrophobicContact CE3-CD1 4.02Å; W398-L415 HydrophobicContact CH2-CD1 4.49Å; W398-L415 HydrophobicContact CH2-CD2 4.21Å; W398-L415 HydrophobicContact CZ3-CD1 3.89Å; W398-L415 HydrophobicContact CZ3-CD2 4.39Å; W398-C507 HydrophobicContact CZ2-CB 3.94Å; W398-W510 HydrophobicContact CH2-CE3 4.17Å; W398-W510 AromaticContact CH2-CZ3 3.78Å; W398-W510 HydrophobicContact CH2-CZ3 3.78Å; W398-W510 HydrophobicContact CZ3-CZ3 4.29Å; W398-Y511 AromaticContact CH2-CD2 3.81Å; W398-Y511 HydrophobicContact CH2-CD2 3.81Å; W398-Y511 HydrophobicContact CH2-CG 4.04Å; W398-Y511 HydrophobicContact CZ3-CD2 4.32Å
399	S	90.9	Very high	87.1	Confident	64 Å²	64	41.1 Å²	41.1	45%	0.448	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-40.9	175.5	-172.3	0	0	0	0	112.4	P395 K396 W397 F403 N409	P395-S399 WeakPolarHBondContact O-CB 3.11Å; P395-S399 PolarHBondContact O-N 3.1Å; K396-S399 PolarHBondContact O-N 3.34Å; W397-S399 PolarHBondContact O-N 3.06Å; S399-F403 PolarHBondContact O-N 3.43Å; S399-N409 WeakPolarHBondContact CA-OD1 3.31Å
400	F	92.3	Very high	86.5	Confident	43 Å²	43	44.1 Å²	44.1	19%	0.189	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-47.5	178.2	173.9	-93.9	0	0	0	111.6	K396 W397 W398 H404 V461 Y464	K396-F400 WeakPolarHBondContact O-CB 3.49Å; K396-F400 PolarHBondContact O-N 3Å; W397-F400 HydrophobicContact CE3-CD1 4.33Å; W397-F400 HydrophobicContact CZ3-CD1 4.09Å; W397-F400 HydrophobicContact CZ3-CE1 4.4Å; W397-F400 PolarHBondContact O-N 3.06Å; W398-F400 VanDerWaalsContact C-N 3.3Å; W398-F400 PolarHBondContact O-N 2.76Å; F400-H404 AromaticContact CD2-CE1 3.99Å; F400-H404 AromaticContact CE1-CE1 3.98Å; F400-H404 AromaticContact CE2-CE1 3.5Å; F400-H404 AromaticContact CZ-CE1 3.49Å; F400-H404 VanDerWaalsContact CZ-CE1 3.49Å; F400-H404 WeakPolarHBondContact CZ-CE1 3.43Å; F400-H404 PolarHBondContact O-ND1 2.82Å; F400-V461 HydrophobicContact CE1-CB 4.21Å; F400-V461 HydrophobicContact CE1-CG1 4.46Å; F400-V461 HydrophobicContact CE1-CG2 3.8Å; F400-V461 HydrophobicContact CZ-CG2 4.11Å; F400-Y464 HydrophobicContact CB-CD1 3.79Å; F400-Y464 HydrophobicContact CB-CE1 3.36Å; F400-Y464 AromaticContact CD1-CD1 3.47Å; F400-Y464 HydrophobicContact CD1-CD1 3.47Å; F400-Y464 VanDerWaalsContact CD1-CD1 3.47Å; F400-Y464 HydrophobicContact CD1-CE1 4Å; F400-Y464 HydrophobicContact CD1-CG 4.3Å; F400-Y464 AromaticContact CD2-CD1 3.73Å; F400-Y464 HydrophobicContact CD2-CD1 3.73Å; F400-Y464 AromaticContact CD2-CE1 3.93Å; F400-Y464 HydrophobicContact CD2-CE1 3.93Å; F400-Y464 HydrophobicContact CD2-CG 4.09Å; F400-Y464 AromaticContact CE1-CD1 3.92Å; F400-Y464 HydrophobicContact CE1-CD1 3.92Å; F400-Y464 HydrophobicContact CE1-CG 4.35Å; F400-Y464 HydrophobicContact CE2-CD1 4.15Å; F400-Y464 HydrophobicContact CE2-CG 4.14Å; F400-Y464 AromaticContact CG-CD1 3.37Å; F400-Y464 HydrophobicContact CG-CD1 3.37Å; F400-Y464 AromaticContact CG-CE1 3.5Å; F400-Y464 HydrophobicContact CG-CE1 3.5Å; F400-Y464 VanDerWaalsContact CG-CE1 3.5Å; F400-Y464 HydrophobicContact CG-CG 4.17Å; F400-Y464 HydrophobicContact CZ-CD1 4.24Å; F400-Y464 HydrophobicContact CZ-CG 4.28Å
401	V	89.9	Confident	86	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-46	179.5	166.1	0	0	0	0	111.6	W397 W398 F403 H404 I405 I412 I448	W397-V401 HydrophobicContact CD2-CG2 3.73Å; W397-V401 VanDerWaalsContact CE2-CG2 3.43Å; W397-V401 HydrophobicContact CE3-CG2 3.86Å; W397-V401 HydrophobicContact CH2-CG2 3.48Å; W397-V401 VanDerWaalsContact CH2-CG2 3.48Å; W397-V401 HydrophobicContact CZ2-CG2 3.32Å; W397-V401 HydrophobicContact CZ3-CG2 3.74Å; W397-V401 WeakPolarHBondContact O-CG2 3.43Å; W397-V401 PolarHBondContact O-N 2.74Å; W398-V401 PolarHBondContact O-N 2.81Å; V401-F403 PolarHBondContact O-N 2.83Å; V401-H404 PolarHBondContact O-N 3.31Å; V401-I405 HydrophobicContact CG1-CD1 3.86Å; V401-I405 HydrophobicContact CG1-CG1 4.18Å; V401-I405 HydrophobicContact CG1-CG2 4.27Å; V401-I405 WeakPolarHBondContact O-CG1 3.45Å; V401-I405 PolarHBondContact O-N 2.77Å; V401-I412 HydrophobicContact CB-CD1 4.24Å; V401-I412 HydrophobicContact CG1-CD1 4.09Å; V401-I448 HydrophobicContact CG1-CD1 3.76Å; V401-I448 HydrophobicContact CG1-CG1 3.5Å
402	S	89.8	Confident	85.9	Confident	20 Å²	20	45.2 Å²	45.2	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-50.4	-44.8	179.8	168.9	0	0	0	0	111.7	W398 H404 I405 G406 T407 N409	W398-S402 WeakPolarHBondContact O-CB 3.42Å; W398-S402 PolarHBondContact O-N 3.19Å; S402-H404 VanDerWaalsContact C-N 3.32Å; S402-H404 PolarHBondContact O-N 2.94Å; S402-I405 PolarHBondContact O-N 2.68Å; S402-G406 WeakPolarHBondContact O-CA 3.43Å; S402-G406 PolarHBondContact O-N 3.14Å; S402-T407 WeakPolarHBondContact CA-O 3.45Å; S402-T407 WeakPolarHBondContact CB-O 3.46Å; S402-T407 PolarHBondContact O-N 3.43Å; S402-T407 PolarHBondContact OG-O 3.37Å; S402-N409 WeakPolarHBondContact CB-OD1 3.42Å; S402-N409 PolarHBondContact OG-OD1 3.4Å
403	F	88.5	Confident	85.9	Confident	170 Å²	170	44.4 Å²	44.4	75%	0.746	25%	0.248	S	C	*	.	H	α-helix	trans	-58.9	-41.3	176.8	179.3	-99.9	0	0	0	112.6	S399 V401	S399-F403 PolarHBondContact O-N 3.43Å; V401-F403 PolarHBondContact O-N 2.83Å
404	H	87.5	Confident	85.1	Confident	61 Å²	61	45 Å²	45	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-78.8	-35.8	-177.8	-69.7	88.2	0	0	0	113.7	F400 V401 S402 L451	F400-H404 AromaticContact CD2-CE1 3.99Å; F400-H404 AromaticContact CE1-CE1 3.98Å; F400-H404 AromaticContact CE2-CE1 3.5Å; F400-H404 AromaticContact CZ-CE1 3.49Å; F400-H404 VanDerWaalsContact CZ-CE1 3.49Å; F400-H404 WeakPolarHBondContact CZ-CE1 3.43Å; F400-H404 PolarHBondContact O-ND1 2.82Å; V401-H404 PolarHBondContact O-N 3.31Å; S402-H404 VanDerWaalsContact C-N 3.32Å; S402-H404 PolarHBondContact O-N 2.94Å; H404-L451 HydrophobicContact CB-CD1 3.69Å; H404-L451 HydrophobicContact CB-CD2 3.81Å; H404-L451 HydrophobicContact CB-CG 4.42Å
405	I	85	Confident	83.6	Confident	32 Å²	32	46.2 Å²	46.2	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-92.3	-8	-178	67	172.5	0	0	0	113.7	V401 S402 T407 I412 T444 K447 L451	V401-I405 HydrophobicContact CG1-CD1 3.86Å; V401-I405 HydrophobicContact CG1-CG1 4.18Å; V401-I405 HydrophobicContact CG1-CG2 4.27Å; V401-I405 WeakPolarHBondContact O-CG1 3.45Å; V401-I405 PolarHBondContact O-N 2.77Å; S402-I405 PolarHBondContact O-N 2.68Å; I405-T407 VanDerWaalsContact C-N 3.31Å; I405-T407 WeakPolarHBondContact CD1-OG1 3.28Å; I405-T407 WeakPolarHBondContact CG1-OG1 3.13Å; I405-T407 PolarHBondContact O-N 3.2Å; I405-T407 PolarHBondContact O-OG1 3.28Å; I405-I412 HydrophobicContact CD1-CG1 4.48Å; I405-T444 HydrophobicContact CD1-CG2 4.22Å; I405-K447 HydrophobicContact CG2-CB 4.24Å; I405-L451 HydrophobicContact CG2-CD1 3.89Å; I405-L451 HydrophobicContact CG2-CD2 4Å; I405-L451 HydrophobicContact CG2-CG 4.03Å
406	G	81.2	Confident	81.8	Confident	73 Å²	73	54 Å²	54	75%	0.753	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	31.2	-178.2	0	0	0	0	0	113.8	S402	S402-G406 WeakPolarHBondContact O-CA 3.43Å; S402-G406 PolarHBondContact O-N 3.14Å
407	T	78.8	Confident	79.5	Confident	33 Å²	33	57 Å²	57	20%	0.202	30%	0.298	C	S	.	.			trans	-121.4	143	-179.7	-36.9	0	0	0	0	108.9	S402 I405 S411	S402-T407 WeakPolarHBondContact CA-O 3.45Å; S402-T407 WeakPolarHBondContact CB-O 3.46Å; S402-T407 PolarHBondContact O-N 3.43Å; S402-T407 PolarHBondContact OG-O 3.37Å; I405-T407 VanDerWaalsContact C-N 3.31Å; I405-T407 WeakPolarHBondContact CD1-OG1 3.28Å; I405-T407 WeakPolarHBondContact CG1-OG1 3.13Å; I405-T407 PolarHBondContact O-N 3.2Å; I405-T407 PolarHBondContact O-OG1 3.28Å; T407-S411 WeakPolarHBondContact CG2-OG 3.41Å
408	S	81.9	Confident	76.7	Confident	60 Å²	60	58.9 Å²	58.9	42%	0.42	32%	0.318	S	S	.	.			trans	-65.6	152.9	-174	85	0	0	0	0	112.3	E410 S411	S408-E410 WeakPolarHBondContact CB-OE2 3.41Å; S408-E410 PolarHBondContact O-N 3.09Å; S408-E410 VanDerWaalsContact O-N 3.15Å; S408-E410 PolarHBondContact OG-OE2 2.86Å; S408-S411 PolarHBondContact N-OG 3.3Å; S408-S411 PolarHBondContact O-N 3.46Å; S408-S411 PolarHBondContact O-OG 2.9Å
409	N	79	Confident	73.7	Confident	54 Å²	54	68.5 Å²	68.5	29%	0.289	36%	0.361	S	S	.	.	H	α-helix	trans	-52.8	-38.6	176.7	-70.3	-9	0	0	0	111.4	W398 S399 S402 S411 I412 L415	W398-N409 PolarHBondContact O-OD1 3.41Å; S399-N409 WeakPolarHBondContact CA-OD1 3.31Å; S402-N409 WeakPolarHBondContact CB-OD1 3.42Å; S402-N409 PolarHBondContact OG-OD1 3.4Å; N409-S411 PolarHBondContact O-N 3.37Å; N409-I412 PolarHBondContact O-N 3.28Å; N409-L415 WeakPolarHBondContact O-CD1 3.42Å
410	E	72	Confident	70.5	Confident	108 Å²	108	70.8 Å²	70.8	51%	0.505	38%	0.376	S	S	.	.	H	α-helix	trans	-66.9	-16.3	-179.5	-52.4	77	-165.3	0	0	113.8	S408 E414 L415	S408-E410 WeakPolarHBondContact CB-OE2 3.41Å; S408-E410 PolarHBondContact O-N 3.09Å; S408-E410 VanDerWaalsContact O-N 3.15Å; S408-E410 PolarHBondContact OG-OE2 2.86Å; E410-E414 CarbonylContact O-C 3.54Å; E410-L415 HydrophobicContact CB-CB 4.15Å; E410-L415 VanDerWaalsContact O-CA 3.28Å; E410-L415 WeakPolarHBondContact O-CA 3.34Å; E410-L415 WeakPolarHBondContact O-CB 3.46Å; E410-L415 WeakPolarHBondContact O-CG 3.27Å; E410-L415 PolarHBondContact O-N 3.08Å
411	S	78.4	Confident	67.2	Low	28 Å²	28	76.5 Å²	76.5	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-95.2	-15.4	-179.1	66.8	0	0	0	0	113.5	T407 S408 N409 C413 E414	T407-S411 WeakPolarHBondContact CG2-OG 3.41Å; S408-S411 PolarHBondContact N-OG 3.3Å; S408-S411 PolarHBondContact O-N 3.46Å; S408-S411 PolarHBondContact O-OG 2.9Å; N409-S411 PolarHBondContact O-N 3.37Å; S411-C413 VanDerWaalsContact C-N 3.35Å; S411-C413 PolarHBondContact O-N 3.45Å; S411-E414 PolarHBondContact O-N 3.36Å; S411-E414 VanDerWaalsContact O-N 3.17Å
412	I	83.2	Confident	63.9	Low	0 Å²	0	85 Å²	85	0%	0	44%	0.441	C	S	.	.	H	α-helix	trans	-63.7	-41.6	-170.4	-69.5	173.5	0	0	0	111.8	W398 V401 I405 N409 T444 I448	W398-I412 HydrophobicContact CB-CD1 3.81Å; W398-I412 HydrophobicContact CG-CB 4.45Å; W398-I412 HydrophobicContact CG-CD1 4.33Å; W398-I412 HydrophobicContact CG-CG2 4.25Å; W398-I412 WeakPolarHBondContact O-CD1 3.34Å; V401-I412 HydrophobicContact CB-CD1 4.24Å; V401-I412 HydrophobicContact CG1-CD1 4.09Å; I405-I412 HydrophobicContact CD1-CG1 4.48Å; N409-I412 PolarHBondContact O-N 3.28Å; I412-T444 HydrophobicContact CB-CG2 4.26Å; I412-T444 HydrophobicContact CG1-CG2 4.32Å; I412-T444 HydrophobicContact CG2-CG2 4.06Å; I412-T444 WeakPolarHBondContact O-CG2 3.48Å; I412-I448 HydrophobicContact CG2-CD1 4.47Å
413	C	83.8	Confident	60.8	Low	0 Å²	0	92.1 Å²	92.1	0%	0	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	32.2	170.5	-51.6	0	0	0	0	111.4	M110 W398 S411 L415 C508 H512	M110-C413 VanDerWaalsContact CE-C 3.49Å; M110-C413 WeakPolarHBondContact CE-O 3.09Å; M110-C413 HydrophobicContact SD-CB 4.19Å; W398-C413 VanDerWaalsContact CZ2-SG 3.6Å; W398-C413 PolarHBondContact NE1-SG 3.13Å; S411-C413 VanDerWaalsContact C-N 3.35Å; S411-C413 PolarHBondContact O-N 3.45Å; C413-L415 VanDerWaalsContact C-N 3.29Å; C413-L415 HydrophobicContact CB-CD2 3.71Å; C413-L415 PolarHBondContact O-N 2.9Å; C413-C508 HydrophobicContact CB-CB 3.72Å; C413-C508 WeakPolarHBondContact CB-SG 3.21Å; C413-C508 WeakPolarHBondContact SG-CA 3.44Å; C413-C508 WeakPolarHBondContact SG-CB 3.46Å; C413-C508 CovalentContact SG-SG 2.04Å; C413-C508 PolarHBondContact SG-SG 3.03Å; C413-H512 PolarHBondContact O-NE2 3.42Å
414	E	71.6	Confident	57.6	Low	62 Å²	62	90 Å²	90	29%	0.29	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	46.4	-177.1	-55.7	-72.8	176.2	0	0	112.4	A106 N109 M110 E410 S411 R416	A106-E414 HydrophobicContact CB-CG 4.17Å; N109-E414 PolarHBondContact ND2-OE1 3.17Å; M110-E414 HydrophobicContact CE-CB 3.67Å; M110-E414 HydrophobicContact CE-CG 3.74Å; E410-E414 CarbonylContact O-C 3.54Å; S411-E414 PolarHBondContact O-N 3.36Å; S411-E414 VanDerWaalsContact O-N 3.17Å; E414-R416 PolarHBondContact O-N 3.25Å
415	L	59.3	Low	54.5	Low	27 Å²	27	90.3 Å²	90.3	14%	0.141	50%	0.496	C	S	.	.			trans	-64	23.7	-178.6	-42.2	-175.6	0	0	0	114	W398 N409 E410 C413 E417 Y511	W398-L415 HydrophobicContact CE3-CD1 4.02Å; W398-L415 HydrophobicContact CH2-CD1 4.49Å; W398-L415 HydrophobicContact CH2-CD2 4.21Å; W398-L415 HydrophobicContact CZ3-CD1 3.89Å; W398-L415 HydrophobicContact CZ3-CD2 4.39Å; N409-L415 WeakPolarHBondContact O-CD1 3.42Å; E410-L415 HydrophobicContact CB-CB 4.15Å; E410-L415 VanDerWaalsContact O-CA 3.28Å; E410-L415 WeakPolarHBondContact O-CA 3.34Å; E410-L415 WeakPolarHBondContact O-CB 3.46Å; E410-L415 WeakPolarHBondContact O-CG 3.27Å; E410-L415 PolarHBondContact O-N 3.08Å; C413-L415 VanDerWaalsContact C-N 3.29Å; C413-L415 HydrophobicContact CB-CD2 3.71Å; C413-L415 PolarHBondContact O-N 2.9Å; L415-E417 PolarHBondContact O-N 3.05Å; L415-Y511 HydrophobicContact CB-CE1 4.21Å; L415-Y511 HydrophobicContact CD1-CE2 4.48Å; L415-Y511 HydrophobicContact CD2-CD1 3.43Å; L415-Y511 VanDerWaalsContact CD2-CD1 3.43Å; L415-Y511 HydrophobicContact CD2-CD2 3.77Å; L415-Y511 HydrophobicContact CD2-CE1 3.27Å; L415-Y511 HydrophobicContact CD2-CE2 3.6Å; L415-Y511 HydrophobicContact CD2-CG 3.67Å; L415-Y511 HydrophobicContact CG-CE1 4.33Å; L415-Y511 HydrophobicContact CG-CE2 4.44Å
416	R	51.3	Low	51.6	Low	206 Å²	206	95.1 Å²	95.1	78%	0.777	52%	0.522	S	S	*	.			trans	-76.9	90.7	174.2	-71.1	-174.5	178.4	-170.1	1	109.7	E414 G418	E414-R416 PolarHBondContact O-N 3.25Å; R416-G418 PolarHBondContact O-N 2.82Å; R416-G418 VanDerWaalsContact O-N 3.09Å
417	E	41.3	Very low	48.8	Very low	146 Å²	146	99.7 Å²	99.7	68%	0.682	53%	0.53	S	S	*	.			trans	-70.6	8.7	174.6	-84.7	-178.4	-173.5	0	0	114.6	L415 Y511 R515	L415-E417 PolarHBondContact O-N 3.05Å; E417-Y511 PolarHBondContact OE1-OH 3.16Å; E417-R515 IonicContact OE1-CZ 3.78Å; E417-R515 VanDerWaalsContact OE1-CZ 3.24Å; E417-R515 IonicContact OE1-NH1 3.97Å; E417-R515 PolarHBondContact OE1-NH1 3.2Å; E417-R515 IonicContact OE1-NH2 2.59Å; E417-R515 PolarHBondContact OE1-NH2 3.15Å
418	G	33.8	Very low	46.4	Very low	41 Å²	41	103.3 Å²	103.3	42%	0.423	56%	0.556	S	S	.	*	S	Bend	trans	-155.2	147.5	177.3	0	0	0	0	0	112.7	R416	R416-G418 PolarHBondContact O-N 2.82Å; R416-G418 VanDerWaalsContact O-N 3.09Å
419	F	28	Very low	43.7	Very low	211 Å²	211	106.2 Å²	106.2	93%	0.925	58%	0.577	S	S	*	*			trans	81.8	76.4	174.2	-54.6	-81.3	0	0	0	116.7	E421	F419-E421 PolarHBondContact O-N 2.75Å
420	S	23.2	Very low	41.3	Very low	112 Å²	112	108.7 Å²	108.7	78%	0.783	60%	0.598	S	S	*	*			trans	-83.9	86.4	149.1	64.7	0	0	0	0	109.4
421	E	22.9	Very low	39.2	Very low	163 Å²	163	108.5 Å²	108.5	76%	0.762	61%	0.609	S	S	*	*			trans	-157	123.3	163.8	-114.2	175.1	-155.8	0	0	111.2	F419	F419-E421 PolarHBondContact O-N 2.75Å
422	F	22.3	Very low	36.9	Very low	179 Å²	179	115.6 Å²	115.6	79%	0.785	64%	0.641	S	S	*	*			trans	64.1	105.6	165.9	-65.7	-84.5	0	0	0	120
423	I	23.2	Very low	34.4	Very low	169 Å²	169	121.6 Å²	121.6	87%	0.867	68%	0.683	S	S	*	*			trans	-115.6	117.4	153.7	-62	178.9	0	0	0	108.6
424	T	22.3	Very low	31.8	Very low	124 Å²	124	124.2 Å²	124.2	76%	0.761	71%	0.71	S	S	*	*			trans	-84.4	147.3	172.8	46.1	0	0	0	0	111.6
425	G	21.4	Very low	29.8	Very low	68 Å²	68	124.3 Å²	124.3	70%	0.701	71%	0.712	S	S	*	*			trans	-78.1	171.9	-168.8	0	0	0	0	0	116.6
426	D	24	Very low	28.8	Very low	133 Å²	133	128.9 Å²	128.9	71%	0.711	74%	0.736	S	S	*	*			trans	-153	138.1	158.4	-95.2	-33.7	0	0	0	109.6
427	N	23.4	Very low	28.1	Very low	170 Å²	170	127.1 Å²	127.1	91%	0.909	74%	0.737	S	S	*	*			trans	-93	132.2	-174.5	-74.3	-32	0	0	0	111.5
428	S	28.4	Very low	28	Very low	108 Å²	108	122.5 Å²	122.5	76%	0.755	72%	0.721	S	S	*	*			trans	-160.4	131	154.5	59	0	0	0	0	111.6
429	S	25.4	Very low	28.5	Very low	122 Å²	122	122.7 Å²	122.7	85%	0.853	71%	0.711	S	S	*	*			trans	-88	133.3	-178.3	50.9	0	0	0	0	112.6
430	S	27.5	Very low	29.4	Very low	106 Å²	106	114.3 Å²	114.3	74%	0.741	67%	0.674	S	S	*	*			trans	-157	158.2	165.7	59.4	0	0	0	0	113.7
431	S	28.8	Very low	30.6	Very low	103 Å²	103	113.4 Å²	113.4	72%	0.72	66%	0.66	S	S	*	*			trans	-70.3	159.7	-163.8	56.5	0	0	0	0	117.8
432	M	30.2	Very low	32.4	Very low	177 Å²	177	110.9 Å²	110.9	87%	0.872	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-12.3	-145.6	-150	80.3	76.2	0	0	118.4
433	S	29.6	Very low	34.8	Very low	126 Å²	126	102.3 Å²	102.3	88%	0.881	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-9.6	-170.5	62.6	0	0	0	0	116.2
434	G	29.4	Very low	37.3	Very low	56 Å²	56	94.8 Å²	94.8	58%	0.577	58%	0.576	S	S	*	*	S	Bend	trans	-97.7	-4.6	176.2	0	0	0	0	0	115	L436	G434-L436 PolarHBondContact O-N 3.38Å
435	L	30.1	Very low	40	Very low	63 Å²	63	89.1 Å²	89.1	33%	0.33	54%	0.541	S	S	.	.	H	α-helix	trans	-74.8	-27.7	-165.2	-123.2	86.8	0	0	0	114.4	Q437 S438 H439	L435-Q437 PolarHBondContact O-N 3.13Å; L435-S438 PolarHBondContact O-N 3.09Å; L435-S438 VanDerWaalsContact O-N 3.13Å; L435-S438 PolarHBondContact O-OG 3.14Å; L435-H439 WeakPolarHBondContact CD2-NE2 3.43Å; L435-H439 WeakPolarHBondContact CG-NE2 3.26Å; L435-H439 PolarHBondContact O-CD2 3.46Å; L435-H439 PolarHBondContact O-N 3.29Å
436	L	38.3	Very low	42.6	Very low	124 Å²	124	86.8 Å²	86.8	65%	0.649	51%	0.514	S	S	*	.	H	α-helix	trans	-61.1	-33.1	-175.1	-78	166.6	0	0	0	112.7	G434	G434-L436 PolarHBondContact O-N 3.38Å
437	Q	35.6	Very low	45.4	Very low	168 Å²	168	83.7 Å²	83.7	79%	0.785	50%	0.495	S	S	*	.	H	α-helix	trans	-88.4	-22.6	177	-77.6	-179.8	-7.2	0	0	113	L435 L441	L435-Q437 PolarHBondContact O-N 3.13Å; Q437-L441 WeakPolarHBondContact O-CD1 3.44Å; Q437-L441 VanDerWaalsContact O-CG 3.29Å; Q437-L441 WeakPolarHBondContact O-CG 2.98Å
438	S	40	Very low	48.2	Very low	50 Å²	50	75.7 Å²	75.7	35%	0.35	45%	0.452	S	S	.	.	H	α-helix	trans	-81.8	-32.4	-171.2	66.2	0	0	0	0	114.7	L435 L441	L435-S438 PolarHBondContact O-N 3.09Å; L435-S438 VanDerWaalsContact O-N 3.13Å; L435-S438 PolarHBondContact O-OG 3.14Å; S438-L441 WeakPolarHBondContact O-CB 3.47Å; S438-L441 PolarHBondContact O-N 3.29Å
439	H	44.2	Very low	50.9	Low	44 Å²	44	72.8 Å²	72.8	20%	0.204	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-47.4	-173.4	-79.4	-78.1	0	0	0	112.7	S62 N65 Y67 L435 L441 N442	S62-H439 PolarHBondContact O-CE1 3.4Å; S62-H439 PolarHBondContact O-ND1 3.04Å; N65-H439 PolarHBondContact OD1-O 3.05Å; Y67-H439 HydrophobicContact CD1-CB 4.3Å; Y67-H439 HydrophobicContact CE1-CB 3.59Å; L435-H439 WeakPolarHBondContact CD2-NE2 3.43Å; L435-H439 WeakPolarHBondContact CG-NE2 3.26Å; L435-H439 PolarHBondContact O-CD2 3.46Å; L435-H439 PolarHBondContact O-N 3.29Å; H439-L441 PolarHBondContact O-N 3.23Å; H439-N442 PolarHBondContact O-N 3.37Å
440	K	47.5	Very low	53.7	Low	36 Å²	36	68.8 Å²	68.8	16%	0.157	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-63.8	-24.6	177.3	-127	-168.5	179.9	-177.5	0	113	Y67 P112 N114 N442 S443 S446	Y67-K440 PolarHBondContact OH-N 2.84Å; P112-K440 PolarHBondContact O-NZ 3.17Å; N114-K440 WeakPolarHBondContact OD1-CE 3.27Å; K440-N442 PolarHBondContact O-N 3.45Å; K440-S443 PolarHBondContact O-N 3.18Å; K440-S443 PolarHBondContact O-OG 3.39Å; K440-S446 WeakPolarHBondContact CD-OG 3.34Å; K440-S446 VanDerWaalsContact CG-OG 3.26Å; K440-S446 WeakPolarHBondContact CG-OG 3.49Å; K440-S446 WeakPolarHBondContact O-CB 3.39Å; K440-S446 PolarHBondContact O-OG 3.39Å
441	L	48.2	Very low	56.4	Low	92 Å²	92	64.9 Å²	64.9	48%	0.482	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-52.2	-23.5	-178.3	-75.3	166.7	0	0	0	113.3	Q437 S438 H439	Q437-L441 WeakPolarHBondContact O-CD1 3.44Å; Q437-L441 VanDerWaalsContact O-CG 3.29Å; Q437-L441 WeakPolarHBondContact O-CG 2.98Å; S438-L441 WeakPolarHBondContact O-CB 3.47Å; S438-L441 PolarHBondContact O-N 3.29Å; H439-L441 PolarHBondContact O-N 3.23Å
442	N	60.6	Low	59.1	Low	110 Å²	110	61.8 Å²	61.8	59%	0.588	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-97.5	-7.7	179.2	-73.5	-20.7	0	0	0	115.5	H439 K440 K447	H439-N442 PolarHBondContact O-N 3.37Å; K440-N442 PolarHBondContact O-N 3.45Å; N442-K447 VanDerWaalsContact O-CE 3.27Å; N442-K447 WeakPolarHBondContact O-CE 3.08Å
443	S	72.3	Confident	61.7	Low	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.34	C	S	.	.	S	Bend	trans	-67.8	147.3	174.3	83.7	0	0	0	0	110.7	N65 K440 A445 S446 K447	N65-S443 VanDerWaalsContact ND2-CA 3.28Å; N65-S443 WeakPolarHBondContact ND2-CA 3.39Å; N65-S443 WeakPolarHBondContact ND2-CB 3.36Å; N65-S443 PolarHBondContact ND2-N 3.4Å; K440-S443 PolarHBondContact O-N 3.18Å; K440-S443 PolarHBondContact O-OG 3.39Å; S443-A445 VanDerWaalsContact C-N 3.3Å; S443-A445 PolarHBondContact O-N 3.05Å; S443-S446 PolarHBondContact O-N 3.04Å; S443-S446 VanDerWaalsContact O-N 3.11Å; S443-S446 WeakPolarHBondContact OG-CB 3.36Å; S443-S446 PolarHBondContact OG-N 3.26Å; S443-S446 VanDerWaalsContact OG-N 3.15Å; S443-S446 PolarHBondContact OG-OG 3.38Å; S443-K447 WeakPolarHBondContact O-CG 3.49Å; S443-K447 PolarHBondContact O-N 2.97Å
444	T	76.7	Confident	64.2	Low	10 Å²	10	59.2 Å²	59.2	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-57.1	-47.2	178.7	-49.7	0	0	0	0	110.5	I405 I412 S446 K447 I448	I405-T444 HydrophobicContact CD1-CG2 4.22Å; I412-T444 HydrophobicContact CB-CG2 4.26Å; I412-T444 HydrophobicContact CG1-CG2 4.32Å; I412-T444 HydrophobicContact CG2-CG2 4.06Å; I412-T444 WeakPolarHBondContact O-CG2 3.48Å; T444-S446 VanDerWaalsContact C-N 3.29Å; T444-S446 PolarHBondContact O-N 3.17Å; T444-K447 PolarHBondContact O-N 3.29Å; T444-K447 VanDerWaalsContact O-N 3.17Å; T444-I448 HydrophobicContact CG2-CD1 4.08Å; T444-I448 HydrophobicContact CG2-CG1 4.48Å; T444-I448 VanDerWaalsContact O-CG1 3.24Å; T444-I448 WeakPolarHBondContact O-CG1 3.33Å; T444-I448 PolarHBondContact O-N 3.42Å
445	A	78.1	Confident	66.6	Low	5 Å²	5	64.7 Å²	64.7	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-53.7	-43.2	175.5	0	0	0	0	0	113	N109 S443 I448 L449	N109-A445 PolarHBondContact O-N 3.09Å; S443-A445 VanDerWaalsContact C-N 3.3Å; S443-A445 PolarHBondContact O-N 3.05Å; A445-I448 PolarHBondContact O-N 2.71Å; A445-L449 WeakPolarHBondContact O-CG 3.44Å; A445-L449 PolarHBondContact O-N 2.68Å
446	S	77	Confident	69	Low	19 Å²	19	66.3 Å²	66.3	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-74.6	-32	-180	-52.4	0	0	0	0	113.4	K440 S443 T444 I448 L449 A450	K440-S446 WeakPolarHBondContact CD-OG 3.34Å; K440-S446 VanDerWaalsContact CG-OG 3.26Å; K440-S446 WeakPolarHBondContact CG-OG 3.49Å; K440-S446 WeakPolarHBondContact O-CB 3.39Å; K440-S446 PolarHBondContact O-OG 3.39Å; S443-S446 PolarHBondContact O-N 3.04Å; S443-S446 VanDerWaalsContact O-N 3.11Å; S443-S446 WeakPolarHBondContact OG-CB 3.36Å; S443-S446 PolarHBondContact OG-N 3.26Å; S443-S446 VanDerWaalsContact OG-N 3.15Å; S443-S446 PolarHBondContact OG-OG 3.38Å; T444-S446 VanDerWaalsContact C-N 3.29Å; T444-S446 PolarHBondContact O-N 3.17Å; S446-I448 VanDerWaalsContact C-N 3.31Å; S446-L449 PolarHBondContact O-N 2.77Å; S446-A450 VanDerWaalsContact O-CB 3.32Å; S446-A450 WeakPolarHBondContact O-CB 3.47Å; S446-A450 PolarHBondContact O-N 2.86Å
447	K	81.6	Confident	71.2	Confident	69 Å²	69	61.9 Å²	61.9	30%	0.3	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-40.3	172.3	-72	174.2	178.9	173.1	0	111.1	I405 N442 S443 T444 A450 L451	I405-K447 HydrophobicContact CG2-CB 4.24Å; N442-K447 VanDerWaalsContact O-CE 3.27Å; N442-K447 WeakPolarHBondContact O-CE 3.08Å; S443-K447 WeakPolarHBondContact O-CG 3.49Å; S443-K447 PolarHBondContact O-N 2.97Å; T444-K447 PolarHBondContact O-N 3.29Å; T444-K447 VanDerWaalsContact O-N 3.17Å; K447-A450 WeakPolarHBondContact O-CB 3.09Å; K447-A450 PolarHBondContact O-N 3.23Å; K447-L451 PolarHBondContact O-N 3.37Å
448	I	83.6	Confident	73.5	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-48.9	174.3	-63.6	173.3	0	0	0	109.9	W397 V401 I412 T444 A445 S446 A450 L451 V500 N504	W397-I448 HydrophobicContact CH2-CG2 4.47Å; W397-I448 HydrophobicContact CZ2-CG2 4.03Å; V401-I448 HydrophobicContact CG1-CD1 3.76Å; V401-I448 HydrophobicContact CG1-CG1 3.5Å; I412-I448 HydrophobicContact CG2-CD1 4.47Å; T444-I448 HydrophobicContact CG2-CD1 4.08Å; T444-I448 HydrophobicContact CG2-CG1 4.48Å; T444-I448 VanDerWaalsContact O-CG1 3.24Å; T444-I448 WeakPolarHBondContact O-CG1 3.33Å; T444-I448 PolarHBondContact O-N 3.42Å; A445-I448 PolarHBondContact O-N 2.71Å; S446-I448 VanDerWaalsContact C-N 3.31Å; I448-A450 PolarHBondContact O-N 2.82Å; I448-L451 VanDerWaalsContact O-CB 3.24Å; I448-L451 WeakPolarHBondContact O-CB 3.46Å; I448-L451 WeakPolarHBondContact O-CG 3.45Å; I448-L451 PolarHBondContact O-N 3.13Å; I448-L451 VanDerWaalsContact O-N 3.09Å; I448-V500 HydrophobicContact CG2-CG1 3.3Å; I448-N504 HydrophobicContact CD1-CB 4.24Å; I448-N504 VanDerWaalsContact CD1-CG 3.48Å; I448-N504 VanDerWaalsContact CD1-OD1 3.31Å; I448-N504 WeakPolarHBondContact CD1-OD1 3.3Å
449	L	84.1	Confident	75.6	Confident	46 Å²	46	57 Å²	57	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-29.8	176.4	-72.1	172.9	0	0	0	112.7	A445 S446 L451 L452 G497 E501	A445-L449 WeakPolarHBondContact O-CG 3.44Å; A445-L449 PolarHBondContact O-N 2.68Å; S446-L449 PolarHBondContact O-N 2.77Å; L449-L451 PolarHBondContact O-N 3.23Å; L449-L452 HydrophobicContact CD2-CD1 4.13Å; L449-L452 WeakPolarHBondContact O-CB 3.44Å; L449-L452 PolarHBondContact O-N 3.21Å; L449-L452 VanDerWaalsContact O-N 3.12Å; L449-G497 WeakPolarHBondContact CD2-O 3.44Å; L449-E501 HydrophobicContact CD2-CB 4.28Å
450	A	84.2	Confident	77.7	Confident	39 Å²	39	59.3 Å²	59.3	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-23.4	176.1	0	0	0	0	0	113	S446 K447 I448 L452 K453	S446-A450 VanDerWaalsContact O-CB 3.32Å; S446-A450 WeakPolarHBondContact O-CB 3.47Å; S446-A450 PolarHBondContact O-N 2.86Å; K447-A450 WeakPolarHBondContact O-CB 3.09Å; K447-A450 PolarHBondContact O-N 3.23Å; I448-A450 PolarHBondContact O-N 2.82Å; A450-L452 PolarHBondContact O-N 2.49Å; A450-K453 WeakPolarHBondContact O-CB 3.28Å; A450-K453 PolarHBondContact O-N 3.42Å; A450-K453 VanDerWaalsContact O-N 3.08Å
451	L	84.9	Confident	79.6	Confident	23 Å²	23	57.6 Å²	57.6	12%	0.12	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.7	172.3	-60.4	179	0	0	0	111.9	H404 I405 K447 I448 L449 K453 N454 V457 V461	H404-L451 HydrophobicContact CB-CD1 3.69Å; H404-L451 HydrophobicContact CB-CD2 3.81Å; H404-L451 HydrophobicContact CB-CG 4.42Å; I405-L451 HydrophobicContact CG2-CD1 3.89Å; I405-L451 HydrophobicContact CG2-CD2 4Å; I405-L451 HydrophobicContact CG2-CG 4.03Å; K447-L451 PolarHBondContact O-N 3.37Å; I448-L451 VanDerWaalsContact O-CB 3.24Å; I448-L451 WeakPolarHBondContact O-CB 3.46Å; I448-L451 WeakPolarHBondContact O-CG 3.45Å; I448-L451 PolarHBondContact O-N 3.13Å; I448-L451 VanDerWaalsContact O-N 3.09Å; L449-L451 PolarHBondContact O-N 3.23Å; L451-K453 PolarHBondContact O-N 2.9Å; L451-N454 PolarHBondContact O-N 3.43Å; L451-V457 HydrophobicContact CB-CG1 4.17Å; L451-V457 HydrophobicContact CD2-CG1 4.37Å; L451-V461 HydrophobicContact CB-CG2 4.23Å; L451-V461 HydrophobicContact CD1-CG2 4.08Å
452	L	85	Confident	81.5	Confident	38 Å²	38	54 Å²	54	20%	0.199	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-72.7	-9.4	178.6	-56.8	179.8	0	0	0	113.5	L449 A450 N454 A458 V461 I462 V500	L449-L452 HydrophobicContact CD2-CD1 4.13Å; L449-L452 WeakPolarHBondContact O-CB 3.44Å; L449-L452 PolarHBondContact O-N 3.21Å; L449-L452 VanDerWaalsContact O-N 3.12Å; A450-L452 PolarHBondContact O-N 2.49Å; L452-N454 VanDerWaalsContact C-N 3.35Å; L452-A458 HydrophobicContact CB-CB 4.47Å; L452-A458 HydrophobicContact CD2-CB 4.12Å; L452-V461 HydrophobicContact CD2-CB 4.46Å; L452-V461 HydrophobicContact CD2-CG1 4.23Å; L452-I462 HydrophobicContact CD2-CD1 4.13Å; L452-I462 HydrophobicContact CD2-CG1 3.84Å; L452-V500 HydrophobicContact CD1-CB 4.45Å; L452-V500 HydrophobicContact CD1-CG2 4.38Å; L452-V500 HydrophobicContact CD2-CG2 4.28Å
453	K	84.1	Confident	82.7	Confident	165 Å²	165	52.8 Å²	52.8	72%	0.717	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-75.5	-24.7	176.1	-64	-178.6	178.2	179.7	0	112.7	A450 L451	A450-K453 WeakPolarHBondContact O-CB 3.28Å; A450-K453 PolarHBondContact O-N 3.42Å; A450-K453 VanDerWaalsContact O-N 3.08Å; L451-K453 PolarHBondContact O-N 2.9Å
454	N	83.4	Confident	83.6	Confident	85 Å²	85	56.1 Å²	56.1	46%	0.455	29%	0.285	S	S	.	.	S	Bend	trans	-97.1	115.4	177.1	-179	-1.9	0	0	0	109.4	L451 L452 T456 V457 A458	L451-N454 PolarHBondContact O-N 3.43Å; L452-N454 VanDerWaalsContact C-N 3.35Å; N454-T456 VanDerWaalsContact C-N 3.33Å; N454-T456 PolarHBondContact O-N 3.06Å; N454-T456 PolarHBondContact OD1-N 2.74Å; N454-T456 PolarHBondContact OD1-OG1 2.87Å; N454-V457 HydrophobicContact CB-CB 4.26Å; N454-V457 HydrophobicContact CB-CG2 4.36Å; N454-V457 PolarHBondContact O-N 3.02Å; N454-A458 WeakPolarHBondContact O-CB 3.49Å; N454-A458 PolarHBondContact O-N 3.37Å
455	Q	78.2	Confident	84.2	Confident	171 Å²	171	55.6 Å²	55.6	80%	0.799	28%	0.282	S	S	*	.	H	α-helix	trans	-54.6	-42.9	-172.9	-76	-176	-25.3	0	0	114.1	A458 E459	Q455-A458 PolarHBondContact O-N 3.2Å; Q455-E459 PolarHBondContact O-N 3.4Å
456	T	80.8	Confident	84.7	Confident	96 Å²	96	56.1 Å²	56.1	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-68.2	-42.8	-177.3	59.7	0	0	0	0	111.6	N454	N454-T456 VanDerWaalsContact C-N 3.33Å; N454-T456 PolarHBondContact O-N 3.06Å; N454-T456 PolarHBondContact OD1-N 2.74Å; N454-T456 PolarHBondContact OD1-OG1 2.87Å
457	V	84.7	Confident	85.2	Confident	31 Å²	31	57.2 Å²	57.2	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-72.9	-37.4	178.9	179.3	0	0	0	0	110.6	L451 N454 E459 D460 V461	L451-V457 HydrophobicContact CB-CG1 4.17Å; L451-V457 HydrophobicContact CD2-CG1 4.37Å; N454-V457 HydrophobicContact CB-CB 4.26Å; N454-V457 HydrophobicContact CB-CG2 4.36Å; N454-V457 PolarHBondContact O-N 3.02Å; V457-E459 VanDerWaalsContact C-N 3.34Å; V457-E459 PolarHBondContact O-N 3.34Å; V457-D460 PolarHBondContact O-N 3.02Å; V457-V461 HydrophobicContact CG1-CG2 3.9Å; V457-V461 WeakPolarHBondContact O-CB 3.25Å; V457-V461 WeakPolarHBondContact O-CG2 3.5Å; V457-V461 PolarHBondContact O-N 2.73Å
458	A	85.4	Confident	85.6	Confident	11 Å²	11	54.2 Å²	54.2	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-47.4	179.4	0	0	0	0	0	111.2	L452 N454 Q455 D460 V461 I462	L452-A458 HydrophobicContact CB-CB 4.47Å; L452-A458 HydrophobicContact CD2-CB 4.12Å; N454-A458 WeakPolarHBondContact O-CB 3.49Å; N454-A458 PolarHBondContact O-N 3.37Å; Q455-A458 PolarHBondContact O-N 3.2Å; A458-D460 PolarHBondContact O-N 3.06Å; A458-V461 PolarHBondContact O-N 2.76Å; A458-I462 HydrophobicContact CB-CD1 4.42Å; A458-I462 WeakPolarHBondContact O-CB 3.25Å; A458-I462 VanDerWaalsContact O-CD1 3.22Å; A458-I462 WeakPolarHBondContact O-CD1 3.47Å; A458-I462 WeakPolarHBondContact O-CG1 3.43Å; A458-I462 PolarHBondContact O-N 3.27Å
459	E	83.8	Confident	85.8	Confident	105 Å²	105	56.5 Å²	56.5	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-43.9	-179.1	-168	178.3	170.2	0	0	112	Q455 V457 K463	Q455-E459 PolarHBondContact O-N 3.4Å; V457-E459 VanDerWaalsContact C-N 3.34Å; V457-E459 PolarHBondContact O-N 3.34Å; E459-K463 HydrophobicContact CG-CD 4.22Å; E459-K463 WeakPolarHBondContact O-CB 3.14Å; E459-K463 VanDerWaalsContact O-CG 3.29Å; E459-K463 WeakPolarHBondContact O-CG 3.36Å; E459-K463 PolarHBondContact O-N 3.16Å; E459-K463 VanDerWaalsContact OE1-CE 3.23Å; E459-K463 WeakPolarHBondContact OE1-CE 3.46Å; E459-K463 IonicContact OE1-NZ 2.69Å; E459-K463 PolarHBondContact OE1-NZ 3.02Å
460	D	87	Confident	85.8	Confident	93 Å²	93	56.1 Å²	56.1	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-43.4	177.2	-71.9	-20.1	0	0	0	111.9	V457 A458 Y464	V457-D460 PolarHBondContact O-N 3.02Å; A458-D460 PolarHBondContact O-N 3.06Å; D460-Y464 VanDerWaalsContact O-CB 3.3Å; D460-Y464 WeakPolarHBondContact O-CB 3.42Å; D460-Y464 PolarHBondContact O-N 3.19Å
461	V	88.9	Confident	85.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-45.5	177.8	172.8	0	0	0	0	111.2	W397 F400 L451 L452 V457 A458 Y464 A465 V500	W397-V461 HydrophobicContact CH2-CG1 4.15Å; W397-V461 HydrophobicContact CZ3-CG1 4.5Å; F400-V461 HydrophobicContact CE1-CB 4.21Å; F400-V461 HydrophobicContact CE1-CG1 4.46Å; F400-V461 HydrophobicContact CE1-CG2 3.8Å; F400-V461 HydrophobicContact CZ-CG2 4.11Å; L451-V461 HydrophobicContact CB-CG2 4.23Å; L451-V461 HydrophobicContact CD1-CG2 4.08Å; L452-V461 HydrophobicContact CD2-CB 4.46Å; L452-V461 HydrophobicContact CD2-CG1 4.23Å; V457-V461 HydrophobicContact CG1-CG2 3.9Å; V457-V461 WeakPolarHBondContact O-CB 3.25Å; V457-V461 WeakPolarHBondContact O-CG2 3.5Å; V457-V461 PolarHBondContact O-N 2.73Å; A458-V461 PolarHBondContact O-N 2.76Å; V461-Y464 PolarHBondContact O-N 3.24Å; V461-A465 VanDerWaalsContact O-CB 3.29Å; V461-A465 WeakPolarHBondContact O-CB 3.42Å; V461-A465 PolarHBondContact O-N 2.98Å; V461-V500 HydrophobicContact CG1-CG1 4.42Å; V461-V500 HydrophobicContact CG1-CG2 3.87Å
462	I	86.5	Confident	85.8	Confident	17 Å²	17	57 Å²	57	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-49.1	-179.5	-64.9	157.4	0	0	0	110.1	L452 A458 Y464 A465 V466 Y491 S496	L452-I462 HydrophobicContact CD2-CD1 4.13Å; L452-I462 HydrophobicContact CD2-CG1 3.84Å; A458-I462 HydrophobicContact CB-CD1 4.42Å; A458-I462 WeakPolarHBondContact O-CB 3.25Å; A458-I462 VanDerWaalsContact O-CD1 3.22Å; A458-I462 WeakPolarHBondContact O-CD1 3.47Å; A458-I462 WeakPolarHBondContact O-CG1 3.43Å; A458-I462 PolarHBondContact O-N 3.27Å; I462-Y464 VanDerWaalsContact C-N 3.27Å; I462-Y464 PolarHBondContact O-N 3.08Å; I462-A465 PolarHBondContact O-N 2.86Å; I462-V466 HydrophobicContact CG2-CG2 4.18Å; I462-V466 WeakPolarHBondContact O-CB 3.18Å; I462-V466 VanDerWaalsContact O-CG2 3.29Å; I462-V466 WeakPolarHBondContact O-CG2 3.36Å; I462-V466 PolarHBondContact O-N 2.82Å; I462-Y491 HydrophobicContact CG2-CD2 3.87Å; I462-Y491 HydrophobicContact CG2-CE2 3.62Å; I462-S496 VanDerWaalsContact CD1-CB 3.43Å; I462-S496 VanDerWaalsContact CD1-OG 3.26Å; I462-S496 WeakPolarHBondContact CD1-OG 3.21Å
463	K	86.6	Confident	85.5	Confident	83 Å²	83	58.5 Å²	58.5	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-56.7	-43.8	177.9	-77.8	175.2	-176.6	168.3	0	111.4	E459 S467 Y491	E459-K463 HydrophobicContact CG-CD 4.22Å; E459-K463 WeakPolarHBondContact O-CB 3.14Å; E459-K463 VanDerWaalsContact O-CG 3.29Å; E459-K463 WeakPolarHBondContact O-CG 3.36Å; E459-K463 PolarHBondContact O-N 3.16Å; E459-K463 VanDerWaalsContact OE1-CE 3.23Å; E459-K463 WeakPolarHBondContact OE1-CE 3.46Å; E459-K463 IonicContact OE1-NZ 2.69Å; E459-K463 PolarHBondContact OE1-NZ 3.02Å; K463-S467 VanDerWaalsContact O-CB 3.31Å; K463-S467 WeakPolarHBondContact O-CB 3.09Å; K463-S467 PolarHBondContact O-N 2.86Å; K463-Y491 WeakPolarHBondContact CG-OH 3.35Å
464	Y	90.7	Very high	84.9	Confident	70 Å²	70	52.7 Å²	52.7	28%	0.275	27%	0.274	S	S	.	.	H	α-helix	trans	-67.1	-44.5	178.5	-166	-114.5	0	0	0	112.1	W397 F400 D460 V461 I462 V466 S467 L468	W397-Y464 HydrophobicContact CE3-CD1 4.15Å; W397-Y464 HydrophobicContact CZ3-CD1 4.42Å; F400-Y464 HydrophobicContact CB-CD1 3.79Å; F400-Y464 HydrophobicContact CB-CE1 3.36Å; F400-Y464 AromaticContact CD1-CD1 3.47Å; F400-Y464 HydrophobicContact CD1-CD1 3.47Å; F400-Y464 VanDerWaalsContact CD1-CD1 3.47Å; F400-Y464 HydrophobicContact CD1-CE1 4Å; F400-Y464 HydrophobicContact CD1-CG 4.3Å; F400-Y464 AromaticContact CD2-CD1 3.73Å; F400-Y464 HydrophobicContact CD2-CD1 3.73Å; F400-Y464 AromaticContact CD2-CE1 3.93Å; F400-Y464 HydrophobicContact CD2-CE1 3.93Å; F400-Y464 HydrophobicContact CD2-CG 4.09Å; F400-Y464 AromaticContact CE1-CD1 3.92Å; F400-Y464 HydrophobicContact CE1-CD1 3.92Å; F400-Y464 HydrophobicContact CE1-CG 4.35Å; F400-Y464 HydrophobicContact CE2-CD1 4.15Å; F400-Y464 HydrophobicContact CE2-CG 4.14Å; F400-Y464 AromaticContact CG-CD1 3.37Å; F400-Y464 HydrophobicContact CG-CD1 3.37Å; F400-Y464 AromaticContact CG-CE1 3.5Å; F400-Y464 HydrophobicContact CG-CE1 3.5Å; F400-Y464 VanDerWaalsContact CG-CE1 3.5Å; F400-Y464 HydrophobicContact CG-CG 4.17Å; F400-Y464 HydrophobicContact CZ-CD1 4.24Å; F400-Y464 HydrophobicContact CZ-CG 4.28Å; D460-Y464 VanDerWaalsContact O-CB 3.3Å; D460-Y464 WeakPolarHBondContact O-CB 3.42Å; D460-Y464 PolarHBondContact O-N 3.19Å; V461-Y464 PolarHBondContact O-N 3.24Å; I462-Y464 VanDerWaalsContact C-N 3.27Å; I462-Y464 PolarHBondContact O-N 3.08Å; Y464-V466 PolarHBondContact O-N 2.96Å; Y464-S467 PolarHBondContact O-N 2.76Å; Y464-L468 HydrophobicContact CD1-CD1 3.94Å; Y464-L468 HydrophobicContact CD1-CG 4.39Å; Y464-L468 HydrophobicContact CE1-CD1 3.51Å; Y464-L468 HydrophobicContact CE1-CG 4.12Å; Y464-L468 WeakPolarHBondContact O-CG 2.89Å; Y464-L468 PolarHBondContact O-N 3.06Å
465	A	90.4	Very high	83.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-45.1	177.5	0	0	0	0	0	112.3	W397 V461 I462 L468 L469 I499 V500 L503	W397-A465 HydrophobicContact CH2-CB 4.32Å; W397-A465 HydrophobicContact CZ3-CB 4.01Å; V461-A465 VanDerWaalsContact O-CB 3.29Å; V461-A465 WeakPolarHBondContact O-CB 3.42Å; V461-A465 PolarHBondContact O-N 2.98Å; I462-A465 PolarHBondContact O-N 2.86Å; A465-L468 PolarHBondContact O-N 3.47Å; A465-L469 WeakPolarHBondContact O-CB 3.07Å; A465-L469 WeakPolarHBondContact O-CG 3.45Å; A465-L469 PolarHBondContact O-N 3.31Å; A465-I499 HydrophobicContact CB-CG2 4.11Å; A465-V500 HydrophobicContact CB-CG2 4.11Å; A465-L503 HydrophobicContact CB-CD2 3.68Å
466	V	87.2	Confident	82.4	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-43	175.9	174.9	0	0	0	0	110.6	I462 Y464 L468 L469 Y470 L487 Y491 I499	I462-V466 HydrophobicContact CG2-CG2 4.18Å; I462-V466 WeakPolarHBondContact O-CB 3.18Å; I462-V466 VanDerWaalsContact O-CG2 3.29Å; I462-V466 WeakPolarHBondContact O-CG2 3.36Å; I462-V466 PolarHBondContact O-N 2.82Å; Y464-V466 PolarHBondContact O-N 2.96Å; V466-L468 PolarHBondContact O-N 2.89Å; V466-L469 PolarHBondContact O-N 3.43Å; V466-Y470 WeakPolarHBondContact O-CB 3.45Å; V466-Y470 PolarHBondContact O-N 3.28Å; V466-L487 HydrophobicContact CG1-CD1 4.06Å; V466-L487 HydrophobicContact CG1-CD2 4.16Å; V466-L487 HydrophobicContact CG1-CG 4.05Å; V466-Y491 HydrophobicContact CG1-CD1 4.43Å; V466-Y491 HydrophobicContact CG2-CD2 4.33Å; V466-Y491 HydrophobicContact CG2-CG 4.25Å; V466-I499 HydrophobicContact CG2-CD1 4Å; V466-I499 HydrophobicContact CG2-CG2 4.03Å
467	S	88.2	Confident	80.7	Confident	43 Å²	43	51.9 Å²	51.9	30%	0.301	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-45.4	175.5	176.6	0	0	0	0	112.2	K463 Y464 Y470 E471	K463-S467 VanDerWaalsContact O-CB 3.31Å; K463-S467 WeakPolarHBondContact O-CB 3.09Å; K463-S467 PolarHBondContact O-N 2.86Å; Y464-S467 PolarHBondContact O-N 2.76Å; S467-Y470 WeakPolarHBondContact O-CB 3.09Å; S467-Y470 PolarHBondContact O-N 3.07Å; S467-E471 WeakPolarHBondContact O-CG 3.29Å; S467-E471 PolarHBondContact O-N 3.47Å
468	L	89.6	Confident	78.7	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-67.3	-45.1	178	-69.1	-175.8	0	0	0	112.4	Y393 W397 Y464 A465 V466 Y470 E471 I472 L503	Y393-L468 HydrophobicContact CD1-CD2 3.65Å; Y393-L468 HydrophobicContact CE1-CD2 4.42Å; Y393-L468 HydrophobicContact CG-CD2 4.31Å; W397-L468 HydrophobicContact CB-CD1 3.67Å; W397-L468 HydrophobicContact CE3-CD1 4.19Å; Y464-L468 HydrophobicContact CD1-CD1 3.94Å; Y464-L468 HydrophobicContact CD1-CG 4.39Å; Y464-L468 HydrophobicContact CE1-CD1 3.51Å; Y464-L468 HydrophobicContact CE1-CG 4.12Å; Y464-L468 WeakPolarHBondContact O-CG 2.89Å; Y464-L468 PolarHBondContact O-N 3.06Å; A465-L468 PolarHBondContact O-N 3.47Å; V466-L468 PolarHBondContact O-N 2.89Å; L468-Y470 VanDerWaalsContact C-N 3.25Å; L468-Y470 PolarHBondContact O-N 3.4Å; L468-E471 PolarHBondContact O-N 3.45Å; L468-I472 WeakPolarHBondContact O-CB 3.22Å; L468-I472 WeakPolarHBondContact O-CD1 3.31Å; L468-I472 WeakPolarHBondContact O-CG1 3.38Å; L468-I472 PolarHBondContact O-N 2.52Å; L468-L503 HydrophobicContact CB-CD2 4.22Å; L468-L503 HydrophobicContact CD1-CD2 4.32Å
469	L	87.3	Confident	76.3	Confident	49 Å²	49	65.9 Å²	65.9	26%	0.257	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-41	175.9	-77.5	169.5	0	0	0	111.3	A465 V466 I472 S473 I499 L503 M506	A465-L469 WeakPolarHBondContact O-CB 3.07Å; A465-L469 WeakPolarHBondContact O-CG 3.45Å; A465-L469 PolarHBondContact O-N 3.31Å; V466-L469 PolarHBondContact O-N 3.43Å; L469-I472 PolarHBondContact O-N 3.41Å; L469-S473 VanDerWaalsContact O-CB 3.23Å; L469-S473 WeakPolarHBondContact O-CB 3.4Å; L469-S473 PolarHBondContact O-N 3.15Å; L469-S473 PolarHBondContact O-OG 2.94Å; L469-I499 HydrophobicContact CD1-CG2 3.62Å; L469-L503 HydrophobicContact CD1-CB 4.3Å; L469-L503 HydrophobicContact CD2-CB 4.19Å; L469-L503 HydrophobicContact CD2-CD1 3.92Å; L469-L503 HydrophobicContact CG-CB 4.19Å; L469-L503 HydrophobicContact CG-CD1 4.1Å; L469-L503 HydrophobicContact CG-CG 4.5Å; L469-M506 HydrophobicContact CD2-CE 3.68Å
470	Y	83.9	Confident	74.1	Confident	39 Å²	39	67.8 Å²	67.8	15%	0.153	33%	0.332	C	S	.	.	H	α-helix	trans	-60.3	-51.9	175.7	-177.2	-102.3	0	0	0	111.3	V466 S467 L468 I472 S473 L474 S485 L487 P488	V466-Y470 WeakPolarHBondContact O-CB 3.45Å; V466-Y470 PolarHBondContact O-N 3.28Å; S467-Y470 WeakPolarHBondContact O-CB 3.09Å; S467-Y470 PolarHBondContact O-N 3.07Å; L468-Y470 VanDerWaalsContact C-N 3.25Å; L468-Y470 PolarHBondContact O-N 3.4Å; Y470-I472 VanDerWaalsContact C-N 3.31Å; Y470-I472 PolarHBondContact O-N 2.84Å; Y470-S473 WeakPolarHBondContact CA-OG 3.2Å; Y470-S473 PolarHBondContact O-N 2.69Å; Y470-S473 PolarHBondContact O-OG 2.84Å; Y470-L474 HydrophobicContact CD1-CD1 4.15Å; Y470-L474 HydrophobicContact CD1-CG 4.3Å; Y470-L474 HydrophobicContact CE1-CD1 3.76Å; Y470-L474 HydrophobicContact CE1-CD2 3.98Å; Y470-L474 HydrophobicContact CE1-CG 3.94Å; Y470-L474 HydrophobicContact CE2-CD2 4.35Å; Y470-L474 WeakPolarHBondContact O-CG 3.46Å; Y470-L474 PolarHBondContact O-N 2.89Å; Y470-S485 WeakPolarHBondContact OH-CB 3.3Å; Y470-S485 PolarHBondContact OH-O 2.88Å; Y470-S485 PolarHBondContact OH-OG 3.07Å; Y470-L487 HydrophobicContact CD1-CD1 4.46Å; Y470-L487 HydrophobicContact CG-CD1 4.31Å; Y470-P488 HydrophobicContact CD2-CG 4.37Å
