A0A087YHI6_POEFO Loading...

Solute carrier family 8 member 3

AlphaFold DB , UniProt , Accession A0A087YHI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 925 aa.

						>A0A087YHI6_POEFO|A0A087YHI6
MEGSRPLKPGTSACLWLGLVSVAVAFLCTEARTTPSPLLSPNNATCKGNSKCQTGIILPIWYPEDPSMGDKIARVIVYFVAMIYMFLGVSIIADRFMAAIEVITSQEREIVIKRPNGETTTTTIRVWNETVSNLTLMALGSSAPEILLSVIEVCGHEFKSGELGPSTIVGSAAFNMFVIIGLCVSVIPQGEVRKVKHLRVFFVTAGWSIFAYIWLYMILAVFSPNVVQVWEGLVTLSFFPICVLLAWVADRRLLFYKFMHKKYRTDKHRGVIIETETERSKGIEMDGKMVNSHFMDGSATSNLIGLIESKEVDESRRDMIRILKDLKQKHPEKDLDQLVEMANYYALSHQQKSRAFYRIQATRMMTGAGNILKKHVAEQAKKSTSVQEVHVEEPEEYVSRIAFEPAAYQCLENCGAAILTVTRKGGDINKTIYVDYKTEDGSANAGADYEFTEGMVVFKPGEIIKEISIGIIDDDIFEEDEHFFVRLNNLRVLETEDEVLSANSLPYPKAILGFPTVATVTILDDDHSGIFTFESGSVHISESIGIMEVKVLRTSGARGTVIVPYRTVEGLAKGGGEDFEDTYGELEFKNDETCKFVHVKIIDDEEYEKNKNFFLELAEPRMVDMSLQKALLLADDVPDRKLTSDEEEAKRIAEMGKPVLGEHPRLEVIIEESYEFKSTVDKLIKKTNLALVVGTNSWREQFMEAITVSADEDEEDTGEERLPSCFDYVMHFLTVFWKVLFACVPPTDYLNGWACFIVSIAIIGLLTAVIGDLASHFGCTIGLKDSVTAVVFVALGTSVPDTFASKVAAVQDTYADASIGNVTGSNAVNVFLGIGMAWSVAAIYWHMKGKPFVVEAGSLAFSVTLFTIFAFLAVSVLLYRRRAHIGGELGGPRGHRLATSAIFFSLWFLYILFSSLEAYCHIEGF
					

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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	34.7	Very low	29.9	Very low	250 Å²	250	146.8 Å²	146.8	100%	1.232	82%	0.816	S	S	*	*				0	88.4	0	-83.4	179.7	171.3	0	0	106.8
2	E	28.2	Very low	30.7	Very low	195 Å²	195	139.6 Å²	139.6	91%	0.911	78%	0.783	S	S	*	*			trans	-68.5	123.2	177.3	-78.1	155.8	128.3	0	0	110	S4	E2-S4 PolarHBondContact O-N 3.45Å
3	G	26.2	Very low	30.9	Very low	73 Å²	73	133.4 Å²	133.4	75%	0.753	76%	0.761	S	S	*	*			trans	-82.8	98	166.3	0	0	0	0	0	109.2	R5	G3-R5 PolarHBondContact O-N 3.47Å; G3-R5 VanDerWaalsContact O-N 3.09Å
4	S	25.4	Very low	30.8	Very low	117 Å²	117	130.1 Å²	130.1	82%	0.818	75%	0.748	S	S	*	*			trans	-59.9	103.1	169.7	33.3	0	0	0	0	110.7	E2	E2-S4 PolarHBondContact O-N 3.45Å
5	R	26	Very low	31.2	Very low	233 Å²	233	128.3 Å²	128.3	88%	0.879	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-71.6	132.6	161.9	-72.2	-178	-179	-179.9	1	108.1	G3 L7	G3-R5 PolarHBondContact O-N 3.47Å; G3-R5 VanDerWaalsContact O-N 3.09Å; R5-L7 PolarHBondContact O-N 3.1Å
6	P	27	Very low	31.6	Very low	119 Å²	119	126.5 Å²	126.5	77%	0.773	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-70.2	125.3	179.8	28.1	-31.2	0	0	0	109.4	K8	P6-K8 PolarHBondContact O-N 2.99Å; P6-K8 VanDerWaalsContact O-N 3.17Å
7	L	27.5	Very low	31.8	Very low	164 Å²	164	126.2 Å²	126.2	86%	0.859	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-50.2	120.4	162.6	-95.8	85.7	0	0	0	108.1	R5 P9	R5-L7 PolarHBondContact O-N 3.1Å; L7-P9 VanDerWaalsContact O-CD 3.26Å; L7-P9 WeakPolarHBondContact O-CD 3.23Å
8	K	30	Very low	32	Very low	199 Å²	199	120.9 Å²	120.9	87%	0.865	69%	0.687	S	S	*	*			trans	-67.5	115.5	160.6	-78.2	177.6	178.9	171.1	0	106.7	P6 G10	P6-K8 PolarHBondContact O-N 2.99Å; P6-K8 VanDerWaalsContact O-N 3.17Å; K8-G10 PolarHBondContact O-N 3.11Å
9	P	30	Very low	32.7	Very low	97 Å²	97	118.6 Å²	118.6	63%	0.63	67%	0.671	S	S	*	*			trans	-68.3	135.1	171.9	26.8	-26.3	0	0	0	108	L7 T11	L7-P9 VanDerWaalsContact O-CD 3.26Å; L7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-T11 PolarHBondContact O-N 2.91Å
10	G	35.5	Very low	33.3	Very low	55 Å²	55	114.9 Å²	114.9	57%	0.567	65%	0.651	S	S	*	*			trans	-53.2	107.7	176.1	0	0	0	0	0	110.3	K8 S12 A13	K8-G10 PolarHBondContact O-N 3.11Å; G10-S12 PolarHBondContact O-N 2.97Å; G10-S12 VanDerWaalsContact O-N 3.08Å; G10-A13 PolarHBondContact O-N 2.95Å
11	T	38.1	Very low	33.5	Very low	113 Å²	113	112.8 Å²	112.8	69%	0.693	64%	0.644	S	S	*	*	H	α-helix	trans	-57.4	-26.1	-177.6	41.3	0	0	0	0	112.3	P9 L15	P9-T11 PolarHBondContact O-N 2.91Å; T11-L15 VanDerWaalsContact O-CB 3.31Å; T11-L15 WeakPolarHBondContact O-CB 3.35Å; T11-L15 WeakPolarHBondContact O-CD1 3.35Å; T11-L15 PolarHBondContact O-N 2.56Å
12	S	40	Very low	33.8	Very low	60 Å²	60	104.9 Å²	104.9	42%	0.42	61%	0.609	S	S	.	*	H	α-helix	trans	-71.2	-43.7	-179.3	-144.1	0	0	0	0	113.3	G10 L15 W16	G10-S12 PolarHBondContact O-N 2.97Å; G10-S12 VanDerWaalsContact O-N 3.08Å; S12-L15 PolarHBondContact O-N 3.07Å; S12-W16 WeakPolarHBondContact O-CB 3.43Å; S12-W16 PolarHBondContact O-N 3.18Å
13	A	33.1	Very low	34.4	Very low	59 Å²	59	97 Å²	97	49%	0.488	58%	0.578	S	S	.	*	H	α-helix	trans	-72.9	-37.1	-177	0	0	0	0	0	112.5	G10 W16 L17	G10-A13 PolarHBondContact O-N 2.95Å; A13-W16 PolarHBondContact O-N 3.5Å; A13-L17 WeakPolarHBondContact O-CB 3.46Å; A13-L17 PolarHBondContact O-N 2.9Å
14	C	29.8	Very low	35.3	Very low	87 Å²	87	96.3 Å²	96.3	59%	0.588	56%	0.559	S	S	*	*	H	α-helix	trans	-71.2	-32.5	174.6	-78.8	0	0	0	0	113.1	G18	C14-G18 WeakPolarHBondContact O-CA 3.25Å; C14-G18 PolarHBondContact O-N 3.33Å
15	L	36.4	Very low	36	Very low	104 Å²	104	93.4 Å²	93.4	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-68.2	-40.3	171.3	-98.6	150.4	0	0	0	111.4	T11 S12 L19	T11-L15 VanDerWaalsContact O-CB 3.31Å; T11-L15 WeakPolarHBondContact O-CB 3.35Å; T11-L15 WeakPolarHBondContact O-CD1 3.35Å; T11-L15 PolarHBondContact O-N 2.56Å; S12-L15 PolarHBondContact O-N 3.07Å; L15-L19 HydrophobicContact CD2-CD1 3.9Å; L15-L19 HydrophobicContact CD2-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 WeakPolarHBondContact O-CD1 3.42Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.93Å
16	W	37.9	Very low	36.9	Very low	99 Å²	99	88.5 Å²	88.5	38%	0.375	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-50.3	177.7	-91.4	74.8	0	0	0	112.7	S12 A13 G18 V20 L795 V799	S12-W16 WeakPolarHBondContact O-CB 3.43Å; S12-W16 PolarHBondContact O-N 3.18Å; A13-W16 PolarHBondContact O-N 3.5Å; W16-G18 VanDerWaalsContact C-N 3.3Å; W16-G18 PolarHBondContact O-N 2.86Å; W16-V20 VanDerWaalsContact O-CB 3.26Å; W16-V20 WeakPolarHBondContact O-CB 3.19Å; W16-V20 WeakPolarHBondContact O-CG2 3.15Å; W16-V20 PolarHBondContact O-N 3.05Å; W16-L795 HydrophobicContact CH2-CD1 4.02Å; W16-L795 HydrophobicContact CH2-CD2 3.33Å; W16-L795 HydrophobicContact CH2-CG 3.71Å; W16-L795 HydrophobicContact CZ3-CD1 4.16Å; W16-L795 HydrophobicContact CZ3-CD2 3.39Å; W16-L795 HydrophobicContact CZ3-CG 4.12Å; W16-V799 HydrophobicContact CH2-CG2 3.73Å; W16-V799 HydrophobicContact CZ2-CG2 4.23Å
17	L	35.4	Very low	37.7	Very low	121 Å²	121	85.3 Å²	85.3	63%	0.634	50%	0.503	S	S	*	.	H	α-helix	trans	-67.7	-31.7	176.2	-78.8	158.2	0	0	0	112.3	A13 S21	A13-L17 WeakPolarHBondContact O-CB 3.46Å; A13-L17 PolarHBondContact O-N 2.9Å; L17-S21 WeakPolarHBondContact O-CA 3.24Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 2.69Å; L17-S21 PolarHBondContact O-OG 3.12Å
18	G	34.6	Very low	38.2	Very low	32 Å²	32	81 Å²	81	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-72.5	-44.3	175.5	0	0	0	0	0	113.2	C14 W16 V22	C14-G18 WeakPolarHBondContact O-CA 3.25Å; C14-G18 PolarHBondContact O-N 3.33Å; W16-G18 VanDerWaalsContact C-N 3.3Å; W16-G18 PolarHBondContact O-N 2.86Å; G18-V22 VanDerWaalsContact O-CB 3.3Å; G18-V22 WeakPolarHBondContact O-CB 3.38Å; G18-V22 WeakPolarHBondContact O-CG2 3.38Å; G18-V22 PolarHBondContact O-N 3.45Å
19	L	44.6	Very low	38.6	Very low	76 Å²	76	76.3 Å²	76.3	40%	0.398	47%	0.474	S	S	.	.	H	α-helix	trans	-71.3	-40.9	178.3	-78.5	162.1	0	0	0	111.7	L15 V22 A23	L15-L19 HydrophobicContact CD2-CD1 3.9Å; L15-L19 HydrophobicContact CD2-CG 4.47Å; L15-L19 WeakPolarHBondContact O-CB 3.28Å; L15-L19 WeakPolarHBondContact O-CD1 3.42Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.93Å; L19-V22 PolarHBondContact O-N 2.9Å; L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 3.1Å
20	V	45.9	Very low	39.1	Very low	44 Å²	44	77 Å²	77	27%	0.267	47%	0.469	S	S	.	.	H	α-helix	trans	-68.3	-42.2	173.5	175.3	0	0	0	0	110.3	W16 V22 A23 V24	W16-V20 VanDerWaalsContact O-CB 3.26Å; W16-V20 WeakPolarHBondContact O-CB 3.19Å; W16-V20 WeakPolarHBondContact O-CG2 3.15Å; W16-V20 PolarHBondContact O-N 3.05Å; V20-V22 VanDerWaalsContact C-N 3.34Å; V20-V22 PolarHBondContact O-N 2.9Å; V20-A23 PolarHBondContact O-N 3.5Å; V20-V24 HydrophobicContact CG1-CG2 3.93Å; V20-V24 WeakPolarHBondContact O-CB 3.26Å; V20-V24 WeakPolarHBondContact O-CG2 3.33Å; V20-V24 PolarHBondContact O-N 3.26Å
21	S	37	Very low	39.2	Very low	72 Å²	72	78.6 Å²	78.6	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-36.5	174.5	-73.8	0	0	0	0	112.8	L17 A25	L17-S21 WeakPolarHBondContact O-CA 3.24Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 2.69Å; L17-S21 PolarHBondContact O-OG 3.12Å; S21-A25 WeakPolarHBondContact O-CA 3.33Å; S21-A25 WeakPolarHBondContact O-CB 3.41Å; S21-A25 PolarHBondContact O-N 3.18Å
22	V	40.5	Very low	39.1	Very low	83 Å²	83	83.6 Å²	83.6	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-73.5	-42.3	178.4	169.5	0	0	0	0	110.7	G18 L19 V20 A25 F26	G18-V22 VanDerWaalsContact O-CB 3.3Å; G18-V22 WeakPolarHBondContact O-CB 3.38Å; G18-V22 WeakPolarHBondContact O-CG2 3.38Å; G18-V22 PolarHBondContact O-N 3.45Å; L19-V22 PolarHBondContact O-N 2.9Å; V20-V22 VanDerWaalsContact C-N 3.34Å; V20-V22 PolarHBondContact O-N 2.9Å; V22-A25 PolarHBondContact O-N 3.18Å; V22-F26 WeakPolarHBondContact O-CB 3.37Å; V22-F26 PolarHBondContact O-N 2.84Å
23	A	40.9	Very low	38.7	Very low	31 Å²	31	87.1 Å²	87.1	26%	0.256	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-44.3	175.8	0	0	0	0	0	111.9	L19 V20 F26 L27	L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 3.1Å; V20-A23 PolarHBondContact O-N 3.5Å; A23-F26 PolarHBondContact O-N 2.79Å; A23-L27 WeakPolarHBondContact O-CB 3.21Å; A23-L27 WeakPolarHBondContact O-CD1 3.43Å; A23-L27 VanDerWaalsContact O-CG 3.24Å; A23-L27 WeakPolarHBondContact O-CG 3.33Å; A23-L27 PolarHBondContact O-N 3.21Å
24	V	45.4	Very low	38.5	Very low	58 Å²	58	90.9 Å²	90.9	35%	0.352	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-37.2	175.6	173.9	0	0	0	0	111	V20 C28	V20-V24 HydrophobicContact CG1-CG2 3.93Å; V20-V24 WeakPolarHBondContact O-CB 3.26Å; V20-V24 WeakPolarHBondContact O-CG2 3.33Å; V20-V24 PolarHBondContact O-N 3.26Å; V24-C28 WeakPolarHBondContact O-CB 3.33Å; V24-C28 PolarHBondContact O-N 2.77Å; V24-C28 PolarHBondContact O-SG 3.13Å
25	A	40.6	Very low	39	Very low	55 Å²	55	92.4 Å²	92.4	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-39.6	175.2	0	0	0	0	0	112	S21 V22 T29	S21-A25 WeakPolarHBondContact O-CA 3.33Å; S21-A25 WeakPolarHBondContact O-CB 3.41Å; S21-A25 PolarHBondContact O-N 3.18Å; V22-A25 PolarHBondContact O-N 3.18Å; A25-T29 WeakPolarHBondContact O-CG2 3.44Å; A25-T29 PolarHBondContact O-N 3.09Å; A25-T29 PolarHBondContact O-OG1 3.34Å
26	F	44.2	Very low	38.6	Very low	131 Å²	131	93.1 Å²	93.1	58%	0.575	54%	0.541	S	S	*	.	H	α-helix	trans	-67.3	-42.7	176	-122.2	-93.6	0	0	0	111.9	V22 A23 T29	V22-F26 WeakPolarHBondContact O-CB 3.37Å; V22-F26 PolarHBondContact O-N 2.84Å; A23-F26 PolarHBondContact O-N 2.79Å; F26-T29 WeakPolarHBondContact CA-OG1 3.29Å; F26-T29 PolarHBondContact O-N 2.88Å; F26-T29 PolarHBondContact O-OG1 2.85Å
27	L	45.1	Very low	38.9	Very low	51 Å²	51	93.7 Å²	93.7	27%	0.267	56%	0.558	S	S	.	*	H	α-helix	trans	-70.6	-36.4	177.5	-71.4	164.8	0	0	0	112.3	A23 E30	A23-L27 WeakPolarHBondContact O-CB 3.21Å; A23-L27 WeakPolarHBondContact O-CD1 3.43Å; A23-L27 VanDerWaalsContact O-CG 3.24Å; A23-L27 WeakPolarHBondContact O-CG 3.33Å; A23-L27 PolarHBondContact O-N 3.21Å; L27-E30 PolarHBondContact O-N 2.89Å
28	C	37.8	Very low	39.3	Very low	74 Å²	74	96 Å²	96	50%	0.5	57%	0.57	S	S	.	*	H	α-helix	trans	-73.3	-24.4	176.1	-78.2	0	0	0	0	113.4	V24 E30	V24-C28 WeakPolarHBondContact O-CB 3.33Å; V24-C28 PolarHBondContact O-N 2.77Å; V24-C28 PolarHBondContact O-SG 3.13Å; C28-E30 VanDerWaalsContact C-N 3.3Å
29	T	37.8	Very low	39.1	Very low	100 Å²	100	102.3 Å²	102.3	61%	0.613	60%	0.595	S	S	*	*	H	α-helix	trans	-69.6	-26.2	173.4	36.9	0	0	0	0	113.2	A25 F26	A25-T29 WeakPolarHBondContact O-CG2 3.44Å; A25-T29 PolarHBondContact O-N 3.09Å; A25-T29 PolarHBondContact O-OG1 3.34Å; F26-T29 WeakPolarHBondContact CA-OG1 3.29Å; F26-T29 PolarHBondContact O-N 2.88Å; F26-T29 PolarHBondContact O-OG1 2.85Å
30	E	41.3	Very low	38.4	Very low	113 Å²	113	103.3 Å²	103.3	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-89.3	-16.6	-179.6	-74	-174.6	156.4	0	0	114.1	L27 C28 R32	L27-E30 PolarHBondContact O-N 2.89Å; C28-E30 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.13Å
31	A	36	Very low	37.9	Very low	87 Å²	87	107.2 Å²	107.2	72%	0.719	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	3.4	173	0	0	0	0	0	114.3
32	R	36.5	Very low	37.8	Very low	219 Å²	219	110.7 Å²	110.7	83%	0.826	65%	0.648	S	S	*	*			trans	-118.8	80.2	173.8	-71.9	-175.2	-177.8	-178.7	2.2	111.4	E30	E30-R32 PolarHBondContact O-N 3.13Å
33	T	31.8	Very low	37.7	Very low	134 Å²	134	112.2 Å²	112.2	82%	0.822	65%	0.653	S	S	*	*			trans	-138.2	131.6	155.7	44	0	0	0	0	112.5
34	T	29.4	Very low	37.7	Very low	137 Å²	137	115.2 Å²	115.2	84%	0.84	68%	0.678	S	S	*	*			trans	-68.4	157.2	179.5	40.1	0	0	0	0	113.5
35	P	40.8	Very low	37.8	Very low	120 Å²	120	118 Å²	118	78%	0.779	70%	0.695	S	S	*	*			trans	-87.5	137.5	-173.7	34.1	-32.1	0	0	0	113.2
36	S	26.9	Very low	38.4	Very low	118 Å²	118	118 Å²	118	83%	0.825	69%	0.692	S	S	*	*			trans	163.1	164.4	142.8	41.5	0	0	0	0	112.7
37	P	44.4	Very low	38.5	Very low	111 Å²	111	121.1 Å²	121.1	72%	0.721	71%	0.705	S	S	*	*			cis	-127.1	157	-38.7	34	-17.2	0	0	0	114.1
38	L	44.2	Very low	38.4	Very low	169 Å²	169	121.7 Å²	121.7	89%	0.885	72%	0.723	S	S	*	*			trans	30.9	105.3	153.7	-77.6	147.8	0	0	0	120.4
39	L	30	Very low	38.7	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	74%	0.74	S	S	*	*			trans	-150.5	132.5	146.6	-120.1	109.4	0	0	0	112.2
40	S	29.8	Very low	39.6	Very low	97 Å²	97	124.2 Å²	124.2	68%	0.678	73%	0.732	S	S	*	*			trans	60.2	134.9	158.9	-46.5	0	0	0	0	121.8	N42	S40-N42 PolarHBondContact O-N 3.07Å
41	P	36.5	Very low	40.5	Very low	127 Å²	127	127.3 Å²	127.3	83%	0.825	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	24.3	-171.9	36.6	-27.7	0	0	0	115.7
42	N	33.7	Very low	42.1	Very low	145 Å²	145	124.4 Å²	124.4	78%	0.775	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-3.8	-175.1	-77.3	3.2	0	0	0	116.3	S40	S40-N42 PolarHBondContact O-N 3.07Å
43	N	37.9	Very low	43.8	Very low	115 Å²	115	120.5 Å²	120.5	62%	0.615	71%	0.71	S	S	*	*			trans	-114.7	77.6	178.8	-73.3	1	0	0	0	111.2	T45	N43-T45 VanDerWaalsContact C-N 3.29Å; N43-T45 PolarHBondContact O-N 3.23Å
44	A	42.4	Very low	45.9	Very low	94 Å²	94	118.6 Å²	118.6	78%	0.777	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-76.1	-10.6	178	0	0	0	0	0	114.1
45	T	47.5	Very low	48.2	Very low	115 Å²	115	113 Å²	113	71%	0.706	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-86.1	-15.1	-175.4	45.2	0	0	0	0	114.9	N43	N43-T45 VanDerWaalsContact C-N 3.29Å; N43-T45 PolarHBondContact O-N 3.23Å
46	C	52.8	Low	50.1	Low	57 Å²	57	110.6 Å²	110.6	39%	0.385	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-98.9	8.3	-177.1	-54.1	0	0	0	0	113.8	C920	C46-C920 HydrophobicContact CB-CB 3.83Å; C46-C920 WeakPolarHBondContact CB-SG 3.45Å; C46-C920 WeakPolarHBondContact SG-CB 3.44Å; C46-C920 CovalentContact SG-SG 2.04Å; C46-C920 PolarHBondContact SG-SG 3Å
47	K	45.4	Very low	52.8	Low	196 Å²	196	108.7 Å²	108.7	85%	0.852	63%	0.627	S	S	*	*			trans	-121.6	93.6	174	-82.2	-175.4	177.9	175.6	0	110.8
48	G	44.1	Very low	54.7	Low	62 Å²	62	106 Å²	106	64%	0.639	61%	0.607	S	S	*	*			trans	-155.6	112.5	163	0	0	0	0	0	109.3	S50	G48-S50 PolarHBondContact O-N 2.87Å; G48-S50 VanDerWaalsContact O-N 3.08Å
49	N	44.2	Very low	56.5	Low	163 Å²	163	102.8 Å²	102.8	87%	0.872	60%	0.596	S	S	*	*			trans	-55	115.7	154	-82.6	14	0	0	0	105.7	K51	N49-K51 VanDerWaalsContact C-N 3.33Å; N49-K51 PolarHBondContact O-N 3.01Å
50	S	55.1	Low	58.6	Low	64 Å²	64	95.7 Å²	95.7	45%	0.448	56%	0.558	S	S	.	*			trans	-58.7	98.4	171.6	14.4	0	0	0	0	107.5	G48 C52	G48-S50 PolarHBondContact O-N 2.87Å; G48-S50 VanDerWaalsContact O-N 3.08Å; S50-C52 PolarHBondContact O-N 3.1Å
51	K	61.4	Low	60.9	Low	178 Å²	178	96.6 Å²	96.6	77%	0.774	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-66	127.2	170.2	-72	-175.8	176.2	-177.1	0	107	N49 Q53	N49-K51 VanDerWaalsContact C-N 3.33Å; N49-K51 PolarHBondContact O-N 3.01Å; K51-Q53 PolarHBondContact O-N 2.77Å
52	C	70.3	Confident	62.6	Low	26 Å²	26	97.4 Å²	97.4	18%	0.176	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-60.2	126.9	178.6	-55.7	0	0	0	0	109.2	S50 I60 C779	S50-C52 PolarHBondContact O-N 3.1Å; C52-I60 HydrophobicContact CB-CD1 4.32Å; C52-I60 HydrophobicContact CB-CG2 4.41Å; C52-I60 WeakPolarHBondContact O-CD1 3.45Å; C52-C779 WeakPolarHBondContact CA-SG 3.35Å; C52-C779 HydrophobicContact CB-CB 4Å; C52-C779 WeakPolarHBondContact CB-SG 3.48Å; C52-C779 PolarHBondContact N-SG 2.9Å; C52-C779 VanDerWaalsContact N-SG 3.36Å; C52-C779 WeakPolarHBondContact SG-CB 3.18Å; C52-C779 CovalentContact SG-SG 2.03Å; C52-C779 PolarHBondContact SG-SG 3.21Å
53	Q	70.4	Confident	64.4	Low	138 Å²	138	94.1 Å²	94.1	65%	0.645	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-93.9	154	173.5	-63.1	-173	21.2	0	0	109.5	K51 G55 I60 H776	K51-Q53 PolarHBondContact O-N 2.77Å; Q53-G55 PolarHBondContact O-N 2.88Å; Q53-I60 WeakPolarHBondContact O-CG1 3.13Å; Q53-H776 PolarHBondContact O-CE1 3.4Å
54	T	76.9	Confident	65.6	Low	94 Å²	94	93.2 Å²	93.2	58%	0.577	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-68.5	130.8	174.2	46	0	0	0	0	109	I60	T54-I60 HydrophobicContact CG2-CD1 3.68Å; T54-I60 HydrophobicContact CG2-CG1 3.86Å
55	G	77.1	Confident	66.7	Low	20 Å²	20	95.3 Å²	95.3	21%	0.206	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-63.2	165.2	173.7	0	0	0	0	0	111.7	Q53 I57 L58 D772	Q53-G55 PolarHBondContact O-N 2.88Å; G55-I57 VanDerWaalsContact C-N 3.29Å; G55-I57 PolarHBondContact O-N 3.35Å; G55-L58 WeakPolarHBondContact CA-O 3.42Å; G55-L58 PolarHBondContact N-O 2.96Å; G55-D772 WeakPolarHBondContact CA-OD1 3.49Å
56	I	80.8	Confident	68	Low	68 Å²	68	90.6 Å²	90.6	35%	0.349	48%	0.483	S	S	.	.	S	Bend	trans	-65.6	-36.9	-180	-59.9	170.4	0	0	0	110.4	I151 D772	I56-I151 HydrophobicContact CD1-CG2 4.18Å; I56-D772 VanDerWaalsContact N-CG 3.33Å; I56-D772 PolarHBondContact N-OD1 3.49Å; I56-D772 PolarHBondContact N-OD2 3.11Å
57	I	83.6	Confident	69.3	Low	79 Å²	79	92 Å²	92	41%	0.405	49%	0.493	S	S	.	.	S	Bend	trans	-118.5	-46.7	-177.6	-59.4	-180	0	0	0	110.9	G55 L765 A768 V769 D772	G55-I57 VanDerWaalsContact C-N 3.29Å; G55-I57 PolarHBondContact O-N 3.35Å; I57-L765 HydrophobicContact CD1-CD1 3.92Å; I57-A768 HydrophobicContact CD1-CB 3.42Å; I57-A768 VanDerWaalsContact CD1-CB 3.42Å; I57-A768 HydrophobicContact CG1-CB 4.31Å; I57-V769 HydrophobicContact CD1-CG2 4.03Å; I57-V769 HydrophobicContact CG2-CG2 4.34Å; I57-D772 WeakPolarHBondContact CA-OD2 3.45Å; I57-D772 WeakPolarHBondContact CB-OD2 3.35Å; I57-D772 PolarHBondContact N-OD2 3.48Å
58	L	84.1	Confident	70.9	Confident	55 Å²	55	89.3 Å²	89.3	29%	0.288	49%	0.486	S	S	.	.	S	Bend	trans	-92.5	126.9	-173.4	-67.7	179.3	0	0	0	112.4	G55 V769 D772 L773 H776	G55-L58 WeakPolarHBondContact CA-O 3.42Å; G55-L58 PolarHBondContact N-O 2.96Å; L58-V769 HydrophobicContact CD1-CG1 3.97Å; L58-D772 HydrophobicContact CB-CB 4.04Å; L58-D772 HydrophobicContact CD1-CB 4.27Å; L58-D772 HydrophobicContact CG-CB 4.36Å; L58-D772 PolarHBondContact N-OD2 3.01Å; L58-L773 HydrophobicContact CD1-CD2 3.66Å; L58-L773 HydrophobicContact CD1-CG 3.83Å; L58-H776 PolarHBondContact O-NE2 3.22Å
59	P	81.6	Confident	72.8	Confident	101 Å²	101	88.8 Å²	88.8	66%	0.656	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-68.5	154.8	174.3	30.1	-34.6	0	0	0	111.6
60	I	74.9	Confident	74.6	Confident	16 Å²	16	83.5 Å²	83.5	8%	0.082	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-65.3	138.5	175.8	-56.5	171.6	0	0	0	109.7	C52 Q53 T54 Y62	C52-I60 HydrophobicContact CB-CD1 4.32Å; C52-I60 HydrophobicContact CB-CG2 4.41Å; C52-I60 WeakPolarHBondContact O-CD1 3.45Å; Q53-I60 WeakPolarHBondContact O-CG1 3.13Å; T54-I60 HydrophobicContact CG2-CD1 3.68Å; T54-I60 HydrophobicContact CG2-CG1 3.86Å; I60-Y62 HydrophobicContact CB-CE2 4.11Å; I60-Y62 WeakPolarHBondContact O-CD2 3.39Å; I60-Y62 PolarHBondContact O-N 2.88Å
61	W	78.2	Confident	75.9	Confident	116 Å²	116	83.6 Å²	83.6	44%	0.439	44%	0.444	S	S	.	.			trans	-79.2	106.2	170.4	-166.2	-23.8	0	0	0	110.4	R74 V77 Y78	W61-R74 HydrophobicContact CD2-CG 4.17Å; W61-R74 HydrophobicContact CE3-CG 4.19Å; W61-R74 HydrophobicContact CH2-CG 4.48Å; W61-R74 HydrophobicContact CZ2-CG 4.45Å; W61-R74 HydrophobicContact CZ3-CG 4.34Å; W61-R74 PolarHBondContact O-NH1 2.95Å; W61-V77 HydrophobicContact CH2-CG1 4.41Å; W61-V77 HydrophobicContact CZ3-CB 4.32Å; W61-V77 HydrophobicContact CZ3-CG1 3.9Å; W61-Y78 WeakPolarHBondContact CB-OH 3.42Å; W61-Y78 HydrophobicContact CE3-CE1 4.49Å; W61-Y78 HydrophobicContact CE3-CE2 4.31Å; W61-Y78 AromaticContact CE3-CZ 3.95Å
62	Y	72	Confident	77	Confident	143 Å²	143	80 Å²	80	56%	0.561	43%	0.432	S	S	*	.	S	Bend	trans	-84.6	150	177.2	-69.9	-76.6	0	0	0	113	I60 E64	I60-Y62 HydrophobicContact CB-CE2 4.11Å; I60-Y62 WeakPolarHBondContact O-CD2 3.39Å; I60-Y62 PolarHBondContact O-N 2.88Å; Y62-E64 HydrophobicContact CD1-CG 4.3Å; Y62-E64 HydrophobicContact CE1-CG 4.19Å
63	P	71.1	Confident	77.7	Confident	77 Å²	77	81 Å²	81	50%	0.5	44%	0.442	S	S	.	.			cis	-76.2	155.2	-2.1	29	-37.2	0	0	0	114	P66 R74	P63-P66 WeakPolarHBondContact O-CD 3.39Å; P63-R74 PolarHBondContact O-NH1 3.39Å
64	E	63.2	Low	78.5	Confident	95 Å²	95	74.8 Å²	74.8	44%	0.444	41%	0.413	S	S	.	.	S	Bend	trans	-68.9	-28.1	179.1	-72.5	174.1	-166.3	0	0	113.4	Y62 P66	Y62-E64 HydrophobicContact CD1-CG 4.3Å; Y62-E64 HydrophobicContact CE1-CG 4.19Å; E64-P66 WeakPolarHBondContact O-CD 3.17Å
65	D	66	Low	78.9	Confident	139 Å²	139	72 Å²	72	74%	0.743	40%	0.396	S	S	*	.	S	Bend	trans	-114.5	76.7	175	-84.7	-46.7	0	0	0	112.5	K71	D65-K71 IonicContact OD1-NZ 3.7Å
66	P	74.8	Confident	79.4	Confident	16 Å²	16	75.7 Å²	75.7	10%	0.104	41%	0.41	C	S	.	.			trans	-81.4	165.2	178.9	25.5	-25.1	0	0	0	113.2	P63 E64 D70 K71	P63-P66 WeakPolarHBondContact O-CD 3.39Å; E64-P66 WeakPolarHBondContact O-CD 3.17Å; P66-D70 HydrophobicContact CB-CB 3.87Å; P66-D70 WeakPolarHBondContact CB-OD2 3.27Å; P66-K71 HydrophobicContact CB-CG 4.39Å; P66-K71 HydrophobicContact CG-CG 3.63Å; P66-K71 VanDerWaalsContact O-CE 3.22Å; P66-K71 WeakPolarHBondContact O-CE 3.4Å
67	S	80.3	Confident	79.9	Confident	85 Å²	85	75.8 Å²	75.8	59%	0.594	41%	0.414	S	S	*	.			trans	-57.9	154.5	171.7	74.3	0	0	0	0	111.3	G69 D70 K71	S67-G69 PolarHBondContact O-N 2.92Å; S67-G69 VanDerWaalsContact O-N 3.11Å; S67-D70 PolarHBondContact O-N 3.24Å; S67-K71 PolarHBondContact O-N 3.06Å
68	M	79.5	Confident	80.2	Confident	141 Å²	141	72.9 Å²	72.9	70%	0.695	40%	0.398	S	S	*	.	H	α-helix	trans	-54.7	-35.3	-177.1	-68.5	-64.3	-76.9	0	0	113.5	K71 I72	M68-K71 HydrophobicContact SD-CD 4.43Å; M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.3Å; M68-I72 PolarHBondContact O-N 2.94Å
69	G	82.4	Confident	80.4	Confident	50 Å²	50	73.1 Å²	73.1	52%	0.515	40%	0.396	S	S	.	.	H	α-helix	trans	-67.9	-40.3	176.4	0	0	0	0	0	113	S67 I72 A73	S67-G69 PolarHBondContact O-N 2.92Å; S67-G69 VanDerWaalsContact O-N 3.11Å; G69-I72 PolarHBondContact O-N 2.77Å; G69-A73 WeakPolarHBondContact O-CB 3.44Å; G69-A73 PolarHBondContact O-N 2.78Å
70	D	82.8	Confident	80.8	Confident	53 Å²	53	72.4 Å²	72.4	28%	0.283	39%	0.39	S	S	.	.	H	α-helix	trans	-72.5	-34.8	176.5	-177	27.4	0	0	0	111.2	P66 S67 A73 R74	P66-D70 HydrophobicContact CB-CB 3.87Å; P66-D70 WeakPolarHBondContact CB-OD2 3.27Å; S67-D70 PolarHBondContact O-N 3.24Å; D70-A73 PolarHBondContact O-N 3.13Å; D70-R74 WeakPolarHBondContact O-CB 3.28Å; D70-R74 VanDerWaalsContact O-CG 3.24Å; D70-R74 WeakPolarHBondContact O-CG 3.2Å; D70-R74 PolarHBondContact O-N 2.83Å; D70-R74 IonicContact OD1-CZ 3.22Å; D70-R74 IonicContact OD1-NE 3.16Å; D70-R74 PolarHBondContact OD1-NE 2.8Å; D70-R74 IonicContact OD1-NH2 3.09Å; D70-R74 IonicContact OD2-CZ 2.69Å; D70-R74 IonicContact OD2-NE 3.5Å; D70-R74 PolarHBondContact OD2-NE 3.07Å; D70-R74 IonicContact OD2-NH2 3.81Å; D70-R74 PolarHBondContact OD2-NH2 3.43Å
71	K	81.9	Confident	81.6	Confident	65 Å²	65	73.2 Å²	73.2	28%	0.283	40%	0.399	S	S	.	.	H	α-helix	trans	-56.1	-51.8	167.9	-73.6	-174.2	174.5	-174.9	0	111.5	D65 P66 S67 M68 A73 R74 V75	D65-K71 IonicContact OD1-NZ 3.7Å; P66-K71 HydrophobicContact CB-CG 4.39Å; P66-K71 HydrophobicContact CG-CG 3.63Å; P66-K71 VanDerWaalsContact O-CE 3.22Å; P66-K71 WeakPolarHBondContact O-CE 3.4Å; S67-K71 PolarHBondContact O-N 3.06Å; M68-K71 HydrophobicContact SD-CD 4.43Å; K71-A73 PolarHBondContact O-N 2.82Å; K71-R74 PolarHBondContact O-N 2.87Å; K71-V75 VanDerWaalsContact O-CG2 3.27Å; K71-V75 WeakPolarHBondContact O-CG2 3.45Å; K71-V75 PolarHBondContact O-N 3.44Å
72	I	84.8	Confident	82.2	Confident	102 Å²	102	67.9 Å²	67.9	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-62.9	-43.6	-180	-67.7	165.7	0	0	0	111.2	M68 G69 R74 V75 I76	M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.3Å; M68-I72 PolarHBondContact O-N 2.94Å; G69-I72 PolarHBondContact O-N 2.77Å; I72-R74 PolarHBondContact O-N 3.05Å; I72-V75 PolarHBondContact O-N 2.9Å; I72-I76 HydrophobicContact CG2-CD1 3.92Å; I72-I76 WeakPolarHBondContact O-CG1 3.39Å; I72-I76 PolarHBondContact O-N 2.93Å
73	A	85.8	Confident	83	Confident	48 Å²	48	65.4 Å²	65.4	40%	0.397	38%	0.375	S	S	.	.	H	α-helix	trans	-60.4	-45.6	178.2	0	0	0	0	0	111.7	G69 D70 K71 I76 V77	G69-A73 WeakPolarHBondContact O-CB 3.44Å; G69-A73 PolarHBondContact O-N 2.78Å; D70-A73 PolarHBondContact O-N 3.13Å; K71-A73 PolarHBondContact O-N 2.82Å; A73-I76 PolarHBondContact O-N 2.85Å; A73-V77 WeakPolarHBondContact O-CG2 3.15Å; A73-V77 PolarHBondContact O-N 2.74Å
74	R	86.2	Confident	84	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.026	37%	0.365	C	S	.	.	H	α-helix	trans	-63.7	-42.3	177.2	-70.5	176.4	-165.2	-162.4	8.3	112.6	W61 P63 D70 K71 I72 I76 V77 Y78	W61-R74 HydrophobicContact CD2-CG 4.17Å; W61-R74 HydrophobicContact CE3-CG 4.19Å; W61-R74 HydrophobicContact CH2-CG 4.48Å; W61-R74 HydrophobicContact CZ2-CG 4.45Å; W61-R74 HydrophobicContact CZ3-CG 4.34Å; W61-R74 PolarHBondContact O-NH1 2.95Å; P63-R74 PolarHBondContact O-NH1 3.39Å; D70-R74 WeakPolarHBondContact O-CB 3.28Å; D70-R74 VanDerWaalsContact O-CG 3.24Å; D70-R74 WeakPolarHBondContact O-CG 3.2Å; D70-R74 PolarHBondContact O-N 2.83Å; D70-R74 IonicContact OD1-CZ 3.22Å; D70-R74 IonicContact OD1-NE 3.16Å; D70-R74 PolarHBondContact OD1-NE 2.8Å; D70-R74 IonicContact OD1-NH2 3.09Å; D70-R74 IonicContact OD2-CZ 2.69Å; D70-R74 IonicContact OD2-NE 3.5Å; D70-R74 PolarHBondContact OD2-NE 3.07Å; D70-R74 IonicContact OD2-NH2 3.81Å; D70-R74 PolarHBondContact OD2-NH2 3.43Å; K71-R74 PolarHBondContact O-N 2.87Å; I72-R74 PolarHBondContact O-N 3.05Å; R74-I76 VanDerWaalsContact C-N 3.3Å; R74-I76 PolarHBondContact O-N 2.91Å; R74-V77 PolarHBondContact O-N 2.83Å; R74-Y78 HydrophobicContact CB-CD2 4.29Å; R74-Y78 HydrophobicContact CB-CE2 4.23Å; R74-Y78 WeakPolarHBondContact O-CB 3.33Å; R74-Y78 WeakPolarHBondContact O-CD2 3.38Å; R74-Y78 PolarHBondContact O-N 2.95Å
75	V	85.9	Confident	85.3	Confident	35 Å²	35	62 Å²	62	21%	0.212	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-45.1	175.8	168.1	0	0	0	0	110.8	K71 I72 F79 F777 I781	K71-V75 VanDerWaalsContact O-CG2 3.27Å; K71-V75 WeakPolarHBondContact O-CG2 3.45Å; K71-V75 PolarHBondContact O-N 3.44Å; I72-V75 PolarHBondContact O-N 2.9Å; V75-F79 WeakPolarHBondContact O-CB 3.35Å; V75-F79 PolarHBondContact O-N 2.86Å; V75-F777 HydrophobicContact CG1-CD2 4.42Å; V75-F777 HydrophobicContact CG1-CE2 3.86Å; V75-I781 HydrophobicContact CB-CG1 4.49Å; V75-I781 HydrophobicContact CG1-CD1 3.87Å; V75-I781 HydrophobicContact CG1-CG1 4.04Å; V75-I781 HydrophobicContact CG2-CD1 4.31Å; V75-I781 HydrophobicContact CG2-CG1 3.58Å
76	I	88.4	Confident	86.4	Confident	98 Å²	98	56.3 Å²	56.3	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.4	-66.9	166.7	0	0	0	110.7	I72 A73 R74 F79 V80	I72-I76 HydrophobicContact CG2-CD1 3.92Å; I72-I76 WeakPolarHBondContact O-CG1 3.39Å; I72-I76 PolarHBondContact O-N 2.93Å; A73-I76 PolarHBondContact O-N 2.85Å; R74-I76 VanDerWaalsContact C-N 3.3Å; R74-I76 PolarHBondContact O-N 2.91Å; I76-F79 PolarHBondContact O-N 3.18Å; I76-V80 HydrophobicContact CG2-CG2 4.23Å; I76-V80 WeakPolarHBondContact O-CB 3.41Å; I76-V80 VanDerWaalsContact O-CG2 3.25Å; I76-V80 WeakPolarHBondContact O-CG2 3.26Å; I76-V80 PolarHBondContact O-N 3.13Å
77	V	90.8	Very high	87	Confident	71 Å²	71	57.4 Å²	57.4	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-49	179.6	172.7	0	0	0	0	111.2	W61 A73 R74 F79 V80 A81	W61-V77 HydrophobicContact CH2-CG1 4.41Å; W61-V77 HydrophobicContact CZ3-CB 4.32Å; W61-V77 HydrophobicContact CZ3-CG1 3.9Å; A73-V77 WeakPolarHBondContact O-CG2 3.15Å; A73-V77 PolarHBondContact O-N 2.74Å; R74-V77 PolarHBondContact O-N 2.83Å; V77-F79 VanDerWaalsContact C-N 3.34Å; V77-F79 PolarHBondContact O-N 3.03Å; V77-V80 PolarHBondContact O-N 3.34Å; V77-A81 WeakPolarHBondContact O-CB 3.46Å; V77-A81 PolarHBondContact O-N 3.35Å
78	Y	90	Very high	87.5	Confident	18 Å²	18	53.4 Å²	53.4	7%	0.071	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-40.5	177.9	-73.8	-54.1	0	0	0	112	W61 R74 A81 M82 L773 H776 T780	W61-Y78 WeakPolarHBondContact CB-OH 3.42Å; W61-Y78 HydrophobicContact CE3-CE1 4.49Å; W61-Y78 HydrophobicContact CE3-CE2 4.31Å; W61-Y78 AromaticContact CE3-CZ 3.95Å; R74-Y78 HydrophobicContact CB-CD2 4.29Å; R74-Y78 HydrophobicContact CB-CE2 4.23Å; R74-Y78 WeakPolarHBondContact O-CB 3.33Å; R74-Y78 WeakPolarHBondContact O-CD2 3.38Å; R74-Y78 PolarHBondContact O-N 2.95Å; Y78-A81 PolarHBondContact O-N 3.12Å; Y78-M82 WeakPolarHBondContact O-CB 3.46Å; Y78-M82 PolarHBondContact O-N 3.21Å; Y78-L773 HydrophobicContact CD1-CD2 3.8Å; Y78-L773 HydrophobicContact CE1-CD2 4.22Å; Y78-H776 HydrophobicContact CD1-CB 4.29Å; Y78-H776 HydrophobicContact CE1-CB 3.82Å; Y78-H776 HydrophobicContact CE2-CB 4.13Å; Y78-T780 HydrophobicContact CD2-CG2 4.27Å; Y78-T780 HydrophobicContact CE2-CG2 3.92Å
79	F	88.5	Confident	88	Confident	59 Å²	59	47 Å²	47	26%	0.259	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-47	177.5	-173.6	-108.2	0	0	0	112.5	V75 I76 V77 M82 I83 F777 F792	V75-F79 WeakPolarHBondContact O-CB 3.35Å; V75-F79 PolarHBondContact O-N 2.86Å; I76-F79 PolarHBondContact O-N 3.18Å; V77-F79 VanDerWaalsContact C-N 3.34Å; V77-F79 PolarHBondContact O-N 3.03Å; F79-M82 HydrophobicContact CD2-CE 3.89Å; F79-M82 HydrophobicContact CE2-CE 4.2Å; F79-M82 PolarHBondContact O-N 3.03Å; F79-I83 HydrophobicContact CD1-CD1 3.84Å; F79-I83 HydrophobicContact CE1-CD1 3.36Å; F79-I83 HydrophobicContact CE1-CG1 4.48Å; F79-I83 HydrophobicContact CE2-CD1 4.3Å; F79-I83 HydrophobicContact CG-CD1 4.5Å; F79-I83 HydrophobicContact CZ-CD1 3.63Å; F79-I83 HydrophobicContact CZ-CG1 4.49Å; F79-I83 WeakPolarHBondContact O-CG1 2.96Å; F79-I83 PolarHBondContact O-N 2.83Å; F79-F777 HydrophobicContact CB-CD2 4.25Å; F79-F777 HydrophobicContact CB-CE2 3.82Å; F79-F777 AromaticContact CD2-CE2 3.9Å; F79-F777 HydrophobicContact CD2-CE2 3.9Å; F79-F777 AromaticContact CD2-CZ 3.97Å; F79-F777 HydrophobicContact CD2-CZ 3.97Å; F79-F777 HydrophobicContact CG-CE2 4.29Å; F79-F792 HydrophobicContact CE2-CD1 4.26Å; F79-F792 HydrophobicContact CE2-CE1 4.2Å
80	V	90	Very high	88.1	Confident	87 Å²	87	45.1 Å²	45.1	53%	0.527	24%	0.242	S	C	.	.	H	α-helix	trans	-65.2	-42.5	177.3	171.6	0	0	0	0	110.7	I76 V77 M82 I83 Y84	I76-V80 HydrophobicContact CG2-CG2 4.23Å; I76-V80 WeakPolarHBondContact O-CB 3.41Å; I76-V80 VanDerWaalsContact O-CG2 3.25Å; I76-V80 WeakPolarHBondContact O-CG2 3.26Å; I76-V80 PolarHBondContact O-N 3.13Å; V77-V80 PolarHBondContact O-N 3.34Å; V80-M82 PolarHBondContact O-N 2.8Å; V80-I83 PolarHBondContact O-N 2.89Å; V80-Y84 WeakPolarHBondContact O-CB 3.46Å; V80-Y84 PolarHBondContact O-N 2.99Å
81	A	91.4	Very high	88.4	Confident	32 Å²	32	43.3 Å²	43.3	26%	0.264	23%	0.233	S	C	.	.	H	α-helix	trans	-61	-44.4	175.4	0	0	0	0	0	111.3	V77 Y78 Y84 M85 L773	V77-A81 WeakPolarHBondContact O-CB 3.46Å; V77-A81 PolarHBondContact O-N 3.35Å; Y78-A81 PolarHBondContact O-N 3.12Å; A81-Y84 PolarHBondContact O-N 3.38Å; A81-M85 WeakPolarHBondContact O-CB 2.85Å; A81-M85 VanDerWaalsContact O-CG 3.23Å; A81-M85 WeakPolarHBondContact O-CG 3.4Å; A81-M85 PolarHBondContact O-N 3.07Å; A81-L773 HydrophobicContact CB-CD1 4.16Å; A81-L773 HydrophobicContact CB-CD2 4.27Å
82	M	89.8	Confident	88.8	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-46.1	177.7	-176.7	-178.2	66.4	0	0	111.8	Y78 F79 V80 Y84 M85 F86 A774 F792	Y78-M82 WeakPolarHBondContact O-CB 3.46Å; Y78-M82 PolarHBondContact O-N 3.21Å; F79-M82 HydrophobicContact CD2-CE 3.89Å; F79-M82 HydrophobicContact CE2-CE 4.2Å; F79-M82 PolarHBondContact O-N 3.03Å; V80-M82 PolarHBondContact O-N 2.8Å; M82-Y84 VanDerWaalsContact C-N 3.34Å; M82-Y84 PolarHBondContact O-N 3Å; M82-M85 PolarHBondContact O-N 3.28Å; M82-F86 HydrophobicContact CE-CE2 4.48Å; M82-F86 HydrophobicContact CG-CD2 3.94Å; M82-F86 HydrophobicContact CG-CE2 3.42Å; M82-F86 VanDerWaalsContact CG-CE2 3.42Å; M82-F86 HydrophobicContact CG-CZ 4.19Å; M82-F86 WeakPolarHBondContact O-CD2 3.49Å; M82-F86 PolarHBondContact O-N 3.06Å; M82-F86 HydrophobicContact SD-CE2 3.98Å; M82-A774 HydrophobicContact SD-CB 4.49Å; M82-F792 HydrophobicContact CE-CB 3.94Å; M82-F792 HydrophobicContact CE-CD1 4.41Å; M82-F792 HydrophobicContact CE-CG 4.39Å; M82-F792 HydrophobicContact SD-CB 4.37Å
83	I	88.9	Confident	88.8	Confident	92 Å²	92	35.4 Å²	35.4	47%	0.472	19%	0.194	S	C	.	.	H	α-helix	trans	-60.1	-44.3	174.4	-70.2	172.5	0	0	0	111.1	F79 V80 M85 F86 L87	F79-I83 HydrophobicContact CD1-CD1 3.84Å; F79-I83 HydrophobicContact CE1-CD1 3.36Å; F79-I83 HydrophobicContact CE1-CG1 4.48Å; F79-I83 HydrophobicContact CE2-CD1 4.3Å; F79-I83 HydrophobicContact CG-CD1 4.5Å; F79-I83 HydrophobicContact CZ-CD1 3.63Å; F79-I83 HydrophobicContact CZ-CG1 4.49Å; F79-I83 WeakPolarHBondContact O-CG1 2.96Å; F79-I83 PolarHBondContact O-N 2.83Å; V80-I83 PolarHBondContact O-N 2.89Å; I83-M85 VanDerWaalsContact C-N 3.3Å; I83-M85 PolarHBondContact O-N 3.24Å; I83-F86 PolarHBondContact O-N 2.8Å; I83-L87 PolarHBondContact O-N 3.29Å
84	Y	91.7	Very high	88.6	Confident	79 Å²	79	33.5 Å²	33.5	31%	0.31	18%	0.178	S	C	.	.	H	α-helix	trans	-63.5	-36.7	179.3	-173.4	-109.1	0	0	0	112.5	V80 A81 M82 L87 G88 L733 F736 W737	V80-Y84 WeakPolarHBondContact O-CB 3.46Å; V80-Y84 PolarHBondContact O-N 2.99Å; A81-Y84 PolarHBondContact O-N 3.38Å; M82-Y84 VanDerWaalsContact C-N 3.34Å; M82-Y84 PolarHBondContact O-N 3Å; Y84-L87 WeakPolarHBondContact O-CB 3.42Å; Y84-L87 PolarHBondContact O-N 3.03Å; Y84-G88 PolarHBondContact O-N 2.76Å; Y84-L733 WeakPolarHBondContact CE2-O 3.21Å; Y84-F736 HydrophobicContact CE1-CD1 4.38Å; Y84-F736 WeakPolarHBondContact OH-CB 3.43Å; Y84-F736 VanDerWaalsContact OH-CD1 3.3Å; Y84-F736 WeakPolarHBondContact OH-CD1 3.24Å; Y84-W737 AromaticContact CD1-CZ2 3.93Å; Y84-W737 HydrophobicContact CD1-CZ2 3.93Å; Y84-W737 AromaticContact CD1-NE1 3.73Å; Y84-W737 AromaticContact CE1-CE2 3.64Å; Y84-W737 AromaticContact CE1-CZ2 3.67Å; Y84-W737 HydrophobicContact CE1-CZ2 3.67Å; Y84-W737 AromaticContact CE1-NE1 3.3Å; Y84-W737 VanDerWaalsContact CE1-NE1 3.3Å; Y84-W737 AromaticContact CE2-NE1 3.65Å; Y84-W737 AromaticContact CZ-CD1 3.85Å; Y84-W737 AromaticContact CZ-CE2 3.98Å; Y84-W737 AromaticContact CZ-NE1 3.26Å; Y84-W737 VanDerWaalsContact CZ-NE1 3.26Å; Y84-W737 PolarHBondContact O-NE1 2.78Å
85	M	91.5	Very high	88.6	Confident	21 Å²	21	35.3 Å²	35.3	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-70.8	-38.2	174.8	-68.7	-61.8	-63.9	0	0	112.2	A81 M82 I83 L87 G88 V89 W737 L766 V769 I770 L773	A81-M85 WeakPolarHBondContact O-CB 2.85Å; A81-M85 VanDerWaalsContact O-CG 3.23Å; A81-M85 WeakPolarHBondContact O-CG 3.4Å; A81-M85 PolarHBondContact O-N 3.07Å; M82-M85 PolarHBondContact O-N 3.28Å; I83-M85 VanDerWaalsContact C-N 3.3Å; I83-M85 PolarHBondContact O-N 3.24Å; M85-L87 VanDerWaalsContact C-N 3.29Å; M85-L87 PolarHBondContact O-N 3.15Å; M85-G88 WeakPolarHBondContact O-CA 3.34Å; M85-G88 PolarHBondContact O-N 2.91Å; M85-G88 VanDerWaalsContact O-N 3.12Å; M85-V89 PolarHBondContact O-N 3.39Å; M85-W737 HydrophobicContact CE-CH2 4.18Å; M85-W737 HydrophobicContact SD-CH2 3.7Å; M85-W737 HydrophobicContact SD-CZ2 3.65Å; M85-L766 HydrophobicContact CE-CB 4.16Å; M85-L766 HydrophobicContact CE-CD2 3.42Å; M85-L766 VanDerWaalsContact CE-CD2 3.42Å; M85-L766 HydrophobicContact CE-CG 4.37Å; M85-V769 HydrophobicContact CE-CB 3.87Å; M85-V769 HydrophobicContact CE-CG1 3.66Å; M85-V769 HydrophobicContact SD-CG1 4.4Å; M85-I770 HydrophobicContact CB-CD1 4.03Å; M85-I770 HydrophobicContact CB-CG1 3.6Å; M85-L773 HydrophobicContact CB-CD1 4.49Å; M85-L773 HydrophobicContact CG-CD1 3.73Å
86	F	89.6	Confident	88.7	Confident	19 Å²	19	33.7 Å²	33.7	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-36.4	172.9	-76.8	-52.4	0	0	0	112.6	M82 I83 G88 V89 S90 I770 V793 T797	M82-F86 HydrophobicContact CE-CE2 4.48Å; M82-F86 HydrophobicContact CG-CD2 3.94Å; M82-F86 HydrophobicContact CG-CE2 3.42Å; M82-F86 VanDerWaalsContact CG-CE2 3.42Å; M82-F86 HydrophobicContact CG-CZ 4.19Å; M82-F86 WeakPolarHBondContact O-CD2 3.49Å; M82-F86 PolarHBondContact O-N 3.06Å; M82-F86 HydrophobicContact SD-CE2 3.98Å; I83-F86 PolarHBondContact O-N 2.8Å; F86-G88 VanDerWaalsContact C-N 3.34Å; F86-V89 PolarHBondContact O-N 2.77Å; F86-S90 WeakPolarHBondContact O-CB 3.22Å; F86-S90 PolarHBondContact O-N 2.89Å; F86-S90 PolarHBondContact O-OG 2.82Å; F86-I770 HydrophobicContact CD1-CD1 3.82Å; F86-I770 HydrophobicContact CE1-CD1 3.89Å; F86-I770 HydrophobicContact CE1-CG2 3.62Å; F86-I770 HydrophobicContact CE2-CG2 4.45Å; F86-I770 HydrophobicContact CZ-CG2 3.55Å; F86-V793 HydrophobicContact CZ-CG1 4.31Å; F86-T797 HydrophobicContact CE1-CG2 3.85Å
87	L	87.9	Confident	88.6	Confident	40 Å²	40	29 Å²	29	21%	0.209	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-44.2	171.8	-174	66.6	0	0	0	111	I83 Y84 M85 S90 I91 T734	I83-L87 PolarHBondContact O-N 3.29Å; Y84-L87 WeakPolarHBondContact O-CB 3.42Å; Y84-L87 PolarHBondContact O-N 3.03Å; M85-L87 VanDerWaalsContact C-N 3.29Å; M85-L87 PolarHBondContact O-N 3.15Å; L87-S90 WeakPolarHBondContact O-CB 3.27Å; L87-S90 PolarHBondContact O-N 3.35Å; L87-I91 HydrophobicContact CG-CD1 4.46Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 2.86Å; L87-T734 HydrophobicContact CD1-CG2 3.98Å; L87-T734 HydrophobicContact CD2-CG2 3.56Å; L87-T734 HydrophobicContact CG-CG2 3.91Å
88	G	90.3	Very high	88.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58	-51.6	172.8	0	0	0	0	0	112.6	Y84 M85 F86 S90 I91 I92 F741	Y84-G88 PolarHBondContact O-N 2.76Å; M85-G88 WeakPolarHBondContact O-CA 3.34Å; M85-G88 PolarHBondContact O-N 2.91Å; M85-G88 VanDerWaalsContact O-N 3.12Å; F86-G88 VanDerWaalsContact C-N 3.34Å; G88-S90 VanDerWaalsContact C-N 3.27Å; G88-S90 PolarHBondContact O-N 3.24Å; G88-I91 PolarHBondContact O-N 2.78Å; G88-I92 WeakPolarHBondContact O-CG2 3.34Å; G88-I92 PolarHBondContact O-N 3.09Å; G88-I92 VanDerWaalsContact O-N 3.11Å; G88-F741 WeakPolarHBondContact O-CE2 3.45Å
89	V	88.9	Confident	88.3	Confident	6 Å²	6	25 Å²	25	4%	0.036	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-39.6	177.2	170.8	0	0	0	0	111.9	M85 F86 I91 I92 A93 P144 L766 T767 I770	M85-V89 PolarHBondContact O-N 3.39Å; F86-V89 PolarHBondContact O-N 2.77Å; V89-I91 PolarHBondContact O-N 2.96Å; V89-I92 VanDerWaalsContact O-CG2 3.32Å; V89-I92 WeakPolarHBondContact O-CG2 3.3Å; V89-A93 WeakPolarHBondContact O-CB 3.48Å; V89-A93 PolarHBondContact O-N 3.13Å; V89-P144 HydrophobicContact CG1-CB 4.05Å; V89-P144 HydrophobicContact CG1-CG 3.64Å; V89-L766 HydrophobicContact CG2-CB 3.6Å; V89-L766 HydrophobicContact CG2-CD1 4.1Å; V89-T767 HydrophobicContact CG2-CG2 4.48Å; V89-I770 HydrophobicContact CB-CD1 4.36Å; V89-I770 HydrophobicContact CG2-CD1 3.43Å; V89-I770 VanDerWaalsContact CG2-CD1 3.43Å
90	S	85.5	Confident	88.1	Confident	11 Å²	11	22.1 Å²	22.1	8%	0.077	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-45	178.2	-57.1	0	0	0	0	111.9	F86 L87 G88 A93 D94 P800	F86-S90 WeakPolarHBondContact O-CB 3.22Å; F86-S90 PolarHBondContact O-N 2.89Å; F86-S90 PolarHBondContact O-OG 2.82Å; L87-S90 WeakPolarHBondContact O-CB 3.27Å; L87-S90 PolarHBondContact O-N 3.35Å; G88-S90 VanDerWaalsContact C-N 3.27Å; G88-S90 PolarHBondContact O-N 3.24Å; S90-A93 PolarHBondContact O-N 3.01Å; S90-D94 PolarHBondContact O-N 2.89Å; S90-P800 VanDerWaalsContact OG-CG 3.24Å; S90-P800 WeakPolarHBondContact OG-CG 3.13Å
91	I	88	Confident	87.8	Confident	16 Å²	16	18.8 Å²	18.8	8%	0.082	9%	0.094	C	C	.	.	H	α-helix	trans	-68.2	-45	-178.8	-61.1	164.1	0	0	0	111.4	L87 G88 V89 A93 D94 T362 T366 T734 W737 F741	L87-I91 HydrophobicContact CG-CD1 4.46Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 2.86Å; G88-I91 PolarHBondContact O-N 2.78Å; V89-I91 PolarHBondContact O-N 2.96Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 3.38Å; I91-D94 WeakPolarHBondContact O-CB 3.47Å; I91-D94 PolarHBondContact O-N 3.5Å; I91-T362 HydrophobicContact CG1-CG2 4.44Å; I91-T366 HydrophobicContact CD1-CG2 4.22Å; I91-T366 HydrophobicContact CG1-CG2 4.04Å; I91-T734 HydrophobicContact CD1-CG2 4.11Å; I91-W737 HydrophobicContact CD1-CB 3.71Å; I91-W737 HydrophobicContact CD1-CG 4.42Å; I91-F741 HydrophobicContact CB-CD2 4.05Å; I91-F741 HydrophobicContact CB-CE2 4.15Å; I91-F741 HydrophobicContact CG2-CD2 3.75Å; I91-F741 HydrophobicContact CG2-CE2 4.35Å
92	I	90.2	Very high	87.5	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.5	-32.3	178.7	-173.4	64.2	0	0	0	111.7	G88 V89 D94 R95 F96 F741 V744 I762 I763 L766	G88-I92 WeakPolarHBondContact O-CG2 3.34Å; G88-I92 PolarHBondContact O-N 3.09Å; G88-I92 VanDerWaalsContact O-N 3.11Å; V89-I92 VanDerWaalsContact O-CG2 3.32Å; V89-I92 WeakPolarHBondContact O-CG2 3.3Å; I92-D94 PolarHBondContact O-N 3.45Å; I92-R95 HydrophobicContact CD1-CB 4.36Å; I92-R95 PolarHBondContact O-N 2.69Å; I92-R95 VanDerWaalsContact O-N 3.16Å; I92-F96 PolarHBondContact O-N 3.49Å; I92-F741 HydrophobicContact CB-CD1 4.31Å; I92-F741 HydrophobicContact CB-CD2 3.97Å; I92-F741 HydrophobicContact CB-CE1 4.21Å; I92-F741 HydrophobicContact CB-CE2 3.85Å; I92-F741 HydrophobicContact CB-CG 4.21Å; I92-F741 HydrophobicContact CB-CZ 3.98Å; I92-F741 HydrophobicContact CD1-CB 4.26Å; I92-F741 HydrophobicContact CD1-CD1 3.99Å; I92-F741 HydrophobicContact CD1-CG 4.03Å; I92-F741 HydrophobicContact CG1-CD1 4.47Å; I92-F741 HydrophobicContact CG2-CE2 4.37Å; I92-F741 HydrophobicContact CG2-CZ 4.29Å; I92-V744 HydrophobicContact CD1-CG2 3.73Å; I92-I762 HydrophobicContact CD1-CB 4.43Å; I92-I762 HydrophobicContact CD1-CD1 4.29Å; I92-I762 HydrophobicContact CD1-CG2 4.3Å; I92-I762 HydrophobicContact CG1-CB 4.14Å; I92-I762 HydrophobicContact CG1-CG2 3.9Å; I92-I763 HydrophobicContact CB-CG1 4.4Å; I92-I763 HydrophobicContact CG1-CG1 4.02Å; I92-I763 HydrophobicContact CG2-CG1 3.58Å; I92-L766 HydrophobicContact CG2-CD1 3.85Å
93	A	85.7	Confident	87.3	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-28.2	175.4	0	0	0	0	0	112	V89 S90 I91 F96 M97 R358	V89-A93 WeakPolarHBondContact O-CB 3.48Å; V89-A93 PolarHBondContact O-N 3.13Å; S90-A93 PolarHBondContact O-N 3.01Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 3.38Å; A93-F96 WeakPolarHBondContact O-CB 3.12Å; A93-F96 PolarHBondContact O-N 3.18Å; A93-M97 VanDerWaalsContact O-CG 3.22Å; A93-M97 WeakPolarHBondContact O-CG 3.4Å; A93-M97 PolarHBondContact O-N 2.68Å; A93-R358 VanDerWaalsContact CB-NH2 3.32Å
94	D	82.1	Confident	87	Confident	9 Å²	9	14 Å²	14	5%	0.048	7%	0.067	C	C	.	.	H	α-helix	trans	-67.7	-42.1	171.8	-61.7	-29.9	0	0	0	112.6	S90 I91 I92 F96 M97 A98 I359 T362	S90-D94 PolarHBondContact O-N 2.89Å; I91-D94 WeakPolarHBondContact O-CB 3.47Å; I91-D94 PolarHBondContact O-N 3.5Å; I92-D94 PolarHBondContact O-N 3.45Å; D94-F96 VanDerWaalsContact C-N 3.25Å; D94-F96 PolarHBondContact O-N 3.33Å; D94-M97 PolarHBondContact O-N 3.03Å; D94-A98 WeakPolarHBondContact O-CB 3.46Å; D94-A98 PolarHBondContact O-N 3.39Å; D94-I359 HydrophobicContact CB-CG1 4.09Å; D94-T362 VanDerWaalsContact CG-CB 3.47Å; D94-T362 WeakPolarHBondContact OD1-CB 3.45Å; D94-T362 PolarHBondContact OD1-OG1 3.43Å; D94-T362 WeakPolarHBondContact OD2-CB 3.02Å; D94-T362 WeakPolarHBondContact OD2-CG2 3.38Å; D94-T362 PolarHBondContact OD2-OG1 2.97Å; D94-T362 VanDerWaalsContact OD2-OG1 3.12Å
95	R	86.2	Confident	86.4	Confident	45 Å²	45	11.3 Å²	11.3	17%	0.17	6%	0.059	C	C	.	.	H	α-helix	trans	-63.3	-38.2	175.9	-67.7	-68.8	122.3	143.9	-0.5	110.6	I92 A98 A99 E704	I92-R95 HydrophobicContact CD1-CB 4.36Å; I92-R95 PolarHBondContact O-N 2.69Å; I92-R95 VanDerWaalsContact O-N 3.16Å; R95-A98 PolarHBondContact O-N 3.34Å; R95-A99 PolarHBondContact O-N 3.37Å; R95-E704 IonicContact CZ-OE2 3.19Å; R95-E704 IonicContact NH1-OE2 2.9Å; R95-E704 IonicContact NH2-OE2 2.76Å; R95-E704 PolarHBondContact NH2-OE2 3.16Å; R95-E704 VanDerWaalsContact NH2-OE2 3.09Å
96	F	88.2	Confident	85.8	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-44.4	171.5	-176.3	-124.8	0	0	0	112.5	I92 A93 D94 A99 I100 L139 A143 F756 I760 I763	I92-F96 PolarHBondContact O-N 3.49Å; A93-F96 WeakPolarHBondContact O-CB 3.12Å; A93-F96 PolarHBondContact O-N 3.18Å; D94-F96 VanDerWaalsContact C-N 3.25Å; D94-F96 PolarHBondContact O-N 3.33Å; F96-A99 WeakPolarHBondContact O-CB 3.39Å; F96-A99 PolarHBondContact O-N 2.76Å; F96-I100 HydrophobicContact CD1-CD1 4Å; F96-I100 HydrophobicContact CE1-CD1 3.79Å; F96-I100 HydrophobicContact CE2-CD1 4.37Å; F96-I100 HydrophobicContact CG-CD1 4.4Å; F96-I100 HydrophobicContact CZ-CD1 3.96Å; F96-I100 WeakPolarHBondContact O-CG1 3.24Å; F96-I100 PolarHBondContact O-N 3.14Å; F96-I100 VanDerWaalsContact O-N 3.09Å; F96-L139 HydrophobicContact CE1-CD2 3.9Å; F96-L139 HydrophobicContact CZ-CD2 3.6Å; F96-A143 HydrophobicContact CD1-CB 4.22Å; F96-A143 HydrophobicContact CE1-CB 3.66Å; F96-A143 HydrophobicContact CZ-CB 4.44Å; F96-F756 HydrophobicContact CD2-CD2 4.01Å; F96-F756 HydrophobicContact CD2-CE2 4.28Å; F96-F756 HydrophobicContact CD2-CG 4.47Å; F96-F756 HydrophobicContact CE2-CD1 4.29Å; F96-F756 AromaticContact CE2-CD2 3.36Å; F96-F756 HydrophobicContact CE2-CD2 3.36Å; F96-F756 HydrophobicContact CE2-CE1 4.2Å; F96-F756 AromaticContact CE2-CE2 3.25Å; F96-F756 HydrophobicContact CE2-CE2 3.25Å; F96-F756 AromaticContact CE2-CG 3.89Å; F96-F756 HydrophobicContact CE2-CG 3.89Å; F96-F756 AromaticContact CE2-CZ 3.7Å; F96-F756 HydrophobicContact CE2-CZ 3.7Å; F96-F756 HydrophobicContact CZ-CD2 4.11Å; F96-F756 AromaticContact CZ-CE2 3.53Å; F96-F756 HydrophobicContact CZ-CE2 3.53Å; F96-F756 AromaticContact CZ-CZ 3.85Å; F96-F756 HydrophobicContact CZ-CZ 3.85Å; F96-I760 HydrophobicContact CE2-CB 4.04Å; F96-I760 HydrophobicContact CE2-CD1 4.48Å; F96-I760 HydrophobicContact CE2-CG1 4.48Å; F96-I760 HydrophobicContact CZ-CD1 4.3Å; F96-I763 HydrophobicContact CB-CD1 3.83Å; F96-I763 HydrophobicContact CD1-CD1 4.04Å; F96-I763 HydrophobicContact CG-CD1 3.95Å
97	M	85.3	Confident	85.3	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.1	-37.4	175.6	-70.4	-67.5	-61	0	0	112.7	A93 D94 A99 I100 E101 G140 A355 R358 I359	A93-M97 VanDerWaalsContact O-CG 3.22Å; A93-M97 WeakPolarHBondContact O-CG 3.4Å; A93-M97 PolarHBondContact O-N 2.68Å; D94-M97 PolarHBondContact O-N 3.03Å; M97-A99 VanDerWaalsContact C-N 3.32Å; M97-A99 PolarHBondContact O-N 3.04Å; M97-I100 PolarHBondContact O-N 3.24Å; M97-I100 HydrophobicContact SD-CD1 4.2Å; M97-E101 PolarHBondContact O-N 2.69Å; M97-G140 WeakPolarHBondContact SD-CA 2.92Å; M97-A355 HydrophobicContact CB-CB 4.2Å; M97-A355 HydrophobicContact CE-CB 3.88Å; M97-R358 VanDerWaalsContact CG-NH1 3.27Å; M97-R358 PolarHBondContact SD-NH1 3.08Å; M97-R358 VanDerWaalsContact SD-NH1 3.4Å; M97-I359 HydrophobicContact CB-CD1 4.45Å
98	A	85.1	Confident	84.8	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-41.2	175.3	0	0	0	0	0	111.1	D94 R95 E101 V102 I359 V693 T747	D94-A98 WeakPolarHBondContact O-CB 3.46Å; D94-A98 PolarHBondContact O-N 3.39Å; R95-A98 PolarHBondContact O-N 3.34Å; A98-E101 PolarHBondContact O-N 2.85Å; A98-V102 WeakPolarHBondContact O-CG2 3.22Å; A98-V102 PolarHBondContact O-N 2.59Å; A98-V102 VanDerWaalsContact O-N 3.08Å; A98-I359 HydrophobicContact CB-CD1 3.78Å; A98-V693 HydrophobicContact CB-CG1 4.02Å; A98-T747 HydrophobicContact CB-CG2 4.1Å
99	A	88.7	Confident	84.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-43.4	173.5	0	0	0	0	0	112.3	R95 F96 M97 E101 V102 I103 C755 F756	R95-A99 PolarHBondContact O-N 3.37Å; F96-A99 WeakPolarHBondContact O-CB 3.39Å; F96-A99 PolarHBondContact O-N 2.76Å; M97-A99 VanDerWaalsContact C-N 3.32Å; M97-A99 PolarHBondContact O-N 3.04Å; A99-E101 VanDerWaalsContact C-N 3.32Å; A99-E101 PolarHBondContact O-N 3.29Å; A99-V102 PolarHBondContact O-N 3.15Å; A99-I103 WeakPolarHBondContact O-CD1 3.39Å; A99-I103 WeakPolarHBondContact O-CG1 3.48Å; A99-I103 PolarHBondContact O-N 3.4Å; A99-C755 HydrophobicContact CB-CB 3.85Å; A99-F756 HydrophobicContact CB-CB 4.13Å
100	I	85	Confident	83.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-41.9	175.8	-70.7	159.7	0	0	0	111.1	F96 M97 I103 T104 L136 M137 G140 F756	F96-I100 HydrophobicContact CD1-CD1 4Å; F96-I100 HydrophobicContact CE1-CD1 3.79Å; F96-I100 HydrophobicContact CE2-CD1 4.37Å; F96-I100 HydrophobicContact CG-CD1 4.4Å; F96-I100 HydrophobicContact CZ-CD1 3.96Å; F96-I100 WeakPolarHBondContact O-CG1 3.24Å; F96-I100 PolarHBondContact O-N 3.14Å; F96-I100 VanDerWaalsContact O-N 3.09Å; M97-I100 PolarHBondContact O-N 3.24Å; M97-I100 HydrophobicContact SD-CD1 4.2Å; I100-I103 PolarHBondContact O-N 2.79Å; I100-T104 HydrophobicContact CG2-CG2 4.11Å; I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 WeakPolarHBondContact O-CG2 3.33Å; I100-T104 PolarHBondContact O-N 3.17Å; I100-T104 PolarHBondContact O-OG1 2.8Å; I100-L136 WeakPolarHBondContact CD1-O 3.24Å; I100-L136 HydrophobicContact CG2-CB 3.7Å; I100-M137 HydrophobicContact CG2-CG 4.03Å; I100-G140 VanDerWaalsContact CD1-CA 3.47Å; I100-F756 HydrophobicContact CD1-CE2 4.26Å; I100-F756 HydrophobicContact CG1-CD2 3.9Å; I100-F756 HydrophobicContact CG1-CE2 3.81Å
101	E	83.4	Confident	82.9	Confident	16 Å²	16	35.5 Å²	35.5	8%	0.075	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-46.2	178.3	-170.4	67	-179.2	0	0	111.5	M97 A98 A99 I103 T104 S105 M137 S353 A355 V693	M97-E101 PolarHBondContact O-N 2.69Å; A98-E101 PolarHBondContact O-N 2.85Å; A99-E101 VanDerWaalsContact C-N 3.32Å; A99-E101 PolarHBondContact O-N 3.29Å; E101-I103 VanDerWaalsContact C-N 3.35Å; E101-I103 PolarHBondContact O-N 3.13Å; E101-T104 PolarHBondContact O-N 2.91Å; E101-T104 PolarHBondContact O-OG1 2.97Å; E101-S105 VanDerWaalsContact O-CB 3.24Å; E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 2.81Å; E101-S105 PolarHBondContact O-OG 3.12Å; E101-M137 VanDerWaalsContact OE2-CE 3.25Å; E101-M137 WeakPolarHBondContact OE2-CE 3.37Å; E101-S353 WeakPolarHBondContact OE1-CB 3.37Å; E101-S353 PolarHBondContact OE1-OG 3.09Å; E101-S353 VanDerWaalsContact OE2-CB 3.3Å; E101-S353 WeakPolarHBondContact OE2-CB 3.41Å; E101-S353 PolarHBondContact OE2-OG 2.89Å; E101-S353 VanDerWaalsContact OE2-OG 3.05Å; E101-A355 HydrophobicContact CB-CB 3.9Å; E101-A355 HydrophobicContact CG-CB 4.31Å; E101-A355 WeakPolarHBondContact OE2-CB 3.39Å; E101-V693 HydrophobicContact CB-CG1 4.32Å; E101-V693 HydrophobicContact CG-CB 4.43Å; E101-V693 HydrophobicContact CG-CG1 4.34Å
102	V	84.7	Confident	82.3	Confident	20 Å²	20	38.7 Å²	38.7	12%	0.121	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-38	177	174	0	0	0	0	111.8	A98 A99 S105 Q106	A98-V102 WeakPolarHBondContact O-CG2 3.22Å; A98-V102 PolarHBondContact O-N 2.59Å; A98-V102 VanDerWaalsContact O-N 3.08Å; A99-V102 PolarHBondContact O-N 3.15Å; V102-S105 WeakPolarHBondContact CA-OG 3.45Å; V102-S105 PolarHBondContact O-OG 2.98Å; V102-Q106 WeakPolarHBondContact O-CG 3.12Å
103	I	86.3	Confident	81.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66	-40.5	176.4	-69.5	164	0	0	0	111.3	A99 I100 E101 Q106 W127 L136 N751 W753 F756	A99-I103 WeakPolarHBondContact O-CD1 3.39Å; A99-I103 WeakPolarHBondContact O-CG1 3.48Å; A99-I103 PolarHBondContact O-N 3.4Å; I100-I103 PolarHBondContact O-N 2.79Å; E101-I103 VanDerWaalsContact C-N 3.35Å; E101-I103 PolarHBondContact O-N 3.13Å; I103-Q106 WeakPolarHBondContact O-CG 3.43Å; I103-W127 VanDerWaalsContact O-CD1 3.3Å; I103-W127 PolarHBondContact O-NE1 2.98Å; I103-L136 HydrophobicContact CG2-CD1 4.18Å; I103-N751 WeakPolarHBondContact CG1-O 3.21Å; I103-W753 HydrophobicContact CD1-CD2 3.9Å; I103-W753 HydrophobicContact CD1-CE3 4.12Å; I103-W753 HydrophobicContact CD1-CG 4.24Å; I103-W753 HydrophobicContact CD1-CZ2 4.45Å; I103-W753 HydrophobicContact CD1-CZ3 4.49Å; I103-W753 HydrophobicContact CG1-CD2 4.41Å; I103-W753 HydrophobicContact CG1-CG 4.48Å; I103-W753 HydrophobicContact CG2-CZ2 3.87Å; I103-F756 HydrophobicContact CD1-CB 4.02Å; I103-F756 HydrophobicContact CD1-CD2 4.08Å; I103-F756 HydrophobicContact CD1-CG 4.23Å
104	T	82.1	Confident	80.3	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.055	23%	0.234	C	C	.	.	H	α-helix	trans	-86.1	-22.2	-171.6	57.2	0	0	0	0	113.6	I100 E101 Q106 S132 L136	I100-T104 HydrophobicContact CG2-CG2 4.11Å; I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 WeakPolarHBondContact O-CG2 3.33Å; I100-T104 PolarHBondContact O-N 3.17Å; I100-T104 PolarHBondContact O-OG1 2.8Å; E101-T104 PolarHBondContact O-N 2.91Å; E101-T104 PolarHBondContact O-OG1 2.97Å; T104-Q106 VanDerWaalsContact C-N 3.3Å; T104-S132 WeakPolarHBondContact CB-OG 3.44Å; T104-S132 WeakPolarHBondContact CG2-OG 3.36Å; T104-L136 HydrophobicContact CG2-CB 4.21Å; T104-L136 HydrophobicContact CG2-CD1 3.71Å
105	S	80.1	Confident	79.3	Confident	22 Å²	22	55.4 Å²	55.4	15%	0.154	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.1	174.9	57.2	0	0	0	0	114.2	E101 V102 E107 A690	E101-S105 VanDerWaalsContact O-CB 3.24Å; E101-S105 WeakPolarHBondContact O-CB 3.48Å; E101-S105 PolarHBondContact O-N 2.81Å; E101-S105 PolarHBondContact O-OG 3.12Å; V102-S105 WeakPolarHBondContact CA-OG 3.45Å; V102-S105 PolarHBondContact O-OG 2.98Å; S105-E107 PolarHBondContact O-N 2.83Å; S105-A690 VanDerWaalsContact CB-CB 3.49Å; S105-A690 WeakPolarHBondContact OG-CB 3.5Å
106	Q	78.6	Confident	78	Confident	56 Å²	56	59.7 Å²	59.7	26%	0.262	30%	0.295	S	S	.	.			trans	-59.7	127.9	177	-69.7	-178.4	13.1	0	0	111.4	V102 I103 T104 V126 N751	V102-Q106 WeakPolarHBondContact O-CG 3.12Å; I103-Q106 WeakPolarHBondContact O-CG 3.43Å; T104-Q106 VanDerWaalsContact C-N 3.3Å; Q106-V126 HydrophobicContact CB-CB 4.49Å; Q106-V126 HydrophobicContact CB-CG2 4.26Å; Q106-V126 WeakPolarHBondContact O-CB 3.43Å; Q106-V126 WeakPolarHBondContact O-CG2 3.39Å; Q106-V126 PolarHBondContact O-N 3.43Å; Q106-N751 PolarHBondContact NE2-O 3.41Å
107	E	78.6	Confident	76.9	Confident	94 Å²	94	62.6 Å²	62.6	44%	0.439	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.5	175.1	-66.7	178.7	-178.6	0	0	109.6	S105 I124 R125	S105-E107 PolarHBondContact O-N 2.83Å; E107-I124 WeakPolarHBondContact CA-O 3.3Å; E107-R125 HydrophobicContact CG-CG 3.97Å
108	R	77.3	Confident	75.8	Confident	169 Å²	169	68.7 Å²	68.7	64%	0.638	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.6	175.9	-177.3	175.7	-177.6	177.5	2.2	109	I110 I124 V126	R108-I110 HydrophobicContact CG-CG2 4.41Å; R108-I110 PolarHBondContact O-N 2.87Å; R108-I124 PolarHBondContact N-O 3.05Å; R108-I124 PolarHBondContact O-N 3.49Å; R108-V126 HydrophobicContact CB-CG2 3.67Å
109	E	75.4	Confident	74.9	Confident	143 Å²	143	72.3 Å²	72.3	67%	0.668	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	120	169.1	-70.2	178	-169.8	0	0	109.4	T123	E109-T123 HydrophobicContact CG-CG2 3.55Å
110	I	75.6	Confident	73.8	Confident	52 Å²	52	74.3 Å²	74.3	27%	0.267	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.9	170.2	54.4	165.8	0	0	0	109.3	R108 I112 T122 I124	R108-I110 HydrophobicContact CG-CG2 4.41Å; R108-I110 PolarHBondContact O-N 2.87Å; I110-I112 HydrophobicContact CD1-CD1 3.9Å; I110-I112 HydrophobicContact CD1-CG1 3.95Å; I110-I112 HydrophobicContact CG1-CD1 4.4Å; I110-I112 HydrophobicContact CG1-CG1 4.18Å; I110-I112 PolarHBondContact O-N 3.04Å; I110-T122 WeakPolarHBondContact CG1-O 3.03Å; I110-T122 PolarHBondContact N-O 3.23Å; I110-T122 PolarHBondContact O-N 2.82Å; I110-I124 HydrophobicContact CD1-CD1 3.55Å; I110-I124 HydrophobicContact CD1-CG1 3.92Å; I110-I124 HydrophobicContact CD1-CG2 3.98Å; I110-I124 HydrophobicContact CG1-CD1 4.13Å; I110-I124 HydrophobicContact CG1-CG1 3.99Å; I110-I124 HydrophobicContact CG1-CG2 4.25Å; I110-I124 HydrophobicContact CG2-CD1 4.27Å; I110-I124 HydrophobicContact CG2-CG1 4.36Å
111	V	74.6	Confident	73	Confident	91 Å²	91	79 Å²	79	55%	0.552	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	101.7	173.8	-175.1	0	0	0	0	107.6	T119 T121	V111-T119 HydrophobicContact CG1-CG2 3.68Å; V111-T121 HydrophobicContact CG2-CG2 3.98Å
112	I	75.6	Confident	72.1	Confident	83 Å²	83	79.2 Å²	79.2	43%	0.426	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.1	175.1	-55.4	175.2	0	0	0	107.1	I110 R114 T120	I110-I112 HydrophobicContact CD1-CD1 3.9Å; I110-I112 HydrophobicContact CD1-CG1 3.95Å; I110-I112 HydrophobicContact CG1-CD1 4.4Å; I110-I112 HydrophobicContact CG1-CG1 4.18Å; I110-I112 PolarHBondContact O-N 3.04Å; I112-R114 PolarHBondContact O-N 2.92Å; I112-T120 PolarHBondContact N-O 3.37Å; I112-T120 PolarHBondContact O-N 2.65Å; I112-T120 VanDerWaalsContact O-N 3.09Å
113	K	69.3	Low	71.3	Confident	164 Å²	164	82 Å²	82	71%	0.713	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	116	170.5	-85.7	-175.6	176.8	-175	0	109.1	T119	K113-T119 HydrophobicContact CD-CG2 4.42Å; K113-T119 HydrophobicContact CG-CG2 3.6Å
114	R	65.2	Low	70.6	Confident	77 Å²	77	85.6 Å²	85.6	29%	0.291	45%	0.453	S	S	.	.			trans	-70.2	154.8	171.2	-65.7	-172.8	179.9	-152.6	0.2	110	I112 N116 G117 E118 T120	I112-R114 PolarHBondContact O-N 2.92Å; R114-N116 PolarHBondContact O-N 2.85Å; R114-G117 PolarHBondContact O-N 3.47Å; R114-E118 WeakPolarHBondContact CB-O 3.22Å; R114-E118 PolarHBondContact N-O 2.84Å; R114-T120 PolarHBondContact NE-OG1 2.9Å
115	P	59.2	Low	69.9	Low	119 Å²	119	92.1 Å²	92.1	77%	0.773	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.9	173.3	21.9	-31.6	0	0	0	113.7	G117	P115-G117 VanDerWaalsContact C-N 3.33Å
116	N	60.8	Low	69.9	Low	135 Å²	135	94.7 Å²	94.7	72%	0.722	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.4	177.7	-58	4.8	0	0	0	113.6	R114 E118	R114-N116 PolarHBondContact O-N 2.85Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 3.5Å
117	G	63.5	Low	69.7	Low	60 Å²	60	96 Å²	96	62%	0.619	49%	0.494	S	S	*	.	S	Bend	trans	89	-15.3	-178.7	0	0	0	0	0	115.2	R114 P115	R114-G117 PolarHBondContact O-N 3.47Å; P115-G117 VanDerWaalsContact C-N 3.33Å
118	E	62.5	Low	69.7	Low	128 Å²	128	93.3 Å²	93.3	60%	0.598	48%	0.483	S	S	*	.			trans	-72.3	132.4	174	-71.2	178.6	168.4	0	0	111.9	R114 N116	R114-E118 WeakPolarHBondContact CB-O 3.22Å; R114-E118 PolarHBondContact N-O 2.84Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 3.5Å
119	T	66.6	Low	69.5	Low	81 Å²	81	90.9 Å²	90.9	50%	0.497	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.7	175	45.9	0	0	0	0	109.8	V111 K113	V111-T119 HydrophobicContact CG1-CG2 3.68Å; K113-T119 HydrophobicContact CD-CG2 4.42Å; K113-T119 HydrophobicContact CG-CG2 3.6Å
120	T	64.6	Low	69.4	Low	41 Å²	41	85.2 Å²	85.2	25%	0.252	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124	170.2	49.8	0	0	0	0	109.9	I112 R114	I112-T120 PolarHBondContact N-O 3.37Å; I112-T120 PolarHBondContact O-N 2.65Å; I112-T120 VanDerWaalsContact O-N 3.09Å; R114-T120 PolarHBondContact NE-OG1 2.9Å
121	T	68.9	Low	69.6	Low	98 Å²	98	84 Å²	84	60%	0.601	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.2	172.2	45.8	0	0	0	0	108.9	V111	V111-T121 HydrophobicContact CG2-CG2 3.98Å
122	T	64.2	Low	69.8	Low	21 Å²	21	79.9 Å²	79.9	13%	0.129	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.6	173.6	-54.6	0	0	0	0	108.8	I110 I124 E308	I110-T122 WeakPolarHBondContact CG1-O 3.03Å; I110-T122 PolarHBondContact N-O 3.23Å; I110-T122 PolarHBondContact O-N 2.82Å; T122-I124 HydrophobicContact CG2-CG2 4.23Å; T122-E308 WeakPolarHBondContact CG2-OE1 3.02Å
123	T	68.6	Low	69.8	Low	78 Å²	78	78.2 Å²	78.2	48%	0.479	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118	170.1	46.2	0	0	0	0	108.8	E109	E109-T123 HydrophobicContact CG-CG2 3.55Å