471	E	85.3	Confident	71.5	Confident	64 Å²	64	71.3 Å²	71.3	30%	0.299	35%	0.348	S	S	.	.	H	α-helix	trans	-58.1	-39.9	176.9	-75	-62.3	158.6	0	0	113.4	K389 Y393 S467 L468	K389-E471 PolarHBondContact NZ-O 3.28Å; Y393-E471 HydrophobicContact CD2-CB 4.33Å; Y393-E471 HydrophobicContact CE1-CB 4.05Å; Y393-E471 HydrophobicContact CE1-CG 4.26Å; Y393-E471 HydrophobicContact CE2-CB 3.8Å; Y393-E471 PolarHBondContact OH-OE2 2.77Å; S467-E471 WeakPolarHBondContact O-CG 3.29Å; S467-E471 PolarHBondContact O-N 3.47Å; L468-E471 PolarHBondContact O-N 3.45Å
472	I	84.9	Confident	69	Low	15 Å²	15	80.9 Å²	80.9	8%	0.077	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-40.1	175.1	-68	163	0	0	0	110.7	L390 Y393 L468 L469 Y470 L503 M506	L390-I472 HydrophobicContact CD2-CD1 4.09Å; L390-I472 HydrophobicContact CD2-CG2 3.99Å; L390-I472 HydrophobicContact CG-CG2 4.4Å; Y393-I472 HydrophobicContact CD2-CG1 4Å; Y393-I472 HydrophobicContact CG-CG1 4.31Å; L468-I472 WeakPolarHBondContact O-CB 3.22Å; L468-I472 WeakPolarHBondContact O-CD1 3.31Å; L468-I472 WeakPolarHBondContact O-CG1 3.38Å; L468-I472 PolarHBondContact O-N 2.52Å; L469-I472 PolarHBondContact O-N 3.41Å; Y470-I472 VanDerWaalsContact C-N 3.31Å; Y470-I472 PolarHBondContact O-N 2.84Å; I472-L503 HydrophobicContact CD1-CD1 4.21Å; I472-M506 HydrophobicContact CD1-CE 3.63Å; I472-M506 HydrophobicContact CG2-CE 4.26Å; I472-M506 HydrophobicContact CG2-SD 4.48Å
473	S	79.5	Confident	66.7	Low	70 Å²	70	82.9 Å²	82.9	49%	0.49	40%	0.401	S	S	.	.	H	α-helix	trans	-76.1	-24.6	-176.9	76.7	0	0	0	0	114.4	L469 Y470 Y475	L469-S473 VanDerWaalsContact O-CB 3.23Å; L469-S473 WeakPolarHBondContact O-CB 3.4Å; L469-S473 PolarHBondContact O-N 3.15Å; L469-S473 PolarHBondContact O-OG 2.94Å; Y470-S473 WeakPolarHBondContact CA-OG 3.2Å; Y470-S473 PolarHBondContact O-N 2.69Å; Y470-S473 PolarHBondContact O-OG 2.84Å; S473-Y475 PolarHBondContact O-N 2.89Å
474	L	69.9	Low	64.4	Low	43 Å²	43	84.9 Å²	84.9	23%	0.225	43%	0.425	C	S	.	.			trans	-55.3	113	-179.6	-80.5	173.5	0	0	0	109.5	K389 Y470	K389-L474 PolarHBondContact NZ-O 2.87Å; Y470-L474 HydrophobicContact CD1-CD1 4.15Å; Y470-L474 HydrophobicContact CD1-CG 4.3Å; Y470-L474 HydrophobicContact CE1-CD1 3.76Å; Y470-L474 HydrophobicContact CE1-CD2 3.98Å; Y470-L474 HydrophobicContact CE1-CG 3.94Å; Y470-L474 HydrophobicContact CE2-CD2 4.35Å; Y470-L474 WeakPolarHBondContact O-CG 3.46Å; Y470-L474 PolarHBondContact O-N 2.89Å
475	Y	58	Low	62.3	Low	161 Å²	161	84 Å²	84	63%	0.631	43%	0.429	S	S	*	.			trans	-67.8	149.8	166.1	-78.5	-92.8	0	0	0	108.7	V382 S473 K477	V382-Y475 HydrophobicContact CG1-CE1 3.83Å; S473-Y475 PolarHBondContact O-N 2.89Å; Y475-K477 VanDerWaalsContact C-N 3.33Å; Y475-K477 PolarHBondContact O-N 2.71Å
476	D	51.3	Low	60.6	Low	88 Å²	88	87.9 Å²	87.9	47%	0.471	46%	0.456	S	S	.	.			trans	-57.7	100.2	172	-90.6	-33.5	0	0	0	109.4	R385 Q478	R385-D476 WeakPolarHBondContact CD-OD2 3.45Å; R385-D476 IonicContact CZ-OD2 3.72Å; R385-D476 IonicContact NE-OD2 3.06Å; R385-D476 PolarHBondContact NE-OD2 3.41Å; R385-D476 VanDerWaalsContact NE-OD2 3.07Å; R385-D476 IonicContact NH1-OD2 3.74Å; R385-D476 PolarHBondContact NH1-OD2 2.6Å; R385-D476 IonicContact NH2-OD2 3.43Å; D476-Q478 PolarHBondContact O-N 3.45Å
477	K	46.8	Very low	59	Low	87 Å²	87	89.9 Å²	89.9	38%	0.378	47%	0.466	S	S	.	.			trans	-70.8	34.4	176.6	-78.6	-177.8	169	-179.2	0	112.3	Y475 N479 E480 S483 S485	Y475-K477 VanDerWaalsContact C-N 3.33Å; Y475-K477 PolarHBondContact O-N 2.71Å; K477-N479 PolarHBondContact O-N 2.96Å; K477-E480 PolarHBondContact O-N 2.99Å; K477-S483 WeakPolarHBondContact CE-OG 3.34Å; K477-S483 PolarHBondContact NZ-O 3.4Å; K477-S483 PolarHBondContact NZ-OG 3.42Å; K477-S485 PolarHBondContact NZ-OG 3.16Å
478	Q	42.3	Very low	57.5	Low	175 Å²	175	91 Å²	91	82%	0.818	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.7	174.6	-83.3	-159.1	-19.1	0	0	113.1	D476	D476-Q478 PolarHBondContact O-N 3.45Å
479	N	34.9	Very low	55.8	Low	160 Å²	160	96.7 Å²	96.7	86%	0.856	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	7.5	177.8	-83.6	-6	0	0	0	117.4	K477	K477-N479 PolarHBondContact O-N 2.96Å
480	E	36.6	Very low	54.3	Low	146 Å²	146	99.9 Å²	99.9	68%	0.682	52%	0.52	S	S	*	.			trans	-135.4	102	172.7	-71.6	-171.8	177.9	0	0	112.5	K477 Y482	K477-E480 PolarHBondContact O-N 2.99Å; E480-Y482 PolarHBondContact O-N 2.96Å
481	M	32.9	Very low	53.2	Low	167 Å²	167	99.7 Å²	99.7	82%	0.823	52%	0.519	S	S	*	.	S	Bend	trans	-63.9	5.5	179.6	-173.1	169.4	176.3	0	0	114.9
482	Y	36	Very low	51.9	Low	201 Å²	201	103.7 Å²	103.7	79%	0.788	54%	0.538	S	S	*	.			trans	-144	72.6	-173.3	-64.9	-80.7	0	0	0	112.7	E480	E480-Y482 PolarHBondContact O-N 2.96Å
483	S	38.7	Very low	50.3	Low	58 Å²	58	112.6 Å²	112.6	41%	0.406	57%	0.571	S	S	.	*			trans	-163.1	99	143.9	38	0	0	0	0	109.9	K477 S485	K477-S483 WeakPolarHBondContact CE-OG 3.34Å; K477-S483 PolarHBondContact NZ-O 3.4Å; K477-S483 PolarHBondContact NZ-OG 3.42Å; S483-S485 PolarHBondContact O-N 3.28Å
484	S	38.1	Very low	49.5	Very low	126 Å²	126	112.1 Å²	112.1	88%	0.881	56%	0.562	S	S	*	*			trans	-62	72.8	147.1	56.4	0	0	0	0	107.5	S486	S484-S486 PolarHBondContact O-N 3.11Å; S484-S486 VanDerWaalsContact O-N 3.09Å
485	S	47.5	Very low	49.7	Very low	50 Å²	50	115.1 Å²	115.1	35%	0.35	58%	0.578	S	S	.	*			trans	-76.9	103.8	178.9	37.5	0	0	0	0	106.5	Y470 K477 S483	Y470-S485 WeakPolarHBondContact OH-CB 3.3Å; Y470-S485 PolarHBondContact OH-O 2.88Å; Y470-S485 PolarHBondContact OH-OG 3.07Å; K477-S485 PolarHBondContact NZ-OG 3.16Å; S483-S485 PolarHBondContact O-N 3.28Å
486	S	52.8	Low	50.7	Low	82 Å²	82	109.3 Å²	109.3	57%	0.573	56%	0.561	S	S	*	*			trans	-52.1	153.9	161.5	45.4	0	0	0	0	109.2	S484	S484-S486 PolarHBondContact O-N 3.11Å; S484-S486 VanDerWaalsContact O-N 3.09Å
487	L	54.5	Low	52.1	Low	57 Å²	57	105.8 Å²	105.8	30%	0.298	55%	0.546	S	S	.	.	S	Bend	trans	-43	136.3	165.2	-158.9	77.6	0	0	0	108.1	V466 Y470 N489	V466-L487 HydrophobicContact CG1-CD1 4.06Å; V466-L487 HydrophobicContact CG1-CD2 4.16Å; V466-L487 HydrophobicContact CG1-CG 4.05Å; Y470-L487 HydrophobicContact CD1-CD1 4.46Å; Y470-L487 HydrophobicContact CG-CD1 4.31Å; L487-N489 PolarHBondContact O-N 3.45Å; L487-N489 PolarHBondContact O-OD1 2.95Å
488	P	56.9	Low	53.8	Low	66 Å²	66	104.9 Å²	104.9	43%	0.429	55%	0.547	S	S	.	.			trans	-50.4	113.7	178.8	-26.1	33.2	0	0	0	109.5	Y470 D490 Y491	Y470-P488 HydrophobicContact CD2-CG 4.37Å; P488-D490 PolarHBondContact O-N 3.14Å; P488-Y491 WeakPolarHBondContact O-CD1 3.49Å
489	N	52.9	Low	55.8	Low	126 Å²	126	97.2 Å²	97.2	67%	0.674	51%	0.512	S	S	*	.	S	Bend	trans	-64.1	-29.3	-173.6	-76.3	-14.4	0	0	0	111.4	L487	L487-N489 PolarHBondContact O-N 3.45Å; L487-N489 PolarHBondContact O-OD1 2.95Å
490	D	56.3	Low	58.3	Low	117 Å²	117	89.6 Å²	89.6	63%	0.626	47%	0.471	S	S	*	.			trans	-107.2	80	-179.1	-72.1	-38.4	0	0	0	110.9	P488 W493	P488-D490 PolarHBondContact O-N 3.14Å; D490-W493 VanDerWaalsContact O-CD1 3.3Å; D490-W493 PolarHBondContact O-NE1 3.37Å
491	Y	60.9	Low	60.6	Low	34 Å²	34	84.6 Å²	84.6	13%	0.133	45%	0.448	C	S	.	.			trans	-98.8	-1.6	162.9	57.7	-90.2	0	0	0	112.4	I462 K463 V466 P488 W493 I494	I462-Y491 HydrophobicContact CG2-CD2 3.87Å; I462-Y491 HydrophobicContact CG2-CE2 3.62Å; K463-Y491 WeakPolarHBondContact CG-OH 3.35Å; V466-Y491 HydrophobicContact CG1-CD1 4.43Å; V466-Y491 HydrophobicContact CG2-CD2 4.33Å; V466-Y491 HydrophobicContact CG2-CG 4.25Å; P488-Y491 WeakPolarHBondContact O-CD1 3.49Å; Y491-W493 PolarHBondContact O-N 3.41Å; Y491-I494 PolarHBondContact O-N 3.24Å
492	H	58.7	Low	63.1	Low	148 Å²	148	78.7 Å²	78.7	69%	0.685	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.4	-176.5	-66.4	-61.1	0	0	0	114.9
493	W	52	Low	65.7	Low	202 Å²	202	69.1 Å²	69.1	77%	0.765	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.2	178	55.7	-89.5	0	0	0	113.9	D490 Y491	D490-W493 VanDerWaalsContact O-CD1 3.3Å; D490-W493 PolarHBondContact O-NE1 3.37Å; Y491-W493 PolarHBondContact O-N 3.41Å
494	I	61.3	Low	68.2	Low	60 Å²	60	66.5 Å²	66.5	31%	0.308	36%	0.362	S	S	.	.	S	Bend	trans	-91.9	135.7	177.6	-54.4	174.1	0	0	0	108.8	Y491 S496 I499	Y491-I494 PolarHBondContact O-N 3.24Å; I494-S496 PolarHBondContact O-N 2.72Å; I494-I499 HydrophobicContact CB-CD1 3.86Å; I494-I499 HydrophobicContact CB-CG1 4.32Å; I494-I499 HydrophobicContact CD1-CD1 4.46Å; I494-I499 HydrophobicContact CG2-CD1 3.67Å; I494-I499 HydrophobicContact CG2-CG1 3.55Å
495	D	74.7	Confident	70.7	Confident	107 Å²	107	60.6 Å²	60.6	57%	0.572	32%	0.32	S	S	*	.			trans	-57.1	113.9	171.7	-171.7	-31.2	0	0	0	109.8	G497 V498 I499	D495-G497 PolarHBondContact O-N 2.94Å; D495-G497 WeakPolarHBondContact OD1-CA 3.37Å; D495-G497 PolarHBondContact OD1-N 3.21Å; D495-V498 HydrophobicContact CB-CB 4.17Å; D495-V498 HydrophobicContact CB-CG2 3.76Å; D495-V498 WeakPolarHBondContact O-CB 3.21Å; D495-V498 PolarHBondContact O-N 3.2Å; D495-I499 PolarHBondContact O-N 3.03Å
496	S	79.5	Confident	72.8	Confident	39 Å²	39	59.6 Å²	59.6	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-59.8	-31.9	-178.6	-63.8	0	0	0	0	112.5	I462 I494 V500	I462-S496 VanDerWaalsContact CD1-CB 3.43Å; I462-S496 VanDerWaalsContact CD1-OG 3.26Å; I462-S496 WeakPolarHBondContact CD1-OG 3.21Å; I494-S496 PolarHBondContact O-N 2.72Å; S496-V500 WeakPolarHBondContact O-CG2 3.48Å; S496-V500 PolarHBondContact O-N 3.19Å
497	G	80.6	Confident	74.6	Confident	14 Å²	14	55.7 Å²	55.7	14%	0.144	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-44.7	173.5	0	0	0	0	0	111.6	L449 D495 I499 V500 E501	L449-G497 WeakPolarHBondContact CD2-O 3.44Å; D495-G497 PolarHBondContact O-N 2.94Å; D495-G497 WeakPolarHBondContact OD1-CA 3.37Å; D495-G497 PolarHBondContact OD1-N 3.21Å; G497-I499 PolarHBondContact O-N 2.98Å; G497-V500 PolarHBondContact O-N 3.07Å; G497-E501 WeakPolarHBondContact O-CB 3.39Å; G497-E501 PolarHBondContact O-N 2.74Å
498	V	81.2	Confident	76.4	Confident	67 Å²	67	53 Å²	53	41%	0.406	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-45.3	179	176.9	0	0	0	0	111	D495 V500 E501 Q502	D495-V498 HydrophobicContact CB-CB 4.17Å; D495-V498 HydrophobicContact CB-CG2 3.76Å; D495-V498 WeakPolarHBondContact O-CB 3.21Å; D495-V498 PolarHBondContact O-N 3.2Å; V498-V500 VanDerWaalsContact C-N 3.35Å; V498-V500 PolarHBondContact O-N 3.26Å; V498-E501 PolarHBondContact O-N 3.39Å; V498-Q502 HydrophobicContact CG1-CG 3.94Å; V498-Q502 VanDerWaalsContact O-CB 3.24Å; V498-Q502 WeakPolarHBondContact O-CB 3.32Å; V498-Q502 WeakPolarHBondContact O-CG 3.24Å; V498-Q502 PolarHBondContact O-N 2.97Å
499	I	83.9	Confident	78.1	Confident	15 Å²	15	50.3 Å²	50.3	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-55.9	-51.3	179.1	-66.5	175.6	0	0	0	111.1	A465 V466 L469 I494 D495 G497 Q502 L503	A465-I499 HydrophobicContact CB-CG2 4.11Å; V466-I499 HydrophobicContact CG2-CD1 4Å; V466-I499 HydrophobicContact CG2-CG2 4.03Å; L469-I499 HydrophobicContact CD1-CG2 3.62Å; I494-I499 HydrophobicContact CB-CD1 3.86Å; I494-I499 HydrophobicContact CB-CG1 4.32Å; I494-I499 HydrophobicContact CD1-CD1 4.46Å; I494-I499 HydrophobicContact CG2-CD1 3.67Å; I494-I499 HydrophobicContact CG2-CG1 3.55Å; D495-I499 PolarHBondContact O-N 3.03Å; G497-I499 PolarHBondContact O-N 2.98Å; I499-Q502 PolarHBondContact O-N 3.13Å; I499-L503 WeakPolarHBondContact O-CB 3.28Å; I499-L503 PolarHBondContact O-N 3.45Å
500	V	88	Confident	79.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-43.8	-175.4	168.6	0	0	0	0	111.5	W397 I448 L452 V461 A465 S496 G497 V498 Q502 N504	W397-V500 HydrophobicContact CH2-CG1 3.9Å; W397-V500 HydrophobicContact CZ2-CG1 4.01Å; I448-V500 HydrophobicContact CG2-CG1 3.3Å; L452-V500 HydrophobicContact CD1-CB 4.45Å; L452-V500 HydrophobicContact CD1-CG2 4.38Å; L452-V500 HydrophobicContact CD2-CG2 4.28Å; V461-V500 HydrophobicContact CG1-CG1 4.42Å; V461-V500 HydrophobicContact CG1-CG2 3.87Å; A465-V500 HydrophobicContact CB-CG2 4.11Å; S496-V500 WeakPolarHBondContact O-CG2 3.48Å; S496-V500 PolarHBondContact O-N 3.19Å; G497-V500 PolarHBondContact O-N 3.07Å; V498-V500 VanDerWaalsContact C-N 3.35Å; V498-V500 PolarHBondContact O-N 3.26Å; V500-Q502 VanDerWaalsContact C-N 3.35Å; V500-Q502 PolarHBondContact O-N 3.45Å; V500-N504 WeakPolarHBondContact O-CB 3.33Å; V500-N504 PolarHBondContact O-N 3.35Å
501	E	85.1	Confident	81.4	Confident	41 Å²	41	39.6 Å²	39.6	19%	0.192	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-42.4	178.1	-168.2	175.2	-125.1	0	0	111.4	P112 L449 G497 V498 N504 F505	P112-E501 WeakPolarHBondContact CA-OE1 3.39Å; P112-E501 HydrophobicContact CB-CG 3.79Å; P112-E501 VanDerWaalsContact CB-OE1 3.27Å; P112-E501 WeakPolarHBondContact CB-OE1 3.12Å; P112-E501 WeakPolarHBondContact CB-OE2 3.07Å; L449-E501 HydrophobicContact CD2-CB 4.28Å; G497-E501 WeakPolarHBondContact O-CB 3.39Å; G497-E501 PolarHBondContact O-N 2.74Å; V498-E501 PolarHBondContact O-N 3.39Å; E501-N504 PolarHBondContact O-N 2.97Å; E501-F505 WeakPolarHBondContact O-CB 3.4Å; E501-F505 PolarHBondContact O-N 3.17Å
502	Q	85.1	Confident	82.8	Confident	42 Å²	42	38.9 Å²	38.9	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-69.7	-39.9	179.9	-68.3	-60.6	-13	0	0	112.9	F169 V498 I499 V500 N504 F505 M506	F169-Q502 VanDerWaalsContact CZ-CD 3.44Å; F169-Q502 HydrophobicContact CZ-CG 4.21Å; V498-Q502 HydrophobicContact CG1-CG 3.94Å; V498-Q502 VanDerWaalsContact O-CB 3.24Å; V498-Q502 WeakPolarHBondContact O-CB 3.32Å; V498-Q502 WeakPolarHBondContact O-CG 3.24Å; V498-Q502 PolarHBondContact O-N 2.97Å; I499-Q502 PolarHBondContact O-N 3.13Å; V500-Q502 VanDerWaalsContact C-N 3.35Å; V500-Q502 PolarHBondContact O-N 3.45Å; Q502-N504 VanDerWaalsContact C-N 3.35Å; Q502-F505 PolarHBondContact O-N 3.28Å; Q502-M506 WeakPolarHBondContact O-CB 3.44Å; Q502-M506 PolarHBondContact O-N 3.47Å
503	L	90.6	Very high	84.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-47.7	172.9	175.1	58.6	0	0	0	110.8	W397 A465 L468 L469 I472 I499 F505 M506 C507	W397-L503 HydrophobicContact CD2-CD2 3.63Å; W397-L503 HydrophobicContact CD2-CG 4.04Å; W397-L503 HydrophobicContact CE3-CD2 3.57Å; W397-L503 HydrophobicContact CE3-CG 4.47Å; W397-L503 HydrophobicContact CG-CD2 4.11Å; W397-L503 HydrophobicContact CG-CG 4.19Å; W397-L503 HydrophobicContact CH2-CD2 4.35Å; W397-L503 HydrophobicContact CZ2-CD2 4.39Å; W397-L503 HydrophobicContact CZ3-CD2 3.96Å; A465-L503 HydrophobicContact CB-CD2 3.68Å; L468-L503 HydrophobicContact CB-CD2 4.22Å; L468-L503 HydrophobicContact CD1-CD2 4.32Å; L469-L503 HydrophobicContact CD1-CB 4.3Å; L469-L503 HydrophobicContact CD2-CB 4.19Å; L469-L503 HydrophobicContact CD2-CD1 3.92Å; L469-L503 HydrophobicContact CG-CB 4.19Å; L469-L503 HydrophobicContact CG-CD1 4.1Å; L469-L503 HydrophobicContact CG-CG 4.5Å; I472-L503 HydrophobicContact CD1-CD1 4.21Å; I499-L503 WeakPolarHBondContact O-CB 3.28Å; I499-L503 PolarHBondContact O-N 3.45Å; L503-F505 PolarHBondContact O-N 2.66Å; L503-M506 HydrophobicContact CD1-CE 3.64Å; L503-M506 PolarHBondContact O-N 2.69Å; L503-C507 PolarHBondContact O-N 3.25Å
504	N	90.8	Very high	86	Confident	3 Å²	3	23.4 Å²	23.4	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-46.2	179.8	-170.5	67.8	0	0	0	111.8	W397 I448 V500 E501 Q502 C507 C508	W397-N504 HydrophobicContact CZ2-CB 4.41Å; W397-N504 PolarHBondContact NE1-OD1 2.97Å; I448-N504 HydrophobicContact CD1-CB 4.24Å; I448-N504 VanDerWaalsContact CD1-CG 3.48Å; I448-N504 VanDerWaalsContact CD1-OD1 3.31Å; I448-N504 WeakPolarHBondContact CD1-OD1 3.3Å; V500-N504 WeakPolarHBondContact O-CB 3.33Å; V500-N504 PolarHBondContact O-N 3.35Å; E501-N504 PolarHBondContact O-N 2.97Å; Q502-N504 VanDerWaalsContact C-N 3.35Å; N504-C507 PolarHBondContact O-N 3.17Å; N504-C508 PolarHBondContact O-N 2.66Å; N504-C508 PolarHBondContact O-SG 2.66Å; N504-C508 VanDerWaalsContact O-SG 3.41Å
505	F	90.9	Very high	87.1	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-40.5	179	-179.1	-135	0	0	0	112.2	I111 L161 F164 H165 E501 Q502 L503 C507 C508 H509	I111-F505 HydrophobicContact CG2-CE2 3.91Å; I111-F505 HydrophobicContact CG2-CZ 4.46Å; L161-F505 HydrophobicContact CD2-CE2 3.92Å; F164-F505 HydrophobicContact CB-CZ 4.07Å; H165-F505 HydrophobicContact CB-CE1 3.99Å; H165-F505 HydrophobicContact CB-CZ 3.84Å; E501-F505 WeakPolarHBondContact O-CB 3.4Å; E501-F505 PolarHBondContact O-N 3.17Å; Q502-F505 PolarHBondContact O-N 3.28Å; L503-F505 PolarHBondContact O-N 2.66Å; F505-C507 VanDerWaalsContact C-N 3.31Å; F505-C507 PolarHBondContact O-N 3.33Å; F505-C508 PolarHBondContact O-N 2.78Å; F505-H509 VanDerWaalsContact O-CB 3.31Å; F505-H509 WeakPolarHBondContact O-CB 3.38Å; F505-H509 PolarHBondContact O-N 2.81Å
506	M	91.3	Very high	87.6	Confident	29 Å²	29	18.5 Å²	18.5	14%	0.143	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-43	173.6	-179.4	-179.7	64.2	0	0	111.4	L390 L469 I472 Q502 L503 H509 W510	L390-M506 HydrophobicContact CD2-CE 3.7Å; L390-M506 HydrophobicContact CD2-CG 3.84Å; L390-M506 HydrophobicContact CD2-SD 3.78Å; L469-M506 HydrophobicContact CD2-CE 3.68Å; I472-M506 HydrophobicContact CD1-CE 3.63Å; I472-M506 HydrophobicContact CG2-CE 4.26Å; I472-M506 HydrophobicContact CG2-SD 4.48Å; Q502-M506 WeakPolarHBondContact O-CB 3.44Å; Q502-M506 PolarHBondContact O-N 3.47Å; L503-M506 HydrophobicContact CD1-CE 3.64Å; L503-M506 PolarHBondContact O-N 2.69Å; M506-H509 PolarHBondContact O-N 2.94Å; M506-W510 WeakPolarHBondContact O-CB 3.43Å; M506-W510 PolarHBondContact O-N 3.45Å
507	C	92.4	Very high	87.7	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.8	-41.2	177.8	-75.1	0	0	0	0	113.2	C394 W398 L503 N504 F505 W510 Y511	C394-C507 WeakPolarHBondContact CA-SG 3.33Å; C394-C507 HydrophobicContact CB-CB 3.6Å; C394-C507 WeakPolarHBondContact CB-SG 3.28Å; C394-C507 WeakPolarHBondContact SG-CA 3.28Å; C394-C507 WeakPolarHBondContact SG-CB 3.32Å; C394-C507 CovalentContact SG-SG 2.05Å; C394-C507 PolarHBondContact SG-SG 2.87Å; W398-C507 HydrophobicContact CZ2-CB 3.94Å; L503-C507 PolarHBondContact O-N 3.25Å; N504-C507 PolarHBondContact O-N 3.17Å; F505-C507 VanDerWaalsContact C-N 3.31Å; F505-C507 PolarHBondContact O-N 3.33Å; C507-W510 PolarHBondContact O-N 3.46Å; C507-Y511 PolarHBondContact O-N 3.36Å
508	C	92	Very high	87.6	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-37.7	174.7	-62.6	0	0	0	0	112.2	M110 C413 N504 F505 Y511 H512	M110-C508 HydrophobicContact CB-CB 4.13Å; M110-C508 HydrophobicContact CG-CB 4.18Å; M110-C508 HydrophobicContact SD-CB 3.98Å; C413-C508 HydrophobicContact CB-CB 3.72Å; C413-C508 WeakPolarHBondContact CB-SG 3.21Å; C413-C508 WeakPolarHBondContact SG-CA 3.44Å; C413-C508 WeakPolarHBondContact SG-CB 3.46Å; C413-C508 CovalentContact SG-SG 2.04Å; C413-C508 PolarHBondContact SG-SG 3.03Å; N504-C508 PolarHBondContact O-N 2.66Å; N504-C508 PolarHBondContact O-SG 2.66Å; N504-C508 VanDerWaalsContact O-SG 3.41Å; F505-C508 PolarHBondContact O-N 2.78Å; C508-Y511 PolarHBondContact O-N 3.26Å; C508-H512 PolarHBondContact O-CD2 3.43Å; C508-H512 PolarHBondContact O-N 3.48Å; C508-H512 VanDerWaalsContact O-N 3.14Å
509	H	91.7	Very high	86.7	Confident	11 Å²	11	18.9 Å²	18.9	5%	0.051	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-50.8	172.7	177.5	-80.9	0	0	0	110.9	H165 F505 M506 Y511 H512 V513 D514	H165-H509 VanDerWaalsContact CB-CD2 3.46Å; H165-H509 WeakPolarHBondContact CB-CD2 3.47Å; H165-H509 AromaticContact CD2-NE2 3.89Å; H165-H509 AromaticContact CG-CD2 3.66Å; H165-H509 AromaticContact CG-NE2 3.88Å; F505-H509 VanDerWaalsContact O-CB 3.31Å; F505-H509 WeakPolarHBondContact O-CB 3.38Å; F505-H509 PolarHBondContact O-N 2.81Å; M506-H509 PolarHBondContact O-N 2.94Å; H509-Y511 VanDerWaalsContact C-N 3.31Å; H509-Y511 PolarHBondContact O-N 2.85Å; H509-H512 PolarHBondContact O-N 2.69Å; H509-V513 WeakPolarHBondContact O-CA 3.02Å; H509-V513 VanDerWaalsContact O-CB 3.22Å; H509-V513 WeakPolarHBondContact O-CB 3.37Å; H509-V513 WeakPolarHBondContact O-CG2 3.36Å; H509-V513 PolarHBondContact O-N 2.95Å; H509-D514 IonicContact CE1-OD1 2.74Å; H509-D514 PolarHBondContact CE1-OD1 3.19Å; H509-D514 IonicContact CE1-OD2 2.71Å; H509-D514 IonicContact ND1-OD1 2.87Å; H509-D514 IonicContact ND1-OD2 3.45Å; H509-D514 PolarHBondContact ND1-OD2 3.5Å
510	W	90.4	Very high	85.7	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.015	10%	0.101	C	C	.	.	I	π-helix	trans	-54.7	-47.1	177.8	165.7	76.8	0	0	0	112.4	R387 L390 A391 C394 W398 M506 C507 H512 D514 R515 F523	R387-W510 PolarHBondContact O-NE1 2.88Å; L390-W510 HydrophobicContact CB-CB 4.24Å; L390-W510 HydrophobicContact CB-CD2 3.97Å; L390-W510 HydrophobicContact CB-CG 3.62Å; L390-W510 HydrophobicContact CD1-CB 4.14Å; L390-W510 HydrophobicContact CD1-CG 4.15Å; L390-W510 HydrophobicContact CG-CG 4.42Å; A391-W510 HydrophobicContact CB-CH2 4.05Å; A391-W510 HydrophobicContact CB-CZ2 3.42Å; A391-W510 VanDerWaalsContact CB-CZ2 3.42Å; C394-W510 HydrophobicContact CB-CE3 3.95Å; C394-W510 HydrophobicContact CB-CZ3 4.07Å; W398-W510 HydrophobicContact CH2-CE3 4.17Å; W398-W510 AromaticContact CH2-CZ3 3.78Å; W398-W510 HydrophobicContact CH2-CZ3 3.78Å; W398-W510 HydrophobicContact CZ3-CZ3 4.29Å; M506-W510 WeakPolarHBondContact O-CB 3.43Å; M506-W510 PolarHBondContact O-N 3.45Å; C507-W510 PolarHBondContact O-N 3.46Å; W510-H512 PolarHBondContact O-N 3.01Å; W510-D514 WeakPolarHBondContact CA-OD2 3.14Å; W510-D514 HydrophobicContact CG-CB 4.46Å; W510-D514 PolarHBondContact O-N 3.45Å; W510-D514 VanDerWaalsContact O-N 3.12Å; W510-R515 WeakPolarHBondContact O-CB 3.21Å; W510-R515 PolarHBondContact O-N 3.39Å; W510-F523 HydrophobicContact CH2-CD1 4.25Å; W510-F523 AromaticContact CH2-CE1 3.65Å; W510-F523 HydrophobicContact CH2-CE1 3.65Å; W510-F523 HydrophobicContact CH2-CZ 4.38Å; W510-F523 HydrophobicContact CZ3-CE1 4.39Å
511	Y	89.2	Confident	84.4	Confident	13 Å²	13	23.1 Å²	23.1	5%	0.051	11%	0.11	C	C	.	.	I	π-helix	trans	-62.7	-42.8	-178.1	-178.4	-97.3	0	0	0	113.6	W398 L415 E417 C507 C508 H509 R515	W398-Y511 AromaticContact CH2-CD2 3.81Å; W398-Y511 HydrophobicContact CH2-CD2 3.81Å; W398-Y511 HydrophobicContact CH2-CG 4.04Å; W398-Y511 HydrophobicContact CZ3-CD2 4.32Å; L415-Y511 HydrophobicContact CB-CE1 4.21Å; L415-Y511 HydrophobicContact CD1-CE2 4.48Å; L415-Y511 HydrophobicContact CD2-CD1 3.43Å; L415-Y511 VanDerWaalsContact CD2-CD1 3.43Å; L415-Y511 HydrophobicContact CD2-CD2 3.77Å; L415-Y511 HydrophobicContact CD2-CE1 3.27Å; L415-Y511 HydrophobicContact CD2-CE2 3.6Å; L415-Y511 HydrophobicContact CD2-CG 3.67Å; L415-Y511 HydrophobicContact CG-CE1 4.33Å; L415-Y511 HydrophobicContact CG-CE2 4.44Å; E417-Y511 PolarHBondContact OE1-OH 3.16Å; C507-Y511 PolarHBondContact O-N 3.36Å; C508-Y511 PolarHBondContact O-N 3.26Å; H509-Y511 VanDerWaalsContact C-N 3.31Å; H509-Y511 PolarHBondContact O-N 2.85Å; Y511-R515 VanDerWaalsContact CZ-CZ 3.45Å; Y511-R515 PolarHBondContact O-NE 3.31Å; Y511-R515 VanDerWaalsContact O-NE 3.12Å; Y511-R515 PolarHBondContact OH-NH2 3.21Å
512	H	89.8	Confident	83	Confident	19 Å²	19	24.5 Å²	24.5	9%	0.088	12%	0.121	C	C	.	.	I	π-helix	trans	-92.4	-14.4	-174.7	-78.6	-67.1	0	0	0	114.1	M110 I157 S158 L161 C413 C508 H509 W510 L516	M110-H512 WeakPolarHBondContact CE-NE2 3.36Å; M110-H512 VanDerWaalsContact SD-CD2 3.57Å; I157-H512 HydrophobicContact CG2-CB 4.4Å; S158-H512 WeakPolarHBondContact CB-O 3.4Å; S158-H512 PolarHBondContact OG-O 3.29Å; L161-H512 HydrophobicContact CD1-CB 3.45Å; L161-H512 VanDerWaalsContact CD1-CB 3.45Å; C413-H512 PolarHBondContact O-NE2 3.42Å; C508-H512 PolarHBondContact O-CD2 3.43Å; C508-H512 PolarHBondContact O-N 3.48Å; C508-H512 VanDerWaalsContact O-N 3.14Å; H509-H512 PolarHBondContact O-N 2.69Å; W510-H512 PolarHBondContact O-N 3.01Å; H512-L516 WeakPolarHBondContact O-CD1 3.08Å
513	V	89.8	Confident	81.6	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.012	14%	0.135	C	C	.	.	I	π-helix	trans	-121.4	-69.6	-176.2	-173.8	0	0	0	0	110	S158 L161 K162 L327 H509 R515 L516 V517	S158-V513 WeakPolarHBondContact O-CG2 3.41Å; L161-V513 HydrophobicContact CB-CG2 4.28Å; K162-V513 HydrophobicContact CD-CG1 4.45Å; L327-V513 HydrophobicContact CB-CG1 4.24Å; L327-V513 HydrophobicContact CD1-CG1 4.5Å; L327-V513 HydrophobicContact CD2-CG1 4.49Å; H509-V513 WeakPolarHBondContact O-CA 3.02Å; H509-V513 VanDerWaalsContact O-CB 3.22Å; H509-V513 WeakPolarHBondContact O-CB 3.37Å; H509-V513 WeakPolarHBondContact O-CG2 3.36Å; H509-V513 PolarHBondContact O-N 2.95Å; V513-R515 PolarHBondContact O-N 3.49Å; V513-L516 PolarHBondContact O-N 2.93Å; V513-V517 PolarHBondContact O-N 2.97Å
514	D	87.2	Confident	79.9	Confident	23 Å²	23	32.7 Å²	32.7	12%	0.123	16%	0.161	C	C	.	.	I	π-helix	trans	-64.5	-40.8	-168.7	-55.5	-29.5	0	0	0	112.3	R387 H509 W510 V517 N518	R387-D514 HydrophobicContact CG-CB 4.43Å; H509-D514 IonicContact CE1-OD1 2.74Å; H509-D514 PolarHBondContact CE1-OD1 3.19Å; H509-D514 IonicContact CE1-OD2 2.71Å; H509-D514 IonicContact ND1-OD1 2.87Å; H509-D514 IonicContact ND1-OD2 3.45Å; H509-D514 PolarHBondContact ND1-OD2 3.5Å; W510-D514 WeakPolarHBondContact CA-OD2 3.14Å; W510-D514 HydrophobicContact CG-CB 4.46Å; W510-D514 PolarHBondContact O-N 3.45Å; W510-D514 VanDerWaalsContact O-N 3.12Å; D514-V517 PolarHBondContact O-N 3.17Å; D514-N518 PolarHBondContact O-N 2.77Å; D514-N518 PolarHBondContact O-ND2 3.11Å; D514-N518 VanDerWaalsContact O-ND2 3.1Å
515	R	85.4	Confident	78.2	Confident	37 Å²	37	38.1 Å²	38.1	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-37.9	177.1	-172.8	-177.8	66.1	129.1	10.1	112.4	E417 W510 Y511 V513 N518 M519	E417-R515 IonicContact OE1-CZ 3.78Å; E417-R515 VanDerWaalsContact OE1-CZ 3.24Å; E417-R515 IonicContact OE1-NH1 3.97Å; E417-R515 PolarHBondContact OE1-NH1 3.2Å; E417-R515 IonicContact OE1-NH2 2.59Å; E417-R515 PolarHBondContact OE1-NH2 3.15Å; W510-R515 WeakPolarHBondContact O-CB 3.21Å; W510-R515 PolarHBondContact O-N 3.39Å; Y511-R515 VanDerWaalsContact CZ-CZ 3.45Å; Y511-R515 PolarHBondContact O-NE 3.31Å; Y511-R515 VanDerWaalsContact O-NE 3.12Å; Y511-R515 PolarHBondContact OH-NH2 3.21Å; V513-R515 PolarHBondContact O-N 3.49Å; R515-N518 CarbonylContact O-C 3.24Å; R515-N518 VanDerWaalsContact O-C 3.27Å; R515-N518 PolarHBondContact O-N 2.93Å; R515-M519 WeakPolarHBondContact O-CA 3.26Å; R515-M519 PolarHBondContact O-N 3.01Å; R515-M519 VanDerWaalsContact O-N 3.16Å
516	L	84.3	Confident	76.7	Confident	27 Å²	27	45.6 Å²	45.6	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-69.6	-33.8	-178.5	-67.3	-172.4	0	0	0	112.6	S158 H324 H512 V513 M519	S158-L516 WeakPolarHBondContact OG-CD1 3.28Å; H324-L516 HydrophobicContact CB-CB 4.45Å; H512-L516 WeakPolarHBondContact O-CD1 3.08Å; V513-L516 PolarHBondContact O-N 2.93Å; L516-M519 HydrophobicContact CD2-CE 3.68Å
517	V	82.7	Confident	75.3	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-72.1	-33	174.7	-178.1	0	0	0	0	110.9	H324 L327 A328 D332 P334 V513 D514	H324-V517 HydrophobicContact CB-CG2 4.29Å; L327-V517 HydrophobicContact CB-CG2 3.73Å; A328-V517 HydrophobicContact CB-CG1 3.82Å; D332-V517 HydrophobicContact CB-CG1 4.09Å; P334-V517 HydrophobicContact CG-CG1 4.41Å; V513-V517 PolarHBondContact O-N 2.97Å; D514-V517 PolarHBondContact O-N 3.17Å
518	N	76.7	Confident	74.1	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.059	27%	0.274	C	S	.	.			trans	-126.2	55.8	-170.4	-56.1	-79.5	0	0	0	113	D332 R387 D514 R515 H520 E521	D332-N518 PolarHBondContact OD1-ND2 3.49Å; R387-N518 PolarHBondContact NH1-ND2 3.32Å; R387-N518 PolarHBondContact NH1-OD1 3.39Å; D514-N518 PolarHBondContact O-N 2.77Å; D514-N518 PolarHBondContact O-ND2 3.11Å; D514-N518 VanDerWaalsContact O-ND2 3.1Å; R515-N518 CarbonylContact O-C 3.24Å; R515-N518 VanDerWaalsContact O-C 3.27Å; R515-N518 PolarHBondContact O-N 2.93Å; N518-H520 PolarHBondContact O-N 3.02Å; N518-E521 PolarHBondContact O-N 3.17Å
519	M	64.1	Low	72.9	Confident	109 Å²	109	57.1 Å²	57.1	54%	0.537	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-9.3	-172	-71.4	-82	-161.6	0	0	117.6	R515 L516	R515-M519 WeakPolarHBondContact O-CA 3.26Å; R515-M519 PolarHBondContact O-N 3.01Å; R515-M519 VanDerWaalsContact O-N 3.16Å; L516-M519 HydrophobicContact CD2-CE 3.68Å
520	H	63.1	Low	71.9	Confident	65 Å²	65	57.7 Å²	57.7	30%	0.301	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-16	-175.7	-67.4	-59.1	0	0	0	114.9	N518 T522 S586 Y587	N518-H520 PolarHBondContact O-N 3.02Å; H520-T522 PolarHBondContact O-N 3.18Å; H520-S586 VanDerWaalsContact CE1-CA 3.47Å; H520-S586 WeakPolarHBondContact CE1-CA 3.48Å; H520-S586 WeakPolarHBondContact CE1-CB 3.49Å; H520-S586 PolarHBondContact CE1-O 2.02Å; H520-S586 PolarHBondContact CE1-OG 3.25Å; H520-S586 WeakPolarHBondContact ND1-CB 3.37Å; H520-S586 PolarHBondContact ND1-OG 2.82Å; H520-S586 VanDerWaalsContact ND1-OG 3.14Å; H520-S586 PolarHBondContact NE2-O 3.5Å; H520-S586 PolarHBondContact NE2-OG 3.13Å; H520-Y587 HydrophobicContact CB-CE1 4.35Å; H520-Y587 AromaticContact CD2-CD1 3.02Å; H520-Y587 WeakPolarHBondContact CD2-CD1 3.48Å; H520-Y587 AromaticContact CD2-CE1 3.14Å; H520-Y587 WeakPolarHBondContact CD2-CE1 3.46Å; H520-Y587 AromaticContact CD2-CG 3.65Å; H520-Y587 AromaticContact CD2-CZ 3.86Å; H520-Y587 AromaticContact CG-CE1 3.73Å; H520-Y587 WeakPolarHBondContact NE2-CA 3.44Å; H520-Y587 AromaticContact NE2-CD1 3.51Å; H520-Y587 AromaticContact NE2-CE1 3.98Å; H520-Y587 AromaticContact NE2-CG 3.65Å; H520-Y587 PolarHBondContact NE2-N 3.24Å
521	E	60.6	Low	70.6	Confident	39 Å²	39	61.9 Å²	61.9	18%	0.182	32%	0.32	C	S	.	.			trans	-72.6	102.2	-176.7	-67	179.8	158.7	0	0	108.7	R387 N518	R387-E521 WeakPolarHBondContact CB-OE2 3.48Å; R387-E521 IonicContact CZ-OE1 2.63Å; R387-E521 IonicContact CZ-OE2 2.64Å; R387-E521 IonicContact NH1-OE1 3.87Å; R387-E521 PolarHBondContact NH1-OE1 3.37Å; R387-E521 IonicContact NH1-OE2 3.8Å; R387-E521 PolarHBondContact NH1-OE2 3.13Å; R387-E521 IonicContact NH2-OE1 3.88Å; N518-E521 PolarHBondContact O-N 3.17Å
522	T	55.7	Low	69.5	Low	70 Å²	70	62.8 Å²	62.8	43%	0.429	33%	0.325	S	S	.	.			trans	-66.5	158.5	179.7	61.2	0	0	0	0	110.6	H520 D524	H520-T522 PolarHBondContact O-N 3.18Å; T522-D524 PolarHBondContact O-N 3.34Å; T522-D524 PolarHBondContact OG1-OD2 3.31Å; T522-D524 VanDerWaalsContact OG1-OD2 3.08Å
523	F	54.7	Low	68.4	Low	111 Å²	111	62.7 Å²	62.7	49%	0.487	33%	0.325	S	S	.	.	S	Bend	trans	-71.2	8.9	175	-68.6	-85.6	0	0	0	113.4	P395 W510	P395-F523 HydrophobicContact CG-CD1 3.85Å; P395-F523 HydrophobicContact CG-CE1 4.1Å; W510-F523 HydrophobicContact CH2-CD1 4.25Å; W510-F523 AromaticContact CH2-CE1 3.65Å; W510-F523 HydrophobicContact CH2-CE1 3.65Å; W510-F523 HydrophobicContact CH2-CZ 4.38Å; W510-F523 HydrophobicContact CZ3-CE1 4.39Å
524	D	55.5	Low	67	Low	102 Å²	102	66.9 Å²	66.9	55%	0.545	36%	0.36	S	S	.	.	S	Bend	trans	-79.1	148.8	-175.6	-63.1	-46.8	0	0	0	111.3	T522 E526	T522-D524 PolarHBondContact O-N 3.34Å; T522-D524 PolarHBondContact OG1-OD2 3.31Å; T522-D524 VanDerWaalsContact OG1-OD2 3.08Å; D524-E526 PolarHBondContact O-N 3.35Å
525	T	54.9	Low	65.7	Low	118 Å²	118	71.5 Å²	71.5	72%	0.724	39%	0.385	S	S	*	.	S	Bend	trans	-64.6	-25.1	176.5	46.7	0	0	0	0	112.6	C527	T525-C527 PolarHBondContact O-N 2.77Å
526	E	58.2	Low	65.1	Low	158 Å²	158	70.7 Å²	70.7	74%	0.738	38%	0.384	S	S	*	.	S	Bend	trans	-92.5	86	175.3	-67.6	-174.1	-177.8	0	0	109.8	D524 Q528	D524-E526 PolarHBondContact O-N 3.35Å; E526-Q528 PolarHBondContact O-N 3.17Å
527	C	63.6	Low	64.9	Low	41 Å²	41	71.7 Å²	71.7	28%	0.277	39%	0.393	S	S	.	.			trans	-56.1	108.8	172.9	176.2	0	0	0	0	110.9	C388 T525 L529	C388-C527 HydrophobicContact CB-CB 3.41Å; C388-C527 VanDerWaalsContact CB-CB 3.41Å; C388-C527 WeakPolarHBondContact CB-SG 3.37Å; C388-C527 WeakPolarHBondContact SG-CB 3.39Å; C388-C527 CovalentContact SG-SG 2.02Å; C388-C527 PolarHBondContact SG-SG 3.27Å; T525-C527 PolarHBondContact O-N 2.77Å; C527-L529 PolarHBondContact O-N 2.79Å
528	Q	66.2	Low	65	Low	173 Å²	173	73.2 Å²	73.2	81%	0.808	40%	0.398	S	S	*	.			trans	-83.2	103	168.4	-66.4	-173.3	-4.4	0	0	108.5	E526	E526-Q528 PolarHBondContact O-N 3.17Å
529	L	67.7	Low	65.4	Low	58 Å²	58	76.9 Å²	76.9	30%	0.304	42%	0.415	S	S	.	.			trans	-64.7	144.2	172.7	-80.4	86.8	0	0	0	109.8	T381 A384 R385 C527 L533	T381-L529 HydrophobicContact CG2-CD2 3.86Å; A384-L529 HydrophobicContact CB-CD2 4.47Å; R385-L529 HydrophobicContact CG-CD1 4.44Å; R385-L529 HydrophobicContact CG-CD2 4.48Å; C527-L529 PolarHBondContact O-N 2.79Å; L529-L533 HydrophobicContact CB-CD1 4.34Å; L529-L533 HydrophobicContact CD2-CB 4.39Å; L529-L533 HydrophobicContact CD2-CD1 4.08Å; L529-L533 HydrophobicContact CG-CD1 4.45Å
530	D	69.1	Low	66.4	Low	23 Å²	23	75.6 Å²	75.6	12%	0.123	41%	0.41	C	S	.	.			trans	-53.6	132.7	172.4	-167.9	-67.4	0	0	0	110.7	L333 I532 L533 Y587	L333-D530 HydrophobicContact CD1-CB 4.24Å; L333-D530 HydrophobicContact CD2-CB 4.32Å; L333-D530 WeakPolarHBondContact CD2-OD2 3.4Å; D530-I532 PolarHBondContact O-N 2.76Å; D530-I532 VanDerWaalsContact O-N 3.07Å; D530-I532 VanDerWaalsContact OD1-CB 3.29Å; D530-I532 WeakPolarHBondContact OD1-CB 3.33Å; D530-I532 VanDerWaalsContact OD1-CG1 3.31Å; D530-I532 WeakPolarHBondContact OD1-CG1 3.28Å; D530-I532 PolarHBondContact OD1-N 3.39Å; D530-L533 HydrophobicContact CB-CD1 4.12Å; D530-L533 HydrophobicContact CB-CG 4.26Å; D530-L533 WeakPolarHBondContact O-CB 3.44Å; D530-L533 PolarHBondContact O-N 2.65Å; D530-Y587 PolarHBondContact OD2-OH 2.76Å
531	P	65.1	Low	67.4	Low	91 Å²	91	72.6 Å²	72.6	59%	0.591	40%	0.396	S	S	*	.	H	α-helix	trans	-52.5	-31.7	179.1	-27.3	34.3	0	0	0	114	L533 A534 D535	P531-L533 PolarHBondContact O-N 2.55Å; P531-A534 PolarHBondContact O-N 2.8Å; P531-D535 WeakPolarHBondContact O-CB 3.39Å; P531-D535 PolarHBondContact O-N 3.28Å
532	I	65.9	Low	68.6	Low	32 Å²	32	75.4 Å²	75.4	16%	0.164	41%	0.408	C	S	.	.	H	α-helix	trans	-59.6	-35.3	177.5	-62.6	174.5	0	0	0	110.8	Y336 L337 L340 D530 A534 T536	Y336-I532 HydrophobicContact CE1-CG2 4.02Å; L337-I532 HydrophobicContact CD1-CD1 4.42Å; L340-I532 HydrophobicContact CD1-CG2 3.96Å; D530-I532 PolarHBondContact O-N 2.76Å; D530-I532 VanDerWaalsContact O-N 3.07Å; D530-I532 VanDerWaalsContact OD1-CB 3.29Å; D530-I532 WeakPolarHBondContact OD1-CB 3.33Å; D530-I532 VanDerWaalsContact OD1-CG1 3.31Å; D530-I532 WeakPolarHBondContact OD1-CG1 3.28Å; D530-I532 PolarHBondContact OD1-N 3.39Å; I532-A534 VanDerWaalsContact C-N 3.3Å; I532-A534 PolarHBondContact O-N 2.56Å; I532-T536 PolarHBondContact O-OG1 3.05Å
533	L	65.7	Low	70.2	Confident	17 Å²	17	77.8 Å²	77.8	9%	0.089	42%	0.418	C	S	.	.	H	α-helix	trans	-69.5	-29.5	177.6	-62.2	169.8	0	0	0	112.2	Y336 A380 A384 L529 D530 P531	Y336-L533 HydrophobicContact CD1-CD2 4.08Å; Y336-L533 HydrophobicContact CE1-CD2 3.7Å; A380-L533 HydrophobicContact CB-CD2 3.39Å; A384-L533 HydrophobicContact CB-CD1 3.7Å; L529-L533 HydrophobicContact CB-CD1 4.34Å; L529-L533 HydrophobicContact CD2-CB 4.39Å; L529-L533 HydrophobicContact CD2-CD1 4.08Å; L529-L533 HydrophobicContact CG-CD1 4.45Å; D530-L533 HydrophobicContact CB-CD1 4.12Å; D530-L533 HydrophobicContact CB-CG 4.26Å; D530-L533 WeakPolarHBondContact O-CB 3.44Å; D530-L533 PolarHBondContact O-N 2.65Å; P531-L533 PolarHBondContact O-N 2.55Å
534	A	60.4	Low	71.8	Confident	90 Å²	90	73.1 Å²	73.1	74%	0.744	40%	0.4	S	S	*	.	H	α-helix	trans	-87.6	-35.1	-177.9	0	0	0	0	0	113.3	P531 I532	P531-A534 PolarHBondContact O-N 2.8Å; I532-A534 VanDerWaalsContact C-N 3.3Å; I532-A534 PolarHBondContact O-N 2.56Å
535	D	61.1	Low	73.6	Confident	121 Å²	121	72.2 Å²	72.2	65%	0.647	40%	0.398	S	S	*	.	H	α-helix	trans	-109.3	-2.4	-160.3	-150.4	15.3	0	0	0	114.7	P531 S537 N540	P531-D535 WeakPolarHBondContact O-CB 3.39Å; P531-D535 PolarHBondContact O-N 3.28Å; D535-S537 PolarHBondContact O-N 2.99Å; D535-N540 PolarHBondContact O-ND2 3.15Å; D535-N540 VanDerWaalsContact O-ND2 3.17Å
536	T	71.6	Confident	75.3	Confident	19 Å²	19	66.6 Å²	66.6	12%	0.117	36%	0.363	C	S	.	.			trans	-79.9	89.1	-177.1	-48.7	0	0	0	0	111.7	L340 L373 N377 I532 L541	L340-T536 HydrophobicContact CD1-CG2 3.95Å; L340-T536 HydrophobicContact CD2-CG2 4.18Å; L373-T536 HydrophobicContact CD1-CG2 4.24Å; N377-T536 PolarHBondContact ND2-O 2.8Å; I532-T536 PolarHBondContact O-OG1 3.05Å; T536-L541 HydrophobicContact CG2-CD1 4.34Å; T536-L541 HydrophobicContact CG2-CD2 4.28Å; T536-L541 HydrophobicContact CG2-CG 4.11Å
537	S	81.4	Confident	76.9	Confident	48 Å²	48	61.5 Å²	61.5	34%	0.336	34%	0.337	S	S	.	.			trans	-83.5	156.5	172.1	81.2	0	0	0	0	112.7	D535 E539 N540 L541	D535-S537 PolarHBondContact O-N 2.99Å; S537-E539 VanDerWaalsContact C-N 3.28Å; S537-E539 PolarHBondContact O-N 3.27Å; S537-N540 PolarHBondContact O-N 3.19Å; S537-N540 PolarHBondContact OG-N 3.4Å; S537-N540 VanDerWaalsContact OG-N 3.13Å; S537-N540 PolarHBondContact OG-ND2 3.32Å; S537-N540 PolarHBondContact OG-OD1 2.63Å; S537-L541 PolarHBondContact O-N 3.2Å
538	Y	83.8	Confident	78.1	Confident	42 Å²	42	61.7 Å²	61.7	17%	0.165	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-38.7	174.4	173.8	-101.9	0	0	0	112.3	V369 R370 L373 N540 L541 K542	V369-Y538 HydrophobicContact CB-CE2 3.96Å; V369-Y538 HydrophobicContact CG1-CD2 4.2Å; V369-Y538 HydrophobicContact CG1-CE2 3.71Å; R370-Y538 HydrophobicContact CB-CD2 3.85Å; R370-Y538 HydrophobicContact CB-CE2 4.08Å; R370-Y538 HydrophobicContact CB-CG 4.21Å; R370-Y538 HydrophobicContact CG-CD2 4.41Å; R370-Y538 HydrophobicContact CG-CG 4.32Å; L373-Y538 VanDerWaalsContact CD2-CA 3.46Å; Y538-N540 VanDerWaalsContact C-N 3.31Å; Y538-N540 PolarHBondContact O-N 2.54Å; Y538-L541 PolarHBondContact O-N 2.95Å; Y538-K542 HydrophobicContact CE1-CD 4.2Å; Y538-K542 WeakPolarHBondContact O-CB 3.4Å; Y538-K542 PolarHBondContact O-N 3.44Å
539	E	84.9	Confident	79.2	Confident	88 Å²	88	55.2 Å²	55.2	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-36.3	177.9	-60.9	-55.4	142.3	0	0	111.4	R370 S537 K542 N543	R370-E539 IonicContact NH2-OE1 3.24Å; S537-E539 VanDerWaalsContact C-N 3.28Å; S537-E539 PolarHBondContact O-N 3.27Å; E539-K542 PolarHBondContact O-N 3.14Å; E539-N543 VanDerWaalsContact O-CB 3.24Å; E539-N543 WeakPolarHBondContact O-CB 3.4Å; E539-N543 PolarHBondContact O-N 3.26Å; E539-N543 PolarHBondContact O-ND2 2.86Å; E539-N543 VanDerWaalsContact O-ND2 3.14Å
540	N	84.8	Confident	79.9	Confident	81 Å²	81	52.7 Å²	52.7	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-40.2	174.5	-67.9	-12.8	0	0	0	111.7	D535 S537 Y538 S544	D535-N540 PolarHBondContact O-ND2 3.15Å; D535-N540 VanDerWaalsContact O-ND2 3.17Å; S537-N540 PolarHBondContact O-N 3.19Å; S537-N540 PolarHBondContact OG-N 3.4Å; S537-N540 VanDerWaalsContact OG-N 3.13Å; S537-N540 PolarHBondContact OG-ND2 3.32Å; S537-N540 PolarHBondContact OG-OD1 2.63Å; Y538-N540 VanDerWaalsContact C-N 3.31Å; Y538-N540 PolarHBondContact O-N 2.54Å; N540-S544 PolarHBondContact O-N 3.41Å
541	L	84.6	Confident	80.5	Confident	2 Å²	2	54 Å²	54	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-40	175.8	-75.2	177.1	0	0	0	112.6	L340 L343 S344 L373 T536 S537 Y538 S544 Y610	L340-L541 HydrophobicContact CB-CD2 4.48Å; L340-L541 HydrophobicContact CD2-CD1 4.49Å; L343-L541 HydrophobicContact CD2-CD1 4.15Å; S344-L541 PolarHBondContact OG-O 2.66Å; L373-L541 HydrophobicContact CB-CD1 4.4Å; L373-L541 HydrophobicContact CD1-CD1 3.4Å; L373-L541 VanDerWaalsContact CD1-CD1 3.4Å; L373-L541 HydrophobicContact CD2-CD1 3.64Å; L373-L541 HydrophobicContact CG-CD1 3.96Å; T536-L541 HydrophobicContact CG2-CD1 4.34Å; T536-L541 HydrophobicContact CG2-CD2 4.28Å; T536-L541 HydrophobicContact CG2-CG 4.11Å; S537-L541 PolarHBondContact O-N 3.2Å; Y538-L541 PolarHBondContact O-N 2.95Å; L541-S544 WeakPolarHBondContact O-CB 3.08Å; L541-S544 PolarHBondContact O-N 3.15Å; L541-Y610 HydrophobicContact CD2-CE1 4.41Å; L541-Y610 HydrophobicContact CD2-CE2 3.67Å; L541-Y610 VanDerWaalsContact CD2-OH 3.24Å; L541-Y610 WeakPolarHBondContact CD2-OH 3.31Å
542	K	86.2	Confident	81.3	Confident	98 Å²	98	53.2 Å²	53.2	43%	0.426	30%	0.301	S	S	.	.	H	α-helix	trans	-70.1	-37.9	178.9	-172.2	-177.5	177.1	-172.5	0	112.5	Y538 E539 S544 Y547	Y538-K542 HydrophobicContact CE1-CD 4.2Å; Y538-K542 WeakPolarHBondContact O-CB 3.4Å; Y538-K542 PolarHBondContact O-N 3.44Å; E539-K542 PolarHBondContact O-N 3.14Å; K542-S544 PolarHBondContact O-N 3.07Å; K542-Y547 HydrophobicContact CB-CE2 4.47Å; K542-Y547 HydrophobicContact CG-CE2 4.36Å; K542-Y547 WeakPolarHBondContact O-CB 3.44Å
543	N	88.1	Confident	82.1	Confident	120 Å²	120	54.9 Å²	54.9	64%	0.642	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	0.2	177	-65.3	-25.6	0	0	0	112.9	E539	E539-N543 VanDerWaalsContact O-CB 3.24Å; E539-N543 WeakPolarHBondContact O-CB 3.4Å; E539-N543 PolarHBondContact O-N 3.26Å; E539-N543 PolarHBondContact O-ND2 2.86Å; E539-N543 VanDerWaalsContact O-ND2 3.14Å
544	S	89.3	Confident	82.7	Confident	14 Å²	14	62.6 Å²	62.6	10%	0.098	35%	0.352	C	S	.	.	S	Bend	trans	-63.1	141.3	176.7	-173.2	0	0	0	0	111.2	S344 N540 L541 K542 I546 Y547 Y610	S344-S544 WeakPolarHBondContact OG-CB 3.2Å; N540-S544 PolarHBondContact O-N 3.41Å; L541-S544 WeakPolarHBondContact O-CB 3.08Å; L541-S544 PolarHBondContact O-N 3.15Å; K542-S544 PolarHBondContact O-N 3.07Å; S544-I546 PolarHBondContact O-N 3.06Å; S544-I546 WeakPolarHBondContact OG-CG1 3.49Å; S544-Y547 WeakPolarHBondContact O-CB 3.11Å; S544-Y547 PolarHBondContact O-N 3.1Å; S544-Y610 WeakPolarHBondContact CB-OH 3.29Å; S544-Y610 PolarHBondContact OG-OH 3.15Å
545	V	92.7	Very high	83.8	Confident	83 Å²	83	61.9 Å²	61.9	50%	0.503	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.7	177.6	-64.2	0	0	0	0	113.8	A618	V545-A618 HydrophobicContact CB-CB 4.16Å; V545-A618 HydrophobicContact CG2-CB 3.75Å