124	I	71.8	Confident	70	Confident	76 Å²	76	71 Å²	71	39%	0.39	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.2	171.6	61.3	165.1	0	0	0	109.6	E107 R108 I110 T122 V126	E107-I124 WeakPolarHBondContact CA-O 3.3Å; R108-I124 PolarHBondContact N-O 3.05Å; R108-I124 PolarHBondContact O-N 3.49Å; I110-I124 HydrophobicContact CD1-CD1 3.55Å; I110-I124 HydrophobicContact CD1-CG1 3.92Å; I110-I124 HydrophobicContact CD1-CG2 3.98Å; I110-I124 HydrophobicContact CG1-CD1 4.13Å; I110-I124 HydrophobicContact CG1-CG1 3.99Å; I110-I124 HydrophobicContact CG1-CG2 4.25Å; I110-I124 HydrophobicContact CG2-CD1 4.27Å; I110-I124 HydrophobicContact CG2-CG1 4.36Å; T122-I124 HydrophobicContact CG2-CG2 4.23Å; I124-V126 PolarHBondContact O-N 3.49Å
125	R	68.1	Low	70.7	Confident	147 Å²	147	68.3 Å²	68.3	56%	0.555	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.9	132.4	169.1	-71.2	-176.2	178.8	176.9	-0.2	109.7	E107 W127	E107-R125 HydrophobicContact CG-CG 3.97Å; R125-W127 VanDerWaalsContact C-N 3.31Å
126	V	78.2	Confident	71.6	Confident	76 Å²	76	63.7 Å²	63.7	46%	0.461	35%	0.346	S	S	.	.	S	Bend	trans	-64.7	-40.3	179	174.6	0	0	0	0	110.5	Q106 R108 I124	Q106-V126 HydrophobicContact CB-CB 4.49Å; Q106-V126 HydrophobicContact CB-CG2 4.26Å; Q106-V126 WeakPolarHBondContact O-CB 3.43Å; Q106-V126 WeakPolarHBondContact O-CG2 3.39Å; Q106-V126 PolarHBondContact O-N 3.43Å; R108-V126 HydrophobicContact CB-CG2 3.67Å; I124-V126 PolarHBondContact O-N 3.49Å
127	W	75.5	Confident	72.4	Confident	83 Å²	83	57.6 Å²	57.6	31%	0.314	31%	0.314	S	S	.	.	S	Bend	trans	-97.1	135.3	-179.5	-66	89.5	0	0	0	111.5	I103 R125 L136	I103-W127 VanDerWaalsContact O-CD1 3.3Å; I103-W127 PolarHBondContact O-NE1 2.98Å; R125-W127 VanDerWaalsContact C-N 3.31Å; W127-L136 HydrophobicContact CH2-CD1 4.08Å; W127-L136 HydrophobicContact CZ2-CD1 4.13Å; W127-L136 HydrophobicContact CZ3-CD1 4.34Å
128	N	79.1	Confident	73	Confident	38 Å²	38	54.9 Å²	54.9	20%	0.203	29%	0.285	C	S	.	.			trans	-71.9	133.5	166.9	173.8	-88.7	0	0	0	109.3	T130 V131 S132	N128-T130 PolarHBondContact O-N 2.91Å; N128-T130 WeakPolarHBondContact OD1-CB 3.4Å; N128-T130 PolarHBondContact OD1-N 2.82Å; N128-T130 VanDerWaalsContact OD1-N 3.14Å; N128-V131 HydrophobicContact CB-CB 4.19Å; N128-V131 HydrophobicContact CB-CG2 4.1Å; N128-V131 PolarHBondContact O-N 2.84Å; N128-V131 VanDerWaalsContact O-N 3.13Å; N128-V131 PolarHBondContact OD1-N 3.02Å; N128-S132 WeakPolarHBondContact O-CB 3.15Å; N128-S132 PolarHBondContact O-N 3.13Å
129	E	73.1	Confident	73.9	Confident	117 Å²	117	50.2 Å²	50.2	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-46.6	-175.2	-168.4	-179.4	171.1	0	0	113	V131 S132 N133	E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 3.22Å; E129-S132 PolarHBondContact O-N 2.96Å; E129-N133 WeakPolarHBondContact O-CB 3.27Å; E129-N133 PolarHBondContact O-N 2.91Å; E129-N133 PolarHBondContact O-ND2 3.48Å; E129-N133 PolarHBondContact O-OD1 3.02Å
130	T	72.4	Confident	74.5	Confident	24 Å²	24	46.4 Å²	46.4	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-41.7	177	-56.7	0	0	0	0	112	N128 L134 V200 A246 D250	N128-T130 PolarHBondContact O-N 2.91Å; N128-T130 WeakPolarHBondContact OD1-CB 3.4Å; N128-T130 PolarHBondContact OD1-N 2.82Å; N128-T130 VanDerWaalsContact OD1-N 3.14Å; T130-L134 WeakPolarHBondContact O-CB 3.36Å; T130-L134 PolarHBondContact O-N 2.81Å; T130-L134 VanDerWaalsContact O-N 3.15Å; T130-V200 HydrophobicContact CG2-CG1 3.93Å; T130-V200 HydrophobicContact CG2-CG2 4.49Å; T130-A246 HydrophobicContact CG2-CB 4.38Å; T130-D250 HydrophobicContact CG2-CB 4.23Å; T130-D250 PolarHBondContact OG1-OD2 3.21Å
131	V	80.8	Confident	75.2	Confident	27 Å²	27	44.4 Å²	44.4	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-45.7	178.4	175.5	0	0	0	0	110.7	N128 E129 N133 L134 T135 V243 W247	N128-V131 HydrophobicContact CB-CB 4.19Å; N128-V131 HydrophobicContact CB-CG2 4.1Å; N128-V131 PolarHBondContact O-N 2.84Å; N128-V131 VanDerWaalsContact O-N 3.13Å; N128-V131 PolarHBondContact OD1-N 3.02Å; E129-V131 VanDerWaalsContact C-N 3.33Å; E129-V131 PolarHBondContact O-N 3.22Å; V131-N133 VanDerWaalsContact C-N 3.34Å; V131-N133 PolarHBondContact O-N 2.84Å; V131-L134 PolarHBondContact O-N 2.94Å; V131-T135 HydrophobicContact CG1-CG2 4.19Å; V131-T135 WeakPolarHBondContact O-CB 3.4Å; V131-T135 WeakPolarHBondContact O-CG2 3.39Å; V131-T135 PolarHBondContact O-N 2.82Å; V131-T135 PolarHBondContact O-OG1 3.4Å; V131-V243 HydrophobicContact CG1-CG1 3.89Å; V131-V243 HydrophobicContact CG2-CG1 4.34Å; V131-W247 HydrophobicContact CG2-CB 3.84Å; V131-W247 HydrophobicContact CG2-CG 4Å
132	S	78.4	Confident	76	Confident	5 Å²	5	39.8 Å²	39.8	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-56.2	-48.5	176.4	175.8	0	0	0	0	111.5	T104 N128 E129 L134 T135 L136 M137	T104-S132 WeakPolarHBondContact CB-OG 3.44Å; T104-S132 WeakPolarHBondContact CG2-OG 3.36Å; N128-S132 WeakPolarHBondContact O-CB 3.15Å; N128-S132 PolarHBondContact O-N 3.13Å; E129-S132 PolarHBondContact O-N 2.96Å; S132-L134 PolarHBondContact O-N 2.7Å; S132-T135 PolarHBondContact O-N 2.83Å; S132-L136 PolarHBondContact O-N 2.7Å; S132-L136 VanDerWaalsContact O-N 3.14Å; S132-M137 PolarHBondContact O-N 2.99Å
133	N	74.5	Confident	77.2	Confident	47 Å²	47	38.9 Å²	38.9	25%	0.251	20%	0.195	S	C	.	.	I	π-helix	trans	-62.8	-43.2	-178.6	-70.8	-9.6	0	0	0	112.1	E129 V131 M137 A138	E129-N133 WeakPolarHBondContact O-CB 3.27Å; E129-N133 PolarHBondContact O-N 2.91Å; E129-N133 PolarHBondContact O-ND2 3.48Å; E129-N133 PolarHBondContact O-OD1 3.02Å; V131-N133 VanDerWaalsContact C-N 3.34Å; V131-N133 PolarHBondContact O-N 2.84Å; N133-M137 PolarHBondContact OD1-SD 3.26Å; N133-A138 PolarHBondContact O-N 3.25Å; N133-A138 VanDerWaalsContact O-N 3.09Å
134	L	73.9	Confident	78	Confident	14 Å²	14	35.3 Å²	35.3	7%	0.073	17%	0.173	C	C	.	.	I	π-helix	trans	-81.5	-23.7	-177.3	-163.8	68.4	0	0	0	113.6	T130 V131 S132 A138 T204 V243 A246	T130-L134 WeakPolarHBondContact O-CB 3.36Å; T130-L134 PolarHBondContact O-N 2.81Å; T130-L134 VanDerWaalsContact O-N 3.15Å; V131-L134 PolarHBondContact O-N 2.94Å; S132-L134 PolarHBondContact O-N 2.7Å; L134-A138 VanDerWaalsContact O-CB 3.3Å; L134-A138 WeakPolarHBondContact O-CB 3.2Å; L134-T204 HydrophobicContact CD1-CG2 3.86Å; L134-T204 HydrophobicContact CD2-CG2 4.35Å; L134-V243 HydrophobicContact CD2-CG2 4.14Å; L134-V243 HydrophobicContact CG-CG2 4.47Å; L134-A246 HydrophobicContact CD2-CB 3.62Å
135	T	80.7	Confident	78.8	Confident	19 Å²	19	31.7 Å²	31.7	12%	0.117	15%	0.154	C	C	.	.	I	π-helix	trans	-96.7	-82.7	-179	56.6	0	0	0	0	111.3	V131 S132 L139 F239 V243	V131-T135 HydrophobicContact CG1-CG2 4.19Å; V131-T135 WeakPolarHBondContact O-CB 3.4Å; V131-T135 WeakPolarHBondContact O-CG2 3.39Å; V131-T135 PolarHBondContact O-N 2.82Å; V131-T135 PolarHBondContact O-OG1 3.4Å; S132-T135 PolarHBondContact O-N 2.83Å; T135-L139 WeakPolarHBondContact O-CB 3.4Å; T135-L139 PolarHBondContact O-N 3.31Å; T135-F239 HydrophobicContact CG2-CZ 3.94Å; T135-V243 HydrophobicContact CG2-CB 4.18Å; T135-V243 HydrophobicContact CG2-CG1 3.62Å; T135-V243 HydrophobicContact CG2-CG2 3.44Å; T135-V243 VanDerWaalsContact CG2-CG2 3.44Å
136	L	78.1	Confident	79.9	Confident	22 Å²	22	25.4 Å²	25.4	12%	0.115	13%	0.131	C	C	.	.	I	π-helix	trans	-72	-40.7	-171.4	-68.4	173.1	0	0	0	111.7	I100 I103 T104 W127 S132 G140 F756	I100-L136 WeakPolarHBondContact CD1-O 3.24Å; I100-L136 HydrophobicContact CG2-CB 3.7Å; I103-L136 HydrophobicContact CG2-CD1 4.18Å; T104-L136 HydrophobicContact CG2-CB 4.21Å; T104-L136 HydrophobicContact CG2-CD1 3.71Å; W127-L136 HydrophobicContact CH2-CD1 4.08Å; W127-L136 HydrophobicContact CZ2-CD1 4.13Å; W127-L136 HydrophobicContact CZ3-CD1 4.34Å; S132-L136 PolarHBondContact O-N 2.7Å; S132-L136 VanDerWaalsContact O-N 3.14Å; L136-G140 PolarHBondContact O-N 3.17Å; L136-F756 HydrophobicContact CD2-CE2 4.45Å
137	M	76.4	Confident	80.5	Confident	8 Å²	8	23.2 Å²	23.2	4%	0.039	12%	0.117	C	C	.	.	I	π-helix	trans	-73	-34.6	-179.6	-57.6	-162.3	-178.2	0	0	112.9	I100 E101 S132 N133 G140 S141 R354	I100-M137 HydrophobicContact CG2-CG 4.03Å; E101-M137 VanDerWaalsContact OE2-CE 3.25Å; E101-M137 WeakPolarHBondContact OE2-CE 3.37Å; S132-M137 PolarHBondContact O-N 2.99Å; N133-M137 PolarHBondContact OD1-SD 3.26Å; M137-G140 PolarHBondContact O-N 3.27Å; M137-S141 PolarHBondContact O-N 3.01Å; M137-R354 PolarHBondContact O-NH1 2.88Å; M137-R354 HydrophobicContact SD-CB 4.21Å
138	A	76.2	Confident	81.2	Confident	2 Å²	2	19.7 Å²	19.7	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-69.3	-42.5	173.6	0	0	0	0	0	111.6	N133 L134 G140 S141 S142 V828	N133-A138 PolarHBondContact O-N 3.25Å; N133-A138 VanDerWaalsContact O-N 3.09Å; L134-A138 VanDerWaalsContact O-CB 3.3Å; L134-A138 WeakPolarHBondContact O-CB 3.2Å; A138-G140 VanDerWaalsContact C-N 3.26Å; A138-G140 PolarHBondContact O-N 2.95Å; A138-S141 PolarHBondContact O-N 3.12Å; A138-S141 PolarHBondContact O-OG 3.07Å; A138-S142 PolarHBondContact O-N 3.47Å; A138-S142 PolarHBondContact O-OG 2.85Å; A138-V828 HydrophobicContact CB-CG2 3.93Å
139	L	81.3	Confident	81.7	Confident	31 Å²	31	17.9 Å²	17.9	16%	0.162	10%	0.095	C	C	.	.	H	α-helix	trans	-59.1	-41.1	171.6	-175.5	158.9	0	0	0	111	F96 T135 S141 S142 A143 L832	F96-L139 HydrophobicContact CE1-CD2 3.9Å; F96-L139 HydrophobicContact CZ-CD2 3.6Å; T135-L139 WeakPolarHBondContact O-CB 3.4Å; T135-L139 PolarHBondContact O-N 3.31Å; L139-S141 PolarHBondContact O-N 2.87Å; L139-S142 CarbonylContact O-C 3.57Å; L139-S142 PolarHBondContact O-N 2.84Å; L139-S142 VanDerWaalsContact O-N 3.12Å; L139-A143 PolarHBondContact O-N 2.8Å; L139-L832 HydrophobicContact CD1-CD2 3.64Å; L139-L832 HydrophobicContact CG-CD2 4.24Å
140	G	79.6	Confident	82.5	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-49.5	-38.7	175.4	0	0	0	0	0	115.2	M97 I100 L136 M137 A138 R358	M97-G140 WeakPolarHBondContact SD-CA 2.92Å; I100-G140 VanDerWaalsContact CD1-CA 3.47Å; L136-G140 PolarHBondContact O-N 3.17Å; M137-G140 PolarHBondContact O-N 3.27Å; A138-G140 VanDerWaalsContact C-N 3.26Å; A138-G140 PolarHBondContact O-N 2.95Å; G140-R358 PolarHBondContact O-NH1 3.44Å
141	S	78.4	Confident	83.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-81.8	-37.8	175.8	56	0	0	0	0	115	M137 A138 L139 A143 R354 R358 D801	M137-S141 PolarHBondContact O-N 3.01Å; A138-S141 PolarHBondContact O-N 3.12Å; A138-S141 PolarHBondContact O-OG 3.07Å; L139-S141 PolarHBondContact O-N 2.87Å; S141-A143 VanDerWaalsContact C-N 3.32Å; S141-R354 VanDerWaalsContact CB-NH1 3.32Å; S141-R354 VanDerWaalsContact OG-CZ 3.26Å; S141-R354 PolarHBondContact OG-NH1 3.37Å; S141-R354 PolarHBondContact OG-NH2 3.37Å; S141-R358 VanDerWaalsContact CA-NH1 3.25Å; S141-D801 WeakPolarHBondContact CB-OD1 3.31Å; S141-D801 VanDerWaalsContact CB-OD2 3.26Å; S141-D801 WeakPolarHBondContact CB-OD2 3.31Å
142	S	87.4	Confident	83.6	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.007	7%	0.074	C	C	.	.	H	α-helix	trans	-89.8	1.4	-171.7	-62.8	0	0	0	0	113.9	A138 L139 E145 I146 N829	A138-S142 PolarHBondContact O-N 3.47Å; A138-S142 PolarHBondContact O-OG 2.85Å; L139-S142 CarbonylContact O-C 3.57Å; L139-S142 PolarHBondContact O-N 2.84Å; L139-S142 VanDerWaalsContact O-N 3.12Å; S142-E145 WeakPolarHBondContact CA-OE2 3.43Å; S142-E145 PolarHBondContact O-N 2.88Å; S142-E145 VanDerWaalsContact O-OE2 3.08Å; S142-I146 WeakPolarHBondContact O-CB 3.43Å; S142-I146 WeakPolarHBondContact O-CD1 3.49Å; S142-I146 WeakPolarHBondContact O-CG1 3.15Å; S142-I146 PolarHBondContact O-N 2.83Å; S142-N829 WeakPolarHBondContact CB-OD1 3.26Å; S142-N829 PolarHBondContact OG-OD1 3.01Å
143	A	87.8	Confident	84.2	Confident	2 Å²	2	13.5 Å²	13.5	2%	0.017	7%	0.073	C	C	.	.	H	α-helix	trans	-56.9	-43	-175.3	0	0	0	0	0	112.6	F96 L139 S141 E145 L147	F96-A143 HydrophobicContact CD1-CB 4.22Å; F96-A143 HydrophobicContact CE1-CB 3.66Å; F96-A143 HydrophobicContact CZ-CB 4.44Å; L139-A143 PolarHBondContact O-N 2.8Å; S141-A143 VanDerWaalsContact C-N 3.32Å; A143-E145 PolarHBondContact O-N 3.49Å; A143-L147 WeakPolarHBondContact O-CB 3.48Å; A143-L147 WeakPolarHBondContact O-CD1 3.18Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.07Å
144	P	86.4	Confident	84.8	Confident	3 Å²	3	14.1 Å²	14.1	2%	0.019	8%	0.081	C	C	.	.	H	α-helix	trans	-59.5	-42.9	177.1	-25.5	36.1	0	0	0	114	V89 L148 I763 T767 T797	V89-P144 HydrophobicContact CG1-CB 4.05Å; V89-P144 HydrophobicContact CG1-CG 3.64Å; P144-L148 VanDerWaalsContact O-CB 3.27Å; P144-L148 WeakPolarHBondContact O-CB 2.95Å; P144-L148 PolarHBondContact O-N 2.89Å; P144-I763 HydrophobicContact CB-CG2 4.44Å; P144-I763 HydrophobicContact CG-CG2 4.09Å; P144-T767 HydrophobicContact CB-CG2 3.71Å; P144-T797 HydrophobicContact CB-CG2 4.01Å
145	E	89.4	Confident	85.3	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72	-42.4	-178.2	-58.4	89.2	155.7	0	0	111.7	S142 A143 L148 S149 T167 I168 T797	S142-E145 WeakPolarHBondContact CA-OE2 3.43Å; S142-E145 PolarHBondContact O-N 2.88Å; S142-E145 VanDerWaalsContact O-OE2 3.08Å; A143-E145 PolarHBondContact O-N 3.49Å; E145-L148 PolarHBondContact O-N 2.87Å; E145-S149 PolarHBondContact O-N 2.84Å; E145-T167 HydrophobicContact CG-CG2 4.33Å; E145-I168 HydrophobicContact CB-CG1 4.25Å; E145-T797 HydrophobicContact CG-CG2 4.39Å; E145-T797 WeakPolarHBondContact OE1-CB 3.05Å
146	I	90.6	Very high	85.5	Confident	14 Å²	14	17.3 Å²	17.3	7%	0.072	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-47.9	176.6	-69.8	167.2	0	0	0	110	S142 S149 V150 V828 L832	S142-I146 WeakPolarHBondContact O-CB 3.43Å; S142-I146 WeakPolarHBondContact O-CD1 3.49Å; S142-I146 WeakPolarHBondContact O-CG1 3.15Å; S142-I146 PolarHBondContact O-N 2.83Å; I146-S149 PolarHBondContact O-N 3.09Å; I146-V150 WeakPolarHBondContact O-CG2 3.33Å; I146-V150 PolarHBondContact O-N 2.81Å; I146-V150 VanDerWaalsContact O-N 3.12Å; I146-V828 HydrophobicContact CD1-CG1 4.17Å; I146-L832 HydrophobicContact CD1-CD2 4.21Å
147	L	90.5	Very high	85.9	Confident	31 Å²	31	22.5 Å²	22.5	16%	0.162	13%	0.127	C	C	.	.	H	α-helix	trans	-66.3	-39.2	179.8	-73.6	166.4	0	0	0	111.6	A143 S149 V150 I151 I760 I763	A143-L147 WeakPolarHBondContact O-CB 3.48Å; A143-L147 WeakPolarHBondContact O-CD1 3.18Å; A143-L147 WeakPolarHBondContact O-CG 3.35Å; A143-L147 PolarHBondContact O-N 3.07Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 2.85Å; L147-V150 PolarHBondContact O-N 3.18Å; L147-I151 HydrophobicContact CB-CD1 4.27Å; L147-I151 VanDerWaalsContact O-CB 3.29Å; L147-I151 WeakPolarHBondContact O-CB 3.44Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; L147-I151 PolarHBondContact O-N 2.85Å; L147-I760 HydrophobicContact CD1-CG1 3.86Å; L147-I760 HydrophobicContact CD2-CG1 4.48Å; L147-I763 HydrophobicContact CD1-CB 4.07Å; L147-I763 HydrophobicContact CD1-CG2 3.67Å
148	L	89.5	Confident	86.5	Confident	8 Å²	8	24.3 Å²	24.3	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-56.3	-47.6	175.1	-176.8	67.4	0	0	0	111.1	P144 E145 V150 I151 E152 L163 T167 V793	P144-L148 VanDerWaalsContact O-CB 3.27Å; P144-L148 WeakPolarHBondContact O-CB 2.95Å; P144-L148 PolarHBondContact O-N 2.89Å; E145-L148 PolarHBondContact O-N 2.87Å; L148-V150 PolarHBondContact O-N 3.42Å; L148-I151 PolarHBondContact O-N 3.05Å; L148-E152 VanDerWaalsContact O-CB 3.23Å; L148-E152 WeakPolarHBondContact O-CB 3.5Å; L148-E152 PolarHBondContact O-N 2.88Å; L148-L163 HydrophobicContact CD1-CD2 4.47Å; L148-T167 HydrophobicContact CD2-CG2 3.99Å; L148-V793 HydrophobicContact CD2-CG1 3.89Å
149	S	89.6	Confident	86.9	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-39.3	179.2	-175.7	0	0	0	0	113	E145 I146 L147 V153	E145-S149 PolarHBondContact O-N 2.84Å; I146-S149 PolarHBondContact O-N 3.09Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 2.85Å; S149-V153 WeakPolarHBondContact O-CG2 3.42Å; S149-V153 PolarHBondContact O-N 2.93Å
150	V	90.6	Very high	86.9	Confident	28 Å²	28	29.7 Å²	29.7	17%	0.17	16%	0.161	C	C	.	.	H	α-helix	trans	-69.9	-44	178.2	173.1	0	0	0	0	111.4	I146 L147 L148 C154 M836 A837	I146-V150 WeakPolarHBondContact O-CG2 3.33Å; I146-V150 PolarHBondContact O-N 2.81Å; I146-V150 VanDerWaalsContact O-N 3.12Å; L147-V150 PolarHBondContact O-N 3.18Å; L148-V150 PolarHBondContact O-N 3.42Å; V150-C154 WeakPolarHBondContact O-CB 3.44Å; V150-C154 PolarHBondContact O-N 3.14Å; V150-C154 PolarHBondContact O-SG 2.94Å; V150-M836 HydrophobicContact CG2-CG 4.34Å; V150-M836 HydrophobicContact CG2-SD 4.26Å; V150-A837 HydrophobicContact CG2-CB 4.04Å
151	I	89.3	Confident	86.9	Confident	38 Å²	38	30.1 Å²	30.1	20%	0.195	17%	0.165	C	C	.	.	H	α-helix	trans	-68.4	-41.3	-178.1	-68.6	168.3	0	0	0	110.8	I56 L147 L148 V153 C154 G155 G764 A768	I56-I151 HydrophobicContact CD1-CG2 4.18Å; L147-I151 HydrophobicContact CB-CD1 4.27Å; L147-I151 VanDerWaalsContact O-CB 3.29Å; L147-I151 WeakPolarHBondContact O-CB 3.44Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; L147-I151 PolarHBondContact O-N 2.85Å; L148-I151 PolarHBondContact O-N 3.05Å; I151-V153 PolarHBondContact O-N 2.74Å; I151-C154 PolarHBondContact O-N 3.3Å; I151-G155 WeakPolarHBondContact O-CA 3.46Å; I151-G155 PolarHBondContact O-N 2.91Å; I151-G764 WeakPolarHBondContact CD1-O 3.39Å; I151-A768 HydrophobicContact CD1-CB 4.38Å; I151-A768 HydrophobicContact CG2-CB 3.88Å
152	E	87.9	Confident	87	Confident	12 Å²	12	34.4 Å²	34.4	6%	0.056	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-46.8	177.9	-175.6	-174.4	-157.9	0	0	111.4	L148 C154 G155 H156 G161 E162 L163 G164	L148-E152 VanDerWaalsContact O-CB 3.23Å; L148-E152 WeakPolarHBondContact O-CB 3.5Å; L148-E152 PolarHBondContact O-N 2.88Å; E152-C154 PolarHBondContact O-N 2.85Å; E152-G155 PolarHBondContact O-N 2.91Å; E152-H156 WeakPolarHBondContact O-CB 3.47Å; E152-H156 PolarHBondContact O-N 3Å; E152-G161 WeakPolarHBondContact OE1-CA 3.3Å; E152-E162 PolarHBondContact OE1-N 3.06Å; E152-L163 WeakPolarHBondContact OE1-CB 3.36Å; E152-L163 PolarHBondContact OE1-N 3.36Å; E152-G164 WeakPolarHBondContact OE2-CA 2.86Å; E152-G164 PolarHBondContact OE2-N 2.83Å
153	V	89.1	Confident	86.8	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-47	176.7	167.9	0	0	0	0	111	S149 I151 F158 A837 A841	S149-V153 WeakPolarHBondContact O-CG2 3.42Å; S149-V153 PolarHBondContact O-N 2.93Å; I151-V153 PolarHBondContact O-N 2.74Å; V153-F158 HydrophobicContact CG1-CD1 4.46Å; V153-F158 WeakPolarHBondContact O-CA 3.21Å; V153-F158 PolarHBondContact O-N 2.82Å; V153-A837 HydrophobicContact CG2-CB 4.13Å; V153-A841 HydrophobicContact CG1-CB 3.65Å
154	C	88.3	Confident	86.7	Confident	61 Å²	61	34.7 Å²	34.7	41%	0.412	19%	0.187	S	C	.	.	H	α-helix	trans	-66.1	-36.9	178.3	-71.1	0	0	0	0	112.8	V150 I151 E152	V150-C154 WeakPolarHBondContact O-CB 3.44Å; V150-C154 PolarHBondContact O-N 3.14Å; V150-C154 PolarHBondContact O-SG 2.94Å; I151-C154 PolarHBondContact O-N 3.3Å; E152-C154 PolarHBondContact O-N 2.85Å
155	G	84.4	Confident	86.8	Confident	36 Å²	36	34.8 Å²	34.8	37%	0.371	19%	0.187	S	C	.	.	H	α-helix	trans	-73.5	-32.3	-178.5	0	0	0	0	0	113.4	I151 E152 E157	I151-G155 WeakPolarHBondContact O-CA 3.46Å; I151-G155 PolarHBondContact O-N 2.91Å; E152-G155 PolarHBondContact O-N 2.91Å; G155-E157 VanDerWaalsContact C-N 3.29Å; G155-E157 PolarHBondContact O-N 2.86Å
156	H	84.9	Confident	86.8	Confident	63 Å²	63	35.1 Å²	35.1	29%	0.292	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	36.3	177.3	-64.6	167.8	0	0	0	113.2	E152 F158 K159	E152-H156 WeakPolarHBondContact O-CB 3.47Å; E152-H156 PolarHBondContact O-N 3Å; H156-F158 VanDerWaalsContact C-N 3.29Å; H156-F158 PolarHBondContact O-N 2.7Å; H156-K159 WeakPolarHBondContact O-CB 3.26Å; H156-K159 WeakPolarHBondContact O-CG 3.25Å; H156-K159 PolarHBondContact O-N 2.78Å
157	E	86.3	Confident	86.7	Confident	132 Å²	132	34.4 Å²	34.4	62%	0.617	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	39.8	178.5	-54.3	-179.2	156.1	0	0	113.7	G155 K159	G155-E157 VanDerWaalsContact C-N 3.29Å; G155-E157 PolarHBondContact O-N 2.86Å; E157-K159 VanDerWaalsContact C-N 3.25Å; E157-K159 PolarHBondContact O-N 2.76Å
158	F	88.1	Confident	86.7	Confident	46 Å²	46	33 Å²	33	20%	0.202	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	18.6	-177.1	-56.6	-87.9	0	0	0	114.8	V153 H156 V840 A841 Y844 W845 F852	V153-F158 HydrophobicContact CG1-CD1 4.46Å; V153-F158 WeakPolarHBondContact O-CA 3.21Å; V153-F158 PolarHBondContact O-N 2.82Å; H156-F158 VanDerWaalsContact C-N 3.29Å; H156-F158 PolarHBondContact O-N 2.7Å; F158-V840 HydrophobicContact CD1-CG1 4.17Å; F158-V840 HydrophobicContact CE1-CG1 3.73Å; F158-A841 HydrophobicContact CB-CB 4.43Å; F158-Y844 HydrophobicContact CB-CD1 3.49Å; F158-Y844 VanDerWaalsContact CB-CD1 3.49Å; F158-Y844 HydrophobicContact CB-CE1 3.85Å; F158-Y844 HydrophobicContact CB-CG 4.01Å; F158-Y844 HydrophobicContact CD1-CD1 4.46Å; F158-Y844 HydrophobicContact CD1-CD2 4.5Å; F158-Y844 HydrophobicContact CD1-CG 4.13Å; F158-Y844 AromaticContact CD2-CD1 3.68Å; F158-Y844 HydrophobicContact CD2-CD1 3.68Å; F158-Y844 AromaticContact CD2-CD2 3.74Å; F158-Y844 HydrophobicContact CD2-CD2 3.74Å; F158-Y844 AromaticContact CD2-CE1 3.54Å; F158-Y844 HydrophobicContact CD2-CE1 3.54Å; F158-Y844 AromaticContact CD2-CE2 3.58Å; F158-Y844 HydrophobicContact CD2-CE2 3.58Å; F158-Y844 AromaticContact CD2-CG 3.74Å; F158-Y844 HydrophobicContact CD2-CG 3.74Å; F158-Y844 AromaticContact CD2-CZ 3.43Å; F158-Y844 VanDerWaalsContact CD2-CZ 3.43Å; F158-Y844 AromaticContact CE2-CD2 3.8Å; F158-Y844 HydrophobicContact CE2-CD2 3.8Å; F158-Y844 HydrophobicContact CE2-CE1 4.4Å; F158-Y844 AromaticContact CE2-CE2 3.6Å; F158-Y844 HydrophobicContact CE2-CE2 3.6Å; F158-Y844 HydrophobicContact CE2-CG 4.24Å; F158-Y844 AromaticContact CE2-CZ 3.89Å; F158-Y844 AromaticContact CG-CD1 3.62Å; F158-Y844 HydrophobicContact CG-CD1 3.62Å; F158-Y844 HydrophobicContact CG-CD2 4.1Å; F158-Y844 AromaticContact CG-CE1 3.93Å; F158-Y844 HydrophobicContact CG-CE1 3.93Å; F158-Y844 HydrophobicContact CG-CE2 4.37Å; F158-Y844 AromaticContact CG-CG 3.68Å; F158-Y844 HydrophobicContact CG-CG 3.68Å; F158-Y844 HydrophobicContact CZ-CD2 4.22Å; F158-Y844 HydrophobicContact CZ-CE2 4.4Å; F158-W845 PolarHBondContact O-NE1 3.46Å; F158-F852 WeakPolarHBondContact O-CE2 3.48Å
159	K	85.3	Confident	86.8	Confident	110 Å²	110	32.6 Å²	32.6	48%	0.478	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-82.2	153.2	168.6	-62.4	174.9	-172.7	162.2	0	110.3	H156 E157 G161 W845	H156-K159 WeakPolarHBondContact O-CB 3.26Å; H156-K159 WeakPolarHBondContact O-CG 3.25Å; H156-K159 PolarHBondContact O-N 2.78Å; E157-K159 VanDerWaalsContact C-N 3.25Å; E157-K159 PolarHBondContact O-N 2.76Å; K159-G161 PolarHBondContact O-N 2.86Å; K159-W845 HydrophobicContact CG-CZ2 4.13Å
160	S	81.6	Confident	86.9	Confident	35 Å²	35	32.6 Å²	32.6	25%	0.245	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-70.7	121	173.6	59.3	0	0	0	0	109.4	V853	S160-V853 PolarHBondContact OG-O 2.77Å; S160-V853 VanDerWaalsContact OG-O 3.12Å
161	G	79.9	Confident	86.8	Confident	9 Å²	9	31.3 Å²	31.3	9%	0.093	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-85.2	158.3	165	0	0	0	0	0	111.6	E152 K159 P165	E152-G161 WeakPolarHBondContact OE1-CA 3.3Å; K159-G161 PolarHBondContact O-N 2.86Å; G161-P165 VanDerWaalsContact O-CD 3.29Å; G161-P165 WeakPolarHBondContact O-CD 3.36Å; G161-P165 WeakPolarHBondContact O-CG 3.5Å
162	E	80.2	Confident	86.9	Confident	91 Å²	91	29.5 Å²	29.5	43%	0.425	16%	0.159	S	C	.	.	S	Bend	trans	-85.2	-26.4	176.6	-68.9	-173.5	-167.9	0	0	111.9	E152 S166 S786	E152-E162 PolarHBondContact OE1-N 3.06Å; E162-S166 WeakPolarHBondContact O-CB 3.43Å; E162-S166 PolarHBondContact O-N 2.86Å; E162-S166 PolarHBondContact O-OG 2.88Å; E162-S786 PolarHBondContact OE2-OG 3.42Å
163	L	82.9	Confident	87.1	Confident	9 Å²	9	28.9 Å²	28.9	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-70.9	-45.7	-167.2	-160	83.3	0	0	0	111.8	L148 E152 T167 A774 D785 A789	L148-L163 HydrophobicContact CD1-CD2 4.47Å; E152-L163 WeakPolarHBondContact OE1-CB 3.36Å; E152-L163 PolarHBondContact OE1-N 3.36Å; L163-T167 VanDerWaalsContact O-CB 3.23Å; L163-T167 WeakPolarHBondContact O-CB 3.26Å; L163-T167 PolarHBondContact O-N 3.39Å; L163-T167 PolarHBondContact O-OG1 2.88Å; L163-A774 HydrophobicContact CD2-CB 4.43Å; L163-D785 HydrophobicContact CD1-CB 4.08Å; L163-D785 WeakPolarHBondContact CD1-O 3.45Å; L163-A789 HydrophobicContact CD1-CB 3.85Å; L163-A789 HydrophobicContact CG-CB 4.12Å; L163-A789 WeakPolarHBondContact O-CB 3.3Å
164	G	85.6	Confident	87.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-56.5	-176.6	0	0	0	0	0	113.3	E152 S166 T167 I168	E152-G164 WeakPolarHBondContact OE2-CA 2.86Å; E152-G164 PolarHBondContact OE2-N 2.83Å; G164-S166 VanDerWaalsContact C-N 3.33Å; G164-S166 PolarHBondContact O-N 2.81Å; G164-T167 PolarHBondContact O-N 3.13Å; G164-I168 PolarHBondContact O-N 3.27Å
165	P	88.4	Confident	87.3	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-57.7	-43.2	175.2	-24.8	35.1	0	0	0	112.5	G161 T167 I168 V169 W838 L859	G161-P165 VanDerWaalsContact O-CD 3.29Å; G161-P165 WeakPolarHBondContact O-CD 3.36Å; G161-P165 WeakPolarHBondContact O-CG 3.5Å; P165-T167 PolarHBondContact O-N 3.46Å; P165-I168 PolarHBondContact O-N 3.08Å; P165-V169 WeakPolarHBondContact O-CG2 3.28Å; P165-V169 PolarHBondContact O-N 3.32Å; P165-V169 VanDerWaalsContact O-N 3.1Å; P165-W838 HydrophobicContact CB-CZ2 4.39Å; P165-W838 HydrophobicContact CG-CZ2 4.22Å; P165-L859 HydrophobicContact CB-CD1 3.94Å; P165-L859 HydrophobicContact CB-CD2 3.74Å
166	S	88.9	Confident	87.5	Confident	7 Å²	7	24.8 Å²	24.8	5%	0.049	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-35	176.6	-68.6	0	0	0	0	112.9	E162 G164 G170	E162-S166 WeakPolarHBondContact O-CB 3.43Å; E162-S166 PolarHBondContact O-N 2.86Å; E162-S166 PolarHBondContact O-OG 2.88Å; G164-S166 VanDerWaalsContact C-N 3.33Å; G164-S166 PolarHBondContact O-N 2.81Å; S166-G170 PolarHBondContact O-N 2.82Å
167	T	90.1	Very high	87.9	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-42	173.6	-61.8	0	0	0	0	111.1	E145 L148 L163 G164 P165 G170 S171 A789 V793	E145-T167 HydrophobicContact CG-CG2 4.33Å; L148-T167 HydrophobicContact CD2-CG2 3.99Å; L163-T167 VanDerWaalsContact O-CB 3.23Å; L163-T167 WeakPolarHBondContact O-CB 3.26Å; L163-T167 PolarHBondContact O-N 3.39Å; L163-T167 PolarHBondContact O-OG1 2.88Å; G164-T167 PolarHBondContact O-N 3.13Å; P165-T167 PolarHBondContact O-N 3.46Å; T167-G170 PolarHBondContact O-N 3.36Å; T167-S171 WeakPolarHBondContact O-CB 3.28Å; T167-S171 PolarHBondContact O-N 2.89Å; T167-S171 PolarHBondContact O-OG 2.77Å; T167-A789 WeakPolarHBondContact OG1-CB 3.36Å; T167-V793 HydrophobicContact CG2-CB 4.28Å; T167-V793 HydrophobicContact CG2-CG1 3.77Å
168	I	90.9	Very high	88.2	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.7	-42.2	178.2	-76.4	170.7	0	0	0	112.1	E145 G164 P165 S171 A172 Y212 N829 V830 I834	E145-I168 HydrophobicContact CB-CG1 4.25Å; G164-I168 PolarHBondContact O-N 3.27Å; P165-I168 PolarHBondContact O-N 3.08Å; I168-S171 PolarHBondContact O-OG 2.93Å; I168-A172 PolarHBondContact O-N 3.09Å; I168-Y212 PolarHBondContact O-OH 3.38Å; I168-N829 HydrophobicContact CG2-CB 3.75Å; I168-V830 HydrophobicContact CG2-CG2 4.33Å; I168-I834 HydrophobicContact CB-CD1 4.46Å; I168-I834 HydrophobicContact CD1-CD1 4.46Å; I168-I834 HydrophobicContact CD1-CG1 3.67Å; I168-I834 HydrophobicContact CG2-CD1 3.87Å; I168-I834 HydrophobicContact CG2-CG1 4.14Å
169	V	90.5	Very high	88.3	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-73.1	-41	177.6	-175.1	0	0	0	0	110.5	P165 A172 A173 Y212 L215 L859 V863 F866 Y910	P165-V169 WeakPolarHBondContact O-CG2 3.28Å; P165-V169 PolarHBondContact O-N 3.32Å; P165-V169 VanDerWaalsContact O-N 3.1Å; V169-A172 PolarHBondContact O-N 2.83Å; V169-A173 PolarHBondContact O-N 2.99Å; V169-A173 VanDerWaalsContact O-N 3.09Å; V169-Y212 HydrophobicContact CB-CE1 4.37Å; V169-Y212 HydrophobicContact CG1-CD1 4.49Å; V169-Y212 HydrophobicContact CG1-CE1 4.24Å; V169-Y212 HydrophobicContact CG2-CE1 4.07Å; V169-L215 HydrophobicContact CG2-CD2 4.21Å; V169-L859 HydrophobicContact CG2-CD1 3.84Å; V169-V863 HydrophobicContact CG1-CG2 4.02Å; V169-V863 HydrophobicContact CG2-CG2 3.69Å; V169-F866 HydrophobicContact CG1-CB 4.43Å; V169-Y910 WeakPolarHBondContact CG1-OH 3.47Å
170	G	90.8	Very high	88.6	Confident	1 Å²	1	8.8 Å²	8.8	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-61.7	-43.9	176.4	0	0	0	0	0	113.3	S166 T167 A172 A173 F174 A794	S166-G170 PolarHBondContact O-N 2.82Å; T167-G170 PolarHBondContact O-N 3.36Å; G170-A172 VanDerWaalsContact C-N 3.32Å; G170-A172 PolarHBondContact O-N 3.19Å; G170-A173 WeakPolarHBondContact O-CB 3.12Å; G170-A173 PolarHBondContact O-N 3.01Å; G170-F174 PolarHBondContact O-N 3.46Å; G170-A794 VanDerWaalsContact C-CB 3.49Å
171	S	90.1	Very high	89.1	Confident	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.6	-36.7	179.6	66.2	0	0	0	0	111	T167 I168 F174 N175 S798 N829	T167-S171 WeakPolarHBondContact O-CB 3.28Å; T167-S171 PolarHBondContact O-N 2.89Å; T167-S171 PolarHBondContact O-OG 2.77Å; I168-S171 PolarHBondContact O-OG 2.93Å; S171-F174 PolarHBondContact O-N 3.01Å; S171-N175 VanDerWaalsContact O-CB 3.28Å; S171-N175 WeakPolarHBondContact O-CB 3.37Å; S171-N175 PolarHBondContact O-N 3.03Å; S171-N175 PolarHBondContact O-ND2 3.09Å; S171-N175 PolarHBondContact O-OD1 2.91Å; S171-S798 WeakPolarHBondContact CB-OG 3.41Å; S171-N829 PolarHBondContact OG-ND2 3.26Å
172	A	90.1	Very high	89.6	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67	-37.7	174.4	0	0	0	0	0	113.8	I168 V169 G170 M176 Y212 N826 F866	I168-A172 PolarHBondContact O-N 3.09Å; V169-A172 PolarHBondContact O-N 2.83Å; G170-A172 VanDerWaalsContact C-N 3.32Å; G170-A172 PolarHBondContact O-N 3.19Å; A172-M176 VanDerWaalsContact O-CB 3.23Å; A172-M176 WeakPolarHBondContact O-CB 3.27Å; A172-M176 PolarHBondContact O-N 2.71Å; A172-Y212 HydrophobicContact CB-CE1 4.25Å; A172-Y212 HydrophobicContact CB-CE2 4.16Å; A172-Y212 WeakPolarHBondContact CB-OH 3.41Å; A172-N826 WeakPolarHBondContact CA-OD1 3.28Å; A172-N826 HydrophobicContact CB-CB 4.26Å; A172-N826 PolarHBondContact O-ND2 2.97Å; A172-F866 HydrophobicContact CB-CE2 4.25Å; A172-F866 HydrophobicContact CB-CZ 4.04Å