546	I	92.1	Very high	85	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-0.4	178.8	67.2	171.2	0	0	0	114	L341 Y345 S544 N548 L549 S614 I617 A618	L341-I546 HydrophobicContact CD2-CD1 3.78Å; Y345-I546 HydrophobicContact CD2-CB 4.38Å; S544-I546 PolarHBondContact O-N 3.06Å; S544-I546 WeakPolarHBondContact OG-CG1 3.49Å; I546-N548 PolarHBondContact O-N 3.33Å; I546-L549 HydrophobicContact CB-CD1 4.25Å; I546-L549 HydrophobicContact CG2-CD1 4.32Å; I546-L549 WeakPolarHBondContact O-CB 3.38Å; I546-L549 PolarHBondContact O-N 3.4Å; I546-L549 VanDerWaalsContact O-N 3.14Å; I546-S614 WeakPolarHBondContact CG2-O 3.29Å; I546-I617 HydrophobicContact CB-CG2 4.37Å; I546-I617 HydrophobicContact CD1-CD1 4.09Å; I546-I617 HydrophobicContact CG2-CB 3.79Å; I546-I617 HydrophobicContact CG2-CG2 3.69Å; I546-A618 HydrophobicContact CG2-CB 4.32Å
547	Y	91	Very high	85.9	Confident	50 Å²	50	57.2 Å²	57.2	20%	0.196	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	125	-175.5	-173.4	-93	0	0	0	110.6	S344 P347 D350 K542 S544 L549	S344-Y547 VanDerWaalsContact O-CA 3.29Å; S344-Y547 WeakPolarHBondContact O-CA 3.35Å; P347-Y547 HydrophobicContact CB-CE2 3.79Å; P347-Y547 WeakPolarHBondContact CB-OH 3.3Å; P347-Y547 HydrophobicContact CG-CE1 4.11Å; P347-Y547 HydrophobicContact CG-CE2 3.99Å; D350-Y547 PolarHBondContact OD2-OH 2.86Å; D350-Y547 VanDerWaalsContact OD2-OH 3.07Å; K542-Y547 HydrophobicContact CB-CE2 4.47Å; K542-Y547 HydrophobicContact CG-CE2 4.36Å; K542-Y547 WeakPolarHBondContact O-CB 3.44Å; S544-Y547 WeakPolarHBondContact O-CB 3.11Å; S544-Y547 PolarHBondContact O-N 3.1Å; Y547-L549 PolarHBondContact O-N 3.31Å; Y547-L549 VanDerWaalsContact O-N 3.09Å
548	N	88.9	Confident	86.2	Confident	45 Å²	45	58.2 Å²	58.2	24%	0.241	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	10	179	-160.1	24.4	0	0	0	116.3	S344 P347 I546 G550 C551 S552	S344-N548 PolarHBondContact O-N 3.12Å; P347-N548 HydrophobicContact CG-CB 3.87Å; I546-N548 PolarHBondContact O-N 3.33Å; N548-G550 VanDerWaalsContact C-N 3.25Å; N548-G550 PolarHBondContact O-N 3.17Å; N548-C551 PolarHBondContact O-N 3.27Å; N548-C551 WeakPolarHBondContact OD1-CB 3.36Å; N548-S552 PolarHBondContact O-N 3.31Å; N548-S552 PolarHBondContact O-OG 2.79Å
549	L	88.3	Confident	86.5	Confident	38 Å²	38	56.8 Å²	56.8	20%	0.199	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-29.9	176.4	-72.5	-172.2	0	0	0	112.6	Y345 I546 Y547 C551 S552 L553	Y345-L549 HydrophobicContact CD2-CB 3.83Å; Y345-L549 HydrophobicContact CE2-CB 3.56Å; I546-L549 HydrophobicContact CB-CD1 4.25Å; I546-L549 HydrophobicContact CG2-CD1 4.32Å; I546-L549 WeakPolarHBondContact O-CB 3.38Å; I546-L549 PolarHBondContact O-N 3.4Å; I546-L549 VanDerWaalsContact O-N 3.14Å; Y547-L549 PolarHBondContact O-N 3.31Å; Y547-L549 VanDerWaalsContact O-N 3.09Å; L549-C551 VanDerWaalsContact C-N 3.28Å; L549-C551 PolarHBondContact O-N 3.16Å; L549-S552 WeakPolarHBondContact CA-OG 3.25Å; L549-S552 PolarHBondContact O-OG 2.89Å; L549-L553 HydrophobicContact CD2-CD1 4.45Å; L549-L553 WeakPolarHBondContact O-CG 3.28Å
550	G	83.9	Confident	86.7	Confident	5 Å²	5	53.1 Å²	53.1	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-70.6	-21.3	-179.4	0	0	0	0	0	114	Y345 F346 N548 T556	Y345-G550 VanDerWaalsContact CE2-N 3.3Å; Y345-G550 WeakPolarHBondContact O-CA 3.41Å; Y345-G550 PolarHBondContact O-N 3.12Å; F346-G550 VanDerWaalsContact CE1-O 3.28Å; F346-G550 WeakPolarHBondContact CE1-O 3.46Å; N548-G550 VanDerWaalsContact C-N 3.25Å; N548-G550 PolarHBondContact O-N 3.17Å; G550-T556 WeakPolarHBondContact O-CG2 3.47Å
551	C	81	Confident	87	Confident	50 Å²	50	49.2 Å²	49.2	34%	0.338	26%	0.262	S	S	.	.	H	α-helix	trans	-105.5	-22.9	-177.2	-62	0	0	0	0	113.1	F346 C351 N548 L549	F346-C551 VanDerWaalsContact CD1-SG 3.6Å; C351-C551 HydrophobicContact CB-CB 4.06Å; C351-C551 WeakPolarHBondContact CB-SG 3.46Å; C351-C551 WeakPolarHBondContact SG-CB 3.18Å; C351-C551 CovalentContact SG-SG 2Å; C351-C551 PolarHBondContact SG-SG 3.48Å; N548-C551 PolarHBondContact O-N 3.27Å; N548-C551 WeakPolarHBondContact OD1-CB 3.36Å; L549-C551 VanDerWaalsContact C-N 3.28Å; L549-C551 PolarHBondContact O-N 3.16Å
552	S	82.4	Confident	87.3	Confident	74 Å²	74	49.1 Å²	49.1	52%	0.517	26%	0.261	S	S	.	.	H	α-helix	trans	-81.7	-18	177.2	51.3	0	0	0	0	113.8	N548 L549	N548-S552 PolarHBondContact O-N 3.31Å; N548-S552 PolarHBondContact O-OG 2.79Å; L549-S552 WeakPolarHBondContact CA-OG 3.25Å; L549-S552 PolarHBondContact O-OG 2.89Å
553	L	81.3	Confident	87.5	Confident	67 Å²	67	44.5 Å²	44.5	35%	0.351	24%	0.241	S	C	.	.			trans	-115.4	143.5	-172	-58.9	176.7	0	0	0	112.5	L549 R555 H621	L549-L553 HydrophobicContact CD2-CD1 4.45Å; L549-L553 WeakPolarHBondContact O-CG 3.28Å; L553-R555 PolarHBondContact O-N 2.95Å; L553-H621 HydrophobicContact CD1-CB 4.14Å; L553-H621 WeakPolarHBondContact CD1-ND1 3.31Å
554	N	78.7	Confident	87.6	Confident	180 Å²	180	38.9 Å²	38.9	96%	0.963	21%	0.211	S	C	*	.	S	Bend	trans	-75	-4.6	176.1	-68	-20.1	0	0	0	113.9
555	R	83.7	Confident	87.6	Confident	75 Å²	75	42.7 Å²	42.7	28%	0.283	23%	0.227	S	C	.	.	S	Bend	trans	-122.1	100.7	-178.6	-178.2	175	173.5	-138.9	3.9	108.2	P316 L553 D595 F620 H621	P316-R555 HydrophobicContact CG-CG 4.12Å; L553-R555 PolarHBondContact O-N 2.95Å; R555-D595 IonicContact CZ-OD2 3.87Å; R555-D595 IonicContact NE-OD2 2.96Å; R555-D595 IonicContact NH2-OD2 3.07Å; R555-D595 PolarHBondContact NH2-OD2 2.85Å; R555-F620 VanDerWaalsContact NH2-CE2 3.26Å; R555-H621 PolarHBondContact O-CE1 3.43Å
556	T	86.9	Confident	87.3	Confident	40 Å²	40	40.4 Å²	40.4	25%	0.245	21%	0.212	C	C	.	.			trans	-108.2	148.5	-173.8	59.8	0	0	0	0	111.8	Y345 F346 G550	Y345-T556 WeakPolarHBondContact OH-CA 3.46Å; F346-T556 HydrophobicContact CE1-CG2 4.2Å; F346-T556 HydrophobicContact CZ-CG2 4.35Å; G550-T556 WeakPolarHBondContact O-CG2 3.47Å
557	L	90	Very high	87.2	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.219	C	C	.	.			trans	-91.5	134.6	176.2	-72.3	164.5	0	0	0	111.3	P316 Y345 F559 I593 I617 F620	P316-L557 HydrophobicContact CB-CD2 3.72Å; P316-L557 WeakPolarHBondContact O-CA 2.9Å; Y345-L557 HydrophobicContact CE1-CB 4.14Å; Y345-L557 PolarHBondContact OH-N 2.8Å; L557-F559 HydrophobicContact CB-CE2 4.4Å; L557-F559 WeakPolarHBondContact O-CE2 3.27Å; L557-I593 HydrophobicContact CD1-CD1 4.34Å; L557-I593 HydrophobicContact CD2-CG1 4.5Å; L557-I593 HydrophobicContact CD2-CG2 3.8Å; L557-I617 HydrophobicContact CD1-CB 4.42Å; L557-I617 HydrophobicContact CD1-CG1 4.13Å; L557-I617 HydrophobicContact CD1-CG2 3.85Å; L557-F620 HydrophobicContact CD1-CD1 3.99Å; L557-F620 HydrophobicContact CD1-CE1 4.26Å; L557-F620 HydrophobicContact CD2-CD1 4.29Å; L557-F620 HydrophobicContact CD2-CE1 3.85Å; L557-F620 HydrophobicContact CD2-CZ 4.23Å; L557-F620 HydrophobicContact CG-CD1 4.33Å; L557-F620 HydrophobicContact CG-CE1 4.09Å
558	E	87.5	Confident	87	Confident	70 Å²	70	43 Å²	43	33%	0.327	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	146.5	162.9	-69.2	-171.5	-177	0	0	111.2	T315 P316 I317 L318 H560	T315-E558 WeakPolarHBondContact OG1-CG 3.11Å; P316-E558 PolarHBondContact O-N 2.89Å; P316-E558 VanDerWaalsContact O-N 3.1Å; I317-E558 CarbonylContact C-O 3.25Å; I317-E558 WeakPolarHBondContact CA-O 3.2Å; I317-E558 HydrophobicContact CG2-CB 4.17Å; L318-E558 PolarHBondContact N-O 3.31Å; E558-H560 IonicContact OE2-NE2 3.13Å; E558-H560 PolarHBondContact OE2-NE2 2.97Å
559	F	89.5	Confident	86.9	Confident	12 Å²	12	45.2 Å²	45.2	5%	0.053	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.6	-173.5	-66	-111.9	0	0	0	109.5	P294 L318 L338 L341 K342 Y345 F346 L557 I617	P294-F559 WeakPolarHBondContact CA-O 3.12Å; L318-F559 HydrophobicContact CB-CD1 4.47Å; L318-F559 HydrophobicContact CD2-CD1 3.64Å; L318-F559 HydrophobicContact CD2-CE1 3.57Å; L338-F559 HydrophobicContact CD2-CD1 4.1Å; L341-F559 HydrophobicContact CB-CE1 3.86Å; K342-F559 HydrophobicContact CG-CD2 4.46Å; Y345-F559 AromaticContact CD1-CE2 3.62Å; Y345-F559 HydrophobicContact CD1-CE2 3.62Å; Y345-F559 AromaticContact CD1-CZ 3.83Å; Y345-F559 HydrophobicContact CD1-CZ 3.83Å; Y345-F559 HydrophobicContact CE1-CE2 4.12Å; Y345-F559 HydrophobicContact CG-CE2 4.4Å; Y345-F559 HydrophobicContact CG-CZ 4.18Å; F346-F559 HydrophobicContact CE2-CE2 4.34Å; L557-F559 HydrophobicContact CB-CE2 4.4Å; L557-F559 WeakPolarHBondContact O-CE2 3.27Å; F559-I617 HydrophobicContact CE1-CD1 4.12Å; F559-I617 HydrophobicContact CZ-CD1 4.23Å
560	H	89.8	Confident	86.9	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.046	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	164.4	-175.4	-69.6	-64.8	0	0	0	112.4	V295 I297 L318 L319 L320 E558	V295-H560 WeakPolarHBondContact O-CA 3.4Å; V295-H560 WeakPolarHBondContact O-CB 3.33Å; V295-H560 PolarHBondContact O-ND1 2.77Å; I297-H560 HydrophobicContact CD1-CB 4.09Å; I297-H560 HydrophobicContact CG1-CB 4.2Å; I297-H560 HydrophobicContact CG2-CB 4.22Å; L318-H560 PolarHBondContact O-N 3.05Å; L319-H560 HydrophobicContact CD1-CB 3.8Å; L320-H560 PolarHBondContact N-O 2.9Å; E558-H560 IonicContact OE2-NE2 3.13Å; E558-H560 PolarHBondContact OE2-NE2 2.97Å
561	T	91	Very high	87.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.9	173	51.5	0	0	0	0	111.6	V295 D296 I297 L320 M325 L335 L338	V295-T561 PolarHBondContact O-N 2.81Å; D296-T561 WeakPolarHBondContact CA-OG1 3.45Å; D296-T561 WeakPolarHBondContact CB-OG1 3.45Å; D296-T561 VanDerWaalsContact OD1-O 3.1Å; I297-T561 WeakPolarHBondContact CG1-O 3.42Å; I297-T561 PolarHBondContact N-O 3.31Å; L320-T561 HydrophobicContact CB-CG2 4.21Å; L320-T561 HydrophobicContact CD2-CG2 4.39Å; L320-T561 CarbonylContact O-C 3.59Å; L320-T561 VanDerWaalsContact O-CA 3.24Å; L320-T561 WeakPolarHBondContact O-CA 3.27Å; M325-T561 HydrophobicContact SD-CG2 4.23Å; L335-T561 HydrophobicContact CD2-CG2 3.67Å; L338-T561 HydrophobicContact CD1-CG2 3.63Å
562	L	90.9	Very high	87.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127	172	171.6	65.4	0	0	0	109.8	T298 W308 L319 L320 I321 G322 S564 Q567 L570 A571	T298-L562 HydrophobicContact CG2-CD1 4.37Å; W308-L562 HydrophobicContact CH2-CD2 4.45Å; W308-L562 HydrophobicContact CZ2-CD1 4.18Å; L319-L562 HydrophobicContact CD1-CB 3.86Å; L319-L562 HydrophobicContact CD2-CB 3.94Å; L319-L562 HydrophobicContact CD2-CD2 4Å; L319-L562 HydrophobicContact CG-CB 4.01Å; L320-L562 PolarHBondContact O-N 3.08Å; I321-L562 WeakPolarHBondContact CA-O 3.11Å; I321-L562 HydrophobicContact CG1-CB 4.3Å; I321-L562 HydrophobicContact CG1-CD2 4.36Å; I321-L562 HydrophobicContact CG2-CD2 4.37Å; G322-L562 PolarHBondContact N-O 2.97Å; G322-L562 VanDerWaalsContact N-O 3.1Å; L562-S564 PolarHBondContact O-N 3.47Å; L562-Q567 HydrophobicContact CD1-CB 4.33Å; L562-L570 HydrophobicContact CD1-CD2 4.12Å; L562-L570 HydrophobicContact CD2-CG 4.48Å; L562-A571 HydrophobicContact CD2-CB 4.18Å
563	D	90.9	Very high	87.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108.4	177.8	-165.5	-44.8	0	0	0	111	T298 G322 H324 M325 S326 H565 L566 Q567	T298-D563 HydrophobicContact CG2-CB 3.78Å; T298-D563 VanDerWaalsContact OG1-CB 3.3Å; T298-D563 WeakPolarHBondContact OG1-CB 3.37Å; T298-D563 PolarHBondContact OG1-N 3.3Å; G322-D563 CarbonylContact O-C 3.55Å; G322-D563 WeakPolarHBondContact O-CA 3.28Å; H324-D563 WeakPolarHBondContact CA-OD2 3.39Å; H324-D563 PolarHBondContact N-OD1 2.51Å; H324-D563 VanDerWaalsContact N-OD1 3.15Å; H324-D563 PolarHBondContact N-OD2 3.02Å; M325-D563 HydrophobicContact CB-CB 4.28Å; M325-D563 PolarHBondContact N-OD2 3.04Å; M325-D563 VanDerWaalsContact N-OD2 3.14Å; S326-D563 VanDerWaalsContact CB-OD2 3.26Å; S326-D563 WeakPolarHBondContact CB-OD2 3.23Å; S326-D563 PolarHBondContact N-OD2 3.22Å; S326-D563 PolarHBondContact OG-OD2 2.85Å; D563-H565 VanDerWaalsContact C-N 3.3Å; D563-H565 PolarHBondContact O-N 2.91Å; D563-H565 WeakPolarHBondContact OD1-CA 3.45Å; D563-H565 VanDerWaalsContact OD1-CB 3.28Å; D563-H565 WeakPolarHBondContact OD1-CB 3.24Å; D563-H565 PolarHBondContact OD1-N 3.34Å; D563-L566 HydrophobicContact CB-CB 4.28Å; D563-L566 HydrophobicContact CB-CD1 4.37Å; D563-L566 HydrophobicContact CB-CG 4.4Å; D563-L566 PolarHBondContact OD1-N 3.4Å; D563-L566 VanDerWaalsContact OD1-N 3.08Å; D563-Q567 PolarHBondContact O-N 2.97Å
564	S	90.6	Very high	88	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.2	179.8	66.4	0	0	0	0	113.6	G322 P323 L562 P568 Y577	G322-S564 PolarHBondContact O-N 3.43Å; G322-S564 PolarHBondContact O-OG 3.49Å; P323-S564 WeakPolarHBondContact CA-OG 3.49Å; L562-S564 PolarHBondContact O-N 3.47Å; S564-P568 WeakPolarHBondContact O-CA 3.35Å; S564-P568 WeakPolarHBondContact O-CB 3.26Å; S564-P568 WeakPolarHBondContact O-CD 3.26Å; S564-Y577 VanDerWaalsContact OG-CE1 3.31Å; S564-Y577 WeakPolarHBondContact OG-CE1 3.4Å
565	H	88.1	Confident	88.3	Confident	94 Å²	94	35.2 Å²	35.2	44%	0.435	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-41.7	174.8	174.8	-84.1	0	0	0	110.6	P323 H324 D563	P323-H565 HydrophobicContact CB-CB 4.34Å; H324-H565 AromaticContact CE1-CD2 3.6Å; H324-H565 AromaticContact CE1-CG 3.59Å; H324-H565 AromaticContact CE1-ND1 3.91Å; H324-H565 AromaticContact CE1-NE2 3.95Å; D563-H565 VanDerWaalsContact C-N 3.3Å; D563-H565 PolarHBondContact O-N 2.91Å; D563-H565 WeakPolarHBondContact OD1-CA 3.45Å; D563-H565 VanDerWaalsContact OD1-CB 3.28Å; D563-H565 WeakPolarHBondContact OD1-CB 3.24Å; D563-H565 PolarHBondContact OD1-N 3.34Å
566	L	87.3	Confident	88.4	Confident	34 Å²	34	31.7 Å²	31.7	18%	0.178	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-35.2	176	-65.9	-179.6	0	0	0	112.9	P154 T156 L223 T298 S326 D563 P568	P154-L566 HydrophobicContact CB-CD2 3.99Å; P154-L566 HydrophobicContact CG-CD1 3.87Å; P154-L566 HydrophobicContact CG-CD2 4.08Å; T156-L566 HydrophobicContact CG2-CD2 4.37Å; L223-L566 HydrophobicContact CD1-CD1 4.01Å; T298-L566 HydrophobicContact CG2-CB 3.91Å; T298-L566 HydrophobicContact CG2-CD1 4.1Å; S326-L566 WeakPolarHBondContact OG-CD1 3.33Å; D563-L566 HydrophobicContact CB-CB 4.28Å; D563-L566 HydrophobicContact CB-CD1 4.37Å; D563-L566 HydrophobicContact CB-CG 4.4Å; D563-L566 PolarHBondContact OD1-N 3.4Å; D563-L566 VanDerWaalsContact OD1-N 3.08Å; L566-P568 VanDerWaalsContact C-CD 3.48Å
567	Q	88.7	Confident	88.3	Confident	32 Å²	32	30 Å²	30	15%	0.15	15%	0.154	C	C	.	.			trans	-131.3	62.5	-174.8	-66.9	-66.5	-26	0	0	112.6	T298 P299 L562 D563 T569 L570 A571	T298-Q567 HydrophobicContact CG2-CB 4.41Å; T298-Q567 HydrophobicContact CG2-CG 3.8Å; P299-Q567 HydrophobicContact CB-CG 4.38Å; P299-Q567 WeakPolarHBondContact O-CG 3.29Å; P299-Q567 PolarHBondContact O-NE2 3.36Å; L562-Q567 HydrophobicContact CD1-CB 4.33Å; D563-Q567 PolarHBondContact O-N 2.97Å; Q567-T569 PolarHBondContact O-N 2.99Å; Q567-L570 HydrophobicContact CB-CB 3.96Å; Q567-L570 HydrophobicContact CB-CD2 4.35Å; Q567-L570 PolarHBondContact O-N 3.39Å; Q567-A571 WeakPolarHBondContact O-CB 3.38Å; Q567-A571 PolarHBondContact O-N 3.45Å
568	P	88.5	Confident	88	Confident	74 Å²	74	30.4 Å²	30.4	48%	0.481	16%	0.157	S	C	.	.	H	α-helix	trans	-63.9	-39.6	-175.2	23.9	-33.9	0	0	0	113.2	S564 L566 A571 W572	S564-P568 WeakPolarHBondContact O-CA 3.35Å; S564-P568 WeakPolarHBondContact O-CB 3.26Å; S564-P568 WeakPolarHBondContact O-CD 3.26Å; L566-P568 VanDerWaalsContact C-CD 3.48Å; P568-A571 PolarHBondContact O-N 3.25Å; P568-W572 PolarHBondContact O-N 3.43Å; P568-W572 VanDerWaalsContact O-N 3.08Å
569	T	86.3	Confident	87.3	Confident	91 Å²	91	30 Å²	30	56%	0.558	16%	0.157	S	C	*	.	H	α-helix	trans	-64	-43.8	177.6	-53.2	0	0	0	0	111.1	Q567 W572 E573	Q567-T569 PolarHBondContact O-N 2.99Å; T569-W572 PolarHBondContact O-N 2.96Å; T569-E573 HydrophobicContact CG2-CG 4.32Å; T569-E573 WeakPolarHBondContact O-CB 3.41Å; T569-E573 WeakPolarHBondContact O-CG 3.06Å; T569-E573 PolarHBondContact O-N 3.27Å
570	L	87.8	Confident	86.4	Confident	36 Å²	36	34.5 Å²	34.5	19%	0.188	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-42.5	178.6	-171.2	64.9	0	0	0	111.7	P299 W308 L562 Q567 W572 E573 I574	P299-L570 HydrophobicContact CG-CD2 3.72Å; W308-L570 HydrophobicContact CZ2-CD2 4Å; L562-L570 HydrophobicContact CD1-CD2 4.12Å; L562-L570 HydrophobicContact CD2-CG 4.48Å; Q567-L570 HydrophobicContact CB-CB 3.96Å; Q567-L570 HydrophobicContact CB-CD2 4.35Å; Q567-L570 PolarHBondContact O-N 3.39Å; L570-W572 VanDerWaalsContact C-N 3.26Å; L570-W572 PolarHBondContact O-N 2.93Å; L570-E573 PolarHBondContact O-N 3.26Å; L570-I574 HydrophobicContact CD1-CD1 3.47Å; L570-I574 VanDerWaalsContact CD1-CD1 3.47Å; L570-I574 HydrophobicContact CD1-CG1 3.91Å; L570-I574 HydrophobicContact CD2-CD1 4.42Å; L570-I574 HydrophobicContact CG-CD1 3.73Å; L570-I574 HydrophobicContact CG-CG1 4.28Å; L570-I574 WeakPolarHBondContact O-CB 2.93Å; L570-I574 WeakPolarHBondContact O-CG1 3.15Å; L570-I574 PolarHBondContact O-N 3.15Å
571	A	90.7	Very high	85.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-40	175.9	0	0	0	0	0	111.9	I321 L562 Q567 P568 G575 G576 Y577	I321-A571 HydrophobicContact CG2-CB 3.74Å; L562-A571 HydrophobicContact CD2-CB 4.18Å; Q567-A571 WeakPolarHBondContact O-CB 3.38Å; Q567-A571 PolarHBondContact O-N 3.45Å; P568-A571 PolarHBondContact O-N 3.25Å; A571-G575 PolarHBondContact O-N 3.01Å; A571-G575 VanDerWaalsContact O-N 3.13Å; A571-G576 PolarHBondContact O-N 3.44Å; A571-Y577 HydrophobicContact CB-CD1 4.09Å; A571-Y577 PolarHBondContact O-N 2.87Å
572	W	88.7	Confident	84.4	Confident	38 Å²	38	41.1 Å²	41.1	14%	0.144	23%	0.229	C	C	.	.	H	α-helix	trans	-69.1	-49.5	173.5	179.8	-98.6	0	0	0	112.4	P568 T569 L570 I574 G576 Y577 W628 Y631 K633	P568-W572 PolarHBondContact O-N 3.43Å; P568-W572 VanDerWaalsContact O-N 3.08Å; T569-W572 PolarHBondContact O-N 2.96Å; L570-W572 VanDerWaalsContact C-N 3.26Å; L570-W572 PolarHBondContact O-N 2.93Å; W572-I574 VanDerWaalsContact C-N 3.29Å; W572-I574 PolarHBondContact O-N 3.46Å; W572-G576 WeakPolarHBondContact CZ3-O 3.43Å; W572-G576 VanDerWaalsContact O-CA 3.23Å; W572-G576 WeakPolarHBondContact O-CA 3.37Å; W572-G576 PolarHBondContact O-N 3.36Å; W572-Y577 WeakPolarHBondContact CA-O 3.17Å; W572-Y577 PolarHBondContact N-O 3.29Å; W572-W628 WeakPolarHBondContact O-CH2 3.45Å; W572-Y631 AromaticContact CH2-CE2 3.89Å; W572-Y631 HydrophobicContact CH2-CE2 3.89Å; W572-Y631 HydrophobicContact CZ2-CD2 4.26Å; W572-Y631 HydrophobicContact CZ2-CE2 4.03Å; W572-Y631 WeakPolarHBondContact CZ2-O 3.39Å; W572-Y631 PolarHBondContact NE1-O 2.93Å; W572-K633 HydrophobicContact CD2-CB 4.27Å; W572-K633 HydrophobicContact CD2-CD 4.46Å; W572-K633 HydrophobicContact CD2-CG 4.37Å; W572-K633 HydrophobicContact CH2-CG 4.41Å; W572-K633 VanDerWaalsContact CZ2-CA 3.49Å; W572-K633 HydrophobicContact CZ2-CB 3.86Å; W572-K633 HydrophobicContact CZ2-CG 4.24Å
573	E	86.2	Confident	83.4	Confident	98 Å²	98	43.4 Å²	43.4	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-67	-28.3	-175.5	-76.3	-179.2	179.4	0	0	113.2	T569 L570 R630	T569-E573 HydrophobicContact CG2-CG 4.32Å; T569-E573 WeakPolarHBondContact O-CB 3.41Å; T569-E573 WeakPolarHBondContact O-CG 3.06Å; T569-E573 PolarHBondContact O-N 3.27Å; L570-E573 PolarHBondContact O-N 3.26Å; E573-R630 WeakPolarHBondContact O-CD 3.32Å
574	I	85.9	Confident	82.4	Confident	30 Å²	30	44.3 Å²	44.3	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-91.7	-52.3	-179.5	-67.9	-174.6	0	0	0	111.1	W308 L319 L570 W572 I594 V601 W628	W308-I574 HydrophobicContact CE3-CD1 4.05Å; W308-I574 HydrophobicContact CH2-CD1 3.57Å; W308-I574 HydrophobicContact CZ2-CD1 4.44Å; W308-I574 HydrophobicContact CZ3-CD1 3.35Å; L319-I574 HydrophobicContact CD2-CG2 4.37Å; L570-I574 HydrophobicContact CD1-CD1 3.47Å; L570-I574 VanDerWaalsContact CD1-CD1 3.47Å; L570-I574 HydrophobicContact CD1-CG1 3.91Å; L570-I574 HydrophobicContact CD2-CD1 4.42Å; L570-I574 HydrophobicContact CG-CD1 3.73Å; L570-I574 HydrophobicContact CG-CG1 4.28Å; L570-I574 WeakPolarHBondContact O-CB 2.93Å; L570-I574 WeakPolarHBondContact O-CG1 3.15Å; L570-I574 PolarHBondContact O-N 3.15Å; W572-I574 VanDerWaalsContact C-N 3.29Å; W572-I574 PolarHBondContact O-N 3.46Å; I574-I594 HydrophobicContact CG2-CD1 3.29Å; I574-I594 HydrophobicContact CG2-CG1 3.99Å; I574-V601 WeakPolarHBondContact O-CG1 3.32Å; I574-W628 WeakPolarHBondContact O-CZ3 3.45Å
575	G	86.1	Confident	81.4	Confident	2 Å²	2	46.1 Å²	46.1	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-118.5	7.1	-169.2	0	0	0	0	0	114.5	A571 Y577 R603	A571-G575 PolarHBondContact O-N 3.01Å; A571-G575 VanDerWaalsContact O-N 3.13Å; G575-Y577 PolarHBondContact O-N 2.86Å; G575-R603 WeakPolarHBondContact O-CD 3.09Å; G575-R603 WeakPolarHBondContact O-CG 3.07Å
576	G	84.5	Confident	80.5	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.255	C	S	.	.			trans	62.8	26.3	-178.6	0	0	0	0	0	113.5	A571 W572 R603	A571-G576 PolarHBondContact O-N 3.44Å; W572-G576 WeakPolarHBondContact CZ3-O 3.43Å; W572-G576 VanDerWaalsContact O-CA 3.23Å; W572-G576 WeakPolarHBondContact O-CA 3.37Å; W572-G576 PolarHBondContact O-N 3.36Å; G576-R603 PolarHBondContact O-NH1 2.95Å; G576-R603 VanDerWaalsContact O-NH1 3.15Å
577	Y	86.3	Confident	79.9	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.02	26%	0.256	C	S	.	.			trans	-89	130.5	-176.4	176.3	-81.3	0	0	0	110.4	I321 S564 A571 W572 G575 N579 W583 L584 R588	I321-Y577 HydrophobicContact CB-CD2 4.36Å; I321-Y577 HydrophobicContact CB-CG 4.29Å; I321-Y577 HydrophobicContact CG2-CD1 3.78Å; I321-Y577 HydrophobicContact CG2-CD2 4.13Å; I321-Y577 HydrophobicContact CG2-CE1 4.42Å; I321-Y577 HydrophobicContact CG2-CG 3.63Å; S564-Y577 VanDerWaalsContact OG-CE1 3.31Å; S564-Y577 WeakPolarHBondContact OG-CE1 3.4Å; A571-Y577 HydrophobicContact CB-CD1 4.09Å; A571-Y577 PolarHBondContact O-N 2.87Å; W572-Y577 WeakPolarHBondContact CA-O 3.17Å; W572-Y577 PolarHBondContact N-O 3.29Å; G575-Y577 PolarHBondContact O-N 2.86Å; Y577-N579 VanDerWaalsContact CE1-OD1 3.27Å; Y577-N579 WeakPolarHBondContact CE1-OD1 3.47Å; Y577-N579 PolarHBondContact OH-OD1 3.06Å; Y577-W583 HydrophobicContact CD2-CH2 4.49Å; Y577-L584 HydrophobicContact CD2-CD1 4.37Å; Y577-L584 HydrophobicContact CD2-CD2 3.98Å; Y577-L584 HydrophobicContact CE2-CD1 3.69Å; Y577-L584 HydrophobicContact CE2-CD2 3.5Å; Y577-L584 HydrophobicContact CE2-CG 4.28Å; Y577-R588 WeakPolarHBondContact CE2-O 3.31Å; Y577-R588 VanDerWaalsContact CZ-O 3.29Å; Y577-R588 PolarHBondContact OH-O 2.93Å
578	S	82.4	Confident	79.7	Confident	10 Å²	10	50.7 Å²	50.7	7%	0.07	27%	0.273	C	S	.	.			trans	-143.1	139.7	172.8	-178.4	0	0	0	0	108.3	D580 S581 L584 K633	S578-D580 PolarHBondContact O-N 2.9Å; S578-S581 WeakPolarHBondContact O-CB 3.44Å; S578-S581 PolarHBondContact O-N 2.9Å; S578-S581 PolarHBondContact O-OG 2.75Å; S578-L584 WeakPolarHBondContact O-CD1 3.22Å; S578-K633 WeakPolarHBondContact OG-CE 3.38Å; S578-K633 PolarHBondContact OG-NZ 3.38Å
579	N	72.8	Confident	79.7	Confident	62 Å²	62	47.7 Å²	47.7	33%	0.332	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.8	-177.9	-69.9	-5.9	0	0	0	114	Y577	Y577-N579 VanDerWaalsContact CE1-OD1 3.27Å; Y577-N579 WeakPolarHBondContact CE1-OD1 3.47Å; Y577-N579 PolarHBondContact OH-OD1 3.06Å
580	D	71.5	Confident	80	Confident	105 Å²	105	43.4 Å²	43.4	56%	0.561	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.8	-178.3	-47.8	-40.6	0	0	0	113.9	S578 S582 Q636	S578-D580 PolarHBondContact O-N 2.9Å; D580-S582 PolarHBondContact O-N 3.37Å; D580-Q636 PolarHBondContact OD2-NE2 3.23Å
581	S	70.8	Confident	80.3	Confident	26 Å²	26	41.8 Å²	41.8	18%	0.182	22%	0.218	C	C	.	.			trans	-68.7	126.3	-176.2	-71.4	0	0	0	0	111.5	S578 W583 L584	S578-S581 WeakPolarHBondContact O-CB 3.44Å; S578-S581 PolarHBondContact O-N 2.9Å; S578-S581 PolarHBondContact O-OG 2.75Å; S581-W583 VanDerWaalsContact C-N 3.32Å; S581-W583 PolarHBondContact O-N 3.22Å; S581-L584 WeakPolarHBondContact O-CB 3.5Å; S581-L584 WeakPolarHBondContact O-CG 3.49Å; S581-L584 PolarHBondContact O-N 3.32Å; S581-L584 VanDerWaalsContact O-N 3.14Å
582	S	68.4	Low	80.5	Confident	123 Å²	123	41.8 Å²	41.8	86%	0.86	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.8	-173.4	59.9	0	0	0	0	115.6	D580	D580-S582 PolarHBondContact O-N 3.37Å
583	W	69.3	Low	80.9	Confident	49 Å²	49	40 Å²	40	19%	0.186	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.4	177.8	57.2	-95.9	0	0	0	112.6	Y577 S581 N585 L604	Y577-W583 HydrophobicContact CD2-CH2 4.49Å; S581-W583 VanDerWaalsContact C-N 3.32Å; S581-W583 PolarHBondContact O-N 3.22Å; W583-N585 PolarHBondContact O-N 2.9Å; W583-L604 WeakPolarHBondContact CZ3-O 3.41Å
584	L	69.7	Low	81.3	Confident	18 Å²	18	35.9 Å²	35.9	9%	0.094	19%	0.192	C	C	.	.			trans	-67.4	121.8	169.3	-66.3	178.3	0	0	0	108.4	Y577 S578 S581 R588 W589	Y577-L584 HydrophobicContact CD2-CD1 4.37Å; Y577-L584 HydrophobicContact CD2-CD2 3.98Å; Y577-L584 HydrophobicContact CE2-CD1 3.69Å; Y577-L584 HydrophobicContact CE2-CD2 3.5Å; Y577-L584 HydrophobicContact CE2-CG 4.28Å; S578-L584 WeakPolarHBondContact O-CD1 3.22Å; S581-L584 WeakPolarHBondContact O-CB 3.5Å; S581-L584 WeakPolarHBondContact O-CG 3.49Å; S581-L584 PolarHBondContact O-N 3.32Å; S581-L584 VanDerWaalsContact O-N 3.14Å; L584-R588 HydrophobicContact CD1-CB 4.44Å; L584-W589 VanDerWaalsContact CD2-O 3.23Å; L584-W589 WeakPolarHBondContact CD2-O 3.36Å
585	N	70.3	Confident	81.6	Confident	41 Å²	41	34.5 Å²	34.5	22%	0.219	19%	0.185	C	C	.	.			trans	-67.2	-174.4	170.2	61.9	10.9	0	0	0	110.5	W583 Y587 R588 A607 V608	W583-N585 PolarHBondContact O-N 2.9Å; N585-Y587 WeakPolarHBondContact ND2-CD2 3.21Å; N585-Y587 PolarHBondContact O-N 3.5Å; N585-Y587 VanDerWaalsContact O-N 3.11Å; N585-Y587 WeakPolarHBondContact OD1-CB 3.4Å; N585-Y587 PolarHBondContact OD1-N 3.25Å; N585-Y587 VanDerWaalsContact OD1-N 3.16Å; N585-R588 PolarHBondContact O-N 2.81Å; N585-R588 PolarHBondContact OD1-N 2.77Å; N585-A607 HydrophobicContact CB-CB 3.84Å; N585-V608 PolarHBondContact ND2-O 3.05Å
586	S	69.2	Low	81.8	Confident	72 Å²	72	37.4 Å²	37.4	50%	0.503	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.8	179.5	68	0	0	0	0	112.2	H520 R588	H520-S586 VanDerWaalsContact CE1-CA 3.47Å; H520-S586 WeakPolarHBondContact CE1-CA 3.48Å; H520-S586 WeakPolarHBondContact CE1-CB 3.49Å; H520-S586 PolarHBondContact CE1-O 2.02Å; H520-S586 PolarHBondContact CE1-OG 3.25Å; H520-S586 WeakPolarHBondContact ND1-CB 3.37Å; H520-S586 PolarHBondContact ND1-OG 2.82Å; H520-S586 VanDerWaalsContact ND1-OG 3.14Å; H520-S586 PolarHBondContact NE2-O 3.5Å; H520-S586 PolarHBondContact NE2-OG 3.13Å; S586-R588 VanDerWaalsContact C-N 3.29Å; S586-R588 PolarHBondContact O-N 2.91Å
587	Y	73.9	Confident	81.9	Confident	51 Å²	51	43.2 Å²	43.2	20%	0.2	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.4	178.5	-52.4	-90.1	0	0	0	114.1	L333 H520 D530 N585 W589	L333-Y587 HydrophobicContact CD2-CD1 3.89Å; L333-Y587 HydrophobicContact CD2-CE1 3.39Å; H520-Y587 HydrophobicContact CB-CE1 4.35Å; H520-Y587 AromaticContact CD2-CD1 3.02Å; H520-Y587 WeakPolarHBondContact CD2-CD1 3.48Å; H520-Y587 AromaticContact CD2-CE1 3.14Å; H520-Y587 WeakPolarHBondContact CD2-CE1 3.46Å; H520-Y587 AromaticContact CD2-CG 3.65Å; H520-Y587 AromaticContact CD2-CZ 3.86Å; H520-Y587 AromaticContact CG-CE1 3.73Å; H520-Y587 WeakPolarHBondContact NE2-CA 3.44Å; H520-Y587 AromaticContact NE2-CD1 3.51Å; H520-Y587 AromaticContact NE2-CE1 3.98Å; H520-Y587 AromaticContact NE2-CG 3.65Å; H520-Y587 PolarHBondContact NE2-N 3.24Å; D530-Y587 PolarHBondContact OD2-OH 2.76Å; N585-Y587 WeakPolarHBondContact ND2-CD2 3.21Å; N585-Y587 PolarHBondContact O-N 3.5Å; N585-Y587 VanDerWaalsContact O-N 3.11Å; N585-Y587 WeakPolarHBondContact OD1-CB 3.4Å; N585-Y587 PolarHBondContact OD1-N 3.25Å; N585-Y587 VanDerWaalsContact OD1-N 3.16Å; Y587-W589 VanDerWaalsContact C-N 3.29Å; Y587-W589 HydrophobicContact CD1-CH2 4.01Å; Y587-W589 HydrophobicContact CD1-CZ2 4.17Å; Y587-W589 HydrophobicContact CD1-CZ3 4.36Å; Y587-W589 HydrophobicContact CG-CH2 4.45Å; Y587-W589 HydrophobicContact CG-CZ3 4.44Å; Y587-W589 PolarHBondContact O-N 3.41Å; Y587-W589 PolarHBondContact O-NE1 3.46Å
588	R	84.3	Confident	82	Confident	134 Å²	134	47.3 Å²	47.3	51%	0.506	25%	0.248	S	C	.	.			trans	56.1	40.6	-174.3	-53.3	-174.9	-176.1	-175.8	-0.1	113.1	Y577 L584 N585 S586	Y577-R588 WeakPolarHBondContact CE2-O 3.31Å; Y577-R588 VanDerWaalsContact CZ-O 3.29Å; Y577-R588 PolarHBondContact OH-O 2.93Å; L584-R588 HydrophobicContact CD1-CB 4.44Å; N585-R588 PolarHBondContact O-N 2.81Å; N585-R588 PolarHBondContact OD1-N 2.77Å; S586-R588 VanDerWaalsContact C-N 3.29Å; S586-R588 PolarHBondContact O-N 2.91Å
589	W	89	Confident	82.3	Confident	11 Å²	11	55.1 Å²	55.1	4%	0.042	28%	0.284	C	S	.	.			trans	-102.2	139.9	173.2	-58	-18.6	0	0	0	111	L320 I321 M325 L333 P334 L584 Y587 V608	L320-W589 HydrophobicContact CD1-CB 4.27Å; I321-W589 WeakPolarHBondContact O-CA 3.27Å; M325-W589 HydrophobicContact CE-CD2 4Å; M325-W589 HydrophobicContact CE-CG 3.74Å; L333-W589 HydrophobicContact CB-CH2 3.91Å; L333-W589 HydrophobicContact CD2-CH2 3.7Å; L333-W589 HydrophobicContact CD2-CZ3 4.23Å; L333-W589 HydrophobicContact CG-CH2 3.66Å; L333-W589 HydrophobicContact CG-CZ3 4.12Å; P334-W589 HydrophobicContact CB-CD2 4.29Å; P334-W589 HydrophobicContact CB-CE3 4.29Å; P334-W589 HydrophobicContact CB-CH2 3.61Å; P334-W589 HydrophobicContact CB-CZ2 3.59Å; P334-W589 HydrophobicContact CB-CZ3 3.96Å; P334-W589 VanDerWaalsContact CD-CZ2 3.48Å; P334-W589 HydrophobicContact CG-CH2 3.76Å; P334-W589 HydrophobicContact CG-CZ2 3.45Å; P334-W589 VanDerWaalsContact CG-CZ2 3.45Å; L584-W589 VanDerWaalsContact CD2-O 3.23Å; L584-W589 WeakPolarHBondContact CD2-O 3.36Å; Y587-W589 VanDerWaalsContact C-N 3.29Å; Y587-W589 HydrophobicContact CD1-CH2 4.01Å; Y587-W589 HydrophobicContact CD1-CZ2 4.17Å; Y587-W589 HydrophobicContact CD1-CZ3 4.36Å; Y587-W589 HydrophobicContact CG-CH2 4.45Å; Y587-W589 HydrophobicContact CG-CZ3 4.44Å; Y587-W589 PolarHBondContact O-N 3.41Å; Y587-W589 PolarHBondContact O-NE1 3.46Å; W589-V608 HydrophobicContact CB-CB 4Å; W589-V608 HydrophobicContact CB-CG1 4.34Å; W589-V608 HydrophobicContact CB-CG2 4.03Å; W589-V608 HydrophobicContact CE3-CG1 4.22Å; W589-V608 VanDerWaalsContact O-CG2 3.26Å; W589-V608 WeakPolarHBondContact O-CG2 3.16Å
590	G	91.5	Very high	83.2	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	166.9	166.8	0	0	0	0	0	110.5	I321	I321-G590 PolarHBondContact N-O 3.15Å; I321-G590 PolarHBondContact O-N 2.99Å
591	A	94.2	Very high	84.2	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.8	175	0	0	0	0	0	110.9	L318 L319 L604 V608 L613	L318-A591 HydrophobicContact CD1-CB 4.47Å; L319-A591 VanDerWaalsContact O-CA 3.32Å; L319-A591 WeakPolarHBondContact O-CA 3.3Å; A591-L604 HydrophobicContact CB-CB 4.04Å; A591-L604 HydrophobicContact CB-CD2 4.07Å; A591-L604 WeakPolarHBondContact O-CB 3.44Å; A591-L604 PolarHBondContact O-N 3.03Å; A591-V608 HydrophobicContact CB-CG2 4.27Å; A591-L613 HydrophobicContact CB-CD2 3.54Å
592	A	95.7	Very high	85.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.2	173.1	0	0	0	0	0	110.7	L319 I321 V601 F602	L319-A592 PolarHBondContact N-O 3.08Å; L319-A592 PolarHBondContact O-N 3.48Å; I321-A592 HydrophobicContact CD1-CB 4.39Å; A592-V601 HydrophobicContact CB-CG1 4.31Å; A592-F602 CarbonylContact C-O 3.57Å; A592-F602 WeakPolarHBondContact CA-O 3.34Å; A592-F602 WeakPolarHBondContact CB-O 3.48Å
593	I	96.6	Very high	86.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.3	166.1	-68.5	164.5	0	0	0	107.8	I317 L318 L557 V601 F602 F616 F620 L625	I317-I593 CarbonylContact O-C 3.55Å; I317-I593 VanDerWaalsContact O-CA 3.27Å; I317-I593 WeakPolarHBondContact O-CA 3.38Å; L318-I593 HydrophobicContact CD1-CD1 4.36Å; L318-I593 HydrophobicContact CD1-CG1 3.69Å; L557-I593 HydrophobicContact CD1-CD1 4.34Å; L557-I593 HydrophobicContact CD2-CG1 4.5Å; L557-I593 HydrophobicContact CD2-CG2 3.8Å; I593-V601 WeakPolarHBondContact O-CA 3.41Å; I593-F602 HydrophobicContact CB-CB 4.33Å; I593-F602 HydrophobicContact CB-CD2 4.29Å; I593-F602 HydrophobicContact CG2-CD2 4.24Å; I593-F602 PolarHBondContact N-O 2.77Å; I593-F602 PolarHBondContact O-N 2.92Å; I593-F616 HydrophobicContact CB-CE1 4.23Å; I593-F616 HydrophobicContact CB-CZ 4.22Å; I593-F616 HydrophobicContact CD1-CD1 3.74Å; I593-F616 HydrophobicContact CD1-CE1 3.58Å; I593-F616 HydrophobicContact CD1-CE2 4.44Å; I593-F616 HydrophobicContact CD1-CG 4.25Å; I593-F616 HydrophobicContact CD1-CZ 3.93Å; I593-F616 HydrophobicContact CG1-CD1 4.08Å; I593-F616 HydrophobicContact CG1-CE1 3.5Å; I593-F616 VanDerWaalsContact CG1-CE1 3.5Å; I593-F616 HydrophobicContact CG1-CZ 3.95Å; I593-F620 HydrophobicContact CB-CD2 4.43Å; I593-F620 HydrophobicContact CD1-CB 3.66Å; I593-F620 HydrophobicContact CD1-CD2 4.27Å; I593-F620 HydrophobicContact CD1-CG 3.93Å; I593-F620 HydrophobicContact CG2-CD2 3.6Å; I593-F620 HydrophobicContact CG2-CE1 4.44Å; I593-F620 HydrophobicContact CG2-CE2 3.48Å; I593-F620 VanDerWaalsContact CG2-CE2 3.48Å; I593-F620 HydrophobicContact CG2-CG 4.12Å; I593-F620 HydrophobicContact CG2-CZ 3.92Å; I593-L625 HydrophobicContact CD1-CD1 4.42Å
594	I	94.1	Very high	87.7	Confident	11 Å²	11	44.6 Å²	44.6	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.4	-179.3	-57	162.2	0	0	0	107.6	W308 L312 P316 I317 L319 I574 V601	W308-I594 HydrophobicContact CZ3-CD1 4.39Å; L312-I594 HydrophobicContact CD2-CB 4.35Å; L312-I594 HydrophobicContact CD2-CD1 4.42Å; L312-I594 HydrophobicContact CD2-CG2 3.9Å; P316-I594 VanDerWaalsContact CA-O 3.28Å; P316-I594 WeakPolarHBondContact CA-O 3.46Å; I317-I594 HydrophobicContact CD1-CD1 4.07Å; I317-I594 HydrophobicContact CG1-CB 3.92Å; I317-I594 HydrophobicContact CG1-CD1 4.12Å; I317-I594 HydrophobicContact CG1-CG1 4.43Å; I317-I594 PolarHBondContact N-O 2.83Å; I317-I594 PolarHBondContact O-N 2.78Å; L319-I594 HydrophobicContact CB-CD1 4.3Å; L319-I594 HydrophobicContact CD2-CD1 3.86Å; I574-I594 HydrophobicContact CG2-CD1 3.29Å; I574-I594 HydrophobicContact CG2-CG1 3.99Å; I594-V601 HydrophobicContact CG1-CG1 4.16Å; I594-V601 HydrophobicContact CG1-CG2 4.49Å; I594-V601 HydrophobicContact CG2-CG2 4.37Å
595	D	93.2	Very high	88.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	91.9	173.3	179.5	9.2	0	0	0	109.9	P316 R555 Q597 N598 E599 N600 F620	P316-D595 HydrophobicContact CB-CB 4.23Å; P316-D595 HydrophobicContact CG-CB 4.36Å; R555-D595 IonicContact CZ-OD2 3.87Å; R555-D595 IonicContact NE-OD2 2.96Å; R555-D595 IonicContact NH2-OD2 3.07Å; R555-D595 PolarHBondContact NH2-OD2 2.85Å; D595-Q597 VanDerWaalsContact C-N 3.28Å; D595-Q597 PolarHBondContact O-N 2.86Å; D595-Q597 PolarHBondContact OD1-N 3.42Å; D595-Q597 VanDerWaalsContact OD1-N 3.15Å; D595-N598 PolarHBondContact O-N 2.8Å; D595-N598 PolarHBondContact OD1-N 3.34Å; D595-N598 WeakPolarHBondContact OD2-CB 3.29Å; D595-N598 PolarHBondContact OD2-ND2 2.89Å; D595-E599 PolarHBondContact O-N 2.95Å; D595-E599 VanDerWaalsContact O-N 3.07Å; D595-N600 CarbonylContact C-O 3.49Å; D595-N600 PolarHBondContact N-O 2.83Å; D595-N600 PolarHBondContact O-N 3.15Å; D595-F620 HydrophobicContact CB-CE2 4.39Å
596	M	89.5	Confident	89.5	Confident	63 Å²	63	51.5 Å²	51.5	31%	0.31	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22.9	-177.2	-166.6	166.9	70.8	0	0	113.1	L312 R313 N598 E599	L312-M596 HydrophobicContact CB-CB 4.29Å; L312-M596 HydrophobicContact CB-CE 3.48Å; L312-M596 VanDerWaalsContact CB-CE 3.48Å; L312-M596 HydrophobicContact CB-SD 3.61Å; L312-M596 HydrophobicContact CD1-SD 4Å; L312-M596 HydrophobicContact CG-SD 4.5Å; L312-M596 WeakPolarHBondContact O-CE 3.12Å; R313-M596 HydrophobicContact CB-CE 3.84Å; R313-M596 HydrophobicContact CG-CE 3.12Å; M596-N598 VanDerWaalsContact C-N 3.28Å; M596-N598 PolarHBondContact O-N 2.87Å; M596-E599 PolarHBondContact O-N 3.38Å
597	Q	87.7	Confident	90.4	Very high	123 Å²	123	49.7 Å²	49.7	58%	0.575	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-34.5	177.8	-65.4	-179.7	-0.6	0	0	111.2	K314 D595	K314-Q597 PolarHBondContact O-NE2 3.19Å; D595-Q597 VanDerWaalsContact C-N 3.28Å; D595-Q597 PolarHBondContact O-N 2.86Å; D595-Q597 PolarHBondContact OD1-N 3.42Å; D595-Q597 VanDerWaalsContact OD1-N 3.15Å
598	N	88.9	Confident	91.1	Very high	91 Å²	91	47.5 Å²	47.5	49%	0.487	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9.7	175.2	-65.2	-52.2	0	0	0	113.3	D595 M596 N600	D595-N598 PolarHBondContact O-N 2.8Å; D595-N598 PolarHBondContact OD1-N 3.34Å; D595-N598 WeakPolarHBondContact OD2-CB 3.29Å; D595-N598 PolarHBondContact OD2-ND2 2.89Å; M596-N598 VanDerWaalsContact C-N 3.28Å; M596-N598 PolarHBondContact O-N 2.87Å; N598-N600 VanDerWaalsContact O-CG 3.3Å; N598-N600 PolarHBondContact O-N 3.36Å; N598-N600 VanDerWaalsContact O-N 3.09Å; N598-N600 PolarHBondContact O-ND2 3.15Å; N598-N600 VanDerWaalsContact O-ND2 3.13Å
599	E	88	Confident	91.3	Very high	174 Å²	174	43.9 Å²	43.9	81%	0.813	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	33.2	-177.1	-58	-174.9	164.5	0	0	114.1	D595 M596	D595-E599 PolarHBondContact O-N 2.95Å; D595-E599 VanDerWaalsContact O-N 3.07Å; M596-E599 PolarHBondContact O-N 3.38Å
600	N	90.6	Very high	91.3	Very high	53 Å²	53	44.7 Å²	44.7	28%	0.283	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.1	-176.5	-74.5	-46.4	0	0	0	110.9	D595 N598 F602	D595-N600 CarbonylContact C-O 3.49Å; D595-N600 PolarHBondContact N-O 2.83Å; D595-N600 PolarHBondContact O-N 3.15Å; N598-N600 VanDerWaalsContact O-CG 3.3Å; N598-N600 PolarHBondContact O-N 3.36Å; N598-N600 VanDerWaalsContact O-N 3.09Å; N598-N600 PolarHBondContact O-ND2 3.15Å; N598-N600 VanDerWaalsContact O-ND2 3.13Å; N600-F602 HydrophobicContact CB-CE2 3.87Å; N600-F602 HydrophobicContact CB-CZ 3.87Å
601	V	93.3	Very high	91.2	Very high	35 Å²	35	49.2 Å²	49.2	21%	0.212	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.8	166.5	-174.8	0	0	0	0	108.4	I574 A592 I593 I594 P627 W628	I574-V601 WeakPolarHBondContact O-CG1 3.32Å; A592-V601 HydrophobicContact CB-CG1 4.31Å; I593-V601 WeakPolarHBondContact O-CA 3.41Å; I594-V601 HydrophobicContact CG1-CG1 4.16Å; I594-V601 HydrophobicContact CG1-CG2 4.49Å; I594-V601 HydrophobicContact CG2-CG2 4.37Å; V601-P627 CarbonylContact O-C 3.4Å; V601-P627 WeakPolarHBondContact O-CA 3.06Å; V601-W628 HydrophobicContact CG1-CE3 4.5Å; V601-W628 PolarHBondContact O-N 3.11Å
602	F	95.6	Very high	91.2	Very high	17 Å²	17	49.3 Å²	49.3	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.8	174.4	-53.8	-81.3	0	0	0	108.4	A592 I593 N600 F616 F620 L625 P627	A592-F602 CarbonylContact C-O 3.57Å; A592-F602 WeakPolarHBondContact CA-O 3.34Å; A592-F602 WeakPolarHBondContact CB-O 3.48Å; I593-F602 HydrophobicContact CB-CB 4.33Å; I593-F602 HydrophobicContact CB-CD2 4.29Å; I593-F602 HydrophobicContact CG2-CD2 4.24Å; I593-F602 PolarHBondContact N-O 2.77Å; I593-F602 PolarHBondContact O-N 2.92Å; N600-F602 HydrophobicContact CB-CE2 3.87Å; N600-F602 HydrophobicContact CB-CZ 3.87Å; F602-F616 HydrophobicContact CB-CE2 4.02Å; F602-F616 HydrophobicContact CB-CZ 3.91Å; F602-F620 AromaticContact CD2-CD2 3.92Å; F602-F620 HydrophobicContact CD2-CD2 3.92Å; F602-F620 HydrophobicContact CD2-CE2 4.13Å; F602-F620 AromaticContact CE2-CD2 3.86Å; F602-F620 HydrophobicContact CE2-CD2 3.86Å; F602-F620 AromaticContact CE2-CE2 3.83Å; F602-F620 HydrophobicContact CE2-CE2 3.83Å; F602-L625 HydrophobicContact CB-CB 4.48Å; F602-L625 HydrophobicContact CB-CD1 3.92Å; F602-L625 HydrophobicContact CD1-CB 3.41Å; F602-L625 VanDerWaalsContact CD1-CB 3.41Å; F602-L625 HydrophobicContact CD1-CD1 4.19Å; F602-L625 HydrophobicContact CD1-CG 4.46Å; F602-L625 HydrophobicContact CE1-CB 3.77Å; F602-L625 HydrophobicContact CG-CB 4.04Å; F602-L625 HydrophobicContact CG-CD1 3.96Å; F602-P627 HydrophobicContact CE1-CB 4.4Å; F602-P627 HydrophobicContact CE1-CG 3.9Å; F602-P627 HydrophobicContact CZ-CG 4.48Å
603	R	93.7	Very high	91.1	Very high	30 Å²	30	49.3 Å²	49.3	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.2	179.1	-175.8	174.5	73.7	168	2.8	109.8	G575 G576 E605 W628	G575-R603 WeakPolarHBondContact O-CD 3.09Å; G575-R603 WeakPolarHBondContact O-CG 3.07Å; G576-R603 PolarHBondContact O-NH1 2.95Å; G576-R603 VanDerWaalsContact O-NH1 3.15Å; R603-E605 IonicContact CZ-OE1 3.96Å; R603-E605 IonicContact CZ-OE2 3.68Å; R603-E605 IonicContact NE-OE1 3.34Å; R603-E605 PolarHBondContact NE-OE1 2.95Å; R603-E605 IonicContact NE-OE2 2.74Å; R603-E605 PolarHBondContact NE-OE2 2.97Å; R603-E605 IonicContact NH2-OE1 3.51Å; R603-E605 PolarHBondContact NH2-OE1 3.26Å; R603-E605 IonicContact NH2-OE2 3.77Å; R603-E605 PolarHBondContact NH2-OE2 3.14Å; R603-W628 HydrophobicContact CB-CB 3.78Å; R603-W628 HydrophobicContact CB-CD2 4.42Å; R603-W628 HydrophobicContact CB-CG 3.75Å
604	L	93.4	Very high	91	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	24%	0.244	C	C	.	.			trans	-77.9	118.4	167.8	-175.6	69.2	0	0	0	109	W583 A591 E606 V608 L613 F616	W583-L604 WeakPolarHBondContact CZ3-O 3.41Å; A591-L604 HydrophobicContact CB-CB 4.04Å; A591-L604 HydrophobicContact CB-CD2 4.07Å; A591-L604 WeakPolarHBondContact O-CB 3.44Å; A591-L604 PolarHBondContact O-N 3.03Å; L604-E606 HydrophobicContact CD1-CB 4.28Å; L604-E606 HydrophobicContact CG-CB 4.42Å; L604-V608 HydrophobicContact CD2-CG2 3.84Å; L604-L613 HydrophobicContact CD2-CD2 3.98Å; L604-F616 HydrophobicContact CB-CD1 4.29Å; L604-F616 HydrophobicContact CB-CE1 4.21Å; L604-F616 HydrophobicContact CB-CZ 4.4Å; L604-F616 HydrophobicContact CD1-CB 3.86Å; L604-F616 HydrophobicContact CD1-CD1 4.35Å; L604-F616 HydrophobicContact CD1-CD2 4.14Å; L604-F616 HydrophobicContact CD1-CG 3.9Å
605	E	88	Confident	91.1	Very high	96 Å²	96	53.2 Å²	53.2	45%	0.449	26%	0.262	S	S	.	.			trans	-92	-2.4	178.5	-59.1	-67.6	166	0	0	112.9	R603	R603-E605 IonicContact CZ-OE1 3.96Å; R603-E605 IonicContact CZ-OE2 3.68Å; R603-E605 IonicContact NE-OE1 3.34Å; R603-E605 PolarHBondContact NE-OE1 2.95Å; R603-E605 IonicContact NE-OE2 2.74Å; R603-E605 PolarHBondContact NE-OE2 2.97Å; R603-E605 IonicContact NH2-OE1 3.51Å; R603-E605 PolarHBondContact NH2-OE1 3.26Å; R603-E605 IonicContact NH2-OE2 3.77Å; R603-E605 PolarHBondContact NH2-OE2 3.14Å