173	A	91.8	Very high	90.1	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.2	-45.2	170.9	0	0	0	0	0	111.3	V169 G170 F177 F866 Y910	V169-A173 PolarHBondContact O-N 2.99Å; V169-A173 VanDerWaalsContact O-N 3.09Å; G170-A173 WeakPolarHBondContact O-CB 3.12Å; G170-A173 PolarHBondContact O-N 3.01Å; A173-F177 HydrophobicContact CB-CD2 4.1Å; A173-F177 HydrophobicContact CB-CE2 3.93Å; A173-F177 VanDerWaalsContact O-CB 3.26Å; A173-F177 WeakPolarHBondContact O-CB 3.16Å; A173-F177 WeakPolarHBondContact O-CD2 3.45Å; A173-F177 VanDerWaalsContact O-CG 3.26Å; A173-F177 WeakPolarHBondContact O-CG 3.43Å; A173-F177 PolarHBondContact O-N 3.46Å; A173-F866 HydrophobicContact CB-CD2 3.84Å; A173-F866 HydrophobicContact CB-CE2 4.3Å; A173-Y910 HydrophobicContact CB-CD1 3.7Å; A173-Y910 HydrophobicContact CB-CD2 4.45Å; A173-Y910 HydrophobicContact CB-CE1 3.52Å; A173-Y910 HydrophobicContact CB-CE2 4.31Å; A173-Y910 HydrophobicContact CB-CG 4.18Å
174	F	91.9	Very high	90.5	Very high	6 Å²	6	3.9 Å²	3.9	3%	0.026	2%	0.022	C	C	.	.	I	π-helix	trans	-63.2	-46.9	177	-174.1	-87.9	0	0	0	111.9	G170 S171 M176 F177 V178 I179 L795 T802 W907	G170-F174 PolarHBondContact O-N 3.46Å; S171-F174 PolarHBondContact O-N 3.01Å; F174-M176 PolarHBondContact O-N 3.38Å; F174-F177 PolarHBondContact O-N 2.76Å; F174-V178 HydrophobicContact CD1-CB 4.38Å; F174-V178 HydrophobicContact CD2-CB 3.94Å; F174-V178 HydrophobicContact CD2-CG1 4.31Å; F174-V178 HydrophobicContact CD2-CG2 3.73Å; F174-V178 HydrophobicContact CE1-CB 4.34Å; F174-V178 HydrophobicContact CE1-CG1 4.25Å; F174-V178 HydrophobicContact CE2-CB 3.87Å; F174-V178 HydrophobicContact CE2-CG1 3.72Å; F174-V178 HydrophobicContact CE2-CG2 3.88Å; F174-V178 HydrophobicContact CG-CB 4.2Å; F174-V178 HydrophobicContact CG-CG2 4.32Å; F174-V178 HydrophobicContact CZ-CB 4.09Å; F174-V178 HydrophobicContact CZ-CG1 3.69Å; F174-V178 WeakPolarHBondContact O-CA 3.38Å; F174-V178 VanDerWaalsContact O-CB 3.3Å; F174-V178 WeakPolarHBondContact O-CB 3.45Å; F174-V178 PolarHBondContact O-N 3.49Å; F174-I179 HydrophobicContact CD1-CD1 4.47Å; F174-I179 HydrophobicContact CD1-CG1 4.21Å; F174-I179 HydrophobicContact CE1-CD1 4.49Å; F174-I179 HydrophobicContact CE1-CG1 4.1Å; F174-I179 PolarHBondContact O-N 3.5Å; F174-L795 HydrophobicContact CD2-CB 4.37Å; F174-L795 HydrophobicContact CE2-CB 4.31Å; F174-L795 HydrophobicContact CE2-CD1 4.09Å; F174-L795 HydrophobicContact CE2-CG 4.02Å; F174-L795 HydrophobicContact CZ-CG 4.47Å; F174-T802 VanDerWaalsContact CE1-OG1 3.31Å; F174-T802 WeakPolarHBondContact CE1-OG1 3.4Å; F174-W907 AromaticContact CD2-CE2 3.87Å; F174-W907 AromaticContact CD2-CZ2 3.93Å; F174-W907 HydrophobicContact CD2-CZ2 3.93Å; F174-W907 AromaticContact CD2-NE1 3.7Å; F174-W907 HydrophobicContact CE2-CZ2 4.26Å
175	N	90.4	Very high	90.7	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	4%	0.035	C	C	.	.	I	π-helix	trans	-61.2	-47	178.4	-70.1	-12.8	0	0	0	111.6	S171 I179 S798 V822	S171-N175 VanDerWaalsContact O-CB 3.28Å; S171-N175 WeakPolarHBondContact O-CB 3.37Å; S171-N175 PolarHBondContact O-N 3.03Å; S171-N175 PolarHBondContact O-ND2 3.09Å; S171-N175 PolarHBondContact O-OD1 2.91Å; N175-I179 HydrophobicContact CB-CD1 4.18Å; N175-I179 WeakPolarHBondContact O-CB 3.35Å; N175-I179 WeakPolarHBondContact OD1-CD1 3.31Å; N175-S798 WeakPolarHBondContact OD1-CB 3.38Å; N175-S798 PolarHBondContact OD1-OG 2.76Å; N175-V822 HydrophobicContact CB-CG1 3.95Å; N175-V822 WeakPolarHBondContact O-CG1 3.45Å
176	M	89.3	Confident	90.7	Very high	6 Å²	6	7.7 Å²	7.7	3%	0.03	5%	0.047	C	C	.	.	I	π-helix	trans	-72.6	-35	-177	-162.4	65.8	178.9	0	0	112.8	A172 F174 I180 V822 T823 F866 V874	A172-M176 VanDerWaalsContact O-CB 3.23Å; A172-M176 WeakPolarHBondContact O-CB 3.27Å; A172-M176 PolarHBondContact O-N 2.71Å; F174-M176 PolarHBondContact O-N 3.38Å; M176-I180 HydrophobicContact CE-CD1 4.22Å; M176-I180 HydrophobicContact CG-CD1 4.46Å; M176-I180 WeakPolarHBondContact O-CB 3.44Å; M176-I180 WeakPolarHBondContact O-CD1 3.4Å; M176-I180 WeakPolarHBondContact O-CG1 3.24Å; M176-I180 HydrophobicContact SD-CD1 3.68Å; M176-V822 HydrophobicContact SD-CG1 4.35Å; M176-T823 HydrophobicContact CE-CG2 4.39Å; M176-T823 HydrophobicContact SD-CG2 4.27Å; M176-F866 HydrophobicContact CB-CE2 4.21Å; M176-V874 HydrophobicContact CE-CG2 3.37Å
177	F	92.6	Very high	90.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.044	C	C	.	.	I	π-helix	trans	-97.5	-56.6	-174.2	-53.9	-36.6	0	0	0	112.4	A173 F174 G181 F866 F869 A873 F903 L906 W907	A173-F177 HydrophobicContact CB-CD2 4.1Å; A173-F177 HydrophobicContact CB-CE2 3.93Å; A173-F177 VanDerWaalsContact O-CB 3.26Å; A173-F177 WeakPolarHBondContact O-CB 3.16Å; A173-F177 WeakPolarHBondContact O-CD2 3.45Å; A173-F177 VanDerWaalsContact O-CG 3.26Å; A173-F177 WeakPolarHBondContact O-CG 3.43Å; A173-F177 PolarHBondContact O-N 3.46Å; F174-F177 PolarHBondContact O-N 2.76Å; F177-G181 PolarHBondContact O-N 2.78Å; F177-F866 HydrophobicContact CE2-CD2 4.08Å; F177-F866 HydrophobicContact CE2-CE2 4.44Å; F177-F866 AromaticContact CZ-CD2 3.98Å; F177-F866 HydrophobicContact CZ-CD2 3.98Å; F177-F866 HydrophobicContact CZ-CE2 4.15Å; F177-F869 HydrophobicContact CE1-CB 3.98Å; F177-F869 HydrophobicContact CE2-CB 4.04Å; F177-F869 HydrophobicContact CE2-CD2 4.47Å; F177-F869 HydrophobicContact CZ-CB 3.38Å; F177-A873 HydrophobicContact CD1-CB 4.14Å; F177-A873 HydrophobicContact CE1-CB 3.92Å; F177-F903 WeakPolarHBondContact O-CB 3.41Å; F177-F903 WeakPolarHBondContact O-CD1 3.26Å; F177-L906 HydrophobicContact CG-CB 4.46Å; F177-W907 HydrophobicContact CB-CB 3.89Å; F177-W907 HydrophobicContact CD2-CB 4.28Å
178	V	92.4	Very high	90.3	Very high	12 Å²	12	10.1 Å²	10.1	7%	0.073	6%	0.062	C	C	.	.	I	π-helix	trans	-74	-50	-173.7	177.2	0	0	0	0	111.3	F174 G181 L182 F904 W907	F174-V178 HydrophobicContact CD1-CB 4.38Å; F174-V178 HydrophobicContact CD2-CB 3.94Å; F174-V178 HydrophobicContact CD2-CG1 4.31Å; F174-V178 HydrophobicContact CD2-CG2 3.73Å; F174-V178 HydrophobicContact CE1-CB 4.34Å; F174-V178 HydrophobicContact CE1-CG1 4.25Å; F174-V178 HydrophobicContact CE2-CB 3.87Å; F174-V178 HydrophobicContact CE2-CG1 3.72Å; F174-V178 HydrophobicContact CE2-CG2 3.88Å; F174-V178 HydrophobicContact CG-CB 4.2Å; F174-V178 HydrophobicContact CG-CG2 4.32Å; F174-V178 HydrophobicContact CZ-CB 4.09Å; F174-V178 HydrophobicContact CZ-CG1 3.69Å; F174-V178 WeakPolarHBondContact O-CA 3.38Å; F174-V178 VanDerWaalsContact O-CB 3.3Å; F174-V178 WeakPolarHBondContact O-CB 3.45Å; F174-V178 PolarHBondContact O-N 3.49Å; V178-G181 PolarHBondContact O-N 2.89Å; V178-L182 WeakPolarHBondContact O-CB 3.44Å; V178-L182 PolarHBondContact O-N 3.38Å; V178-F904 HydrophobicContact CB-CE1 4.46Å; V178-F904 HydrophobicContact CG1-CE1 3.75Å; V178-F904 HydrophobicContact CG1-CZ 4.23Å; V178-F904 HydrophobicContact CG2-CD1 4.47Å; V178-F904 HydrophobicContact CG2-CE1 4.41Å; V178-W907 HydrophobicContact CG2-CB 3.93Å; V178-W907 HydrophobicContact CG2-CD2 3.58Å; V178-W907 HydrophobicContact CG2-CE3 4.11Å; V178-W907 HydrophobicContact CG2-CG 3.48Å; V178-W907 VanDerWaalsContact CG2-CG 3.48Å
179	I	91.5	Very high	89.6	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-64.2	-47.7	-176.6	-58.5	-175.5	0	0	0	110.6	F174 N175 G181 L182 C183 D801 T802 V822	F174-I179 HydrophobicContact CD1-CD1 4.47Å; F174-I179 HydrophobicContact CD1-CG1 4.21Å; F174-I179 HydrophobicContact CE1-CD1 4.49Å; F174-I179 HydrophobicContact CE1-CG1 4.1Å; F174-I179 PolarHBondContact O-N 3.5Å; N175-I179 HydrophobicContact CB-CD1 4.18Å; N175-I179 WeakPolarHBondContact O-CB 3.35Å; N175-I179 WeakPolarHBondContact OD1-CD1 3.31Å; I179-G181 PolarHBondContact O-N 2.99Å; I179-L182 PolarHBondContact O-N 2.9Å; I179-C183 WeakPolarHBondContact O-CB 3.44Å; I179-C183 PolarHBondContact O-N 2.89Å; I179-C183 PolarHBondContact O-SG 2.83Å; I179-D801 HydrophobicContact CD1-CB 3.95Å; I179-T802 HydrophobicContact CG1-CG2 4.35Å; I179-T802 WeakPolarHBondContact CG1-OG1 3.3Å; I179-V822 HydrophobicContact CB-CG2 4.49Å; I179-V822 HydrophobicContact CG2-CG2 4.07Å
180	I	90.9	Very high	88.8	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-62.6	-44.7	176.6	-59.5	-174.6	0	0	0	110.4	M176 L182 C183 V184 I819 V822 L877 F903	M176-I180 HydrophobicContact CE-CD1 4.22Å; M176-I180 HydrophobicContact CG-CD1 4.46Å; M176-I180 WeakPolarHBondContact O-CB 3.44Å; M176-I180 WeakPolarHBondContact O-CD1 3.4Å; M176-I180 WeakPolarHBondContact O-CG1 3.24Å; M176-I180 HydrophobicContact SD-CD1 3.68Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 3.35Å; I180-C183 PolarHBondContact O-N 3.1Å; I180-V184 HydrophobicContact CG2-CG2 4.46Å; I180-V184 VanDerWaalsContact O-CG2 3.25Å; I180-V184 WeakPolarHBondContact O-CG2 3.4Å; I180-V184 PolarHBondContact O-N 3.26Å; I180-I819 HydrophobicContact CD1-CG2 4.27Å; I180-V822 HydrophobicContact CD1-CG1 4.24Å; I180-V822 HydrophobicContact CG1-CG1 4.34Å; I180-L877 HydrophobicContact CD1-CD1 4.15Å; I180-L877 HydrophobicContact CG2-CD1 4.22Å; I180-L877 HydrophobicContact CG2-CD2 3.9Å; I180-F903 HydrophobicContact CB-CD1 4.21Å; I180-F903 HydrophobicContact CB-CE1 4.07Å; I180-F903 HydrophobicContact CG2-CD1 4.2Å; I180-F903 HydrophobicContact CG2-CE1 3.73Å; I180-F903 HydrophobicContact CG2-CZ 4.29Å
181	G	91.6	Very high	88.6	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.1	-35.7	176.6	0	0	0	0	0	113.8	F177 V178 I179 S185 S900	F177-G181 PolarHBondContact O-N 2.78Å; V178-G181 PolarHBondContact O-N 2.89Å; I179-G181 PolarHBondContact O-N 2.99Å; G181-S185 PolarHBondContact O-N 2.94Å; G181-S900 WeakPolarHBondContact O-CB 3.12Å; G181-S900 PolarHBondContact O-OG 3.28Å
182	L	91.5	Very high	88.5	Confident	40 Å²	40	26.1 Å²	26.1	21%	0.209	16%	0.159	C	C	.	.	H	α-helix	trans	-72.8	-47	173.2	-174.8	71	0	0	0	111.9	V178 I179 I180 V184 S185 V186 T802 K806	V178-L182 WeakPolarHBondContact O-CB 3.44Å; V178-L182 PolarHBondContact O-N 3.38Å; I179-L182 PolarHBondContact O-N 2.9Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 3.35Å; L182-V184 PolarHBondContact O-N 2.82Å; L182-S185 PolarHBondContact O-N 3.11Å; L182-S185 PolarHBondContact O-OG 2.81Å; L182-V186 HydrophobicContact CD1-CG2 3.94Å; L182-V186 HydrophobicContact CG-CG2 4.02Å; L182-V186 VanDerWaalsContact O-CG2 3.28Å; L182-V186 WeakPolarHBondContact O-CG2 3.36Å; L182-V186 PolarHBondContact O-N 2.98Å; L182-T802 HydrophobicContact CD2-CG2 3.39Å; L182-K806 HydrophobicContact CD2-CB 4.33Å; L182-K806 HydrophobicContact CD2-CD 4.45Å
183	C	90.8	Very high	88.4	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-34.1	177.6	-67.1	0	0	0	0	111.4	I179 I180 I187 S805 A809 L889	I179-C183 WeakPolarHBondContact O-CB 3.44Å; I179-C183 PolarHBondContact O-N 2.89Å; I179-C183 PolarHBondContact O-SG 2.83Å; I180-C183 PolarHBondContact O-N 3.1Å; C183-I187 WeakPolarHBondContact O-CG1 3.41Å; C183-S805 PolarHBondContact SG-O 2.96Å; C183-A809 HydrophobicContact CB-CB 4.05Å; C183-L889 HydrophobicContact CB-CD1 4.22Å; C183-L889 HydrophobicContact CB-CD2 3.91Å
184	V	90.6	Very high	88.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.2	-41.8	173.8	171.1	0	0	0	0	111.9	I180 L182 L889 R896 T899	I180-V184 HydrophobicContact CG2-CG2 4.46Å; I180-V184 VanDerWaalsContact O-CG2 3.25Å; I180-V184 WeakPolarHBondContact O-CG2 3.4Å; I180-V184 PolarHBondContact O-N 3.26Å; L182-V184 PolarHBondContact O-N 2.82Å; V184-L889 HydrophobicContact CG2-CD2 3.56Å; V184-R896 HydrophobicContact CG1-CG 3.92Å; V184-R896 VanDerWaalsContact O-CD 3.22Å; V184-R896 WeakPolarHBondContact O-CD 3.21Å; V184-R896 WeakPolarHBondContact O-CG 3.47Å; V184-T899 HydrophobicContact CG1-CG2 4.45Å
185	S	89.4	Confident	87.7	Confident	42 Å²	42	33 Å²	33	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-78.7	-28.1	-172.3	71.2	0	0	0	0	114	G181 L182	G181-S185 PolarHBondContact O-N 2.94Å; L182-S185 PolarHBondContact O-N 3.11Å; L182-S185 PolarHBondContact O-OG 2.81Å
186	V	89	Confident	87.3	Confident	43 Å²	43	38 Å²	38	26%	0.261	21%	0.21	S	C	.	.	H	α-helix	trans	-79.3	-24.9	-173.1	175	0	0	0	0	113.2	L182 K806 V810	L182-V186 HydrophobicContact CD1-CG2 3.94Å; L182-V186 HydrophobicContact CG-CG2 4.02Å; L182-V186 VanDerWaalsContact O-CG2 3.28Å; L182-V186 WeakPolarHBondContact O-CG2 3.36Å; L182-V186 PolarHBondContact O-N 2.98Å; V186-K806 HydrophobicContact CB-CG 4.36Å; V186-K806 HydrophobicContact CG1-CD 4.46Å; V186-K806 HydrophobicContact CG1-CG 3.92Å; V186-K806 HydrophobicContact CG2-CD 4.32Å; V186-K806 HydrophobicContact CG2-CG 4.07Å; V186-V810 HydrophobicContact CG1-CG2 3.4Å
187	I	87.2	Confident	86.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-58.7	131.8	177.9	-58.5	-59.8	0	0	0	110.8	C183 E191 R193 A809 L889 R896	C183-I187 WeakPolarHBondContact O-CG1 3.41Å; I187-E191 HydrophobicContact CG2-CB 3.69Å; I187-E191 WeakPolarHBondContact CG2-O 3.07Å; I187-R193 HydrophobicContact CD1-CG 3.85Å; I187-R193 HydrophobicContact CG1-CG 4.5Å; I187-A809 HydrophobicContact CD1-CB 4.11Å; I187-A809 WeakPolarHBondContact CD1-O 3.13Å; I187-L889 HydrophobicContact CG1-CB 4.07Å; I187-R896 PolarHBondContact O-NH1 3.23Å
188	P	83.1	Confident	85.9	Confident	57 Å²	57	43.7 Å²	43.7	37%	0.37	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-53.6	160.3	176.7	-26.8	34.9	0	0	0	114.4	G190 E191	P188-G190 PolarHBondContact O-N 2.78Å; P188-E191 PolarHBondContact O-N 3.13Å
189	Q	77.2	Confident	85.3	Confident	136 Å²	136	48 Å²	48	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	129	-178.4	-65.3	-175.5	30.7	0	0	110.8	E191	Q189-E191 VanDerWaalsContact C-N 3.33Å
190	G	73.3	Confident	84.7	Confident	71 Å²	71	49.2 Å²	49.2	73%	0.732	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-17.6	179.1	0	0	0	0	0	113.9	P188	P188-G190 PolarHBondContact O-N 2.78Å
191	E	86.1	Confident	84.3	Confident	78 Å²	78	49.5 Å²	49.5	36%	0.364	26%	0.261	S	S	.	.			trans	-87.7	144.7	176.2	-70.4	-176	-134.8	0	0	112.2	I187 P188 Q189 R193 G891	I187-E191 HydrophobicContact CG2-CB 3.69Å; I187-E191 WeakPolarHBondContact CG2-O 3.07Å; P188-E191 PolarHBondContact O-N 3.13Å; Q189-E191 VanDerWaalsContact C-N 3.33Å; E191-R193 IonicContact OE2-CZ 2.69Å; E191-R193 IonicContact OE2-NH1 2.89Å; E191-R193 PolarHBondContact OE2-NH1 3.3Å; E191-R193 IonicContact OE2-NH2 3.08Å; E191-R193 PolarHBondContact OE2-NH2 2.85Å; E191-G891 PolarHBondContact O-N 2.67Å
192	V	87.6	Confident	84	Confident	53 Å²	53	54.4 Å²	54.4	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.8	174.4	-68.3	0	0	0	0	109.3	L889	V192-L889 WeakPolarHBondContact CA-O 3.48Å
193	R	87.9	Confident	83.7	Confident	34 Å²	34	54.3 Å²	54.3	13%	0.128	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138	170.2	-50.7	-68.3	-171	-111.8	-0.9	109.2	I187 E191 D812 T813 A815 E888 L889	I187-R193 HydrophobicContact CD1-CG 3.85Å; I187-R193 HydrophobicContact CG1-CG 4.5Å; E191-R193 IonicContact OE2-CZ 2.69Å; E191-R193 IonicContact OE2-NH1 2.89Å; E191-R193 PolarHBondContact OE2-NH1 3.3Å; E191-R193 IonicContact OE2-NH2 3.08Å; E191-R193 PolarHBondContact OE2-NH2 2.85Å; R193-D812 VanDerWaalsContact CD-O 3.29Å; R193-D812 WeakPolarHBondContact CD-O 3.38Å; R193-D812 PolarHBondContact NE-O 3.48Å; R193-T813 WeakPolarHBondContact CD-O 3.17Å; R193-A815 HydrophobicContact CB-CB 4.14Å; R193-E888 PolarHBondContact O-N 3.06Å; R193-E888 VanDerWaalsContact O-N 3.16Å; R193-L889 HydrophobicContact CB-CB 4.11Å; R193-L889 HydrophobicContact CB-CD1 4.41Å; R193-L889 PolarHBondContact N-O 3.18Å; R193-L889 VanDerWaalsContact N-O 3.1Å; R193-L889 PolarHBondContact O-N 3.06Å
194	K	87.2	Confident	83.4	Confident	109 Å²	109	54.6 Å²	54.6	47%	0.474	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-120.4	146.7	179	-67	176.1	-178.3	169.1	0	109.5	K196 Y814 A815 G886	K194-K196 PolarHBondContact O-N 3.14Å; K194-Y814 WeakPolarHBondContact O-CA 3.28Å; K194-Y814 WeakPolarHBondContact O-CB 3.45Å; K194-A815 PolarHBondContact O-N 3.38Å; K194-G886 WeakPolarHBondContact CE-O 3.41Å
195	V	83.3	Confident	83.1	Confident	7 Å²	7	55 Å²	55	4%	0.042	29%	0.289	C	S	.	.			trans	-71.7	122.8	167.9	174.9	0	0	0	0	108.9	L198 F201 A815 D816 I819 E888	V195-L198 HydrophobicContact CB-CD2 4.29Å; V195-L198 HydrophobicContact CG1-CD2 4.28Å; V195-F201 HydrophobicContact CG1-CB 3.92Å; V195-F201 HydrophobicContact CG1-CG 4.19Å; V195-A815 HydrophobicContact CG2-CB 3.88Å; V195-D816 WeakPolarHBondContact CG1-OD1 3.25Å; V195-I819 HydrophobicContact CG2-CD1 4.42Å; V195-E888 WeakPolarHBondContact CB-OE2 3.43Å; V195-E888 VanDerWaalsContact CG2-OE2 3.29Å; V195-E888 WeakPolarHBondContact CG2-OE2 3.31Å; V195-E888 PolarHBondContact N-OE2 3.47Å
196	K	80.4	Confident	83.1	Confident	107 Å²	107	54.9 Å²	54.9	47%	0.465	29%	0.294	S	S	.	.	S	Bend	trans	-78	-45.9	179.2	-175.7	-178.7	176.7	-172.5	0	111	K194 L198 Y814 D816	K194-K196 PolarHBondContact O-N 3.14Å; K196-L198 PolarHBondContact O-N 2.98Å; K196-Y814 HydrophobicContact CB-CD1 3.82Å; K196-Y814 HydrophobicContact CB-CE1 4.2Å; K196-Y814 HydrophobicContact CB-CG 4.1Å; K196-Y814 HydrophobicContact CD-CD1 4.47Å; K196-Y814 HydrophobicContact CD-CD2 4.27Å; K196-Y814 HydrophobicContact CD-CE1 4.29Å; K196-Y814 HydrophobicContact CD-CE2 4.11Å; K196-Y814 HydrophobicContact CD-CG 4.46Å; K196-Y814 HydrophobicContact CG-CD1 4.45Å; K196-Y814 HydrophobicContact CG-CE1 4.36Å; K196-D816 WeakPolarHBondContact CB-OD2 3.1Å; K196-D816 PolarHBondContact N-OD1 3.36Å; K196-D816 PolarHBondContact N-OD2 3.05Å
197	H	74.6	Confident	83.2	Confident	83 Å²	83	54.9 Å²	54.9	38%	0.384	29%	0.29	S	S	.	.			trans	-96.7	63.5	-172.8	-65.4	-94.3	0	0	0	112.8	R199 V200 F201 D816	H197-R199 PolarHBondContact O-N 3.29Å; H197-R199 VanDerWaalsContact O-N 3.09Å; H197-V200 HydrophobicContact CB-CB 4.36Å; H197-V200 HydrophobicContact CB-CG2 4.39Å; H197-V200 PolarHBondContact O-N 2.8Å; H197-V200 VanDerWaalsContact O-N 3.13Å; H197-F201 PolarHBondContact O-N 3.05Å; H197-D816 WeakPolarHBondContact CB-OD1 3.49Å; H197-D816 IonicContact CD2-OD1 3.05Å; H197-D816 IonicContact CG-OD1 3.44Å; H197-D816 PolarHBondContact N-OD1 3.45Å
198	L	78.3	Confident	83.3	Confident	42 Å²	42	55.2 Å²	55.2	22%	0.22	29%	0.292	C	S	.	.	H	α-helix	trans	-55	-35.1	-174.4	-59.8	162	0	0	0	114.9	V195 K196 F201 F202 R881	V195-L198 HydrophobicContact CB-CD2 4.29Å; V195-L198 HydrophobicContact CG1-CD2 4.28Å; K196-L198 PolarHBondContact O-N 2.98Å; L198-F201 PolarHBondContact O-N 3.36Å; L198-F202 HydrophobicContact CB-CD2 4.4Å; L198-F202 HydrophobicContact CB-CE2 4.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.15Å; L198-F202 WeakPolarHBondContact O-CG 2.8Å; L198-F202 PolarHBondContact O-N 3.1Å; L198-R881 VanDerWaalsContact CD1-CZ 3.46Å; L198-R881 VanDerWaalsContact CD2-NH1 3.25Å
199	R	80.2	Confident	83.5	Confident	104 Å²	104	53.4 Å²	53.4	39%	0.392	28%	0.279	S	S	.	.	H	α-helix	trans	-67	-46.2	-178.7	-68.6	178	-66.3	171.7	5.2	111.2	H197 F201 F202 V203 R252	H197-R199 PolarHBondContact O-N 3.29Å; H197-R199 VanDerWaalsContact O-N 3.09Å; R199-F201 VanDerWaalsContact C-N 3.31Å; R199-F202 PolarHBondContact O-N 3.35Å; R199-V203 WeakPolarHBondContact O-CG2 3.2Å; R199-V203 PolarHBondContact O-N 3.04Å; R199-V203 VanDerWaalsContact O-N 3.13Å; R199-R252 VanDerWaalsContact NH2-NE 3.2Å
200	V	79.4	Confident	84.3	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-45.9	176.1	-178.6	0	0	0	0	108.5	T130 H197 F202 V203 T204 D250	T130-V200 HydrophobicContact CG2-CG1 3.93Å; T130-V200 HydrophobicContact CG2-CG2 4.49Å; H197-V200 HydrophobicContact CB-CB 4.36Å; H197-V200 HydrophobicContact CB-CG2 4.39Å; H197-V200 PolarHBondContact O-N 2.8Å; H197-V200 VanDerWaalsContact O-N 3.13Å; V200-F202 PolarHBondContact O-N 3.44Å; V200-V203 PolarHBondContact O-N 3.33Å; V200-V203 VanDerWaalsContact O-N 3.15Å; V200-T204 HydrophobicContact CG1-CG2 4.13Å; V200-T204 WeakPolarHBondContact O-CG2 3.39Å; V200-T204 PolarHBondContact O-N 2.74Å; V200-T204 PolarHBondContact O-OG1 3.48Å; V200-T204 VanDerWaalsContact O-OG1 3.14Å; V200-D250 HydrophobicContact CG2-CB 4.2Å
201	F	82.8	Confident	85.2	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-56.3	-45.1	175.9	176	-103.9	0	0	0	113.8	V195 H197 L198 R199 V203 T204 A205 I819 T823	V195-F201 HydrophobicContact CG1-CB 3.92Å; V195-F201 HydrophobicContact CG1-CG 4.19Å; H197-F201 PolarHBondContact O-N 3.05Å; L198-F201 PolarHBondContact O-N 3.36Å; R199-F201 VanDerWaalsContact C-N 3.31Å; F201-V203 VanDerWaalsContact C-N 3.34Å; F201-V203 PolarHBondContact O-N 3.22Å; F201-T204 WeakPolarHBondContact CA-OG1 3.42Å; F201-T204 PolarHBondContact O-N 3.01Å; F201-T204 PolarHBondContact O-OG1 3.3Å; F201-T204 VanDerWaalsContact O-OG1 3.14Å; F201-A205 HydrophobicContact CE2-CB 4.4Å; F201-A205 HydrophobicContact CZ-CB 4.35Å; F201-A205 WeakPolarHBondContact O-CB 3.08Å; F201-A205 PolarHBondContact O-N 3.11Å; F201-I819 HydrophobicContact CD2-CG2 4.47Å; F201-I819 HydrophobicContact CE2-CG2 3.62Å; F201-I819 HydrophobicContact CZ-CG2 4.28Å; F201-T823 HydrophobicContact CE2-CG2 4.12Å
202	F	84.8	Confident	85.4	Confident	103 Å²	103	43 Å²	43	45%	0.452	21%	0.21	S	C	.	.	H	α-helix	trans	-66	-37	177.7	-77.5	-59.6	0	0	0	112.6	L198 R199 V200 G206 L878	L198-F202 HydrophobicContact CB-CD2 4.4Å; L198-F202 HydrophobicContact CB-CE2 4.23Å; L198-F202 WeakPolarHBondContact O-CD2 3.15Å; L198-F202 WeakPolarHBondContact O-CG 2.8Å; L198-F202 PolarHBondContact O-N 3.1Å; R199-F202 PolarHBondContact O-N 3.35Å; V200-F202 PolarHBondContact O-N 3.44Å; F202-G206 PolarHBondContact O-N 3.37Å; F202-L878 HydrophobicContact CE1-CD1 4.3Å; F202-L878 HydrophobicContact CE1-CD2 3.82Å; F202-L878 HydrophobicContact CZ-CD2 3.95Å
203	V	85.7	Confident	85.6	Confident	38 Å²	38	43.4 Å²	43.4	23%	0.23	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-50.3	175.9	173.1	0	0	0	0	109.9	R199 V200 F201 G206 W207 L245 A249	R199-V203 WeakPolarHBondContact O-CG2 3.2Å; R199-V203 PolarHBondContact O-N 3.04Å; R199-V203 VanDerWaalsContact O-N 3.13Å; V200-V203 PolarHBondContact O-N 3.33Å; V200-V203 VanDerWaalsContact O-N 3.15Å; F201-V203 VanDerWaalsContact C-N 3.34Å; F201-V203 PolarHBondContact O-N 3.22Å; V203-G206 PolarHBondContact O-N 2.59Å; V203-W207 VanDerWaalsContact O-CD1 3.24Å; V203-W207 PolarHBondContact O-N 2.92Å; V203-L245 HydrophobicContact CG1-CB 4.32Å; V203-A249 HydrophobicContact CG2-CB 3.99Å
204	T	83.7	Confident	85.9	Confident	8 Å²	8	42.7 Å²	42.7	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-43.2	-178.6	58	0	0	0	0	112	L134 V200 F201 G206 W207 S208 T823	L134-T204 HydrophobicContact CD1-CG2 3.86Å; L134-T204 HydrophobicContact CD2-CG2 4.35Å; V200-T204 HydrophobicContact CG1-CG2 4.13Å; V200-T204 WeakPolarHBondContact O-CG2 3.39Å; V200-T204 PolarHBondContact O-N 2.74Å; V200-T204 PolarHBondContact O-OG1 3.48Å; V200-T204 VanDerWaalsContact O-OG1 3.14Å; F201-T204 WeakPolarHBondContact CA-OG1 3.42Å; F201-T204 PolarHBondContact O-N 3.01Å; F201-T204 PolarHBondContact O-OG1 3.3Å; F201-T204 VanDerWaalsContact O-OG1 3.14Å; T204-G206 PolarHBondContact O-N 2.79Å; T204-W207 PolarHBondContact O-N 2.98Å; T204-S208 VanDerWaalsContact O-CB 3.24Å; T204-S208 WeakPolarHBondContact O-CB 3.39Å; T204-S208 PolarHBondContact O-N 3.28Å; T204-T823 PolarHBondContact OG1-OG1 2.95Å
205	A	85	Confident	86	Confident	8 Å²	8	37.5 Å²	37.5	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-38.6	175.5	0	0	0	0	0	112	F201 S208 I209 T823	F201-A205 HydrophobicContact CE2-CB 4.4Å; F201-A205 HydrophobicContact CZ-CB 4.35Å; F201-A205 WeakPolarHBondContact O-CB 3.08Å; F201-A205 PolarHBondContact O-N 3.11Å; A205-S208 WeakPolarHBondContact O-CB 3.32Å; A205-S208 PolarHBondContact O-N 3.09Å; A205-I209 PolarHBondContact O-N 3.22Å; A205-I209 VanDerWaalsContact O-N 3.1Å; A205-T823 HydrophobicContact CB-CG2 4.47Å
206	G	88.6	Confident	86.3	Confident	40 Å²	40	40.6 Å²	40.6	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-48	175	0	0	0	0	0	112.3	F202 V203 T204 S208 I209 F210	F202-G206 PolarHBondContact O-N 3.37Å; V203-G206 PolarHBondContact O-N 2.59Å; T204-G206 PolarHBondContact O-N 2.79Å; G206-S208 VanDerWaalsContact C-N 3.33Å; G206-S208 PolarHBondContact O-N 2.95Å; G206-I209 PolarHBondContact O-N 3.45Å; G206-F210 VanDerWaalsContact O-CB 3.28Å; G206-F210 WeakPolarHBondContact O-CB 3.4Å; G206-F210 PolarHBondContact O-N 3.09Å
207	W	90.8	Very high	86.8	Confident	43 Å²	43	37.8 Å²	37.8	16%	0.163	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-33.5	176.1	-83.6	102	0	0	0	112.9	V203 T204 F210 A211 F238 I241 C242 L245 F831	V203-W207 VanDerWaalsContact O-CD1 3.24Å; V203-W207 PolarHBondContact O-N 2.92Å; T204-W207 PolarHBondContact O-N 2.98Å; W207-F210 AromaticContact CE3-CD1 3.64Å; W207-F210 HydrophobicContact CE3-CD1 3.64Å; W207-F210 HydrophobicContact CE3-CE1 4.19Å; W207-F210 HydrophobicContact CH2-CD1 4.46Å; W207-F210 HydrophobicContact CH2-CE1 4.34Å; W207-F210 AromaticContact CZ3-CD1 3.56Å; W207-F210 HydrophobicContact CZ3-CD1 3.56Å; W207-F210 AromaticContact CZ3-CE1 3.62Å; W207-F210 HydrophobicContact CZ3-CE1 3.62Å; W207-F210 PolarHBondContact O-N 3.47Å; W207-A211 WeakPolarHBondContact O-CB 3.49Å; W207-A211 PolarHBondContact O-N 2.96Å; W207-F238 AromaticContact CH2-CD1 3.89Å; W207-F238 HydrophobicContact CH2-CD1 3.89Å; W207-F238 HydrophobicContact CH2-CE1 4.39Å; W207-F238 HydrophobicContact CZ3-CB 3.99Å; W207-F238 AromaticContact CZ3-CD1 3.72Å; W207-F238 HydrophobicContact CZ3-CD1 3.72Å; W207-F238 HydrophobicContact CZ3-CE1 4.41Å; W207-F238 AromaticContact CZ3-CG 3.94Å; W207-F238 HydrophobicContact CZ3-CG 3.94Å; W207-I241 HydrophobicContact CH2-CG2 3.83Å; W207-I241 HydrophobicContact CZ2-CG2 3.86Å; W207-C242 HydrophobicContact CB-CB 4.45Å; W207-C242 VanDerWaalsContact CB-SG 3.55Å; W207-C242 HydrophobicContact CD2-CB 4Å; W207-C242 HydrophobicContact CE3-CB 4.23Å; W207-C242 HydrophobicContact CG-CB 4.07Å; W207-L245 HydrophobicContact CZ2-CD1 3.45Å; W207-L245 VanDerWaalsContact CZ2-CD1 3.45Å; W207-F831 AromaticContact CE3-CE2 3.75Å; W207-F831 HydrophobicContact CE3-CE2 3.75Å; W207-F831 AromaticContact CE3-CZ 3.63Å; W207-F831 HydrophobicContact CE3-CZ 3.63Å; W207-F831 HydrophobicContact CZ3-CE2 4.43Å; W207-F831 HydrophobicContact CZ3-CZ 4.1Å
208	S	88.6	Confident	87.6	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-52.1	174	-165.9	0	0	0	0	111.4	T204 A205 G206 A211 Y212 T823 N826	T204-S208 VanDerWaalsContact O-CB 3.24Å; T204-S208 WeakPolarHBondContact O-CB 3.39Å; T204-S208 PolarHBondContact O-N 3.28Å; A205-S208 WeakPolarHBondContact O-CB 3.32Å; A205-S208 PolarHBondContact O-N 3.09Å; G206-S208 VanDerWaalsContact C-N 3.33Å; G206-S208 PolarHBondContact O-N 2.95Å; S208-A211 WeakPolarHBondContact O-CB 3.34Å; S208-A211 PolarHBondContact O-N 3.21Å; S208-Y212 VanDerWaalsContact O-CD2 3.3Å; S208-Y212 WeakPolarHBondContact O-CD2 3.47Å; S208-T823 VanDerWaalsContact CB-O 3.29Å; S208-T823 WeakPolarHBondContact CB-O 3.24Å; S208-T823 PolarHBondContact OG-O 2.87Å; S208-N826 WeakPolarHBondContact OG-CB 3.39Å
209	I	89	Confident	88	Confident	20 Å²	20	31.9 Å²	31.9	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-41.9	177.3	-63.3	172	0	0	0	111	A205 G206 A211 Y212 I213 F871 V874	A205-I209 PolarHBondContact O-N 3.22Å; A205-I209 VanDerWaalsContact O-N 3.1Å; G206-I209 PolarHBondContact O-N 3.45Å; I209-A211 PolarHBondContact O-N 2.91Å; I209-Y212 PolarHBondContact O-N 3.23Å; I209-I213 HydrophobicContact CG2-CD1 3.82Å; I209-I213 HydrophobicContact CG2-CG1 4.34Å; I209-I213 WeakPolarHBondContact O-CG1 3.48Å; I209-I213 PolarHBondContact O-N 3.47Å; I209-I213 VanDerWaalsContact O-N 3.12Å; I209-F871 HydrophobicContact CD1-CD1 4.21Å; I209-F871 HydrophobicContact CD1-CE1 4.17Å; I209-F871 HydrophobicContact CG2-CD2 4.22Å; I209-F871 HydrophobicContact CG2-CE1 4.28Å; I209-F871 HydrophobicContact CG2-CE2 3.56Å; I209-F871 HydrophobicContact CG2-CZ 3.6Å; I209-V874 HydrophobicContact CD1-CG2 4.23Å
210	F	92.6	Very high	88.2	Confident	66 Å²	66	28.9 Å²	28.9	29%	0.289	15%	0.154	S	C	.	.	H	α-helix	trans	-58.3	-36.4	178	175	-104.8	0	0	0	112.2	G206 W207 Y212 I213 W214 F238 F831	G206-F210 VanDerWaalsContact O-CB 3.28Å; G206-F210 WeakPolarHBondContact O-CB 3.4Å; G206-F210 PolarHBondContact O-N 3.09Å; W207-F210 AromaticContact CE3-CD1 3.64Å; W207-F210 HydrophobicContact CE3-CD1 3.64Å; W207-F210 HydrophobicContact CE3-CE1 4.19Å; W207-F210 HydrophobicContact CH2-CD1 4.46Å; W207-F210 HydrophobicContact CH2-CE1 4.34Å; W207-F210 AromaticContact CZ3-CD1 3.56Å; W207-F210 HydrophobicContact CZ3-CD1 3.56Å; W207-F210 AromaticContact CZ3-CE1 3.62Å; W207-F210 HydrophobicContact CZ3-CE1 3.62Å; W207-F210 PolarHBondContact O-N 3.47Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 2.91Å; F210-I213 PolarHBondContact O-N 3.3Å; F210-W214 HydrophobicContact CE1-CB 4.35Å; F210-W214 HydrophobicContact CZ-CB 4.31Å; F210-W214 HydrophobicContact CZ-CE3 4.18Å; F210-W214 VanDerWaalsContact O-CB 3.28Å; F210-W214 WeakPolarHBondContact O-CB 3.42Å; F210-W214 PolarHBondContact O-N 3.34Å; F210-F238 HydrophobicContact CE1-CD2 4.12Å; F210-F238 HydrophobicContact CE1-CE1 4.33Å; F210-F238 AromaticContact CE1-CE2 3.89Å; F210-F238 HydrophobicContact CE1-CE2 3.89Å; F210-F238 HydrophobicContact CE1-CG 4.43Å; F210-F238 HydrophobicContact CE1-CZ 4.01Å; F210-F238 HydrophobicContact CZ-CE2 4.18Å; F210-F238 HydrophobicContact CZ-CZ 4.1Å; F210-F831 HydrophobicContact CD1-CZ 4.14Å
211	A	92.1	Very high	88.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.6	-43.1	178.8	0	0	0	0	0	112.4	W207 S208 I209 W214 L215 V830 F831	W207-A211 WeakPolarHBondContact O-CB 3.49Å; W207-A211 PolarHBondContact O-N 2.96Å; S208-A211 WeakPolarHBondContact O-CB 3.34Å; S208-A211 PolarHBondContact O-N 3.21Å; I209-A211 PolarHBondContact O-N 2.91Å; A211-W214 PolarHBondContact O-N 3.33Å; A211-L215 WeakPolarHBondContact O-CB 3.4Å; A211-L215 PolarHBondContact O-N 3.35Å; A211-V830 HydrophobicContact CB-CB 3.85Å; A211-V830 HydrophobicContact CB-CG1 4.03Å; A211-V830 HydrophobicContact CB-CG2 4.18Å; A211-F831 HydrophobicContact CB-CD1 4.21Å; A211-F831 HydrophobicContact CB-CE1 3.53Å; A211-F831 HydrophobicContact CB-CE2 4Å; A211-F831 HydrophobicContact CB-CZ 3.38Å
212	Y	91.3	Very high	88.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-76.6	-34	178.9	-70.2	-87.3	0	0	0	112.7	I168 V169 A172 S208 I209 F210 W214 L215 Y216 N826 V830 V863 F866	I168-Y212 PolarHBondContact O-OH 3.38Å; V169-Y212 HydrophobicContact CB-CE1 4.37Å; V169-Y212 HydrophobicContact CG1-CD1 4.49Å; V169-Y212 HydrophobicContact CG1-CE1 4.24Å; V169-Y212 HydrophobicContact CG2-CE1 4.07Å; A172-Y212 HydrophobicContact CB-CE1 4.25Å; A172-Y212 HydrophobicContact CB-CE2 4.16Å; A172-Y212 WeakPolarHBondContact CB-OH 3.41Å; S208-Y212 VanDerWaalsContact O-CD2 3.3Å; S208-Y212 WeakPolarHBondContact O-CD2 3.47Å; I209-Y212 PolarHBondContact O-N 3.23Å; F210-Y212 VanDerWaalsContact C-N 3.3Å; F210-Y212 PolarHBondContact O-N 2.91Å; Y212-W214 VanDerWaalsContact C-N 3.32Å; Y212-L215 HydrophobicContact CD1-CD2 4.49Å; Y212-L215 PolarHBondContact O-N 3.25Å; Y212-Y216 PolarHBondContact O-N 3.21Å; Y212-N826 HydrophobicContact CE2-CB 4.45Å; Y212-N826 PolarHBondContact OH-O 3.28Å; Y212-V830 HydrophobicContact CD1-CG2 4.2Å; Y212-V830 HydrophobicContact CD2-CG2 4.24Å; Y212-V830 HydrophobicContact CE1-CG2 3.7Å; Y212-V830 HydrophobicContact CE2-CG2 3.75Å; Y212-V830 HydrophobicContact CG-CG2 4.43Å; Y212-V830 VanDerWaalsContact CZ-CG2 3.43Å; Y212-V863 HydrophobicContact CD1-CG1 4.46Å; Y212-V863 WeakPolarHBondContact O-CG1 3.5Å; Y212-F866 AromaticContact CD1-CD1 3.72Å; Y212-F866 HydrophobicContact CD1-CD1 3.72Å; Y212-F866 AromaticContact CD1-CE1 3.92Å; Y212-F866 HydrophobicContact CD1-CE1 3.92Å; Y212-F866 AromaticContact CD2-CD1 4Å; Y212-F866 HydrophobicContact CD2-CD1 4Å; Y212-F866 AromaticContact CD2-CE1 3.39Å; Y212-F866 HydrophobicContact CD2-CE1 3.39Å; Y212-F866 HydrophobicContact CD2-CZ 4.36Å; Y212-F866 HydrophobicContact CE1-CD1 4.17Å; Y212-F866 HydrophobicContact CE1-CE1 4.14Å; Y212-F866 HydrophobicContact CE2-CD1 4.43Å; Y212-F866 AromaticContact CE2-CE1 3.65Å; Y212-F866 HydrophobicContact CE2-CE1 3.65Å; Y212-F866 HydrophobicContact CE2-CZ 4.25Å; Y212-F866 AromaticContact CG-CD1 3.64Å; Y212-F866 HydrophobicContact CG-CD1 3.64Å; Y212-F866 AromaticContact CG-CE1 3.55Å; Y212-F866 HydrophobicContact CG-CE1 3.55Å
213	I	91.6	Very high	89	Confident	61 Å²	61	31.5 Å²	31.5	31%	0.313	17%	0.171	S	C	.	.	H	α-helix	trans	-62.6	-43.3	170.3	-64.8	171.8	0	0	0	110.1	I209 F210 Y216 M217 T867 F871	I209-I213 HydrophobicContact CG2-CD1 3.82Å; I209-I213 HydrophobicContact CG2-CG1 4.34Å; I209-I213 WeakPolarHBondContact O-CG1 3.48Å; I209-I213 PolarHBondContact O-N 3.47Å; I209-I213 VanDerWaalsContact O-N 3.12Å; F210-I213 PolarHBondContact O-N 3.3Å; I213-Y216 WeakPolarHBondContact O-CB 3.41Å; I213-Y216 PolarHBondContact O-N 3.38Å; I213-M217 WeakPolarHBondContact O-CG 3.4Å; I213-M217 PolarHBondContact O-N 2.72Å; I213-T867 HydrophobicContact CG1-CG2 4.12Å; I213-F871 HydrophobicContact CD1-CE2 4.2Å; I213-F871 HydrophobicContact CD1-CZ 4.36Å
214	W	93.2	Very high	89	Confident	20 Å²	20	33.6 Å²	33.6	8%	0.076	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-45	176.2	177.2	-101.2	0	0	0	111.6	F210 A211 Y212 Y216 M217 I218 F222 W230 V234 T235 F238	F210-W214 HydrophobicContact CE1-CB 4.35Å; F210-W214 HydrophobicContact CZ-CB 4.31Å; F210-W214 HydrophobicContact CZ-CE3 4.18Å; F210-W214 VanDerWaalsContact O-CB 3.28Å; F210-W214 WeakPolarHBondContact O-CB 3.42Å; F210-W214 PolarHBondContact O-N 3.34Å; A211-W214 PolarHBondContact O-N 3.33Å; Y212-W214 VanDerWaalsContact C-N 3.32Å; W214-Y216 VanDerWaalsContact C-N 3.29Å; W214-Y216 PolarHBondContact O-N 3.03Å; W214-M217 HydrophobicContact CD2-CE 4.43Å; W214-M217 HydrophobicContact CE3-CE 3.4Å; W214-M217 VanDerWaalsContact CE3-CE 3.4Å; W214-M217 HydrophobicContact CZ3-CE 3.84Å; W214-M217 PolarHBondContact O-N 3.46Å; W214-I218 HydrophobicContact CD2-CG2 4.3Å; W214-I218 HydrophobicContact CH2-CG2 4.45Å; W214-I218 HydrophobicContact CZ2-CG2 3.72Å; W214-I218 PolarHBondContact O-N 3.36Å; W214-F222 HydrophobicContact CE3-CE2 4.5Å; W214-F222 AromaticContact CH2-CE2 3.95Å; W214-F222 HydrophobicContact CH2-CE2 3.95Å; W214-F222 AromaticContact CZ3-CE2 3.77Å; W214-F222 HydrophobicContact CZ3-CE2 3.77Å; W214-F222 HydrophobicContact CZ3-CZ 4.45Å; W214-W230 HydrophobicContact CH2-CZ3 4.08Å; W214-W230 HydrophobicContact CZ2-CZ3 4.38Å; W214-V234 HydrophobicContact CH2-CG1 3.99Å; W214-V234 HydrophobicContact CZ2-CB 4.22Å; W214-V234 HydrophobicContact CZ2-CG1 3.63Å; W214-T235 PolarHBondContact NE1-OG1 3.19Å; W214-F238 HydrophobicContact CD2-CD2 4.45Å; W214-F238 AromaticContact CD2-CE2 3.61Å; W214-F238 HydrophobicContact CD2-CE2 3.61Å; W214-F238 HydrophobicContact CD2-CZ 4.46Å; W214-F238 AromaticContact CE2-CE2 3.64Å; W214-F238 AromaticContact CE3-CE2 3.96Å; W214-F238 HydrophobicContact CE3-CE2 3.96Å; W214-F238 HydrophobicContact CE3-CZ 4.39Å; W214-F238 HydrophobicContact CG-CD2 4.4Å; W214-F238 AromaticContact CG-CE2 3.97Å; W214-F238 HydrophobicContact CG-CE2 3.97Å; W214-F238 HydrophobicContact CH2-CE2 4.4Å; W214-F238 HydrophobicContact CZ2-CE2 4.06Å; W214-F238 HydrophobicContact CZ3-CE2 4.35Å; W214-F238 HydrophobicContact CZ3-CZ 4.49Å; W214-F238 AromaticContact NE1-CE2 3.92Å
215	L	90.4	Very high	89	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.1	-41.9	174.4	-176.1	60.3	0	0	0	112	V169 A211 Y212 I218 L219 V830 I834 W838 V863	V169-L215 HydrophobicContact CG2-CD2 4.21Å; A211-L215 WeakPolarHBondContact O-CB 3.4Å; A211-L215 PolarHBondContact O-N 3.35Å; Y212-L215 HydrophobicContact CD1-CD2 4.49Å; Y212-L215 PolarHBondContact O-N 3.25Å; L215-I218 HydrophobicContact CD1-CD1 4.02Å; L215-I218 HydrophobicContact CD1-CG1 4.37Å; L215-I218 WeakPolarHBondContact O-CG1 3.49Å; L215-L219 HydrophobicContact CD1-CD1 4.2Å; L215-L219 HydrophobicContact CG-CD1 4.24Å; L215-L219 WeakPolarHBondContact O-CG 3.38Å; L215-L219 PolarHBondContact O-N 3.4Å; L215-V830 HydrophobicContact CB-CG1 4.33Å; L215-I834 HydrophobicContact CD1-CD1 3.98Å; L215-I834 HydrophobicContact CD1-CG2 4.1Å; L215-I834 HydrophobicContact CD2-CD1 3.64Å; L215-I834 HydrophobicContact CG-CD1 4.49Å; L215-W838 HydrophobicContact CD1-CH2 3.51Å; L215-W838 HydrophobicContact CD1-CZ3 3.58Å; L215-V863 HydrophobicContact CD2-CG2 3.73Å; L215-V863 HydrophobicContact CG-CG2 4.3Å
216	Y	89.9	Confident	89.2	Confident	71 Å²	71	38.7 Å²	38.7	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-63.5	-43.7	172.9	174.4	-99.5	0	0	0	112.2	Y212 I213 W214 I218 L219 A220 V221 T864	Y212-Y216 PolarHBondContact O-N 3.21Å; I213-Y216 WeakPolarHBondContact O-CB 3.41Å; I213-Y216 PolarHBondContact O-N 3.38Å; W214-Y216 VanDerWaalsContact C-N 3.29Å; W214-Y216 PolarHBondContact O-N 3.03Å; Y216-I218 PolarHBondContact O-N 3.46Å; Y216-L219 PolarHBondContact O-N 2.99Å; Y216-A220 HydrophobicContact CD2-CB 4.21Å; Y216-A220 HydrophobicContact CE2-CB 3.81Å; Y216-A220 WeakPolarHBondContact O-CB 3.31Å; Y216-A220 PolarHBondContact O-N 3.21Å; Y216-V221 HydrophobicContact CD1-CG2 4.5Å; Y216-V221 HydrophobicContact CE1-CG2 4.06Å; Y216-T864 HydrophobicContact CD2-CG2 3.36Å; Y216-T864 HydrophobicContact CE2-CG2 3.29Å; Y216-T864 HydrophobicContact CG-CG2 4.19Å
217	M	90.2	Very high	89.3	Confident	48 Å²	48	36.9 Å²	36.9	24%	0.236	19%	0.194	C	C	.	.	I	π-helix	trans	-62.3	-40.4	180	-70.8	-162.4	-59.3	0	0	112.9	I213 W214 V221 F222	I213-M217 WeakPolarHBondContact O-CG 3.4Å; I213-M217 PolarHBondContact O-N 2.72Å; W214-M217 HydrophobicContact CD2-CE 4.43Å; W214-M217 HydrophobicContact CE3-CE 3.4Å; W214-M217 VanDerWaalsContact CE3-CE 3.4Å; W214-M217 HydrophobicContact CZ3-CE 3.84Å; W214-M217 PolarHBondContact O-N 3.46Å; M217-V221 WeakPolarHBondContact O-CA 3.48Å; M217-V221 WeakPolarHBondContact O-CB 3.48Å; M217-V221 PolarHBondContact O-N 2.92Å; M217-F222 HydrophobicContact CB-CD2 4.07Å; M217-F222 HydrophobicContact CB-CE2 3.74Å; M217-F222 HydrophobicContact CB-CZ 4.39Å; M217-F222 HydrophobicContact CE-CE2 4.21Å; M217-F222 HydrophobicContact CE-CZ 4.36Å; M217-F222 PolarHBondContact O-N 2.9Å; M217-F222 HydrophobicContact SD-CE2 4.34Å; M217-F222 HydrophobicContact SD-CZ 4.18Å
218	I	90.6	Very high	89.4	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-71.4	-30.9	178.8	62.7	178.7	0	0	0	112.5	W214 L215 Y216 F222 E231 W838	W214-I218 HydrophobicContact CD2-CG2 4.3Å; W214-I218 HydrophobicContact CH2-CG2 4.45Å; W214-I218 HydrophobicContact CZ2-CG2 3.72Å; W214-I218 PolarHBondContact O-N 3.36Å; L215-I218 HydrophobicContact CD1-CD1 4.02Å; L215-I218 HydrophobicContact CD1-CG1 4.37Å; L215-I218 WeakPolarHBondContact O-CG1 3.49Å; Y216-I218 PolarHBondContact O-N 3.46Å; I218-F222 HydrophobicContact CG2-CD2 4.28Å; I218-E231 HydrophobicContact CB-CB 4.45Å; I218-E231 HydrophobicContact CG2-CB 4.06Å; I218-E231 HydrophobicContact CG2-CG 4.2Å; I218-W838 HydrophobicContact CD1-CE3 4Å; I218-W838 HydrophobicContact CD1-CZ3 3.61Å; I218-W838 HydrophobicContact CG1-CZ3 4.27Å
219	L	86.8	Confident	89.6	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	21%	0.214	C	C	.	.	I	π-helix	trans	-83	-37.2	-179.7	-71.7	174.1	0	0	0	113.9	L215 Y216 P224 N225 V227 W838 V854 A856 L859	L215-L219 HydrophobicContact CD1-CD1 4.2Å; L215-L219 HydrophobicContact CG-CD1 4.24Å; L215-L219 WeakPolarHBondContact O-CG 3.38Å; L215-L219 PolarHBondContact O-N 3.4Å; Y216-L219 PolarHBondContact O-N 2.99Å; L219-P224 WeakPolarHBondContact O-CA 3.38Å; L219-N225 PolarHBondContact O-N 2.8Å; L219-V227 HydrophobicContact CD2-CG2 4.47Å; L219-W838 HydrophobicContact CD1-CH2 4.18Å; L219-W838 HydrophobicContact CD2-CH2 3.74Å; L219-W838 HydrophobicContact CD2-CZ3 4.06Å; L219-W838 HydrophobicContact CG-CH2 4.14Å; L219-W838 HydrophobicContact CG-CZ3 4.39Å; L219-V854 HydrophobicContact CD2-CB 4.27Å; L219-V854 HydrophobicContact CD2-CG1 3.79Å; L219-A856 HydrophobicContact CB-CB 4.18Å; L219-L859 HydrophobicContact CD1-CD2 3.66Å; L219-L859 HydrophobicContact CD1-CG 3.97Å
220	A	85.1	Confident	89.8	Confident	40 Å²	40	44.6 Å²	44.6	33%	0.331	23%	0.229	S	C	.	.	I	π-helix	trans	-116.2	-22.9	-168.5	0	0	0	0	0	114.9	Y216	Y216-A220 HydrophobicContact CD2-CB 4.21Å; Y216-A220 HydrophobicContact CE2-CB 3.81Å; Y216-A220 WeakPolarHBondContact O-CB 3.31Å; Y216-A220 PolarHBondContact O-N 3.21Å
221	V	87.6	Confident	89.8	Confident	82 Å²	82	41.4 Å²	41.4	50%	0.497	22%	0.215	S	C	.	.	I	π-helix	trans	-111.1	-52.4	-169.1	-176.9	0	0	0	0	112.9	Y216 M217	Y216-V221 HydrophobicContact CD1-CG2 4.5Å; Y216-V221 HydrophobicContact CE1-CG2 4.06Å; M217-V221 WeakPolarHBondContact O-CA 3.48Å; M217-V221 WeakPolarHBondContact O-CB 3.48Å; M217-V221 PolarHBondContact O-N 2.92Å
222	F	89	Confident	89.8	Confident	96 Å²	96	41.5 Å²	41.5	42%	0.421	22%	0.215	S	C	.	.	I	π-helix	trans	-79.6	-59	-173.8	-65.5	-46.3	0	0	0	112.6	W214 M217 I218 W230 E231	W214-F222 HydrophobicContact CE3-CE2 4.5Å; W214-F222 AromaticContact CH2-CE2 3.95Å; W214-F222 HydrophobicContact CH2-CE2 3.95Å; W214-F222 AromaticContact CZ3-CE2 3.77Å; W214-F222 HydrophobicContact CZ3-CE2 3.77Å; W214-F222 HydrophobicContact CZ3-CZ 4.45Å; M217-F222 HydrophobicContact CB-CD2 4.07Å; M217-F222 HydrophobicContact CB-CE2 3.74Å; M217-F222 HydrophobicContact CB-CZ 4.39Å; M217-F222 HydrophobicContact CE-CE2 4.21Å; M217-F222 HydrophobicContact CE-CZ 4.36Å; M217-F222 PolarHBondContact O-N 2.9Å; M217-F222 HydrophobicContact SD-CE2 4.34Å; M217-F222 HydrophobicContact SD-CZ 4.18Å; I218-F222 HydrophobicContact CG2-CD2 4.28Å; F222-W230 HydrophobicContact CD2-CH2 4.26Å; F222-E231 WeakPolarHBondContact CB-OE1 3.39Å
223	S	86.7	Confident	89.9	Confident	12 Å²	12	45.4 Å²	45.4	8%	0.084	24%	0.236	C	C	.	.	S	Bend	trans	-130.6	82	-177.5	-58.1	0	0	0	0	108.5	N225 V226 Q228 E231	S223-N225 PolarHBondContact O-N 3.05Å; S223-V226 WeakPolarHBondContact CB-O 3.49Å; S223-V226 PolarHBondContact O-N 3.26Å; S223-V226 VanDerWaalsContact O-N 3.09Å; S223-Q228 PolarHBondContact OG-NE2 2.93Å; S223-E231 VanDerWaalsContact CB-OE1 3.24Å; S223-E231 WeakPolarHBondContact CB-OE1 3.42Å; S223-E231 PolarHBondContact OG-OE1 2.84Å
224	P	86.1	Confident	90.1	Very high	83 Å²	83	44.6 Å²	44.6	54%	0.539	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	128	-172.6	23.8	-33.3	0	0	0	111	L219 V226	L219-P224 WeakPolarHBondContact O-CA 3.38Å; P224-V226 PolarHBondContact O-N 3.26Å
225	N	84.3	Confident	90.1	Very high	77 Å²	77	43.7 Å²	43.7	41%	0.412	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	9.7	-178	-56.2	-53	0	0	0	116.7	L219 S223 V853 V854 A856	L219-N225 PolarHBondContact O-N 2.8Å; S223-N225 PolarHBondContact O-N 3.05Å; N225-V853 WeakPolarHBondContact O-CA 3.28Å; N225-V853 WeakPolarHBondContact O-CG1 3.41Å; N225-V854 CarbonylContact C-O 3.24Å; N225-V854 VanDerWaalsContact C-O 3.24Å; N225-V854 WeakPolarHBondContact CA-O 3.42Å; N225-V854 PolarHBondContact O-N 2.89Å; N225-A856 WeakPolarHBondContact OD1-CB 3.48Å; N225-A856 PolarHBondContact OD1-N 3.3Å
226	V	89.5	Confident	90.3	Very high	45 Å²	45	46.3 Å²	46.3	27%	0.273	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	124.6	-178.6	176.9	0	0	0	0	109.8	S223 P224 P851 F852	S223-V226 WeakPolarHBondContact CB-O 3.49Å; S223-V226 PolarHBondContact O-N 3.26Å; S223-V226 VanDerWaalsContact O-N 3.09Å; P224-V226 PolarHBondContact O-N 3.26Å; V226-P851 HydrophobicContact CG1-CB 3.73Å; V226-F852 WeakPolarHBondContact CA-O 3.36Å
227	V	91.1	Very high	90.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.2	176.7	176.5	0	0	0	0	110.3	L219 E231 W838 F852 V854	L219-V227 HydrophobicContact CD2-CG2 4.47Å; V227-E231 WeakPolarHBondContact CA-OE2 3.13Å; V227-E231 HydrophobicContact CG1-CB 4.16Å; V227-W838 HydrophobicContact CB-CE3 4.48Å; V227-W838 HydrophobicContact CG1-CB 4.47Å; V227-W838 HydrophobicContact CG1-CE3 4.1Å; V227-W838 HydrophobicContact CG2-CE3 3.79Å; V227-W838 HydrophobicContact CG2-CZ3 3.9Å; V227-F852 HydrophobicContact CB-CD1 3.83Å; V227-F852 HydrophobicContact CB-CE1 4.21Å; V227-F852 HydrophobicContact CG1-CD1 4.4Å; V227-F852 PolarHBondContact N-O 3.4Å; V227-V854 HydrophobicContact CB-CG2 4.16Å; V227-V854 HydrophobicContact CG2-CB 4.1Å; V227-V854 HydrophobicContact CG2-CG2 3.68Å
228	Q	92.1	Very high	90.6	Very high	89 Å²	89	44.2 Å²	44.2	42%	0.416	24%	0.241	S	C	.	.			trans	-82	158.8	177.5	-58.4	-172.6	12.7	0	0	111.7	S223 W230 E231 G232	S223-Q228 PolarHBondContact OG-NE2 2.93Å; Q228-W230 VanDerWaalsContact C-N 3.27Å; Q228-W230 PolarHBondContact O-N 3Å; Q228-E231 HydrophobicContact CB-CG 4.25Å; Q228-E231 PolarHBondContact N-OE2 3.49Å; Q228-E231 WeakPolarHBondContact O-CB 3.47Å; Q228-E231 PolarHBondContact O-N 3.49Å; Q228-E231 VanDerWaalsContact O-N 3.1Å; Q228-G232 PolarHBondContact O-N 3.29Å; Q228-G232 VanDerWaalsContact O-N 3.17Å
229	V	93.2	Very high	90.6	Very high	34 Å²	34	46 Å²	46	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-56.5	-41.6	179.7	-179.8	0	0	0	0	111.8	G232 L233 A842 I843 H846	V229-G232 PolarHBondContact O-N 3.43Å; V229-L233 HydrophobicContact CG1-CD1 3.85Å; V229-L233 HydrophobicContact CG1-CG 4.29Å; V229-L233 WeakPolarHBondContact O-CB 3.2Å; V229-L233 VanDerWaalsContact O-CG 3.31Å; V229-L233 WeakPolarHBondContact O-CG 3.25Å; V229-L233 PolarHBondContact O-N 2.93Å; V229-A842 HydrophobicContact CG2-CB 4.18Å; V229-I843 HydrophobicContact CG1-CG1 3.87Å; V229-H846 HydrophobicContact CG2-CB 3.57Å
230	W	93.3	Very high	90.9	Very high	108 Å²	108	49.5 Å²	49.5	41%	0.409	27%	0.271	S	S	.	.	H	α-helix	trans	-69.4	-34.3	180	75.5	-93.7	0	0	0	112.2	W214 F222 Q228 L233 V234	W214-W230 HydrophobicContact CH2-CZ3 4.08Å; W214-W230 HydrophobicContact CZ2-CZ3 4.38Å; F222-W230 HydrophobicContact CD2-CH2 4.26Å; Q228-W230 VanDerWaalsContact C-N 3.27Å; Q228-W230 PolarHBondContact O-N 3Å; W230-L233 PolarHBondContact O-N 3.41Å; W230-V234 HydrophobicContact CE3-CG2 4.02Å; W230-V234 VanDerWaalsContact O-CB 3.26Å; W230-V234 WeakPolarHBondContact O-CB 3.44Å; W230-V234 WeakPolarHBondContact O-CG2 3.46Å; W230-V234 PolarHBondContact O-N 2.98Å
231	E	92.9	Very high	91.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-43.7	177.8	-67.3	168.7	162.4	0	0	110.1	I218 F222 S223 V227 Q228 T235	I218-E231 HydrophobicContact CB-CB 4.45Å; I218-E231 HydrophobicContact CG2-CB 4.06Å; I218-E231 HydrophobicContact CG2-CG 4.2Å; F222-E231 WeakPolarHBondContact CB-OE1 3.39Å; S223-E231 VanDerWaalsContact CB-OE1 3.24Å; S223-E231 WeakPolarHBondContact CB-OE1 3.42Å; S223-E231 PolarHBondContact OG-OE1 2.84Å; V227-E231 WeakPolarHBondContact CA-OE2 3.13Å; V227-E231 HydrophobicContact CG1-CB 4.16Å; Q228-E231 HydrophobicContact CB-CG 4.25Å; Q228-E231 PolarHBondContact N-OE2 3.49Å; Q228-E231 WeakPolarHBondContact O-CB 3.47Å; Q228-E231 PolarHBondContact O-N 3.49Å; Q228-E231 VanDerWaalsContact O-N 3.1Å; E231-T235 WeakPolarHBondContact O-CB 3.31Å; E231-T235 PolarHBondContact O-N 2.78Å; E231-T235 PolarHBondContact O-OG1 3.32Å
232	G	91.1	Very high	91.3	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-61.5	-51.9	172.7	0	0	0	0	0	112.7	Q228 V229 V234 T235 L236 S839	Q228-G232 PolarHBondContact O-N 3.29Å; Q228-G232 VanDerWaalsContact O-N 3.17Å; V229-G232 PolarHBondContact O-N 3.43Å; G232-V234 PolarHBondContact O-N 2.86Å; G232-T235 WeakPolarHBondContact O-CB 2.88Å; G232-T235 PolarHBondContact O-N 3.3Å; G232-L236 PolarHBondContact O-N 3Å; G232-S839 PolarHBondContact O-OG 3.46Å; G232-S839 VanDerWaalsContact O-OG 3.05Å
233	L	93.9	Very high	91.2	Very high	83 Å²	83	43.5 Å²	43.5	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-37.8	-177.7	-71.1	176.8	0	0	0	112.8	V229 W230 L236 S237 S839	V229-L233 HydrophobicContact CG1-CD1 3.85Å; V229-L233 HydrophobicContact CG1-CG 4.29Å; V229-L233 WeakPolarHBondContact O-CB 3.2Å; V229-L233 VanDerWaalsContact O-CG 3.31Å; V229-L233 WeakPolarHBondContact O-CG 3.25Å; V229-L233 PolarHBondContact O-N 2.93Å; W230-L233 PolarHBondContact O-N 3.41Å; L233-L236 PolarHBondContact O-N 2.73Å; L233-S237 WeakPolarHBondContact O-CB 3.32Å; L233-S237 PolarHBondContact O-N 3.26Å; L233-S839 PolarHBondContact N-OG 3.27Å
234	V	94.9	Very high	91.3	Very high	43 Å²	43	47.8 Å²	47.8	26%	0.261	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-43.6	175.2	168.2	0	0	0	0	110.3	W214 W230 G232 L236 S237 F238	W214-V234 HydrophobicContact CH2-CG1 3.99Å; W214-V234 HydrophobicContact CZ2-CB 4.22Å; W214-V234 HydrophobicContact CZ2-CG1 3.63Å; W230-V234 HydrophobicContact CE3-CG2 4.02Å; W230-V234 VanDerWaalsContact O-CB 3.26Å; W230-V234 WeakPolarHBondContact O-CB 3.44Å; W230-V234 WeakPolarHBondContact O-CG2 3.46Å; W230-V234 PolarHBondContact O-N 2.98Å; G232-V234 PolarHBondContact O-N 2.86Å; V234-L236 VanDerWaalsContact C-N 3.28Å; V234-L236 PolarHBondContact O-N 3.37Å; V234-S237 WeakPolarHBondContact CA-OG 3.43Å; V234-S237 PolarHBondContact O-N 3.37Å; V234-S237 VanDerWaalsContact O-N 3.08Å; V234-S237 PolarHBondContact O-OG 3.19Å; V234-F238 HydrophobicContact CG1-CD2 4.22Å; V234-F238 HydrophobicContact CG1-CE1 4.22Å; V234-F238 HydrophobicContact CG1-CE2 3.52Å; V234-F238 HydrophobicContact CG1-CZ 3.51Å; V234-F238 WeakPolarHBondContact O-CD2 3.24Å; V234-F238 PolarHBondContact O-N 3.24Å
235	T	93.8	Very high	91.4	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-45.5	174.2	-54.3	0	0	0	0	111.2	W214 E231 G232 F238 F831	W214-T235 PolarHBondContact NE1-OG1 3.19Å; E231-T235 WeakPolarHBondContact O-CB 3.31Å; E231-T235 PolarHBondContact O-N 2.78Å; E231-T235 PolarHBondContact O-OG1 3.32Å; G232-T235 WeakPolarHBondContact O-CB 2.88Å; G232-T235 PolarHBondContact O-N 3.3Å; T235-F238 PolarHBondContact O-N 2.81Å; T235-F831 HydrophobicContact CG2-CD1 4.4Å
236	L	93.6	Very high	91.4	Very high	55 Å²	55	43.4 Å²	43.4	29%	0.288	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-38.4	176.2	-173.8	62.6	0	0	0	112.5	G232 L233 V234 F238 F239 P240 F831 L832 M836	G232-L236 PolarHBondContact O-N 3Å; L233-L236 PolarHBondContact O-N 2.73Å; V234-L236 VanDerWaalsContact C-N 3.28Å; V234-L236 PolarHBondContact O-N 3.37Å; L236-F238 VanDerWaalsContact C-N 3.27Å; L236-F238 PolarHBondContact O-N 3.2Å; L236-F239 PolarHBondContact O-N 3.13Å; L236-P240 WeakPolarHBondContact O-CD 3.19Å; L236-F831 WeakPolarHBondContact CA-O 3.14Å; L236-L832 HydrophobicContact CD1-CD1 3.98Å; L236-M836 HydrophobicContact CD1-CB 4.34Å
237	S	94.1	Very high	91.1	Very high	46 Å²	46	45.7 Å²	45.7	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-68.6	-22.3	178.8	79.3	0	0	0	0	113.9	L233 V234 F239 P240 I241	L233-S237 WeakPolarHBondContact O-CB 3.32Å; L233-S237 PolarHBondContact O-N 3.26Å; V234-S237 WeakPolarHBondContact CA-OG 3.43Å; V234-S237 PolarHBondContact O-N 3.37Å; V234-S237 VanDerWaalsContact O-N 3.08Å; V234-S237 PolarHBondContact O-OG 3.19Å; S237-F239 PolarHBondContact O-N 3.15Å; S237-P240 WeakPolarHBondContact O-CD 3.09Å; S237-P240 VanDerWaalsContact O-CG 3.22Å; S237-P240 WeakPolarHBondContact O-CG 3.39Å; S237-I241 WeakPolarHBondContact O-CD1 3.48Å; S237-I241 VanDerWaalsContact O-CG1 3.29Å; S237-I241 WeakPolarHBondContact O-CG1 3.28Å; S237-I241 PolarHBondContact O-N 3.31Å
238	F	94.1	Very high	90.9	Very high	30 Å²	30	46.7 Å²	46.7	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-22.7	176.3	-73.3	-41.2	0	0	0	113.3	W207 F210 W214 V234 T235 L236 I241 C242 F831	W207-F238 AromaticContact CH2-CD1 3.89Å; W207-F238 HydrophobicContact CH2-CD1 3.89Å; W207-F238 HydrophobicContact CH2-CE1 4.39Å; W207-F238 HydrophobicContact CZ3-CB 3.99Å; W207-F238 AromaticContact CZ3-CD1 3.72Å; W207-F238 HydrophobicContact CZ3-CD1 3.72Å; W207-F238 HydrophobicContact CZ3-CE1 4.41Å; W207-F238 AromaticContact CZ3-CG 3.94Å; W207-F238 HydrophobicContact CZ3-CG 3.94Å; F210-F238 HydrophobicContact CE1-CD2 4.12Å; F210-F238 HydrophobicContact CE1-CE1 4.33Å; F210-F238 AromaticContact CE1-CE2 3.89Å; F210-F238 HydrophobicContact CE1-CE2 3.89Å; F210-F238 HydrophobicContact CE1-CG 4.43Å; F210-F238 HydrophobicContact CE1-CZ 4.01Å; F210-F238 HydrophobicContact CZ-CE2 4.18Å; F210-F238 HydrophobicContact CZ-CZ 4.1Å; W214-F238 HydrophobicContact CD2-CD2 4.45Å; W214-F238 AromaticContact CD2-CE2 3.61Å; W214-F238 HydrophobicContact CD2-CE2 3.61Å; W214-F238 HydrophobicContact CD2-CZ 4.46Å; W214-F238 AromaticContact CE2-CE2 3.64Å; W214-F238 AromaticContact CE3-CE2 3.96Å; W214-F238 HydrophobicContact CE3-CE2 3.96Å; W214-F238 HydrophobicContact CE3-CZ 4.39Å; W214-F238 HydrophobicContact CG-CD2 4.4Å; W214-F238 AromaticContact CG-CE2 3.97Å; W214-F238 HydrophobicContact CG-CE2 3.97Å; W214-F238 HydrophobicContact CH2-CE2 4.4Å; W214-F238 HydrophobicContact CZ2-CE2 4.06Å; W214-F238 HydrophobicContact CZ3-CE2 4.35Å; W214-F238 HydrophobicContact CZ3-CZ 4.49Å; W214-F238 AromaticContact NE1-CE2 3.92Å; V234-F238 HydrophobicContact CG1-CD2 4.22Å; V234-F238 HydrophobicContact CG1-CE1 4.22Å; V234-F238 HydrophobicContact CG1-CE2 3.52Å; V234-F238 HydrophobicContact CG1-CZ 3.51Å; V234-F238 WeakPolarHBondContact O-CD2 3.24Å; V234-F238 PolarHBondContact O-N 3.24Å; T235-F238 PolarHBondContact O-N 2.81Å; L236-F238 VanDerWaalsContact C-N 3.27Å; L236-F238 PolarHBondContact O-N 3.2Å; F238-I241 HydrophobicContact CD1-CD1 4.09Å; F238-I241 PolarHBondContact O-N 3.37Å; F238-C242 WeakPolarHBondContact O-CB 3.18Å; F238-C242 PolarHBondContact O-N 3.42Å; F238-F831 HydrophobicContact CB-CD1 3.54Å; F238-F831 HydrophobicContact CB-CD2 4.18Å; F238-F831 HydrophobicContact CB-CE1 3.58Å; F238-F831 HydrophobicContact CB-CE2 4.22Å; F238-F831 HydrophobicContact CB-CG 3.88Å; F238-F831 HydrophobicContact CB-CZ 3.94Å; F238-F831 HydrophobicContact CD2-CD1 4.25Å; F238-F831 AromaticContact CD2-CE1 3.91Å; F238-F831 HydrophobicContact CD2-CE1 3.91Å; F238-F831 HydrophobicContact CG-CD1 4.4Å; F238-F831 HydrophobicContact CG-CE1 4.13Å
239	F	90.8	Very high	90.3	Very high	37 Å²	37	42.9 Å²	42.9	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-59.5	174	176.1	-116.1	0	0	0	112.6	T135 L236 S237 I241 C242 V243 V828 F831	T135-F239 HydrophobicContact CG2-CZ 3.94Å; L236-F239 PolarHBondContact O-N 3.13Å; S237-F239 PolarHBondContact O-N 3.15Å; F239-I241 VanDerWaalsContact C-N 3.26Å; F239-I241 PolarHBondContact O-N 3.08Å; F239-C242 PolarHBondContact O-N 2.94Å; F239-V243 HydrophobicContact CD2-CG2 4.36Å; F239-V243 HydrophobicContact CE2-CG2 4.04Å; F239-V243 HydrophobicContact CZ-CG2 4.28Å; F239-V243 VanDerWaalsContact O-CG2 3.32Å; F239-V243 WeakPolarHBondContact O-CG2 3.4Å; F239-V243 PolarHBondContact O-N 3.29Å; F239-V243 VanDerWaalsContact O-N 3.09Å; F239-V828 HydrophobicContact CD2-CG2 4.09Å; F239-V828 HydrophobicContact CE2-CG1 4.16Å; F239-V828 HydrophobicContact CE2-CG2 3.69Å; F239-F831 HydrophobicContact CB-CB 3.82Å
240	P	91.4	Very high	89.6	Confident	75 Å²	75	43 Å²	43	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-30.1	177.6	23.8	-33.6	0	0	0	113.1	L236 S237 V243 L244	L236-P240 WeakPolarHBondContact O-CD 3.19Å; S237-P240 WeakPolarHBondContact O-CD 3.09Å; S237-P240 VanDerWaalsContact O-CG 3.22Å; S237-P240 WeakPolarHBondContact O-CG 3.39Å; P240-V243 PolarHBondContact O-N 3.29Å; P240-L244 WeakPolarHBondContact O-CB 3.35Å; P240-L244 PolarHBondContact O-N 3.22Å
241	I	91.6	Very high	88.7	Confident	71 Å²	71	44.8 Å²	44.8	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-46.6	175	-66.6	167.7	0	0	0	111	W207 S237 F238 F239 V243 L244 L245	W207-I241 HydrophobicContact CH2-CG2 3.83Å; W207-I241 HydrophobicContact CZ2-CG2 3.86Å; S237-I241 WeakPolarHBondContact O-CD1 3.48Å; S237-I241 VanDerWaalsContact O-CG1 3.29Å; S237-I241 WeakPolarHBondContact O-CG1 3.28Å; S237-I241 PolarHBondContact O-N 3.31Å; F238-I241 HydrophobicContact CD1-CD1 4.09Å; F238-I241 PolarHBondContact O-N 3.37Å; F239-I241 VanDerWaalsContact C-N 3.26Å; F239-I241 PolarHBondContact O-N 3.08Å; I241-V243 VanDerWaalsContact C-N 3.31Å; I241-V243 PolarHBondContact O-N 3.21Å; I241-L244 PolarHBondContact O-N 3.41Å; I241-L245 HydrophobicContact CG2-CD1 3.94Å; I241-L245 HydrophobicContact CG2-CG 4.46Å; I241-L245 WeakPolarHBondContact O-CB 3.44Å; I241-L245 WeakPolarHBondContact O-CG 3.42Å; I241-L245 PolarHBondContact O-N 3.04Å
242	C	89.6	Confident	87.5	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-58.1	-45.3	176.3	179.2	0	0	0	0	111	W207 F238 F239 L245 A246 F831	W207-C242 HydrophobicContact CB-CB 4.45Å; W207-C242 VanDerWaalsContact CB-SG 3.55Å; W207-C242 HydrophobicContact CD2-CB 4Å; W207-C242 HydrophobicContact CE3-CB 4.23Å; W207-C242 HydrophobicContact CG-CB 4.07Å; F238-C242 WeakPolarHBondContact O-CB 3.18Å; F238-C242 PolarHBondContact O-N 3.42Å; F239-C242 PolarHBondContact O-N 2.94Å; C242-L245 PolarHBondContact O-N 3.14Å; C242-A246 WeakPolarHBondContact O-CB 3.41Å; C242-A246 PolarHBondContact O-N 2.78Å; C242-F831 HydrophobicContact CB-CE2 4.46Å
243	V	88.2	Confident	85.8	Confident	17 Å²	17	58.9 Å²	58.9	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-45.3	178	175.7	0	0	0	0	112	V131 L134 T135 F239 P240 I241 L245 A246 W247	V131-V243 HydrophobicContact CG1-CG1 3.89Å; V131-V243 HydrophobicContact CG2-CG1 4.34Å; L134-V243 HydrophobicContact CD2-CG2 4.14Å; L134-V243 HydrophobicContact CG-CG2 4.47Å; T135-V243 HydrophobicContact CG2-CB 4.18Å; T135-V243 HydrophobicContact CG2-CG1 3.62Å; T135-V243 HydrophobicContact CG2-CG2 3.44Å; T135-V243 VanDerWaalsContact CG2-CG2 3.44Å; F239-V243 HydrophobicContact CD2-CG2 4.36Å; F239-V243 HydrophobicContact CE2-CG2 4.04Å; F239-V243 HydrophobicContact CZ-CG2 4.28Å; F239-V243 VanDerWaalsContact O-CG2 3.32Å; F239-V243 WeakPolarHBondContact O-CG2 3.4Å; F239-V243 PolarHBondContact O-N 3.29Å; F239-V243 VanDerWaalsContact O-N 3.09Å; P240-V243 PolarHBondContact O-N 3.29Å; I241-V243 VanDerWaalsContact C-N 3.31Å; I241-V243 PolarHBondContact O-N 3.21Å; V243-L245 PolarHBondContact O-N 3.1Å; V243-A246 PolarHBondContact O-N 3.29Å; V243-W247 WeakPolarHBondContact O-CB 3.42Å; V243-W247 PolarHBondContact O-N 3.38Å
244	L	88.2	Confident	83.6	Confident	101 Å²	101	60.9 Å²	60.9	53%	0.529	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-43.4	177.9	-175.9	144.6	0	0	0	111.3	P240 I241 W247 V248	P240-L244 WeakPolarHBondContact O-CB 3.35Å; P240-L244 PolarHBondContact O-N 3.22Å; I241-L244 PolarHBondContact O-N 3.41Å; L244-W247 PolarHBondContact O-N 3.46Å; L244-V248 HydrophobicContact CD2-CG2 4.13Å; L244-V248 VanDerWaalsContact O-CG2 3.28Å; L244-V248 WeakPolarHBondContact O-CG2 3.27Å; L244-V248 PolarHBondContact O-N 3.19Å
245	L	87.7	Confident	80.9	Confident	68 Å²	68	65.4 Å²	65.4	36%	0.356	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-36.7	178.3	-69.9	173.7	0	0	0	112.5	V203 W207 I241 C242 V243 V248 A249	V203-L245 HydrophobicContact CG1-CB 4.32Å; W207-L245 HydrophobicContact CZ2-CD1 3.45Å; W207-L245 VanDerWaalsContact CZ2-CD1 3.45Å; I241-L245 HydrophobicContact CG2-CD1 3.94Å; I241-L245 HydrophobicContact CG2-CG 4.46Å; I241-L245 WeakPolarHBondContact O-CB 3.44Å; I241-L245 WeakPolarHBondContact O-CG 3.42Å; I241-L245 PolarHBondContact O-N 3.04Å; C242-L245 PolarHBondContact O-N 3.14Å; V243-L245 PolarHBondContact O-N 3.1Å; L245-V248 PolarHBondContact O-N 3.25Å; L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 2.83Å
246	A	84.3	Confident	78.5	Confident	0 Å²	0	76 Å²	76	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-43.9	172.5	0	0	0	0	0	111.5	T130 L134 C242 V243 A249 D250	T130-A246 HydrophobicContact CG2-CB 4.38Å; L134-A246 HydrophobicContact CD2-CB 3.62Å; C242-A246 WeakPolarHBondContact O-CB 3.41Å; C242-A246 PolarHBondContact O-N 2.78Å; V243-A246 PolarHBondContact O-N 3.29Å; A246-A249 PolarHBondContact O-N 3.1Å; A246-D250 PolarHBondContact O-N 3.34Å
247	W	84.3	Confident	75.6	Confident	94 Å²	94	82.1 Å²	82.1	36%	0.356	38%	0.382	S	S	.	.	H	α-helix	trans	-62.2	-42.5	174.8	178	80.7	0	0	0	112.6	V131 V243 L244 A249 D250 R251	V131-W247 HydrophobicContact CG2-CB 3.84Å; V131-W247 HydrophobicContact CG2-CG 4Å; V243-W247 WeakPolarHBondContact O-CB 3.42Å; V243-W247 PolarHBondContact O-N 3.38Å; L244-W247 PolarHBondContact O-N 3.46Å; W247-A249 VanDerWaalsContact C-N 3.34Å; W247-A249 PolarHBondContact O-N 3.5Å; W247-D250 PolarHBondContact O-N 3.3Å; W247-R251 HydrophobicContact CD2-CG 4.27Å; W247-R251 HydrophobicContact CZ2-CG 4Å; W247-R251 WeakPolarHBondContact O-CG 3.35Å; W247-R251 PolarHBondContact O-N 3.36Å
248	V	85.1	Confident	72.8	Confident	22 Å²	22	88.7 Å²	88.7	13%	0.133	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-40.3	175.2	170	0	0	0	0	111.5	L244 L245 D250 R251 R252 L254	L244-V248 HydrophobicContact CD2-CG2 4.13Å; L244-V248 VanDerWaalsContact O-CG2 3.28Å; L244-V248 WeakPolarHBondContact O-CG2 3.27Å; L244-V248 PolarHBondContact O-N 3.19Å; L245-V248 PolarHBondContact O-N 3.25Å; V248-D250 VanDerWaalsContact C-N 3.31Å; V248-D250 PolarHBondContact O-N 3.36Å; V248-R251 PolarHBondContact O-N 3.02Å; V248-R252 PolarHBondContact O-N 2.89Å; V248-L254 HydrophobicContact CG1-CD1 3.58Å; V248-L254 HydrophobicContact CG1-CG 4.09Å