606	E	88.3	Confident	91.3	Very high	109 Å²	109	53.6 Å²	53.6	51%	0.509	26%	0.264	S	S	.	.	S	Bend	trans	-102.8	160.6	179.1	-66.3	176.4	-155.1	0	0	111.1	L604 V608	L604-E606 HydrophobicContact CD1-CB 4.28Å; L604-E606 HydrophobicContact CG-CB 4.42Å; E606-V608 PolarHBondContact O-N 3.41Å
607	A	87.8	Confident	91.6	Very high	33 Å²	33	50.6 Å²	50.6	27%	0.273	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-56.1	133	170.9	0	0	0	0	0	110.6	N585 N609 S612	N585-A607 HydrophobicContact CB-CB 3.84Å; A607-N609 PolarHBondContact O-N 3.25Å; A607-N609 PolarHBondContact O-ND2 2.98Å; A607-S612 WeakPolarHBondContact O-CB 3.42Å; A607-S612 PolarHBondContact O-OG 2.98Å
608	V	89.9	Confident	92	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-67.6	120.5	178.8	171.2	0	0	0	0	110.3	L320 L337 N585 W589 A591 L604 E606 L613	L320-V608 HydrophobicContact CD1-CG1 3.79Å; L320-V608 HydrophobicContact CD1-CG2 4.25Å; L337-V608 HydrophobicContact CD2-CG1 3.88Å; N585-V608 PolarHBondContact ND2-O 3.05Å; W589-V608 HydrophobicContact CB-CB 4Å; W589-V608 HydrophobicContact CB-CG1 4.34Å; W589-V608 HydrophobicContact CB-CG2 4.03Å; W589-V608 HydrophobicContact CE3-CG1 4.22Å; W589-V608 VanDerWaalsContact O-CG2 3.26Å; W589-V608 WeakPolarHBondContact O-CG2 3.16Å; A591-V608 HydrophobicContact CB-CG2 4.27Å; L604-V608 HydrophobicContact CD2-CG2 3.84Å; E606-V608 PolarHBondContact O-N 3.41Å; V608-L613 HydrophobicContact CG1-CD1 3.74Å; V608-L613 HydrophobicContact CG1-CG 4.2Å
609	N	88.2	Confident	92.4	Very high	58 Å²	58	41.9 Å²	41.9	31%	0.31	21%	0.211	S	C	.	.	S	Bend	trans	-153.8	175.2	167.8	61.8	67.8	0	0	0	109.1	A607 Q611 S612 L613	A607-N609 PolarHBondContact O-N 3.25Å; A607-N609 PolarHBondContact O-ND2 2.98Å; N609-Q611 VanDerWaalsContact C-N 3.3Å; N609-Q611 PolarHBondContact O-N 3.48Å; N609-Q611 WeakPolarHBondContact OD1-CA 3.39Å; N609-Q611 WeakPolarHBondContact OD1-CB 3.43Å; N609-Q611 PolarHBondContact OD1-N 2.87Å; N609-S612 PolarHBondContact N-OG 2.99Å; N609-S612 PolarHBondContact ND2-OG 3.5Å; N609-S612 PolarHBondContact O-OG 2.94Å; N609-S612 PolarHBondContact OD1-N 2.94Å; N609-S612 PolarHBondContact OD1-OG 2.97Å; N609-L613 WeakPolarHBondContact O-CB 3.34Å; N609-L613 WeakPolarHBondContact O-CG 3.47Å; N609-L613 PolarHBondContact O-N 3.41Å
610	Y	89.1	Confident	92.7	Very high	28 Å²	28	33.8 Å²	33.8	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-41.2	-178.6	-179.5	-91.2	0	0	0	112.7	L337 L340 L341 S344 L541 S544 S614	L337-Y610 HydrophobicContact CD1-CD2 4.23Å; L340-Y610 HydrophobicContact CB-CD2 4.13Å; L340-Y610 HydrophobicContact CB-CE2 4.12Å; L341-Y610 HydrophobicContact CD2-CD2 3.68Å; L341-Y610 HydrophobicContact CD2-CE2 3.62Å; L341-Y610 HydrophobicContact CD2-CG 4.42Å; L341-Y610 HydrophobicContact CG-CD2 3.86Å; L341-Y610 HydrophobicContact CG-CE2 3.96Å; S344-Y610 VanDerWaalsContact CB-OH 3.29Å; S344-Y610 WeakPolarHBondContact CB-OH 3.19Å; S344-Y610 PolarHBondContact OG-OH 3.45Å; L541-Y610 HydrophobicContact CD2-CE1 4.41Å; L541-Y610 HydrophobicContact CD2-CE2 3.67Å; L541-Y610 VanDerWaalsContact CD2-OH 3.24Å; L541-Y610 WeakPolarHBondContact CD2-OH 3.31Å; S544-Y610 WeakPolarHBondContact CB-OH 3.29Å; S544-Y610 PolarHBondContact OG-OH 3.15Å; Y610-S614 WeakPolarHBondContact CE1-OG 3.42Å; Y610-S614 VanDerWaalsContact O-CB 3.28Å; Y610-S614 WeakPolarHBondContact O-CB 3.5Å; Y610-S614 PolarHBondContact O-N 2.93Å; Y610-S614 PolarHBondContact O-OG 3.37Å
611	Q	90.3	Very high	92.9	Very high	96 Å²	96	32.7 Å²	32.7	45%	0.449	17%	0.166	S	C	.	.	H	α-helix	trans	-71	-47.1	-176.6	-175.8	62.6	14.5	0	0	111.9	N609 S614 Q615	N609-Q611 VanDerWaalsContact C-N 3.3Å; N609-Q611 PolarHBondContact O-N 3.48Å; N609-Q611 WeakPolarHBondContact OD1-CA 3.39Å; N609-Q611 WeakPolarHBondContact OD1-CB 3.43Å; N609-Q611 PolarHBondContact OD1-N 2.87Å; Q611-S614 PolarHBondContact O-N 2.79Å; Q611-Q615 WeakPolarHBondContact O-CG 3.47Å; Q611-Q615 PolarHBondContact O-N 2.98Å
612	S	92.6	Very high	93	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-64.6	-40.9	179.2	65.1	0	0	0	0	111.4	A607 N609 Q615 F616	A607-S612 WeakPolarHBondContact O-CB 3.42Å; A607-S612 PolarHBondContact O-OG 2.98Å; N609-S612 PolarHBondContact N-OG 2.99Å; N609-S612 PolarHBondContact ND2-OG 3.5Å; N609-S612 PolarHBondContact O-OG 2.94Å; N609-S612 PolarHBondContact OD1-N 2.94Å; N609-S612 PolarHBondContact OD1-OG 2.97Å; S612-Q615 PolarHBondContact O-N 3.27Å; S612-F616 WeakPolarHBondContact O-CB 3.28Å; S612-F616 PolarHBondContact O-N 3.48Å
613	L	94.6	Very high	92.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-39.7	173.8	-73.2	176.3	0	0	0	112.6	L318 L337 L341 A591 L604 V608 N609 F616 I617	L318-L613 HydrophobicContact CD1-CD2 4.4Å; L337-L613 HydrophobicContact CD2-CD1 3.89Å; L337-L613 HydrophobicContact CG-CD1 4.22Å; L341-L613 HydrophobicContact CD1-CB 3.64Å; L341-L613 HydrophobicContact CD1-CD1 3.36Å; L341-L613 HydrophobicContact CD1-CG 4.11Å; L341-L613 HydrophobicContact CD2-CB 4.01Å; L341-L613 HydrophobicContact CG-CB 4.5Å; A591-L613 HydrophobicContact CB-CD2 3.54Å; L604-L613 HydrophobicContact CD2-CD2 3.98Å; V608-L613 HydrophobicContact CG1-CD1 3.74Å; V608-L613 HydrophobicContact CG1-CG 4.2Å; N609-L613 WeakPolarHBondContact O-CB 3.34Å; N609-L613 WeakPolarHBondContact O-CG 3.47Å; N609-L613 PolarHBondContact O-N 3.41Å; L613-F616 PolarHBondContact O-N 2.04Å; L613-I617 WeakPolarHBondContact O-CD1 3.49Å; L613-I617 VanDerWaalsContact O-CG1 3.26Å; L613-I617 WeakPolarHBondContact O-CG1 3.4Å; L613-I617 PolarHBondContact O-N 3.49Å
614	S	94.9	Very high	92.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-46.2	176.5	-62.3	0	0	0	0	111.4	L341 I546 Y610 Q611 F616 I617 A618	L341-S614 WeakPolarHBondContact CD2-OG 3.45Å; I546-S614 WeakPolarHBondContact CG2-O 3.29Å; Y610-S614 WeakPolarHBondContact CE1-OG 3.42Å; Y610-S614 VanDerWaalsContact O-CB 3.28Å; Y610-S614 WeakPolarHBondContact O-CB 3.5Å; Y610-S614 PolarHBondContact O-N 2.93Å; Y610-S614 PolarHBondContact O-OG 3.37Å; Q611-S614 PolarHBondContact O-N 2.79Å; S614-F616 VanDerWaalsContact C-N 3.32Å; S614-F616 PolarHBondContact O-N 3.41Å; S614-I617 PolarHBondContact O-N 3.14Å; S614-A618 WeakPolarHBondContact O-CB 3.46Å; S614-A618 PolarHBondContact O-N 3.24Å
615	Q	95.6	Very high	92.9	Very high	92 Å²	92	45.2 Å²	45.2	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-39.3	175.8	-72.2	176.9	-9.8	0	0	112	Q611 S612 A618 A619	Q611-Q615 WeakPolarHBondContact O-CG 3.47Å; Q611-Q615 PolarHBondContact O-N 2.98Å; S612-Q615 PolarHBondContact O-N 3.27Å; Q615-A618 PolarHBondContact O-N 3.44Å; Q615-A619 VanDerWaalsContact O-CB 3.27Å; Q615-A619 WeakPolarHBondContact O-CB 3.35Å; Q615-A619 PolarHBondContact O-N 3.34Å
616	F	97	Very high	93	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.044	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-45.4	177	-175.8	-131.5	0	0	0	112.6	L318 I593 F602 L604 S612 L613 S614 A619 F620 L625	L318-F616 HydrophobicContact CD1-CD1 4.11Å; L318-F616 HydrophobicContact CD1-CE1 4.08Å; I593-F616 HydrophobicContact CB-CE1 4.23Å; I593-F616 HydrophobicContact CB-CZ 4.22Å; I593-F616 HydrophobicContact CD1-CD1 3.74Å; I593-F616 HydrophobicContact CD1-CE1 3.58Å; I593-F616 HydrophobicContact CD1-CE2 4.44Å; I593-F616 HydrophobicContact CD1-CG 4.25Å; I593-F616 HydrophobicContact CD1-CZ 3.93Å; I593-F616 HydrophobicContact CG1-CD1 4.08Å; I593-F616 HydrophobicContact CG1-CE1 3.5Å; I593-F616 VanDerWaalsContact CG1-CE1 3.5Å; I593-F616 HydrophobicContact CG1-CZ 3.95Å; F602-F616 HydrophobicContact CB-CE2 4.02Å; F602-F616 HydrophobicContact CB-CZ 3.91Å; L604-F616 HydrophobicContact CB-CD1 4.29Å; L604-F616 HydrophobicContact CB-CE1 4.21Å; L604-F616 HydrophobicContact CB-CZ 4.4Å; L604-F616 HydrophobicContact CD1-CB 3.86Å; L604-F616 HydrophobicContact CD1-CD1 4.35Å; L604-F616 HydrophobicContact CD1-CD2 4.14Å; L604-F616 HydrophobicContact CD1-CG 3.9Å; S612-F616 WeakPolarHBondContact O-CB 3.28Å; S612-F616 PolarHBondContact O-N 3.48Å; L613-F616 PolarHBondContact O-N 2.04Å; S614-F616 VanDerWaalsContact C-N 3.32Å; S614-F616 PolarHBondContact O-N 3.41Å; F616-A619 PolarHBondContact O-N 2.68Å; F616-F620 PolarHBondContact O-N 3.47Å; F616-L625 HydrophobicContact CD2-CD1 3.72Å; F616-L625 HydrophobicContact CD2-CD2 3.73Å; F616-L625 HydrophobicContact CD2-CG 4.4Å; F616-L625 HydrophobicContact CE2-CD1 3.49Å; F616-L625 VanDerWaalsContact CE2-CD1 3.49Å; F616-L625 HydrophobicContact CE2-CD2 3.91Å; F616-L625 HydrophobicContact CE2-CG 4.35Å; F616-L625 HydrophobicContact CZ-CD1 4.3Å
617	I	96.5	Very high	93.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-43.6	175.2	-67.6	163.3	0	0	0	111.1	L318 L341 Y345 I546 L557 F559 L613 S614 F620 H621	L318-I617 HydrophobicContact CD2-CD1 3.97Å; L318-I617 HydrophobicContact CD2-CG1 4.33Å; L341-I617 HydrophobicContact CD2-CD1 4.46Å; Y345-I617 HydrophobicContact CD2-CG2 4.31Å; Y345-I617 HydrophobicContact CE2-CG2 4.16Å; I546-I617 HydrophobicContact CB-CG2 4.37Å; I546-I617 HydrophobicContact CD1-CD1 4.09Å; I546-I617 HydrophobicContact CG2-CB 3.79Å; I546-I617 HydrophobicContact CG2-CG2 3.69Å; L557-I617 HydrophobicContact CD1-CB 4.42Å; L557-I617 HydrophobicContact CD1-CG1 4.13Å; L557-I617 HydrophobicContact CD1-CG2 3.85Å; F559-I617 HydrophobicContact CE1-CD1 4.12Å; F559-I617 HydrophobicContact CZ-CD1 4.23Å; L613-I617 WeakPolarHBondContact O-CD1 3.49Å; L613-I617 VanDerWaalsContact O-CG1 3.26Å; L613-I617 WeakPolarHBondContact O-CG1 3.4Å; L613-I617 PolarHBondContact O-N 3.49Å; S614-I617 PolarHBondContact O-N 3.14Å; I617-F620 WeakPolarHBondContact O-CB 3.26Å; I617-F620 PolarHBondContact O-N 2.89Å; I617-H621 PolarHBondContact O-CD2 3.33Å; I617-H621 VanDerWaalsContact O-CD2 3.26Å; I617-H621 PolarHBondContact O-N 3.45Å; I617-H621 VanDerWaalsContact O-N 3.15Å
618	A	95.8	Very high	93.3	Very high	13 Å²	13	48.6 Å²	48.6	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-42.9	178	0	0	0	0	0	111.8	V545 I546 S614 Q615 F620 H621 N622	V545-A618 HydrophobicContact CB-CB 4.16Å; V545-A618 HydrophobicContact CG2-CB 3.75Å; I546-A618 HydrophobicContact CG2-CB 4.32Å; S614-A618 WeakPolarHBondContact O-CB 3.46Å; S614-A618 PolarHBondContact O-N 3.24Å; Q615-A618 PolarHBondContact O-N 3.44Å; A618-F620 VanDerWaalsContact C-N 3.28Å; A618-F620 PolarHBondContact O-N 3.1Å; A618-H621 PolarHBondContact O-N 3.44Å; A618-N622 WeakPolarHBondContact O-CB 3.44Å; A618-N622 VanDerWaalsContact O-CG 3.28Å; A618-N622 PolarHBondContact O-N 3.07Å; A618-N622 PolarHBondContact O-ND2 2.83Å
619	A	96.7	Very high	93.2	Very high	18 Å²	18	50.9 Å²	50.9	15%	0.149	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-33.7	175.6	0	0	0	0	0	112.6	Q615 F616 N622 S623 T624 L625	Q615-A619 VanDerWaalsContact O-CB 3.27Å; Q615-A619 WeakPolarHBondContact O-CB 3.35Å; Q615-A619 PolarHBondContact O-N 3.34Å; F616-A619 PolarHBondContact O-N 2.68Å; A619-N622 CarbonylContact O-C 3.58Å; A619-S623 PolarHBondContact O-N 3.45Å; A619-S623 VanDerWaalsContact O-N 3.07Å; A619-T624 WeakPolarHBondContact CA-OG1 3.35Å; A619-T624 WeakPolarHBondContact CB-OG1 3.42Å; A619-T624 PolarHBondContact O-N 3.39Å; A619-T624 PolarHBondContact O-OG1 3.47Å; A619-L625 HydrophobicContact CB-CD2 3.53Å; A619-L625 HydrophobicContact CB-CG 3.75Å
620	F	95.8	Very high	93.2	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-49.3	173.2	171.3	-102.3	0	0	0	112.1	P316 R555 L557 I593 D595 F602 F616 I617 A618 N622 S623 L625	P316-F620 HydrophobicContact CB-CE1 4.39Å; P316-F620 HydrophobicContact CB-CZ 3.81Å; P316-F620 HydrophobicContact CG-CZ 4.07Å; R555-F620 VanDerWaalsContact NH2-CE2 3.26Å; L557-F620 HydrophobicContact CD1-CD1 3.99Å; L557-F620 HydrophobicContact CD1-CE1 4.26Å; L557-F620 HydrophobicContact CD2-CD1 4.29Å; L557-F620 HydrophobicContact CD2-CE1 3.85Å; L557-F620 HydrophobicContact CD2-CZ 4.23Å; L557-F620 HydrophobicContact CG-CD1 4.33Å; L557-F620 HydrophobicContact CG-CE1 4.09Å; I593-F620 HydrophobicContact CB-CD2 4.43Å; I593-F620 HydrophobicContact CD1-CB 3.66Å; I593-F620 HydrophobicContact CD1-CD2 4.27Å; I593-F620 HydrophobicContact CD1-CG 3.93Å; I593-F620 HydrophobicContact CG2-CD2 3.6Å; I593-F620 HydrophobicContact CG2-CE1 4.44Å; I593-F620 HydrophobicContact CG2-CE2 3.48Å; I593-F620 VanDerWaalsContact CG2-CE2 3.48Å; I593-F620 HydrophobicContact CG2-CG 4.12Å; I593-F620 HydrophobicContact CG2-CZ 3.92Å; D595-F620 HydrophobicContact CB-CE2 4.39Å; F602-F620 AromaticContact CD2-CD2 3.92Å; F602-F620 HydrophobicContact CD2-CD2 3.92Å; F602-F620 HydrophobicContact CD2-CE2 4.13Å; F602-F620 AromaticContact CE2-CD2 3.86Å; F602-F620 HydrophobicContact CE2-CD2 3.86Å; F602-F620 AromaticContact CE2-CE2 3.83Å; F602-F620 HydrophobicContact CE2-CE2 3.83Å; F616-F620 PolarHBondContact O-N 3.47Å; I617-F620 WeakPolarHBondContact O-CB 3.26Å; I617-F620 PolarHBondContact O-N 2.89Å; A618-F620 VanDerWaalsContact C-N 3.28Å; A618-F620 PolarHBondContact O-N 3.1Å; F620-N622 VanDerWaalsContact C-N 3.31Å; F620-N622 PolarHBondContact O-N 3.02Å; F620-S623 PolarHBondContact O-N 3.29Å; F620-L625 HydrophobicContact CB-CD1 3.62Å; F620-L625 HydrophobicContact CD2-CD1 4.45Å
621	H	94.6	Very high	92.9	Very high	30 Å²	30	54.8 Å²	54.8	14%	0.139	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-36.1	178	-74.6	-62	0	0	0	112.2	Y345 L553 R555 I617 A618 S623	Y345-H621 AromaticContact CE2-NE2 3.61Å; Y345-H621 AromaticContact CZ-NE2 3.71Å; Y345-H621 PolarHBondContact OH-CE1 3.09Å; Y345-H621 PolarHBondContact OH-NE2 3.17Å; L553-H621 HydrophobicContact CD1-CB 4.14Å; L553-H621 WeakPolarHBondContact CD1-ND1 3.31Å; R555-H621 PolarHBondContact O-CE1 3.43Å; I617-H621 PolarHBondContact O-CD2 3.33Å; I617-H621 VanDerWaalsContact O-CD2 3.26Å; I617-H621 PolarHBondContact O-N 3.45Å; I617-H621 VanDerWaalsContact O-N 3.15Å; A618-H621 PolarHBondContact O-N 3.44Å; H621-S623 PolarHBondContact O-N 3.38Å
622	N	93.9	Very high	92.3	Very high	120 Å²	120	52.1 Å²	52.1	64%	0.642	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-1.9	173.6	-67	-17.4	0	0	0	113.5	A618 A619 F620 T624	A618-N622 WeakPolarHBondContact O-CB 3.44Å; A618-N622 VanDerWaalsContact O-CG 3.28Å; A618-N622 PolarHBondContact O-N 3.07Å; A618-N622 PolarHBondContact O-ND2 2.83Å; A619-N622 CarbonylContact O-C 3.58Å; F620-N622 VanDerWaalsContact C-N 3.31Å; F620-N622 PolarHBondContact O-N 3.02Å; N622-T624 HydrophobicContact CB-CG2 4.04Å; N622-T624 PolarHBondContact O-N 3.4Å
623	S	92.4	Very high	91.4	Very high	96 Å²	96	57 Å²	57	67%	0.671	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.5	-178.4	-55	0	0	0	0	113.9	A619 F620 H621	A619-S623 PolarHBondContact O-N 3.45Å; A619-S623 VanDerWaalsContact O-N 3.07Å; F620-S623 PolarHBondContact O-N 3.29Å; H621-S623 PolarHBondContact O-N 3.38Å
624	T	94.8	Very high	89.9	Confident	97 Å²	97	61 Å²	61	60%	0.595	32%	0.319	S	S	*	.			trans	-94.1	-12.1	179.4	58.4	0	0	0	0	113.2	A619 N622	A619-T624 WeakPolarHBondContact CA-OG1 3.35Å; A619-T624 WeakPolarHBondContact CB-OG1 3.42Å; A619-T624 PolarHBondContact O-N 3.39Å; A619-T624 PolarHBondContact O-OG1 3.47Å; N622-T624 HydrophobicContact CB-CG2 4.04Å; N622-T624 PolarHBondContact O-N 3.4Å
625	L	94.8	Very high	88	Confident	41 Å²	41	65.4 Å²	65.4	22%	0.215	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-69	143.5	177.3	-65.3	178.9	0	0	0	112	I593 F602 F616 A619 F620	I593-L625 HydrophobicContact CD1-CD1 4.42Å; F602-L625 HydrophobicContact CB-CB 4.48Å; F602-L625 HydrophobicContact CB-CD1 3.92Å; F602-L625 HydrophobicContact CD1-CB 3.41Å; F602-L625 VanDerWaalsContact CD1-CB 3.41Å; F602-L625 HydrophobicContact CD1-CD1 4.19Å; F602-L625 HydrophobicContact CD1-CG 4.46Å; F602-L625 HydrophobicContact CE1-CB 3.77Å; F602-L625 HydrophobicContact CG-CB 4.04Å; F602-L625 HydrophobicContact CG-CD1 3.96Å; F616-L625 HydrophobicContact CD2-CD1 3.72Å; F616-L625 HydrophobicContact CD2-CD2 3.73Å; F616-L625 HydrophobicContact CD2-CG 4.4Å; F616-L625 HydrophobicContact CE2-CD1 3.49Å; F616-L625 VanDerWaalsContact CE2-CD1 3.49Å; F616-L625 HydrophobicContact CE2-CD2 3.91Å; F616-L625 HydrophobicContact CE2-CG 4.35Å; F616-L625 HydrophobicContact CZ-CD1 4.3Å; A619-L625 HydrophobicContact CB-CD2 3.53Å; A619-L625 HydrophobicContact CB-CG 3.75Å; F620-L625 HydrophobicContact CB-CD1 3.62Å; F620-L625 HydrophobicContact CD2-CD1 4.45Å
626	R	90.2	Very high	85.7	Confident	224 Å²	224	68.3 Å²	68.3	85%	0.845	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-94.2	130.3	172.6	-65.5	-178.8	-177.3	169.3	1.3	109.5	W628	R626-W628 PolarHBondContact O-N 3.23Å
627	P	91.2	Very high	83	Confident	62 Å²	62	75.4 Å²	75.4	40%	0.403	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-56.2	134.4	175.3	-25.4	34.4	0	0	0	111.3	V601 F602	V601-P627 CarbonylContact O-C 3.4Å; V601-P627 WeakPolarHBondContact O-CA 3.06Å; F602-P627 HydrophobicContact CE1-CB 4.4Å; F602-P627 HydrophobicContact CE1-CG 3.9Å; F602-P627 HydrophobicContact CZ-CG 4.48Å
628	W	90.1	Very high	80.2	Confident	23 Å²	23	80.3 Å²	80.3	9%	0.087	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-76.9	132.9	171.3	177.3	73.6	0	0	0	109.5	W572 I574 V601 R603 R626 R630	W572-W628 WeakPolarHBondContact O-CH2 3.45Å; I574-W628 WeakPolarHBondContact O-CZ3 3.45Å; V601-W628 HydrophobicContact CG1-CE3 4.5Å; V601-W628 PolarHBondContact O-N 3.11Å; R603-W628 HydrophobicContact CB-CB 3.78Å; R603-W628 HydrophobicContact CB-CD2 4.42Å; R603-W628 HydrophobicContact CB-CG 3.75Å; R626-W628 PolarHBondContact O-N 3.23Å; W628-R630 HydrophobicContact CE3-CG 4.13Å; W628-R630 HydrophobicContact CH2-CB 4.12Å; W628-R630 HydrophobicContact CH2-CG 3.41Å; W628-R630 VanDerWaalsContact CH2-CG 3.41Å; W628-R630 HydrophobicContact CZ2-CG 4.33Å; W628-R630 HydrophobicContact CZ3-CB 4.37Å; W628-R630 HydrophobicContact CZ3-CG 3.28Å
629	L	88.3	Confident	77.5	Confident	54 Å²	54	85.4 Å²	85.4	28%	0.283	46%	0.461	S	S	.	.			trans	-109.5	125.9	179.9	-64.7	176.9	0	0	0	109.5	D722 P724	L629-D722 HydrophobicContact CB-CB 4.17Å; L629-D722 HydrophobicContact CD2-CB 3.88Å; L629-P724 HydrophobicContact CD1-CG 3.8Å
630	R	87.4	Confident	74.6	Confident	89 Å²	89	89.8 Å²	89.8	34%	0.336	49%	0.486	S	S	.	.			trans	-61.8	146.4	178	-67.2	174.8	-54.3	171.7	-1.3	111.2	E573 W628 M721 D722	E573-R630 WeakPolarHBondContact O-CD 3.32Å; W628-R630 HydrophobicContact CE3-CG 4.13Å; W628-R630 HydrophobicContact CH2-CB 4.12Å; W628-R630 HydrophobicContact CH2-CG 3.41Å; W628-R630 VanDerWaalsContact CH2-CG 3.41Å; W628-R630 HydrophobicContact CZ2-CG 4.33Å; W628-R630 HydrophobicContact CZ3-CB 4.37Å; W628-R630 HydrophobicContact CZ3-CG 3.28Å; R630-M721 CarbonylContact O-C 3.55Å; R630-M721 VanDerWaalsContact O-CA 3.29Å; R630-M721 WeakPolarHBondContact O-CA 3.45Å; R630-D722 HydrophobicContact CB-CB 4.34Å; R630-D722 WeakPolarHBondContact CB-OD2 3.24Å; R630-D722 WeakPolarHBondContact CD-OD2 3.5Å; R630-D722 WeakPolarHBondContact CG-OD2 3.34Å; R630-D722 IonicContact CZ-OD1 2.65Å; R630-D722 IonicContact CZ-OD2 3.42Å; R630-D722 PolarHBondContact N-OD2 2.02Å; R630-D722 VanDerWaalsContact N-OD2 3.15Å; R630-D722 VanDerWaalsContact NE-CG 3.25Å; R630-D722 IonicContact NE-OD1 3.56Å; R630-D722 PolarHBondContact NE-OD1 2.98Å; R630-D722 VanDerWaalsContact NE-OD1 3.11Å; R630-D722 IonicContact NE-OD2 3.73Å; R630-D722 PolarHBondContact NE-OD2 2.58Å; R630-D722 IonicContact NH2-OD1 3.28Å; R630-D722 PolarHBondContact NH2-OD1 3.36Å; R630-D722 IonicContact NH2-OD2 3.47Å; R630-D722 PolarHBondContact O-N 3.37Å
631	Y	83.3	Confident	71.8	Confident	79 Å²	79	96 Å²	96	31%	0.31	52%	0.519	S	S	.	.			trans	-144.6	160.6	170.4	57.3	-90.3	0	0	0	110	W572 K633 K720	W572-Y631 AromaticContact CH2-CE2 3.89Å; W572-Y631 HydrophobicContact CH2-CE2 3.89Å; W572-Y631 HydrophobicContact CZ2-CD2 4.26Å; W572-Y631 HydrophobicContact CZ2-CE2 4.03Å; W572-Y631 WeakPolarHBondContact CZ2-O 3.39Å; W572-Y631 PolarHBondContact NE1-O 2.93Å; Y631-K633 PolarHBondContact O-N 3.47Å; Y631-K720 CarbonylContact C-O 3.53Å; Y631-K720 VanDerWaalsContact C-O 3.24Å; Y631-K720 WeakPolarHBondContact CA-O 3.37Å
632	P	78.7	Confident	69	Low	40 Å²	40	99.8 Å²	99.8	26%	0.26	55%	0.549	S	S	.	.			trans	-57.8	133.1	178.4	-25	34.2	0	0	0	111.3	A634 K720 M721	P632-A634 PolarHBondContact O-N 3.45Å; P632-K720 HydrophobicContact CG-CB 4.23Å; P632-M721 VanDerWaalsContact CD-CE 3.43Å; P632-M721 HydrophobicContact CG-CE 3.98Å
633	K	71.8	Confident	66.4	Low	105 Å²	105	98.6 Å²	98.6	46%	0.457	55%	0.55	S	S	.	.			trans	-57	130.9	171.4	-167.8	174.4	-178.5	175.3	0	108.5	W572 S578 Y631 S635	W572-K633 HydrophobicContact CD2-CB 4.27Å; W572-K633 HydrophobicContact CD2-CD 4.46Å; W572-K633 HydrophobicContact CD2-CG 4.37Å; W572-K633 HydrophobicContact CH2-CG 4.41Å; W572-K633 VanDerWaalsContact CZ2-CA 3.49Å; W572-K633 HydrophobicContact CZ2-CB 3.86Å; W572-K633 HydrophobicContact CZ2-CG 4.24Å; S578-K633 WeakPolarHBondContact OG-CE 3.38Å; S578-K633 PolarHBondContact OG-NZ 3.38Å; Y631-K633 PolarHBondContact O-N 3.47Å; K633-S635 PolarHBondContact O-N 2.99Å
634	A	64.9	Low	64	Low	86 Å²	86	101.3 Å²	101.3	71%	0.711	55%	0.554	S	S	*	*			trans	-55.1	114.9	173.7	0	0	0	0	0	107.8	P632 Q636	P632-A634 PolarHBondContact O-N 3.45Å; A634-Q636 PolarHBondContact O-N 3.49Å; A634-Q636 VanDerWaalsContact O-N 3.09Å
635	S	55	Low	61.5	Low	92 Å²	92	100 Å²	100	64%	0.643	55%	0.548	S	S	*	.			trans	-63.1	117.7	178.9	58.4	0	0	0	0	107.8	K633 H637	K633-S635 PolarHBondContact O-N 2.99Å; S635-H637 PolarHBondContact O-N 3.33Å; S635-H637 VanDerWaalsContact O-N 3.12Å
636	Q	45.9	Very low	59.3	Low	153 Å²	153	103.7 Å²	103.7	72%	0.715	58%	0.578	S	S	*	*			trans	-62.9	-10.3	167.4	-70	-175	-3	0	0	111.7	D580 A634 T638	D580-Q636 PolarHBondContact OD2-NE2 3.23Å; A634-Q636 PolarHBondContact O-N 3.49Å; A634-Q636 VanDerWaalsContact O-N 3.09Å; Q636-T638 PolarHBondContact O-N 3.47Å
637	H	41.9	Very low	57.6	Low	158 Å²	158	98.8 Å²	98.8	73%	0.731	57%	0.568	S	S	*	*	S	Bend	trans	-60.3	101.1	168.8	-79.4	-70.1	0	0	0	110.4	S635	S635-H637 PolarHBondContact O-N 3.33Å; S635-H637 VanDerWaalsContact O-N 3.12Å
638	T	37.3	Very low	56.3	Low	103 Å²	103	101.7 Å²	101.7	63%	0.632	58%	0.58	S	S	*	*			trans	60.8	102.2	164.8	55.3	0	0	0	0	114.9	Q636 V640	Q636-T638 PolarHBondContact O-N 3.47Å; T638-V640 HydrophobicContact CG2-CG2 4.33Å; T638-V640 PolarHBondContact O-N 3.37Å
639	S	37.5	Very low	55.9	Low	121 Å²	121	103.5 Å²	103.5	85%	0.846	59%	0.591	S	S	*	*			trans	-51.8	58.5	132.5	48.9	0	0	0	0	111.2	N641	S639-N641 VanDerWaalsContact C-N 3.34Å; S639-N641 PolarHBondContact O-N 3.1Å; S639-N641 VanDerWaalsContact O-N 3.12Å
640	V	37.5	Very low	56	Low	110 Å²	110	101.8 Å²	101.8	67%	0.667	58%	0.582	S	S	*	*			trans	-66.6	111.8	149.9	-175.7	0	0	0	0	103	T638 S642	T638-V640 HydrophobicContact CG2-CG2 4.33Å; T638-V640 PolarHBondContact O-N 3.37Å; V640-S642 PolarHBondContact O-N 2.93Å
641	N	35.6	Very low	56.1	Low	133 Å²	133	99.6 Å²	99.6	71%	0.711	58%	0.576	S	S	*	*			trans	-29	117.7	171.6	-76.5	-27.2	0	0	0	109.6	S639 S643	S639-N641 VanDerWaalsContact C-N 3.34Å; S639-N641 PolarHBondContact O-N 3.1Å; S639-N641 VanDerWaalsContact O-N 3.12Å; N641-S643 PolarHBondContact O-N 3.22Å; N641-S643 PolarHBondContact O-OG 3.12Å
642	S	37.2	Very low	56.4	Low	110 Å²	110	99.2 Å²	99.2	77%	0.769	58%	0.58	S	S	*	*			trans	-69.9	42.8	175.1	58.5	0	0	0	0	111.3	V640 M644	V640-S642 PolarHBondContact O-N 2.93Å; S642-M644 PolarHBondContact O-N 3.46Å
643	S	39.3	Very low	57	Low	94 Å²	94	97.7 Å²	97.7	66%	0.657	57%	0.57	S	S	*	*	S	Bend	trans	-56.6	107.2	138.5	54.7	0	0	0	0	104	N641 S645	N641-S643 PolarHBondContact O-N 3.22Å; N641-S643 PolarHBondContact O-OG 3.12Å; S643-S645 VanDerWaalsContact C-N 3.29Å; S643-S645 PolarHBondContact O-N 3.34Å
644	M	40.6	Very low	57.7	Low	154 Å²	154	100 Å²	100	76%	0.759	58%	0.58	S	S	*	*			trans	-36.2	100.1	169.5	-74.9	-83	99.9	0	0	107.6	S642 S646	S642-M644 PolarHBondContact O-N 3.46Å; M644-S646 PolarHBondContact O-N 3.1Å; M644-S646 PolarHBondContact O-OG 3.24Å
645	S	42.4	Very low	58.8	Low	68 Å²	68	97.6 Å²	97.6	48%	0.476	56%	0.558	S	S	.	*			trans	-62.1	102.9	175.8	175.1	0	0	0	0	103.5	S643 D647 L648	S643-S645 VanDerWaalsContact C-N 3.29Å; S643-S645 PolarHBondContact O-N 3.34Å; S645-D647 PolarHBondContact O-N 3.11Å; S645-L648 PolarHBondContact O-N 3.33Å; S645-L648 VanDerWaalsContact O-N 3.13Å
646	S	49.2	Very low	60.4	Low	120 Å²	120	94 Å²	94	84%	0.839	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-5.5	-174.1	-26.1	0	0	0	0	110.7	M644	M644-S646 PolarHBondContact O-N 3.1Å; M644-S646 PolarHBondContact O-OG 3.24Å
647	D	54.2	Low	62.3	Low	120 Å²	120	91.2 Å²	91.2	64%	0.642	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.2	-179.1	-73.6	-36.5	0	0	0	114.5	S645 L649	S645-D647 PolarHBondContact O-N 3.11Å; D647-L649 PolarHBondContact O-N 2.83Å
648	L	64.3	Low	64.6	Low	123 Å²	123	86 Å²	86	64%	0.644	50%	0.502	S	S	*	.			trans	-68.8	99.8	172.2	-74.4	173.5	0	0	0	109.9	S645 I650	S645-L648 PolarHBondContact O-N 3.33Å; S645-L648 VanDerWaalsContact O-N 3.13Å; L648-I650 PolarHBondContact O-N 3.23Å
649	L	82.5	Confident	67.1	Low	62 Å²	62	81.1 Å²	81.1	33%	0.325	47%	0.472	S	S	.	.	S	Bend	trans	-54.1	-34.1	176.6	-80.1	163.5	0	0	0	113.3	D647 R703 K706	D647-L649 PolarHBondContact O-N 2.83Å; L649-R703 HydrophobicContact CD1-CG 3.65Å; L649-R703 HydrophobicContact CD2-CG 4.45Å; L649-K706 HydrophobicContact CD2-CB 3.86Å; L649-K706 HydrophobicContact CD2-CD 3.78Å; L649-K706 HydrophobicContact CD2-CG 3.62Å
650	I	88.7	Confident	69.5	Low	18 Å²	18	77.3 Å²	77.3	9%	0.092	44%	0.443	C	S	.	.	S	Bend	trans	-135.5	130.4	-179.1	-60.8	169.4	0	0	0	108.5	L648 F698 E699 A702 F713 R715	L648-I650 PolarHBondContact O-N 3.23Å; I650-F698 HydrophobicContact CD1-CD1 3.99Å; I650-F698 HydrophobicContact CD1-CE1 4.2Å; I650-F698 HydrophobicContact CG2-CE1 4.22Å; I650-E699 HydrophobicContact CD1-CB 3.97Å; I650-E699 HydrophobicContact CD1-CG 3.56Å; I650-A702 HydrophobicContact CD1-CB 3.73Å; I650-A702 HydrophobicContact CG1-CB 3.55Å; I650-F713 WeakPolarHBondContact CA-O 3.46Å; I650-F713 HydrophobicContact CG1-CB 3.97Å; I650-R715 HydrophobicContact CG2-CB 4.2Å; I650-R715 HydrophobicContact CG2-CG 3.84Å
651	L	90.5	Very high	71.7	Confident	42 Å²	42	76 Å²	76	22%	0.22	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.1	176.8	-176.4	66.3	0	0	0	110.8	L662 L712 F713 A714 R715	L651-L662 HydrophobicContact CD2-CD1 3.75Å; L651-L662 HydrophobicContact CD2-CD2 3.53Å; L651-L662 HydrophobicContact CD2-CG 4.26Å; L651-L712 HydrophobicContact CB-CD1 4.48Å; L651-F713 PolarHBondContact N-O 2.92Å; L651-A714 HydrophobicContact CB-CB 4.22Å; L651-A714 CarbonylContact O-C 3.52Å; L651-A714 WeakPolarHBondContact O-CA 3.3Å; L651-A714 WeakPolarHBondContact O-CB 3.04Å; L651-R715 PolarHBondContact O-N 3.48Å
652	D	90.2	Very high	74.1	Confident	71 Å²	71	70.2 Å²	70.2	38%	0.38	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.7	172.4	-72.5	-38.2	0	0	0	110.6	K654 R715	D652-K654 PolarHBondContact O-N 3.47Å; D652-R715 WeakPolarHBondContact OD1-CG 3.38Å; D652-R715 IonicContact OD1-CZ 3.69Å; D652-R715 VanDerWaalsContact OD1-CZ 3.28Å; D652-R715 IonicContact OD1-NE 3.4Å; D652-R715 PolarHBondContact OD1-NE 2.97Å; D652-R715 IonicContact OD1-NH2 3.28Å; D652-R715 PolarHBondContact OD1-NH2 3.32Å; D652-R715 IonicContact OD2-NH2 2.92Å; D652-R715 PolarHBondContact OD2-NH2 2.92Å
653	V	89.9	Confident	76.4	Confident	9 Å²	9	66.1 Å²	66.1	6%	0.055	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.3	116.3	175.8	177.5	0	0	0	0	109.2	L659 L662 L678 A714 R715 V716 M721	V653-L659 HydrophobicContact CG1-CB 3.7Å; V653-L659 HydrophobicContact CG1-CD1 4.45Å; V653-L659 HydrophobicContact CG1-CG 4.49Å; V653-L659 HydrophobicContact CG2-CD1 4.29Å; V653-L662 HydrophobicContact CG2-CD1 4.01Å; V653-L678 HydrophobicContact CG2-CD1 4.14Å; V653-A714 HydrophobicContact CG2-CB 4.34Å; V653-R715 WeakPolarHBondContact CB-O 3.5Å; V653-R715 WeakPolarHBondContact CG2-O 3.32Å; V653-R715 PolarHBondContact N-O 3.35Å; V653-V716 HydrophobicContact CB-CB 4.01Å; V653-V716 HydrophobicContact CB-CG2 4.34Å; V653-V716 HydrophobicContact CG1-CB 4.39Å; V653-V716 HydrophobicContact CG1-CG2 4.3Å; V653-V716 HydrophobicContact CG2-CB 4.2Å; V653-M721 HydrophobicContact CG1-CE 4.06Å; V653-M721 HydrophobicContact CG1-SD 4.17Å; V653-M721 WeakPolarHBondContact O-CE 3.32Å
654	K	87.7	Confident	78.3	Confident	152 Å²	152	65.1 Å²	65.1	66%	0.661	36%	0.358	S	S	*	.			trans	-92.1	-23.2	-175.3	-61.1	-175.1	179.1	-178.2	0	115	D652 H658 M721	D652-K654 PolarHBondContact O-N 3.47Å; K654-H658 PolarHBondContact N-ND1 3.3Å; K654-M721 VanDerWaalsContact C-CE 3.4Å
655	S	88	Confident	79.5	Confident	36 Å²	36	60.4 Å²	60.4	25%	0.252	33%	0.334	S	S	.	.	S	Bend	trans	-156.7	163.9	178.9	70	0	0	0	0	111.7	V657 H658 L659	S655-V657 VanDerWaalsContact C-N 3.28Å; S655-V657 PolarHBondContact O-N 3.39Å; S655-H658 WeakPolarHBondContact O-CB 3.13Å; S655-H658 PolarHBondContact O-N 3.29Å; S655-H658 WeakPolarHBondContact OG-CB 3.2Å; S655-H658 PolarHBondContact OG-N 3.35Å; S655-H658 VanDerWaalsContact OG-N 3.09Å; S655-L659 PolarHBondContact O-N 3.06Å
656	P	87.9	Confident	79.8	Confident	16 Å²	16	62 Å²	62	10%	0.104	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-39.3	172.8	-26.9	35.7	0	0	0	113.1	H658 L659 T660 M721 L723 P724	P656-H658 PolarHBondContact O-N 3.21Å; P656-L659 WeakPolarHBondContact O-CB 3.31Å; P656-L659 PolarHBondContact O-N 3.03Å; P656-T660 PolarHBondContact O-N 3.07Å; P656-T660 PolarHBondContact O-OG1 2.72Å; P656-T660 VanDerWaalsContact O-OG1 3.12Å; P656-M721 HydrophobicContact CG-CG 4.3Å; P656-M721 HydrophobicContact CG-SD 4.31Å; P656-L723 HydrophobicContact CB-CD2 4.39Å; P656-L723 HydrophobicContact CG-CD2 4.33Å; P656-P724 HydrophobicContact CB-CG 4.27Å
657	V	87	Confident	79.6	Confident	95 Å²	95	60.4 Å²	60.4	58%	0.576	33%	0.334	S	S	*	.	H	α-helix	trans	-65.5	-40.3	177	-179.9	0	0	0	0	111.1	S655 L659 T660 N661	S655-V657 VanDerWaalsContact C-N 3.28Å; S655-V657 PolarHBondContact O-N 3.39Å; V657-L659 VanDerWaalsContact C-N 3.29Å; V657-L659 PolarHBondContact O-N 2.87Å; V657-T660 PolarHBondContact O-N 3.03Å; V657-N661 WeakPolarHBondContact O-CB 3.44Å; V657-N661 PolarHBondContact O-N 3.06Å
658	H	88.6	Confident	79.2	Confident	50 Å²	50	60 Å²	60	23%	0.231	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-41.2	173.7	179.5	-129	0	0	0	111	K654 S655 P656 N661 L662	K654-H658 PolarHBondContact N-ND1 3.3Å; S655-H658 WeakPolarHBondContact O-CB 3.13Å; S655-H658 PolarHBondContact O-N 3.29Å; S655-H658 WeakPolarHBondContact OG-CB 3.2Å; S655-H658 PolarHBondContact OG-N 3.35Å; S655-H658 VanDerWaalsContact OG-N 3.09Å; P656-H658 PolarHBondContact O-N 3.21Å; H658-N661 PolarHBondContact O-N 3.27Å; H658-L662 WeakPolarHBondContact O-CG 3.31Å; H658-L662 PolarHBondContact O-N 3.05Å
659	L	89.4	Confident	78.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-48.6	175.2	-178.2	53.2	0	0	0	112.2	V653 S655 P656 V657 N661 L662 I663 L678 L723 L727	V653-L659 HydrophobicContact CG1-CB 3.7Å; V653-L659 HydrophobicContact CG1-CD1 4.45Å; V653-L659 HydrophobicContact CG1-CG 4.49Å; V653-L659 HydrophobicContact CG2-CD1 4.29Å; S655-L659 PolarHBondContact O-N 3.06Å; P656-L659 WeakPolarHBondContact O-CB 3.31Å; P656-L659 PolarHBondContact O-N 3.03Å; V657-L659 VanDerWaalsContact C-N 3.29Å; V657-L659 PolarHBondContact O-N 2.87Å; L659-N661 VanDerWaalsContact C-N 3.33Å; L659-N661 PolarHBondContact O-N 3.18Å; L659-L662 WeakPolarHBondContact O-CB 3.24Å; L659-L662 PolarHBondContact O-N 3.19Å; L659-L662 VanDerWaalsContact O-N 3.16Å; L659-I663 HydrophobicContact CD1-CD1 3.86Å; L659-I663 HydrophobicContact CD1-CG1 4.22Å; L659-I663 HydrophobicContact CG-CD1 3.97Å; L659-I663 WeakPolarHBondContact O-CG1 3.33Å; L659-I663 PolarHBondContact O-N 3.49Å; L659-L678 HydrophobicContact CD1-CD1 4.16Å; L659-L678 HydrophobicContact CD1-CD2 3.45Å; L659-L678 VanDerWaalsContact CD1-CD2 3.45Å; L659-L678 HydrophobicContact CD1-CG 4.48Å; L659-L723 HydrophobicContact CD2-CD1 4.1Å; L659-L723 HydrophobicContact CD2-CD2 3.77Å; L659-L727 HydrophobicContact CB-CD1 4.47Å; L659-L727 HydrophobicContact CD2-CB 4.34Å; L659-L727 HydrophobicContact CD2-CD1 4.04Å; L659-L727 HydrophobicContact CG-CD1 4.2Å
660	T	88.1	Confident	76.6	Confident	40 Å²	40	65.8 Å²	65.8	25%	0.245	36%	0.361	C	S	.	.	H	α-helix	trans	-55.8	-49.2	175.8	-57.9	0	0	0	0	110.7	P656 V657 L662 I663 D664	P656-T660 PolarHBondContact O-N 3.07Å; P656-T660 PolarHBondContact O-OG1 2.72Å; P656-T660 VanDerWaalsContact O-OG1 3.12Å; V657-T660 PolarHBondContact O-N 3.03Å; T660-L662 VanDerWaalsContact C-N 3.28Å; T660-L662 PolarHBondContact O-N 2.95Å; T660-I663 PolarHBondContact O-N 3.48Å; T660-I663 VanDerWaalsContact O-N 3.14Å; T660-D664 VanDerWaalsContact CG2-OD2 3.24Å; T660-D664 WeakPolarHBondContact CG2-OD2 3.5Å; T660-D664 VanDerWaalsContact O-CB 3.27Å; T660-D664 WeakPolarHBondContact O-CB 3.48Å; T660-D664 PolarHBondContact O-N 3.31Å
661	N	85.4	Confident	74.6	Confident	84 Å²	84	74.6 Å²	74.6	45%	0.449	40%	0.398	S	S	.	.	H	α-helix	trans	-62.5	-33.6	179	-70	-10.8	0	0	0	113.2	V657 H658 L659 Q665	V657-N661 WeakPolarHBondContact O-CB 3.44Å; V657-N661 PolarHBondContact O-N 3.06Å; H658-N661 PolarHBondContact O-N 3.27Å; L659-N661 VanDerWaalsContact C-N 3.33Å; L659-N661 PolarHBondContact O-N 3.18Å; N661-Q665 WeakPolarHBondContact O-CG 3.22Å; N661-Q665 PolarHBondContact O-N 2.75Å
662	L	85.4	Confident	72.9	Confident	10 Å²	10	74.6 Å²	74.6	5%	0.052	40%	0.402	C	S	.	.	H	α-helix	trans	-68.1	-40.2	175.2	-73	173.4	0	0	0	112	L651 V653 H658 L659 T660 L676 L712 A714	L651-L662 HydrophobicContact CD2-CD1 3.75Å; L651-L662 HydrophobicContact CD2-CD2 3.53Å; L651-L662 HydrophobicContact CD2-CG 4.26Å; V653-L662 HydrophobicContact CG2-CD1 4.01Å; H658-L662 WeakPolarHBondContact O-CG 3.31Å; H658-L662 PolarHBondContact O-N 3.05Å; L659-L662 WeakPolarHBondContact O-CB 3.24Å; L659-L662 PolarHBondContact O-N 3.19Å; L659-L662 VanDerWaalsContact O-N 3.16Å; T660-L662 VanDerWaalsContact C-N 3.28Å; T660-L662 PolarHBondContact O-N 2.95Å; L662-L676 HydrophobicContact CB-CD2 4.07Å; L662-L712 HydrophobicContact CD2-CD2 4Å; L662-A714 HydrophobicContact CD1-CB 4.42Å
663	I	86.2	Confident	71.9	Confident	24 Å²	24	76.9 Å²	76.9	12%	0.123	41%	0.408	C	S	.	.	H	α-helix	trans	-72.8	-40.6	177.7	-65.6	168.5	0	0	0	110.5	L659 T660 Q665 L676 L727 F738 S743	L659-I663 HydrophobicContact CD1-CD1 3.86Å; L659-I663 HydrophobicContact CD1-CG1 4.22Å; L659-I663 HydrophobicContact CG-CD1 3.97Å; L659-I663 WeakPolarHBondContact O-CG1 3.33Å; L659-I663 PolarHBondContact O-N 3.49Å; T660-I663 PolarHBondContact O-N 3.48Å; T660-I663 VanDerWaalsContact O-N 3.14Å; I663-Q665 VanDerWaalsContact C-N 3.27Å; I663-Q665 PolarHBondContact O-N 2.7Å; I663-L676 HydrophobicContact CG1-CD2 3.97Å; I663-L727 HydrophobicContact CD1-CD2 3.9Å; I663-F738 HydrophobicContact CD1-CE1 4.27Å; I663-F738 HydrophobicContact CD1-CE2 4.43Å; I663-F738 HydrophobicContact CD1-CZ 4.02Å; I663-F738 HydrophobicContact CG1-CD1 4.44Å; I663-F738 HydrophobicContact CG1-CE1 4.3Å; I663-F738 HydrophobicContact CG1-CE2 4.37Å; I663-F738 HydrophobicContact CG1-CZ 4.26Å; I663-F738 HydrophobicContact CG2-CD1 3.84Å; I663-F738 HydrophobicContact CG2-CE1 3.94Å; I663-S743 WeakPolarHBondContact O-CB 3.49Å
664	D	78.7	Confident	71.4	Confident	73 Å²	73	79.4 Å²	79.4	39%	0.39	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	13.6	-176.4	-71	-15.6	0	0	0	113.6	T660 S666	T660-D664 VanDerWaalsContact CG2-OD2 3.24Å; T660-D664 WeakPolarHBondContact CG2-OD2 3.5Å; T660-D664 VanDerWaalsContact O-CB 3.27Å; T660-D664 WeakPolarHBondContact O-CB 3.48Å; T660-D664 PolarHBondContact O-N 3.31Å; D664-S666 WeakPolarHBondContact O-CA 3.46Å; D664-S666 WeakPolarHBondContact O-CB 3.42Å; D664-S666 PolarHBondContact O-N 3.45Å; D664-S666 PolarHBondContact O-OG 2.84Å
665	Q	65.5	Low	71.3	Confident	55 Å²	55	72.7 Å²	72.7	26%	0.257	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	5.8	-171.9	-104.2	-171.4	15.3	0	0	117.5	N661 I663 S667	N661-Q665 WeakPolarHBondContact O-CG 3.22Å; N661-Q665 PolarHBondContact O-N 2.75Å; I663-Q665 VanDerWaalsContact C-N 3.27Å; I663-Q665 PolarHBondContact O-N 2.7Å; Q665-S667 PolarHBondContact O-N 2.79Å; Q665-S667 VanDerWaalsContact O-N 3.1Å
666	S	48.9	Very low	71.5	Confident	101 Å²	101	71.1 Å²	71.1	71%	0.706	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.8	-22.3	156.1	68.9	0	0	0	0	116	D664	D664-S666 WeakPolarHBondContact O-CA 3.46Å; D664-S666 WeakPolarHBondContact O-CB 3.42Å; D664-S666 PolarHBondContact O-N 3.45Å; D664-S666 PolarHBondContact O-OG 2.84Å
667	S	45.1	Very low	71.7	Confident	87 Å²	87	70.4 Å²	70.4	61%	0.608	37%	0.374	S	S	*	.	S	Bend	trans	-119.1	-17.1	-162.4	59.8	0	0	0	0	119.9	Q665	Q665-S667 PolarHBondContact O-N 2.79Å; Q665-S667 VanDerWaalsContact O-N 3.1Å
668	V	45.8	Very low	72.1	Confident	112 Å²	112	65.9 Å²	65.9	68%	0.679	35%	0.347	S	S	*	.	S	Bend	trans	-119.7	-26.5	-166.7	-174	0	0	0	0	116.3
669	L	44.5	Very low	72.4	Confident	109 Å²	109	63.5 Å²	63.5	57%	0.571	34%	0.336	S	S	*	.			trans	-122.1	80.9	-178.4	-134.8	80.5	0	0	0	110.7	K671 S672	L669-K671 PolarHBondContact O-N 2.75Å; L669-S672 PolarHBondContact O-N 3.48Å
670	E	47.4	Very low	72.7	Confident	198 Å²	198	63.7 Å²	63.7	93%	0.925	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-20.6	179	-73.8	-170	153.2	0	0	114
671	K	46.6	Very low	72.9	Confident	203 Å²	203	62.8 Å²	62.8	88%	0.883	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-1.8	-173.5	-70.8	-172.4	177	179.5	0	116.6	L669	L669-K671 PolarHBondContact O-N 2.75Å
672	S	54.7	Low	73.2	Confident	42 Å²	42	59.2 Å²	59.2	29%	0.294	31%	0.31	S	S	.	.			trans	-160.9	95.2	164	65.6	0	0	0	0	111.8	L669 K674	L669-S672 PolarHBondContact O-N 3.48Å; S672-K674 PolarHBondContact O-N 2.81Å; S672-K674 WeakPolarHBondContact OG-CE 3.49Å
673	K	68.5	Low	73.1	Confident	118 Å²	118	61.5 Å²	61.5	51%	0.513	33%	0.327	S	S	.	.			trans	-65.5	112.5	163.6	-71.6	-175.9	173	-174.4	0	108	T740 N741	K673-T740 HydrophobicContact CB-CG2 3.77Å; K673-N741 PolarHBondContact NZ-OD1 2.9Å
674	K	79.9	Confident	72.8	Confident	62 Å²	62	66.3 Å²	66.3	27%	0.27	36%	0.358	S	S	.	.			trans	-114.3	136.5	178.1	-60.4	-170.3	-177.5	-165	0	111	S672 L676 Q709 Y710 L712 T740	S672-K674 PolarHBondContact O-N 2.81Å; S672-K674 WeakPolarHBondContact OG-CE 3.49Å; K674-L676 PolarHBondContact O-N 3.17Å; K674-Q709 WeakPolarHBondContact CD-O 2.97Å; K674-Q709 WeakPolarHBondContact CE-O 3.42Å; K674-Q709 WeakPolarHBondContact CG-O 3.05Å; K674-Y710 CarbonylContact C-O 3.56Å; K674-Y710 VanDerWaalsContact CA-O 3.24Å; K674-Y710 WeakPolarHBondContact CA-O 3.23Å; K674-L712 HydrophobicContact CB-CB 3.87Å; K674-L712 HydrophobicContact CD-CB 4.13Å; K674-T740 WeakPolarHBondContact O-CG2 3.44Å
675	N	86.8	Confident	73	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.059	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.4	172.8	-56.7	-64.9	0	0	0	107.7	Y710 L711 L712 Y737 P739 T740	N675-Y710 PolarHBondContact N-O 2.9Å; N675-L711 HydrophobicContact CB-CD2 4.05Å; N675-L712 PolarHBondContact O-N 2.86Å; N675-Y737 HydrophobicContact CB-CE2 3.65Å; N675-Y737 WeakPolarHBondContact CB-OH 3Å; N675-Y737 VanDerWaalsContact CG-OH 3.22Å; N675-Y737 PolarHBondContact OD1-OH 3.39Å; N675-P739 WeakPolarHBondContact OD1-CA 3.33Å; N675-T740 HydrophobicContact CB-CG2 4.46Å; N675-T740 VanDerWaalsContact N-CG2 3.29Å; N675-T740 WeakPolarHBondContact OD1-CG2 3.31Å; N675-T740 PolarHBondContact OD1-N 3.3Å; N675-T740 PolarHBondContact OD1-OG1 3.28Å
676	L	90.4	Very high	73.4	Confident	4 Å²	4	68 Å²	68	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.6	-173.5	170.2	71.1	0	0	0	109.6	L662 I663 K674 L678 L712 A714 Y737 F738	L662-L676 HydrophobicContact CB-CD2 4.07Å; I663-L676 HydrophobicContact CG1-CD2 3.97Å; K674-L676 PolarHBondContact O-N 3.17Å; L676-L678 HydrophobicContact CG-CB 4.4Å; L676-L712 CarbonylContact C-O 3.42Å; L676-L712 WeakPolarHBondContact CA-O 3.45Å; L676-L712 HydrophobicContact CD1-CB 4.47Å; L676-L712 HydrophobicContact CD1-CD2 4.18Å; L676-L712 HydrophobicContact CD1-CG 4.11Å; L676-A714 HydrophobicContact CD1-CB 3.67Å; L676-Y737 CarbonylContact O-C 3.58Å; L676-F738 HydrophobicContact CB-CB 4.12Å; L676-F738 HydrophobicContact CD2-CB 4.49Å; L676-F738 HydrophobicContact CD2-CD2 4.1Å; L676-F738 HydrophobicContact CG-CD2 4.38Å; L676-F738 PolarHBondContact N-O 3.38Å; L676-F738 PolarHBondContact O-N 3.27Å
677	I	93.9	Very high	74.8	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.4	170.4	-54.8	166.5	0	0	0	106.4	F698 L711 L712 F713 A714 I735 Y737 I767	I677-F698 HydrophobicContact CG2-CE2 3.69Å; I677-F698 HydrophobicContact CG2-CZ 4.17Å; I677-L711 HydrophobicContact CD1-CD1 4.25Å; I677-L711 HydrophobicContact CD1-CD2 4.01Å; I677-L712 PolarHBondContact N-O 2.94Å; I677-F713 HydrophobicContact CB-CD1 4.12Å; I677-F713 HydrophobicContact CB-CE1 4.19Å; I677-F713 HydrophobicContact CD1-CD1 4.3Å; I677-F713 HydrophobicContact CD1-CD2 4.42Å; I677-F713 HydrophobicContact CD1-CE1 3.66Å; I677-F713 HydrophobicContact CD1-CE2 3.79Å; I677-F713 HydrophobicContact CD1-CZ 3.37Å; I677-F713 HydrophobicContact CG2-CD1 4.23Å; I677-F713 HydrophobicContact CG2-CE1 4.11Å; I677-F713 WeakPolarHBondContact O-CA 3.29Å; I677-A714 PolarHBondContact O-N 3.06Å; I677-I735 HydrophobicContact CG2-CG2 4.03Å; I677-Y737 HydrophobicContact CG1-CD2 4.02Å; I677-I767 HydrophobicContact CD1-CB 4.44Å; I677-I767 HydrophobicContact CD1-CD1 3.71Å; I677-I767 HydrophobicContact CD1-CG1 3.75Å; I677-I767 HydrophobicContact CD1-CG2 3.8Å
678	L	95	Very high	76.6	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.9	-172.2	-179	64.1	0	0	0	111.2	V653 L659 L676 Y680 A714 V716 I735 I736 F738	V653-L678 HydrophobicContact CG2-CD1 4.14Å; L659-L678 HydrophobicContact CD1-CD1 4.16Å; L659-L678 HydrophobicContact CD1-CD2 3.45Å; L659-L678 VanDerWaalsContact CD1-CD2 3.45Å; L659-L678 HydrophobicContact CD1-CG 4.48Å; L676-L678 HydrophobicContact CG-CB 4.4Å; L678-Y680 HydrophobicContact CD2-CD2 4.22Å; L678-Y680 HydrophobicContact CD2-CE2 3.36Å; L678-Y680 HydrophobicContact CG-CD2 4.16Å; L678-Y680 HydrophobicContact CG-CE2 3.78Å; L678-A714 WeakPolarHBondContact CA-O 3.29Å; L678-A714 HydrophobicContact CD1-CB 3.92Å; L678-V716 HydrophobicContact CD1-CG1 4.18Å; L678-V716 HydrophobicContact CG-CG1 4.48Å; L678-I735 WeakPolarHBondContact O-CA 3.06Å; L678-I736 PolarHBondContact N-O 3Å; L678-I736 PolarHBondContact O-N 3.45Å; L678-F738 HydrophobicContact CB-CD2 4.37Å; L678-F738 HydrophobicContact CB-CE2 4.15Å; L678-F738 HydrophobicContact CD2-CE2 4Å