249	A	80.6	Confident	69.8	Low	9 Å²	9	95.6 Å²	95.6	7%	0.074	44%	0.44	C	S	.	.	H	α-helix	trans	-64.6	-36.7	177.4	0	0	0	0	0	112.2	V203 L245 A246 W247	V203-A249 HydrophobicContact CG2-CB 3.99Å; L245-A249 WeakPolarHBondContact O-CB 3.37Å; L245-A249 PolarHBondContact O-N 2.83Å; A246-A249 PolarHBondContact O-N 3.1Å; W247-A249 VanDerWaalsContact C-N 3.34Å; W247-A249 PolarHBondContact O-N 3.5Å
250	D	78.9	Confident	67	Low	38 Å²	38	101.7 Å²	101.7	20%	0.203	47%	0.469	C	S	.	.	H	α-helix	trans	-68.2	-48.8	176	-170.8	36	0	0	0	111.9	T130 V200 A246 W247 V248 R252	T130-D250 HydrophobicContact CG2-CB 4.23Å; T130-D250 PolarHBondContact OG1-OD2 3.21Å; V200-D250 HydrophobicContact CG2-CB 4.2Å; A246-D250 PolarHBondContact O-N 3.34Å; W247-D250 PolarHBondContact O-N 3.3Å; V248-D250 VanDerWaalsContact C-N 3.31Å; V248-D250 PolarHBondContact O-N 3.36Å; D250-R252 WeakPolarHBondContact O-CG 3.44Å; D250-R252 PolarHBondContact O-N 3.43Å
251	R	73.4	Confident	64.3	Low	145 Å²	145	106 Å²	106	55%	0.547	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-1.6	179.8	-72.4	-71.4	-174.3	171.3	0	115.3	W247 V248 L253	W247-R251 HydrophobicContact CD2-CG 4.27Å; W247-R251 HydrophobicContact CZ2-CG 4Å; W247-R251 WeakPolarHBondContact O-CG 3.35Å; W247-R251 PolarHBondContact O-N 3.36Å; V248-R251 PolarHBondContact O-N 3.02Å; R251-L253 HydrophobicContact CB-CD1 3.91Å; R251-L253 HydrophobicContact CB-CG 4.1Å; R251-L253 PolarHBondContact O-N 3.32Å
252	R	67.5	Low	61.2	Low	181 Å²	181	112.8 Å²	112.8	68%	0.683	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	21.2	176.1	-43.1	-165.3	172.5	-171.7	-3.2	115.4	R199 V248 D250 L254	R199-R252 VanDerWaalsContact NH2-NE 3.2Å; V248-R252 PolarHBondContact O-N 2.89Å; D250-R252 WeakPolarHBondContact O-CG 3.44Å; D250-R252 PolarHBondContact O-N 3.43Å; R252-L254 PolarHBondContact O-N 3.49Å
253	L	56.6	Low	58.3	Low	115 Å²	115	121.5 Å²	121.5	60%	0.602	54%	0.54	S	S	*	.			trans	-73.7	-18	-167.6	-76.3	163.6	0	0	0	115.8	R251	R251-L253 HydrophobicContact CB-CD1 3.91Å; R251-L253 HydrophobicContact CB-CG 4.1Å; R251-L253 PolarHBondContact O-N 3.32Å
254	L	47	Very low	55.3	Low	125 Å²	125	132.3 Å²	132.3	65%	0.654	58%	0.579	S	S	*	*	S	Bend	trans	-126.9	-15.1	-166.8	-68.3	175	0	0	0	117.8	V248 R252	V248-L254 HydrophobicContact CG1-CD1 3.58Å; V248-L254 HydrophobicContact CG1-CG 4.09Å; R252-L254 PolarHBondContact O-N 3.49Å
255	F	38.7	Very low	52.5	Low	138 Å²	138	133.9 Å²	133.9	61%	0.605	59%	0.593	S	S	*	*			trans	-111.1	0.5	-164.3	-75.8	-77.7	0	0	0	117.7	K257 F258	F255-K257 PolarHBondContact O-N 2.98Å; F255-F258 PolarHBondContact O-N 3.49Å
256	Y	42	Very low	49.6	Very low	223 Å²	223	138.1 Å²	138.1	88%	0.875	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-11.3	179.1	-144.7	-90.2	0	0	0	113.4
257	K	34.3	Very low	47.4	Very low	185 Å²	185	147.5 Å²	147.5	80%	0.804	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-20.6	-179	-131.2	174.7	-176.3	177.8	0	115	F255	F255-K257 PolarHBondContact O-N 2.98Å
258	F	34.7	Very low	45	Very low	184 Å²	184	151.5 Å²	151.5	81%	0.807	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-6.2	-165.7	-112.2	-86.3	0	0	0	116.8	F255	F255-F258 PolarHBondContact O-N 3.49Å
259	M	31.7	Very low	42.5	Very low	174 Å²	174	161.8 Å²	161.8	86%	0.857	72%	0.715	S	S	*	*			trans	-120.2	74	169.9	-80.3	-150.5	-55.2	0	0	110.9	K261	M259-K261 PolarHBondContact O-N 3.49Å
260	H	32.3	Very low	40.3	Very low	165 Å²	165	165.4 Å²	165.4	76%	0.764	75%	0.754	S	S	*	*			trans	-73.1	123.8	161.3	-91.9	65.3	0	0	0	109.6	K262	H260-K262 PolarHBondContact O-N 3.31Å
261	K	33.4	Very low	37.8	Very low	166 Å²	166	168.8 Å²	168.8	72%	0.722	78%	0.776	S	S	*	*			trans	-39.1	126.1	169.9	-73.4	167.7	164.6	180	0	111.8	M259 Y263	M259-K261 PolarHBondContact O-N 3.49Å; K261-Y263 HydrophobicContact CB-CD2 4.04Å; K261-Y263 HydrophobicContact CB-CE2 4.2Å; K261-Y263 HydrophobicContact CD-CD2 4.46Å; K261-Y263 HydrophobicContact CD-CE2 3.77Å; K261-Y263 PolarHBondContact O-N 3.2Å
262	K	25.8	Very low	35.7	Very low	214 Å²	214	169.7 Å²	169.7	93%	0.93	79%	0.79	S	S	*	*			trans	-75.9	94	158.5	-97.9	-179.5	175.4	174.1	0	108.2	H260	H260-K262 PolarHBondContact O-N 3.31Å
263	Y	30.2	Very low	33.9	Very low	188 Å²	188	167.8 Å²	167.8	74%	0.737	79%	0.792	S	S	*	*			trans	-78.5	119.2	157.1	-87.4	-84.3	0	0	0	108.1	K261	K261-Y263 HydrophobicContact CB-CD2 4.04Å; K261-Y263 HydrophobicContact CB-CE2 4.2Å; K261-Y263 HydrophobicContact CD-CD2 4.46Å; K261-Y263 HydrophobicContact CD-CE2 3.77Å; K261-Y263 PolarHBondContact O-N 3.2Å
264	R	25.6	Very low	32.5	Very low	244 Å²	244	171 Å²	171	92%	0.921	80%	0.804	S	S	*	*			trans	-96.8	101.5	166.4	-170	178.3	-179	114.1	-0.9	107
265	T	27.6	Very low	31.4	Very low	134 Å²	134	171.1 Å²	171.1	82%	0.822	81%	0.809	S	S	*	*			trans	-77.8	119.4	170.1	10.2	0	0	0	0	108.8
266	D	27.5	Very low	30.8	Very low	157 Å²	157	172.9 Å²	172.9	84%	0.84	82%	0.82	S	S	*	*			trans	-99.8	135.4	162.7	-158	-4.8	0	0	0	109.1	H268	D266-H268 PolarHBondContact O-N 3.14Å
267	K	38	Very low	29.9	Very low	196 Å²	196	168.6 Å²	168.6	85%	0.852	82%	0.817	S	S	*	*	S	Bend	trans	-97.8	15.7	-155.2	-146.7	178.5	-176.8	-178.6	0	114.3
268	H	33.5	Very low	29.2	Very low	178 Å²	178	168.7 Å²	168.7	82%	0.824	82%	0.82	S	S	*	*	S	Bend	trans	-151.9	66.4	-174.8	-112.3	-74.4	0	0	0	113.8	D266	D266-H268 PolarHBondContact O-N 3.14Å
269	R	34	Very low	28.8	Very low	238 Å²	238	171.9 Å²	171.9	90%	0.898	83%	0.827	S	S	*	*			trans	163.4	106.3	145.3	-94.5	166	172.1	-178.3	-2.5	108.6	V271	R269-V271 PolarHBondContact O-N 2.82Å; R269-V271 VanDerWaalsContact O-N 3.1Å
270	G	33	Very low	28.4	Very low	86 Å²	86	169.1 Å²	169.1	89%	0.887	82%	0.824	S	S	*	*			trans	-76.4	89.3	174.3	0	0	0	0	0	111.1
271	V	27.3	Very low	28.2	Very low	109 Å²	109	170.4 Å²	170.4	66%	0.661	83%	0.828	S	S	*	*			trans	-145.8	109.5	160.6	177.9	0	0	0	0	107.3	R269 I273	R269-V271 PolarHBondContact O-N 2.82Å; R269-V271 VanDerWaalsContact O-N 3.1Å; V271-I273 HydrophobicContact CG1-CD1 3.77Å; V271-I273 HydrophobicContact CG1-CG1 3.7Å
272	I	28.7	Very low	27.8	Very low	164 Å²	164	165.7 Å²	165.7	84%	0.841	83%	0.827	S	S	*	*			trans	-94.7	107.2	165.6	-60.4	170.4	0	0	0	105.1
273	I	29.3	Very low	28	Very low	141 Å²	141	163.4 Å²	163.4	72%	0.723	82%	0.823	S	S	*	*			trans	-103.2	108.7	161.6	-68.4	159.2	0	0	0	105.1	V271	V271-I273 HydrophobicContact CG1-CD1 3.77Å; V271-I273 HydrophobicContact CG1-CG1 3.7Å
274	E	27.6	Very low	27.8	Very low	183 Å²	183	163.5 Å²	163.5	86%	0.855	83%	0.83	S	S	*	*			trans	-122.8	109.7	157.1	-118.4	177.2	179.8	0	0	106.7
275	T	24.6	Very low	28.2	Very low	126 Å²	126	159.9 Å²	159.9	77%	0.773	83%	0.825	S	S	*	*			trans	-64.6	134.2	173.3	27.7	0	0	0	0	111.2
276	E	25.2	Very low	28.2	Very low	176 Å²	176	161 Å²	161	82%	0.822	83%	0.827	S	S	*	*			trans	-49.9	148.8	163.8	-64	173.7	141.4	0	0	110.5
277	T	22.8	Very low	28.4	Very low	133 Å²	133	156.8 Å²	156.8	82%	0.816	82%	0.82	S	S	*	*				-166.5	131.1	55.7	-30	0	0	0	0	105.9
278	E	20.6	Very low	27.8	Very low	187 Å²	187	156.9 Å²	156.9	87%	0.874	82%	0.82	S	S	*	*				-156.3	130.3	71.1	-92.8	179.7	149.3	0	0	109.4
279	R	27.1	Very low	27.5	Very low	251 Å²	251	156.3 Å²	156.3	95%	0.947	82%	0.82	S	S	*	*			trans	-87.9	121.4	165.6	-85.8	175.1	165.2	162.5	-4.4	108.6
280	S	22.1	Very low	27.1	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	82%	0.817	S	S	*	*			trans	-132.1	137.4	157.5	61.7	0	0	0	0	110.4	G282	S280-G282 PolarHBondContact O-N 2.89Å
281	K	28.5	Very low	26.7	Very low	193 Å²	193	153.5 Å²	153.5	84%	0.839	81%	0.807	S	S	*	*			trans	-58.1	117.5	-156	-68.4	168.4	171	177.7	0	113.5	E314	K281-E314 IonicContact NZ-OE1 2.91Å
282	G	24.3	Very low	26.5	Very low	67 Å²	67	153.1 Å²	153.1	69%	0.691	81%	0.81	S	S	*	*			trans	-144.3	117.5	160.9	0	0	0	0	0	107.7	S280 E284	S280-G282 PolarHBondContact O-N 2.89Å; G282-E284 PolarHBondContact O-N 2.69Å; G282-E284 VanDerWaalsContact O-N 3.1Å
283	I	30.8	Very low	26.2	Very low	165 Å²	165	153.6 Å²	153.6	85%	0.846	81%	0.808	S	S	*	*			trans	-49.1	110.1	-172.5	-63.8	159.5	0	0	0	111.3
284	E	26.4	Very low	26.1	Very low	190 Å²	190	156 Å²	156	89%	0.888	81%	0.813	S	S	*	*			trans	-91.4	113.7	165.4	-125.7	178.1	178.3	0	0	107.8	G282 D286	G282-E284 PolarHBondContact O-N 2.69Å; G282-E284 VanDerWaalsContact O-N 3.1Å; E284-D286 PolarHBondContact O-N 2.82Å
285	M	34.3	Very low	26.1	Very low	168 Å²	168	155.2 Å²	155.2	83%	0.828	81%	0.812	S	S	*	*			trans	-76.8	107.3	164.7	-81.9	-129.3	-72.9	0	0	108.2	G287	M285-G287 PolarHBondContact O-N 3.33Å
286	D	27.5	Very low	26.2	Very low	159 Å²	159	156.4 Å²	156.4	85%	0.85	81%	0.813	S	S	*	*			trans	-71.6	108.3	170.1	-167.4	19.5	0	0	0	109.4	E284 K288	E284-D286 PolarHBondContact O-N 2.82Å; D286-K288 PolarHBondContact O-N 3.13Å
287	G	30	Very low	26.5	Very low	68 Å²	68	151 Å²	151	70%	0.701	81%	0.805	S	S	*	*			trans	-89.9	91.8	-178.5	0	0	0	0	0	111.5	M285 M289	M285-G287 PolarHBondContact O-N 3.33Å; G287-M289 PolarHBondContact O-N 3.39Å
288	K	26.6	Very low	27	Very low	197 Å²	197	148.5 Å²	148.5	86%	0.857	79%	0.793	S	S	*	*			trans	-86.9	100	153.8	-104.3	-179.3	-179.3	173.4	0	109.5	D286 V290	D286-K288 PolarHBondContact O-N 3.13Å; K288-V290 PolarHBondContact O-N 3.39Å
289	M	26.8	Very low	27.6	Very low	166 Å²	166	143.8 Å²	143.8	82%	0.818	79%	0.786	S	S	*	*			trans	-58.1	115.6	176.6	-164.7	172	-178.7	0	0	111.2	G287	G287-M289 PolarHBondContact O-N 3.39Å
290	V	25.4	Very low	28.1	Very low	139 Å²	139	136.5 Å²	136.5	84%	0.842	77%	0.77	S	S	*	*			trans	-110.3	118.7	157.6	-177.9	0	0	0	0	107.4	K288	K288-V290 PolarHBondContact O-N 3.39Å
291	N	24	Very low	28.9	Very low	126 Å²	126	133.3 Å²	133.3	67%	0.674	75%	0.747	S	S	*	*			trans	-67.3	138.7	-179.2	-108.5	-12.3	0	0	0	111.7
292	S	24.2	Very low	29.3	Very low	102 Å²	102	129.2 Å²	129.2	71%	0.713	74%	0.735	S	S	*	*				125.8	125.4	126.4	74.8	0	0	0	0	117.5
293	H	22.4	Very low	30	Very low	173 Å²	173	131 Å²	131	80%	0.801	73%	0.728	S	S	*	*			trans	70.3	110.9	152.9	-82.1	-82.6	0	0	0	121.6
294	F	28	Very low	30.6	Very low	192 Å²	192	127.7 Å²	127.7	84%	0.842	71%	0.711	S	S	*	*			trans	32	99.7	138.9	-93.5	-96.5	0	0	0	118.3
295	M	26.2	Very low	31	Very low	167 Å²	167	119.5 Å²	119.5	82%	0.823	68%	0.677	S	S	*	*				167.5	139.6	117.9	-85.9	-98.4	89.2	0	0	110.8
296	D	26.1	Very low	31.2	Very low	150 Å²	150	117.3 Å²	117.3	80%	0.802	67%	0.668	S	S	*	*			trans	81.3	131.8	149.2	-130.9	-1.7	0	0	0	123.5	S298	D296-S298 VanDerWaalsContact C-N 3.26Å; D296-S298 PolarHBondContact O-N 2.99Å
297	G	31.9	Very low	31.8	Very low	64 Å²	64	112.9 Å²	112.9	66%	0.66	64%	0.644	S	S	*	*	S	Bend	trans	-80.3	42.5	-170.2	0	0	0	0	0	115.3
298	S	34	Very low	32.3	Very low	80 Å²	80	113 Å²	113	56%	0.559	63%	0.626	S	S	*	*			trans	-91.7	-21	-172.9	-174.3	0	0	0	0	114.6	D296	D296-S298 VanDerWaalsContact C-N 3.26Å; D296-S298 PolarHBondContact O-N 2.99Å
299	A	32.3	Very low	33	Very low	87 Å²	87	106.5 Å²	106.5	72%	0.719	61%	0.605	S	S	*	*	H	α-helix	trans	-81.2	-17.9	-171	0	0	0	0	0	115.5
300	T	38.3	Very low	33.9	Very low	99 Å²	99	104.8 Å²	104.8	61%	0.607	59%	0.593	S	S	*	*	H	α-helix	trans	-81.8	-28	-178.5	42.1	0	0	0	0	113.2	I304	T300-I304 VanDerWaalsContact O-CD1 3.3Å; T300-I304 WeakPolarHBondContact O-CD1 3.18Å; T300-I304 VanDerWaalsContact O-CG1 3.31Å; T300-I304 WeakPolarHBondContact O-CG1 2.98Å; T300-I304 PolarHBondContact O-N 3.27Å
301	S	38	Very low	35	Very low	47 Å²	47	103.7 Å²	103.7	33%	0.329	58%	0.579	S	S	.	*	H	α-helix	trans	-75.5	-34.1	-177.4	-170.7	0	0	0	0	113.3	G305	S301-G305 PolarHBondContact O-N 3.41Å
302	N	37.4	Very low	36.3	Very low	108 Å²	108	101 Å²	101	58%	0.578	57%	0.567	S	S	*	*	H	α-helix	trans	-76.8	-26.2	179.4	-74.1	-12.8	0	0	0	112.4
303	L	40	Very low	37.8	Very low	104 Å²	104	99.8 Å²	99.8	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-73.3	-38.6	175.8	-154.4	79.9	0	0	0	111.3	L306 I307	L303-L306 PolarHBondContact O-N 3.28Å; L303-I307 HydrophobicContact CD2-CD1 4.11Å; L303-I307 HydrophobicContact CG-CD1 3.92Å; L303-I307 WeakPolarHBondContact O-CB 3Å; L303-I307 VanDerWaalsContact O-CD1 3.25Å; L303-I307 WeakPolarHBondContact O-CD1 3.4Å; L303-I307 WeakPolarHBondContact O-CG1 3.13Å; L303-I307 PolarHBondContact O-N 2.98Å
304	I	41.9	Very low	39.6	Very low	96 Å²	96	94.8 Å²	94.8	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-69.6	-41.7	-176.6	-66.7	164	0	0	0	111.7	T300 L306 I307 E308	T300-I304 VanDerWaalsContact O-CD1 3.3Å; T300-I304 WeakPolarHBondContact O-CD1 3.18Å; T300-I304 VanDerWaalsContact O-CG1 3.31Å; T300-I304 WeakPolarHBondContact O-CG1 2.98Å; T300-I304 PolarHBondContact O-N 3.27Å; I304-L306 VanDerWaalsContact C-N 3.3Å; I304-L306 PolarHBondContact O-N 3.36Å; I304-I307 PolarHBondContact O-N 2.96Å; I304-I307 VanDerWaalsContact O-N 3.1Å; I304-E308 PolarHBondContact O-N 3.44Å
305	G	34.8	Very low	41.1	Very low	18 Å²	18	88.5 Å²	88.5	19%	0.186	51%	0.509	C	S	.	.	H	α-helix	trans	-66.4	-29.8	177.4	0	0	0	0	0	114.2	S301 S309	S301-G305 PolarHBondContact O-N 3.41Å; G305-S309 PolarHBondContact O-N 2.92Å; G305-S309 PolarHBondContact O-OG 2.93Å
306	L	38.3	Very low	42.9	Very low	122 Å²	122	84.6 Å²	84.6	64%	0.639	49%	0.486	S	S	*	.	H	α-helix	trans	-79.8	-20.2	172.5	-99.6	152.5	0	0	0	113	L303 I304 K310	L303-L306 PolarHBondContact O-N 3.28Å; I304-L306 VanDerWaalsContact C-N 3.3Å; I304-L306 PolarHBondContact O-N 3.36Å; L306-K310 WeakPolarHBondContact O-CB 3.35Å
307	I	41.6	Very low	44.9	Very low	65 Å²	65	82.6 Å²	82.6	33%	0.333	47%	0.467	S	S	.	.	H	α-helix	trans	-82	-43.8	175.2	-71	162	0	0	0	110	L303 I304 K310 E311	L303-I307 HydrophobicContact CD2-CD1 4.11Å; L303-I307 HydrophobicContact CG-CD1 3.92Å; L303-I307 WeakPolarHBondContact O-CB 3Å; L303-I307 VanDerWaalsContact O-CD1 3.25Å; L303-I307 WeakPolarHBondContact O-CD1 3.4Å; L303-I307 WeakPolarHBondContact O-CG1 3.13Å; L303-I307 PolarHBondContact O-N 2.98Å; I304-I307 PolarHBondContact O-N 2.96Å; I304-I307 VanDerWaalsContact O-N 3.1Å; I307-K310 CarbonylContact O-C 3.55Å; I307-K310 PolarHBondContact O-N 3.24Å; I307-E311 HydrophobicContact CG2-CG 4.27Å; I307-E311 WeakPolarHBondContact O-CB 3.44Å; I307-E311 WeakPolarHBondContact O-CG 3.29Å; I307-E311 PolarHBondContact O-N 3.08Å
308	E	39.1	Very low	46.6	Very low	70 Å²	70	82.7 Å²	82.7	33%	0.327	45%	0.452	S	S	.	.	H	α-helix	trans	-70.2	-43.6	-177.9	-77.8	179.4	161.7	0	0	113.5	T122 I304 K310 E311 V312	T122-E308 WeakPolarHBondContact CG2-OE1 3.02Å; I304-E308 PolarHBondContact O-N 3.44Å; E308-K310 PolarHBondContact O-N 2.8Å; E308-E311 PolarHBondContact O-N 2.94Å; E308-V312 WeakPolarHBondContact O-CG2 3.37Å; E308-V312 PolarHBondContact O-N 3.3Å
309	S	42.3	Very low	48.2	Very low	61 Å²	61	79.5 Å²	79.5	43%	0.427	43%	0.429	S	S	.	.	H	α-helix	trans	-61.3	-35.8	173.2	43.2	0	0	0	0	111.2	G305 D313	G305-S309 PolarHBondContact O-N 2.92Å; G305-S309 PolarHBondContact O-OG 2.93Å; S309-D313 VanDerWaalsContact O-CB 3.32Å; S309-D313 WeakPolarHBondContact O-CB 3.24Å; S309-D313 VanDerWaalsContact O-CG 3.23Å; S309-D313 PolarHBondContact O-N 3.32Å; S309-D313 VanDerWaalsContact O-N 3.11Å
310	K	46.1	Very low	50	Low	130 Å²	130	77.4 Å²	77.4	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-74	-35.2	177.4	-163	176.7	-174	179.8	0	113.2	L306 I307 E308 E314	L306-K310 WeakPolarHBondContact O-CB 3.35Å; I307-K310 CarbonylContact O-C 3.55Å; I307-K310 PolarHBondContact O-N 3.24Å; E308-K310 PolarHBondContact O-N 2.8Å; K310-E314 WeakPolarHBondContact O-CB 3.47Å; K310-E314 PolarHBondContact O-N 3.08Å
311	E	47.8	Very low	51.8	Low	117 Å²	117	79.6 Å²	79.6	55%	0.547	40%	0.402	S	S	.	.	H	α-helix	trans	-71.7	-41.1	176.8	-81.7	-178.8	176.6	0	0	112.3	I307 E308 D313 E314 S315	I307-E311 HydrophobicContact CG2-CG 4.27Å; I307-E311 WeakPolarHBondContact O-CB 3.44Å; I307-E311 WeakPolarHBondContact O-CG 3.29Å; I307-E311 PolarHBondContact O-N 3.08Å; E308-E311 PolarHBondContact O-N 2.94Å; E311-D313 VanDerWaalsContact C-N 3.34Å; E311-E314 PolarHBondContact O-N 3.39Å; E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 2.92Å; E311-S315 PolarHBondContact O-OG 3.44Å
312	V	50.8	Low	53.6	Low	68 Å²	68	78.8 Å²	78.8	41%	0.412	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-39.1	174.2	178.1	0	0	0	0	110.5	E308 S315 R316	E308-V312 WeakPolarHBondContact O-CG2 3.37Å; E308-V312 PolarHBondContact O-N 3.3Å; V312-S315 WeakPolarHBondContact CA-OG 3.5Å; V312-S315 PolarHBondContact O-OG 2.92Å; V312-R316 WeakPolarHBondContact O-CB 3.43Å; V312-R316 WeakPolarHBondContact O-CG 3.41Å; V312-R316 PolarHBondContact O-N 3.46Å; V312-R316 VanDerWaalsContact O-N 3.09Å
313	D	57.3	Low	55.3	Low	77 Å²	77	74.1 Å²	74.1	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-71.6	-29.4	172.9	-74.2	-14.9	0	0	0	113	S309 E311 R317	S309-D313 VanDerWaalsContact O-CB 3.32Å; S309-D313 WeakPolarHBondContact O-CB 3.24Å; S309-D313 VanDerWaalsContact O-CG 3.23Å; S309-D313 PolarHBondContact O-N 3.32Å; S309-D313 VanDerWaalsContact O-N 3.11Å; E311-D313 VanDerWaalsContact C-N 3.34Å; D313-R317 VanDerWaalsContact O-CB 3.32Å; D313-R317 WeakPolarHBondContact O-CB 3.16Å; D313-R317 WeakPolarHBondContact O-CG 3.38Å; D313-R317 PolarHBondContact O-N 2.97Å; D313-R317 PolarHBondContact O-NE 3.36Å
314	E	59.3	Low	56.8	Low	69 Å²	69	72.8 Å²	72.8	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-74.3	-42.3	177.8	-166	160.2	-157.6	0	0	111.1	K281 K310 E311 R317 D318	K281-E314 IonicContact NZ-OE1 2.91Å; K310-E314 WeakPolarHBondContact O-CB 3.47Å; K310-E314 PolarHBondContact O-N 3.08Å; E311-E314 PolarHBondContact O-N 3.39Å; E314-R317 PolarHBondContact O-N 2.66Å; E314-D318 WeakPolarHBondContact O-CB 3.35Å; E314-D318 VanDerWaalsContact O-CG 3.26Å; E314-D318 PolarHBondContact O-N 2.94Å
315	S	58.9	Low	58.5	Low	59 Å²	59	70.9 Å²	70.9	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-39	173.3	53.8	0	0	0	0	113.3	E311 V312 D318 M319	E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 2.92Å; E311-S315 PolarHBondContact O-OG 3.44Å; V312-S315 WeakPolarHBondContact CA-OG 3.5Å; V312-S315 PolarHBondContact O-OG 2.92Å; S315-D318 PolarHBondContact O-N 3.46Å; S315-M319 PolarHBondContact O-N 3.3Å
316	R	64.4	Low	60.6	Low	86 Å²	86	71 Å²	71	33%	0.325	35%	0.345	S	S	.	.	H	α-helix	trans	-57.7	-49.8	168.8	-85.5	175.4	170.9	139.2	-1.3	111.7	V312 D318 M319 I320 D681 I684	V312-R316 WeakPolarHBondContact O-CB 3.43Å; V312-R316 WeakPolarHBondContact O-CG 3.41Å; V312-R316 PolarHBondContact O-N 3.46Å; V312-R316 VanDerWaalsContact O-N 3.09Å; R316-D318 VanDerWaalsContact C-N 3.33Å; R316-D318 PolarHBondContact O-N 3.15Å; R316-M319 PolarHBondContact O-N 3.35Å; R316-I320 VanDerWaalsContact O-CG1 3.25Å; R316-I320 WeakPolarHBondContact O-CG1 3.47Å; R316-I320 PolarHBondContact O-N 3.34Å; R316-D681 IonicContact CZ-OD1 3.58Å; R316-D681 IonicContact NE-OD1 2.76Å; R316-D681 PolarHBondContact NE-OD1 3.17Å; R316-D681 IonicContact NH2-OD1 3.84Å; R316-D681 PolarHBondContact NH2-OD1 3.5Å; R316-I684 HydrophobicContact CB-CD1 4.38Å; R316-I684 HydrophobicContact CG-CD1 3.28Å
317	R	67.9	Low	62.3	Low	108 Å²	108	71.1 Å²	71.1	41%	0.408	34%	0.341	S	S	.	.	H	α-helix	trans	-62.9	-37.8	178.8	-79.5	178.8	-74.7	-167.5	-6.3	112.7	D313 E314 I320 R321	D313-R317 VanDerWaalsContact O-CB 3.32Å; D313-R317 WeakPolarHBondContact O-CB 3.16Å; D313-R317 WeakPolarHBondContact O-CG 3.38Å; D313-R317 PolarHBondContact O-N 2.97Å; D313-R317 PolarHBondContact O-NE 3.36Å; E314-R317 PolarHBondContact O-N 2.66Å; R317-I320 PolarHBondContact O-N 3.44Å; R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 2.91Å
318	D	68.4	Low	63.9	Low	65 Å²	65	74 Å²	74	35%	0.348	35%	0.353	S	S	.	.	H	α-helix	trans	-67.8	-41.2	177.1	-72.1	-12.4	0	0	0	111.1	E314 S315 R316 I320 R321 I322	E314-D318 WeakPolarHBondContact O-CB 3.35Å; E314-D318 VanDerWaalsContact O-CG 3.26Å; E314-D318 PolarHBondContact O-N 2.94Å; S315-D318 PolarHBondContact O-N 3.46Å; R316-D318 VanDerWaalsContact C-N 3.33Å; R316-D318 PolarHBondContact O-N 3.15Å; D318-I320 PolarHBondContact O-N 3.43Å; D318-R321 PolarHBondContact O-N 3.44Å; D318-R321 IonicContact OD1-CZ 3.96Å; D318-R321 IonicContact OD1-NH1 3.15Å; D318-R321 PolarHBondContact OD1-NH1 3.07Å; D318-R321 IonicContact OD1-NH2 2.8Å; D318-R321 PolarHBondContact OD1-NH2 3.29Å; D318-I322 WeakPolarHBondContact O-CD1 3.47Å; D318-I322 VanDerWaalsContact O-CG1 3.27Å; D318-I322 WeakPolarHBondContact O-CG1 3.29Å; D318-I322 PolarHBondContact O-N 3.39Å
319	M	67.5	Low	65.8	Low	14 Å²	14	76.7 Å²	76.7	7%	0.069	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-41.3	174.8	-170.2	69.3	83	0	0	112.1	S315 R316 I322 L323 A346 L683	S315-M319 PolarHBondContact O-N 3.3Å; R316-M319 PolarHBondContact O-N 3.35Å; M319-I322 PolarHBondContact O-N 3.12Å; M319-L323 HydrophobicContact CG-CD1 4.41Å; M319-L323 PolarHBondContact O-N 2.91Å; M319-A346 HydrophobicContact CE-CB 3.6Å; M319-A346 HydrophobicContact SD-CB 3.98Å; M319-L683 HydrophobicContact CE-CB 4.46Å
320	I	69.6	Low	67.5	Low	43 Å²	43	75.1 Å²	75.1	22%	0.221	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-43.6	175.7	-66.9	165.7	0	0	0	110.5	R316 R317 D318 I322 L323 K324 F676 V680	R316-I320 VanDerWaalsContact O-CG1 3.25Å; R316-I320 WeakPolarHBondContact O-CG1 3.47Å; R316-I320 PolarHBondContact O-N 3.34Å; R317-I320 PolarHBondContact O-N 3.44Å; D318-I320 PolarHBondContact O-N 3.43Å; I320-I322 VanDerWaalsContact C-N 3.31Å; I320-I322 PolarHBondContact O-N 3.36Å; I320-L323 PolarHBondContact O-N 2.85Å; I320-K324 WeakPolarHBondContact O-CB 3.47Å; I320-K324 PolarHBondContact O-N 3.37Å; I320-F676 HydrophobicContact CG1-CE1 4.04Å; I320-F676 HydrophobicContact CG1-CZ 4.46Å; I320-F676 HydrophobicContact CG2-CE1 4.12Å; I320-F676 HydrophobicContact CG2-CZ 4.28Å; I320-V680 HydrophobicContact CG1-CG1 4.37Å; I320-V680 HydrophobicContact CG1-CG2 4.27Å
321	R	75.6	Confident	68.8	Low	144 Å²	144	74 Å²	74	54%	0.543	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-40.4	175.1	-77.4	-170.9	-123.4	121.5	14.2	112.2	R317 D318 K324 D325	R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 2.91Å; D318-R321 PolarHBondContact O-N 3.44Å; D318-R321 IonicContact OD1-CZ 3.96Å; D318-R321 IonicContact OD1-NH1 3.15Å; D318-R321 PolarHBondContact OD1-NH1 3.07Å; D318-R321 IonicContact OD1-NH2 2.8Å; D318-R321 PolarHBondContact OD1-NH2 3.29Å; R321-K324 PolarHBondContact O-N 2.99Å; R321-D325 WeakPolarHBondContact O-CB 3.44Å; R321-D325 PolarHBondContact O-N 3.37Å
322	I	76.4	Confident	70	Confident	30 Å²	30	74.5 Å²	74.5	15%	0.154	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-48.3	177.8	-68.6	159.7	0	0	0	110.9	D318 M319 I320 K324 D325 L326 A342 Y345	D318-I322 WeakPolarHBondContact O-CD1 3.47Å; D318-I322 VanDerWaalsContact O-CG1 3.27Å; D318-I322 WeakPolarHBondContact O-CG1 3.29Å; D318-I322 PolarHBondContact O-N 3.39Å; M319-I322 PolarHBondContact O-N 3.12Å; I320-I322 VanDerWaalsContact C-N 3.31Å; I320-I322 PolarHBondContact O-N 3.36Å; I322-K324 VanDerWaalsContact C-N 3.28Å; I322-K324 PolarHBondContact O-N 3.01Å; I322-D325 PolarHBondContact O-N 3.27Å; I322-L326 HydrophobicContact CG2-CD1 3.88Å; I322-L326 HydrophobicContact CG2-CG 4.48Å; I322-L326 WeakPolarHBondContact O-CB 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 3.24Å; I322-A342 HydrophobicContact CG2-CB 4.35Å; I322-Y345 HydrophobicContact CB-CD1 4.3Å; I322-Y345 HydrophobicContact CD1-CD1 3.71Å; I322-Y345 HydrophobicContact CD1-CE1 3.99Å; I322-Y345 HydrophobicContact CG1-CD1 3.73Å; I322-Y345 HydrophobicContact CG1-CE1 3.79Å; I322-Y345 HydrophobicContact CG2-CD1 3.53Å; I322-Y345 HydrophobicContact CG2-CE1 4.25Å; I322-Y345 HydrophobicContact CG2-CG 3.95Å
323	L	73.9	Confident	71	Confident	10 Å²	10	73.9 Å²	73.9	5%	0.052	35%	0.349	C	S	.	.	H	α-helix	trans	-59.1	-40	176.2	-92.7	157.4	0	0	0	111.8	M319 I320 L326 K327 V339 A342 F676 V680 L683	M319-L323 HydrophobicContact CG-CD1 4.41Å; M319-L323 PolarHBondContact O-N 2.91Å; I320-L323 PolarHBondContact O-N 2.85Å; L323-L326 PolarHBondContact O-N 3.39Å; L323-K327 WeakPolarHBondContact O-CB 3.2Å; L323-K327 PolarHBondContact O-N 2.88Å; L323-V339 HydrophobicContact CD2-CG2 4.44Å; L323-A342 HydrophobicContact CD2-CB 3.87Å; L323-A342 HydrophobicContact CG-CB 3.73Å; L323-F676 HydrophobicContact CB-CE2 4.48Å; L323-F676 HydrophobicContact CB-CZ 4.41Å; L323-F676 HydrophobicContact CD1-CE2 4.37Å; L323-F676 HydrophobicContact CD1-CZ 4.41Å; L323-V680 HydrophobicContact CD1-CG2 4.09Å; L323-L683 HydrophobicContact CD1-CD1 3.83Å
324	K	70.4	Confident	72	Confident	76 Å²	76	75.3 Å²	75.3	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-48	176.6	-171.5	168.7	-174.4	160.2	0	112.1	I320 R321 I322 L326 K327 Q328 E605	I320-K324 WeakPolarHBondContact O-CB 3.47Å; I320-K324 PolarHBondContact O-N 3.37Å; R321-K324 PolarHBondContact O-N 2.99Å; I322-K324 VanDerWaalsContact C-N 3.28Å; I322-K324 PolarHBondContact O-N 3.01Å; K324-L326 VanDerWaalsContact C-N 3.3Å; K324-L326 PolarHBondContact O-N 3.35Å; K324-K327 PolarHBondContact O-N 3.14Å; K324-Q328 WeakPolarHBondContact O-CG 3.48Å; K324-Q328 PolarHBondContact O-N 3.34Å; K324-E605 WeakPolarHBondContact CE-OE2 3.47Å; K324-E605 VanDerWaalsContact NZ-CB 3.27Å; K324-E605 PolarHBondContact NZ-O 3.01Å; K324-E605 IonicContact NZ-OE2 3.27Å; K324-E605 PolarHBondContact NZ-OE2 3.37Å; K324-E605 VanDerWaalsContact NZ-OE2 3.08Å
325	D	78.3	Confident	72.5	Confident	57 Å²	57	75.7 Å²	75.7	31%	0.305	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-38.4	176.8	-175.3	50	0	0	0	111.7	R321 I322 K329	R321-D325 WeakPolarHBondContact O-CB 3.44Å; R321-D325 PolarHBondContact O-N 3.37Å; I322-D325 PolarHBondContact O-N 3.27Å; D325-K329 VanDerWaalsContact CG-NZ 3.33Å; D325-K329 WeakPolarHBondContact O-CB 3.4Å; D325-K329 VanDerWaalsContact O-CG 3.31Å; D325-K329 WeakPolarHBondContact O-CG 3.28Å; D325-K329 PolarHBondContact O-N 2.98Å; D325-K329 WeakPolarHBondContact OD1-CE 3.34Å; D325-K329 IonicContact OD1-NZ 3.43Å; D325-K329 PolarHBondContact OD1-NZ 3.44Å; D325-K329 WeakPolarHBondContact OD2-CE 3.41Å; D325-K329 IonicContact OD2-NZ 2.71Å; D325-K329 PolarHBondContact OD2-NZ 3.01Å
326	L	79.1	Confident	73.1	Confident	19 Å²	19	78.5 Å²	78.5	10%	0.099	37%	0.371	C	S	.	.	H	α-helix	trans	-68.3	-42.2	175.8	-73.3	170.2	0	0	0	112.7	I322 L323 K324 Q328 K329 H330 L338 M341 A342	I322-L326 HydrophobicContact CG2-CD1 3.88Å; I322-L326 HydrophobicContact CG2-CG 4.48Å; I322-L326 WeakPolarHBondContact O-CB 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.43Å; I322-L326 PolarHBondContact O-N 3.24Å; L323-L326 PolarHBondContact O-N 3.39Å; K324-L326 VanDerWaalsContact C-N 3.3Å; K324-L326 PolarHBondContact O-N 3.35Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; L326-Q328 PolarHBondContact O-N 3.48Å; L326-K329 PolarHBondContact O-N 3.45Å; L326-H330 PolarHBondContact O-N 3.18Å; L326-L338 HydrophobicContact CB-CD2 4Å; L326-M341 HydrophobicContact CD1-CB 3.91Å; L326-M341 HydrophobicContact CD2-CB 4.18Å; L326-A342 HydrophobicContact CD1-CB 3.82Å
327	K	74.1	Confident	73.6	Confident	125 Å²	125	79.2 Å²	79.2	54%	0.543	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-37.1	176.1	-172.9	178.8	178.7	-170.1	0	111.7	L323 K324 H330 L338	L323-K327 WeakPolarHBondContact O-CB 3.2Å; L323-K327 PolarHBondContact O-N 2.88Å; K324-K327 PolarHBondContact O-N 3.14Å; K327-H330 CarbonylContact O-C 3.47Å; K327-L338 HydrophobicContact CB-CD1 4.21Å; K327-L338 HydrophobicContact CG-CD1 4.23Å
328	Q	75.3	Confident	73.9	Confident	126 Å²	126	74.5 Å²	74.5	59%	0.589	36%	0.361	S	S	*	.	H	α-helix	trans	-69	-37.7	175.1	-75.2	-176.7	-5.9	0	0	112.8	K324 L326	K324-Q328 WeakPolarHBondContact O-CG 3.48Å; K324-Q328 PolarHBondContact O-N 3.34Å; L326-Q328 VanDerWaalsContact C-N 3.33Å; L326-Q328 PolarHBondContact O-N 3.48Å
329	K	78.9	Confident	74.1	Confident	127 Å²	127	72.5 Å²	72.5	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-77	-31	178.5	-75.6	171.9	179.7	165.2	0	113.4	D325 L326	D325-K329 VanDerWaalsContact CG-NZ 3.33Å; D325-K329 WeakPolarHBondContact O-CB 3.4Å; D325-K329 VanDerWaalsContact O-CG 3.31Å; D325-K329 WeakPolarHBondContact O-CG 3.28Å; D325-K329 PolarHBondContact O-N 2.98Å; D325-K329 WeakPolarHBondContact OD1-CE 3.34Å; D325-K329 IonicContact OD1-NZ 3.43Å; D325-K329 PolarHBondContact OD1-NZ 3.44Å; D325-K329 WeakPolarHBondContact OD2-CE 3.41Å; D325-K329 IonicContact OD2-NZ 2.71Å; D325-K329 PolarHBondContact OD2-NZ 3.01Å; L326-K329 PolarHBondContact O-N 3.45Å
330	H	78.1	Confident	74.2	Confident	28 Å²	28	75 Å²	75	13%	0.13	36%	0.363	C	S	.	.			trans	-130.8	67.9	-177.2	-62.1	-66.8	0	0	0	112.2	L326 K327 E332 K333 L338 D716	L326-H330 PolarHBondContact O-N 3.18Å; K327-H330 CarbonylContact O-C 3.47Å; H330-E332 VanDerWaalsContact C-OE2 3.29Å; H330-E332 VanDerWaalsContact CA-OE2 3.31Å; H330-E332 WeakPolarHBondContact CA-OE2 3.41Å; H330-E332 WeakPolarHBondContact CB-OE1 3.4Å; H330-E332 IonicContact CG-OE1 3.22Å; H330-E332 IonicContact ND1-OE1 3.33Å; H330-E332 PolarHBondContact ND1-OE1 3.43Å; H330-E332 PolarHBondContact O-N 3.06Å; H330-K333 HydrophobicContact CB-CB 4.2Å; H330-K333 HydrophobicContact CB-CD 3.75Å; H330-K333 HydrophobicContact CB-CG 4.02Å; H330-K333 PolarHBondContact CE1-NZ 3.25Å; H330-K333 PolarHBondContact ND1-NZ 3.2Å; H330-K333 PolarHBondContact O-N 2.87Å; H330-L338 HydrophobicContact CB-CD2 4.32Å; H330-D716 IonicContact CE1-OD1 2.74Å
331	P	73.6	Confident	74.4	Confident	105 Å²	105	74.8 Å²	74.8	68%	0.682	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.2	176.5	26.9	-34.7	0	0	0	113.3
332	E	71.5	Confident	74.3	Confident	129 Å²	129	68 Å²	68	60%	0.603	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-12.6	179.4	73.2	-71.3	167.8	0	0	114.9	H330	H330-E332 VanDerWaalsContact C-OE2 3.29Å; H330-E332 VanDerWaalsContact CA-OE2 3.31Å; H330-E332 WeakPolarHBondContact CA-OE2 3.41Å; H330-E332 WeakPolarHBondContact CB-OE1 3.4Å; H330-E332 IonicContact CG-OE1 3.22Å; H330-E332 IonicContact ND1-OE1 3.33Å; H330-E332 PolarHBondContact ND1-OE1 3.43Å; H330-E332 PolarHBondContact O-N 3.06Å
333	K	73.3	Confident	74.2	Confident	55 Å²	55	67.3 Å²	67.3	24%	0.239	33%	0.332	C	S	.	.	S	Bend	trans	-95.9	141.6	-174.2	-69.3	-178.8	-174.4	164.5	0	111.4	H330 Q337 L338 M341	H330-K333 HydrophobicContact CB-CB 4.2Å; H330-K333 HydrophobicContact CB-CD 3.75Å; H330-K333 HydrophobicContact CB-CG 4.02Å; H330-K333 PolarHBondContact CE1-NZ 3.25Å; H330-K333 PolarHBondContact ND1-NZ 3.2Å; H330-K333 PolarHBondContact O-N 2.87Å; K333-Q337 HydrophobicContact CB-CB 4.28Å; K333-L338 HydrophobicContact CB-CG 4.37Å; K333-M341 HydrophobicContact CB-CE 4.33Å; K333-M341 HydrophobicContact CD-CE 3.3Å; K333-M341 HydrophobicContact CD-SD 3.94Å; K333-M341 HydrophobicContact CG-CE 4.44Å; K333-M341 PolarHBondContact NZ-SD 3.25Å; K333-M341 VanDerWaalsContact NZ-SD 3.37Å
334	D	77.1	Confident	74.3	Confident	107 Å²	107	70.1 Å²	70.1	57%	0.572	34%	0.343	S	S	*	.			trans	-68.2	159	-178.5	-158.4	6	0	0	0	111.9	D336 Q337 L338	D334-D336 VanDerWaalsContact C-N 3.25Å; D334-D336 PolarHBondContact O-N 2.81Å; D334-Q337 HydrophobicContact CB-CG 4.48Å; D334-Q337 WeakPolarHBondContact O-CB 3.49Å; D334-Q337 PolarHBondContact O-N 2.87Å; D334-L338 PolarHBondContact O-N 2.97Å
335	L	69.6	Low	74.4	Confident	76 Å²	76	70.8 Å²	70.8	40%	0.398	34%	0.344	S	S	.	.	H	α-helix	trans	-57.6	-40.2	-175.6	-174.1	66	0	0	0	111.6	Q337 L338 V339	L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3.42Å; L335-L338 PolarHBondContact O-N 2.98Å; L335-V339 WeakPolarHBondContact O-CB 3.22Å; L335-V339 WeakPolarHBondContact O-CG2 3.09Å; L335-V339 PolarHBondContact O-N 3.11Å
336	D	71.5	Confident	74.2	Confident	119 Å²	119	68.7 Å²	68.7	64%	0.636	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-36.8	177.5	-74.7	-24.2	0	0	0	112.6	D334 V339 E340	D334-D336 VanDerWaalsContact C-N 3.25Å; D334-D336 PolarHBondContact O-N 2.81Å; D336-V339 PolarHBondContact O-N 3.38Å; D336-E340 PolarHBondContact O-N 3.2Å
337	Q	74.8	Confident	73.8	Confident	101 Å²	101	68.1 Å²	68.1	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-71.4	-36.7	176.3	-64.5	-179	-2.4	0	0	111.6	K333 D334 L335 E340 M341	K333-Q337 HydrophobicContact CB-CB 4.28Å; D334-Q337 HydrophobicContact CB-CG 4.48Å; D334-Q337 WeakPolarHBondContact O-CB 3.49Å; D334-Q337 PolarHBondContact O-N 2.87Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3.42Å; Q337-E340 PolarHBondContact O-N 3.46Å; Q337-M341 WeakPolarHBondContact O-CG 3Å; Q337-M341 PolarHBondContact O-N 3.34Å
338	L	74.9	Confident	73.6	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-40.3	173.6	-71.5	167.8	0	0	0	111.6	L326 K327 H330 K333 D334 L335 E340 M341 A342	L326-L338 HydrophobicContact CB-CD2 4Å; K327-L338 HydrophobicContact CB-CD1 4.21Å; K327-L338 HydrophobicContact CG-CD1 4.23Å; H330-L338 HydrophobicContact CB-CD2 4.32Å; K333-L338 HydrophobicContact CB-CG 4.37Å; D334-L338 PolarHBondContact O-N 2.97Å; L335-L338 PolarHBondContact O-N 2.98Å; L338-E340 VanDerWaalsContact C-N 3.35Å; L338-M341 HydrophobicContact CD2-CE 3.71Å; L338-M341 HydrophobicContact CG-CE 4.33Å; L338-M341 PolarHBondContact O-N 3.19Å; L338-A342 VanDerWaalsContact O-CB 3.29Å; L338-A342 WeakPolarHBondContact O-CB 3.34Å; L338-A342 PolarHBondContact O-N 3.05Å
339	V	72.1	Confident	73.2	Confident	23 Å²	23	63.3 Å²	63.3	14%	0.139	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-40	174.4	168.6	0	0	0	0	111.3	L323 L335 D336 A342 N343 T679 L683	L323-V339 HydrophobicContact CD2-CG2 4.44Å; L335-V339 WeakPolarHBondContact O-CB 3.22Å; L335-V339 WeakPolarHBondContact O-CG2 3.09Å; L335-V339 PolarHBondContact O-N 3.11Å; D336-V339 PolarHBondContact O-N 3.38Å; V339-A342 PolarHBondContact O-N 3.06Å; V339-N343 WeakPolarHBondContact O-CB 3.29Å; V339-N343 PolarHBondContact O-N 3.42Å; V339-N343 PolarHBondContact O-ND2 3.3Å; V339-T679 HydrophobicContact CG1-CG2 4.4Å; V339-T679 HydrophobicContact CG2-CG2 3.43Å; V339-T679 VanDerWaalsContact CG2-CG2 3.43Å; V339-L683 HydrophobicContact CG1-CD1 4.19Å; V339-L683 HydrophobicContact CG1-CD2 3.87Å; V339-L683 HydrophobicContact CG1-CG 4.16Å
340	E	70.5	Confident	72.7	Confident	67 Å²	67	61 Å²	61	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-49.3	173.2	152.8	155.6	-138.5	0	0	111.9	D336 Q337 L338 A342 N343 Y344 V376	D336-E340 PolarHBondContact O-N 3.2Å; Q337-E340 PolarHBondContact O-N 3.46Å; L338-E340 VanDerWaalsContact C-N 3.35Å; E340-A342 VanDerWaalsContact C-N 3.31Å; E340-A342 PolarHBondContact O-N 3.02Å; E340-N343 WeakPolarHBondContact O-CB 3.34Å; E340-N343 PolarHBondContact O-N 2.97Å; E340-Y344 PolarHBondContact O-N 3.35Å; E340-V376 HydrophobicContact CB-CG1 4.12Å; E340-V376 HydrophobicContact CG-CG1 3.52Å
341	M	72.7	Confident	71.9	Confident	39 Å²	39	66.5 Å²	66.5	19%	0.192	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-37.1	177.1	-69.7	-175.5	-69.2	0	0	112	L326 K333 Q337 L338 Y344 Y345	L326-M341 HydrophobicContact CD1-CB 3.91Å; L326-M341 HydrophobicContact CD2-CB 4.18Å; K333-M341 HydrophobicContact CB-CE 4.33Å; K333-M341 HydrophobicContact CD-CE 3.3Å; K333-M341 HydrophobicContact CD-SD 3.94Å; K333-M341 HydrophobicContact CG-CE 4.44Å; K333-M341 PolarHBondContact NZ-SD 3.25Å; K333-M341 VanDerWaalsContact NZ-SD 3.37Å; Q337-M341 WeakPolarHBondContact O-CG 3Å; Q337-M341 PolarHBondContact O-N 3.34Å; L338-M341 HydrophobicContact CD2-CE 3.71Å; L338-M341 HydrophobicContact CG-CE 4.33Å; L338-M341 PolarHBondContact O-N 3.19Å; M341-Y344 PolarHBondContact O-N 3.02Å; M341-Y345 VanDerWaalsContact O-CB 3.27Å; M341-Y345 WeakPolarHBondContact O-CB 3.5Å; M341-Y345 PolarHBondContact O-N 3.38Å
342	A	74.8	Confident	72	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-42.3	176.1	0	0	0	0	0	111.9	I322 L323 L326 L338 V339 E340 Y345 A346	I322-A342 HydrophobicContact CG2-CB 4.35Å; L323-A342 HydrophobicContact CD2-CB 3.87Å; L323-A342 HydrophobicContact CG-CB 3.73Å; L326-A342 HydrophobicContact CD1-CB 3.82Å; L338-A342 VanDerWaalsContact O-CB 3.29Å; L338-A342 WeakPolarHBondContact O-CB 3.34Å; L338-A342 PolarHBondContact O-N 3.05Å; V339-A342 PolarHBondContact O-N 3.06Å; E340-A342 VanDerWaalsContact C-N 3.31Å; E340-A342 PolarHBondContact O-N 3.02Å; A342-Y345 PolarHBondContact O-N 2.95Å; A342-A346 VanDerWaalsContact O-CB 3.29Å; A342-A346 WeakPolarHBondContact O-CB 3.4Å; A342-A346 PolarHBondContact O-N 2.72Å
343	N	74.5	Confident	71.9	Confident	17 Å²	17	57.8 Å²	57.8	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-48.8	172.5	-94.9	-39	0	0	0	112.1	V339 E340 Y345 A346 L347 L683	V339-N343 WeakPolarHBondContact O-CB 3.29Å; V339-N343 PolarHBondContact O-N 3.42Å; V339-N343 PolarHBondContact O-ND2 3.3Å; E340-N343 WeakPolarHBondContact O-CB 3.34Å; E340-N343 PolarHBondContact O-N 2.97Å; N343-Y345 VanDerWaalsContact C-N 3.35Å; N343-A346 PolarHBondContact O-N 2.86Å; N343-L347 WeakPolarHBondContact O-CB 3.29Å; N343-L347 WeakPolarHBondContact O-CG 3.21Å; N343-L347 PolarHBondContact O-N 3.23Å; N343-L683 HydrophobicContact CB-CD2 4.28Å; N343-L683 WeakPolarHBondContact ND2-CD2 3.44Å; N343-L683 WeakPolarHBondContact OD1-CD2 3.36Å
344	Y	74.6	Confident	71.7	Confident	68 Å²	68	55.8 Å²	55.8	27%	0.267	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-45	177.1	177.3	-101	0	0	0	111.5	E340 M341 L347 S348 L372 K373	E340-Y344 PolarHBondContact O-N 3.35Å; M341-Y344 PolarHBondContact O-N 3.02Å; Y344-L347 PolarHBondContact O-N 2.95Å; Y344-S348 VanDerWaalsContact O-CB 3.26Å; Y344-S348 WeakPolarHBondContact O-CB 3.4Å; Y344-S348 PolarHBondContact O-N 3.32Å; Y344-S348 PolarHBondContact O-OG 3.3Å; Y344-L372 HydrophobicContact CD2-CB 4.13Å; Y344-L372 HydrophobicContact CE2-CB 3.83Å; Y344-K373 HydrophobicContact CD2-CG 4.05Å; Y344-K373 HydrophobicContact CE2-CB 4.39Å; Y344-K373 HydrophobicContact CE2-CG 3.4Å
345	Y	74.3	Confident	71.4	Confident	90 Å²	90	50.7 Å²	50.7	35%	0.353	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-43.4	178.8	-165.2	-87.5	0	0	0	111.7	I322 M341 A342 N343 S348 H349	I322-Y345 HydrophobicContact CB-CD1 4.3Å; I322-Y345 HydrophobicContact CD1-CD1 3.71Å; I322-Y345 HydrophobicContact CD1-CE1 3.99Å; I322-Y345 HydrophobicContact CG1-CD1 3.73Å; I322-Y345 HydrophobicContact CG1-CE1 3.79Å; I322-Y345 HydrophobicContact CG2-CD1 3.53Å; I322-Y345 HydrophobicContact CG2-CE1 4.25Å; I322-Y345 HydrophobicContact CG2-CG 3.95Å; M341-Y345 VanDerWaalsContact O-CB 3.27Å; M341-Y345 WeakPolarHBondContact O-CB 3.5Å; M341-Y345 PolarHBondContact O-N 3.38Å; A342-Y345 PolarHBondContact O-N 2.95Å; N343-Y345 VanDerWaalsContact C-N 3.35Å; Y345-S348 WeakPolarHBondContact CA-OG 3.35Å; Y345-S348 PolarHBondContact O-N 3.44Å; Y345-S348 PolarHBondContact O-OG 2.93Å; Y345-H349 AromaticContact CD1-CE1 3.9Å; Y345-H349 AromaticContact CD1-ND1 3.63Å; Y345-H349 AromaticContact CD2-CE1 3.8Å; Y345-H349 AromaticContact CE1-CE1 3.42Å; Y345-H349 VanDerWaalsContact CE1-CE1 3.42Å; Y345-H349 WeakPolarHBondContact CE1-CE1 3.41Å; Y345-H349 AromaticContact CE1-ND1 3.53Å; Y345-H349 AromaticContact CE1-NE2 3.84Å; Y345-H349 AromaticContact CE2-CE1 3.31Å; Y345-H349 WeakPolarHBondContact CE2-CE1 3.4Å; Y345-H349 AromaticContact CE2-ND1 3.98Å; Y345-H349 AromaticContact CG-ND1 3.93Å; Y345-H349 AromaticContact CZ-CE1 3.11Å; Y345-H349 AromaticContact CZ-ND1 3.72Å; Y345-H349 AromaticContact CZ-NE2 3.5Å; Y345-H349 PolarHBondContact O-N 3.37Å; Y345-H349 VanDerWaalsContact O-N 3.12Å; Y345-H349 PolarHBondContact O-ND1 3Å; Y345-H349 PolarHBondContact OH-CE1 3.26Å; Y345-H349 PolarHBondContact OH-NE2 3.48Å
346	A	72.8	Confident	71.9	Confident	13 Å²	13	47.1 Å²	47.1	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-46.9	176.5	0	0	0	0	0	112.2	M319 A342 N343 S348 H349 Q350 T687	M319-A346 HydrophobicContact CE-CB 3.6Å; M319-A346 HydrophobicContact SD-CB 3.98Å; A342-A346 VanDerWaalsContact O-CB 3.29Å; A342-A346 WeakPolarHBondContact O-CB 3.4Å; A342-A346 PolarHBondContact O-N 2.72Å; N343-A346 PolarHBondContact O-N 2.86Å; A346-S348 PolarHBondContact O-N 3.49Å; A346-H349 PolarHBondContact O-N 2.94Å; A346-Q350 WeakPolarHBondContact O-CG 3.22Å; A346-Q350 PolarHBondContact O-N 2.92Å; A346-T687 HydrophobicContact CB-CG2 4.23Å
347	L	71.6	Confident	72.1	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-68.9	-32.6	178.6	-69.7	169	0	0	0	112.7	N343 Y344 L372 V376 T687 L689 V692	N343-L347 WeakPolarHBondContact O-CB 3.29Å; N343-L347 WeakPolarHBondContact O-CG 3.21Å; N343-L347 PolarHBondContact O-N 3.23Å; Y344-L347 PolarHBondContact O-N 2.95Å; L347-L372 HydrophobicContact CB-CD2 3.58Å; L347-L372 HydrophobicContact CD1-CD2 4.15Å; L347-L372 HydrophobicContact CG-CD2 4.4Å; L347-V376 HydrophobicContact CD1-CG2 4.29Å; L347-T687 HydrophobicContact CD2-CG2 3.85Å; L347-T687 HydrophobicContact CG-CG2 4Å; L347-L689 HydrophobicContact CD2-CD1 4.47Å; L347-V692 HydrophobicContact CD1-CG2 4.19Å; L347-V692 HydrophobicContact CD2-CG2 4.25Å
348	S	69.8	Low	72.1	Confident	29 Å²	29	36.9 Å²	36.9	20%	0.203	18%	0.176	C	C	.	.	H	α-helix	trans	-71.3	-32.2	178.4	63.6	0	0	0	0	113.2	Y344 Y345 A346 K352	Y344-S348 VanDerWaalsContact O-CB 3.26Å; Y344-S348 WeakPolarHBondContact O-CB 3.4Å; Y344-S348 PolarHBondContact O-N 3.32Å; Y344-S348 PolarHBondContact O-OG 3.3Å; Y345-S348 WeakPolarHBondContact CA-OG 3.35Å; Y345-S348 PolarHBondContact O-N 3.44Å; Y345-S348 PolarHBondContact O-OG 2.93Å; A346-S348 PolarHBondContact O-N 3.49Å; S348-K352 WeakPolarHBondContact O-CE 3.15Å
349	H	66.8	Low	72.2	Confident	121 Å²	121	36.8 Å²	36.8	56%	0.56	18%	0.175	S	C	*	.	H	α-helix	trans	-86.6	-14.8	179.5	-76.8	72	0	0	0	113.8	Y345 A346	Y345-H349 AromaticContact CD1-CE1 3.9Å; Y345-H349 AromaticContact CD1-ND1 3.63Å; Y345-H349 AromaticContact CD2-CE1 3.8Å; Y345-H349 AromaticContact CE1-CE1 3.42Å; Y345-H349 VanDerWaalsContact CE1-CE1 3.42Å; Y345-H349 WeakPolarHBondContact CE1-CE1 3.41Å; Y345-H349 AromaticContact CE1-ND1 3.53Å; Y345-H349 AromaticContact CE1-NE2 3.84Å; Y345-H349 AromaticContact CE2-CE1 3.31Å; Y345-H349 WeakPolarHBondContact CE2-CE1 3.4Å; Y345-H349 AromaticContact CE2-ND1 3.98Å; Y345-H349 AromaticContact CG-ND1 3.93Å; Y345-H349 AromaticContact CZ-CE1 3.11Å; Y345-H349 AromaticContact CZ-ND1 3.72Å; Y345-H349 AromaticContact CZ-NE2 3.5Å; Y345-H349 PolarHBondContact O-N 3.37Å; Y345-H349 VanDerWaalsContact O-N 3.12Å; Y345-H349 PolarHBondContact O-ND1 3Å; Y345-H349 PolarHBondContact OH-CE1 3.26Å; Y345-H349 PolarHBondContact OH-NE2 3.48Å; A346-H349 PolarHBondContact O-N 2.94Å
350	Q	67.2	Low	72.5	Confident	77 Å²	77	35.9 Å²	35.9	36%	0.36	17%	0.169	S	C	.	.	S	Bend	trans	-64.2	148.3	170.8	-81.6	-178.3	-9.1	0	0	111.4	A346 K352	A346-Q350 WeakPolarHBondContact O-CG 3.22Å; A346-Q350 PolarHBondContact O-N 2.92Å; Q350-K352 WeakPolarHBondContact O-CG 3.49Å; Q350-K352 PolarHBondContact O-N 3.35Å
351	Q	62.6	Low	72.8	Confident	144 Å²	144	33 Å²	33	67%	0.673	16%	0.157	S	C	*	.	P	Polyproline II helix	trans	-65.8	125.8	172.9	-69.7	-170.6	-29.1	0	0	109.9
352	K	74.6	Confident	72.9	Confident	33 Å²	33	31.3 Å²	31.3	14%	0.143	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-100.2	146.6	-173.8	-48.6	178.8	-164.7	162.4	0	110.5	S348 Q350 F356 Y357 L689	S348-K352 WeakPolarHBondContact O-CE 3.15Å; Q350-K352 WeakPolarHBondContact O-CG 3.49Å; Q350-K352 PolarHBondContact O-N 3.35Å; K352-F356 HydrophobicContact CB-CB 4.34Å; K352-F356 HydrophobicContact CB-CD1 3.85Å; K352-F356 HydrophobicContact CB-CG 4.15Å; K352-F356 HydrophobicContact CD-CD1 3.65Å; K352-F356 HydrophobicContact CD-CE1 3.44Å; K352-F356 VanDerWaalsContact CD-CE1 3.44Å; K352-F356 HydrophobicContact CD-CG 4.47Å; K352-F356 HydrophobicContact CD-CZ 4.06Å; K352-F356 HydrophobicContact CG-CD1 4.22Å; K352-F356 HydrophobicContact CG-CE1 4.41Å; K352-Y357 HydrophobicContact CB-CE1 4.23Å; K352-Y357 HydrophobicContact CB-CE2 3.86Å; K352-Y357 HydrophobicContact CD-CE1 3.89Å; K352-L689 HydrophobicContact CB-CD2 4.22Å; K352-L689 HydrophobicContact CG-CD2 4.38Å
353	S	69.3	Low	73.1	Confident	18 Å²	18	32 Å²	32	13%	0.126	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-79.3	163.5	178.2	62.1	0	0	0	0	112.4	E101 A355 F356 Y357	E101-S353 WeakPolarHBondContact OE1-CB 3.37Å; E101-S353 PolarHBondContact OE1-OG 3.09Å; E101-S353 VanDerWaalsContact OE2-CB 3.3Å; E101-S353 WeakPolarHBondContact OE2-CB 3.41Å; E101-S353 PolarHBondContact OE2-OG 2.89Å; E101-S353 VanDerWaalsContact OE2-OG 3.05Å; S353-A355 VanDerWaalsContact C-N 3.26Å; S353-A355 PolarHBondContact O-N 2.9Å; S353-F356 WeakPolarHBondContact O-CB 3.32Å; S353-F356 PolarHBondContact O-N 3.49Å; S353-F356 PolarHBondContact OG-N 3.37Å; S353-Y357 WeakPolarHBondContact O-CD2 3.19Å; S353-Y357 PolarHBondContact O-N 3.35Å
354	R	69	Low	73.1	Confident	14 Å²	14	33.9 Å²	33.9	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-40.6	173.5	-174.3	-166.2	179.4	-168.8	6.1	111.8	M137 S141 F356 Y357 R358 D801 N821	M137-R354 PolarHBondContact O-NH1 2.88Å; M137-R354 HydrophobicContact SD-CB 4.21Å; S141-R354 VanDerWaalsContact CB-NH1 3.32Å; S141-R354 VanDerWaalsContact OG-CZ 3.26Å; S141-R354 PolarHBondContact OG-NH1 3.37Å; S141-R354 PolarHBondContact OG-NH2 3.37Å; R354-F356 VanDerWaalsContact C-N 3.26Å; R354-F356 PolarHBondContact O-N 3.32Å; R354-Y357 PolarHBondContact O-N 3.45Å; R354-R358 PolarHBondContact O-N 2.91Å; R354-R358 VanDerWaalsContact O-N 3.07Å; R354-D801 IonicContact CZ-OD1 3.61Å; R354-D801 IonicContact NH2-OD1 2.73Å; R354-D801 PolarHBondContact NH2-OD1 3.05Å; R354-D801 IonicContact NH2-OD2 3.45Å; R354-D801 PolarHBondContact NH2-OD2 3.33Å; R354-N821 WeakPolarHBondContact CD-ND2 3.36Å; R354-N821 WeakPolarHBondContact CG-ND2 3.2Å
355	A	71.1	Confident	73	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-45.2	178.1	0	0	0	0	0	110.2	M97 E101 S353 Y357 R358 I359	M97-A355 HydrophobicContact CB-CB 4.2Å; M97-A355 HydrophobicContact CE-CB 3.88Å; E101-A355 HydrophobicContact CB-CB 3.9Å; E101-A355 HydrophobicContact CG-CB 4.31Å; E101-A355 WeakPolarHBondContact OE2-CB 3.39Å; S353-A355 VanDerWaalsContact C-N 3.26Å; S353-A355 PolarHBondContact O-N 2.9Å; A355-Y357 PolarHBondContact O-N 3.46Å; A355-R358 PolarHBondContact O-N 2.6Å; A355-I359 HydrophobicContact CB-CD1 4.42Å; A355-I359 WeakPolarHBondContact O-CB 3.3Å; A355-I359 VanDerWaalsContact O-CD1 3.32Å; A355-I359 WeakPolarHBondContact O-CD1 3.32Å; A355-I359 WeakPolarHBondContact O-CG1 3.44Å; A355-I359 PolarHBondContact O-N 3.08Å
356	F	80.1	Confident	73	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-55.8	-52.5	176.1	179.6	-81.9	0	0	0	112.4	K352 S353 R354 R358 I359 Q360 I371 L372 L689 V693	K352-F356 HydrophobicContact CB-CB 4.34Å; K352-F356 HydrophobicContact CB-CD1 3.85Å; K352-F356 HydrophobicContact CB-CG 4.15Å; K352-F356 HydrophobicContact CD-CD1 3.65Å; K352-F356 HydrophobicContact CD-CE1 3.44Å; K352-F356 VanDerWaalsContact CD-CE1 3.44Å; K352-F356 HydrophobicContact CD-CG 4.47Å; K352-F356 HydrophobicContact CD-CZ 4.06Å; K352-F356 HydrophobicContact CG-CD1 4.22Å; K352-F356 HydrophobicContact CG-CE1 4.41Å; S353-F356 WeakPolarHBondContact O-CB 3.32Å; S353-F356 PolarHBondContact O-N 3.49Å; S353-F356 PolarHBondContact OG-N 3.37Å; R354-F356 VanDerWaalsContact C-N 3.26Å; R354-F356 PolarHBondContact O-N 3.32Å; F356-R358 VanDerWaalsContact C-N 3.31Å; F356-R358 PolarHBondContact O-N 3.47Å; F356-I359 PolarHBondContact O-N 3.39Å; F356-Q360 HydrophobicContact CE1-CB 4.38Å; F356-Q360 VanDerWaalsContact CE1-OE1 3.28Å; F356-Q360 WeakPolarHBondContact O-CB 3.35Å; F356-Q360 PolarHBondContact O-N 3.15Å; F356-I371 HydrophobicContact CD2-CG2 4.14Å; F356-I371 HydrophobicContact CE1-CG2 4.4Å; F356-I371 HydrophobicContact CE2-CG2 3.26Å; F356-I371 HydrophobicContact CZ-CG2 3.4Å; F356-I371 VanDerWaalsContact CZ-CG2 3.4Å; F356-L372 HydrophobicContact CE1-CD1 4.47Å; F356-L372 HydrophobicContact CE2-CD1 4.2Å; F356-L372 HydrophobicContact CE2-CD2 4.17Å; F356-L372 HydrophobicContact CE2-CG 3.85Å; F356-L372 HydrophobicContact CZ-CD1 3.58Å; F356-L372 HydrophobicContact CZ-CD2 4.37Å; F356-L372 HydrophobicContact CZ-CG 3.64Å; F356-L689 HydrophobicContact CD2-CD1 4.26Å; F356-L689 HydrophobicContact CD2-CG 4.42Å; F356-L689 HydrophobicContact CE2-CD1 4.25Å; F356-V693 HydrophobicContact CB-CG2 4.45Å; F356-V693 HydrophobicContact CD2-CG2 3.87Å
357	Y	75.9	Confident	72.9	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-37.5	-177.6	-71.6	-54.6	0	0	0	113.2	K352 S353 R354 A355 A361 V807 A808 Q811 D812	K352-Y357 HydrophobicContact CB-CE1 4.23Å; K352-Y357 HydrophobicContact CB-CE2 3.86Å; K352-Y357 HydrophobicContact CD-CE1 3.89Å; S353-Y357 WeakPolarHBondContact O-CD2 3.19Å; S353-Y357 PolarHBondContact O-N 3.35Å; R354-Y357 PolarHBondContact O-N 3.45Å; A355-Y357 PolarHBondContact O-N 3.46Å; Y357-A361 WeakPolarHBondContact O-CB 3.49Å; Y357-A361 PolarHBondContact O-N 2.9Å; Y357-V807 HydrophobicContact CD1-CG1 3.76Å; Y357-V807 HydrophobicContact CE1-CG1 4.45Å; Y357-A808 HydrophobicContact CD2-CB 3.69Å; Y357-A808 HydrophobicContact CE2-CB 4.07Å; Y357-A808 HydrophobicContact CG-CB 4.01Å; Y357-Q811 HydrophobicContact CE1-CB 3.79Å; Y357-Q811 HydrophobicContact CE1-CG 4.33Å; Y357-Q811 VanDerWaalsContact CE1-OE1 3.31Å; Y357-D812 VanDerWaalsContact CE2-OD2 3.28Å; Y357-D812 WeakPolarHBondContact CE2-OD2 3.4Å; Y357-D812 VanDerWaalsContact OH-CG 3.26Å; Y357-D812 PolarHBondContact OH-OD1 3.24Å
358	R	74.4	Confident	72.9	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-67.7	-48.2	176.7	-175.1	169	172.4	-168.9	16.4	111.6	A93 M97 G140 S141 R354 A355 F356 Q360 A361 T362 A804	A93-R358 VanDerWaalsContact CB-NH2 3.32Å; M97-R358 VanDerWaalsContact CG-NH1 3.27Å; M97-R358 PolarHBondContact SD-NH1 3.08Å; M97-R358 VanDerWaalsContact SD-NH1 3.4Å; G140-R358 PolarHBondContact O-NH1 3.44Å; S141-R358 VanDerWaalsContact CA-NH1 3.25Å; R354-R358 PolarHBondContact O-N 2.91Å; R354-R358 VanDerWaalsContact O-N 3.07Å; A355-R358 PolarHBondContact O-N 2.6Å; F356-R358 VanDerWaalsContact C-N 3.31Å; F356-R358 PolarHBondContact O-N 3.47Å; R358-Q360 VanDerWaalsContact C-N 3.33Å; R358-Q360 PolarHBondContact O-N 3.43Å; R358-A361 PolarHBondContact O-N 3.21Å; R358-T362 PolarHBondContact O-N 3.49Å; R358-T362 PolarHBondContact O-OG1 3.41Å; R358-A804 HydrophobicContact CB-CB 3.64Å; R358-A804 HydrophobicContact CG-CB 4.03Å
359	I	76.7	Confident	73.1	Confident	5 Å²	5	27.2 Å²	27.2	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-44.3	178.3	-66.7	163.9	0	0	0	109.9	D94 M97 A98 A355 F356 A361 T362 R363 I371 V693	D94-I359 HydrophobicContact CB-CG1 4.09Å; M97-I359 HydrophobicContact CB-CD1 4.45Å; A98-I359 HydrophobicContact CB-CD1 3.78Å; A355-I359 HydrophobicContact CB-CD1 4.42Å; A355-I359 WeakPolarHBondContact O-CB 3.3Å; A355-I359 VanDerWaalsContact O-CD1 3.32Å; A355-I359 WeakPolarHBondContact O-CD1 3.32Å; A355-I359 WeakPolarHBondContact O-CG1 3.44Å; A355-I359 PolarHBondContact O-N 3.08Å; F356-I359 PolarHBondContact O-N 3.39Å; I359-A361 PolarHBondContact O-N 2.69Å; I359-T362 PolarHBondContact O-N 3.22Å; I359-R363 HydrophobicContact CG2-CG 4.25Å; I359-R363 WeakPolarHBondContact O-CB 3.31Å; I359-R363 WeakPolarHBondContact O-CG 3.13Å; I359-R363 PolarHBondContact O-N 2.97Å; I359-I371 HydrophobicContact CG2-CD1 4.06Å; I359-V693 HydrophobicContact CD1-CG1 3.37Å
360	Q	80.1	Confident	73.6	Confident	5 Å²	5	22.7 Å²	22.7	2%	0.023	11%	0.113	C	C	.	.	H	α-helix	trans	-59.7	-45.4	176.3	-173.7	179.1	15.3	0	0	111.6	F356 R358 R363 M364 N370	F356-Q360 HydrophobicContact CE1-CB 4.38Å; F356-Q360 VanDerWaalsContact CE1-OE1 3.28Å; F356-Q360 WeakPolarHBondContact O-CB 3.35Å; F356-Q360 PolarHBondContact O-N 3.15Å; R358-Q360 VanDerWaalsContact C-N 3.33Å; R358-Q360 PolarHBondContact O-N 3.43Å; Q360-R363 PolarHBondContact O-N 3.01Å; Q360-M364 HydrophobicContact CG-CE 4.48Å; Q360-M364 HydrophobicContact CG-SD 4.23Å; Q360-M364 WeakPolarHBondContact O-CG 3.39Å; Q360-M364 PolarHBondContact O-N 3.14Å; Q360-N370 PolarHBondContact NE2-OD1 3.34Å
361	A	76.5	Confident	74	Confident	6 Å²	6	19.5 Å²	19.5	5%	0.05	10%	0.098	C	C	.	.	H	α-helix	trans	-61.7	-46.6	179.8	0	0	0	0	0	112.5	Y357 R358 I359 R363 M364 M365 F803 V807	Y357-A361 WeakPolarHBondContact O-CB 3.49Å; Y357-A361 PolarHBondContact O-N 2.9Å; R358-A361 PolarHBondContact O-N 3.21Å; I359-A361 PolarHBondContact O-N 2.69Å; A361-R363 VanDerWaalsContact C-N 3.35Å; A361-M364 PolarHBondContact O-N 3.46Å; A361-M365 WeakPolarHBondContact O-CG 3.25Å; A361-M365 PolarHBondContact O-N 3.12Å; A361-F803 HydrophobicContact CB-CB 3.88Å; A361-V807 HydrophobicContact CB-CG2 4.15Å
362	T	74.9	Confident	74.4	Confident	3 Å²	3	12.8 Å²	12.8	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-70.4	-33.2	178.8	-46.8	0	0	0	0	112.1	I91 D94 R358 I359 M365 T366	I91-T362 HydrophobicContact CG1-CG2 4.44Å; D94-T362 VanDerWaalsContact CG-CB 3.47Å; D94-T362 WeakPolarHBondContact OD1-CB 3.45Å; D94-T362 PolarHBondContact OD1-OG1 3.43Å; D94-T362 WeakPolarHBondContact OD2-CB 3.02Å; D94-T362 WeakPolarHBondContact OD2-CG2 3.38Å; D94-T362 PolarHBondContact OD2-OG1 2.97Å; D94-T362 VanDerWaalsContact OD2-OG1 3.12Å; R358-T362 PolarHBondContact O-N 3.49Å; R358-T362 PolarHBondContact O-OG1 3.41Å; I359-T362 PolarHBondContact O-N 3.22Å; T362-M365 HydrophobicContact CG2-CE 4.33Å; T362-M365 PolarHBondContact O-N 2.87Å; T362-T366 HydrophobicContact CG2-CG2 4.06Å; T362-T366 WeakPolarHBondContact O-CB 3.3Å; T362-T366 WeakPolarHBondContact O-CG2 3.45Å; T362-T366 PolarHBondContact O-N 3.4Å; T362-T366 PolarHBondContact O-OG1 3.02Å
363	R	78	Confident	74.2	Confident	14 Å²	14	13.9 Å²	13.9	5%	0.053	7%	0.072	C	C	.	.	H	α-helix	trans	-61.7	-43.9	172.4	-74.1	175.9	74	88.7	17.3	112	I359 Q360 A361 T366 G367 A368 E704	I359-R363 HydrophobicContact CG2-CG 4.25Å; I359-R363 WeakPolarHBondContact O-CB 3.31Å; I359-R363 WeakPolarHBondContact O-CG 3.13Å; I359-R363 PolarHBondContact O-N 2.97Å; Q360-R363 PolarHBondContact O-N 3.01Å; A361-R363 VanDerWaalsContact C-N 3.35Å; R363-T366 PolarHBondContact O-N 2.83Å; R363-T366 PolarHBondContact O-OG1 3.33Å; R363-G367 PolarHBondContact O-N 2.95Å; R363-G367 VanDerWaalsContact O-N 3.16Å; R363-A368 HydrophobicContact CB-CB 4.03Å; R363-A368 HydrophobicContact CG-CB 4.22Å; R363-A368 PolarHBondContact NH2-O 2.97Å; R363-A368 PolarHBondContact O-N 2.82Å; R363-E704 IonicContact CZ-OE1 3.84Å; R363-E704 VanDerWaalsContact NH1-CD 3.3Å; R363-E704 IonicContact NH1-OE1 3.75Å; R363-E704 PolarHBondContact NH1-OE1 3.15Å; R363-E704 IonicContact NH1-OE2 2.59Å; R363-E704 PolarHBondContact NH1-OE2 3.31Å; R363-E704 IonicContact NH2-OE1 2.76Å; R363-E704 PolarHBondContact NH2-OE1 3.42Å
364	M	74.3	Confident	74.3	Confident	57 Å²	57	14.9 Å²	14.9	28%	0.281	7%	0.074	S	C	.	.	H	α-helix	trans	-61.6	-45	173.4	-73.7	172.9	154.5	0	0	111.4	Q360 A361 T366 G367 D711	Q360-M364 HydrophobicContact CG-CE 4.48Å; Q360-M364 HydrophobicContact CG-SD 4.23Å; Q360-M364 WeakPolarHBondContact O-CG 3.39Å; Q360-M364 PolarHBondContact O-N 3.14Å; A361-M364 PolarHBondContact O-N 3.46Å; M364-T366 PolarHBondContact O-N 3.42Å; M364-G367 PolarHBondContact O-N 2.94Å; M364-D711 WeakPolarHBondContact CE-OD1 3.27Å
365	M	72.8	Confident	74.4	Confident	48 Å²	48	16 Å²	16	24%	0.236	8%	0.079	C	C	.	.	H	α-helix	trans	-63.6	-25.7	177.3	-70.8	-170	-66	0	0	114.1	A361 T362 M730 F803	A361-M365 WeakPolarHBondContact O-CG 3.25Å; A361-M365 PolarHBondContact O-N 3.12Å; T362-M365 HydrophobicContact CG2-CE 4.33Å; T362-M365 PolarHBondContact O-N 2.87Å; M365-M730 WeakPolarHBondContact O-CB 3.42Å; M365-M730 WeakPolarHBondContact O-CE 3.27Å; M365-F803 HydrophobicContact CE-CD2 3.86Å; M365-F803 HydrophobicContact CE-CE2 4.37Å; M365-F803 HydrophobicContact CE-CG 4.33Å; M365-F803 HydrophobicContact SD-CD1 4.43Å; M365-F803 HydrophobicContact SD-CD2 3.44Å; M365-F803 WeakPolarHBondContact SD-CD2 3.23Å; M365-F803 HydrophobicContact SD-CE1 4.43Å; M365-F803 HydrophobicContact SD-CE2 3.42Å; M365-F803 WeakPolarHBondContact SD-CE2 3.33Å; M365-F803 HydrophobicContact SD-CG 3.98Å; M365-F803 HydrophobicContact SD-CZ 3.95Å
366	T	75.6	Confident	74.2	Confident	8 Å²	8	16.3 Å²	16.3	5%	0.049	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	6.1	-176	61.9	0	0	0	0	113.1	I91 T362 R363 M364 T734 K738	I91-T366 HydrophobicContact CD1-CG2 4.22Å; I91-T366 HydrophobicContact CG1-CG2 4.04Å; T362-T366 HydrophobicContact CG2-CG2 4.06Å; T362-T366 WeakPolarHBondContact O-CB 3.3Å; T362-T366 WeakPolarHBondContact O-CG2 3.45Å; T362-T366 PolarHBondContact O-N 3.4Å; T362-T366 PolarHBondContact O-OG1 3.02Å; R363-T366 PolarHBondContact O-N 2.83Å; R363-T366 PolarHBondContact O-OG1 3.33Å; M364-T366 PolarHBondContact O-N 3.42Å; T366-T734 HydrophobicContact CG2-CG2 3.9Å; T366-K738 PolarHBondContact O-NZ 3.38Å
367	G	70.2	Confident	73.5	Confident	2 Å²	2	18.1 Å²	18.1	2%	0.021	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	29.1	-180	0	0	0	0	0	114.4	R363 M364 S709	R363-G367 PolarHBondContact O-N 2.95Å; R363-G367 VanDerWaalsContact O-N 3.16Å; M364-G367 PolarHBondContact O-N 2.94Å; G367-S709 PolarHBondContact O-N 3.33Å; G367-S709 VanDerWaalsContact O-N 3.15Å
368	A	71	Confident	73.1	Confident	7 Å²	7	20.4 Å²	20.4	6%	0.058	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-101.2	5.4	179.2	0	0	0	0	0	113.9	R363	R363-A368 HydrophobicContact CB-CB 4.03Å; R363-A368 HydrophobicContact CG-CB 4.22Å; R363-A368 PolarHBondContact NH2-O 2.97Å; R363-A368 PolarHBondContact O-N 2.82Å
369	G	73.7	Confident	72.7	Confident	4 Å²	4	23 Å²	23	4%	0.041	12%	0.119	C	C	.	.			trans	65.4	-175.6	173.7	0	0	0	0	0	116
370	N	78.2	Confident	72	Confident	25 Å²	25	24 Å²	24	13%	0.134	13%	0.129	C	C	.	.			trans	-76.2	126.2	-179.3	-172.4	-20.6	0	0	0	112.2	Q360 L372 K373 K374	Q360-N370 PolarHBondContact NE2-OD1 3.34Å; N370-L372 PolarHBondContact O-N 3.28Å; N370-L372 PolarHBondContact OD1-N 2.91Å; N370-L372 VanDerWaalsContact OD1-N 3.15Å; N370-K373 HydrophobicContact CB-CB 4.41Å; N370-K373 HydrophobicContact CB-CG 4.47Å; N370-K374 WeakPolarHBondContact O-CB 3.31Å; N370-K374 PolarHBondContact O-N 3.5Å
371	I	74.9	Confident	71.2	Confident	11 Å²	11	30.8 Å²	30.8	6%	0.056	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-38.7	-175.6	-164.6	172.1	0	0	0	113.5	F356 I359 H375 V692 V693	F356-I371 HydrophobicContact CD2-CG2 4.14Å; F356-I371 HydrophobicContact CE1-CG2 4.4Å; F356-I371 HydrophobicContact CE2-CG2 3.26Å; F356-I371 HydrophobicContact CZ-CG2 3.4Å; F356-I371 VanDerWaalsContact CZ-CG2 3.4Å; I359-I371 HydrophobicContact CG2-CD1 4.06Å; I371-H375 WeakPolarHBondContact O-CB 3.33Å; I371-H375 PolarHBondContact O-N 2.99Å; I371-H375 VanDerWaalsContact O-N 3.1Å; I371-V692 HydrophobicContact CG1-CG1 4.26Å; I371-V693 HydrophobicContact CD1-CG2 4.38Å
372	L	71.5	Confident	70.5	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-69.4	-51.2	-177.3	-77	167	0	0	0	111.2	Y344 L347 F356 N370 K374 H375 V376 L689 V692	Y344-L372 HydrophobicContact CD2-CB 4.13Å; Y344-L372 HydrophobicContact CE2-CB 3.83Å; L347-L372 HydrophobicContact CB-CD2 3.58Å; L347-L372 HydrophobicContact CD1-CD2 4.15Å; L347-L372 HydrophobicContact CG-CD2 4.4Å; F356-L372 HydrophobicContact CE1-CD1 4.47Å; F356-L372 HydrophobicContact CE2-CD1 4.2Å; F356-L372 HydrophobicContact CE2-CD2 4.17Å; F356-L372 HydrophobicContact CE2-CG 3.85Å; F356-L372 HydrophobicContact CZ-CD1 3.58Å; F356-L372 HydrophobicContact CZ-CD2 4.37Å; F356-L372 HydrophobicContact CZ-CG 3.64Å; N370-L372 PolarHBondContact O-N 3.28Å; N370-L372 PolarHBondContact OD1-N 2.91Å; N370-L372 VanDerWaalsContact OD1-N 3.15Å; L372-K374 VanDerWaalsContact C-N 3.31Å; L372-K374 PolarHBondContact O-N 3.43Å; L372-H375 PolarHBondContact O-N 3.48Å; L372-V376 VanDerWaalsContact O-CG2 3.32Å; L372-V376 WeakPolarHBondContact O-CG2 3.4Å; L372-V376 PolarHBondContact O-N 2.62Å; L372-V376 VanDerWaalsContact O-N 3.11Å; L372-L689 HydrophobicContact CD2-CD1 4.26Å; L372-V692 HydrophobicContact CD2-CG1 4.17Å
373	K	70.9	Confident	69.6	Low	55 Å²	55	39.5 Å²	39.5	24%	0.239	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-45.1	178.9	-71.6	-171.5	167.5	-170	0	111.2	Y344 N370 H375 V376 A377 E712	Y344-K373 HydrophobicContact CD2-CG 4.05Å; Y344-K373 HydrophobicContact CE2-CB 4.39Å; Y344-K373 HydrophobicContact CE2-CG 3.4Å; N370-K373 HydrophobicContact CB-CB 4.41Å; N370-K373 HydrophobicContact CB-CG 4.47Å; K373-H375 PolarHBondContact O-N 3.05Å; K373-V376 PolarHBondContact O-N 3.34Å; K373-A377 WeakPolarHBondContact O-CB 3.4Å; K373-A377 PolarHBondContact O-N 3.41Å; K373-E712 PolarHBondContact NZ-O 2.92Å; K373-E712 IonicContact NZ-OE2 3.8Å; K373-E712 PolarHBondContact NZ-OE2 3.33Å