679	L	95.1	Very high	77.9	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.5	169.9	171.5	68.3	0	0	0	110.9	Y681 L695 F698 A714 R715 V716 P733 I735	L679-Y681 HydrophobicContact CD2-CD1 4.43Å; L679-Y681 HydrophobicContact CG-CD1 4.5Å; L679-L695 HydrophobicContact CD2-CB 4.22Å; L679-L695 HydrophobicContact CD2-CD1 3.59Å; L679-F698 HydrophobicContact CB-CD1 3.91Å; L679-F698 HydrophobicContact CB-CD2 3.84Å; L679-F698 HydrophobicContact CB-CE1 3.78Å; L679-F698 HydrophobicContact CB-CE2 3.7Å; L679-F698 HydrophobicContact CB-CG 3.93Å; L679-F698 HydrophobicContact CB-CZ 3.67Å; L679-F698 HydrophobicContact CD2-CB 3.82Å; L679-F698 HydrophobicContact CD2-CD1 3.84Å; L679-F698 HydrophobicContact CD2-CD2 4.4Å; L679-F698 HydrophobicContact CD2-CE1 4.5Å; L679-F698 HydrophobicContact CD2-CG 3.78Å; L679-F698 HydrophobicContact CG-CG 4.37Å; L679-A714 PolarHBondContact N-O 3.41Å; L679-R715 HydrophobicContact CB-CB 4.2Å; L679-R715 CarbonylContact O-C 3.49Å; L679-R715 VanDerWaalsContact O-CA 3.27Å; L679-R715 WeakPolarHBondContact O-CA 3.42Å; L679-V716 PolarHBondContact O-N 3.44Å; L679-P733 HydrophobicContact CD1-CB 4.24Å; L679-I735 HydrophobicContact CB-CG1 4.5Å; L679-I735 HydrophobicContact CD1-CD1 4.33Å; L679-I735 HydrophobicContact CD1-CG1 3.63Å
680	Y	94.9	Very high	78.8	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.02	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.6	162	-67.2	-105.5	0	0	0	109.1	L678 V716 V718 L723 L727 V729 P733 C734 I736	L678-Y680 HydrophobicContact CD2-CD2 4.22Å; L678-Y680 HydrophobicContact CD2-CE2 3.36Å; L678-Y680 HydrophobicContact CG-CD2 4.16Å; L678-Y680 HydrophobicContact CG-CE2 3.78Å; Y680-V716 HydrophobicContact CD1-CG1 3.32Å; Y680-V716 HydrophobicContact CD2-CG1 4.09Å; Y680-V716 HydrophobicContact CE1-CG1 3.67Å; Y680-V716 HydrophobicContact CE2-CG1 4.36Å; Y680-V716 HydrophobicContact CG-CG1 3.56Å; Y680-V718 HydrophobicContact CD1-CG1 3.83Å; Y680-L723 HydrophobicContact CD1-CD1 4.1Å; Y680-L723 HydrophobicContact CE1-CD1 3.52Å; Y680-L727 VanDerWaalsContact CE1-O 3.31Å; Y680-L727 WeakPolarHBondContact CE1-O 3.18Å; Y680-L727 PolarHBondContact OH-O 3.09Å; Y680-L727 VanDerWaalsContact OH-O 3.08Å; Y680-V729 HydrophobicContact CD1-CB 4.45Å; Y680-V729 HydrophobicContact CD1-CG1 3.85Å; Y680-V729 HydrophobicContact CD1-CG2 3.72Å; Y680-V729 HydrophobicContact CD2-CG1 3.73Å; Y680-V729 HydrophobicContact CE1-CG1 3.82Å; Y680-V729 HydrophobicContact CE1-CG2 4.38Å; Y680-V729 HydrophobicContact CE2-CG1 3.73Å; Y680-V729 HydrophobicContact CG-CB 4.47Å; Y680-V729 HydrophobicContact CG-CG1 3.81Å; Y680-V729 HydrophobicContact CG-CG2 3.79Å; Y680-P733 VanDerWaalsContact O-CA 3.24Å; Y680-P733 WeakPolarHBondContact O-CA 3.26Å; Y680-C734 PolarHBondContact N-O 3.09Å; Y680-C734 PolarHBondContact O-N 3.33Å; Y680-C734 VanDerWaalsContact O-N 3.07Å; Y680-I736 HydrophobicContact CD2-CD1 4.42Å; Y680-I736 HydrophobicContact CE2-CD1 3.91Å; Y680-I736 HydrophobicContact CE2-CG1 4.44Å
681	Y	92.8	Very high	79.7	Confident	20 Å²	20	57.1 Å²	57.1	8%	0.078	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164.9	178.3	80.3	-77.4	0	0	0	111.5	L679 F689 L695 R715 V716 D717 V718	L679-Y681 HydrophobicContact CD2-CD1 4.43Å; L679-Y681 HydrophobicContact CG-CD1 4.5Å; Y681-F689 HydrophobicContact CD2-CD2 4.46Å; Y681-F689 HydrophobicContact CE2-CD2 4.12Å; Y681-L695 HydrophobicContact CD1-CD1 4.48Å; Y681-L695 HydrophobicContact CD2-CD2 4.16Å; Y681-L695 HydrophobicContact CE2-CD2 3.99Å; Y681-R715 HydrophobicContact CD1-CB 4.17Å; Y681-R715 HydrophobicContact CE1-CB 4Å; Y681-R715 HydrophobicContact CE1-CG 3.91Å; Y681-V716 VanDerWaalsContact CD1-O 3.25Å; Y681-V716 WeakPolarHBondContact CD1-O 3.43Å; Y681-V716 PolarHBondContact N-O 3.27Å; Y681-D717 HydrophobicContact CE1-CB 3.83Å; Y681-D717 HydrophobicContact CE2-CB 4.2Å; Y681-D717 CarbonylContact O-C 3.5Å; Y681-D717 WeakPolarHBondContact O-CA 3.24Å; Y681-V718 WeakPolarHBondContact O-CG2 3.49Å; Y681-V718 PolarHBondContact O-N 3.03Å
682	S	90.4	Very high	80.8	Confident	9 Å²	9	53 Å²	53	6%	0.063	30%	0.295	C	S	.	.			trans	-139.1	130.7	179.6	173.9	0	0	0	0	110.8	T684 C685 S688 S719	S682-T684 PolarHBondContact O-N 3.46Å; S682-T684 PolarHBondContact OG-N 2.8Å; S682-T684 VanDerWaalsContact OG-N 3.17Å; S682-T684 PolarHBondContact OG-OG1 3.15Å; S682-C685 PolarHBondContact O-N 3.09Å; S682-S688 PolarHBondContact N-OG 2.83Å; S682-S688 VanDerWaalsContact N-OG 3.13Å; S682-S688 PolarHBondContact O-OG 3.06Å; S682-S719 WeakPolarHBondContact OG-CB 3Å
683	S	83.7	Confident	82	Confident	59 Å²	59	51.4 Å²	51.4	41%	0.413	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20	173.4	66.2	0	0	0	0	113.8	S719	S683-S719 PolarHBondContact N-OG 3.43Å; S683-S719 WeakPolarHBondContact OG-CB 3.43Å; S683-S719 PolarHBondContact OG-OG 3.49Å
684	T	81.3	Confident	82.8	Confident	125 Å²	125	46.1 Å²	46.1	77%	0.767	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.4	177	66.4	0	0	0	0	113.8	S682	S682-T684 PolarHBondContact O-N 3.46Å; S682-T684 PolarHBondContact OG-N 2.8Å; S682-T684 VanDerWaalsContact OG-N 3.17Å; S682-T684 PolarHBondContact OG-OG1 3.15Å
685	C	82	Confident	83.2	Confident	28 Å²	28	43.6 Å²	43.6	19%	0.189	25%	0.251	C	S	.	.			trans	-98.9	111.2	179.5	176.9	0	0	0	0	110.5	S682 Y687 S688 F689	S682-C685 PolarHBondContact O-N 3.09Å; C685-Y687 VanDerWaalsContact C-N 3.3Å; C685-Y687 PolarHBondContact O-N 3.39Å; C685-S688 PolarHBondContact O-N 3.47Å; C685-S688 PolarHBondContact O-OG 2.89Å; C685-F689 PolarHBondContact O-N 2.99Å
686	I	74.8	Confident	83.1	Confident	134 Å²	134	48.7 Å²	48.7	69%	0.687	27%	0.269	S	S	*	.	H	α-helix	trans	-61.1	-36.4	-175.7	-163.3	157.2	0	0	0	113.2	S688 G690	I686-S688 PolarHBondContact O-N 3.49Å; I686-G690 PolarHBondContact O-N 3.18Å
687	Y	77.9	Confident	82.9	Confident	163 Å²	163	49.8 Å²	49.8	64%	0.639	27%	0.274	S	S	*	.	H	α-helix	trans	-64.9	-24.9	175.2	-67.6	-74.4	0	0	0	112.6	C685 S693 A694	C685-Y687 VanDerWaalsContact C-N 3.3Å; C685-Y687 PolarHBondContact O-N 3.39Å; Y687-S693 WeakPolarHBondContact O-CA 3.36Å; Y687-S693 WeakPolarHBondContact O-CB 3.42Å; Y687-A694 PolarHBondContact O-N 3.39Å
688	S	83.2	Confident	82.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-89.8	-35.8	-178.5	82.8	0	0	0	0	113.5	S682 C685 I686 S693 L695	S682-S688 PolarHBondContact N-OG 2.83Å; S682-S688 VanDerWaalsContact N-OG 3.13Å; S682-S688 PolarHBondContact O-OG 3.06Å; C685-S688 PolarHBondContact O-N 3.47Å; C685-S688 PolarHBondContact O-OG 2.89Å; I686-S688 PolarHBondContact O-N 3.49Å; S688-S693 VanDerWaalsContact C-CB 3.49Å; S688-S693 WeakPolarHBondContact O-CB 3.47Å; S688-S693 PolarHBondContact O-OG 3.42Å; S688-L695 WeakPolarHBondContact O-CB 3.49Å; S688-L695 PolarHBondContact O-N 2.94Å
689	F	71.2	Confident	82.5	Confident	116 Å²	116	51.7 Å²	51.7	51%	0.509	28%	0.283	S	S	.	.	H	α-helix	trans	-110.8	-37	-172.7	-172.9	-102.6	0	0	0	114.9	Y681 C685 S693 L695	Y681-F689 HydrophobicContact CD2-CD2 4.46Å; Y681-F689 HydrophobicContact CE2-CD2 4.12Å; C685-F689 PolarHBondContact O-N 2.99Å; F689-S693 VanDerWaalsContact C-CB 3.48Å; F689-S693 VanDerWaalsContact C-OG 3.26Å; F689-S693 PolarHBondContact O-OG 3.44Å; F689-S693 VanDerWaalsContact O-OG 3.07Å; F689-L695 HydrophobicContact CD2-CD2 3.77Å; F689-L695 HydrophobicContact CE2-CD2 4.18Å
690	G	64.2	Low	82	Confident	35 Å²	35	52.9 Å²	52.9	36%	0.361	29%	0.293	S	S	.	.	S	Bend	trans	-84.2	130.9	-167	0	0	0	0	0	116.4	I686 N692 S693	I686-G690 PolarHBondContact O-N 3.18Å; G690-N692 PolarHBondContact O-N 2.8Å; G690-S693 VanDerWaalsContact O-CB 3.24Å; G690-S693 WeakPolarHBondContact O-CB 3.16Å; G690-S693 PolarHBondContact O-N 3.18Å
691	G	67.1	Low	81.8	Confident	66 Å²	66	52.6 Å²	52.6	68%	0.68	29%	0.292	S	S	*	.	S	Bend	trans	60.8	-120.9	168.3	0	0	0	0	0	113.6	S693 W696	G691-S693 PolarHBondContact O-N 3.33Å; G691-W696 WeakPolarHBondContact O-CB 3.25Å
692	N	69.5	Low	81.6	Confident	117 Å²	117	51.8 Å²	51.8	63%	0.626	29%	0.289	S	S	*	.	S	Bend	trans	-82.1	36	178.9	-130.9	17.4	0	0	0	112	G690 W696 Q697	G690-N692 PolarHBondContact O-N 2.8Å; N692-W696 VanDerWaalsContact OD1-CD1 3.22Å; N692-W696 PolarHBondContact OD1-NE1 3.2Å; N692-Q697 VanDerWaalsContact CG-NE2 3.35Å; N692-Q697 PolarHBondContact OD1-NE2 2.96Å; N692-Q697 VanDerWaalsContact OD1-NE2 3.12Å
693	S	78.8	Confident	81.4	Confident	8 Å²	8	56.7 Å²	56.7	6%	0.056	31%	0.306	C	S	.	.			trans	-66.2	169.6	-173.1	58	0	0	0	0	113.6	Y687 S688 F689 G690 G691 L695 W696 Q697	Y687-S693 WeakPolarHBondContact O-CA 3.36Å; Y687-S693 WeakPolarHBondContact O-CB 3.42Å; S688-S693 VanDerWaalsContact C-CB 3.49Å; S688-S693 WeakPolarHBondContact O-CB 3.47Å; S688-S693 PolarHBondContact O-OG 3.42Å; F689-S693 VanDerWaalsContact C-CB 3.48Å; F689-S693 VanDerWaalsContact C-OG 3.26Å; F689-S693 PolarHBondContact O-OG 3.44Å; F689-S693 VanDerWaalsContact O-OG 3.07Å; G690-S693 VanDerWaalsContact O-CB 3.24Å; G690-S693 WeakPolarHBondContact O-CB 3.16Å; G690-S693 PolarHBondContact O-N 3.18Å; G691-S693 PolarHBondContact O-N 3.33Å; S693-L695 PolarHBondContact O-N 3.26Å; S693-W696 PolarHBondContact O-N 3.02Å; S693-W696 VanDerWaalsContact O-N 3.1Å; S693-W696 PolarHBondContact OG-N 3.07Å; S693-Q697 WeakPolarHBondContact O-CG 3.38Å; S693-Q697 PolarHBondContact O-N 2.82Å
694	A	85.2	Confident	81.4	Confident	6 Å²	6	55.6 Å²	55.6	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-53.6	-39.6	170.9	0	0	0	0	0	112.6	Y687 Q697 F698 P733 M754 L759	Y687-A694 PolarHBondContact O-N 3.39Å; A694-Q697 PolarHBondContact O-N 2.85Å; A694-F698 WeakPolarHBondContact O-CB 3.38Å; A694-F698 PolarHBondContact O-N 3.15Å; A694-P733 HydrophobicContact CB-CB 3.78Å; A694-P733 HydrophobicContact CB-CG 3.63Å; A694-M754 HydrophobicContact CB-CE 3.52Å; A694-L759 HydrophobicContact CB-CD2 4.21Å
695	L	88.9	Confident	81.7	Confident	10 Å²	10	50 Å²	50	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-48.1	175	179.7	63.9	0	0	0	111.7	L679 Y681 S688 F689 S693 Q697 F698 E699	L679-L695 HydrophobicContact CD2-CB 4.22Å; L679-L695 HydrophobicContact CD2-CD1 3.59Å; Y681-L695 HydrophobicContact CD1-CD1 4.48Å; Y681-L695 HydrophobicContact CD2-CD2 4.16Å; Y681-L695 HydrophobicContact CE2-CD2 3.99Å; S688-L695 WeakPolarHBondContact O-CB 3.49Å; S688-L695 PolarHBondContact O-N 2.94Å; F689-L695 HydrophobicContact CD2-CD2 3.77Å; F689-L695 HydrophobicContact CE2-CD2 4.18Å; S693-L695 PolarHBondContact O-N 3.26Å; L695-Q697 PolarHBondContact O-N 3.42Å; L695-F698 WeakPolarHBondContact O-CB 3.41Å; L695-F698 PolarHBondContact O-N 2.92Å; L695-E699 WeakPolarHBondContact O-CG 3.18Å; L695-E699 PolarHBondContact O-N 2.05Å
696	W	84.4	Confident	81.8	Confident	118 Å²	118	54.9 Å²	54.9	45%	0.447	28%	0.277	S	S	.	.	H	α-helix	trans	-60.6	-45	178.2	173.7	-99.9	0	0	0	112.4	G691 N692 S693 F698 E699 A700	G691-W696 WeakPolarHBondContact O-CB 3.25Å; N692-W696 VanDerWaalsContact OD1-CD1 3.22Å; N692-W696 PolarHBondContact OD1-NE1 3.2Å; S693-W696 PolarHBondContact O-N 3.02Å; S693-W696 VanDerWaalsContact O-N 3.1Å; S693-W696 PolarHBondContact OG-N 3.07Å; W696-F698 VanDerWaalsContact C-N 3.33Å; W696-F698 PolarHBondContact O-N 3.48Å; W696-E699 PolarHBondContact O-N 3.42Å; W696-A700 PolarHBondContact O-N 2.9Å
697	Q	87.1	Confident	81.9	Confident	27 Å²	27	53.4 Å²	53.4	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-38.7	177.5	-59.3	-57.5	-18.3	0	0	111.5	N692 S693 A694 L695 A700 T701 L759 F760	N692-Q697 VanDerWaalsContact CG-NE2 3.35Å; N692-Q697 PolarHBondContact OD1-NE2 2.96Å; N692-Q697 VanDerWaalsContact OD1-NE2 3.12Å; S693-Q697 WeakPolarHBondContact O-CG 3.38Å; S693-Q697 PolarHBondContact O-N 2.82Å; A694-Q697 PolarHBondContact O-N 2.85Å; L695-Q697 PolarHBondContact O-N 3.42Å; Q697-A700 WeakPolarHBondContact O-CB 3.45Å; Q697-A700 PolarHBondContact O-N 2.87Å; Q697-T701 PolarHBondContact O-N 3.39Å; Q697-T701 PolarHBondContact O-OG1 3.47Å; Q697-L759 HydrophobicContact CB-CD2 3.97Å; Q697-L759 HydrophobicContact CB-CG 4.13Å; Q697-L759 HydrophobicContact CG-CB 4.27Å; Q697-L759 HydrophobicContact CG-CD2 4.05Å; Q697-L759 HydrophobicContact CG-CG 4.32Å; Q697-F760 VanDerWaalsContact OE1-CB 3.29Å
698	F	91.6	Very high	82.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-43.3	174.7	-174.2	-97.5	0	0	0	112.1	I650 I677 L679 A694 L695 W696 A700 T701 A702 F713 A714 I735 L763	I650-F698 HydrophobicContact CD1-CD1 3.99Å; I650-F698 HydrophobicContact CD1-CE1 4.2Å; I650-F698 HydrophobicContact CG2-CE1 4.22Å; I677-F698 HydrophobicContact CG2-CE2 3.69Å; I677-F698 HydrophobicContact CG2-CZ 4.17Å; L679-F698 HydrophobicContact CB-CD1 3.91Å; L679-F698 HydrophobicContact CB-CD2 3.84Å; L679-F698 HydrophobicContact CB-CE1 3.78Å; L679-F698 HydrophobicContact CB-CE2 3.7Å; L679-F698 HydrophobicContact CB-CG 3.93Å; L679-F698 HydrophobicContact CB-CZ 3.67Å; L679-F698 HydrophobicContact CD2-CB 3.82Å; L679-F698 HydrophobicContact CD2-CD1 3.84Å; L679-F698 HydrophobicContact CD2-CD2 4.4Å; L679-F698 HydrophobicContact CD2-CE1 4.5Å; L679-F698 HydrophobicContact CD2-CG 3.78Å; L679-F698 HydrophobicContact CG-CG 4.37Å; A694-F698 WeakPolarHBondContact O-CB 3.38Å; A694-F698 PolarHBondContact O-N 3.15Å; L695-F698 WeakPolarHBondContact O-CB 3.41Å; L695-F698 PolarHBondContact O-N 2.92Å; W696-F698 VanDerWaalsContact C-N 3.33Å; W696-F698 PolarHBondContact O-N 3.48Å; F698-A700 VanDerWaalsContact C-N 3.34Å; F698-A700 PolarHBondContact O-N 3.37Å; F698-T701 WeakPolarHBondContact O-CB 3.44Å; F698-T701 PolarHBondContact O-N 3.25Å; F698-A702 PolarHBondContact O-N 3.04Å; F698-F713 HydrophobicContact CE1-CB 4.3Å; F698-F713 AromaticContact CE1-CD1 4Å; F698-F713 HydrophobicContact CE1-CD1 4Å; F698-F713 HydrophobicContact CE2-CD1 4Å; F698-F713 HydrophobicContact CE2-CE1 4.45Å; F698-F713 HydrophobicContact CZ-CB 4.34Å; F698-F713 AromaticContact CZ-CD1 3.65Å; F698-F713 HydrophobicContact CZ-CD1 3.65Å; F698-F713 HydrophobicContact CZ-CG 4.47Å; F698-A714 WeakPolarHBondContact CZ-O 3.35Å; F698-I735 HydrophobicContact CD2-CD1 3.98Å; F698-I735 HydrophobicContact CD2-CG1 4.22Å; F698-I735 HydrophobicContact CD2-CG2 4.47Å; F698-I735 HydrophobicContact CE2-CG2 4.15Å; F698-L763 HydrophobicContact CD2-CD2 4.19Å
699	E	89	Confident	81.8	Confident	40 Å²	40	53.7 Å²	53.7	19%	0.187	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-38.9	173.8	-67.4	-172.9	176.9	0	0	112.5	I650 L695 W696 T701 A702 R703 R715	I650-E699 HydrophobicContact CD1-CB 3.97Å; I650-E699 HydrophobicContact CD1-CG 3.56Å; L695-E699 WeakPolarHBondContact O-CG 3.18Å; L695-E699 PolarHBondContact O-N 2.05Å; W696-E699 PolarHBondContact O-N 3.42Å; E699-T701 VanDerWaalsContact C-N 3.32Å; E699-A702 PolarHBondContact O-N 2.73Å; E699-R703 VanDerWaalsContact C-NH1 3.35Å; E699-R703 WeakPolarHBondContact O-CG 3.49Å; E699-R703 PolarHBondContact O-N 2.98Å; E699-R703 PolarHBondContact O-NH1 3.45Å; E699-R703 IonicContact OE2-CZ 3.87Å; E699-R703 IonicContact OE2-NH1 3.88Å; E699-R703 IonicContact OE2-NH2 2.97Å; E699-R703 PolarHBondContact OE2-NH2 2.92Å; E699-R715 IonicContact OE1-NH1 2.83Å; E699-R715 PolarHBondContact OE1-NH1 2.92Å
700	A	84.7	Confident	82.3	Confident	24 Å²	24	55 Å²	55	20%	0.198	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-42	174	0	0	0	0	0	111.2	W696 Q697 F698 R703 F704 F760	W696-A700 PolarHBondContact O-N 2.9Å; Q697-A700 WeakPolarHBondContact O-CB 3.45Å; Q697-A700 PolarHBondContact O-N 2.87Å; F698-A700 VanDerWaalsContact C-N 3.34Å; F698-A700 PolarHBondContact O-N 3.37Å; A700-R703 WeakPolarHBondContact O-CB 3.37Å; A700-R703 PolarHBondContact O-N 2.96Å; A700-F704 PolarHBondContact O-N 3.2Å; A700-F760 HydrophobicContact CB-CD2 3.87Å; A700-F760 HydrophobicContact CB-CE2 3.96Å
701	T	89.2	Confident	83.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-43.3	175.2	-61.4	0	0	0	0	112.1	Q697 F698 E699 R703 F704 F705 F713 F760 L763 V764 I767	Q697-T701 PolarHBondContact O-N 3.39Å; Q697-T701 PolarHBondContact O-OG1 3.47Å; F698-T701 WeakPolarHBondContact O-CB 3.44Å; F698-T701 PolarHBondContact O-N 3.25Å; E699-T701 VanDerWaalsContact C-N 3.32Å; T701-R703 VanDerWaalsContact C-N 3.3Å; T701-R703 PolarHBondContact O-N 2.97Å; T701-F704 WeakPolarHBondContact O-CB 3.33Å; T701-F704 PolarHBondContact O-N 3.22Å; T701-F704 VanDerWaalsContact O-N 3.08Å; T701-F705 HydrophobicContact CG2-CD2 3.83Å; T701-F705 HydrophobicContact CG2-CE2 3.94Å; T701-F705 WeakPolarHBondContact O-CD2 3.32Å; T701-F705 PolarHBondContact O-N 3.45Å; T701-F713 HydrophobicContact CG2-CE1 3.9Å; T701-F713 HydrophobicContact CG2-CZ 4.08Å; T701-F760 VanDerWaalsContact OG1-CD2 3.3Å; T701-F760 WeakPolarHBondContact OG1-CD2 3.29Å; T701-L763 HydrophobicContact CG2-CD2 4.01Å; T701-L763 HydrophobicContact CG2-CG 4Å; T701-L763 WeakPolarHBondContact OG1-CD2 3.2Å; T701-V764 HydrophobicContact CG2-CG2 4.12Å; T701-I767 HydrophobicContact CG2-CD1 3.34Å
702	A	90.2	Very high	84.5	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-41.5	175	0	0	0	0	0	111.8	I650 F698 E699 F704 F705 K706 F713	I650-A702 HydrophobicContact CD1-CB 3.73Å; I650-A702 HydrophobicContact CG1-CB 3.55Å; F698-A702 PolarHBondContact O-N 3.04Å; E699-A702 PolarHBondContact O-N 2.73Å; A702-F704 VanDerWaalsContact C-N 3.32Å; A702-F704 PolarHBondContact O-N 3.06Å; A702-F705 CarbonylContact O-C 3.5Å; A702-F705 PolarHBondContact O-N 3.29Å; A702-K706 PolarHBondContact O-N 2.96Å; A702-K706 VanDerWaalsContact O-N 3.12Å; A702-F713 HydrophobicContact CB-CB 4.01Å; A702-F713 HydrophobicContact CB-CD1 3.69Å; A702-F713 HydrophobicContact CB-CD2 4.04Å; A702-F713 HydrophobicContact CB-CE1 4.15Å; A702-F713 HydrophobicContact CB-CE2 4.47Å; A702-F713 HydrophobicContact CB-CG 3.63Å
703	R	85.9	Confident	85.6	Confident	113 Å²	113	47.1 Å²	47.1	43%	0.426	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-37.7	173.8	-70.6	176	-162.1	103.5	2.9	112.4	L649 E699 A700 T701 K706	L649-R703 HydrophobicContact CD1-CG 3.65Å; L649-R703 HydrophobicContact CD2-CG 4.45Å; E699-R703 VanDerWaalsContact C-NH1 3.35Å; E699-R703 WeakPolarHBondContact O-CG 3.49Å; E699-R703 PolarHBondContact O-N 2.98Å; E699-R703 PolarHBondContact O-NH1 3.45Å; E699-R703 IonicContact OE2-CZ 3.87Å; E699-R703 IonicContact OE2-NH1 3.88Å; E699-R703 IonicContact OE2-NH2 2.97Å; E699-R703 PolarHBondContact OE2-NH2 2.92Å; A700-R703 WeakPolarHBondContact O-CB 3.37Å; A700-R703 PolarHBondContact O-N 2.96Å; T701-R703 VanDerWaalsContact C-N 3.3Å; T701-R703 PolarHBondContact O-N 2.97Å; R703-K706 VanDerWaalsContact O-CB 3.32Å; R703-K706 WeakPolarHBondContact O-CB 3.45Å; R703-K706 PolarHBondContact O-N 2.59Å
704	F	84.2	Confident	86.3	Confident	36 Å²	36	46.8 Å²	46.8	16%	0.158	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-42.8	177.2	177.1	-91.7	0	0	0	111.8	A700 T701 A702 K706 F760 V764 Y768 F784 Y828	A700-F704 PolarHBondContact O-N 3.2Å; T701-F704 WeakPolarHBondContact O-CB 3.33Å; T701-F704 PolarHBondContact O-N 3.22Å; T701-F704 VanDerWaalsContact O-N 3.08Å; A702-F704 VanDerWaalsContact C-N 3.32Å; A702-F704 PolarHBondContact O-N 3.06Å; F704-K706 VanDerWaalsContact C-N 3.32Å; F704-K706 PolarHBondContact O-N 3.48Å; F704-F760 HydrophobicContact CB-CE2 4.25Å; F704-F760 HydrophobicContact CB-CZ 4.15Å; F704-F760 HydrophobicContact CD2-CZ 4.34Å; F704-F760 HydrophobicContact CG-CZ 4.34Å; F704-V764 HydrophobicContact CD1-CG1 4.09Å; F704-V764 HydrophobicContact CD1-CG2 4.11Å; F704-V764 HydrophobicContact CE1-CG1 3.65Å; F704-V764 HydrophobicContact CE1-CG2 4.48Å; F704-V764 HydrophobicContact CG-CG2 4.48Å; F704-V764 HydrophobicContact CZ-CG1 4.19Å; F704-Y768 AromaticContact CE1-CE2 3.7Å; F704-Y768 HydrophobicContact CE1-CE2 3.7Å; F704-Y768 AromaticContact CE1-CZ 3.97Å; F704-Y768 WeakPolarHBondContact CE1-OH 3.27Å; F704-Y768 HydrophobicContact CZ-CE2 4.17Å; F704-F784 HydrophobicContact CD2-CD2 4.36Å; F704-F784 HydrophobicContact CD2-CE2 4.28Å; F704-F784 HydrophobicContact CE1-CD2 4.27Å; F704-F784 AromaticContact CE2-CD2 3.45Å; F704-F784 HydrophobicContact CE2-CD2 3.45Å; F704-F784 VanDerWaalsContact CE2-CD2 3.45Å; F704-F784 AromaticContact CE2-CE2 3.8Å; F704-F784 HydrophobicContact CE2-CE2 3.8Å; F704-F784 HydrophobicContact CE2-CG 4.48Å; F704-F784 HydrophobicContact CZ-CB 4.27Å; F704-F784 AromaticContact CZ-CD2 3.39Å; F704-F784 HydrophobicContact CZ-CD2 3.39Å; F704-F784 AromaticContact CZ-CE2 3.98Å; F704-F784 HydrophobicContact CZ-CE2 3.98Å; F704-F784 HydrophobicContact CZ-CG 4.03Å; F704-Y828 HydrophobicContact CD2-CD1 4.47Å; F704-Y828 HydrophobicContact CD2-CG 4.07Å; F704-Y828 AromaticContact CE2-CD1 3.8Å; F704-Y828 HydrophobicContact CE2-CD1 3.8Å; F704-Y828 AromaticContact CE2-CD2 3.81Å; F704-Y828 HydrophobicContact CE2-CD2 3.81Å; F704-Y828 HydrophobicContact CE2-CE1 4.24Å; F704-Y828 HydrophobicContact CE2-CE2 4.29Å; F704-Y828 AromaticContact CE2-CG 3.55Å; F704-Y828 HydrophobicContact CE2-CG 3.55Å
705	F	87.1	Confident	86.7	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.026	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	12.1	178.4	-75.2	-75.8	0	0	0	114.4	T701 A702 S707 N708 L711 F713 V764 I767 Y768 I771	T701-F705 HydrophobicContact CG2-CD2 3.83Å; T701-F705 HydrophobicContact CG2-CE2 3.94Å; T701-F705 WeakPolarHBondContact O-CD2 3.32Å; T701-F705 PolarHBondContact O-N 3.45Å; A702-F705 CarbonylContact O-C 3.5Å; A702-F705 PolarHBondContact O-N 3.29Å; F705-S707 PolarHBondContact O-N 3.37Å; F705-N708 HydrophobicContact CD1-CB 4.5Å; F705-N708 WeakPolarHBondContact O-CB 3.32Å; F705-N708 PolarHBondContact O-N 3.16Å; F705-L711 HydrophobicContact CB-CD1 3.86Å; F705-L711 HydrophobicContact CD1-CD1 3.56Å; F705-L711 HydrophobicContact CD2-CD1 4.49Å; F705-L711 HydrophobicContact CE1-CD1 4.2Å; F705-L711 HydrophobicContact CG-CD1 3.73Å; F705-F713 HydrophobicContact CB-CE2 3.73Å; F705-F713 HydrophobicContact CB-CZ 3.98Å; F705-F713 HydrophobicContact CD2-CE2 4.48Å; F705-F713 AromaticContact CD2-CZ 3.87Å; F705-F713 HydrophobicContact CD2-CZ 3.87Å; F705-F713 HydrophobicContact CG-CE2 4.41Å; F705-F713 HydrophobicContact CG-CZ 4.24Å; F705-V764 HydrophobicContact CE2-CB 4.35Å; F705-V764 HydrophobicContact CE2-CG1 4.08Å; F705-V764 HydrophobicContact CE2-CG2 4.14Å; F705-V764 HydrophobicContact CZ-CG1 4Å; F705-I767 HydrophobicContact CD2-CD1 4.25Å; F705-I767 HydrophobicContact CD2-CG2 4.24Å; F705-I767 HydrophobicContact CE1-CG2 3.98Å; F705-I767 HydrophobicContact CE2-CB 3.92Å; F705-I767 HydrophobicContact CE2-CD1 3.87Å; F705-I767 HydrophobicContact CE2-CG2 3.66Å; F705-I767 HydrophobicContact CZ-CB 3.94Å; F705-I767 HydrophobicContact CZ-CG2 3.52Å; F705-Y768 HydrophobicContact CE1-CD1 4.08Å; F705-Y768 HydrophobicContact CE1-CD2 4.17Å; F705-Y768 AromaticContact CE1-CE1 3.71Å; F705-Y768 HydrophobicContact CE1-CE1 3.71Å; F705-Y768 AromaticContact CE1-CE2 3.84Å; F705-Y768 HydrophobicContact CE1-CE2 3.84Å; F705-Y768 HydrophobicContact CE1-CG 4.29Å; F705-Y768 AromaticContact CE1-CZ 3.58Å; F705-Y768 HydrophobicContact CZ-CD1 4.38Å; F705-Y768 AromaticContact CZ-CD2 3.74Å; F705-Y768 HydrophobicContact CZ-CD2 3.74Å; F705-Y768 HydrophobicContact CZ-CE1 4.28Å; F705-Y768 AromaticContact CZ-CE2 3.66Å; F705-Y768 HydrophobicContact CZ-CE2 3.66Å; F705-Y768 HydrophobicContact CZ-CG 4.12Å; F705-Y768 AromaticContact CZ-CZ 3.93Å; F705-I771 HydrophobicContact CE1-CD1 4.37Å
706	K	83.7	Confident	86.9	Confident	132 Å²	132	48.1 Å²	48.1	57%	0.574	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-34.2	-176.2	-175.3	-178.7	-171.5	178.8	0	113.6	L649 A702 R703 F704	L649-K706 HydrophobicContact CD2-CB 3.86Å; L649-K706 HydrophobicContact CD2-CD 3.78Å; L649-K706 HydrophobicContact CD2-CG 3.62Å; A702-K706 PolarHBondContact O-N 2.96Å; A702-K706 VanDerWaalsContact O-N 3.12Å; R703-K706 VanDerWaalsContact O-CB 3.32Å; R703-K706 WeakPolarHBondContact O-CB 3.45Å; R703-K706 PolarHBondContact O-N 2.59Å; F704-K706 VanDerWaalsContact C-N 3.32Å; F704-K706 PolarHBondContact O-N 3.48Å
707	S	77.8	Confident	87.2	Confident	102 Å²	102	43.2 Å²	43.2	71%	0.713	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.5	-179.9	55.1	0	0	0	0	114.3	F705 Q709	F705-S707 PolarHBondContact O-N 3.37Å; S707-Q709 PolarHBondContact O-N 2.94Å
708	N	81.1	Confident	87.4	Confident	17 Å²	17	43.8 Å²	43.8	9%	0.091	21%	0.211	C	C	.	.			trans	-82.2	109	179.4	-174.6	-37.4	0	0	0	109.6	F705 Y710 L711 E777	F705-N708 HydrophobicContact CD1-CB 4.5Å; F705-N708 WeakPolarHBondContact O-CB 3.32Å; F705-N708 PolarHBondContact O-N 3.16Å; N708-Y710 VanDerWaalsContact C-N 3.27Å; N708-Y710 PolarHBondContact O-N 3.49Å; N708-Y710 WeakPolarHBondContact OD1-CA 3.28Å; N708-Y710 WeakPolarHBondContact OD1-CB 3.04Å; N708-Y710 PolarHBondContact OD1-N 3.12Å; N708-L711 HydrophobicContact CB-CD1 4.11Å; N708-L711 HydrophobicContact CB-CG 4.31Å; N708-L711 PolarHBondContact OD1-N 3.42Å; N708-E777 PolarHBondContact ND2-OE1 2.93Å
709	Q	77.7	Confident	87.2	Confident	153 Å²	153	45.5 Å²	45.5	72%	0.715	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.1	-177.6	-63.4	-176.2	-7.1	0	0	113.7	K674 S707	K674-Q709 WeakPolarHBondContact CD-O 2.97Å; K674-Q709 WeakPolarHBondContact CE-O 3.42Å; K674-Q709 WeakPolarHBondContact CG-O 3.05Å; S707-Q709 PolarHBondContact O-N 2.94Å
710	Y	81.3	Confident	87.1	Confident	143 Å²	143	49.3 Å²	49.3	56%	0.561	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.2	-179.9	-52.9	-76	0	0	0	112.9	K674 N675 N708	K674-Y710 CarbonylContact C-O 3.56Å; K674-Y710 VanDerWaalsContact CA-O 3.24Å; K674-Y710 WeakPolarHBondContact CA-O 3.23Å; N675-Y710 PolarHBondContact N-O 2.9Å; N708-Y710 VanDerWaalsContact C-N 3.27Å; N708-Y710 PolarHBondContact O-N 3.49Å; N708-Y710 WeakPolarHBondContact OD1-CA 3.28Å; N708-Y710 WeakPolarHBondContact OD1-CB 3.04Å; N708-Y710 PolarHBondContact OD1-N 3.12Å
711	L	87.1	Confident	87.3	Confident	11 Å²	11	48.3 Å²	48.3	6%	0.058	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139	174.6	-65.8	178	0	0	0	111.2	N675 I677 F705 N708 F713 I767 I771	N675-L711 HydrophobicContact CB-CD2 4.05Å; I677-L711 HydrophobicContact CD1-CD1 4.25Å; I677-L711 HydrophobicContact CD1-CD2 4.01Å; F705-L711 HydrophobicContact CB-CD1 3.86Å; F705-L711 HydrophobicContact CD1-CD1 3.56Å; F705-L711 HydrophobicContact CD2-CD1 4.49Å; F705-L711 HydrophobicContact CE1-CD1 4.2Å; F705-L711 HydrophobicContact CG-CD1 3.73Å; N708-L711 HydrophobicContact CB-CD1 4.11Å; N708-L711 HydrophobicContact CB-CG 4.31Å; N708-L711 PolarHBondContact OD1-N 3.42Å; L711-F713 HydrophobicContact CB-CE2 4.11Å; L711-F713 HydrophobicContact CD1-CE2 4.2Å; L711-I767 HydrophobicContact CD1-CG2 3.98Å; L711-I771 HydrophobicContact CD1-CD1 3.6Å; L711-I771 HydrophobicContact CD2-CD1 3.74Å; L711-I771 HydrophobicContact CD2-CG1 3.94Å; L711-I771 HydrophobicContact CG-CD1 4Å
712	L	89	Confident	87.3	Confident	32 Å²	32	50 Å²	50	17%	0.168	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.3	170.2	178.7	60.8	0	0	0	108.5	L651 L662 K674 N675 L676 I677	L651-L712 HydrophobicContact CB-CD1 4.48Å; L662-L712 HydrophobicContact CD2-CD2 4Å; K674-L712 HydrophobicContact CB-CB 3.87Å; K674-L712 HydrophobicContact CD-CB 4.13Å; N675-L712 PolarHBondContact O-N 2.86Å; L676-L712 CarbonylContact C-O 3.42Å; L676-L712 WeakPolarHBondContact CA-O 3.45Å; L676-L712 HydrophobicContact CD1-CB 4.47Å; L676-L712 HydrophobicContact CD1-CD2 4.18Å; L676-L712 HydrophobicContact CD1-CG 4.11Å; I677-L712 PolarHBondContact N-O 2.94Å
713	F	93.2	Very high	87.4	Confident	10 Å²	10	50.3 Å²	50.3	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.6	171.5	-72.6	-102.5	0	0	0	109.2	I650 L651 I677 F698 T701 A702 F705 L711 I767	I650-F713 WeakPolarHBondContact CA-O 3.46Å; I650-F713 HydrophobicContact CG1-CB 3.97Å; L651-F713 PolarHBondContact N-O 2.92Å; I677-F713 HydrophobicContact CB-CD1 4.12Å; I677-F713 HydrophobicContact CB-CE1 4.19Å; I677-F713 HydrophobicContact CD1-CD1 4.3Å; I677-F713 HydrophobicContact CD1-CD2 4.42Å; I677-F713 HydrophobicContact CD1-CE1 3.66Å; I677-F713 HydrophobicContact CD1-CE2 3.79Å; I677-F713 HydrophobicContact CD1-CZ 3.37Å; I677-F713 HydrophobicContact CG2-CD1 4.23Å; I677-F713 HydrophobicContact CG2-CE1 4.11Å; I677-F713 WeakPolarHBondContact O-CA 3.29Å; F698-F713 HydrophobicContact CE1-CB 4.3Å; F698-F713 AromaticContact CE1-CD1 4Å; F698-F713 HydrophobicContact CE1-CD1 4Å; F698-F713 HydrophobicContact CE2-CD1 4Å; F698-F713 HydrophobicContact CE2-CE1 4.45Å; F698-F713 HydrophobicContact CZ-CB 4.34Å; F698-F713 AromaticContact CZ-CD1 3.65Å; F698-F713 HydrophobicContact CZ-CD1 3.65Å; F698-F713 HydrophobicContact CZ-CG 4.47Å; T701-F713 HydrophobicContact CG2-CE1 3.9Å; T701-F713 HydrophobicContact CG2-CZ 4.08Å; A702-F713 HydrophobicContact CB-CB 4.01Å; A702-F713 HydrophobicContact CB-CD1 3.69Å; A702-F713 HydrophobicContact CB-CD2 4.04Å; A702-F713 HydrophobicContact CB-CE1 4.15Å; A702-F713 HydrophobicContact CB-CE2 4.47Å; A702-F713 HydrophobicContact CB-CG 3.63Å; F705-F713 HydrophobicContact CB-CE2 3.73Å; F705-F713 HydrophobicContact CB-CZ 3.98Å; F705-F713 HydrophobicContact CD2-CE2 4.48Å; F705-F713 AromaticContact CD2-CZ 3.87Å; F705-F713 HydrophobicContact CD2-CZ 3.87Å; F705-F713 HydrophobicContact CG-CE2 4.41Å; F705-F713 HydrophobicContact CG-CZ 4.24Å; L711-F713 HydrophobicContact CB-CE2 4.11Å; L711-F713 HydrophobicContact CD1-CE2 4.2Å; F713-I767 HydrophobicContact CE1-CD1 4.06Å; F713-I767 HydrophobicContact CZ-CD1 4.02Å
714	A	93.7	Very high	87.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.2	173.2	0	0	0	0	0	111	L651 V653 L662 L676 I677 L678 L679 F698	L651-A714 HydrophobicContact CB-CB 4.22Å; L651-A714 CarbonylContact O-C 3.52Å; L651-A714 WeakPolarHBondContact O-CA 3.3Å; L651-A714 WeakPolarHBondContact O-CB 3.04Å; V653-A714 HydrophobicContact CG2-CB 4.34Å; L662-A714 HydrophobicContact CD1-CB 4.42Å; L676-A714 HydrophobicContact CD1-CB 3.67Å; I677-A714 PolarHBondContact O-N 3.06Å; L678-A714 WeakPolarHBondContact CA-O 3.29Å; L678-A714 HydrophobicContact CD1-CB 3.92Å; L679-A714 PolarHBondContact N-O 3.41Å; F698-A714 WeakPolarHBondContact CZ-O 3.35Å
715	R	93.2	Very high	87.5	Confident	45 Å²	45	54.6 Å²	54.6	17%	0.17	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.1	174.3	67.1	-179.4	-177.9	-165.5	-5.2	111.9	I650 L651 D652 V653 L679 Y681 E699	I650-R715 HydrophobicContact CG2-CB 4.2Å; I650-R715 HydrophobicContact CG2-CG 3.84Å; L651-R715 PolarHBondContact O-N 3.48Å; D652-R715 WeakPolarHBondContact OD1-CG 3.38Å; D652-R715 IonicContact OD1-CZ 3.69Å; D652-R715 VanDerWaalsContact OD1-CZ 3.28Å; D652-R715 IonicContact OD1-NE 3.4Å; D652-R715 PolarHBondContact OD1-NE 2.97Å; D652-R715 IonicContact OD1-NH2 3.28Å; D652-R715 PolarHBondContact OD1-NH2 3.32Å; D652-R715 IonicContact OD2-NH2 2.92Å; D652-R715 PolarHBondContact OD2-NH2 2.92Å; V653-R715 WeakPolarHBondContact CB-O 3.5Å; V653-R715 WeakPolarHBondContact CG2-O 3.32Å; V653-R715 PolarHBondContact N-O 3.35Å; L679-R715 HydrophobicContact CB-CB 4.2Å; L679-R715 CarbonylContact O-C 3.49Å; L679-R715 VanDerWaalsContact O-CA 3.27Å; L679-R715 WeakPolarHBondContact O-CA 3.42Å; Y681-R715 HydrophobicContact CD1-CB 4.17Å; Y681-R715 HydrophobicContact CE1-CB 4Å; Y681-R715 HydrophobicContact CE1-CG 3.91Å; E699-R715 IonicContact OE1-NH1 2.83Å; E699-R715 PolarHBondContact OE1-NH1 2.92Å
716	V	92.9	Very high	87.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121.7	177.7	57.3	0	0	0	0	110	V653 L678 L679 Y680 Y681 V718 M721 L723	V653-V716 HydrophobicContact CB-CB 4.01Å; V653-V716 HydrophobicContact CB-CG2 4.34Å; V653-V716 HydrophobicContact CG1-CB 4.39Å; V653-V716 HydrophobicContact CG1-CG2 4.3Å; V653-V716 HydrophobicContact CG2-CB 4.2Å; L678-V716 HydrophobicContact CD1-CG1 4.18Å; L678-V716 HydrophobicContact CG-CG1 4.48Å; L679-V716 PolarHBondContact O-N 3.44Å; Y680-V716 HydrophobicContact CD1-CG1 3.32Å; Y680-V716 HydrophobicContact CD2-CG1 4.09Å; Y680-V716 HydrophobicContact CE1-CG1 3.67Å; Y680-V716 HydrophobicContact CE2-CG1 4.36Å; Y680-V716 HydrophobicContact CG-CG1 3.56Å; Y681-V716 VanDerWaalsContact CD1-O 3.25Å; Y681-V716 WeakPolarHBondContact CD1-O 3.43Å; Y681-V716 PolarHBondContact N-O 3.27Å; V716-V718 HydrophobicContact CG2-CG1 4.48Å; V716-V718 PolarHBondContact O-N 3.23Å; V716-M721 HydrophobicContact CG2-SD 4Å; V716-L723 HydrophobicContact CG2-CD1 4.23Å
717	D	91.7	Very high	87.9	Confident	14 Å²	14	54.1 Å²	54.1	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	95.5	174.1	-170.7	-9.8	0	0	0	109.4	Y681 S719 K720 M721	Y681-D717 HydrophobicContact CE1-CB 3.83Å; Y681-D717 HydrophobicContact CE2-CB 4.2Å; Y681-D717 CarbonylContact O-C 3.5Å; Y681-D717 WeakPolarHBondContact O-CA 3.24Å; D717-S719 PolarHBondContact O-N 3.34Å; D717-S719 WeakPolarHBondContact OD1-CB 3.39Å; D717-S719 PolarHBondContact OD1-N 3.3Å; D717-S719 PolarHBondContact OD1-OG 2.84Å; D717-S719 PolarHBondContact OD2-OG 3.44Å; D717-K720 PolarHBondContact O-N 2.85Å; D717-K720 VanDerWaalsContact O-N 3.12Å; D717-K720 WeakPolarHBondContact OD2-CD 3.15Å; D717-K720 WeakPolarHBondContact OD2-CE 3.38Å; D717-K720 IonicContact OD2-NZ 3.02Å; D717-M721 PolarHBondContact O-N 3.44Å
718	V	91.2	Very high	88.5	Confident	40 Å²	40	56.6 Å²	56.6	24%	0.242	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.1	-179.5	-59.4	0	0	0	0	112.8	Y680 Y681 V716 K720 L723 V732	Y680-V718 HydrophobicContact CD1-CG1 3.83Å; Y681-V718 WeakPolarHBondContact O-CG2 3.49Å; Y681-V718 PolarHBondContact O-N 3.03Å; V716-V718 HydrophobicContact CG2-CG1 4.48Å; V716-V718 PolarHBondContact O-N 3.23Å; V718-K720 PolarHBondContact O-N 3.4Å; V718-L723 HydrophobicContact CG1-CD1 4.2Å; V718-V732 HydrophobicContact CG2-CG1 4.17Å; V718-V732 HydrophobicContact CG2-CG2 3.88Å
719	S	87.6	Confident	89	Confident	36 Å²	36	57.5 Å²	57.5	25%	0.252	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.7	172.4	71.2	0	0	0	0	113	S682 S683 D717	S682-S719 WeakPolarHBondContact OG-CB 3Å; S683-S719 PolarHBondContact N-OG 3.43Å; S683-S719 WeakPolarHBondContact OG-CB 3.43Å; S683-S719 PolarHBondContact OG-OG 3.49Å; D717-S719 PolarHBondContact O-N 3.34Å; D717-S719 WeakPolarHBondContact OD1-CB 3.39Å; D717-S719 PolarHBondContact OD1-N 3.3Å; D717-S719 PolarHBondContact OD1-OG 2.84Å; D717-S719 PolarHBondContact OD2-OG 3.44Å
720	K	87.1	Confident	89.5	Confident	119 Å²	119	59.1 Å²	59.1	52%	0.517	27%	0.266	S	S	.	.	S	Bend	trans	-121.8	1.4	-177.4	-61.1	179.1	-173.4	165.4	0	113.4	Y631 P632 D717 V718	Y631-K720 CarbonylContact C-O 3.53Å; Y631-K720 VanDerWaalsContact C-O 3.24Å; Y631-K720 WeakPolarHBondContact CA-O 3.37Å; P632-K720 HydrophobicContact CG-CB 4.23Å; D717-K720 PolarHBondContact O-N 2.85Å; D717-K720 VanDerWaalsContact O-N 3.12Å; D717-K720 WeakPolarHBondContact OD2-CD 3.15Å; D717-K720 WeakPolarHBondContact OD2-CE 3.38Å; D717-K720 IonicContact OD2-NZ 3.02Å; V718-K720 PolarHBondContact O-N 3.4Å
721	M	89.2	Confident	89.8	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.015	26%	0.261	C	S	.	.			trans	-141.2	124.1	-175	-171	178.6	-62.7	0	0	110.9	R630 P632 V653 K654 P656 V716 D717 L723	R630-M721 CarbonylContact O-C 3.55Å; R630-M721 VanDerWaalsContact O-CA 3.29Å; R630-M721 WeakPolarHBondContact O-CA 3.45Å; P632-M721 VanDerWaalsContact CD-CE 3.43Å; P632-M721 HydrophobicContact CG-CE 3.98Å; V653-M721 HydrophobicContact CG1-CE 4.06Å; V653-M721 HydrophobicContact CG1-SD 4.17Å; V653-M721 WeakPolarHBondContact O-CE 3.32Å; K654-M721 VanDerWaalsContact C-CE 3.4Å; P656-M721 HydrophobicContact CG-CG 4.3Å; P656-M721 HydrophobicContact CG-SD 4.31Å; V716-M721 HydrophobicContact CG2-SD 4Å; D717-M721 PolarHBondContact O-N 3.44Å; M721-L723 HydrophobicContact CG-CD2 3.97Å; M721-L723 HydrophobicContact CG-CG 4.49Å; M721-L723 HydrophobicContact SD-CD2 3.6Å; M721-L723 VanDerWaalsContact SD-CD2 3.6Å
722	D	89.2	Confident	89.9	Confident	37 Å²	37	58 Å²	58	20%	0.198	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-87.2	122.7	168.7	-60.9	-35.4	0	0	0	109.1	L629 R630	L629-D722 HydrophobicContact CB-CB 4.17Å; L629-D722 HydrophobicContact CD2-CB 3.88Å; R630-D722 HydrophobicContact CB-CB 4.34Å; R630-D722 WeakPolarHBondContact CB-OD2 3.24Å; R630-D722 WeakPolarHBondContact CD-OD2 3.5Å; R630-D722 WeakPolarHBondContact CG-OD2 3.34Å; R630-D722 IonicContact CZ-OD1 2.65Å; R630-D722 IonicContact CZ-OD2 3.42Å; R630-D722 PolarHBondContact N-OD2 2.02Å; R630-D722 VanDerWaalsContact N-OD2 3.15Å; R630-D722 VanDerWaalsContact NE-CG 3.25Å; R630-D722 IonicContact NE-OD1 3.56Å; R630-D722 PolarHBondContact NE-OD1 2.98Å; R630-D722 VanDerWaalsContact NE-OD1 3.11Å; R630-D722 IonicContact NE-OD2 3.73Å; R630-D722 PolarHBondContact NE-OD2 2.58Å; R630-D722 IonicContact NH2-OD1 3.28Å; R630-D722 PolarHBondContact NH2-OD1 3.36Å; R630-D722 IonicContact NH2-OD2 3.47Å; R630-D722 PolarHBondContact O-N 3.37Å
723	L	90.7	Very high	90	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.037	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-96.7	144.4	178.7	-65.4	176.3	0	0	0	110.5	P656 L659 Y680 V716 V718 M721 L727 R728	P656-L723 HydrophobicContact CB-CD2 4.39Å; P656-L723 HydrophobicContact CG-CD2 4.33Å; L659-L723 HydrophobicContact CD2-CD1 4.1Å; L659-L723 HydrophobicContact CD2-CD2 3.77Å; Y680-L723 HydrophobicContact CD1-CD1 4.1Å; Y680-L723 HydrophobicContact CE1-CD1 3.52Å; V716-L723 HydrophobicContact CG2-CD1 4.23Å; V718-L723 HydrophobicContact CG1-CD1 4.2Å; M721-L723 HydrophobicContact CG-CD2 3.97Å; M721-L723 HydrophobicContact CG-CG 4.49Å; M721-L723 HydrophobicContact SD-CD2 3.6Å; M721-L723 VanDerWaalsContact SD-CD2 3.6Å; L723-L727 HydrophobicContact CB-CB 4.16Å; L723-R728 HydrophobicContact CB-CG 4.13Å; L723-R728 PolarHBondContact O-NE 3.14Å; L723-R728 PolarHBondContact O-NH2 3.06Å
724	P	88	Confident	90	Very high	27 Å²	27	57.4 Å²	57.4	18%	0.175	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-52.4	149.6	165.6	-24.2	32.7	0	0	0	111.1	L629 P656 H726 L727 R728	L629-P724 HydrophobicContact CD1-CG 3.8Å; P656-P724 HydrophobicContact CB-CG 4.27Å; P724-H726 WeakPolarHBondContact CB-CE1 3.32Å; P724-H726 PolarHBondContact O-N 2.88Å; P724-L727 HydrophobicContact CG-CD1 4.38Å; P724-L727 PolarHBondContact O-N 3.06Å; P724-R728 PolarHBondContact O-N 2.94Å
725	W	86.1	Confident	90.1	Very high	213 Å²	213	57.4 Å²	57.4	81%	0.807	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-51.1	-36.6	-174.6	67.5	-94.9	0	0	0	113.7	L727 R728	W725-L727 VanDerWaalsContact C-N 3.29Å; W725-L727 PolarHBondContact O-N 3.38Å; W725-R728 PolarHBondContact O-N 3.35Å
726	H	87.3	Confident	90.2	Very high	110 Å²	110	56 Å²	56	51%	0.509	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-75.2	-12.8	-179.3	60.4	-90.8	0	0	0	114.3	P724	P724-H726 WeakPolarHBondContact CB-CE1 3.32Å; P724-H726 PolarHBondContact O-N 2.88Å
727	L	90.4	Very high	90.1	Very high	18 Å²	18	56.4 Å²	56.4	9%	0.094	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-105.8	-3.4	175.2	-62.2	-178.3	0	0	0	112.9	L659 I663 Y680 L723 P724 W725	L659-L727 HydrophobicContact CB-CD1 4.47Å; L659-L727 HydrophobicContact CD2-CB 4.34Å; L659-L727 HydrophobicContact CD2-CD1 4.04Å; L659-L727 HydrophobicContact CG-CD1 4.2Å; I663-L727 HydrophobicContact CD1-CD2 3.9Å; Y680-L727 VanDerWaalsContact CE1-O 3.31Å; Y680-L727 WeakPolarHBondContact CE1-O 3.18Å; Y680-L727 PolarHBondContact OH-O 3.09Å; Y680-L727 VanDerWaalsContact OH-O 3.08Å; L723-L727 HydrophobicContact CB-CB 4.16Å; P724-L727 HydrophobicContact CG-CD1 4.38Å; P724-L727 PolarHBondContact O-N 3.06Å; W725-L727 VanDerWaalsContact C-N 3.29Å; W725-L727 PolarHBondContact O-N 3.38Å
728	R	91.3	Very high	90	Very high	154 Å²	154	56.7 Å²	56.7	58%	0.581	27%	0.269	S	S	*	.			trans	-74.6	147.2	178.2	-69	-179.5	-170.7	177.2	-1.5	110.4	L723 P724 W725	L723-R728 HydrophobicContact CB-CG 4.13Å; L723-R728 PolarHBondContact O-NE 3.14Å; L723-R728 PolarHBondContact O-NH2 3.06Å; P724-R728 PolarHBondContact O-N 2.94Å; W725-R728 PolarHBondContact O-N 3.35Å
729	V	91.2	Very high	89.8	Confident	36 Å²	36	56.1 Å²	56.1	22%	0.218	27%	0.266	C	S	.	.			trans	-108.7	147.9	172.3	-65	0	0	0	0	109.6	Y680 N731 V732 C734 I736	Y680-V729 HydrophobicContact CD1-CB 4.45Å; Y680-V729 HydrophobicContact CD1-CG1 3.85Å; Y680-V729 HydrophobicContact CD1-CG2 3.72Å; Y680-V729 HydrophobicContact CD2-CG1 3.73Å; Y680-V729 HydrophobicContact CE1-CG1 3.82Å; Y680-V729 HydrophobicContact CE1-CG2 4.38Å; Y680-V729 HydrophobicContact CE2-CG1 3.73Å; Y680-V729 HydrophobicContact CG-CB 4.47Å; Y680-V729 HydrophobicContact CG-CG1 3.81Å; Y680-V729 HydrophobicContact CG-CG2 3.79Å; V729-N731 VanDerWaalsContact C-N 3.34Å; V729-N731 WeakPolarHBondContact CG2-O 3.38Å; V729-V732 HydrophobicContact CG2-CG2 3.9Å; V729-C734 HydrophobicContact CB-CB 4.29Å; V729-C734 HydrophobicContact CG1-CB 4.38Å; V729-C734 HydrophobicContact CG2-CB 4.23Å; V729-I736 HydrophobicContact CG1-CD1 3.95Å
730	E	87.6	Confident	89.2	Confident	187 Å²	187	56 Å²	56	87%	0.874	26%	0.264	S	S	*	.	S	Bend	trans	-68.4	-34.9	-179.3	-171.2	178	-176.6	0	0	112.3
731	N	88	Confident	88.4	Confident	84 Å²	84	55.4 Å²	55.4	45%	0.449	27%	0.266	S	S	.	.	S	Bend	trans	-132.3	149.4	-175.1	-68.5	-60.5	0	0	0	111.7	V729 C734 M751	V729-N731 VanDerWaalsContact C-N 3.34Å; V729-N731 WeakPolarHBondContact CG2-O 3.38Å; N731-C734 VanDerWaalsContact O-CB 3.26Å; N731-C734 WeakPolarHBondContact O-CB 3.48Å; N731-M751 HydrophobicContact CB-CE 3.2Å
732	V	89.1	Confident	87.4	Confident	46 Å²	46	62.5 Å²	62.5	28%	0.279	29%	0.293	S	S	.	.	S	Bend	trans	-132.7	127.5	177.3	179.6	0	0	0	0	109.3	V718 V729	V718-V732 HydrophobicContact CG2-CG1 4.17Å; V718-V732 HydrophobicContact CG2-CG2 3.88Å; V729-V732 HydrophobicContact CG2-CG2 3.9Å
733	P	92.1	Very high	86.3	Confident	15 Å²	15	62.6 Å²	62.6	10%	0.097	30%	0.296	C	S	.	.	S	Bend	cis	-76.3	151.1	6.1	28.6	-31.8	0	0	0	114.6	L679 Y680 A694 M754	L679-P733 HydrophobicContact CD1-CB 4.24Å; Y680-P733 VanDerWaalsContact O-CA 3.24Å; Y680-P733 WeakPolarHBondContact O-CA 3.26Å; A694-P733 HydrophobicContact CB-CB 3.78Å; A694-P733 HydrophobicContact CB-CG 3.63Å; P733-M754 HydrophobicContact CB-CE 3.48Å; P733-M754 VanDerWaalsContact CB-CE 3.48Å; P733-M754 HydrophobicContact CG-CE 3.32Å
734	C	93.3	Very high	85.2	Confident	14 Å²	14	67 Å²	67	10%	0.095	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135	175.6	178.7	0	0	0	0	110.1	Y680 V729 N731	Y680-C734 PolarHBondContact N-O 3.09Å; Y680-C734 PolarHBondContact O-N 3.33Å; Y680-C734 VanDerWaalsContact O-N 3.07Å; V729-C734 HydrophobicContact CB-CB 4.29Å; V729-C734 HydrophobicContact CG1-CB 4.38Å; V729-C734 HydrophobicContact CG2-CB 4.23Å; N731-C734 VanDerWaalsContact O-CB 3.26Å; N731-C734 WeakPolarHBondContact O-CB 3.48Å
735	I	94.9	Very high	84.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.5	177.1	-60.2	168.8	0	0	0	108.3	I677 L678 L679 F698 F749 M754 L763	I677-I735 HydrophobicContact CG2-CG2 4.03Å; L678-I735 WeakPolarHBondContact O-CA 3.06Å; L679-I735 HydrophobicContact CB-CG1 4.5Å; L679-I735 HydrophobicContact CD1-CD1 4.33Å; L679-I735 HydrophobicContact CD1-CG1 3.63Å; F698-I735 HydrophobicContact CD2-CD1 3.98Å; F698-I735 HydrophobicContact CD2-CG1 4.22Å; F698-I735 HydrophobicContact CD2-CG2 4.47Å; F698-I735 HydrophobicContact CE2-CG2 4.15Å; I735-F749 HydrophobicContact CB-CB 3.89Å; I735-F749 HydrophobicContact CG2-CB 4.33Å; I735-F749 WeakPolarHBondContact O-CB 3.21Å; I735-F749 PolarHBondContact O-N 3.21Å; I735-M754 HydrophobicContact CD1-CE 4.4Å; I735-M754 HydrophobicContact CD1-SD 3.77Å; I735-M754 HydrophobicContact CG1-SD 4.21Å; I735-L763 HydrophobicContact CD1-CD1 3.95Å; I735-L763 HydrophobicContact CD1-CD2 3.81Å; I735-L763 HydrophobicContact CG2-CD1 4.01Å
736	I	94.3	Very high	84.8	Confident	15 Å²	15	65.4 Å²	65.4	8%	0.077	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134	-179	-50.5	-177.4	0	0	0	109.3	L678 Y680 V729 F738 V748	L678-I736 PolarHBondContact N-O 3Å; L678-I736 PolarHBondContact O-N 3.45Å; Y680-I736 HydrophobicContact CD2-CD1 4.42Å; Y680-I736 HydrophobicContact CE2-CD1 3.91Å; Y680-I736 HydrophobicContact CE2-CG1 4.44Å; V729-I736 HydrophobicContact CG1-CD1 3.95Å; I736-F738 HydrophobicContact CB-CD2 4.33Å; I736-F738 HydrophobicContact CB-CE2 3.68Å; I736-F738 HydrophobicContact CB-CZ 4.19Å; I736-F738 HydrophobicContact CD1-CZ 4.46Å; I736-F738 HydrophobicContact CG2-CD2 3.94Å; I736-F738 HydrophobicContact CG2-CE1 4.24Å; I736-F738 HydrophobicContact CG2-CE2 3.43Å; I736-F738 VanDerWaalsContact CG2-CE2 3.43Å; I736-F738 HydrophobicContact CG2-CZ 3.6Å; I736-V748 HydrophobicContact CD1-CG2 4.4Å; I736-V748 HydrophobicContact CG1-CG2 4.24Å; I736-V748 HydrophobicContact CG2-CG2 4.47Å
737	Y	92.3	Very high	85	Confident	9 Å²	9	61.3 Å²	61.3	4%	0.035	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.7	169.9	172.9	-91.5	0	0	0	109.8	N675 L676 I677 P739 S746 S747 Q770	N675-Y737 HydrophobicContact CB-CE2 3.65Å; N675-Y737 WeakPolarHBondContact CB-OH 3Å; N675-Y737 VanDerWaalsContact CG-OH 3.22Å; N675-Y737 PolarHBondContact OD1-OH 3.39Å; L676-Y737 CarbonylContact O-C 3.58Å; I677-Y737 HydrophobicContact CG1-CD2 4.02Å; Y737-P739 HydrophobicContact CE1-CB 3.79Å; Y737-P739 HydrophobicContact CE1-CG 4.27Å; Y737-S746 CarbonylContact O-C 3.55Å; Y737-S746 WeakPolarHBondContact O-CA 3.46Å; Y737-S746 WeakPolarHBondContact O-CB 3.33Å; Y737-S747 PolarHBondContact N-O 2.89Å; Y737-S747 PolarHBondContact O-N 3.27Å; Y737-Q770 HydrophobicContact CD1-CB 3.72Å; Y737-Q770 HydrophobicContact CD1-CG 3.77Å; Y737-Q770 HydrophobicContact CD2-CB 3.85Å; Y737-Q770 HydrophobicContact CD2-CG 4.17Å; Y737-Q770 HydrophobicContact CE1-CB 3.59Å; Y737-Q770 HydrophobicContact CE1-CG 4.16Å; Y737-Q770 HydrophobicContact CE2-CB 3.74Å; Y737-Q770 HydrophobicContact CG-CB 3.85Å; Y737-Q770 HydrophobicContact CG-CG 3.77Å; Y737-Q770 PolarHBondContact OH-O 3.45Å
738	F	89.7	Confident	85.1	Confident	21 Å²	21	64.5 Å²	64.5	9%	0.092	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.3	176	-67.3	-89.3	0	0	0	109.4	I663 L676 L678 I736	I663-F738 HydrophobicContact CD1-CE1 4.27Å; I663-F738 HydrophobicContact CD1-CE2 4.43Å; I663-F738 HydrophobicContact CD1-CZ 4.02Å; I663-F738 HydrophobicContact CG1-CD1 4.44Å; I663-F738 HydrophobicContact CG1-CE1 4.3Å; I663-F738 HydrophobicContact CG1-CE2 4.37Å; I663-F738 HydrophobicContact CG1-CZ 4.26Å; I663-F738 HydrophobicContact CG2-CD1 3.84Å; I663-F738 HydrophobicContact CG2-CE1 3.94Å; L676-F738 HydrophobicContact CB-CB 4.12Å; L676-F738 HydrophobicContact CD2-CB 4.49Å; L676-F738 HydrophobicContact CD2-CD2 4.1Å; L676-F738 HydrophobicContact CG-CD2 4.38Å; L676-F738 PolarHBondContact N-O 3.38Å; L676-F738 PolarHBondContact O-N 3.27Å; L678-F738 HydrophobicContact CB-CD2 4.37Å; L678-F738 HydrophobicContact CB-CE2 4.15Å; L678-F738 HydrophobicContact CD2-CE2 4Å; I736-F738 HydrophobicContact CB-CD2 4.33Å; I736-F738 HydrophobicContact CB-CE2 3.68Å; I736-F738 HydrophobicContact CB-CZ 4.19Å; I736-F738 HydrophobicContact CD1-CZ 4.46Å; I736-F738 HydrophobicContact CG2-CD2 3.94Å; I736-F738 HydrophobicContact CG2-CE1 4.24Å; I736-F738 HydrophobicContact CG2-CE2 3.43Å; I736-F738 VanDerWaalsContact CG2-CE2 3.43Å; I736-F738 HydrophobicContact CG2-CZ 3.6Å
739	P	85.6	Confident	85.2	Confident	27 Å²	27	57.5 Å²	57.5	18%	0.175	30%	0.304	C	S	.	.			trans	-75.4	143.7	179.2	27.5	-29.7	0	0	0	111.5	N675 Y737 N741 R742 S743	N675-P739 WeakPolarHBondContact OD1-CA 3.33Å; Y737-P739 HydrophobicContact CE1-CB 3.79Å; Y737-P739 HydrophobicContact CE1-CG 4.27Å; P739-N741 PolarHBondContact O-N 3.34Å; P739-R742 VanDerWaalsContact CG-O 3.29Å; P739-R742 WeakPolarHBondContact CG-O 3.32Å; P739-R742 CarbonylContact O-C 3.6Å; P739-R742 PolarHBondContact O-N 3.47Å; P739-S743 PolarHBondContact O-N 3.27Å
740	T	76	Confident	85.1	Confident	34 Å²	34	58.7 Å²	58.7	21%	0.209	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-48	-177.4	42.3	0	0	0	0	115.4	K673 K674 N675	K673-T740 HydrophobicContact CB-CG2 3.77Å; K674-T740 WeakPolarHBondContact O-CG2 3.44Å; N675-T740 HydrophobicContact CB-CG2 4.46Å; N675-T740 VanDerWaalsContact N-CG2 3.29Å; N675-T740 WeakPolarHBondContact OD1-CG2 3.31Å; N675-T740 PolarHBondContact OD1-N 3.3Å; N675-T740 PolarHBondContact OD1-OG1 3.28Å
741	N	70	Confident	84.9	Confident	107 Å²	107	53.5 Å²	53.5	57%	0.572	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.7	-170.7	-70.9	-35.2	0	0	0	113.2	K673 P739	K673-N741 PolarHBondContact NZ-OD1 2.9Å; P739-N741 PolarHBondContact O-N 3.34Å
742	R	69	Low	84.6	Confident	152 Å²	152	56.5 Å²	56.5	57%	0.574	30%	0.301	S	S	*	.			trans	-155	65.1	-174.4	-67.3	-167.5	-175.9	-176.3	2.4	111.9	P739 S744 Y745	P739-R742 VanDerWaalsContact CG-O 3.29Å; P739-R742 WeakPolarHBondContact CG-O 3.32Å; P739-R742 CarbonylContact O-C 3.6Å; P739-R742 PolarHBondContact O-N 3.47Å; R742-S744 PolarHBondContact O-N 3.01Å; R742-Y745 HydrophobicContact CB-CD2 3.8Å; R742-Y745 HydrophobicContact CB-CG 4.4Å; R742-Y745 HydrophobicContact CG-CD2 4.29Å; R742-Y745 PolarHBondContact O-N 2.66Å
743	S	65.8	Low	84.3	Confident	39 Å²	39	54.9 Å²	54.9	27%	0.273	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-51.3	-28.1	-178.9	57	0	0	0	0	114	I663 P739 Y745 S746	I663-S743 WeakPolarHBondContact O-CB 3.49Å; P739-S743 PolarHBondContact O-N 3.27Å; S743-Y745 VanDerWaalsContact C-N 3.25Å; S743-Y745 PolarHBondContact O-N 2.93Å; S743-S746 PolarHBondContact O-N 3.35Å
744	S	67.7	Low	83.8	Confident	100 Å²	100	55 Å²	55	70%	0.699	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-65	-18.4	173.6	56.5	0	0	0	0	115.6	R742 S746	R742-S744 PolarHBondContact O-N 3.01Å; S744-S746 VanDerWaalsContact C-N 3.28Å; S744-S746 PolarHBondContact O-N 3.22Å
745	Y	76.6	Confident	82.8	Confident	155 Å²	155	59.2 Å²	59.2	61%	0.608	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-95.9	40.6	174	-74	-100.1	0	0	0	111	R742 S743	R742-Y745 HydrophobicContact CB-CD2 3.8Å; R742-Y745 HydrophobicContact CB-CG 4.4Å; R742-Y745 HydrophobicContact CG-CD2 4.29Å; R742-Y745 PolarHBondContact O-N 2.66Å; S743-Y745 VanDerWaalsContact C-N 3.25Å; S743-Y745 PolarHBondContact O-N 2.93Å
746	S	87.9	Confident	81.7	Confident	50 Å²	50	60.8 Å²	60.8	35%	0.35	33%	0.332	S	S	.	.			trans	-63.3	142	175.3	62	0	0	0	0	111.3	Y737 S743 S744	Y737-S746 CarbonylContact O-C 3.55Å; Y737-S746 WeakPolarHBondContact O-CA 3.46Å; Y737-S746 WeakPolarHBondContact O-CB 3.33Å; S743-S746 PolarHBondContact O-N 3.35Å; S744-S746 VanDerWaalsContact C-N 3.28Å; S744-S746 PolarHBondContact O-N 3.22Å
747	S	91.4	Very high	80.4	Confident	25 Å²	25	65.4 Å²	65.4	18%	0.175	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.7	175.2	54.1	0	0	0	0	110.5	Y737 Q770	Y737-S747 PolarHBondContact N-O 2.89Å; Y737-S747 PolarHBondContact O-N 3.27Å; S747-Q770 PolarHBondContact OG-OE1 2.91Å
748	V	93.1	Very high	79.4	Confident	84 Å²	84	68.8 Å²	68.8	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.6	179.6	-176.6	0	0	0	0	108.7	I736	I736-V748 HydrophobicContact CD1-CG2 4.4Å; I736-V748 HydrophobicContact CG1-CG2 4.24Å; I736-V748 HydrophobicContact CG2-CG2 4.47Å
749	F	93	Very high	79.1	Confident	7 Å²	7	68.2 Å²	68.2	3%	0.031	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-66.1	130.4	173.7	-176.9	-104.4	0	0	0	109.9	I735 M751 A753 M754 L759 Q762 L763 F766	I735-F749 HydrophobicContact CB-CB 3.89Å; I735-F749 HydrophobicContact CG2-CB 4.33Å; I735-F749 WeakPolarHBondContact O-CB 3.21Å; I735-F749 PolarHBondContact O-N 3.21Å; F749-M751 PolarHBondContact O-N 3.21Å; F749-A753 HydrophobicContact CE1-CB 3.62Å; F749-A753 HydrophobicContact CE2-CB 4.35Å; F749-A753 HydrophobicContact CZ-CB 3.53Å; F749-M754 HydrophobicContact CD1-CG 3.69Å; F749-M754 HydrophobicContact CD1-SD 3.61Å; F749-M754 HydrophobicContact CE1-CG 3.97Å; F749-M754 HydrophobicContact CE1-SD 3.84Å; F749-L759 HydrophobicContact CD1-CD1 4.34Å; F749-L759 HydrophobicContact CE1-CD1 3.33Å; F749-L759 HydrophobicContact CZ-CD1 3.71Å; F749-Q762 HydrophobicContact CE2-CB 4.35Å; F749-Q762 HydrophobicContact CZ-CB 3.97Å; F749-L763 HydrophobicContact CD2-CD1 4.1Å; F749-L763 HydrophobicContact CE2-CB 4.34Å; F749-L763 HydrophobicContact CE2-CD1 4.3Å; F749-L763 HydrophobicContact CG-CD1 4.39Å; F749-L763 HydrophobicContact CZ-CB 4.4Å; F749-F766 HydrophobicContact CB-CD1 4.43Å; F749-F766 HydrophobicContact CB-CE1 4.19Å; F749-F766 HydrophobicContact CB-CZ 4.33Å; F749-F766 HydrophobicContact CD2-CB 3.71Å; F749-F766 AromaticContact CD2-CD1 3.72Å; F749-F766 HydrophobicContact CD2-CD1 3.72Å; F749-F766 AromaticContact CD2-CD2 3.97Å; F749-F766 HydrophobicContact CD2-CD2 3.97Å; F749-F766 HydrophobicContact CD2-CE1 4.31Å; F749-F766 AromaticContact CD2-CG 3.53Å; F749-F766 HydrophobicContact CD2-CG 3.53Å; F749-F766 HydrophobicContact CE2-CB 3.78Å; F749-F766 HydrophobicContact CE2-CG 4.14Å
750	P	90.1	Very high	79	Confident	61 Å²	61	68.3 Å²	68.3	40%	0.396	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-56.9	136	-172.6	-26.2	34.2	0	0	0	113.7	E752 A753 M754	P750-E752 VanDerWaalsContact C-N 3.34Å; P750-E752 PolarHBondContact O-N 2.99Å; P750-A753 HydrophobicContact CB-CB 4.11Å; P750-A753 WeakPolarHBondContact O-CB 3.28Å; P750-A753 PolarHBondContact O-N 3.38Å; P750-M754 PolarHBondContact O-N 3.17Å; P750-M754 VanDerWaalsContact O-N 3.14Å
751	M	82.8	Confident	79.3	Confident	78 Å²	78	67.9 Å²	67.9	38%	0.384	37%	0.373	S	S	.	.	H	α-helix	trans	-67.9	-34.7	-177.1	-177.6	58.9	72.7	0	0	112.2	N731 F749 A753 M754 S755	N731-M751 HydrophobicContact CB-CE 3.2Å; F749-M751 PolarHBondContact O-N 3.21Å; M751-A753 PolarHBondContact O-N 3.06Å; M751-M754 WeakPolarHBondContact O-CB 3.27Å; M751-M754 PolarHBondContact O-N 3.27Å; M751-M754 VanDerWaalsContact O-N 3.1Å; M751-M754 HydrophobicContact SD-CB 4.14Å; M751-S755 PolarHBondContact O-N 2.96Å
752	E	81.7	Confident	80.1	Confident	148 Å²	148	66.1 Å²	66.1	69%	0.692	36%	0.362	S	S	*	.	H	α-helix	trans	-61.4	-39.4	177.2	-56.4	72.9	-157	0	0	109.9	P750 S755	P750-E752 VanDerWaalsContact C-N 3.34Å; P750-E752 PolarHBondContact O-N 2.99Å; E752-S755 PolarHBondContact O-N 3.41Å; E752-S755 PolarHBondContact O-OG 3.4Å
753	A	83.5	Confident	81.1	Confident	11 Å²	11	58.9 Å²	58.9	9%	0.091	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-32.3	175.8	0	0	0	0	0	112.8	F749 P750 M751 S755 S756	F749-A753 HydrophobicContact CE1-CB 3.62Å; F749-A753 HydrophobicContact CE2-CB 4.35Å; F749-A753 HydrophobicContact CZ-CB 3.53Å; P750-A753 HydrophobicContact CB-CB 4.11Å; P750-A753 WeakPolarHBondContact O-CB 3.28Å; P750-A753 PolarHBondContact O-N 3.38Å; M751-A753 PolarHBondContact O-N 3.06Å; A753-S755 VanDerWaalsContact C-N 3.26Å; A753-S755 PolarHBondContact O-N 3.2Å; A753-S756 WeakPolarHBondContact O-CB 3.35Å; A753-S756 PolarHBondContact O-N 2.87Å; A753-S756 VanDerWaalsContact O-N 3.07Å; A753-S756 PolarHBondContact O-OG 2.99Å
754	M	81.8	Confident	82.2	Confident	19 Å²	19	57 Å²	57	9%	0.094	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-35.7	175.2	-79.2	-64.9	-71.7	0	0	113	A694 P733 I735 F749 P750 M751 S756 L759	A694-M754 HydrophobicContact CB-CE 3.52Å; P733-M754 HydrophobicContact CB-CE 3.48Å; P733-M754 VanDerWaalsContact CB-CE 3.48Å; P733-M754 HydrophobicContact CG-CE 3.32Å; I735-M754 HydrophobicContact CD1-CE 4.4Å; I735-M754 HydrophobicContact CD1-SD 3.77Å; I735-M754 HydrophobicContact CG1-SD 4.21Å; F749-M754 HydrophobicContact CD1-CG 3.69Å; F749-M754 HydrophobicContact CD1-SD 3.61Å; F749-M754 HydrophobicContact CE1-CG 3.97Å; F749-M754 HydrophobicContact CE1-SD 3.84Å; P750-M754 PolarHBondContact O-N 3.17Å; P750-M754 VanDerWaalsContact O-N 3.14Å; M751-M754 WeakPolarHBondContact O-CB 3.27Å; M751-M754 PolarHBondContact O-N 3.27Å; M751-M754 VanDerWaalsContact O-N 3.1Å; M751-M754 HydrophobicContact SD-CB 4.14Å; M754-S756 VanDerWaalsContact C-N 3.25Å; M754-S756 PolarHBondContact O-N 3.04Å; M754-L759 HydrophobicContact SD-CD1 3.87Å; M754-L759 HydrophobicContact SD-CD2 4.24Å
755	S	71.3	Confident	83	Confident	102 Å²	102	53.4 Å²	53.4	71%	0.713	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.4	178.3	73	0	0	0	0	113.8	M751 E752 A753	M751-S755 PolarHBondContact O-N 2.96Å; E752-S755 PolarHBondContact O-N 3.41Å; E752-S755 PolarHBondContact O-OG 3.4Å; A753-S755 VanDerWaalsContact C-N 3.26Å; A753-S755 PolarHBondContact O-N 3.2Å
756	S	71.8	Confident	83.7	Confident	32 Å²	32	47 Å²	47	22%	0.224	27%	0.271	C	S	.	.	S	Bend	trans	-74.3	149.5	-173.7	80.2	0	0	0	0	112.5	A753 M754 D758 L759 Q762	A753-S756 WeakPolarHBondContact O-CB 3.35Å; A753-S756 PolarHBondContact O-N 2.87Å; A753-S756 VanDerWaalsContact O-N 3.07Å; A753-S756 PolarHBondContact O-OG 2.99Å; M754-S756 VanDerWaalsContact C-N 3.25Å; M754-S756 PolarHBondContact O-N 3.04Å; S756-D758 PolarHBondContact O-N 3.16Å; S756-D758 PolarHBondContact OG-N 3.14Å; S756-L759 PolarHBondContact OG-N 3.21Å; S756-Q762 PolarHBondContact OG-NE2 3.48Å
757	T	67.2	Low	83.8	Confident	113 Å²	113	44.6 Å²	44.6	69%	0.693	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.8	174	63.9	0	0	0	0	113.8	K839	T757-K839 VanDerWaalsContact CB-NZ 3.34Å; T757-K839 PolarHBondContact O-NZ 3.19Å; T757-K839 WeakPolarHBondContact OG1-CE 3.18Å; T757-K839 PolarHBondContact OG1-NZ 3.15Å
758	D	72.2	Confident	83.5	Confident	79 Å²	79	43.6 Å²	43.6	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	39.3	-178.6	-62.3	-46.1	0	0	0	110.6	S756 F760 P761 Q762 K839	S756-D758 PolarHBondContact O-N 3.16Å; S756-D758 PolarHBondContact OG-N 3.14Å; D758-F760 VanDerWaalsContact C-N 3.34Å; D758-F760 PolarHBondContact O-N 3.31Å; D758-P761 VanDerWaalsContact O-CD 3.28Å; D758-P761 WeakPolarHBondContact O-CD 3.15Å; D758-Q762 WeakPolarHBondContact O-CG 3.2Å; D758-Q762 PolarHBondContact O-N 3.06Å; D758-K839 VanDerWaalsContact CG-NZ 3.31Å; D758-K839 IonicContact OD1-NZ 2.66Å; D758-K839 PolarHBondContact OD1-NZ 2.97Å; D758-K839 IonicContact OD2-NZ 3.4Å; D758-K839 PolarHBondContact OD2-NZ 3.41Å
759	L	81.9	Confident	83.1	Confident	10 Å²	10	45 Å²	45	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-43	-179.1	176.7	56.7	0	0	0	112.7	A694 Q697 F749 M754 S756 Q762 L763	A694-L759 HydrophobicContact CB-CD2 4.21Å; Q697-L759 HydrophobicContact CB-CD2 3.97Å; Q697-L759 HydrophobicContact CB-CG 4.13Å; Q697-L759 HydrophobicContact CG-CB 4.27Å; Q697-L759 HydrophobicContact CG-CD2 4.05Å; Q697-L759 HydrophobicContact CG-CG 4.32Å; F749-L759 HydrophobicContact CD1-CD1 4.34Å; F749-L759 HydrophobicContact CE1-CD1 3.33Å; F749-L759 HydrophobicContact CZ-CD1 3.71Å; M754-L759 HydrophobicContact SD-CD1 3.87Å; M754-L759 HydrophobicContact SD-CD2 4.24Å; S756-L759 PolarHBondContact OG-N 3.21Å; L759-Q762 PolarHBondContact O-N 2.77Å; L759-L763 VanDerWaalsContact O-CB 3.23Å; L759-L763 WeakPolarHBondContact O-CB 3.4Å; L759-L763 PolarHBondContact O-N 2.95Å
760	F	84.7	Confident	82.6	Confident	28 Å²	28	47.3 Å²	47.3	12%	0.123	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-53.5	-178.3	169.5	-95.8	0	0	0	113	Q697 A700 T701 F704 D758 Q762 L763 V764 F784 L832	Q697-F760 VanDerWaalsContact OE1-CB 3.29Å; A700-F760 HydrophobicContact CB-CD2 3.87Å; A700-F760 HydrophobicContact CB-CE2 3.96Å; T701-F760 VanDerWaalsContact OG1-CD2 3.3Å; T701-F760 WeakPolarHBondContact OG1-CD2 3.29Å; F704-F760 HydrophobicContact CB-CE2 4.25Å; F704-F760 HydrophobicContact CB-CZ 4.15Å; F704-F760 HydrophobicContact CD2-CZ 4.34Å; F704-F760 HydrophobicContact CG-CZ 4.34Å; D758-F760 VanDerWaalsContact C-N 3.34Å; D758-F760 PolarHBondContact O-N 3.31Å; F760-Q762 VanDerWaalsContact C-N 3.31Å; F760-Q762 PolarHBondContact O-N 3.36Å; F760-L763 PolarHBondContact O-N 2.93Å; F760-V764 HydrophobicContact CD2-CG2 4.36Å; F760-V764 HydrophobicContact CE1-CG2 4.38Å; F760-V764 HydrophobicContact CE2-CG2 4.01Å; F760-V764 HydrophobicContact CZ-CG2 4.02Å; F760-V764 WeakPolarHBondContact O-CG2 3.28Å; F760-V764 PolarHBondContact O-N 3.21Å; F760-F784 HydrophobicContact CD1-CZ 4.42Å; F760-F784 AromaticContact CE1-CE2 3.89Å; F760-F784 HydrophobicContact CE1-CE2 3.89Å; F760-F784 AromaticContact CE1-CZ 3.94Å; F760-F784 HydrophobicContact CE1-CZ 3.94Å; F760-F784 HydrophobicContact CZ-CE2 4.31Å; F760-L832 HydrophobicContact CD1-CD2 3.64Å; F760-L832 HydrophobicContact CE1-CD2 3.56Å; F760-L832 HydrophobicContact CE1-CG 4.12Å
761	P	81.6	Confident	82.1	Confident	25 Å²	25	45 Å²	45	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-39.9	174.9	-26.7	34.4	0	0	0	114.5	D758 V764 S765 F784 S788 L832	D758-P761 VanDerWaalsContact O-CD 3.28Å; D758-P761 WeakPolarHBondContact O-CD 3.15Å; P761-V764 PolarHBondContact O-N 3.08Å; P761-S765 PolarHBondContact O-N 3.26Å; P761-F784 HydrophobicContact CB-CE1 4.36Å; P761-F784 HydrophobicContact CB-CZ 4.42Å; P761-S788 WeakPolarHBondContact CB-OG 3.11Å; P761-L832 HydrophobicContact CG-CD2 4.27Å
762	Q	86.2	Confident	81.2	Confident	71 Å²	71	43.1 Å²	43.1	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-67.3	-41.5	179.5	-69.9	179	43.2	0	0	111.5	F749 S756 D758 L759 F760 S765 F766	F749-Q762 HydrophobicContact CE2-CB 4.35Å; F749-Q762 HydrophobicContact CZ-CB 3.97Å; S756-Q762 PolarHBondContact OG-NE2 3.48Å; D758-Q762 WeakPolarHBondContact O-CG 3.2Å; D758-Q762 PolarHBondContact O-N 3.06Å; L759-Q762 PolarHBondContact O-N 2.77Å; F760-Q762 VanDerWaalsContact C-N 3.31Å; F760-Q762 PolarHBondContact O-N 3.36Å; Q762-S765 PolarHBondContact O-N 3.26Å; Q762-F766 WeakPolarHBondContact O-CB 3.34Å; Q762-F766 PolarHBondContact O-N 3.34Å
763	L	90.4	Very high	79.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-40.2	177.1	-178.6	58.6	0	0	0	111.6	F698 T701 I735 F749 L759 F760 F766 I767	F698-L763 HydrophobicContact CD2-CD2 4.19Å; T701-L763 HydrophobicContact CG2-CD2 4.01Å; T701-L763 HydrophobicContact CG2-CG 4Å; T701-L763 WeakPolarHBondContact OG1-CD2 3.2Å; I735-L763 HydrophobicContact CD1-CD1 3.95Å; I735-L763 HydrophobicContact CD1-CD2 3.81Å; I735-L763 HydrophobicContact CG2-CD1 4.01Å; F749-L763 HydrophobicContact CD2-CD1 4.1Å; F749-L763 HydrophobicContact CE2-CB 4.34Å; F749-L763 HydrophobicContact CE2-CD1 4.3Å; F749-L763 HydrophobicContact CG-CD1 4.39Å; F749-L763 HydrophobicContact CZ-CB 4.4Å; L759-L763 VanDerWaalsContact O-CB 3.23Å; L759-L763 WeakPolarHBondContact O-CB 3.4Å; L759-L763 PolarHBondContact O-N 2.95Å; F760-L763 PolarHBondContact O-N 2.93Å; L763-F766 HydrophobicContact CD1-CD1 4.31Å; L763-F766 PolarHBondContact O-N 3.39Å; L763-I767 HydrophobicContact CD1-CD1 4.04Å; L763-I767 HydrophobicContact CD1-CG1 4.32Å; L763-I767 HydrophobicContact CG-CD1 3.96Å; L763-I767 WeakPolarHBondContact O-CD1 3.24Å; L763-I767 VanDerWaalsContact O-CG1 3.25Å; L763-I767 WeakPolarHBondContact O-CG1 3.29Å; L763-I767 PolarHBondContact O-N 3.3Å
764	V	88.6	Confident	78.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-43.7	174.1	172.8	0	0	0	0	111.3	T701 F704 F705 F760 P761 I767 Y768 F784	T701-V764 HydrophobicContact CG2-CG2 4.12Å; F704-V764 HydrophobicContact CD1-CG1 4.09Å; F704-V764 HydrophobicContact CD1-CG2 4.11Å; F704-V764 HydrophobicContact CE1-CG1 3.65Å; F704-V764 HydrophobicContact CE1-CG2 4.48Å; F704-V764 HydrophobicContact CG-CG2 4.48Å; F704-V764 HydrophobicContact CZ-CG1 4.19Å; F705-V764 HydrophobicContact CE2-CB 4.35Å; F705-V764 HydrophobicContact CE2-CG1 4.08Å; F705-V764 HydrophobicContact CE2-CG2 4.14Å; F705-V764 HydrophobicContact CZ-CG1 4Å; F760-V764 HydrophobicContact CD2-CG2 4.36Å; F760-V764 HydrophobicContact CE1-CG2 4.38Å; F760-V764 HydrophobicContact CE2-CG2 4.01Å; F760-V764 HydrophobicContact CZ-CG2 4.02Å; F760-V764 WeakPolarHBondContact O-CG2 3.28Å; F760-V764 PolarHBondContact O-N 3.21Å; P761-V764 PolarHBondContact O-N 3.08Å; V764-I767 PolarHBondContact O-N 3.4Å; V764-Y768 HydrophobicContact CG1-CD2 3.64Å; V764-Y768 HydrophobicContact CG1-CE2 3.58Å; V764-Y768 VanDerWaalsContact O-CD2 3.31Å; V764-Y768 WeakPolarHBondContact O-CD2 3.3Å; V764-Y768 PolarHBondContact O-N 2.88Å; V764-F784 HydrophobicContact CB-CD1 4.19Å; V764-F784 HydrophobicContact CB-CE1 3.5Å; V764-F784 HydrophobicContact CB-CE2 4.19Å; V764-F784 HydrophobicContact CB-CZ 3.49Å; V764-F784 VanDerWaalsContact CB-CZ 3.49Å; V764-F784 HydrophobicContact CG1-CD1 3.5Å; V764-F784 HydrophobicContact CG1-CD2 4Å; V764-F784 HydrophobicContact CG1-CE1 3.33Å; V764-F784 HydrophobicContact CG1-CE2 3.82Å; V764-F784 HydrophobicContact CG1-CG 3.83Å; V764-F784 HydrophobicContact CG1-CZ 3.5Å; V764-F784 VanDerWaalsContact CG1-CZ 3.5Å; V764-F784 HydrophobicContact CG2-CE1 4.26Å; V764-F784 HydrophobicContact CG2-CE2 4.13Å; V764-F784 HydrophobicContact CG2-CZ 3.71Å
765	S	85.3	Confident	77	Confident	24 Å²	24	53.5 Å²	53.5	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-47.2	176.2	-160.3	0	0	0	0	111.4	P761 Q762 I767 Y768 E769	P761-S765 PolarHBondContact O-N 3.26Å; Q762-S765 PolarHBondContact O-N 3.26Å; S765-I767 PolarHBondContact O-N 3.24Å; S765-Y768 PolarHBondContact O-N 3.43Å; S765-E769 WeakPolarHBondContact O-CB 3.32Å; S765-E769 WeakPolarHBondContact O-CG 3.48Å; S765-E769 PolarHBondContact O-N 3.22Å; S765-E769 PolarHBondContact OG-OE1 3.12Å; S765-E769 VanDerWaalsContact OG-OE1 3.12Å
766	F	90.5	Very high	76.2	Confident	20 Å²	20	56.2 Å²	56.2	9%	0.088	30%	0.304	C	S	.	.	H	α-helix	trans	-55.4	-49.8	176.3	171.4	-101.6	0	0	0	111.4	F749 Q762 L763 Y768 E769 Q770	F749-F766 HydrophobicContact CB-CD1 4.43Å; F749-F766 HydrophobicContact CB-CE1 4.19Å; F749-F766 HydrophobicContact CB-CZ 4.33Å; F749-F766 HydrophobicContact CD2-CB 3.71Å; F749-F766 AromaticContact CD2-CD1 3.72Å; F749-F766 HydrophobicContact CD2-CD1 3.72Å; F749-F766 AromaticContact CD2-CD2 3.97Å; F749-F766 HydrophobicContact CD2-CD2 3.97Å; F749-F766 HydrophobicContact CD2-CE1 4.31Å; F749-F766 AromaticContact CD2-CG 3.53Å; F749-F766 HydrophobicContact CD2-CG 3.53Å; F749-F766 HydrophobicContact CE2-CB 3.78Å; F749-F766 HydrophobicContact CE2-CG 4.14Å; Q762-F766 WeakPolarHBondContact O-CB 3.34Å; Q762-F766 PolarHBondContact O-N 3.34Å; L763-F766 HydrophobicContact CD1-CD1 4.31Å; L763-F766 PolarHBondContact O-N 3.39Å; F766-Y768 PolarHBondContact O-N 3.47Å; F766-E769 WeakPolarHBondContact O-CB 3.15Å; F766-E769 PolarHBondContact O-N 2.78Å; F766-Q770 HydrophobicContact CD1-CG 4.49Å; F766-Q770 HydrophobicContact CE1-CG 4.17Å; F766-Q770 HydrophobicContact CE2-CG 4.21Å; F766-Q770 HydrophobicContact CZ-CG 4.01Å; F766-Q770 WeakPolarHBondContact O-CG 3.44Å; F766-Q770 PolarHBondContact O-N 3.12Å
767	I	89.8	Confident	75.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-46.9	-179.3	-70.6	162.6	0	0	0	111.4	I677 T701 F705 L711 F713 L763 V764 S765 E769 Q770 I771	I677-I767 HydrophobicContact CD1-CB 4.44Å; I677-I767 HydrophobicContact CD1-CD1 3.71Å; I677-I767 HydrophobicContact CD1-CG1 3.75Å; I677-I767 HydrophobicContact CD1-CG2 3.8Å; T701-I767 HydrophobicContact CG2-CD1 3.34Å; F705-I767 HydrophobicContact CD2-CD1 4.25Å; F705-I767 HydrophobicContact CD2-CG2 4.24Å; F705-I767 HydrophobicContact CE1-CG2 3.98Å; F705-I767 HydrophobicContact CE2-CB 3.92Å; F705-I767 HydrophobicContact CE2-CD1 3.87Å; F705-I767 HydrophobicContact CE2-CG2 3.66Å; F705-I767 HydrophobicContact CZ-CB 3.94Å; F705-I767 HydrophobicContact CZ-CG2 3.52Å; L711-I767 HydrophobicContact CD1-CG2 3.98Å; F713-I767 HydrophobicContact CE1-CD1 4.06Å; F713-I767 HydrophobicContact CZ-CD1 4.02Å; L763-I767 HydrophobicContact CD1-CD1 4.04Å; L763-I767 HydrophobicContact CD1-CG1 4.32Å; L763-I767 HydrophobicContact CG-CD1 3.96Å; L763-I767 WeakPolarHBondContact O-CD1 3.24Å; L763-I767 VanDerWaalsContact O-CG1 3.25Å; L763-I767 WeakPolarHBondContact O-CG1 3.29Å; L763-I767 PolarHBondContact O-N 3.3Å; V764-I767 PolarHBondContact O-N 3.4Å; S765-I767 PolarHBondContact O-N 3.24Å; I767-E769 VanDerWaalsContact C-N 3.33Å; I767-E769 PolarHBondContact O-N 3.4Å; I767-Q770 PolarHBondContact O-N 2.92Å; I767-Q770 VanDerWaalsContact O-N 3.12Å; I767-I771 HydrophobicContact CG2-CD1 3.55Å; I767-I771 HydrophobicContact CG2-CG1 4.36Å; I767-I771 WeakPolarHBondContact O-CD1 3.18Å; I767-I771 VanDerWaalsContact O-CG1 3.29Å; I767-I771 WeakPolarHBondContact O-CG1 3.4Å; I767-I771 PolarHBondContact O-N 3.5Å
768	Y	86.1	Confident	75.6	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-40.9	176.6	-84.7	-61.9	0	0	0	112.1	F704 F705 V764 S765 F766 Q770 I771 N772 E777 Q780 L781	F704-Y768 AromaticContact CE1-CE2 3.7Å; F704-Y768 HydrophobicContact CE1-CE2 3.7Å; F704-Y768 AromaticContact CE1-CZ 3.97Å; F704-Y768 WeakPolarHBondContact CE1-OH 3.27Å; F704-Y768 HydrophobicContact CZ-CE2 4.17Å; F705-Y768 HydrophobicContact CE1-CD1 4.08Å; F705-Y768 HydrophobicContact CE1-CD2 4.17Å; F705-Y768 AromaticContact CE1-CE1 3.71Å; F705-Y768 HydrophobicContact CE1-CE1 3.71Å; F705-Y768 AromaticContact CE1-CE2 3.84Å; F705-Y768 HydrophobicContact CE1-CE2 3.84Å; F705-Y768 HydrophobicContact CE1-CG 4.29Å; F705-Y768 AromaticContact CE1-CZ 3.58Å; F705-Y768 HydrophobicContact CZ-CD1 4.38Å; F705-Y768 AromaticContact CZ-CD2 3.74Å; F705-Y768 HydrophobicContact CZ-CD2 3.74Å; F705-Y768 HydrophobicContact CZ-CE1 4.28Å; F705-Y768 AromaticContact CZ-CE2 3.66Å; F705-Y768 HydrophobicContact CZ-CE2 3.66Å; F705-Y768 HydrophobicContact CZ-CG 4.12Å; F705-Y768 AromaticContact CZ-CZ 3.93Å; V764-Y768 HydrophobicContact CG1-CD2 3.64Å; V764-Y768 HydrophobicContact CG1-CE2 3.58Å; V764-Y768 VanDerWaalsContact O-CD2 3.31Å; V764-Y768 WeakPolarHBondContact O-CD2 3.3Å; V764-Y768 PolarHBondContact O-N 2.88Å; S765-Y768 PolarHBondContact O-N 3.43Å; F766-Y768 PolarHBondContact O-N 3.47Å; Y768-Q770 PolarHBondContact O-N 3.33Å; Y768-I771 PolarHBondContact O-N 3.24Å; Y768-N772 VanDerWaalsContact O-CB 3.25Å; Y768-N772 WeakPolarHBondContact O-CB 3.5Å; Y768-N772 PolarHBondContact O-N 3.39Å; Y768-N772 PolarHBondContact O-ND2 2.6Å; Y768-E777 HydrophobicContact CD1-CB 4.1Å; Y768-E777 WeakPolarHBondContact CD1-OE2 3.18Å; Y768-E777 HydrophobicContact CE1-CB 4.06Å; Y768-E777 WeakPolarHBondContact CE1-OE2 3.41Å; Y768-Q780 HydrophobicContact CE1-CB 4.25Å; Y768-Q780 PolarHBondContact OH-OE1 2.88Å; Y768-L781 HydrophobicContact CD1-CB 4.31Å; Y768-L781 HydrophobicContact CD2-CB 4.1Å; Y768-L781 HydrophobicContact CD2-CD1 3.6Å; Y768-L781 HydrophobicContact CD2-CG 4.4Å; Y768-L781 HydrophobicContact CE2-CD1 4.43Å; Y768-L781 HydrophobicContact CG-CB 3.98Å; Y768-L781 HydrophobicContact CG-CD1 3.93Å; Y768-L781 HydrophobicContact CG-CG 4.38Å
769	E	83.7	Confident	75.6	Confident	112 Å²	112	58 Å²	58	52%	0.523	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-34.9	174.8	-75.6	167.6	-153.7	0	0	112.4	S765 F766 I767	S765-E769 WeakPolarHBondContact O-CB 3.32Å; S765-E769 WeakPolarHBondContact O-CG 3.48Å; S765-E769 PolarHBondContact O-N 3.22Å; S765-E769 PolarHBondContact OG-OE1 3.12Å; S765-E769 VanDerWaalsContact OG-OE1 3.12Å; F766-E769 WeakPolarHBondContact O-CB 3.15Å; F766-E769 PolarHBondContact O-N 2.78Å; I767-E769 VanDerWaalsContact C-N 3.33Å; I767-E769 PolarHBondContact O-N 3.4Å
770	Q	84	Confident	75.2	Confident	57 Å²	57	62 Å²	62	27%	0.266	32%	0.316	S	S	.	.	H	α-helix	trans	-74.3	-33.6	175.3	-61.2	-49.1	-58.8	0	0	113.5	Y737 S747 F766 I767 Y768	Y737-Q770 HydrophobicContact CD1-CB 3.72Å; Y737-Q770 HydrophobicContact CD1-CG 3.77Å; Y737-Q770 HydrophobicContact CD2-CB 3.85Å; Y737-Q770 HydrophobicContact CD2-CG 4.17Å; Y737-Q770 HydrophobicContact CE1-CB 3.59Å; Y737-Q770 HydrophobicContact CE1-CG 4.16Å; Y737-Q770 HydrophobicContact CE2-CB 3.74Å; Y737-Q770 HydrophobicContact CG-CB 3.85Å; Y737-Q770 HydrophobicContact CG-CG 3.77Å; Y737-Q770 PolarHBondContact OH-O 3.45Å; S747-Q770 PolarHBondContact OG-OE1 2.91Å; F766-Q770 HydrophobicContact CD1-CG 4.49Å; F766-Q770 HydrophobicContact CE1-CG 4.17Å; F766-Q770 HydrophobicContact CE2-CG 4.21Å; F766-Q770 HydrophobicContact CZ-CG 4.01Å; F766-Q770 WeakPolarHBondContact O-CG 3.44Å; F766-Q770 PolarHBondContact O-N 3.12Å; I767-Q770 PolarHBondContact O-N 2.92Å; I767-Q770 VanDerWaalsContact O-N 3.12Å; Y768-Q770 PolarHBondContact O-N 3.33Å
771	I	79.2	Confident	74.6	Confident	13 Å²	13	61.3 Å²	61.3	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-80.8	-29.9	-179.9	-58.4	158.4	0	0	0	112	F705 L711 I767 Y768 A773 E774 E777	F705-I771 HydrophobicContact CE1-CD1 4.37Å; L711-I771 HydrophobicContact CD1-CD1 3.6Å; L711-I771 HydrophobicContact CD2-CD1 3.74Å; L711-I771 HydrophobicContact CD2-CG1 3.94Å; L711-I771 HydrophobicContact CG-CD1 4Å; I767-I771 HydrophobicContact CG2-CD1 3.55Å; I767-I771 HydrophobicContact CG2-CG1 4.36Å; I767-I771 WeakPolarHBondContact O-CD1 3.18Å; I767-I771 VanDerWaalsContact O-CG1 3.29Å; I767-I771 WeakPolarHBondContact O-CG1 3.4Å; I767-I771 PolarHBondContact O-N 3.5Å; Y768-I771 PolarHBondContact O-N 3.24Å; I771-A773 PolarHBondContact O-N 3.49Å; I771-E774 PolarHBondContact O-N 2.96Å; I771-E777 WeakPolarHBondContact CG2-OE2 3.39Å
772	N	62.8	Low	74.4	Confident	37 Å²	37	66 Å²	66	20%	0.198	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-3	-174	-86.6	-34.6	0	0	0	115.6	Y768 E774 H778	Y768-N772 VanDerWaalsContact O-CB 3.25Å; Y768-N772 WeakPolarHBondContact O-CB 3.5Å; Y768-N772 PolarHBondContact O-N 3.39Å; Y768-N772 PolarHBondContact O-ND2 2.6Å; N772-E774 PolarHBondContact O-N 2.92Å; N772-H778 PolarHBondContact OD1-ND1 3.31Å
773	A	54.8	Low	74.1	Confident	93 Å²	93	68.6 Å²	68.6	77%	0.769	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15	162.3	0	0	0	0	0	113	I771	I771-A773 PolarHBondContact O-N 3.49Å
774	E	53.6	Low	73.6	Confident	113 Å²	113	68.7 Å²	68.7	53%	0.528	34%	0.338	S	S	.	.	S	Bend	trans	-117.4	113.8	175.8	-61.7	-175.4	-177.4	0	0	110.7	I771 N772 N776	I771-E774 PolarHBondContact O-N 2.96Å; N772-E774 PolarHBondContact O-N 2.92Å; E774-N776 PolarHBondContact O-N 3.29Å
775	Q	51.8	Low	73.3	Confident	190 Å²	190	71.9 Å²	71.9	89%	0.888	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	10.2	-148.4	-71.1	-167.1	-28.1	0	0	120.9
776	N	54.3	Low	73.2	Confident	160 Å²	160	75.5 Å²	75.5	86%	0.856	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	5.3	-168.7	-99.5	-13.5	0	0	0	118.1	E774	E774-N776 PolarHBondContact O-N 3.29Å
777	E	63	Low	72.9	Confident	30 Å²	30	75.2 Å²	75.2	14%	0.14	37%	0.371	C	S	.	.			trans	-104.6	-0.9	-175.9	-67.8	-164.9	155.7	0	0	115.8	N708 Y768 I771 E779 Q780 L781	N708-E777 PolarHBondContact ND2-OE1 2.93Å; Y768-E777 HydrophobicContact CD1-CB 4.1Å; Y768-E777 WeakPolarHBondContact CD1-OE2 3.18Å; Y768-E777 HydrophobicContact CE1-CB 4.06Å; Y768-E777 WeakPolarHBondContact CE1-OE2 3.41Å; I771-E777 WeakPolarHBondContact CG2-OE2 3.39Å; E777-E779 VanDerWaalsContact C-N 3.29Å; E777-E779 PolarHBondContact O-N 3.48Å; E777-Q780 PolarHBondContact O-N 3.42Å; E777-L781 PolarHBondContact O-N 3.02Å; E777-L781 VanDerWaalsContact O-N 3.09Å
778	H	63.9	Low	72.5	Confident	107 Å²	107	76.4 Å²	76.4	50%	0.495	38%	0.38	S	S	.	.	H	α-helix	trans	-58.7	-35.6	-176.1	-113	36.6	0	0	0	114.3	N772 K782	N772-H778 PolarHBondContact OD1-ND1 3.31Å; H778-K782 WeakPolarHBondContact O-CG 3.44Å; H778-K782 PolarHBondContact O-N 3.49Å
779	E	71	Confident	72.3	Confident	124 Å²	124	82.3 Å²	82.3	58%	0.579	41%	0.408	S	S	*	.	H	α-helix	trans	-70.2	-35.5	178.5	-155.9	-173.1	164.2	0	0	111.7	E777 R783	E777-E779 VanDerWaalsContact C-N 3.29Å; E777-E779 PolarHBondContact O-N 3.48Å; E779-R783 WeakPolarHBondContact O-CB 3.2Å; E779-R783 VanDerWaalsContact O-CG 3.25Å; E779-R783 WeakPolarHBondContact O-CG 3.39Å; E779-R783 PolarHBondContact O-N 3.34Å; E779-R783 IonicContact OE1-CZ 3.44Å; E779-R783 IonicContact OE1-NE 3.47Å; E779-R783 PolarHBondContact OE1-NE 3.46Å; E779-R783 IonicContact OE1-NH2 2.69Å; E779-R783 PolarHBondContact OE1-NH2 3.47Å
780	Q	73.7	Confident	72.4	Confident	95 Å²	95	79.8 Å²	79.8	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-69.4	-43.7	176.7	-63.1	-171	14.2	0	0	111.4	Y768 E777 K782 R783 F784	Y768-Q780 HydrophobicContact CE1-CB 4.25Å; Y768-Q780 PolarHBondContact OH-OE1 2.88Å; E777-Q780 PolarHBondContact O-N 3.42Å; Q780-K782 PolarHBondContact O-N 3.45Å; Q780-R783 PolarHBondContact O-N 3.23Å; Q780-F784 WeakPolarHBondContact O-CB 3.2Å; Q780-F784 PolarHBondContact O-N 2.98Å
781	L	73.4	Confident	72.3	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.063	39%	0.385	C	S	.	.	H	α-helix	trans	-58.9	-46.8	174.8	175.1	59.9	0	0	0	111.2	Y768 E777 R783 F784 Q785	Y768-L781 HydrophobicContact CD1-CB 4.31Å; Y768-L781 HydrophobicContact CD2-CB 4.1Å; Y768-L781 HydrophobicContact CD2-CD1 3.6Å; Y768-L781 HydrophobicContact CD2-CG 4.4Å; Y768-L781 HydrophobicContact CE2-CD1 4.43Å; Y768-L781 HydrophobicContact CG-CB 3.98Å; Y768-L781 HydrophobicContact CG-CD1 3.93Å; Y768-L781 HydrophobicContact CG-CG 4.38Å; E777-L781 PolarHBondContact O-N 3.02Å; E777-L781 VanDerWaalsContact O-N 3.09Å; L781-R783 PolarHBondContact O-N 2.73Å; L781-F784 WeakPolarHBondContact O-CB 3.44Å; L781-F784 PolarHBondContact O-N 3.22Å; L781-Q785 HydrophobicContact CD1-CG 3.93Å; L781-Q785 HydrophobicContact CG-CG 4.35Å; L781-Q785 WeakPolarHBondContact O-CB 3.23Å; L781-Q785 WeakPolarHBondContact O-CG 3.49Å; L781-Q785 PolarHBondContact O-N 3.5Å
782	K	77.3	Confident	72.4	Confident	124 Å²	124	79.2 Å²	79.2	54%	0.539	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-43.4	177	-76.2	-179.4	-179.4	179.9	0	112.1	H778 Q780 F784 Q785 N786	H778-K782 WeakPolarHBondContact O-CG 3.44Å; H778-K782 PolarHBondContact O-N 3.49Å; Q780-K782 PolarHBondContact O-N 3.45Å; K782-F784 VanDerWaalsContact C-N 3.32Å; K782-F784 PolarHBondContact O-N 3.28Å; K782-Q785 PolarHBondContact O-N 2.93Å; K782-N786 WeakPolarHBondContact O-CB 3Å; K782-N786 PolarHBondContact O-N 2.77Å; K782-N786 PolarHBondContact O-ND2 2.98Å
783	R	78.7	Confident	73.4	Confident	125 Å²	125	80.1 Å²	80.1	47%	0.472	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-39.4	175.3	-73	174.7	-173.2	-167.5	4.2	111.8	E779 Q780 L781 S787	E779-R783 WeakPolarHBondContact O-CB 3.2Å; E779-R783 VanDerWaalsContact O-CG 3.25Å; E779-R783 WeakPolarHBondContact O-CG 3.39Å; E779-R783 PolarHBondContact O-N 3.34Å; E779-R783 IonicContact OE1-CZ 3.44Å; E779-R783 IonicContact OE1-NE 3.47Å; E779-R783 PolarHBondContact OE1-NE 3.46Å; E779-R783 IonicContact OE1-NH2 2.69Å; E779-R783 PolarHBondContact OE1-NH2 3.47Å; Q780-R783 PolarHBondContact O-N 3.23Å; L781-R783 PolarHBondContact O-N 2.73Å; R783-S787 WeakPolarHBondContact O-CB 3.3Å; R783-S787 PolarHBondContact O-N 2.94Å; R783-S787 PolarHBondContact O-OG 3.27Å
784	F	80.5	Confident	74.8	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.009	38%	0.377	C	S	.	.	H	α-helix	trans	-66.1	-49.4	175.5	178.2	-96.3	0	0	0	112.1	F704 F760 P761 V764 Q780 L781 K782 N786 S787 S788 Y828 L832	F704-F784 HydrophobicContact CD2-CD2 4.36Å; F704-F784 HydrophobicContact CD2-CE2 4.28Å; F704-F784 HydrophobicContact CE1-CD2 4.27Å; F704-F784 AromaticContact CE2-CD2 3.45Å; F704-F784 HydrophobicContact CE2-CD2 3.45Å; F704-F784 VanDerWaalsContact CE2-CD2 3.45Å; F704-F784 AromaticContact CE2-CE2 3.8Å; F704-F784 HydrophobicContact CE2-CE2 3.8Å; F704-F784 HydrophobicContact CE2-CG 4.48Å; F704-F784 HydrophobicContact CZ-CB 4.27Å; F704-F784 AromaticContact CZ-CD2 3.39Å; F704-F784 HydrophobicContact CZ-CD2 3.39Å; F704-F784 AromaticContact CZ-CE2 3.98Å; F704-F784 HydrophobicContact CZ-CE2 3.98Å; F704-F784 HydrophobicContact CZ-CG 4.03Å; F760-F784 HydrophobicContact CD1-CZ 4.42Å; F760-F784 AromaticContact CE1-CE2 3.89Å; F760-F784 HydrophobicContact CE1-CE2 3.89Å; F760-F784 AromaticContact CE1-CZ 3.94Å; F760-F784 HydrophobicContact CE1-CZ 3.94Å; F760-F784 HydrophobicContact CZ-CE2 4.31Å; P761-F784 HydrophobicContact CB-CE1 4.36Å; P761-F784 HydrophobicContact CB-CZ 4.42Å; V764-F784 HydrophobicContact CB-CD1 4.19Å; V764-F784 HydrophobicContact CB-CE1 3.5Å; V764-F784 HydrophobicContact CB-CE2 4.19Å; V764-F784 HydrophobicContact CB-CZ 3.49Å; V764-F784 VanDerWaalsContact CB-CZ 3.49Å; V764-F784 HydrophobicContact CG1-CD1 3.5Å; V764-F784 HydrophobicContact CG1-CD2 4Å; V764-F784 HydrophobicContact CG1-CE1 3.33Å; V764-F784 HydrophobicContact CG1-CE2 3.82Å; V764-F784 HydrophobicContact CG1-CG 3.83Å; V764-F784 HydrophobicContact CG1-CZ 3.5Å; V764-F784 VanDerWaalsContact CG1-CZ 3.5Å; V764-F784 HydrophobicContact CG2-CE1 4.26Å; V764-F784 HydrophobicContact CG2-CE2 4.13Å; V764-F784 HydrophobicContact CG2-CZ 3.71Å; Q780-F784 WeakPolarHBondContact O-CB 3.2Å; Q780-F784 PolarHBondContact O-N 2.98Å; L781-F784 WeakPolarHBondContact O-CB 3.44Å; L781-F784 PolarHBondContact O-N 3.22Å; K782-F784 VanDerWaalsContact C-N 3.32Å; K782-F784 PolarHBondContact O-N 3.28Å; F784-N786 VanDerWaalsContact C-N 3.31Å; F784-N786 PolarHBondContact O-N 2.7Å; F784-S787 WeakPolarHBondContact O-CB 3.22Å; F784-S787 PolarHBondContact O-N 2.91Å; F784-S787 VanDerWaalsContact O-N 3.1Å; F784-S788 WeakPolarHBondContact O-CB 3.13Å; F784-S788 PolarHBondContact O-N 3.38Å; F784-Y828 HydrophobicContact CB-CE2 4.43Å; F784-Y828 HydrophobicContact CD2-CD2 4Å; F784-Y828 AromaticContact CD2-CE2 3.95Å; F784-Y828 HydrophobicContact CD2-CE2 3.95Å; F784-L832 HydrophobicContact CD2-CD1 4.29Å; F784-L832 HydrophobicContact CE2-CD1 3.79Å; F784-L832 HydrophobicContact CZ-CD1 4.3Å
785	Q	81.9	Confident	76.1	Confident	68 Å²	68	71.5 Å²	71.5	32%	0.318	36%	0.356	S	S	.	.	H	α-helix	trans	-58.1	-43.3	177.6	-74.7	175.6	-18.4	0	0	111.3	L781 K782 S787 S788 Q789	L781-Q785 HydrophobicContact CD1-CG 3.93Å; L781-Q785 HydrophobicContact CG-CG 4.35Å; L781-Q785 WeakPolarHBondContact O-CB 3.23Å; L781-Q785 WeakPolarHBondContact O-CG 3.49Å; L781-Q785 PolarHBondContact O-N 3.5Å; K782-Q785 PolarHBondContact O-N 2.93Å; Q785-S787 PolarHBondContact O-N 3.34Å; Q785-S788 PolarHBondContact O-N 3.04Å; Q785-Q789 WeakPolarHBondContact O-CB 3.49Å; Q785-Q789 VanDerWaalsContact O-CG 3.31Å; Q785-Q789 WeakPolarHBondContact O-CG 3.39Å; Q785-Q789 PolarHBondContact O-N 3.38Å
786	N	84.1	Confident	77.6	Confident	100 Å²	100	65.4 Å²	65.4	54%	0.535	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-42.9	174.7	-71.2	-13.3	0	0	0	112.1	K782 F784 Q789 F790	K782-N786 WeakPolarHBondContact O-CB 3Å; K782-N786 PolarHBondContact O-N 2.77Å; K782-N786 PolarHBondContact O-ND2 2.98Å; F784-N786 VanDerWaalsContact C-N 3.31Å; F784-N786 PolarHBondContact O-N 2.7Å; N786-Q789 PolarHBondContact O-N 3.23Å; N786-F790 VanDerWaalsContact O-CB 3.31Å; N786-F790 WeakPolarHBondContact O-CB 3.44Å; N786-F790 PolarHBondContact O-N 2.99Å
787	S	82.7	Confident	79	Confident	13 Å²	13	62.6 Å²	62.6	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-38.1	177.3	-57.5	0	0	0	0	112.2	R783 F784 Q785 F790 A791	R783-S787 WeakPolarHBondContact O-CB 3.3Å; R783-S787 PolarHBondContact O-N 2.94Å; R783-S787 PolarHBondContact O-OG 3.27Å; F784-S787 WeakPolarHBondContact O-CB 3.22Å; F784-S787 PolarHBondContact O-N 2.91Å; F784-S787 VanDerWaalsContact O-N 3.1Å; Q785-S787 PolarHBondContact O-N 3.34Å; S787-F790 PolarHBondContact O-N 3.36Å; S787-A791 WeakPolarHBondContact O-CB 3.28Å; S787-A791 PolarHBondContact O-N 3.32Å
788	S	81.2	Confident	79.9	Confident	26 Å²	26	61.2 Å²	61.2	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-47	175.2	-179.5	0	0	0	0	111.6	P761 F784 Q785 F790 A791 A792	P761-S788 WeakPolarHBondContact CB-OG 3.11Å; F784-S788 WeakPolarHBondContact O-CB 3.13Å; F784-S788 PolarHBondContact O-N 3.38Å; Q785-S788 PolarHBondContact O-N 3.04Å; S788-F790 VanDerWaalsContact C-N 3.33Å; S788-F790 PolarHBondContact O-N 3.47Å; S788-A791 PolarHBondContact O-N 3.49Å; S788-A792 WeakPolarHBondContact O-CB 3.04Å; S788-A792 PolarHBondContact O-N 3.36Å
789	Q	83.7	Confident	80.6	Confident	128 Å²	128	58.4 Å²	58.4	60%	0.598	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-41.2	175.2	-74.3	176.7	-3.4	0	0	111.8	Q785 N786 A792 S793	Q785-Q789 WeakPolarHBondContact O-CB 3.49Å; Q785-Q789 VanDerWaalsContact O-CG 3.31Å; Q785-Q789 WeakPolarHBondContact O-CG 3.39Å; Q785-Q789 PolarHBondContact O-N 3.38Å; N786-Q789 PolarHBondContact O-N 3.23Å; Q789-A792 PolarHBondContact O-N 2Å; Q789-S793 WeakPolarHBondContact O-CB 3.28Å; Q789-S793 PolarHBondContact O-N 3.06Å
790	F	85.1	Confident	81	Confident	59 Å²	59	57 Å²	57	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-49.6	173.1	170.6	-100	0	0	0	111.5	N786 S787 S788 A792 S793 I794 T820 Q824 C833	N786-F790 VanDerWaalsContact O-CB 3.31Å; N786-F790 WeakPolarHBondContact O-CB 3.44Å; N786-F790 PolarHBondContact O-N 2.99Å; S787-F790 PolarHBondContact O-N 3.36Å; S788-F790 VanDerWaalsContact C-N 3.33Å; S788-F790 PolarHBondContact O-N 3.47Å; F790-A792 PolarHBondContact O-N 2.75Å; F790-S793 WeakPolarHBondContact O-CB 3.07Å; F790-S793 PolarHBondContact O-N 3Å; F790-I794 HydrophobicContact CD2-CG1 4.35Å; F790-I794 HydrophobicContact CE1-CG1 4.08Å; F790-I794 HydrophobicContact CE2-CD1 4.11Å; F790-I794 HydrophobicContact CE2-CG1 3.91Å; F790-I794 HydrophobicContact CZ-CD1 4.14Å; F790-I794 HydrophobicContact CZ-CG1 3.78Å; F790-I794 WeakPolarHBondContact O-CG1 3.38Å; F790-I794 PolarHBondContact O-N 3.46Å; F790-T820 HydrophobicContact CE2-CG2 4.28Å; F790-T820 HydrophobicContact CZ-CG2 3.76Å; F790-Q824 HydrophobicContact CD1-CG 4.41Å; F790-Q824 HydrophobicContact CE1-CG 3.76Å; F790-Q824 HydrophobicContact CZ-CG 4.44Å; F790-C833 HydrophobicContact CE1-CB 4.36Å
791	A	81.2	Confident	81.3	Confident	6 Å²	6	56 Å²	56	5%	0.05	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-41	177.6	0	0	0	0	0	112.5	S787 S788 I794 T795 L832	S787-A791 WeakPolarHBondContact O-CB 3.28Å; S787-A791 PolarHBondContact O-N 3.32Å; S788-A791 PolarHBondContact O-N 3.49Å; A791-I794 PolarHBondContact O-N 2.94Å; A791-T795 WeakPolarHBondContact O-CB 3.41Å; A791-T795 PolarHBondContact O-N 2.92Å; A791-T795 PolarHBondContact O-OG1 2.89Å; A791-L832 HydrophobicContact CB-CB 3.95Å
792	A	81.6	Confident	81.3	Confident	51 Å²	51	56.6 Å²	56.6	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175.7	0	0	0	0	0	112.3	S788 Q789 F790 T795 S796	S788-A792 WeakPolarHBondContact O-CB 3.04Å; S788-A792 PolarHBondContact O-N 3.36Å; Q789-A792 PolarHBondContact O-N 2Å; F790-A792 PolarHBondContact O-N 2.75Å; A792-T795 PolarHBondContact O-N 2.69Å; A792-S796 WeakPolarHBondContact O-CB 3.35Å; A792-S796 PolarHBondContact O-N 3.34Å; A792-S796 PolarHBondContact O-OG 3.32Å
793	S	84.6	Confident	80.8	Confident	57 Å²	57	57.7 Å²	57.7	40%	0.399	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-49.6	174.1	-179.3	0	0	0	0	111.5	Q789 F790 T795 S796 Q797	Q789-S793 WeakPolarHBondContact O-CB 3.28Å; Q789-S793 PolarHBondContact O-N 3.06Å; F790-S793 WeakPolarHBondContact O-CB 3.07Å; F790-S793 PolarHBondContact O-N 3Å; S793-T795 VanDerWaalsContact C-N 3.33Å; S793-T795 PolarHBondContact O-N 3.21Å; S793-S796 PolarHBondContact O-N 2.94Å; S793-Q797 WeakPolarHBondContact O-CB 3.41Å; S793-Q797 WeakPolarHBondContact O-CG 3.47Å; S793-Q797 PolarHBondContact O-N 2.84Å
794	I	82.6	Confident	80.2	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-59.6	-43.6	176.2	-67.5	-65.7	0	0	0	111.2	F790 A791 S796 Q797 L798 T817 T820	F790-I794 HydrophobicContact CD2-CG1 4.35Å; F790-I794 HydrophobicContact CE1-CG1 4.08Å; F790-I794 HydrophobicContact CE2-CD1 4.11Å; F790-I794 HydrophobicContact CE2-CG1 3.91Å; F790-I794 HydrophobicContact CZ-CD1 4.14Å; F790-I794 HydrophobicContact CZ-CG1 3.78Å; F790-I794 WeakPolarHBondContact O-CG1 3.38Å; F790-I794 PolarHBondContact O-N 3.46Å; A791-I794 PolarHBondContact O-N 2.94Å; I794-S796 PolarHBondContact O-N 3.25Å; I794-Q797 PolarHBondContact O-N 3.07Å; I794-L798 WeakPolarHBondContact O-CB 3.47Å; I794-L798 PolarHBondContact O-N 3.37Å; I794-T817 HydrophobicContact CG2-CG2 3.97Å; I794-T820 HydrophobicContact CD1-CG2 3.95Å
795	T	82.1	Confident	79.6	Confident	14 Å²	14	63.6 Å²	63.6	9%	0.086	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-47.8	177.3	-56.7	0	0	0	0	111.1	A791 A792 S793 L798 I799 G836 A840	A791-T795 WeakPolarHBondContact O-CB 3.41Å; A791-T795 PolarHBondContact O-N 2.92Å; A791-T795 PolarHBondContact O-OG1 2.89Å; A792-T795 PolarHBondContact O-N 2.69Å; S793-T795 VanDerWaalsContact C-N 3.33Å; S793-T795 PolarHBondContact O-N 3.21Å; T795-L798 PolarHBondContact O-N 2.95Å; T795-I799 HydrophobicContact CG2-CD1 3.99Å; T795-I799 VanDerWaalsContact O-CG1 3.29Å; T795-I799 WeakPolarHBondContact O-CG1 3.15Å; T795-I799 PolarHBondContact O-N 3.44Å; T795-G836 WeakPolarHBondContact CG2-O 3.4Å; T795-G836 WeakPolarHBondContact OG1-CA 3.23Å; T795-A840 HydrophobicContact CG2-CB 4.11Å
796	S	82.8	Confident	79	Confident	63 Å²	63	63.1 Å²	63.1	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-41	179.6	-59.7	0	0	0	0	111.9	A792 S793 I794 I799 N800	A792-S796 WeakPolarHBondContact O-CB 3.35Å; A792-S796 PolarHBondContact O-N 3.34Å; A792-S796 PolarHBondContact O-OG 3.32Å; S793-S796 PolarHBondContact O-N 2.94Å; I794-S796 PolarHBondContact O-N 3.25Å; S796-I799 PolarHBondContact O-N 3.44Å; S796-N800 WeakPolarHBondContact O-CB 3.05Å; S796-N800 PolarHBondContact O-N 3.13Å; S796-N800 PolarHBondContact O-ND2 3.41Å
797	Q	83.7	Confident	78	Confident	101 Å²	101	59.8 Å²	59.8	47%	0.472	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-44.5	173.3	-77.1	-178.7	-2.1	0	0	111.4	S793 I794 N800 N801	S793-Q797 WeakPolarHBondContact O-CB 3.41Å; S793-Q797 WeakPolarHBondContact O-CG 3.47Å; S793-Q797 PolarHBondContact O-N 2.84Å; I794-Q797 PolarHBondContact O-N 3.07Å; Q797-N800 PolarHBondContact O-N 3.05Å; Q797-N801 WeakPolarHBondContact O-CB 3.47Å; Q797-N801 PolarHBondContact O-N 3.14Å; Q797-N801 PolarHBondContact O-ND2 3.21Å
798	L	82.2	Confident	77.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-50.9	177.2	-158.7	91.2	0	0	0	110.4	I794 T795 N800 N801 V802 L813 L814 T817 A840 I844	I794-L798 WeakPolarHBondContact O-CB 3.47Å; I794-L798 PolarHBondContact O-N 3.37Å; T795-L798 PolarHBondContact O-N 2.95Å; L798-N800 VanDerWaalsContact C-N 3.32Å; L798-N800 PolarHBondContact O-N 3.07Å; L798-N801 PolarHBondContact O-N 3.2Å; L798-V802 HydrophobicContact CG-CG2 4.44Å; L798-V802 WeakPolarHBondContact O-CB 3.28Å; L798-V802 WeakPolarHBondContact O-CG2 3.38Å; L798-V802 PolarHBondContact O-N 2.83Å; L798-L813 HydrophobicContact CD1-CD2 4.03Å; L798-L813 HydrophobicContact CD1-CG 3.95Å; L798-L813 HydrophobicContact CG-CD2 4.44Å; L798-L814 HydrophobicContact CD1-CD2 4.17Å; L798-L814 HydrophobicContact CD2-CD2 3.88Å; L798-T817 HydrophobicContact CD1-CG2 3.66Å; L798-T817 WeakPolarHBondContact CD1-OG1 3.4Å; L798-A840 HydrophobicContact CB-CB 4.19Å; L798-A840 HydrophobicContact CD2-CB 3.43Å; L798-A840 VanDerWaalsContact CD2-CB 3.43Å; L798-A840 HydrophobicContact CG-CB 4.37Å; L798-I844 HydrophobicContact CD2-CD1 4.43Å
799	I	78.3	Confident	77.2	Confident	47 Å²	47	70.1 Å²	70.1	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-59.1	-42.9	179.6	-67.8	168.7	0	0	0	111.5	T795 S796 A840 I843	T795-I799 HydrophobicContact CG2-CD1 3.99Å; T795-I799 VanDerWaalsContact O-CG1 3.29Å; T795-I799 WeakPolarHBondContact O-CG1 3.15Å; T795-I799 PolarHBondContact O-N 3.44Å; S796-I799 PolarHBondContact O-N 3.44Å; I799-A840 HydrophobicContact CD1-CB 4.18Å; I799-A840 HydrophobicContact CG1-CB 3.66Å; I799-I843 HydrophobicContact CD1-CD1 3.91Å
800	N	80.7	Confident	76.7	Confident	95 Å²	95	64.6 Å²	64.6	51%	0.508	34%	0.336	S	S	.	.	H	α-helix	trans	-71.4	-42.9	-179.7	-76.5	-25.7	0	0	0	112.5	S796 Q797 L798 V802 K803	S796-N800 WeakPolarHBondContact O-CB 3.05Å; S796-N800 PolarHBondContact O-N 3.13Å; S796-N800 PolarHBondContact O-ND2 3.41Å; Q797-N800 PolarHBondContact O-N 3.05Å; L798-N800 VanDerWaalsContact C-N 3.32Å; L798-N800 PolarHBondContact O-N 3.07Å; N800-V802 VanDerWaalsContact C-N 3.26Å; N800-V802 PolarHBondContact O-N 3.22Å; N800-K803 PolarHBondContact O-N 2.87Å
801	N	78.4	Confident	76.2	Confident	75 Å²	75	66.4 Å²	66.4	40%	0.401	35%	0.347	S	S	.	.	H	α-helix	trans	-71.8	-21.5	-178.3	-73.3	-14.8	0	0	0	112.9	Q797 L798 K803 K805 L813	Q797-N801 WeakPolarHBondContact O-CB 3.47Å; Q797-N801 PolarHBondContact O-N 3.14Å; Q797-N801 PolarHBondContact O-ND2 3.21Å; L798-N801 PolarHBondContact O-N 3.2Å; N801-K803 VanDerWaalsContact C-N 3.26Å; N801-K803 PolarHBondContact O-N 3.16Å; N801-K805 WeakPolarHBondContact O-CD 3.31Å; N801-K805 WeakPolarHBondContact O-CE 2.89Å; N801-K805 VanDerWaalsContact O-CG 3.27Å; N801-K805 WeakPolarHBondContact O-CG 3.2Å; N801-L813 HydrophobicContact CB-CD1 4.3Å; N801-L813 HydrophobicContact CB-CD2 3.66Å
802	V	73.2	Confident	76.2	Confident	24 Å²	24	70.4 Å²	70.4	15%	0.145	36%	0.364	C	S	.	.	H	α-helix	trans	-70.8	-23.4	177.8	164.3	0	0	0	0	112.2	L798 N800 N804 K805 L810 L813 I844	L798-V802 HydrophobicContact CG-CG2 4.44Å; L798-V802 WeakPolarHBondContact O-CB 3.28Å; L798-V802 WeakPolarHBondContact O-CG2 3.38Å; L798-V802 PolarHBondContact O-N 2.83Å; N800-V802 VanDerWaalsContact C-N 3.26Å; N800-V802 PolarHBondContact O-N 3.22Å; V802-N804 PolarHBondContact O-N 3.04Å; V802-K805 PolarHBondContact O-N 3.13Å; V802-L810 HydrophobicContact CB-CD1 4.08Å; V802-L810 HydrophobicContact CG1-CD1 3.5Å; V802-L810 HydrophobicContact CG2-CD1 3.69Å; V802-L810 HydrophobicContact CG2-CG 4.38Å; V802-L813 HydrophobicContact CG2-CD2 4.07Å; V802-I844 HydrophobicContact CB-CD1 3.95Å; V802-I844 HydrophobicContact CB-CG1 4.33Å; V802-I844 HydrophobicContact CG1-CB 4.46Å; V802-I844 HydrophobicContact CG1-CD1 3.81Å; V802-I844 HydrophobicContact CG1-CG1 3.83Å; V802-I844 HydrophobicContact CG1-CG2 3.75Å; V802-I844 HydrophobicContact CG2-CD1 3.54Å; V802-I844 HydrophobicContact CG2-CG1 4.44Å
803	K	68	Low	76.3	Confident	146 Å²	146	68.7 Å²	68.7	64%	0.635	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	115.6	176.3	-69.5	179.2	180	170.7	0	109.5	N800 N801 K805	N800-K803 PolarHBondContact O-N 2.87Å; N801-K803 VanDerWaalsContact C-N 3.26Å; N801-K803 PolarHBondContact O-N 3.16Å; K803-K805 PolarHBondContact O-N 2.76Å
804	N	64.8	Low	76.2	Confident	169 Å²	169	68 Å²	68	90%	0.904	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	13.4	175.3	-48.9	-29.5	0	0	0	116.9	V802	V802-N804 PolarHBondContact O-N 3.04Å
805	K	69.7	Low	76.2	Confident	83 Å²	83	71.6 Å²	71.6	36%	0.361	36%	0.359	S	S	.	.			trans	-82.6	144.4	170.7	-78.8	-175.1	-176.6	-101.7	0	111.9	N801 V802 K803 E809 L813	N801-K805 WeakPolarHBondContact O-CD 3.31Å; N801-K805 WeakPolarHBondContact O-CE 2.89Å; N801-K805 VanDerWaalsContact O-CG 3.27Å; N801-K805 WeakPolarHBondContact O-CG 3.2Å; V802-K805 PolarHBondContact O-N 3.13Å; K803-K805 PolarHBondContact O-N 2.76Å; K805-E809 HydrophobicContact CB-CB 4Å; K805-E809 HydrophobicContact CD-CB 4.07Å; K805-E809 HydrophobicContact CG-CB 4.12Å; K805-L813 HydrophobicContact CD-CD2 4.36Å
806	S	68.3	Low	76.5	Confident	58 Å²	58	75.2 Å²	75.2	41%	0.406	38%	0.375	S	S	.	.			trans	-68.3	162.2	167.2	66.8	0	0	0	0	111.2	Y808 E809 L810	S806-Y808 VanDerWaalsContact C-N 3.3Å; S806-Y808 PolarHBondContact O-N 3.02Å; S806-E809 WeakPolarHBondContact CB-OE2 3.35Å; S806-E809 PolarHBondContact N-OE2 2.89Å; S806-E809 PolarHBondContact O-N 3.28Å; S806-E809 VanDerWaalsContact OG-CD 3.28Å; S806-E809 VanDerWaalsContact OG-CG 3.28Å; S806-E809 WeakPolarHBondContact OG-CG 3.42Å; S806-E809 PolarHBondContact OG-OE2 2.85Å; S806-L810 WeakPolarHBondContact O-CB 3.47Å; S806-L810 PolarHBondContact O-N 2.89Å
807	M	63.5	Low	76.6	Confident	30 Å²	30	72.8 Å²	72.8	15%	0.148	36%	0.357	C	S	.	.	H	α-helix	trans	-57.1	-41.8	179.6	179.9	52.2	73.7	0	0	112.9	E809 L810 M811 N929 H932 L933	M807-E809 VanDerWaalsContact C-N 3.34Å; M807-E809 PolarHBondContact O-N 3.44Å; M807-L810 WeakPolarHBondContact O-CB 3.5Å; M807-L810 PolarHBondContact O-N 3.36Å; M807-L810 VanDerWaalsContact O-N 3.15Å; M807-L810 HydrophobicContact SD-CD2 4.29Å; M807-M811 HydrophobicContact CG-SD 4.23Å; M807-M811 PolarHBondContact O-N 3.31Å; M807-M811 HydrophobicContact SD-CG 4.27Å; M807-M811 HydrophobicContact SD-SD 4.39Å; M807-N929 HydrophobicContact CE-CB 3.9Å; M807-N929 WeakPolarHBondContact CE-O 3.42Å; M807-H932 HydrophobicContact CE-CB 3.84Å; M807-H932 HydrophobicContact SD-CB 3.98Å; M807-L933 HydrophobicContact CE-CD1 4.44Å
808	Y	70.8	Confident	76.7	Confident	174 Å²	174	69.5 Å²	69.5	68%	0.682	35%	0.345	S	S	*	.	H	α-helix	trans	-60.9	-45	178.1	178.9	-95.9	0	0	0	111.3	S806 L810 M811 Q812	S806-Y808 VanDerWaalsContact C-N 3.3Å; S806-Y808 PolarHBondContact O-N 3.02Å; Y808-L810 VanDerWaalsContact C-N 3.28Å; Y808-L810 PolarHBondContact O-N 3.31Å; Y808-M811 PolarHBondContact O-N 3.08Å; Y808-Q812 WeakPolarHBondContact O-CB 3.32Å; Y808-Q812 PolarHBondContact O-N 2.81Å
809	E	76.7	Confident	77	Confident	81 Å²	81	77.1 Å²	77.1	38%	0.379	37%	0.374	S	S	.	.	H	α-helix	trans	-66.9	-30.4	176.3	-66.1	167.9	130.3	0	0	112.3	K805 S806 M807 L813	K805-E809 HydrophobicContact CB-CB 4Å; K805-E809 HydrophobicContact CD-CB 4.07Å; K805-E809 HydrophobicContact CG-CB 4.12Å; S806-E809 WeakPolarHBondContact CB-OE2 3.35Å; S806-E809 PolarHBondContact N-OE2 2.89Å; S806-E809 PolarHBondContact O-N 3.28Å; S806-E809 VanDerWaalsContact OG-CD 3.28Å; S806-E809 VanDerWaalsContact OG-CG 3.28Å; S806-E809 WeakPolarHBondContact OG-CG 3.42Å; S806-E809 PolarHBondContact OG-OE2 2.85Å; M807-E809 VanDerWaalsContact C-N 3.34Å; M807-E809 PolarHBondContact O-N 3.44Å; E809-L813 VanDerWaalsContact O-CB 3.26Å; E809-L813 WeakPolarHBondContact O-CB 3.45Å; E809-L813 PolarHBondContact O-N 3.48Å
810	L	73	Confident	77.5	Confident	13 Å²	13	77.5 Å²	77.5	7%	0.068	38%	0.379	C	S	.	.	H	α-helix	trans	-70.6	-44.2	176.3	-164.1	123.5	0	0	0	111.6	V802 S806 M807 Y808 Q812 L813 L814 L933	V802-L810 HydrophobicContact CB-CD1 4.08Å; V802-L810 HydrophobicContact CG1-CD1 3.5Å; V802-L810 HydrophobicContact CG2-CD1 3.69Å; V802-L810 HydrophobicContact CG2-CG 4.38Å; S806-L810 WeakPolarHBondContact O-CB 3.47Å; S806-L810 PolarHBondContact O-N 2.89Å; M807-L810 WeakPolarHBondContact O-CB 3.5Å; M807-L810 PolarHBondContact O-N 3.36Å; M807-L810 VanDerWaalsContact O-N 3.15Å; M807-L810 HydrophobicContact SD-CD2 4.29Å; Y808-L810 VanDerWaalsContact C-N 3.28Å; Y808-L810 PolarHBondContact O-N 3.31Å; L810-Q812 VanDerWaalsContact C-N 3.34Å; L810-L813 PolarHBondContact O-N 3.08Å; L810-L814 HydrophobicContact CD2-CD1 3.86Å; L810-L814 WeakPolarHBondContact O-CB 3.49Å; L810-L814 WeakPolarHBondContact O-CG 3.3Å; L810-L814 PolarHBondContact O-N 2.62Å; L810-L933 HydrophobicContact CD2-CD1 4.34Å; L810-L933 HydrophobicContact CD2-CD2 3.95Å; L810-L933 HydrophobicContact CD2-CG 4.08Å
811	M	74	Confident	77.7	Confident	97 Å²	97	73 Å²	73	48%	0.478	35%	0.354	S	S	.	.	H	α-helix	trans	-62.3	-41.3	172.9	-78.8	167.3	57.1	0	0	111.5	M807 Y808 L814 N815	M807-M811 HydrophobicContact CG-SD 4.23Å; M807-M811 PolarHBondContact O-N 3.31Å; M807-M811 HydrophobicContact SD-CG 4.27Å; M807-M811 HydrophobicContact SD-SD 4.39Å; Y808-M811 PolarHBondContact O-N 3.08Å; M811-L814 PolarHBondContact O-N 3.09Å; M811-N815 WeakPolarHBondContact O-CB 3.44Å; M811-N815 PolarHBondContact O-N 3.08Å
812	Q	82.2	Confident	78.1	Confident	89 Å²	89	73 Å²	73	42%	0.416	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-46.2	175.4	-172.6	179.1	-18.3	0	0	111.2	Y808 L810 L814 N815 E816	Y808-Q812 WeakPolarHBondContact O-CB 3.32Å; Y808-Q812 PolarHBondContact O-N 2.81Å; L810-Q812 VanDerWaalsContact C-N 3.34Å; Q812-L814 PolarHBondContact O-N 3.2Å; Q812-N815 PolarHBondContact O-N 3.44Å; Q812-E816 WeakPolarHBondContact CG-OE1 3.44Å; Q812-E816 PolarHBondContact NE2-OE1 3.42Å; Q812-E816 WeakPolarHBondContact O-CG 3.09Å; Q812-E816 PolarHBondContact O-N 3.43Å
813	L	82.6	Confident	78.8	Confident	16 Å²	16	78.7 Å²	78.7	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-42	176.7	-177.3	72.1	0	0	0	112.2	L798 N801 V802 K805 E809 L810 N815 E816 T817	L798-L813 HydrophobicContact CD1-CD2 4.03Å; L798-L813 HydrophobicContact CD1-CG 3.95Å; L798-L813 HydrophobicContact CG-CD2 4.44Å; N801-L813 HydrophobicContact CB-CD1 4.3Å; N801-L813 HydrophobicContact CB-CD2 3.66Å; V802-L813 HydrophobicContact CG2-CD2 4.07Å; K805-L813 HydrophobicContact CD-CD2 4.36Å; E809-L813 VanDerWaalsContact O-CB 3.26Å; E809-L813 WeakPolarHBondContact O-CB 3.45Å; E809-L813 PolarHBondContact O-N 3.48Å; L810-L813 PolarHBondContact O-N 3.08Å; L813-N815 VanDerWaalsContact C-N 3.34Å; L813-E816 PolarHBondContact O-N 2.96Å; L813-T817 WeakPolarHBondContact O-CB 3.44Å; L813-T817 PolarHBondContact O-N 2.81Å; L813-T817 PolarHBondContact O-OG1 3.13Å
814	L	82.1	Confident	79.5	Confident	43 Å²	43	73.8 Å²	73.8	23%	0.225	36%	0.363	C	S	.	.	H	α-helix	trans	-63.8	-38.8	175.4	-78.7	168.8	0	0	0	111.8	L798 L810 M811 Q812 T817 S818 I837 V841	L798-L814 HydrophobicContact CD1-CD2 4.17Å; L798-L814 HydrophobicContact CD2-CD2 3.88Å; L810-L814 HydrophobicContact CD2-CD1 3.86Å; L810-L814 WeakPolarHBondContact O-CB 3.49Å; L810-L814 WeakPolarHBondContact O-CG 3.3Å; L810-L814 PolarHBondContact O-N 2.62Å; M811-L814 PolarHBondContact O-N 3.09Å; Q812-L814 PolarHBondContact O-N 3.2Å; L814-T817 VanDerWaalsContact CA-OG1 3.32Å; L814-T817 WeakPolarHBondContact CA-OG1 3.47Å; L814-T817 PolarHBondContact O-OG1 2.92Å; L814-T817 VanDerWaalsContact O-OG1 3.12Å; L814-S818 WeakPolarHBondContact O-CB 3.27Å; L814-S818 PolarHBondContact O-N 2.88Å; L814-I837 HydrophobicContact CD2-CG2 3.89Å; L814-V841 HydrophobicContact CD2-CG2 3.83Å
815	N	84.3	Confident	80.1	Confident	84 Å²	84	71.2 Å²	71.2	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-69.2	-42.8	176.6	-165.2	6.7	0	0	0	111.6	M811 Q812 L813 S818 R819	M811-N815 WeakPolarHBondContact O-CB 3.44Å; M811-N815 PolarHBondContact O-N 3.08Å; Q812-N815 PolarHBondContact O-N 3.44Å; L813-N815 VanDerWaalsContact C-N 3.34Å; N815-S818 PolarHBondContact O-N 3.39Å; N815-R819 WeakPolarHBondContact O-CG 3.32Å; N815-R819 PolarHBondContact O-N 3.46Å
816	E	86.5	Confident	80.4	Confident	90 Å²	90	70.1 Å²	70.1	42%	0.421	35%	0.353	S	S	.	.	H	α-helix	trans	-62.1	-43.4	175.1	-74.2	170.9	-171.1	0	0	112	Q812 L813 R819 T820	Q812-E816 WeakPolarHBondContact CG-OE1 3.44Å; Q812-E816 PolarHBondContact NE2-OE1 3.42Å; Q812-E816 WeakPolarHBondContact O-CG 3.09Å; Q812-E816 PolarHBondContact O-N 3.43Å; L813-E816 PolarHBondContact O-N 2.96Å; E816-R819 PolarHBondContact O-N 3.5Å; E816-T820 WeakPolarHBondContact O-CB 3.43Å; E816-T820 PolarHBondContact O-N 3.15Å; E816-T820 PolarHBondContact O-OG1 3.22Å
817	T	85.6	Confident	80.7	Confident	12 Å²	12	72 Å²	72	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-69.2	-38.6	175.1	40.4	0	0	0	0	112.3	I794 L798 L813 L814 R819 T820 C821	I794-T817 HydrophobicContact CG2-CG2 3.97Å; L798-T817 HydrophobicContact CD1-CG2 3.66Å; L798-T817 WeakPolarHBondContact CD1-OG1 3.4Å; L813-T817 WeakPolarHBondContact O-CB 3.44Å; L813-T817 PolarHBondContact O-N 2.81Å; L813-T817 PolarHBondContact O-OG1 3.13Å; L814-T817 VanDerWaalsContact CA-OG1 3.32Å; L814-T817 WeakPolarHBondContact CA-OG1 3.47Å; L814-T817 PolarHBondContact O-OG1 2.92Å; L814-T817 VanDerWaalsContact O-OG1 3.12Å; T817-R819 PolarHBondContact O-N 3.19Å; T817-T820 WeakPolarHBondContact O-CB 3.46Å; T817-T820 PolarHBondContact O-N 3.03Å; T817-C821 PolarHBondContact O-N 3.42Å; T817-C821 PolarHBondContact O-SG 2.9Å; T817-C821 VanDerWaalsContact O-SG 3.35Å
818	S	86	Confident	81.1	Confident	32 Å²	32	73.1 Å²	73.1	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-59.1	-43.9	172.1	174.2	0	0	0	0	112.1	L814 N815 C821 N822	L814-S818 WeakPolarHBondContact O-CB 3.27Å; L814-S818 PolarHBondContact O-N 2.88Å; N815-S818 PolarHBondContact O-N 3.39Å; S818-C821 PolarHBondContact O-N 3.26Å; S818-N822 WeakPolarHBondContact O-CB 3.42Å; S818-N822 PolarHBondContact O-N 3.39Å; S818-N822 PolarHBondContact O-ND2 2.83Å; S818-N822 VanDerWaalsContact O-ND2 3.12Å
819	R	88.2	Confident	81.5	Confident	162 Å²	162	64.9 Å²	64.9	61%	0.611	34%	0.337	S	S	*	.	H	α-helix	trans	-60.8	-44.8	173.2	-73.3	175.5	-176.1	-173.8	-1.7	111.5	N815 E816 T817 C821 N822 L823	N815-R819 WeakPolarHBondContact O-CG 3.32Å; N815-R819 PolarHBondContact O-N 3.46Å; E816-R819 PolarHBondContact O-N 3.5Å; T817-R819 PolarHBondContact O-N 3.19Å; R819-C821 VanDerWaalsContact C-N 3.32Å; R819-C821 PolarHBondContact O-N 3.27Å; R819-N822 PolarHBondContact O-N 3.48Å; R819-N822 VanDerWaalsContact O-N 3.13Å; R819-L823 WeakPolarHBondContact O-CG 3.4Å; R819-L823 PolarHBondContact O-N 2.8Å; R819-L823 VanDerWaalsContact O-N 3.1Å
820	T	88.2	Confident	81.7	Confident	54 Å²	54	64.8 Å²	64.8	33%	0.331	34%	0.336	S	S	.	.	H	α-helix	trans	-61.1	-39.1	177.2	-56.6	0	0	0	0	112.1	F790 I794 E816 T817	F790-T820 HydrophobicContact CE2-CG2 4.28Å; F790-T820 HydrophobicContact CZ-CG2 3.76Å; I794-T820 HydrophobicContact CD1-CG2 3.95Å; E816-T820 WeakPolarHBondContact O-CB 3.43Å; E816-T820 PolarHBondContact O-N 3.15Å; E816-T820 PolarHBondContact O-OG1 3.22Å; T817-T820 WeakPolarHBondContact O-CB 3.46Å; T817-T820 PolarHBondContact O-N 3.03Å
821	C	86.1	Confident	81.7	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-69.6	-36.6	172.9	-65.7	0	0	0	0	112.7	T817 S818 R819 L823 Q824 C833 F834 I837	T817-C821 PolarHBondContact O-N 3.42Å; T817-C821 PolarHBondContact O-SG 2.9Å; T817-C821 VanDerWaalsContact O-SG 3.35Å; S818-C821 PolarHBondContact O-N 3.26Å; R819-C821 VanDerWaalsContact C-N 3.32Å; R819-C821 PolarHBondContact O-N 3.27Å; C821-L823 VanDerWaalsContact C-N 3.28Å; C821-L823 PolarHBondContact O-N 2.84Å; C821-Q824 WeakPolarHBondContact O-CB 3.43Å; C821-Q824 WeakPolarHBondContact O-CG 3.22Å; C821-Q824 PolarHBondContact O-N 3.25Å; C821-C833 WeakPolarHBondContact CA-SG 3.42Å; C821-C833 HydrophobicContact CB-CB 3.65Å; C821-C833 WeakPolarHBondContact CB-SG 3.35Å; C821-C833 WeakPolarHBondContact SG-CB 3.11Å; C821-C833 CovalentContact SG-SG 2.03Å; C821-C833 PolarHBondContact SG-SG 3.33Å; C821-F834 HydrophobicContact CB-CD2 4.12Å; C821-F834 HydrophobicContact CB-CE1 4.27Å; C821-F834 HydrophobicContact CB-CE2 3.76Å; C821-F834 HydrophobicContact CB-CG 4.49Å; C821-F834 HydrophobicContact CB-CZ 3.84Å; C821-I837 WeakPolarHBondContact SG-CD1 2.97Å
822	N	85.6	Confident	81.8	Confident	77 Å²	77	64.7 Å²	64.7	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-67.5	-25.5	177.8	-83.2	-47.5	0	0	0	113.5	S818 R819 Q824 K830	S818-N822 WeakPolarHBondContact O-CB 3.42Å; S818-N822 PolarHBondContact O-N 3.39Å; S818-N822 PolarHBondContact O-ND2 2.83Å; S818-N822 VanDerWaalsContact O-ND2 3.12Å; R819-N822 PolarHBondContact O-N 3.48Å; R819-N822 VanDerWaalsContact O-N 3.13Å; N822-Q824 PolarHBondContact O-N 2.87Å; N822-K830 WeakPolarHBondContact OD1-CE 3.17Å; N822-K830 PolarHBondContact OD1-NZ 2.95Å
823	L	88.1	Confident	81.9	Confident	143 Å²	143	60.4 Å²	60.4	75%	0.749	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.8	175.9	-69.4	170.7	0	0	0	113.6	R819 C821	R819-L823 WeakPolarHBondContact O-CG 3.4Å; R819-L823 PolarHBondContact O-N 2.8Å; R819-L823 VanDerWaalsContact O-N 3.1Å; C821-L823 VanDerWaalsContact C-N 3.28Å; C821-L823 PolarHBondContact O-N 2.84Å
824	Q	82.5	Confident	81.8	Confident	43 Å²	43	62.9 Å²	62.9	20%	0.201	33%	0.331	C	S	.	.			trans	-68.1	126.9	179.4	-67.3	-57	-54.1	0	0	111.1	F790 C821 N822 L826 S829 K830	F790-Q824 HydrophobicContact CD1-CG 4.41Å; F790-Q824 HydrophobicContact CE1-CG 3.76Å; F790-Q824 HydrophobicContact CZ-CG 4.44Å; C821-Q824 WeakPolarHBondContact O-CB 3.43Å; C821-Q824 WeakPolarHBondContact O-CG 3.22Å; C821-Q824 PolarHBondContact O-N 3.25Å; N822-Q824 PolarHBondContact O-N 2.87Å; Q824-L826 VanDerWaalsContact C-N 3.31Å; Q824-L826 PolarHBondContact O-N 3.22Å; Q824-S829 PolarHBondContact OE1-OG 2.93Å; Q824-K830 HydrophobicContact CB-CB 4.33Å
825	P	78.1	Confident	81.4	Confident	115 Å²	115	63.8 Å²	63.8	75%	0.747	34%	0.34	S	S	*	.	S	Bend	trans	-72	-26.2	-171.8	27	-34.2	0	0	0	113.1
826	L	75.7	Confident	81	Confident	60 Å²	60	60.1 Å²	60.1	31%	0.314	32%	0.323	S	S	.	.	S	Bend	trans	-104	132.6	-175.6	-61.6	169.9	0	0	0	110	Q824 Y828 S829 K830	Q824-L826 VanDerWaalsContact C-N 3.31Å; Q824-L826 PolarHBondContact O-N 3.22Å; L826-Y828 VanDerWaalsContact C-N 3.28Å; L826-Y828 HydrophobicContact CB-CD1 4.02Å; L826-Y828 HydrophobicContact CB-CE1 3.73Å; L826-Y828 HydrophobicContact CD1-CE1 3.7Å; L826-Y828 HydrophobicContact CD1-CE2 4.49Å; L826-Y828 WeakPolarHBondContact CD1-OH 3.44Å; L826-Y828 HydrophobicContact CD2-CE1 4.47Å; L826-Y828 HydrophobicContact CG-CE1 4.16Å; L826-Y828 PolarHBondContact O-N 3.45Å; L826-S829 WeakPolarHBondContact O-CB 3.44Å; L826-S829 PolarHBondContact O-N 2.88Å; L826-K830 PolarHBondContact O-N 3.23Å; L826-K830 VanDerWaalsContact O-N 3.11Å
827	S	74.6	Confident	80.7	Confident	98 Å²	98	56.7 Å²	56.7	69%	0.685	31%	0.307	S	S	*	.	H	α-helix	trans	-53.6	-42	-179	179.3	0	0	0	0	112.9	S829 K830 T831	S827-S829 PolarHBondContact O-N 3.15Å; S827-K830 WeakPolarHBondContact O-CB 3.29Å; S827-K830 PolarHBondContact O-N 3.36Å; S827-T831 PolarHBondContact O-N 2.96Å; S827-T831 VanDerWaalsContact O-N 3.08Å; S827-T831 PolarHBondContact O-OG1 3.33Å; S827-T831 VanDerWaalsContact O-OG1 3.08Å
828	Y	73	Confident	80.1	Confident	52 Å²	52	65.7 Å²	65.7	20%	0.204	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-33	177.9	69.3	-101.3	0	0	0	113.1	F704 F784 L826 K830 T831 L832	F704-Y828 HydrophobicContact CD2-CD1 4.47Å; F704-Y828 HydrophobicContact CD2-CG 4.07Å; F704-Y828 AromaticContact CE2-CD1 3.8Å; F704-Y828 HydrophobicContact CE2-CD1 3.8Å; F704-Y828 AromaticContact CE2-CD2 3.81Å; F704-Y828 HydrophobicContact CE2-CD2 3.81Å; F704-Y828 HydrophobicContact CE2-CE1 4.24Å; F704-Y828 HydrophobicContact CE2-CE2 4.29Å; F704-Y828 AromaticContact CE2-CG 3.55Å; F704-Y828 HydrophobicContact CE2-CG 3.55Å; F784-Y828 HydrophobicContact CB-CE2 4.43Å; F784-Y828 HydrophobicContact CD2-CD2 4Å; F784-Y828 AromaticContact CD2-CE2 3.95Å; F784-Y828 HydrophobicContact CD2-CE2 3.95Å; L826-Y828 VanDerWaalsContact C-N 3.28Å; L826-Y828 HydrophobicContact CB-CD1 4.02Å; L826-Y828 HydrophobicContact CB-CE1 3.73Å; L826-Y828 HydrophobicContact CD1-CE1 3.7Å; L826-Y828 HydrophobicContact CD1-CE2 4.49Å; L826-Y828 WeakPolarHBondContact CD1-OH 3.44Å; L826-Y828 HydrophobicContact CD2-CE1 4.47Å; L826-Y828 HydrophobicContact CG-CE1 4.16Å; L826-Y828 PolarHBondContact O-N 3.45Å; Y828-K830 VanDerWaalsContact C-N 3.34Å; Y828-T831 PolarHBondContact O-N 3.1Å; Y828-L832 HydrophobicContact CD2-CD1 4.22Å; Y828-L832 WeakPolarHBondContact O-CB 3.36Å; Y828-L832 WeakPolarHBondContact O-CG 3.4Å; Y828-L832 PolarHBondContact O-N 2.96Å
829	S	79	Confident	79.6	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.007	34%	0.34	C	S	.	.	H	α-helix	trans	-65.9	-42.3	177.5	179.7	0	0	0	0	110.2	Q824 L826 S827 T831 L832 C833	Q824-S829 PolarHBondContact OE1-OG 2.93Å; L826-S829 WeakPolarHBondContact O-CB 3.44Å; L826-S829 PolarHBondContact O-N 2.88Å; S827-S829 PolarHBondContact O-N 3.15Å; S829-T831 PolarHBondContact O-N 2.97Å; S829-L832 PolarHBondContact O-N 2.86Å; S829-C833 WeakPolarHBondContact O-CB 3.31Å; S829-C833 PolarHBondContact O-N 3.49Å
830	K	79.7	Confident	79	Confident	80 Å²	80	59.1 Å²	59.1	35%	0.348	31%	0.311	S	S	.	.	H	α-helix	trans	-56.4	-49.2	171.2	-174.1	175.4	-179.1	170.1	0	111.1	N822 Q824 L826 S827 Y828 C833 F834	N822-K830 WeakPolarHBondContact OD1-CE 3.17Å; N822-K830 PolarHBondContact OD1-NZ 2.95Å; Q824-K830 HydrophobicContact CB-CB 4.33Å; L826-K830 PolarHBondContact O-N 3.23Å; L826-K830 VanDerWaalsContact O-N 3.11Å; S827-K830 WeakPolarHBondContact O-CB 3.29Å; S827-K830 PolarHBondContact O-N 3.36Å; Y828-K830 VanDerWaalsContact C-N 3.34Å; K830-C833 PolarHBondContact O-N 2.75Å; K830-F834 HydrophobicContact CD-CE2 4.26Å; K830-F834 HydrophobicContact CG-CD2 3.74Å; K830-F834 HydrophobicContact CG-CE2 3.58Å; K830-F834 WeakPolarHBondContact O-CD2 3.47Å; K830-F834 PolarHBondContact O-N 3.35Å
831	T	72.8	Confident	78.4	Confident	91 Å²	91	58.1 Å²	58.1	56%	0.558	31%	0.305	S	S	*	.	H	α-helix	trans	-61.6	-44.7	178.7	-57.6	0	0	0	0	112.9	S827 Y828 S829 C833 F834 S835	S827-T831 PolarHBondContact O-N 2.96Å; S827-T831 VanDerWaalsContact O-N 3.08Å; S827-T831 PolarHBondContact O-OG1 3.33Å; S827-T831 VanDerWaalsContact O-OG1 3.08Å; Y828-T831 PolarHBondContact O-N 3.1Å; S829-T831 PolarHBondContact O-N 2.97Å; T831-C833 VanDerWaalsContact C-N 3.34Å; T831-C833 PolarHBondContact O-N 2.86Å; T831-F834 PolarHBondContact O-N 3.41Å; T831-S835 VanDerWaalsContact O-CB 3.31Å; T831-S835 WeakPolarHBondContact O-CB 3.14Å; T831-S835 PolarHBondContact O-N 3.22Å
832	L	77	Confident	77.6	Confident	16 Å²	16	65 Å²	65	8%	0.084	34%	0.335	C	S	.	.	H	α-helix	trans	-58.5	-45.8	174.7	-82	170.2	0	0	0	111.4	F760 P761 F784 A791 Y828 S829 S835 G836	F760-L832 HydrophobicContact CD1-CD2 3.64Å; F760-L832 HydrophobicContact CE1-CD2 3.56Å; F760-L832 HydrophobicContact CE1-CG 4.12Å; P761-L832 HydrophobicContact CG-CD2 4.27Å; F784-L832 HydrophobicContact CD2-CD1 4.29Å; F784-L832 HydrophobicContact CE2-CD1 3.79Å; F784-L832 HydrophobicContact CZ-CD1 4.3Å; A791-L832 HydrophobicContact CB-CB 3.95Å; Y828-L832 HydrophobicContact CD2-CD1 4.22Å; Y828-L832 WeakPolarHBondContact O-CB 3.36Å; Y828-L832 WeakPolarHBondContact O-CG 3.4Å; Y828-L832 PolarHBondContact O-N 2.96Å; S829-L832 PolarHBondContact O-N 2.86Å; L832-S835 WeakPolarHBondContact O-CB 3.39Å; L832-S835 PolarHBondContact O-N 3.36Å; L832-G836 PolarHBondContact O-N 2.93Å
833	C	83.9	Confident	76.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-47.2	180	-165.4	0	0	0	0	112	F790 C821 S829 K830 T831 S835 G836 I837	F790-C833 HydrophobicContact CE1-CB 4.36Å; C821-C833 WeakPolarHBondContact CA-SG 3.42Å; C821-C833 HydrophobicContact CB-CB 3.65Å; C821-C833 WeakPolarHBondContact CB-SG 3.35Å; C821-C833 WeakPolarHBondContact SG-CB 3.11Å; C821-C833 CovalentContact SG-SG 2.03Å; C821-C833 PolarHBondContact SG-SG 3.33Å; S829-C833 WeakPolarHBondContact O-CB 3.31Å; S829-C833 PolarHBondContact O-N 3.49Å; K830-C833 PolarHBondContact O-N 2.75Å; T831-C833 VanDerWaalsContact C-N 3.34Å; T831-C833 PolarHBondContact O-N 2.86Å; C833-S835 PolarHBondContact O-N 3.45Å; C833-G836 WeakPolarHBondContact O-CA 3.29Å; C833-G836 PolarHBondContact O-N 3.33Å; C833-I837 PolarHBondContact O-N 2.9Å
834	F	80.3	Confident	76.2	Confident	68 Å²	68	58.4 Å²	58.4	30%	0.298	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-34.5	175.8	-79.1	-68.3	0	0	0	113.3	C821 K830 T831 G836 I837 R838	C821-F834 HydrophobicContact CB-CD2 4.12Å; C821-F834 HydrophobicContact CB-CE1 4.27Å; C821-F834 HydrophobicContact CB-CE2 3.76Å; C821-F834 HydrophobicContact CB-CG 4.49Å; C821-F834 HydrophobicContact CB-CZ 3.84Å; K830-F834 HydrophobicContact CD-CE2 4.26Å; K830-F834 HydrophobicContact CG-CD2 3.74Å; K830-F834 HydrophobicContact CG-CE2 3.58Å; K830-F834 WeakPolarHBondContact O-CD2 3.47Å; K830-F834 PolarHBondContact O-N 3.35Å; T831-F834 PolarHBondContact O-N 3.41Å; F834-G836 VanDerWaalsContact C-N 3.31Å; F834-I837 HydrophobicContact CD1-CD1 4.12Å; F834-I837 HydrophobicContact CE1-CD1 4.36Å; F834-I837 PolarHBondContact O-N 2.85Å; F834-R838 PolarHBondContact O-N 3.06Å
835	S	73.3	Confident	75.6	Confident	62 Å²	62	57.2 Å²	57.2	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-42.7	171.5	-174	0	0	0	0	111.1	T831 L832 C833 R838 K839	T831-S835 VanDerWaalsContact O-CB 3.31Å; T831-S835 WeakPolarHBondContact O-CB 3.14Å; T831-S835 PolarHBondContact O-N 3.22Å; L832-S835 WeakPolarHBondContact O-CB 3.39Å; L832-S835 PolarHBondContact O-N 3.36Å; C833-S835 PolarHBondContact O-N 3.45Å; S835-R838 PolarHBondContact O-N 3.09Å; S835-K839 WeakPolarHBondContact O-CB 3.43Å; S835-K839 PolarHBondContact O-N 3.47Å
836	G	77	Confident	75.2	Confident	7 Å²	7	56.9 Å²	56.9	7%	0.072	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-47.1	172	0	0	0	0	0	113.4	T795 L832 C833 F834 R838 K839 A840	T795-G836 WeakPolarHBondContact CG2-O 3.4Å; T795-G836 WeakPolarHBondContact OG1-CA 3.23Å; L832-G836 PolarHBondContact O-N 2.93Å; C833-G836 WeakPolarHBondContact O-CA 3.29Å; C833-G836 PolarHBondContact O-N 3.33Å; F834-G836 VanDerWaalsContact C-N 3.31Å; G836-R838 VanDerWaalsContact C-N 3.35Å; G836-R838 PolarHBondContact O-N 3.38Å; G836-K839 WeakPolarHBondContact O-CB 3.5Å; G836-K839 PolarHBondContact O-N 3.04Å; G836-A840 PolarHBondContact O-N 2.75Å
837	I	79.3	Confident	75	Confident	18 Å²	18	58 Å²	58	9%	0.092	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-48.4	173.7	-67.7	174.4	0	0	0	110.5	L814 C821 C833 F834 K839 A840 V841	L814-I837 HydrophobicContact CD2-CG2 3.89Å; C821-I837 WeakPolarHBondContact SG-CD1 2.97Å; C833-I837 PolarHBondContact O-N 2.9Å; F834-I837 HydrophobicContact CD1-CD1 4.12Å; F834-I837 HydrophobicContact CE1-CD1 4.36Å; F834-I837 PolarHBondContact O-N 2.85Å; I837-K839 VanDerWaalsContact C-N 3.32Å; I837-K839 PolarHBondContact O-N 3.12Å; I837-A840 PolarHBondContact O-N 3.19Å; I837-V841 HydrophobicContact CG2-CG2 4.24Å; I837-V841 WeakPolarHBondContact O-CG2 3.49Å; I837-V841 PolarHBondContact O-N 3.38Å
838	R	74.8	Confident	74.8	Confident	200 Å²	200	55.3 Å²	55.3	76%	0.755	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-40.9	179.7	-168.2	178.4	-176.8	179.7	1.4	111.9	F834 S835 G836 V841 F842	F834-R838 PolarHBondContact O-N 3.06Å; S835-R838 PolarHBondContact O-N 3.09Å; G836-R838 VanDerWaalsContact C-N 3.35Å; G836-R838 PolarHBondContact O-N 3.38Å; R838-V841 PolarHBondContact O-N 2.87Å; R838-F842 WeakPolarHBondContact O-CB 3.33Å; R838-F842 PolarHBondContact O-N 2.94Å
839	K	73.7	Confident	74.4	Confident	57 Å²	57	55.7 Å²	55.7	25%	0.248	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-46.7	174.6	-175.4	178.8	-178.1	178.7	0	111.1	T757 D758 S835 G836 I837 F842 I843	T757-K839 VanDerWaalsContact CB-NZ 3.34Å; T757-K839 PolarHBondContact O-NZ 3.19Å; T757-K839 WeakPolarHBondContact OG1-CE 3.18Å; T757-K839 PolarHBondContact OG1-NZ 3.15Å; D758-K839 VanDerWaalsContact CG-NZ 3.31Å; D758-K839 IonicContact OD1-NZ 2.66Å; D758-K839 PolarHBondContact OD1-NZ 2.97Å; D758-K839 IonicContact OD2-NZ 3.4Å; D758-K839 PolarHBondContact OD2-NZ 3.41Å; S835-K839 WeakPolarHBondContact O-CB 3.43Å; S835-K839 PolarHBondContact O-N 3.47Å; G836-K839 WeakPolarHBondContact O-CB 3.5Å; G836-K839 PolarHBondContact O-N 3.04Å; I837-K839 VanDerWaalsContact C-N 3.32Å; I837-K839 PolarHBondContact O-N 3.12Å; K839-F842 PolarHBondContact O-N 3.04Å; K839-I843 HydrophobicContact CG-CD1 4.04Å; K839-I843 VanDerWaalsContact O-CG1 3.29Å; K839-I843 WeakPolarHBondContact O-CG1 3.49Å; K839-I843 PolarHBondContact O-N 2.75Å
840	A	76.3	Confident	73.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-48.6	177.1	0	0	0	0	0	111.7	T795 L798 I799 G836 I837 F842 I843 I844	T795-A840 HydrophobicContact CG2-CB 4.11Å; L798-A840 HydrophobicContact CB-CB 4.19Å; L798-A840 HydrophobicContact CD2-CB 3.43Å; L798-A840 VanDerWaalsContact CD2-CB 3.43Å; L798-A840 HydrophobicContact CG-CB 4.37Å; I799-A840 HydrophobicContact CD1-CB 4.18Å; I799-A840 HydrophobicContact CG1-CB 3.66Å; G836-A840 PolarHBondContact O-N 2.75Å; I837-A840 PolarHBondContact O-N 3.19Å; A840-F842 VanDerWaalsContact C-N 3.29Å; A840-F842 PolarHBondContact O-N 2.99Å; A840-I843 PolarHBondContact O-N 3.35Å; A840-I844 HydrophobicContact CB-CD1 4.46Å; A840-I844 WeakPolarHBondContact O-CB 3.45Å; A840-I844 WeakPolarHBondContact O-CD1 3.33Å; A840-I844 WeakPolarHBondContact O-CG1 3.5Å; A840-I844 PolarHBondContact O-N 2.77Å
841	V	74.8	Confident	73.3	Confident	33 Å²	33	62.9 Å²	62.9	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-55.6	-44.4	175.8	169.2	0	0	0	0	111.1	L814 I837 R838 I844 A845 L933	L814-V841 HydrophobicContact CD2-CG2 3.83Å; I837-V841 HydrophobicContact CG2-CG2 4.24Å; I837-V841 WeakPolarHBondContact O-CG2 3.49Å; I837-V841 PolarHBondContact O-N 3.38Å; R838-V841 PolarHBondContact O-N 2.87Å; V841-I844 PolarHBondContact O-N 2.64Å; V841-A845 VanDerWaalsContact O-CB 3.28Å; V841-A845 WeakPolarHBondContact O-CB 3.4Å; V841-A845 PolarHBondContact O-N 3.26Å; V841-L933 HydrophobicContact CG1-CD2 3.95Å
842	F	69.5	Low	73	Confident	144 Å²	144	60.4 Å²	60.4	63%	0.632	29%	0.286	S	S	*	.	H	α-helix	trans	-61.3	-47.8	176.4	179.3	-94.3	0	0	0	112.5	R838 K839 A840 I844 A845 H846	R838-F842 WeakPolarHBondContact O-CB 3.33Å; R838-F842 PolarHBondContact O-N 2.94Å; K839-F842 PolarHBondContact O-N 3.04Å; A840-F842 VanDerWaalsContact C-N 3.29Å; A840-F842 PolarHBondContact O-N 2.99Å; F842-I844 VanDerWaalsContact C-N 3.31Å; F842-I844 PolarHBondContact O-N 2.89Å; F842-A845 PolarHBondContact O-N 2.93Å; F842-H846 VanDerWaalsContact O-CB 3.32Å; F842-H846 WeakPolarHBondContact O-CB 3.47Å; F842-H846 PolarHBondContact O-N 3.36Å
843	I	72.4	Confident	72.2	Confident	67 Å²	67	64.8 Å²	64.8	34%	0.344	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-43.4	177.7	-69.4	165.8	0	0	0	110.6	I799 K839 A840 H846 E847	I799-I843 HydrophobicContact CD1-CD1 3.91Å; K839-I843 HydrophobicContact CG-CD1 4.04Å; K839-I843 VanDerWaalsContact O-CG1 3.29Å; K839-I843 WeakPolarHBondContact O-CG1 3.49Å; K839-I843 PolarHBondContact O-N 2.75Å; A840-I843 PolarHBondContact O-N 3.35Å; I843-H846 PolarHBondContact O-N 3.39Å; I843-E847 PolarHBondContact O-N 2.98Å
844	I	72.2	Confident	71.4	Confident	15 Å²	15	69 Å²	69	8%	0.077	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-49.1	178.8	-67.1	157.5	0	0	0	110.8	L798 V802 A840 V841 F842 H846 E847 L848 L933	L798-I844 HydrophobicContact CD2-CD1 4.43Å; V802-I844 HydrophobicContact CB-CD1 3.95Å; V802-I844 HydrophobicContact CB-CG1 4.33Å; V802-I844 HydrophobicContact CG1-CB 4.46Å; V802-I844 HydrophobicContact CG1-CD1 3.81Å; V802-I844 HydrophobicContact CG1-CG1 3.83Å; V802-I844 HydrophobicContact CG1-CG2 3.75Å; V802-I844 HydrophobicContact CG2-CD1 3.54Å; V802-I844 HydrophobicContact CG2-CG1 4.44Å; A840-I844 HydrophobicContact CB-CD1 4.46Å; A840-I844 WeakPolarHBondContact O-CB 3.45Å; A840-I844 WeakPolarHBondContact O-CD1 3.33Å; A840-I844 WeakPolarHBondContact O-CG1 3.5Å; A840-I844 PolarHBondContact O-N 2.77Å; V841-I844 PolarHBondContact O-N 2.64Å; F842-I844 VanDerWaalsContact C-N 3.31Å; F842-I844 PolarHBondContact O-N 2.89Å; I844-H846 VanDerWaalsContact C-N 3.27Å; I844-H846 PolarHBondContact O-N 3.35Å; I844-E847 PolarHBondContact O-N 3.03Å; I844-L848 HydrophobicContact CG2-CD1 3.96Å; I844-L848 WeakPolarHBondContact O-CG 3.14Å; I844-L848 PolarHBondContact O-N 3.42Å; I844-L933 HydrophobicContact CG2-CD1 4.06Å; I844-L933 HydrophobicContact CG2-CD2 4.23Å
845	A	70.6	Confident	70.6	Confident	17 Å²	17	67.8 Å²	67.8	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-38.9	178.3	0	0	0	0	0	111.4	V841 F842 L848 N849	V841-A845 VanDerWaalsContact O-CB 3.28Å; V841-A845 WeakPolarHBondContact O-CB 3.4Å; V841-A845 PolarHBondContact O-N 3.26Å; F842-A845 PolarHBondContact O-N 2.93Å; A845-L848 PolarHBondContact O-N 2.95Å; A845-N849 WeakPolarHBondContact O-CB 3.2Å; A845-N849 PolarHBondContact O-N 3.23Å
846	H	70.3	Confident	70.2	Confident	109 Å²	109	67.1 Å²	67.1	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-47.5	175.7	-174.6	78.4	0	0	0	112.2	F842 I843 I844 L848 N849 K850	F842-H846 VanDerWaalsContact O-CB 3.32Å; F842-H846 WeakPolarHBondContact O-CB 3.47Å; F842-H846 PolarHBondContact O-N 3.36Å; I843-H846 PolarHBondContact O-N 3.39Å; I844-H846 VanDerWaalsContact C-N 3.27Å; I844-H846 PolarHBondContact O-N 3.35Å; H846-L848 VanDerWaalsContact C-N 3.33Å; H846-L848 PolarHBondContact O-N 3.46Å; H846-N849 PolarHBondContact O-N 3.13Å; H846-K850 WeakPolarHBondContact O-CB 3.41Å; H846-K850 PolarHBondContact O-N 3.14Å
847	E	70.8	Confident	69.8	Low	84 Å²	84	73.2 Å²	73.2	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-37.3	176	-87.2	-66.8	145.5	0	0	112.4	I843 I844 K850 K851	I843-E847 PolarHBondContact O-N 2.98Å; I844-E847 PolarHBondContact O-N 3.03Å; E847-K850 PolarHBondContact O-N 3.17Å; E847-K850 IonicContact OE1-NZ 3.76Å; E847-K851 WeakPolarHBondContact O-CG 3.4Å; E847-K851 PolarHBondContact O-N 3.03Å
848	L	69.4	Low	69.3	Low	40 Å²	40	76.5 Å²	76.5	21%	0.209	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-43.9	174	-76.1	167.7	0	0	0	112.2	I844 A845 H846 K850 K851 Q852 L933	I844-L848 HydrophobicContact CG2-CD1 3.96Å; I844-L848 WeakPolarHBondContact O-CG 3.14Å; I844-L848 PolarHBondContact O-N 3.42Å; A845-L848 PolarHBondContact O-N 2.95Å; H846-L848 VanDerWaalsContact C-N 3.33Å; H846-L848 PolarHBondContact O-N 3.46Å; L848-K850 VanDerWaalsContact C-N 3.3Å; L848-K850 PolarHBondContact O-N 3Å; L848-K851 PolarHBondContact O-N 2.97Å; L848-Q852 WeakPolarHBondContact O-CB 2.88Å; L848-Q852 PolarHBondContact O-N 3.18Å; L848-L933 HydrophobicContact CD1-CD1 3.26Å
849	N	65.4	Low	68.9	Low	61 Å²	61	69.1 Å²	69.1	33%	0.326	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-41.1	174.5	-97	-10.8	0	0	0	112	A845 H846 Q852 L853 Y930	A845-N849 WeakPolarHBondContact O-CB 3.2Å; A845-N849 PolarHBondContact O-N 3.23Å; H846-N849 PolarHBondContact O-N 3.13Å; N849-Q852 WeakPolarHBondContact O-CB 3.37Å; N849-Q852 PolarHBondContact O-N 3.17Å; N849-L853 WeakPolarHBondContact O-CB 3.3Å; N849-L853 PolarHBondContact O-N 3.38Å; N849-Y930 VanDerWaalsContact ND2-CE2 3.31Å; N849-Y930 WeakPolarHBondContact ND2-CE2 3.24Å; N849-Y930 PolarHBondContact ND2-OH 2.92Å; N849-Y930 WeakPolarHBondContact OD1-CD2 3.44Å; N849-Y930 WeakPolarHBondContact OD1-CE2 3.25Å
850	K	65.8	Low	68.6	Low	107 Å²	107	69.8 Å²	69.8	47%	0.465	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-44.2	175.7	-173	179.2	177.4	-177	0	111.6	H846 E847 L848 L853 I854	H846-K850 WeakPolarHBondContact O-CB 3.41Å; H846-K850 PolarHBondContact O-N 3.14Å; E847-K850 PolarHBondContact O-N 3.17Å; E847-K850 IonicContact OE1-NZ 3.76Å; L848-K850 VanDerWaalsContact C-N 3.3Å; L848-K850 PolarHBondContact O-N 3Å; K850-L853 PolarHBondContact O-N 2.87Å; K850-I854 HydrophobicContact CG-CD1 4.33Å; K850-I854 VanDerWaalsContact O-CG1 3.3Å; K850-I854 WeakPolarHBondContact O-CG1 3.33Å; K850-I854 PolarHBondContact O-N 3.37Å
851	K	69	Low	68.4	Low	125 Å²	125	72.2 Å²	72.2	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-40.1	173.9	-72.4	176.7	-177.1	179.5	0	112.1	E847 L848 I854 L855	E847-K851 WeakPolarHBondContact O-CG 3.4Å; E847-K851 PolarHBondContact O-N 3.03Å; L848-K851 PolarHBondContact O-N 2.97Å; K851-I854 PolarHBondContact O-N 3.22Å; K851-L855 WeakPolarHBondContact O-CB 3.5Å; K851-L855 PolarHBondContact O-N 3.5Å
852	Q	66.6	Low	67.9	Low	39 Å²	39	74 Å²	74	18%	0.182	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-45	175.7	-175.9	174.7	-2.7	0	0	111.7	L848 N849 I854 L855 S856 I926	L848-Q852 WeakPolarHBondContact O-CB 2.88Å; L848-Q852 PolarHBondContact O-N 3.18Å; N849-Q852 WeakPolarHBondContact O-CB 3.37Å; N849-Q852 PolarHBondContact O-N 3.17Å; Q852-I854 VanDerWaalsContact C-N 3.34Å; Q852-I854 PolarHBondContact O-N 2.64Å; Q852-L855 PolarHBondContact O-N 3.44Å; Q852-S856 PolarHBondContact O-N 3.31Å; Q852-S856 PolarHBondContact O-OG 3.07Å; Q852-I926 HydrophobicContact CB-CG2 3.76Å; Q852-I926 HydrophobicContact CG-CG2 3.75Å
853	L	61.6	Low	67.8	Low	108 Å²	108	69.7 Å²	69.7	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-65.4	-37.1	178.4	-164.9	79.1	0	0	0	112.2	N849 K850 S856 K857	N849-L853 WeakPolarHBondContact O-CB 3.3Å; N849-L853 PolarHBondContact O-N 3.38Å; K850-L853 PolarHBondContact O-N 2.87Å; L853-S856 PolarHBondContact O-OG 3.17Å; L853-K857 WeakPolarHBondContact O-CG 3.4Å; L853-K857 PolarHBondContact O-N 3.46Å
854	I	67	Low	67.6	Low	89 Å²	89	73.1 Å²	73.1	46%	0.456	38%	0.377	S	S	.	.	H	α-helix	trans	-67.4	-45.1	174.4	-67.6	165.2	0	0	0	110	K850 K851 Q852 K857 I858	K850-I854 HydrophobicContact CG-CD1 4.33Å; K850-I854 VanDerWaalsContact O-CG1 3.3Å; K850-I854 WeakPolarHBondContact O-CG1 3.33Å; K850-I854 PolarHBondContact O-N 3.37Å; K851-I854 PolarHBondContact O-N 3.22Å; Q852-I854 VanDerWaalsContact C-N 3.34Å; Q852-I854 PolarHBondContact O-N 2.64Å; I854-K857 PolarHBondContact O-N 3.06Å; I854-I858 HydrophobicContact CG2-CD1 3.82Å; I854-I858 HydrophobicContact CG2-CG1 4.47Å; I854-I858 WeakPolarHBondContact O-CG1 3.49Å; I854-I858 PolarHBondContact O-N 3.36Å
855	L	63.2	Low	67.6	Low	42 Å²	42	79 Å²	79	22%	0.22	40%	0.402	C	S	.	.	H	α-helix	trans	-64.5	-41.8	179.4	-168.7	73.2	0	0	0	111.6	K851 Q852 K857 I858 L859 I926	K851-L855 WeakPolarHBondContact O-CB 3.5Å; K851-L855 PolarHBondContact O-N 3.5Å; Q852-L855 PolarHBondContact O-N 3.44Å; L855-K857 VanDerWaalsContact C-N 3.32Å; L855-K857 PolarHBondContact O-N 2.71Å; L855-I858 PolarHBondContact O-N 3.24Å; L855-L859 WeakPolarHBondContact O-CB 3.47Å; L855-L859 PolarHBondContact O-N 3.45Å; L855-I926 HydrophobicContact CB-CD1 4.37Å; L855-I926 HydrophobicContact CD2-CD1 3.47Å; L855-I926 VanDerWaalsContact CD2-CD1 3.47Å
856	S	65.6	Low	67.3	Low	48 Å²	48	79.3 Å²	79.3	34%	0.336	40%	0.402	S	S	.	.	H	α-helix	trans	-63.1	-37.8	177.3	67.2	0	0	0	0	112.1	Q852 L853 L859 S860	Q852-S856 PolarHBondContact O-N 3.31Å; Q852-S856 PolarHBondContact O-OG 3.07Å; L853-S856 PolarHBondContact O-OG 3.17Å; S856-L859 PolarHBondContact O-N 3.01Å; S856-S860 PolarHBondContact O-N 3.04Å
857	K	67.1	Low	67.2	Low	135 Å²	135	79 Å²	79	59%	0.587	40%	0.404	S	S	*	.	H	α-helix	trans	-65.2	-41.2	171.8	-78.2	-178.9	176.9	-176.3	0	112.9	L853 I854 L855 L859 S860 S861	L853-K857 WeakPolarHBondContact O-CG 3.4Å; L853-K857 PolarHBondContact O-N 3.46Å; I854-K857 PolarHBondContact O-N 3.06Å; L855-K857 VanDerWaalsContact C-N 3.32Å; L855-K857 PolarHBondContact O-N 2.71Å; K857-L859 VanDerWaalsContact C-N 3.32Å; K857-S860 PolarHBondContact O-N 3.42Å; K857-S860 PolarHBondContact O-OG 2.9Å; K857-S861 WeakPolarHBondContact O-CB 3.49Å; K857-S861 PolarHBondContact O-N 3.41Å
858	I	69	Low	67	Low	86 Å²	86	83.7 Å²	83.7	44%	0.441	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-42.4	175.5	-69.4	167.5	0	0	0	109.9	I854 L855 S861 L862	I854-I858 HydrophobicContact CG2-CD1 3.82Å; I854-I858 HydrophobicContact CG2-CG1 4.47Å; I854-I858 WeakPolarHBondContact O-CG1 3.49Å; I854-I858 PolarHBondContact O-N 3.36Å; L855-I858 PolarHBondContact O-N 3.24Å; I858-S861 PolarHBondContact O-N 2.89Å; I858-L862 HydrophobicContact CG2-CD1 3.77Å; I858-L862 WeakPolarHBondContact O-CB 3.32Å; I858-L862 PolarHBondContact O-N 2.95Å
859	L	67.1	Low	66.8	Low	45 Å²	45	86 Å²	86	24%	0.236	43%	0.429	C	S	.	.	H	α-helix	trans	-62.4	-45.6	178	-154.2	99.2	0	0	0	111.4	L855 S856 K857 L862 S863 L918	L855-L859 WeakPolarHBondContact O-CB 3.47Å; L855-L859 PolarHBondContact O-N 3.45Å; S856-L859 PolarHBondContact O-N 3.01Å; K857-L859 VanDerWaalsContact C-N 3.32Å; L859-L862 PolarHBondContact O-N 3.45Å; L859-S863 WeakPolarHBondContact O-CB 3.44Å; L859-S863 PolarHBondContact O-N 3.27Å; L859-L918 HydrophobicContact CD1-CB 3.72Å; L859-L918 HydrophobicContact CD1-CD1 4.45Å; L859-L918 HydrophobicContact CD1-CD2 4.31Å; L859-L918 HydrophobicContact CD1-CG 4.39Å
860	S	67.6	Low	66.8	Low	72 Å²	72	85.5 Å²	85.5	50%	0.503	43%	0.427	S	S	.	.	H	α-helix	trans	-64.4	-42.3	177.3	87.9	0	0	0	0	111.2	S856 K857 S863 E864	S856-S860 PolarHBondContact O-N 3.04Å; K857-S860 PolarHBondContact O-N 3.42Å; K857-S860 PolarHBondContact O-OG 2.9Å; S860-S863 WeakPolarHBondContact O-CB 3.47Å; S860-S863 PolarHBondContact O-N 3.36Å; S860-E864 WeakPolarHBondContact O-CB 3.25Å; S860-E864 PolarHBondContact O-N 2.87Å
861	S	71.1	Confident	66.6	Low	50 Å²	50	81.9 Å²	81.9	35%	0.35	42%	0.42	S	S	.	.	H	α-helix	trans	-66	-37.9	177.3	-176.6	0	0	0	0	112.7	K857 I858 K865	K857-S861 WeakPolarHBondContact O-CB 3.49Å; K857-S861 PolarHBondContact O-N 3.41Å; I858-S861 PolarHBondContact O-N 2.89Å; S861-K865 WeakPolarHBondContact O-CG 3.32Å; S861-K865 PolarHBondContact O-N 2.83Å
862	L	65.6	Low	66.4	Low	71 Å²	71	81.2 Å²	81.2	37%	0.372	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-47.9	173.1	-89	158.9	0	0	0	110.7	I858 L859 E864 K865 L866 L918	I858-L862 HydrophobicContact CG2-CD1 3.77Å; I858-L862 WeakPolarHBondContact O-CB 3.32Å; I858-L862 PolarHBondContact O-N 2.95Å; L859-L862 PolarHBondContact O-N 3.45Å; L862-E864 VanDerWaalsContact C-N 3.32Å; L862-E864 PolarHBondContact O-N 2.84Å; L862-K865 PolarHBondContact O-N 2.73Å; L862-L866 WeakPolarHBondContact O-CB 3.47Å; L862-L866 PolarHBondContact O-N 2.82Å; L862-L918 HydrophobicContact CD1-CD1 4.23Å
863	S	66.3	Low	66.1	Low	53 Å²	53	80.8 Å²	80.8	37%	0.371	42%	0.418	S	S	.	.	H	α-helix	trans	-54.9	-48.6	175.8	-167.6	0	0	0	0	111.2	L859 S860 K865 L866 D867	L859-S863 WeakPolarHBondContact O-CB 3.44Å; L859-S863 PolarHBondContact O-N 3.27Å; S860-S863 WeakPolarHBondContact O-CB 3.47Å; S860-S863 PolarHBondContact O-N 3.36Å; S863-K865 PolarHBondContact O-N 3.43Å; S863-L866 WeakPolarHBondContact O-CA 3.42Å; S863-L866 VanDerWaalsContact O-CB 3.23Å; S863-L866 WeakPolarHBondContact O-CB 3.24Å; S863-L866 PolarHBondContact O-N 2.91Å; S863-L866 VanDerWaalsContact O-N 3.09Å; S863-D867 VanDerWaalsContact O-CG 3.31Å; S863-D867 PolarHBondContact O-N 2.8Å
864	E	69	Low	66	Low	139 Å²	139	79 Å²	79	65%	0.65	41%	0.412	S	S	*	.	H	α-helix	trans	-64.9	-40.4	-178.1	-163	177.9	-147.4	0	0	112.5	S860 L862 L866 R868	S860-E864 WeakPolarHBondContact O-CB 3.25Å; S860-E864 PolarHBondContact O-N 2.87Å; L862-E864 VanDerWaalsContact C-N 3.32Å; L862-E864 PolarHBondContact O-N 2.84Å; E864-L866 VanDerWaalsContact C-N 3.32Å; E864-R868 WeakPolarHBondContact O-CB 3.39Å; E864-R868 PolarHBondContact O-N 3.02Å; E864-R868 VanDerWaalsContact O-N 3.1Å
865	K	71.3	Confident	65.7	Low	138 Å²	138	81.1 Å²	81.1	60%	0.6	42%	0.42	S	S	*	.	H	α-helix	trans	-64.5	-38	171.7	-79	-178.9	179.5	179.2	0	112.1	S861 L862 S863 R868 I869	S861-K865 WeakPolarHBondContact O-CG 3.32Å; S861-K865 PolarHBondContact O-N 2.83Å; L862-K865 PolarHBondContact O-N 2.73Å; S863-K865 PolarHBondContact O-N 3.43Å; K865-R868 PolarHBondContact O-N 3.02Å; K865-I869 WeakPolarHBondContact O-CG1 3.26Å; K865-I869 PolarHBondContact O-N 2.85Å; K865-I869 VanDerWaalsContact O-N 3.07Å
866	L	65.7	Low	65.4	Low	25 Å²	25	81.4 Å²	81.4	13%	0.131	43%	0.425	C	S	.	.	H	α-helix	trans	-65.2	-46	178.6	-136.5	71.7	0	0	0	111.3	L862 S863 E864 R868 I869 N870 N911 I915	L862-L866 WeakPolarHBondContact O-CB 3.47Å; L862-L866 PolarHBondContact O-N 2.82Å; S863-L866 WeakPolarHBondContact O-CA 3.42Å; S863-L866 VanDerWaalsContact O-CB 3.23Å; S863-L866 WeakPolarHBondContact O-CB 3.24Å; S863-L866 PolarHBondContact O-N 2.91Å; S863-L866 VanDerWaalsContact O-N 3.09Å; E864-L866 VanDerWaalsContact C-N 3.32Å; L866-R868 PolarHBondContact O-N 3.45Å; L866-I869 PolarHBondContact O-N 2.82Å; L866-N870 WeakPolarHBondContact O-CB 3.49Å; L866-N870 PolarHBondContact O-N 2.93Å; L866-N911 WeakPolarHBondContact CD1-OD1 3.48Å; L866-N911 HydrophobicContact CD2-CB 4.27Å; L866-N911 WeakPolarHBondContact CD2-ND2 3.44Å; L866-N911 WeakPolarHBondContact CD2-OD1 3.41Å; L866-N911 WeakPolarHBondContact CG-ND2 3.37Å; L866-N911 WeakPolarHBondContact CG-OD1 3.43Å; L866-I915 HydrophobicContact CD2-CD1 3.71Å; L866-I915 HydrophobicContact CD2-CG1 3.97Å
867	D	66.2	Low	65	Low	101 Å²	101	82.5 Å²	82.5	54%	0.54	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-37.1	177.1	-69.9	-31.1	0	0	0	110.7	S863 N870 G871	S863-D867 VanDerWaalsContact O-CG 3.31Å; S863-D867 PolarHBondContact O-N 2.8Å; D867-N870 PolarHBondContact O-N 2.9Å; D867-G871 PolarHBondContact O-N 3.31Å
868	R	67.1	Low	64.5	Low	183 Å²	183	79 Å²	79	69%	0.691	42%	0.417	S	S	*	.	H	α-helix	trans	-65.3	-42.6	174.4	-166.2	175.9	175.7	-175.5	-1.2	113.1	E864 K865 L866 N870 G871 Q872	E864-R868 WeakPolarHBondContact O-CB 3.39Å; E864-R868 PolarHBondContact O-N 3.02Å; E864-R868 VanDerWaalsContact O-N 3.1Å; K865-R868 PolarHBondContact O-N 3.02Å; L866-R868 PolarHBondContact O-N 3.45Å; R868-N870 VanDerWaalsContact C-N 3.34Å; R868-G871 PolarHBondContact O-N 2.85Å; R868-Q872 WeakPolarHBondContact O-CG 3.25Å; R868-Q872 PolarHBondContact O-N 3.21Å; R868-Q872 VanDerWaalsContact O-N 3.08Å
869	I	66.1	Low	64	Low	88 Å²	88	81.7 Å²	81.7	45%	0.451	43%	0.425	S	S	.	.	H	α-helix	trans	-63.9	-43	174.9	-68.5	167.4	0	0	0	110.2	K865 L866 G871 Q872 L873	K865-I869 WeakPolarHBondContact O-CG1 3.26Å; K865-I869 PolarHBondContact O-N 2.85Å; K865-I869 VanDerWaalsContact O-N 3.07Å; L866-I869 PolarHBondContact O-N 2.82Å; I869-G871 VanDerWaalsContact C-N 3.31Å; I869-G871 PolarHBondContact O-N 2.63Å; I869-Q872 PolarHBondContact O-N 3.33Å; I869-L873 HydrophobicContact CG2-CD1 4.01Å; I869-L873 PolarHBondContact O-N 3.5Å; I869-L873 VanDerWaalsContact O-N 3.08Å
870	N	64.8	Low	63.5	Low	51 Å²	51	80.6 Å²	80.6	27%	0.273	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-42.2	178.5	-155.6	20.4	0	0	0	110.7	L866 D867 R868 Q872 L873 T874 W904	L866-N870 WeakPolarHBondContact O-CB 3.49Å; L866-N870 PolarHBondContact O-N 2.93Å; D867-N870 PolarHBondContact O-N 2.9Å; R868-N870 VanDerWaalsContact C-N 3.34Å; N870-Q872 PolarHBondContact O-N 3.3Å; N870-L873 PolarHBondContact O-N 3.37Å; N870-T874 PolarHBondContact O-N 3.33Å; N870-T874 PolarHBondContact O-OG1 2.85Å; N870-W904 PolarHBondContact OD1-NE1 3.26Å
871	G	61.6	Low	63	Low	32 Å²	32	80.3 Å²	80.3	33%	0.33	42%	0.418	S	S	.	.	H	α-helix	trans	-55.5	-49.6	172.8	0	0	0	0	0	113.1	D867 R868 I869 L873 T874 E875	D867-G871 PolarHBondContact O-N 3.31Å; R868-G871 PolarHBondContact O-N 2.85Å; I869-G871 VanDerWaalsContact C-N 3.31Å; I869-G871 PolarHBondContact O-N 2.63Å; G871-L873 VanDerWaalsContact C-N 3.35Å; G871-L873 PolarHBondContact O-N 2.91Å; G871-T874 WeakPolarHBondContact CA-OG1 3.4Å; G871-T874 PolarHBondContact O-N 3.42Å; G871-T874 PolarHBondContact O-OG1 3.22Å; G871-E875 PolarHBondContact O-N 2.95Å
872	Q	65	Low	62.3	Low	110 Å²	110	85 Å²	85	51%	0.514	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-37.2	179.2	-72.7	-177.6	-33.7	0	0	113.3	R868 I869 N870 S876	R868-Q872 WeakPolarHBondContact O-CG 3.25Å; R868-Q872 PolarHBondContact O-N 3.21Å; R868-Q872 VanDerWaalsContact O-N 3.08Å; I869-Q872 PolarHBondContact O-N 3.33Å; N870-Q872 PolarHBondContact O-N 3.3Å; Q872-S876 PolarHBondContact O-N 3.41Å; Q872-S876 PolarHBondContact O-OG 3.23Å
873	L	60.6	Low	61.8	Low	30 Å²	30	84.7 Å²	84.7	16%	0.157	43%	0.432	C	S	.	.	H	α-helix	trans	-67.8	-40.2	175.6	-78.6	160.9	0	0	0	111.7	I869 N870 G871 F877 I907	I869-L873 HydrophobicContact CG2-CD1 4.01Å; I869-L873 PolarHBondContact O-N 3.5Å; I869-L873 VanDerWaalsContact O-N 3.08Å; N870-L873 PolarHBondContact O-N 3.37Å; G871-L873 VanDerWaalsContact C-N 3.35Å; G871-L873 PolarHBondContact O-N 2.91Å; L873-F877 PolarHBondContact O-N 3.25Å; L873-I907 HydrophobicContact CD1-CD1 3.77Å; L873-I907 HydrophobicContact CD1-CG2 4.15Å; L873-I907 HydrophobicContact CD2-CD1 4.36Å
874	T	60.1	Low	61	Low	71 Å²	71	85.1 Å²	85.1	44%	0.436	43%	0.43	S	S	.	.	H	α-helix	trans	-69.8	-34.1	176.3	43.1	0	0	0	0	113.2	N870 G871 S876 F877 S878	N870-T874 PolarHBondContact O-N 3.33Å; N870-T874 PolarHBondContact O-OG1 2.85Å; G871-T874 WeakPolarHBondContact CA-OG1 3.4Å; G871-T874 PolarHBondContact O-N 3.42Å; G871-T874 PolarHBondContact O-OG1 3.22Å; T874-S876 VanDerWaalsContact C-N 3.32Å; T874-S876 PolarHBondContact O-N 2.97Å; T874-F877 WeakPolarHBondContact O-CA 3.33Å; T874-F877 WeakPolarHBondContact O-CB 3.12Å; T874-F877 PolarHBondContact O-N 2.86Å; T874-F877 VanDerWaalsContact O-N 3.08Å; T874-S878 PolarHBondContact O-N 2.58Å
875	E	59.2	Low	60.2	Low	134 Å²	134	82.8 Å²	82.8	63%	0.626	43%	0.429	S	S	*	.	H	α-helix	trans	-63.1	-39.4	176.5	-135	176.2	-170	0	0	111.7	G871 F877 S878 F879	G871-E875 PolarHBondContact O-N 2.95Å; E875-F877 PolarHBondContact O-N 3.48Å; E875-S878 PolarHBondContact O-N 2.72Å; E875-S878 PolarHBondContact O-OG 2.89Å; E875-F879 WeakPolarHBondContact O-CB 3.32Å; E875-F879 PolarHBondContact O-N 2.85Å
876	S	57.1	Low	59.4	Low	47 Å²	47	83.2 Å²	83.2	33%	0.329	43%	0.431	S	S	.	.	H	α-helix	trans	-62.3	-34.1	174.1	-53.3	0	0	0	0	111.7	Q872 T874 L880	Q872-S876 PolarHBondContact O-N 3.41Å; Q872-S876 PolarHBondContact O-OG 3.23Å; T874-S876 VanDerWaalsContact C-N 3.32Å; T874-S876 PolarHBondContact O-N 2.97Å; S876-L880 WeakPolarHBondContact O-CG 3.46Å; S876-L880 PolarHBondContact O-N 3.46Å; S876-L880 VanDerWaalsContact O-N 3.14Å
877	F	57.2	Low	58.8	Low	71 Å²	71	86.9 Å²	86.9	31%	0.311	46%	0.459	S	S	.	.	H	α-helix	trans	-75.1	-41.7	179.4	-137.5	-84.7	0	0	0	112.2	L873 T874 E875 F879 L880 S881 M897	L873-F877 PolarHBondContact O-N 3.25Å; T874-F877 WeakPolarHBondContact O-CA 3.33Å; T874-F877 WeakPolarHBondContact O-CB 3.12Å; T874-F877 PolarHBondContact O-N 2.86Å; T874-F877 VanDerWaalsContact O-N 3.08Å; E875-F877 PolarHBondContact O-N 3.48Å; F877-F879 VanDerWaalsContact C-N 3.3Å; F877-F879 PolarHBondContact O-N 3.46Å; F877-L880 PolarHBondContact O-N 3.15Å; F877-S881 WeakPolarHBondContact O-CB 3.02Å; F877-S881 PolarHBondContact O-N 2.82Å; F877-M897 HydrophobicContact CD1-CE 4.05Å; F877-M897 HydrophobicContact CE1-CE 3.78Å; F877-M897 HydrophobicContact CZ-CE 4.46Å
878	S	57.2	Low	58.2	Low	63 Å²	63	88.3 Å²	88.3	44%	0.441	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-37.5	175.4	64.5	0	0	0	0	111.4	T874 E875 S881 H882	T874-S878 PolarHBondContact O-N 2.58Å; E875-S878 PolarHBondContact O-N 2.72Å; E875-S878 PolarHBondContact O-OG 2.89Å; S878-S881 PolarHBondContact O-N 2.64Å; S878-H882 PolarHBondContact O-N 3.1Å; S878-H882 VanDerWaalsContact O-N 3.17Å
879	F	57.8	Low	57.6	Low	141 Å²	141	87 Å²	87	62%	0.618	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-47	174.1	-171.6	-96.4	0	0	0	112.5	E875 F877 S881 H882 L883	E875-F879 WeakPolarHBondContact O-CB 3.32Å; E875-F879 PolarHBondContact O-N 2.85Å; F877-F879 VanDerWaalsContact C-N 3.3Å; F877-F879 PolarHBondContact O-N 3.46Å; F879-S881 VanDerWaalsContact C-N 3.32Å; F879-S881 PolarHBondContact O-N 3.22Å; F879-H882 PolarHBondContact O-N 3.5Å; F879-L883 HydrophobicContact CD1-CD1 3.93Å; F879-L883 HydrophobicContact CE1-CD1 3.59Å; F879-L883 HydrophobicContact CZ-CD1 4.37Å; F879-L883 PolarHBondContact O-N 3.06Å
880	L	56.5	Low	57	Low	23 Å²	23	86.3 Å²	86.3	12%	0.12	47%	0.47	C	S	.	.	H	α-helix	trans	-64.6	-35.6	175.8	-78.3	165.9	0	0	0	112.3	S876 F877 H882 L883 L893 M897 Y900	S876-L880 WeakPolarHBondContact O-CG 3.46Å; S876-L880 PolarHBondContact O-N 3.46Å; S876-L880 VanDerWaalsContact O-N 3.14Å; F877-L880 PolarHBondContact O-N 3.15Å; L880-H882 VanDerWaalsContact C-N 3.27Å; L880-H882 PolarHBondContact O-N 2.63Å; L880-L883 PolarHBondContact O-N 2.86Å; L880-L893 HydrophobicContact CD2-CD1 3.85Å; L880-L893 HydrophobicContact CD2-CG 4.21Å; L880-M897 HydrophobicContact CB-CE 4.17Å; L880-M897 HydrophobicContact CB-CG 4.33Å; L880-Y900 HydrophobicContact CD1-CD2 3.77Å; L880-Y900 HydrophobicContact CD1-CE2 3.92Å
881	S	57	Low	56.8	Low	66 Å²	66	90.4 Å²	90.4	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-33.5	175.9	-171.7	0	0	0	0	112.3	F877 S878 F879	F877-S881 WeakPolarHBondContact O-CB 3.02Å; F877-S881 PolarHBondContact O-N 2.82Å; S878-S881 PolarHBondContact O-N 2.64Å; F879-S881 VanDerWaalsContact C-N 3.32Å; F879-S881 PolarHBondContact O-N 3.22Å
882	H	56.7	Low	56.6	Low	149 Å²	149	95.4 Å²	95.4	69%	0.69	51%	0.506	S	S	*	.	H	α-helix	trans	-70.1	-31.2	175.2	-94.8	-67.5	0	0	0	113.1	S878 F879 L880 L884 S885	S878-H882 PolarHBondContact O-N 3.1Å; S878-H882 VanDerWaalsContact O-N 3.17Å; F879-H882 PolarHBondContact O-N 3.5Å; L880-H882 VanDerWaalsContact C-N 3.27Å; L880-H882 PolarHBondContact O-N 2.63Å; H882-L884 VanDerWaalsContact C-N 3.29Å; H882-L884 PolarHBondContact O-N 2.9Å; H882-S885 PolarHBondContact O-N 2.89Å; H882-S885 PolarHBondContact O-OG 2.79Å
883	L	55	Low	56.3	Low	63 Å²	63	91.7 Å²	91.7	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-72.8	-16.3	179.5	-82.8	157	0	0	0	114.2	F879 L880 S885 F886 L893	F879-L883 HydrophobicContact CD1-CD1 3.93Å; F879-L883 HydrophobicContact CE1-CD1 3.59Å; F879-L883 HydrophobicContact CZ-CD1 4.37Å; F879-L883 PolarHBondContact O-N 3.06Å; L880-L883 PolarHBondContact O-N 2.86Å; L883-S885 PolarHBondContact O-N 3.13Å; L883-F886 HydrophobicContact CD2-CD2 4.22Å; L883-F886 PolarHBondContact O-N 3.05Å; L883-L893 HydrophobicContact CB-CD1 4.12Å; L883-L893 HydrophobicContact CB-CD2 4.15Å
884	L	49.8	Very low	56.4	Low	63 Å²	63	96.3 Å²	96.3	33%	0.33	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-11.5	172	-74.3	166.3	0	0	0	113.4	H882 F886 L893 F894 M897	H882-L884 VanDerWaalsContact C-N 3.29Å; H882-L884 PolarHBondContact O-N 2.9Å; L884-F886 VanDerWaalsContact C-N 3.25Å; L884-F886 PolarHBondContact O-N 3.06Å; L884-L893 HydrophobicContact CD2-CD2 3.64Å; L884-L893 HydrophobicContact CG-CD2 3.73Å; L884-F894 HydrophobicContact CD2-CD2 4.36Å; L884-F894 HydrophobicContact CD2-CE2 4Å; L884-M897 HydrophobicContact CD1-CE 4.19Å; L884-M897 HydrophobicContact CD1-SD 3.98Å
885	S	52.9	Low	56.6	Low	90 Å²	90	99.1 Å²	99.1	63%	0.629	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.4	172.7	60.1	0	0	0	0	114.2	H882 L883	H882-S885 PolarHBondContact O-N 2.89Å; H882-S885 PolarHBondContact O-OG 2.79Å; L883-S885 PolarHBondContact O-N 3.13Å
886	F	53.7	Low	56.7	Low	146 Å²	146	94.4 Å²	94.4	64%	0.64	50%	0.496	S	S	*	.	S	Bend	trans	-102.3	105.6	-179.9	-69.3	-81.7	0	0	0	111.9	L883 L884 V888	L883-F886 HydrophobicContact CD2-CD2 4.22Å; L883-F886 PolarHBondContact O-N 3.05Å; L884-F886 VanDerWaalsContact C-N 3.25Å; L884-F886 PolarHBondContact O-N 3.06Å; F886-V888 VanDerWaalsContact C-N 3.3Å; F886-V888 PolarHBondContact O-N 3.27Å
887	S	53.6	Low	57	Low	103 Å²	103	93.4 Å²	93.4	72%	0.72	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	12.7	-160.9	58.7	0	0	0	0	118.3
888	V	54.3	Low	57.5	Low	130 Å²	130	95.1 Å²	95.1	79%	0.788	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-10.2	-170.3	-171.6	0	0	0	0	115.3	F886	F886-V888 VanDerWaalsContact C-N 3.3Å; F886-V888 PolarHBondContact O-N 3.27Å
889	Q	52.7	Low	58.1	Low	155 Å²	155	96.8 Å²	96.8	72%	0.724	50%	0.502	S	S	*	.			trans	-125.9	37	178.3	-77.2	-170.5	-11.3	0	0	114.7	H891	Q889-H891 VanDerWaalsContact C-N 3.3Å; Q889-H891 PolarHBondContact O-N 3.23Å
890	N	54.4	Low	58.4	Low	74 Å²	74	94.4 Å²	94.4	40%	0.396	49%	0.49	S	S	.	.	H	α-helix	trans	-59.5	-32.4	-173.9	-80.5	-17.8	0	0	0	114.9	F894	N890-F894 WeakPolarHBondContact O-CB 3.31Å; N890-F894 WeakPolarHBondContact O-CD2 3.23Å; N890-F894 PolarHBondContact O-N 3.41Å
891	H	60.7	Low	59	Low	137 Å²	137	95.3 Å²	95.3	63%	0.634	50%	0.498	S	S	*	.	H	α-helix	trans	-74.3	-36.1	-172	-157	61.7	0	0	0	113.8	Q889 K895	Q889-H891 VanDerWaalsContact C-N 3.3Å; Q889-H891 PolarHBondContact O-N 3.23Å; H891-K895 WeakPolarHBondContact NE2-CE 3.41Å; H891-K895 PolarHBondContact O-N 2.95Å
892	L	57.8	Low	59.5	Low	138 Å²	138	100.1 Å²	100.1	72%	0.723	51%	0.506	S	S	*	.	H	α-helix	trans	-74.2	-37.3	178.3	-122.3	137.2	0	0	0	111	K895 S896	L892-K895 PolarHBondContact O-N 3.49Å; L892-S896 PolarHBondContact O-N 3.16Å
893	L	58.4	Low	59.9	Low	31 Å²	31	97.1 Å²	97.1	16%	0.162	50%	0.495	C	S	.	.	H	α-helix	trans	-68.2	-41.2	177.3	-149.3	93.8	0	0	0	112.4	L880 L883 L884 K895 S896 M897	L880-L893 HydrophobicContact CD2-CD1 3.85Å; L880-L893 HydrophobicContact CD2-CG 4.21Å; L883-L893 HydrophobicContact CB-CD1 4.12Å; L883-L893 HydrophobicContact CB-CD2 4.15Å; L884-L893 HydrophobicContact CD2-CD2 3.64Å; L884-L893 HydrophobicContact CG-CD2 3.73Å; L893-K895 VanDerWaalsContact C-N 3.34Å; L893-K895 PolarHBondContact O-N 3.43Å; L893-S896 PolarHBondContact O-N 2.85Å; L893-S896 PolarHBondContact O-OG 2.74Å; L893-M897 PolarHBondContact O-N 3.08Å
894	F	62.1	Low	60.4	Low	127 Å²	127	98.8 Å²	98.8	56%	0.557	50%	0.497	S	S	*	.	H	α-helix	trans	-64.1	-39.1	174.6	-102	-84	0	0	0	112.2	L884 N890 H898	L884-F894 HydrophobicContact CD2-CD2 4.36Å; L884-F894 HydrophobicContact CD2-CE2 4Å; N890-F894 WeakPolarHBondContact O-CB 3.31Å; N890-F894 WeakPolarHBondContact O-CD2 3.23Å; N890-F894 PolarHBondContact O-N 3.41Å; F894-H898 WeakPolarHBondContact O-CB 3.49Å; F894-H898 PolarHBondContact O-N 3.47Å
895	K	63.8	Low	61.3	Low	130 Å²	130	100 Å²	100	57%	0.565	50%	0.504	S	S	*	.	H	α-helix	trans	-63.9	-42.6	174.5	-81.1	-177.4	178.6	176.5	0	111.6	H891 L892 L893 H898 V899	H891-K895 WeakPolarHBondContact NE2-CE 3.41Å; H891-K895 PolarHBondContact O-N 2.95Å; L892-K895 PolarHBondContact O-N 3.49Å; L893-K895 VanDerWaalsContact C-N 3.34Å; L893-K895 PolarHBondContact O-N 3.43Å; K895-H898 PolarHBondContact O-N 2.86Å; K895-V899 WeakPolarHBondContact O-CG2 3.35Å; K895-V899 PolarHBondContact O-N 3.02Å
896	S	63	Low	62.1	Low	36 Å²	36	99.8 Å²	99.8	25%	0.252	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-46.8	177	69.5	0	0	0	0	111.2	L892 L893 H898 V899 Y900	L892-S896 PolarHBondContact O-N 3.16Å; L893-S896 PolarHBondContact O-N 2.85Å; L893-S896 PolarHBondContact O-OG 2.74Å; S896-H898 VanDerWaalsContact C-N 3.28Å; S896-H898 PolarHBondContact O-N 2.82Å; S896-V899 PolarHBondContact O-N 3.41Å; S896-V899 VanDerWaalsContact O-N 3.15Å; S896-Y900 WeakPolarHBondContact O-CD2 3.47Å; S896-Y900 PolarHBondContact O-N 2.87Å
897	M	63.3	Low	62.6	Low	25 Å²	25	95.3 Å²	95.3	12%	0.123	48%	0.48	C	S	.	.	H	α-helix	trans	-56.8	-40.9	174.8	-79	-167.9	128.4	0	0	112.5	F877 L880 L884 L893 Y900 S901	F877-M897 HydrophobicContact CD1-CE 4.05Å; F877-M897 HydrophobicContact CE1-CE 3.78Å; F877-M897 HydrophobicContact CZ-CE 4.46Å; L880-M897 HydrophobicContact CB-CE 4.17Å; L880-M897 HydrophobicContact CB-CG 4.33Å; L884-M897 HydrophobicContact CD1-CE 4.19Å; L884-M897 HydrophobicContact CD1-SD 3.98Å; L893-M897 PolarHBondContact O-N 3.08Å; M897-Y900 PolarHBondContact O-N 3.16Å; M897-S901 VanDerWaalsContact O-CB 3.29Å; M897-S901 WeakPolarHBondContact O-CB 3.4Å; M897-S901 PolarHBondContact O-N 2.84Å
898	H	67.5	Low	63.1	Low	108 Å²	108	92.4 Å²	92.4	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-67.8	-38.7	178.9	-160.8	5.3	0	0	0	112.3	F894 K895 S896 R902	F894-H898 WeakPolarHBondContact O-CB 3.49Å; F894-H898 PolarHBondContact O-N 3.47Å; K895-H898 PolarHBondContact O-N 2.86Å; S896-H898 VanDerWaalsContact C-N 3.28Å; S896-H898 PolarHBondContact O-N 2.82Å; H898-R902 PolarHBondContact O-N 3.03Å
899	V	69.2	Low	63.9	Low	97 Å²	97	93.2 Å²	93.2	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-64.3	-46.8	173.4	172.1	0	0	0	0	110.8	K895 S896 S901 R902 L903	K895-V899 WeakPolarHBondContact O-CG2 3.35Å; K895-V899 PolarHBondContact O-N 3.02Å; S896-V899 PolarHBondContact O-N 3.41Å; S896-V899 VanDerWaalsContact O-N 3.15Å; V899-S901 PolarHBondContact O-N 2.79Å; V899-R902 PolarHBondContact O-N 3.26Å; V899-L903 WeakPolarHBondContact O-CB 3.36Å; V899-L903 PolarHBondContact O-N 2.68Å
900	Y	63.6	Low	64.6	Low	92 Å²	92	91.4 Å²	91.4	36%	0.361	45%	0.445	S	S	.	.	H	α-helix	trans	-62.3	-41.6	177.2	-85.7	-74.7	0	0	0	112.4	L880 S896 M897 L903 W904	L880-Y900 HydrophobicContact CD1-CD2 3.77Å; L880-Y900 HydrophobicContact CD1-CE2 3.92Å; S896-Y900 WeakPolarHBondContact O-CD2 3.47Å; S896-Y900 PolarHBondContact O-N 2.87Å; M897-Y900 PolarHBondContact O-N 3.16Å; Y900-L903 PolarHBondContact O-N 3.47Å; Y900-W904 WeakPolarHBondContact O-CB 3.47Å; Y900-W904 PolarHBondContact O-N 3.33Å
901	S	69.3	Low	65.2	Low	41 Å²	41	89.2 Å²	89.2	29%	0.287	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-42.9	176.3	171.7	0	0	0	0	111.9	M897 V899 W904 N905	M897-S901 VanDerWaalsContact O-CB 3.29Å; M897-S901 WeakPolarHBondContact O-CB 3.4Å; M897-S901 PolarHBondContact O-N 2.84Å; V899-S901 PolarHBondContact O-N 2.79Å; S901-W904 PolarHBondContact O-N 3.39Å; S901-N905 PolarHBondContact O-N 3.09Å
902	R	67.9	Low	65.4	Low	167 Å²	167	85.9 Å²	85.9	63%	0.63	43%	0.425	S	S	*	.	H	α-helix	trans	-63	-43.8	173.6	-78.3	-174	179.9	-173.5	1.4	111.5	H898 V899 W904 N905 V906	H898-R902 PolarHBondContact O-N 3.03Å; V899-R902 PolarHBondContact O-N 3.26Å; R902-W904 VanDerWaalsContact C-N 3.35Å; R902-N905 PolarHBondContact O-N 2.9Å; R902-V906 WeakPolarHBondContact O-CG2 3.34Å; R902-V906 PolarHBondContact O-N 2.86Å
903	L	64.6	Low	65.9	Low	86 Å²	86	84 Å²	84	45%	0.45	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-44.8	177.7	-155.6	85.2	0	0	0	111	V899 Y900 V906 I907	V899-L903 WeakPolarHBondContact O-CB 3.36Å; V899-L903 PolarHBondContact O-N 2.68Å; Y900-L903 PolarHBondContact O-N 3.47Å; L903-V906 PolarHBondContact O-N 3.01Å; L903-I907 HydrophobicContact CD2-CD1 4Å; L903-I907 HydrophobicContact CG-CD1 3.96Å; L903-I907 WeakPolarHBondContact O-CB 3.09Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.34Å; L903-I907 PolarHBondContact O-N 2.98Å
904	W	66.1	Low	66.2	Low	98 Å²	98	86.2 Å²	86.2	37%	0.371	42%	0.424	S	S	.	.	H	α-helix	trans	-61.3	-45.6	177.1	-177.5	82.5	0	0	0	112.2	N870 Y900 S901 R902 V906 I907 S908	N870-W904 PolarHBondContact OD1-NE1 3.26Å; Y900-W904 WeakPolarHBondContact O-CB 3.47Å; Y900-W904 PolarHBondContact O-N 3.33Å; S901-W904 PolarHBondContact O-N 3.39Å; R902-W904 VanDerWaalsContact C-N 3.35Å; W904-V906 VanDerWaalsContact C-N 3.3Å; W904-V906 PolarHBondContact O-N 3.07Å; W904-I907 PolarHBondContact O-N 3.19Å; W904-S908 WeakPolarHBondContact O-CB 3.47Å; W904-S908 PolarHBondContact O-N 3.08Å
905	N	67.6	Low	66.2	Low	89 Å²	89	83.3 Å²	83.3	48%	0.476	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-38.6	176.2	-81.3	-29.9	0	0	0	112.3	S901 R902 K909	S901-N905 PolarHBondContact O-N 3.09Å; R902-N905 PolarHBondContact O-N 2.9Å; N905-K909 WeakPolarHBondContact O-CB 3.3Å; N905-K909 PolarHBondContact O-N 3.4Å; N905-K909 VanDerWaalsContact O-N 3.09Å
906	V	69.8	Low	66.4	Low	85 Å²	85	81.1 Å²	81.1	52%	0.515	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-47	176	172.8	0	0	0	0	110.9	R902 L903 W904 K909 Q910	R902-V906 WeakPolarHBondContact O-CG2 3.34Å; R902-V906 PolarHBondContact O-N 2.86Å; L903-V906 PolarHBondContact O-N 3.01Å; W904-V906 VanDerWaalsContact C-N 3.3Å; W904-V906 PolarHBondContact O-N 3.07Å; V906-K909 PolarHBondContact O-N 3.39Å; V906-Q910 WeakPolarHBondContact O-CG 3.31Å; V906-Q910 PolarHBondContact O-N 3.46Å
907	I	64.1	Low	66.4	Low	52 Å²	52	86.1 Å²	86.1	27%	0.267	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-47.2	-179.7	-68	168.6	0	0	0	110.7	L873 L903 W904 K909 Q910 N911	L873-I907 HydrophobicContact CD1-CD1 3.77Å; L873-I907 HydrophobicContact CD1-CG2 4.15Å; L873-I907 HydrophobicContact CD2-CD1 4.36Å; L903-I907 HydrophobicContact CD2-CD1 4Å; L903-I907 HydrophobicContact CG-CD1 3.96Å; L903-I907 WeakPolarHBondContact O-CB 3.09Å; L903-I907 VanDerWaalsContact O-CG1 3.27Å; L903-I907 WeakPolarHBondContact O-CG1 3.34Å; L903-I907 PolarHBondContact O-N 2.98Å; W904-I907 PolarHBondContact O-N 3.19Å; I907-K909 VanDerWaalsContact C-N 3.33Å; I907-K909 PolarHBondContact O-N 3.14Å; I907-Q910 CarbonylContact O-C 3.27Å; I907-Q910 PolarHBondContact O-N 2.88Å; I907-N911 WeakPolarHBondContact O-CB 3.4Å; I907-N911 PolarHBondContact O-N 3.41Å
908	S	65.6	Low	66.3	Low	43 Å²	43	86.8 Å²	86.8	30%	0.301	43%	0.429	S	S	.	.	H	α-helix	trans	-59.4	-42.8	178.2	-177.5	0	0	0	0	111.7	W904 N911 S912	W904-S908 WeakPolarHBondContact O-CB 3.47Å; W904-S908 PolarHBondContact O-N 3.08Å; S908-N911 VanDerWaalsContact O-CB 3.3Å; S908-N911 WeakPolarHBondContact O-CB 3.39Å; S908-N911 PolarHBondContact O-N 3.07Å; S908-S912 PolarHBondContact O-N 2.91Å
909	K	70.6	Confident	65.8	Low	147 Å²	147	85.1 Å²	85.1	64%	0.639	42%	0.424	S	S	*	.	H	α-helix	trans	-64.5	-42	174.7	-171.1	174.6	-177.5	177	0	112.3	N905 V906 I907 N911 Q913	N905-K909 WeakPolarHBondContact O-CB 3.3Å; N905-K909 PolarHBondContact O-N 3.4Å; N905-K909 VanDerWaalsContact O-N 3.09Å; V906-K909 PolarHBondContact O-N 3.39Å; I907-K909 VanDerWaalsContact C-N 3.33Å; I907-K909 PolarHBondContact O-N 3.14Å; K909-N911 VanDerWaalsContact C-N 3.33Å; K909-Q913 WeakPolarHBondContact O-CG 3.49Å; K909-Q913 PolarHBondContact O-N 3.4Å
910	Q	67.3	Low	65.4	Low	116 Å²	116	85 Å²	85	54%	0.542	42%	0.419	S	S	.	.	H	α-helix	trans	-66.2	-36.2	173.9	-74.4	-158.1	-5.3	0	0	112.2	V906 I907 Q913 I914	V906-Q910 WeakPolarHBondContact O-CG 3.31Å; V906-Q910 PolarHBondContact O-N 3.46Å; I907-Q910 CarbonylContact O-C 3.27Å; I907-Q910 PolarHBondContact O-N 2.88Å; Q910-Q913 WeakPolarHBondContact O-CB 3.44Å; Q910-Q913 PolarHBondContact O-N 3.01Å; Q910-I914 VanDerWaalsContact O-CG1 3.31Å; Q910-I914 WeakPolarHBondContact O-CG1 3.16Å; Q910-I914 PolarHBondContact O-N 3.34Å
911	N	66.2	Low	65.1	Low	29 Å²	29	84.3 Å²	84.3	16%	0.155	42%	0.42	C	S	.	.	H	α-helix	trans	-59.2	-52.3	175.7	-114.3	14.8	0	0	0	111.9	L866 I907 S908 K909 Q913 I914 I915	L866-N911 WeakPolarHBondContact CD1-OD1 3.48Å; L866-N911 HydrophobicContact CD2-CB 4.27Å; L866-N911 WeakPolarHBondContact CD2-ND2 3.44Å; L866-N911 WeakPolarHBondContact CD2-OD1 3.41Å; L866-N911 WeakPolarHBondContact CG-ND2 3.37Å; L866-N911 WeakPolarHBondContact CG-OD1 3.43Å; I907-N911 WeakPolarHBondContact O-CB 3.4Å; I907-N911 PolarHBondContact O-N 3.41Å; S908-N911 VanDerWaalsContact O-CB 3.3Å; S908-N911 WeakPolarHBondContact O-CB 3.39Å; S908-N911 PolarHBondContact O-N 3.07Å; K909-N911 VanDerWaalsContact C-N 3.33Å; N911-Q913 PolarHBondContact O-N 3.13Å; N911-I914 PolarHBondContact O-N 3.19Å; N911-I914 VanDerWaalsContact O-N 3.11Å; N911-I915 PolarHBondContact O-N 3.17Å
912	S	65.7	Low	64.5	Low	66 Å²	66	84.3 Å²	84.3	46%	0.462	42%	0.416	S	S	.	.	H	α-helix	trans	-56.6	-42.9	176.8	-167.5	0	0	0	0	110.5	S908 I914 I915 D916	S908-S912 PolarHBondContact O-N 2.91Å; S912-I914 PolarHBondContact O-N 3.16Å; S912-I915 PolarHBondContact O-N 2.75Å; S912-D916 VanDerWaalsContact O-CB 3.31Å; S912-D916 WeakPolarHBondContact O-CB 3.35Å; S912-D916 PolarHBondContact O-N 3.38Å
913	Q	68.2	Low	63.8	Low	100 Å²	100	83.6 Å²	83.6	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-37.2	177.3	-72.9	-178.9	-9.5	0	0	113.5	K909 Q910 N911 K917	K909-Q913 WeakPolarHBondContact O-CG 3.49Å; K909-Q913 PolarHBondContact O-N 3.4Å; Q910-Q913 WeakPolarHBondContact O-CB 3.44Å; Q910-Q913 PolarHBondContact O-N 3.01Å; N911-Q913 PolarHBondContact O-N 3.13Å; Q913-K917 WeakPolarHBondContact O-CB 3.3Å; Q913-K917 VanDerWaalsContact O-CG 3.28Å; Q913-K917 WeakPolarHBondContact O-CG 3.27Å; Q913-K917 PolarHBondContact O-N 3.27Å
914	I	63.6	Low	63.2	Low	76 Å²	76	84 Å²	84	39%	0.39	42%	0.42	S	S	.	.	H	α-helix	trans	-68.8	-47.1	177.4	-70.3	166.3	0	0	0	110.2	Q910 N911 S912 K917 L918	Q910-I914 VanDerWaalsContact O-CG1 3.31Å; Q910-I914 WeakPolarHBondContact O-CG1 3.16Å; Q910-I914 PolarHBondContact O-N 3.34Å; N911-I914 PolarHBondContact O-N 3.19Å; N911-I914 VanDerWaalsContact O-N 3.11Å; S912-I914 PolarHBondContact O-N 3.16Å; I914-K917 PolarHBondContact O-N 3.27Å; I914-L918 HydrophobicContact CG2-CD1 3.78Å; I914-L918 HydrophobicContact CG2-CG 4.46Å; I914-L918 WeakPolarHBondContact O-CB 3.47Å; I914-L918 VanDerWaalsContact O-CG 3.32Å; I914-L918 WeakPolarHBondContact O-CG 3.17Å; I914-L918 PolarHBondContact O-N 2.83Å
915	I	63	Low	62.5	Low	67 Å²	67	84 Å²	84	34%	0.344	43%	0.427	S	S	.	.	H	α-helix	trans	-61.9	-44.5	177.7	-68.9	174	0	0	0	110.6	L866 N911 S912 L918 N919	L866-I915 HydrophobicContact CD2-CD1 3.71Å; L866-I915 HydrophobicContact CD2-CG1 3.97Å; N911-I915 PolarHBondContact O-N 3.17Å; S912-I915 PolarHBondContact O-N 2.75Å; I915-L918 PolarHBondContact O-N 3.37Å; I915-N919 WeakPolarHBondContact O-CB 3.12Å; I915-N919 PolarHBondContact O-N 3.26Å
916	D	67.1	Low	61.7	Low	83 Å²	83	80.9 Å²	80.9	44%	0.444	41%	0.409	S	S	.	.	H	α-helix	trans	-62.1	-45.7	177.4	-74.8	-27.3	0	0	0	111.4	S912 L918 N919 I920	S912-D916 VanDerWaalsContact O-CB 3.31Å; S912-D916 WeakPolarHBondContact O-CB 3.35Å; S912-D916 PolarHBondContact O-N 3.38Å; D916-L918 VanDerWaalsContact C-N 3.32Å; D916-L918 PolarHBondContact O-N 3.23Å; D916-N919 PolarHBondContact O-N 3.33Å; D916-I920 WeakPolarHBondContact O-CB 3.29Å; D916-I920 WeakPolarHBondContact O-CD1 3.38Å; D916-I920 WeakPolarHBondContact O-CG1 3.41Å; D916-I920 PolarHBondContact O-N 2.83Å
917	K	64.4	Low	60.7	Low	141 Å²	141	81.4 Å²	81.4	61%	0.613	41%	0.406	S	S	*	.	H	α-helix	trans	-60.6	-41.2	175.3	-78.8	179.3	178.6	-178.3	0	112	Q913 I914 I920 I921	Q913-K917 WeakPolarHBondContact O-CB 3.3Å; Q913-K917 VanDerWaalsContact O-CG 3.28Å; Q913-K917 WeakPolarHBondContact O-CG 3.27Å; Q913-K917 PolarHBondContact O-N 3.27Å; I914-K917 PolarHBondContact O-N 3.27Å; K917-I920 PolarHBondContact O-N 3.38Å; K917-I921 WeakPolarHBondContact O-CD1 3.43Å; K917-I921 VanDerWaalsContact O-CG1 3.23Å; K917-I921 WeakPolarHBondContact O-CG1 3.41Å; K917-I921 PolarHBondContact O-N 3.34Å
918	L	60.4	Low	59.9	Low	40 Å²	40	85.4 Å²	85.4	21%	0.209	42%	0.422	C	S	.	.	H	α-helix	trans	-67.6	-41.3	177.7	-77.3	167.6	0	0	0	112.4	L859 L862 I914 I915 D916 I921 H922	L859-L918 HydrophobicContact CD1-CB 3.72Å; L859-L918 HydrophobicContact CD1-CD1 4.45Å; L859-L918 HydrophobicContact CD1-CD2 4.31Å; L859-L918 HydrophobicContact CD1-CG 4.39Å; L862-L918 HydrophobicContact CD1-CD1 4.23Å; I914-L918 HydrophobicContact CG2-CD1 3.78Å; I914-L918 HydrophobicContact CG2-CG 4.46Å; I914-L918 WeakPolarHBondContact O-CB 3.47Å; I914-L918 VanDerWaalsContact O-CG 3.32Å; I914-L918 WeakPolarHBondContact O-CG 3.17Å; I914-L918 PolarHBondContact O-N 2.83Å; I915-L918 PolarHBondContact O-N 3.37Å; D916-L918 VanDerWaalsContact C-N 3.32Å; D916-L918 PolarHBondContact O-N 3.23Å; L918-I921 WeakPolarHBondContact O-CB 3.47Å; L918-I921 PolarHBondContact O-N 3.03Å; L918-H922 PolarHBondContact O-N 3.32Å
919	N	58.4	Low	59.2	Low	73 Å²	73	85.2 Å²	85.2	39%	0.39	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-38.4	175	-80.7	-24.5	0	0	0	111.9	I915 D916 H922 K923	I915-N919 WeakPolarHBondContact O-CB 3.12Å; I915-N919 PolarHBondContact O-N 3.26Å; D916-N919 PolarHBondContact O-N 3.33Å; N919-H922 PolarHBondContact O-N 3.25Å; N919-K923 WeakPolarHBondContact O-CB 3.32Å; N919-K923 PolarHBondContact O-N 3.08Å
920	I	60.3	Low	58	Low	94 Å²	94	80.5 Å²	80.5	48%	0.482	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-44.3	172.6	-70.7	164.7	0	0	0	110.2	D916 K917 H922 K923 N924	D916-I920 WeakPolarHBondContact O-CB 3.29Å; D916-I920 WeakPolarHBondContact O-CD1 3.38Å; D916-I920 WeakPolarHBondContact O-CG1 3.41Å; D916-I920 PolarHBondContact O-N 2.83Å; K917-I920 PolarHBondContact O-N 3.38Å; I920-H922 VanDerWaalsContact C-N 3.35Å; I920-H922 PolarHBondContact O-N 3.43Å; I920-K923 PolarHBondContact O-N 2.94Å; I920-N924 WeakPolarHBondContact CG2-ND2 3.34Å; I920-N924 VanDerWaalsContact O-CB 3.25Å; I920-N924 WeakPolarHBondContact O-CB 3.44Å; I920-N924 PolarHBondContact O-N 2.99Å
921	I	57.2	Low	57.1	Low	77 Å²	77	78 Å²	78	40%	0.395	39%	0.389	S	S	.	.	H	α-helix	trans	-59.5	-45.3	175.2	-71.5	164	0	0	0	110.7	K917 L918 I925	K917-I921 WeakPolarHBondContact O-CD1 3.43Å; K917-I921 VanDerWaalsContact O-CG1 3.23Å; K917-I921 WeakPolarHBondContact O-CG1 3.41Å; K917-I921 PolarHBondContact O-N 3.34Å; L918-I921 WeakPolarHBondContact O-CB 3.47Å; L918-I921 PolarHBondContact O-N 3.03Å; I921-I925 HydrophobicContact CG2-CD1 4.11Å; I921-I925 WeakPolarHBondContact O-CB 3.31Å; I921-I925 PolarHBondContact O-N 3.46Å; I921-I925 VanDerWaalsContact O-N 3.12Å
922	H	55.8	Low	56.2	Low	42 Å²	42	81 Å²	81	19%	0.194	40%	0.401	C	S	.	.	I	π-helix	trans	-63.6	-47.3	178.6	-169.5	72.6	0	0	0	112.6	L918 N919 I920 I926 H927	L918-H922 PolarHBondContact O-N 3.32Å; N919-H922 PolarHBondContact O-N 3.25Å; I920-H922 VanDerWaalsContact C-N 3.35Å; I920-H922 PolarHBondContact O-N 3.43Å; H922-I926 PolarHBondContact O-N 3.3Å; H922-H927 PolarHBondContact O-N 3.43Å
923	K	53.7	Low	55.4	Low	151 Å²	151	78.6 Å²	78.6	66%	0.657	38%	0.383	S	S	*	.	I	π-helix	trans	-68.2	-49.2	179.5	-99.7	-177.7	174.5	176.7	0	113	N919 I920	N919-K923 WeakPolarHBondContact O-CB 3.32Å; N919-K923 PolarHBondContact O-N 3.08Å; I920-K923 PolarHBondContact O-N 2.94Å
924	N	51.2	Low	54.3	Low	95 Å²	95	80 Å²	80	51%	0.508	39%	0.39	S	S	.	.	I	π-helix	trans	-76.8	-37	-171.3	-79.4	-18.6	0	0	0	113.1	I920	I920-N924 WeakPolarHBondContact CG2-ND2 3.34Å; I920-N924 VanDerWaalsContact O-CB 3.25Å; I920-N924 WeakPolarHBondContact O-CB 3.44Å; I920-N924 PolarHBondContact O-N 2.99Å
925	I	51.3	Low	53.3	Low	99 Å²	99	85.1 Å²	85.1	51%	0.508	41%	0.414	S	S	.	.	I	π-helix	trans	-91.5	-31.6	-173	-56.2	-175.5	0	0	0	111.9	I921 N929	I921-I925 HydrophobicContact CG2-CD1 4.11Å; I921-I925 WeakPolarHBondContact O-CB 3.31Å; I921-I925 PolarHBondContact O-N 3.46Å; I921-I925 VanDerWaalsContact O-N 3.12Å; I925-N929 WeakPolarHBondContact O-CB 3.45Å; I925-N929 PolarHBondContact O-ND2 3.12Å
926	I	52.1	Low	52.8	Low	22 Å²	22	86.1 Å²	86.1	11%	0.113	42%	0.418	C	S	.	.	I	π-helix	trans	-114	-49.6	-167	-55.8	-175.5	0	0	0	112.5	Q852 L855 H922 K928 N929 Y930	Q852-I926 HydrophobicContact CB-CG2 3.76Å; Q852-I926 HydrophobicContact CG-CG2 3.75Å; L855-I926 HydrophobicContact CB-CD1 4.37Å; L855-I926 HydrophobicContact CD2-CD1 3.47Å; L855-I926 VanDerWaalsContact CD2-CD1 3.47Å; H922-I926 PolarHBondContact O-N 3.3Å; I926-K928 PolarHBondContact O-N 3.16Å; I926-N929 WeakPolarHBondContact O-CA 3.3Å; I926-N929 PolarHBondContact O-N 2.97Å; I926-Y930 PolarHBondContact O-N 3.31Å
927	H	48.1	Very low	52.1	Low	97 Å²	97	86.2 Å²	86.2	45%	0.449	42%	0.416	S	S	.	.	I	π-helix	trans	-65.6	-43.8	-173.1	-138.8	-37.4	0	0	0	112.3	H922 N929 Y930 T931	H922-H927 PolarHBondContact O-N 3.43Å; H927-N929 VanDerWaalsContact C-N 3.27Å; H927-N929 PolarHBondContact O-N 3.44Å; H927-Y930 PolarHBondContact O-N 2.71Å; H927-T931 PolarHBondContact O-N 3.01Å; H927-T931 PolarHBondContact O-OG1 2.8Å
928	K	48	Very low	51.4	Low	136 Å²	136	83.2 Å²	83.2	59%	0.591	41%	0.405	S	S	*	.	H	α-helix	trans	-61.5	-35.2	171	-82.6	-174.3	174.2	-179.7	0	112.3	I926	I926-K928 PolarHBondContact O-N 3.16Å
929	N	50.8	Low	50.9	Low	39 Å²	39	85.7 Å²	85.7	21%	0.209	42%	0.417	C	S	.	.	H	α-helix	trans	-72.5	-36.5	-178.7	-80.1	-1.5	0	0	0	112.7	M807 I925 I926 H927	M807-N929 HydrophobicContact CE-CB 3.9Å; M807-N929 WeakPolarHBondContact CE-O 3.42Å; I925-N929 WeakPolarHBondContact O-CB 3.45Å; I925-N929 PolarHBondContact O-ND2 3.12Å; I926-N929 WeakPolarHBondContact O-CA 3.3Å; I926-N929 PolarHBondContact O-N 2.97Å; H927-N929 VanDerWaalsContact C-N 3.27Å; H927-N929 PolarHBondContact O-N 3.44Å
930	Y	44.9	Very low	50.4	Low	48 Å²	48	86.5 Å²	86.5	19%	0.188	42%	0.419	C	S	.	.	H	α-helix	trans	-77.2	-46.6	-176.4	-173.5	-103.8	0	0	0	113.7	N849 I926 H927 H932 L933 Q934	N849-Y930 VanDerWaalsContact ND2-CE2 3.31Å; N849-Y930 WeakPolarHBondContact ND2-CE2 3.24Å; N849-Y930 PolarHBondContact ND2-OH 2.92Å; N849-Y930 WeakPolarHBondContact OD1-CD2 3.44Å; N849-Y930 WeakPolarHBondContact OD1-CE2 3.25Å; I926-Y930 PolarHBondContact O-N 3.31Å; H927-Y930 PolarHBondContact O-N 2.71Å; Y930-H932 PolarHBondContact O-N 3.38Å; Y930-L933 PolarHBondContact O-N 3.19Å; Y930-L933 VanDerWaalsContact O-N 3.11Å; Y930-Q934 HydrophobicContact CE1-CG 4.15Å; Y930-Q934 PolarHBondContact O-N 2.9Å; Y930-Q934 PolarHBondContact OH-NE2 2.95Å
931	T	47.7	Very low	49.7	Very low	64 Å²	64	86 Å²	86	39%	0.393	41%	0.414	S	S	.	.	H	α-helix	trans	-62.6	-32.4	-178	18.9	0	0	0	0	112.4	H927 M935	H927-T931 PolarHBondContact O-N 3.01Å; H927-T931 PolarHBondContact O-OG1 2.8Å; T931-M935 PolarHBondContact O-N 3.12Å
932	H	48.1	Very low	49.2	Very low	92 Å²	92	86.6 Å²	86.6	43%	0.426	42%	0.416	S	S	.	.	H	α-helix	trans	-80.6	-17.5	176.7	-94.5	-57.4	0	0	0	115.2	M807 Y930	M807-H932 HydrophobicContact CE-CB 3.84Å; M807-H932 HydrophobicContact SD-CB 3.98Å; Y930-H932 PolarHBondContact O-N 3.38Å
933	L	48.1	Very low	48.7	Very low	14 Å²	14	90.1 Å²	90.1	7%	0.073	43%	0.433	C	S	.	.	H	α-helix	trans	-85.5	-23.1	173	-99.3	154.7	0	0	0	112.2	M807 L810 V841 I844 L848 Y930	M807-L933 HydrophobicContact CE-CD1 4.44Å; L810-L933 HydrophobicContact CD2-CD1 4.34Å; L810-L933 HydrophobicContact CD2-CD2 3.95Å; L810-L933 HydrophobicContact CD2-CG 4.08Å; V841-L933 HydrophobicContact CG1-CD2 3.95Å; I844-L933 HydrophobicContact CG2-CD1 4.06Å; I844-L933 HydrophobicContact CG2-CD2 4.23Å; L848-L933 HydrophobicContact CD1-CD1 3.26Å; Y930-L933 PolarHBondContact O-N 3.19Å; Y930-L933 VanDerWaalsContact O-N 3.11Å
934	Q	47.2	Very low	48.3	Very low	131 Å²	131	85 Å²	85	61%	0.612	41%	0.414	S	S	*	.	H	α-helix	trans	-78.7	-36.2	171.3	-86.3	-170.2	-40.8	0	0	113	Y930	Y930-Q934 HydrophobicContact CE1-CG 4.15Å; Y930-Q934 PolarHBondContact O-N 2.9Å; Y930-Q934 PolarHBondContact OH-NE2 2.95Å
935	M	41.9	Very low	48	Very low	183 Å²	183	84.1 Å²	84.1	90%	0.901	41%	0.406	S	S	*	.			trans	-69.9	0	166.9	-80.9	-169.4	-92.6	0	0	110.3	T931	T931-M935 PolarHBondContact O-N 3.12Å

Retrieved 935 of 935 residues in 1226.3 ms (Link to these results)

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