374	K	70.4	Confident	68.4	Low	40 Å²	40	44.1 Å²	44.1	17%	0.174	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-46	178	-178.6	179.7	169.8	-179.1	0	112.4	N370 L372 V376 A377 E378 E704	N370-K374 WeakPolarHBondContact O-CB 3.31Å; N370-K374 PolarHBondContact O-N 3.5Å; L372-K374 VanDerWaalsContact C-N 3.31Å; L372-K374 PolarHBondContact O-N 3.43Å; K374-V376 VanDerWaalsContact C-N 3.31Å; K374-V376 PolarHBondContact O-N 2.85Å; K374-A377 PolarHBondContact O-N 3.47Å; K374-E378 WeakPolarHBondContact CE-OE1 3.34Å; K374-E378 HydrophobicContact CG-CG 4.45Å; K374-E378 IonicContact NZ-OE1 3.47Å; K374-E378 WeakPolarHBondContact O-CB 3.41Å; K374-E378 WeakPolarHBondContact O-CG 3.41Å; K374-E378 PolarHBondContact O-N 2.84Å; K374-E704 IonicContact NZ-OE1 3.39Å; K374-E704 PolarHBondContact NZ-OE1 3.29Å
375	H	70.9	Confident	67.2	Low	37 Å²	37	45.5 Å²	45.5	17%	0.171	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-41.8	-179.4	-172.9	87.8	0	0	0	111.8	I371 L372 K373 E378 Q379 V692	I371-H375 WeakPolarHBondContact O-CB 3.33Å; I371-H375 PolarHBondContact O-N 2.99Å; I371-H375 VanDerWaalsContact O-N 3.1Å; L372-H375 PolarHBondContact O-N 3.48Å; K373-H375 PolarHBondContact O-N 3.05Å; H375-E378 PolarHBondContact O-N 3.49Å; H375-Q379 PolarHBondContact NE2-NE2 2.9Å; H375-Q379 WeakPolarHBondContact O-CG 3.45Å; H375-Q379 PolarHBondContact O-N 3.24Å; H375-V692 HydrophobicContact CB-CG1 3.88Å
376	V	67.4	Low	66	Low	7 Å²	7	48.8 Å²	48.8	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-46.5	177.2	178.7	0	0	0	0	110.5	E340 L347 L372 K373 K374 E378 Q379 A380	E340-V376 HydrophobicContact CB-CG1 4.12Å; E340-V376 HydrophobicContact CG-CG1 3.52Å; L347-V376 HydrophobicContact CD1-CG2 4.29Å; L372-V376 VanDerWaalsContact O-CG2 3.32Å; L372-V376 WeakPolarHBondContact O-CG2 3.4Å; L372-V376 PolarHBondContact O-N 2.62Å; L372-V376 VanDerWaalsContact O-N 3.11Å; K373-V376 PolarHBondContact O-N 3.34Å; K374-V376 VanDerWaalsContact C-N 3.31Å; K374-V376 PolarHBondContact O-N 2.85Å; V376-E378 VanDerWaalsContact C-N 3.35Å; V376-E378 PolarHBondContact O-N 2.97Å; V376-Q379 PolarHBondContact O-N 2.86Å; V376-A380 PolarHBondContact O-N 3.17Å
377	A	66.1	Low	64.1	Low	38 Å²	38	56.5 Å²	56.5	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-35.9	176.4	0	0	0	0	0	113.5	K373 K374 K381	K373-A377 WeakPolarHBondContact O-CB 3.4Å; K373-A377 PolarHBondContact O-N 3.41Å; K374-A377 PolarHBondContact O-N 3.47Å; A377-K381 WeakPolarHBondContact O-CG 3.17Å; A377-K381 PolarHBondContact O-N 3.41Å; A377-K381 VanDerWaalsContact O-N 3.11Å
378	E	66.6	Low	62.6	Low	52 Å²	52	64.9 Å²	64.9	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-71.3	-34.7	175	-78.2	-175.9	178.9	0	0	112.7	K374 H375 V376 K382	K374-E378 WeakPolarHBondContact CE-OE1 3.34Å; K374-E378 HydrophobicContact CG-CG 4.45Å; K374-E378 IonicContact NZ-OE1 3.47Å; K374-E378 WeakPolarHBondContact O-CB 3.41Å; K374-E378 WeakPolarHBondContact O-CG 3.41Å; K374-E378 PolarHBondContact O-N 2.84Å; H375-E378 PolarHBondContact O-N 3.49Å; V376-E378 VanDerWaalsContact C-N 3.35Å; V376-E378 PolarHBondContact O-N 2.97Å; E378-K382 WeakPolarHBondContact O-CG 3.35Å; E378-K382 PolarHBondContact O-N 3.37Å
379	Q	65.1	Low	60.8	Low	55 Å²	55	70.5 Å²	70.5	26%	0.257	38%	0.379	S	S	.	.	H	α-helix	trans	-65.5	-42.3	172.2	-77	-166	5.4	0	0	111.4	H375 V376 K381 K382 S383	H375-Q379 PolarHBondContact NE2-NE2 2.9Å; H375-Q379 WeakPolarHBondContact O-CG 3.45Å; H375-Q379 PolarHBondContact O-N 3.24Å; V376-Q379 PolarHBondContact O-N 2.86Å; Q379-K381 VanDerWaalsContact C-N 3.34Å; Q379-K381 PolarHBondContact O-N 3.3Å; Q379-K382 PolarHBondContact O-N 3.19Å; Q379-K382 VanDerWaalsContact O-N 3.14Å; Q379-S383 PolarHBondContact O-N 3.45Å; Q379-S383 PolarHBondContact O-OG 3.09Å; Q379-S383 VanDerWaalsContact O-OG 3.1Å
380	A	62.4	Low	58.7	Low	28 Å²	28	78.3 Å²	78.3	23%	0.231	41%	0.414	C	S	.	.	H	α-helix	trans	-58.5	-45.6	175.4	0	0	0	0	0	111.5	V376 K382 S383 T384	V376-A380 PolarHBondContact O-N 3.17Å; A380-K382 VanDerWaalsContact C-N 3.32Å; A380-K382 PolarHBondContact O-N 3.44Å; A380-S383 WeakPolarHBondContact CA-OG 3.45Å; A380-S383 PolarHBondContact O-N 3.03Å; A380-S383 PolarHBondContact O-OG 3.36Å; A380-T384 PolarHBondContact O-N 2.82Å; A380-T384 PolarHBondContact O-OG1 3.11Å
381	K	64.3	Low	56.6	Low	147 Å²	147	82.6 Å²	82.6	64%	0.639	44%	0.441	S	S	*	.	H	α-helix	trans	-62.3	-36.3	175.2	-72.3	175.6	-177	178.4	0	112.9	A377 Q379 S385	A377-K381 WeakPolarHBondContact O-CG 3.17Å; A377-K381 PolarHBondContact O-N 3.41Å; A377-K381 VanDerWaalsContact O-N 3.11Å; Q379-K381 VanDerWaalsContact C-N 3.34Å; Q379-K381 PolarHBondContact O-N 3.3Å; K381-S385 PolarHBondContact O-N 3.34Å
382	K	61.5	Low	54.5	Low	119 Å²	119	89.9 Å²	89.9	52%	0.517	48%	0.475	S	S	.	.	H	α-helix	trans	-70.2	-39.6	176.5	-77.4	172.7	-177.4	165.8	0	111.9	E378 Q379 A380 S385 V386	E378-K382 WeakPolarHBondContact O-CG 3.35Å; E378-K382 PolarHBondContact O-N 3.37Å; Q379-K382 PolarHBondContact O-N 3.19Å; Q379-K382 VanDerWaalsContact O-N 3.14Å; A380-K382 VanDerWaalsContact C-N 3.32Å; A380-K382 PolarHBondContact O-N 3.44Å; K382-S385 PolarHBondContact O-N 2.99Å; K382-S385 PolarHBondContact O-OG 3.38Å; K382-V386 WeakPolarHBondContact O-CG2 3.47Å
383	S	55.1	Low	52.7	Low	73 Å²	73	98.2 Å²	98.2	51%	0.51	51%	0.514	S	S	.	.	H	α-helix	trans	-64.9	-39	177.4	37.5	0	0	0	0	112.8	Q379 A380 S385 V386	Q379-S383 PolarHBondContact O-N 3.45Å; Q379-S383 PolarHBondContact O-OG 3.09Å; Q379-S383 VanDerWaalsContact O-OG 3.1Å; A380-S383 WeakPolarHBondContact CA-OG 3.45Å; A380-S383 PolarHBondContact O-N 3.03Å; A380-S383 PolarHBondContact O-OG 3.36Å; S383-S385 PolarHBondContact O-N 3.44Å; S383-V386 PolarHBondContact O-N 3.4Å
384	T	53.2	Low	51.5	Low	110 Å²	110	100.7 Å²	100.7	68%	0.675	54%	0.535	S	S	*	.	H	α-helix	trans	-64.3	-28.9	176.8	-45.4	0	0	0	0	112.6	A380	A380-T384 PolarHBondContact O-N 2.82Å; A380-T384 PolarHBondContact O-OG1 3.11Å
385	S	50.5	Low	50.4	Low	87 Å²	87	107.1 Å²	107.1	61%	0.608	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-7.2	-178.1	66.5	0	0	0	0	115.6	K381 K382 S383	K381-S385 PolarHBondContact O-N 3.34Å; K382-S385 PolarHBondContact O-N 2.99Å; K382-S385 PolarHBondContact O-OG 3.38Å; S383-S385 PolarHBondContact O-N 3.44Å
386	V	47.3	Very low	49.7	Very low	116 Å²	116	112.2 Å²	112.2	70%	0.703	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-4.8	-175.2	176.2	0	0	0	0	112.5	K382 S383 E388	K382-V386 WeakPolarHBondContact O-CG2 3.47Å; S383-V386 PolarHBondContact O-N 3.4Å; V386-E388 PolarHBondContact O-N 3.26Å
387	Q	35.1	Very low	49.4	Very low	170 Å²	170	122 Å²	122	79%	0.794	63%	0.627	S	S	*	*	S	Bend	trans	-86.4	-0.7	-173.9	-146.7	149.9	-3.9	0	0	114.7
388	E	38.1	Very low	49.6	Very low	178 Å²	178	122.5 Å²	122.5	83%	0.832	63%	0.626	S	S	*	*	S	Bend	trans	-105.1	102.9	165.9	-75.4	-176.3	165.9	0	0	109.1	V386	V386-E388 PolarHBondContact O-N 3.26Å
389	V	33.9	Very low	50	Low	126 Å²	126	120.2 Å²	120.2	76%	0.764	62%	0.616	S	S	*	*			trans	152.7	84.5	149.3	173.4	0	0	0	0	107.3	V391	V389-V391 HydrophobicContact CG1-CG2 3.55Å
390	H	28.5	Very low	50.9	Low	168 Å²	168	123.9 Å²	123.9	78%	0.778	63%	0.628	S	S	*	*			trans	-91.2	113.9	155.4	-162.4	63.5	0	0	0	106.4
391	V	34	Very low	52.1	Low	114 Å²	114	122.5 Å²	122.5	69%	0.691	62%	0.617	S	S	*	*			trans	-88.8	102.4	174.8	-179.3	0	0	0	0	106.9	V389	V389-V391 HydrophobicContact CG1-CG2 3.55Å
392	E	32	Very low	53.4	Low	165 Å²	165	116.1 Å²	116.1	77%	0.771	59%	0.591	S	S	*	*			trans	-75.5	130.2	164.2	-70.7	-177.2	158.8	0	0	108.9
393	E	34.5	Very low	54.8	Low	178 Å²	178	110.6 Å²	110.6	83%	0.832	57%	0.567	S	S	*	*			trans	-75.2	136.9	177.5	-68.9	-178	153	0	0	111.2
394	P	44.2	Very low	56.3	Low	107 Å²	107	111.1 Å²	111.1	70%	0.695	56%	0.561	S	S	*	*			trans	-93.2	106.1	-177.8	33.2	-30.6	0	0	0	113
395	E	48.2	Very low	57.9	Low	174 Å²	174	109.4 Å²	109.4	81%	0.813	55%	0.552	S	S	*	*			trans	-99	47.2	166.1	-70	-158	162.6	0	0	113
396	E	56.1	Low	59.4	Low	144 Å²	144	107.7 Å²	107.7	67%	0.673	54%	0.543	S	S	*	.			trans	-92.4	1.3	-160.5	-105.9	-175.8	169.2	0	0	118.8	G426	E396-G426 WeakPolarHBondContact O-CA 3.48Å; E396-G426 PolarHBondContact O-N 3.1Å
397	Y	60.3	Low	61.3	Low	213 Å²	213	105.1 Å²	105.1	84%	0.835	53%	0.534	S	S	*	.	S	Bend	trans	-97.5	-0.7	-164.6	-63.8	-70.6	0	0	0	118.3
398	V	70.6	Confident	63.8	Low	48 Å²	48	98.2 Å²	98.2	29%	0.291	50%	0.501	S	S	.	.			trans	-126.8	129.4	-177.7	-177.5	0	0	0	0	112.3	G425 G426 I511	V398-G425 CarbonylContact O-C 3.6Å; V398-G426 PolarHBondContact O-N 2.98Å; V398-I511 HydrophobicContact CG1-CD1 4.26Å; V398-I511 HydrophobicContact CG1-CG1 3.97Å
399	S	75.6	Confident	66.1	Low	4 Å²	4	96.9 Å²	96.9	3%	0.028	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.7	172.4	-69.7	0	0	0	0	112	R423 G425 G426 A510 I511	S399-R423 PolarHBondContact OG-NH2 3.29Å; S399-G425 WeakPolarHBondContact CA-O 3.31Å; S399-G425 WeakPolarHBondContact CB-O 3.48Å; S399-G425 PolarHBondContact OG-O 2.93Å; S399-G426 WeakPolarHBondContact OG-CA 3.43Å; S399-A510 CarbonylContact O-C 3.51Å; S399-A510 VanDerWaalsContact O-CA 3.24Å; S399-A510 WeakPolarHBondContact O-CA 3.37Å; S399-I511 PolarHBondContact O-N 3.1Å
400	R	84.6	Confident	68.6	Low	132 Å²	132	91.7 Å²	91.7	50%	0.498	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.8	176.1	-58.9	-173.5	-178.6	-172	5	110	R423 K424 I511	R400-R423 CarbonylContact O-C 3.57Å; R400-R423 WeakPolarHBondContact O-CA 3.23Å; R400-K424 PolarHBondContact N-O 3.4Å; R400-K424 PolarHBondContact O-N 3.34Å; R400-I511 WeakPolarHBondContact CA-O 3.32Å; R400-I511 HydrophobicContact CG-CD1 4.21Å; R400-I511 HydrophobicContact CG-CG1 3.96Å
401	I	87.5	Confident	71.2	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.3	174.9	-58.3	-177.2	0	0	0	109.7	V421 T422 R423 I432 V434 F458 L490 I511 G513	I401-V421 HydrophobicContact CG2-CG1 3.44Å; I401-V421 VanDerWaalsContact CG2-CG1 3.44Å; I401-T422 WeakPolarHBondContact CA-O 3.47Å; I401-R423 HydrophobicContact CG1-CB 4.42Å; I401-R423 HydrophobicContact CG1-CG 4.38Å; I401-I432 HydrophobicContact CD1-CB 4Å; I401-I432 HydrophobicContact CD1-CD1 4.1Å; I401-I432 HydrophobicContact CD1-CG2 3.4Å; I401-I432 VanDerWaalsContact CD1-CG2 3.4Å; I401-V434 HydrophobicContact CB-CG2 4.4Å; I401-V434 HydrophobicContact CD1-CG2 3.58Å; I401-V434 HydrophobicContact CG2-CG2 4.03Å; I401-F458 HydrophobicContact CD1-CD2 3.99Å; I401-F458 HydrophobicContact CD1-CE2 4.05Å; I401-F458 HydrophobicContact CG2-CE2 4.07Å; I401-F458 HydrophobicContact CG2-CZ 4.43Å; I401-L490 HydrophobicContact CD1-CD1 3.7Å; I401-L490 HydrophobicContact CG1-CD1 4.42Å; I401-I511 PolarHBondContact N-O 3.07Å; I401-I511 VanDerWaalsContact N-O 3.17Å; I401-G513 PolarHBondContact O-N 3.46Å
402	A	90.4	Very high	73.5	Confident	12 Å²	12	82.4 Å²	82.4	10%	0.099	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	167	-178.3	0	0	0	0	0	111.2	T422	A402-T422 PolarHBondContact N-O 3.09Å; A402-T422 VanDerWaalsContact N-O 3.13Å; A402-T422 PolarHBondContact O-N 2.92Å
403	F	91	Very high	75.8	Confident	4 Å²	4	78.1 Å²	78.1	2%	0.018	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	144	165.2	-73.2	-73.1	0	0	0	110.9	P405 L419 V421 I467 V485 L487 P515 A518	F403-P405 CarbonylContact C-O 3.57Å; F403-P405 WeakPolarHBondContact CB-O 3.47Å; F403-L419 HydrophobicContact CE1-CB 4.19Å; F403-L419 HydrophobicContact CE1-CD2 4.02Å; F403-V421 HydrophobicContact CD1-CG2 3.88Å; F403-V421 HydrophobicContact CE1-CG2 3.69Å; F403-I467 HydrophobicContact CE1-CD1 4.16Å; F403-V485 WeakPolarHBondContact CE2-O 3.47Å; F403-V485 HydrophobicContact CZ-CB 4.07Å; F403-V485 HydrophobicContact CZ-CG1 3.81Å; F403-L487 HydrophobicContact CD2-CD1 3.84Å; F403-L487 HydrophobicContact CD2-CG 3.97Å; F403-L487 HydrophobicContact CE1-CD2 4.31Å; F403-L487 HydrophobicContact CE1-CG 4.47Å; F403-L487 HydrophobicContact CE2-CD1 3.83Å; F403-L487 HydrophobicContact CE2-CD2 4.01Å; F403-L487 HydrophobicContact CE2-CG 3.43Å; F403-L487 VanDerWaalsContact CE2-CG 3.43Å; F403-L487 HydrophobicContact CG-CD1 4.27Å; F403-L487 HydrophobicContact CZ-CD1 4.21Å; F403-L487 HydrophobicContact CZ-CD2 3.72Å; F403-L487 HydrophobicContact CZ-CG 3.7Å; F403-P515 HydrophobicContact CB-CG 4.14Å; F403-P515 PolarHBondContact N-O 3.45Å; F403-P515 VanDerWaalsContact N-O 3.15Å; F403-P515 WeakPolarHBondContact O-CD 3.44Å; F403-P515 WeakPolarHBondContact O-CG 3.44Å; F403-A518 HydrophobicContact CB-CB 4.18Å; F403-A518 HydrophobicContact CD1-CB 3.92Å; F403-A518 HydrophobicContact CD2-CB 3.6Å; F403-A518 HydrophobicContact CE1-CB 4.12Å; F403-A518 HydrophobicContact CE2-CB 3.78Å; F403-A518 HydrophobicContact CG-CB 3.66Å; F403-A518 HydrophobicContact CZ-CB 4.06Å
404	E	86.9	Confident	78	Confident	83 Å²	83	72.1 Å²	72.1	39%	0.388	38%	0.375	S	S	.	.	S	Bend	trans	-149.2	105.8	173.1	-178	167.2	-151.2	0	0	108.5	Y408 T420 T422 K424	E404-Y408 PolarHBondContact O-OH 2.88Å; E404-T420 PolarHBondContact N-O 2.74Å; E404-T420 VanDerWaalsContact N-O 3.12Å; E404-T420 PolarHBondContact O-OG1 2.89Å; E404-T422 HydrophobicContact CB-CG2 3.89Å; E404-T422 PolarHBondContact OE2-OG1 2.68Å; E404-K424 IonicContact OE1-NZ 2.69Å; E404-K424 PolarHBondContact OE1-NZ 3.44Å; E404-K424 WeakPolarHBondContact OE2-CE 3.32Å; E404-K424 IonicContact OE2-NZ 3.87Å; E404-K424 PolarHBondContact OE2-NZ 3.32Å
405	P	86.6	Confident	79.8	Confident	74 Å²	74	69.1 Å²	69.1	48%	0.481	36%	0.364	S	S	.	.	S	Bend	cis	-74.1	174.2	4.5	-20	35.2	0	0	0	117	F403 Y408	F403-P405 CarbonylContact C-O 3.57Å; F403-P405 WeakPolarHBondContact CB-O 3.47Å; P405-Y408 WeakPolarHBondContact O-CE2 3.44Å; P405-Y408 PolarHBondContact O-OH 2.77Å
406	A	81.7	Confident	81.6	Confident	51 Å²	51	63 Å²	63	42%	0.421	34%	0.343	S	S	.	.	S	Bend	trans	-82.3	-22.7	176	0	0	0	0	0	114.1	P515 A518 T519	A406-P515 HydrophobicContact CB-CB 4.05Å; A406-P515 HydrophobicContact CB-CG 3.58Å; A406-A518 WeakPolarHBondContact O-CA 3.22Å; A406-T519 PolarHBondContact O-N 3.49Å
407	A	87.4	Confident	83.2	Confident	63 Å²	63	56.5 Å²	56.5	52%	0.521	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.4	-178.3	0	0	0	0	0	108.3	T519	A407-T519 CarbonylContact C-O 3.57Å; A407-T519 VanDerWaalsContact CA-O 3.3Å; A407-T519 WeakPolarHBondContact CA-O 3.13Å
408	Y	87.2	Confident	84.7	Confident	25 Å²	25	51.1 Å²	51.1	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.1	177.5	-65.2	-93.7	0	0	0	108.1	E404 P405 L419 T420 A518 T519 V520 T521	E404-Y408 PolarHBondContact O-OH 2.88Å; P405-Y408 WeakPolarHBondContact O-CE2 3.44Å; P405-Y408 PolarHBondContact O-OH 2.77Å; Y408-L419 HydrophobicContact CD1-CG 4.3Å; Y408-L419 HydrophobicContact CD2-CD2 3.82Å; Y408-L419 HydrophobicContact CD2-CG 3.85Å; Y408-L419 HydrophobicContact CE1-CB 4.34Å; Y408-L419 HydrophobicContact CE1-CG 4.32Å; Y408-L419 HydrophobicContact CE2-CB 4.15Å; Y408-L419 HydrophobicContact CE2-CD2 3.85Å; Y408-L419 HydrophobicContact CE2-CG 3.87Å; Y408-L419 HydrophobicContact CG-CD2 4.49Å; Y408-L419 HydrophobicContact CG-CG 4.08Å; Y408-T420 PolarHBondContact OH-N 3.24Å; Y408-T420 PolarHBondContact OH-O 3.43Å; Y408-T420 PolarHBondContact OH-OG1 3.35Å; Y408-A518 HydrophobicContact CD2-CB 3.97Å; Y408-A518 HydrophobicContact CE2-CB 3.8Å; Y408-T519 PolarHBondContact N-O 3.12Å; Y408-V520 CarbonylContact O-C 3.57Å; Y408-V520 WeakPolarHBondContact O-CA 3.24Å; Y408-T521 PolarHBondContact O-N 2.92Å
409	Q	86.8	Confident	85.7	Confident	149 Å²	149	48.8 Å²	48.8	70%	0.696	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	131	173.5	-68.9	177.8	-18.6	0	0	107.2	T521 L523	Q409-T521 WeakPolarHBondContact CA-O 3.33Å; Q409-L523 HydrophobicContact CB-CD1 4.16Å
410	C	86.3	Confident	86.4	Confident	17 Å²	17	50.1 Å²	50.1	12%	0.115	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.5	176.2	55.6	0	0	0	0	109.5	A417 T521 I522 L523	C410-A417 HydrophobicContact CB-CB 4.33Å; C410-T521 PolarHBondContact N-O 3.4Å; C410-I522 WeakPolarHBondContact O-CA 3.43Å; C410-L523 PolarHBondContact O-N 3.36Å
411	L	82.3	Confident	86.7	Confident	76 Å²	76	43.8 Å²	43.8	40%	0.398	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	150.6	170.9	-62	171.3	0	0	0	109.1	N413 C414 L523 D525	L411-N413 WeakPolarHBondContact CB-OD1 3.45Å; L411-N413 PolarHBondContact O-N 3.32Å; L411-C414 VanDerWaalsContact O-CB 3.22Å; L411-C414 WeakPolarHBondContact O-CB 3.39Å; L411-C414 PolarHBondContact O-N 2.98Å; L411-C414 PolarHBondContact O-SG 3.09Å; L411-L523 WeakPolarHBondContact CA-O 3.35Å; L411-L523 HydrophobicContact CD2-CB 4.29Å; L411-D525 HydrophobicContact CD2-CB 4.04Å
412	E	82.3	Confident	86.8	Confident	11 Å²	11	44.5 Å²	44.5	5%	0.051	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-53.3	-42.4	176.2	-149.3	-169.4	151.8	0	0	112	C414 I471 I472 D474 I522 L523	E412-C414 PolarHBondContact O-N 3.2Å; E412-I471 WeakPolarHBondContact O-CG2 3.38Å; E412-I472 VanDerWaalsContact CG-O 3.27Å; E412-I472 WeakPolarHBondContact CG-O 3.49Å; E412-D474 PolarHBondContact OE1-N 3.44Å; E412-I522 HydrophobicContact CB-CG2 4.34Å; E412-I522 HydrophobicContact CG-CG2 4.2Å; E412-L523 PolarHBondContact N-O 3.35Å
413	N	81.4	Confident	86.6	Confident	76 Å²	76	44.7 Å²	44.7	41%	0.406	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-70.4	0.2	178.6	75.9	13	0	0	0	116.6	L411 G415 D473 D525	L411-N413 WeakPolarHBondContact CB-OD1 3.45Å; L411-N413 PolarHBondContact O-N 3.32Å; N413-G415 PolarHBondContact O-N 2.85Å; N413-D473 VanDerWaalsContact CA-OD1 3.27Å; N413-D473 WeakPolarHBondContact CA-OD1 3.46Å; N413-D473 PolarHBondContact N-OD1 3.05Å; N413-D525 VanDerWaalsContact CG-OD2 3.29Å; N413-D525 PolarHBondContact ND2-OD2 3.07Å
414	C	80.3	Confident	86.2	Confident	52 Å²	52	50 Å²	50	35%	0.351	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-74.3	-14.8	-171.9	74.6	0	0	0	0	113.5	L411 E412 A416	L411-C414 VanDerWaalsContact O-CB 3.22Å; L411-C414 WeakPolarHBondContact O-CB 3.39Å; L411-C414 PolarHBondContact O-N 2.98Å; L411-C414 PolarHBondContact O-SG 3.09Å; E412-C414 PolarHBondContact O-N 3.2Å; C414-A416 PolarHBondContact O-N 3.26Å
415	G	82.6	Confident	85.6	Confident	44 Å²	44	48 Å²	48	45%	0.454	30%	0.295	S	S	.	.	S	Bend	trans	70.9	-39.4	-179.7	0	0	0	0	0	114.9	N413 G470 I471	N413-G415 PolarHBondContact O-N 2.85Å; G415-G470 WeakPolarHBondContact O-CA 3.48Å; G415-I471 PolarHBondContact O-N 3.06Å
416	A	86.7	Confident	85	Confident	45 Å²	45	45.6 Å²	45.6	37%	0.372	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	132.2	172.1	0	0	0	0	0	113.3	C414 I469	C414-A416 PolarHBondContact O-N 3.26Å; A416-I469 CarbonylContact C-O 3.52Å; A416-I469 WeakPolarHBondContact CA-O 3.44Å; A416-I469 WeakPolarHBondContact CB-O 3.46Å
417	A	88.9	Confident	84.5	Confident	7 Å²	7	46.8 Å²	46.8	6%	0.058	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.4	170.9	0	0	0	0	0	110.9	C410 L419 S468 I469 I471 V520	C410-A417 HydrophobicContact CB-CB 4.33Å; A417-L419 HydrophobicContact CB-CD1 4.26Å; A417-S468 WeakPolarHBondContact O-CA 3.39Å; A417-I469 PolarHBondContact N-O 3.35Å; A417-I469 PolarHBondContact O-N 2.98Å; A417-I471 HydrophobicContact CB-CD1 4.08Å; A417-I471 HydrophobicContact CB-CG1 4.1Å; A417-V520 HydrophobicContact CB-CG1 4.25Å
418	I	90.9	Very high	83.9	Confident	100 Å²	100	47 Å²	47	51%	0.513	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.2	179.2	-56	173.9	0	0	0	109.5	E466 I467	I418-E466 HydrophobicContact CG2-CB 3.95Å; I418-E466 HydrophobicContact CG2-CG 4.01Å; I418-I467 CarbonylContact C-O 3.55Å; I418-I467 WeakPolarHBondContact CA-O 3.29Å
419	L	91.8	Very high	83.2	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.4	177.8	-67.4	83.3	0	0	0	111	F403 Y408 A417 E466 I467 I469 V485 A518 V520	F403-L419 HydrophobicContact CE1-CB 4.19Å; F403-L419 HydrophobicContact CE1-CD2 4.02Å; Y408-L419 HydrophobicContact CD1-CG 4.3Å; Y408-L419 HydrophobicContact CD2-CD2 3.82Å; Y408-L419 HydrophobicContact CD2-CG 3.85Å; Y408-L419 HydrophobicContact CE1-CB 4.34Å; Y408-L419 HydrophobicContact CE1-CG 4.32Å; Y408-L419 HydrophobicContact CE2-CB 4.15Å; Y408-L419 HydrophobicContact CE2-CD2 3.85Å; Y408-L419 HydrophobicContact CE2-CG 3.87Å; Y408-L419 HydrophobicContact CG-CD2 4.49Å; Y408-L419 HydrophobicContact CG-CG 4.08Å; A417-L419 HydrophobicContact CB-CD1 4.26Å; L419-E466 CarbonylContact O-C 3.56Å; L419-E466 VanDerWaalsContact O-CA 3.27Å; L419-E466 WeakPolarHBondContact O-CA 3.27Å; L419-I467 HydrophobicContact CB-CB 4.35Å; L419-I467 PolarHBondContact N-O 3.41Å; L419-I467 PolarHBondContact O-N 3.38Å; L419-I469 HydrophobicContact CD1-CD1 3.63Å; L419-I469 HydrophobicContact CD1-CG1 4.15Å; L419-V485 HydrophobicContact CD2-CB 3.9Å; L419-V485 HydrophobicContact CD2-CG1 4.33Å; L419-V485 HydrophobicContact CD2-CG2 3.6Å; L419-A518 HydrophobicContact CD2-CB 3.72Å; L419-V520 HydrophobicContact CD1-CG2 4.17Å; L419-V520 HydrophobicContact CD2-CG2 3.87Å; L419-V520 HydrophobicContact CG-CG2 4.34Å
420	T	91.3	Very high	82.6	Confident	31 Å²	31	46.4 Å²	46.4	19%	0.19	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.8	-175.5	37.9	0	0	0	0	111.3	E404 Y408 E466	E404-T420 PolarHBondContact N-O 2.74Å; E404-T420 VanDerWaalsContact N-O 3.12Å; E404-T420 PolarHBondContact O-OG1 2.89Å; Y408-T420 PolarHBondContact OH-N 3.24Å; Y408-T420 PolarHBondContact OH-O 3.43Å; Y408-T420 PolarHBondContact OH-OG1 3.35Å; T420-E466 HydrophobicContact CG2-CG 3.95Å
421	V	90.9	Very high	82.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123	174.6	-174	0	0	0	0	108.6	I401 F403 F458 K465 I467 L487	I401-V421 HydrophobicContact CG2-CG1 3.44Å; I401-V421 VanDerWaalsContact CG2-CG1 3.44Å; F403-V421 HydrophobicContact CD1-CG2 3.88Å; F403-V421 HydrophobicContact CE1-CG2 3.69Å; V421-F458 HydrophobicContact CB-CZ 4.2Å; V421-F458 HydrophobicContact CG1-CE2 4.15Å; V421-F458 HydrophobicContact CG1-CZ 3.87Å; V421-K465 PolarHBondContact N-O 3.05Å; V421-K465 PolarHBondContact O-N 3.36Å; V421-I467 HydrophobicContact CG2-CD1 3.57Å; V421-I467 HydrophobicContact CG2-CG1 4.34Å; V421-L487 HydrophobicContact CG1-CD1 3.94Å; V421-L487 HydrophobicContact CG1-CD2 4.48Å; V421-L487 HydrophobicContact CG2-CD1 4.45Å; V421-L487 HydrophobicContact CG2-CD2 4.07Å
422	T	89.1	Confident	82.5	Confident	15 Å²	15	43.3 Å²	43.3	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.2	-176.4	68.2	0	0	0	0	111.8	I401 A402 E404 I463 I464	I401-T422 WeakPolarHBondContact CA-O 3.47Å; A402-T422 PolarHBondContact N-O 3.09Å; A402-T422 VanDerWaalsContact N-O 3.13Å; A402-T422 PolarHBondContact O-N 2.92Å; E404-T422 HydrophobicContact CB-CG2 3.89Å; E404-T422 PolarHBondContact OE2-OG1 2.68Å; T422-I463 WeakPolarHBondContact CA-O 3.3Å; T422-I464 HydrophobicContact CG2-CG1 4.16Å
423	R	86.1	Confident	82.8	Confident	16 Å²	16	45.9 Å²	45.9	6%	0.06	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.4	174.8	178.2	-170.7	175.2	170.2	8.3	108.9	S399 R400 I401 D427 K430 F458 I463	S399-R423 PolarHBondContact OG-NH2 3.29Å; R400-R423 CarbonylContact O-C 3.57Å; R400-R423 WeakPolarHBondContact O-CA 3.23Å; I401-R423 HydrophobicContact CG1-CB 4.42Å; I401-R423 HydrophobicContact CG1-CG 4.38Å; R423-D427 VanDerWaalsContact NH2-C 3.31Å; R423-D427 PolarHBondContact NH2-O 3.47Å; R423-K430 PolarHBondContact NH1-O 3.17Å; R423-F458 HydrophobicContact CB-CD1 4.23Å; R423-F458 HydrophobicContact CB-CE1 4.14Å; R423-I463 PolarHBondContact N-O 3.46Å
424	K	82.2	Confident	83.2	Confident	114 Å²	114	42.2 Å²	42.2	50%	0.496	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.1	178.2	-66.6	-175.3	178.2	176.2	0	111.2	R400 E404	R400-K424 PolarHBondContact N-O 3.4Å; R400-K424 PolarHBondContact O-N 3.34Å; E404-K424 IonicContact OE1-NZ 2.69Å; E404-K424 PolarHBondContact OE1-NZ 3.44Å; E404-K424 WeakPolarHBondContact OE2-CE 3.32Å; E404-K424 IonicContact OE2-NZ 3.87Å; E404-K424 PolarHBondContact OE2-NZ 3.32Å
425	G	75.4	Confident	83.8	Confident	41 Å²	41	41.6 Å²	41.6	42%	0.423	24%	0.243	S	C	.	.	S	Bend	trans	77.3	171	175.2	0	0	0	0	0	116.2	V398 S399	V398-G425 CarbonylContact O-C 3.6Å; S399-G425 WeakPolarHBondContact CA-O 3.31Å; S399-G425 WeakPolarHBondContact CB-O 3.48Å; S399-G425 PolarHBondContact OG-O 2.93Å
426	G	73.8	Confident	84.3	Confident	24 Å²	24	41.1 Å²	41.1	25%	0.247	23%	0.228	C	C	.	.	S	Bend	trans	70.5	-175.8	178.6	0	0	0	0	0	115.2	E396 V398 S399 I428	E396-G426 WeakPolarHBondContact O-CA 3.48Å; E396-G426 PolarHBondContact O-N 3.1Å; V398-G426 PolarHBondContact O-N 2.98Å; S399-G426 WeakPolarHBondContact OG-CA 3.43Å; G426-I428 PolarHBondContact O-N 3.15Å; G426-I428 VanDerWaalsContact O-N 3.17Å
427	D	70.9	Confident	84.5	Confident	77 Å²	77	43.4 Å²	43.4	41%	0.412	23%	0.229	S	C	.	.			trans	-75.6	102.5	-171.3	179.9	10.6	0	0	0	113.1	R423 N429 K430	R423-D427 VanDerWaalsContact NH2-C 3.31Å; R423-D427 PolarHBondContact NH2-O 3.47Å; D427-N429 PolarHBondContact O-N 3.13Å; D427-N429 WeakPolarHBondContact OD1-CB 3.49Å; D427-N429 PolarHBondContact OD1-N 3.43Å; D427-N429 VanDerWaalsContact OD1-N 3.12Å; D427-N429 PolarHBondContact OD1-ND2 3.01Å; D427-K430 PolarHBondContact O-N 3.47Å
428	I	74.1	Confident	84.7	Confident	67 Å²	67	43.1 Å²	43.1	34%	0.344	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.2	-177.9	-154.7	169.2	0	0	0	114.3	G426 K430 P460 G461 I463	G426-I428 PolarHBondContact O-N 3.15Å; G426-I428 VanDerWaalsContact O-N 3.17Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 3.14Å; I428-P460 WeakPolarHBondContact O-CA 2.87Å; I428-G461 PolarHBondContact O-N 3.38Å; I428-G461 VanDerWaalsContact O-N 3.07Å; I428-I463 HydrophobicContact CD1-CG2 3.57Å; I428-I463 HydrophobicContact CG1-CG2 4.39Å
429	N	73.2	Confident	84.7	Confident	110 Å²	110	41.5 Å²	41.5	59%	0.588	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.3	-178.5	-60.3	-53.4	0	0	0	114	D427 P460	D427-N429 PolarHBondContact O-N 3.13Å; D427-N429 WeakPolarHBondContact OD1-CB 3.49Å; D427-N429 PolarHBondContact OD1-N 3.43Å; D427-N429 VanDerWaalsContact OD1-N 3.12Å; D427-N429 PolarHBondContact OD1-ND2 3.01Å; N429-P460 WeakPolarHBondContact O-CG 3.22Å
430	K	74.5	Confident	84.6	Confident	51 Å²	51	45.8 Å²	45.8	22%	0.222	24%	0.24	C	C	.	.	S	Bend	trans	-95.4	140.3	179.5	-61.6	-167.2	178.5	-169.3	0	112.2	R423 D427 I428 V492 E498	R423-K430 PolarHBondContact NH1-O 3.17Å; D427-K430 PolarHBondContact O-N 3.47Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 3.14Å; K430-V492 HydrophobicContact CB-CG1 4.42Å; K430-E498 IonicContact NZ-OE2 3.63Å; K430-E498 PolarHBondContact NZ-OE2 2.84Å
431	T	81.8	Confident	84.3	Confident	25 Å²	25	45.9 Å²	45.9	15%	0.153	25%	0.247	C	C	.	.			trans	-81.2	129.3	175.4	-52.6	0	0	0	0	110.4	Y433 V457 F458 L493	T431-Y433 HydrophobicContact CG2-CE2 4.15Å; T431-V457 HydrophobicContact CG2-CG1 3.94Å; T431-F458 VanDerWaalsContact CA-O 3.24Å; T431-F458 WeakPolarHBondContact CA-O 3.34Å; T431-F458 WeakPolarHBondContact CG2-O 3.28Å; T431-L493 PolarHBondContact O-N 2.97Å; T431-L493 VanDerWaalsContact O-N 3.13Å
432	I	85.3	Confident	84	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.7	-179.9	-52.5	177.3	0	0	0	110.1	I401 V434 F458 L490 R491 V492 A510	I401-I432 HydrophobicContact CD1-CB 4Å; I401-I432 HydrophobicContact CD1-CD1 4.1Å; I401-I432 HydrophobicContact CD1-CG2 3.4Å; I401-I432 VanDerWaalsContact CD1-CG2 3.4Å; I432-V434 HydrophobicContact CG2-CG2 4.36Å; I432-F458 HydrophobicContact CB-CB 4.47Å; I432-F458 PolarHBondContact N-O 3.13Å; I432-F458 VanDerWaalsContact N-O 3.09Å; I432-F458 PolarHBondContact O-N 3.39Å; I432-L490 HydrophobicContact CG2-CD1 3.35Å; I432-L490 HydrophobicContact CG2-CG 4.38Å; I432-R491 WeakPolarHBondContact CA-O 3.13Å; I432-V492 HydrophobicContact CG1-CG2 4.36Å; I432-A510 HydrophobicContact CD1-CB 4.22Å
433	Y	87.8	Confident	83.9	Confident	65 Å²	65	47.5 Å²	47.5	26%	0.255	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.9	175.5	-53.6	-92.6	0	0	0	109.8	T431 M455 V456 V457 L490 R491 L493	T431-Y433 HydrophobicContact CG2-CE2 4.15Å; Y433-M455 HydrophobicContact CD1-SD 3.62Å; Y433-M455 HydrophobicContact CE1-SD 4.48Å; Y433-M455 HydrophobicContact CG-SD 4.32Å; Y433-V456 WeakPolarHBondContact CA-O 3.42Å; Y433-V457 HydrophobicContact CD1-CB 4.32Å; Y433-V457 HydrophobicContact CD1-CG1 3.95Å; Y433-V457 HydrophobicContact CD1-CG2 3.71Å; Y433-V457 HydrophobicContact CE1-CB 4.42Å; Y433-V457 HydrophobicContact CE1-CG1 3.67Å; Y433-V457 HydrophobicContact CE1-CG2 3.92Å; Y433-L490 CarbonylContact O-C 3.52Å; Y433-L490 WeakPolarHBondContact O-CA 3.38Å; Y433-R491 HydrophobicContact CD2-CB 4.41Å; Y433-R491 PolarHBondContact N-O 3.03Å; Y433-R491 PolarHBondContact O-N 3.05Å; Y433-L493 HydrophobicContact CE2-CB 4.22Å
434	V	90.4	Very high	83.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.5	174.7	-178.4	0	0	0	0	109	I401 I432 M455 V456 L487 L490 L512	I401-V434 HydrophobicContact CB-CG2 4.4Å; I401-V434 HydrophobicContact CD1-CG2 3.58Å; I401-V434 HydrophobicContact CG2-CG2 4.03Å; I432-V434 HydrophobicContact CG2-CG2 4.36Å; V434-M455 CarbonylContact O-C 3.59Å; V434-V456 PolarHBondContact N-O 2.86Å; V434-V456 PolarHBondContact O-N 3.09Å; V434-L487 HydrophobicContact CG1-CB 3.91Å; V434-L487 HydrophobicContact CG1-CD2 3.85Å; V434-L487 HydrophobicContact CG1-CG 4.29Å; V434-L490 HydrophobicContact CG2-CD1 3.4Å; V434-L512 HydrophobicContact CG1-CD2 4.27Å
435	D	91.4	Very high	84	Confident	38 Å²	38	47.4 Å²	47.4	20%	0.203	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	146.9	177.4	-57.9	-12.3	0	0	0	109.2	G454 M455 L487 N488 N489 R491	D435-G454 CarbonylContact C-O 3.48Å; D435-G454 WeakPolarHBondContact CA-O 3.46Å; D435-M455 WeakPolarHBondContact OD1-CG 3.4Å; D435-L487 CarbonylContact O-C 3.53Å; D435-L487 WeakPolarHBondContact O-CA 3.38Å; D435-N488 PolarHBondContact N-O 3.04Å; D435-N488 PolarHBondContact O-N 3.38Å; D435-N489 HydrophobicContact CB-CB 4.2Å; D435-N489 WeakPolarHBondContact OD2-CB 3.41Å; D435-N489 PolarHBondContact OD2-ND2 3.25Å; D435-R491 IonicContact OD1-NH2 3.1Å; D435-R491 PolarHBondContact OD1-NH2 3.25Å; D435-R491 IonicContact OD2-NH2 2.74Å; D435-R491 PolarHBondContact OD2-NH2 2.88Å; D435-R491 VanDerWaalsContact OD2-NH2 3.1Å
436	Y	93.2	Very high	84.2	Confident	35 Å²	35	48.5 Å²	48.5	14%	0.137	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.7	175.7	73.6	-87.1	0	0	0	111.8	T452 E453 G454 V456 I467 V485 R486	Y436-T452 HydrophobicContact CE2-CG2 3.89Å; Y436-E453 WeakPolarHBondContact O-CA 3.36Å; Y436-G454 WeakPolarHBondContact CD1-O 3.44Å; Y436-G454 VanDerWaalsContact CE1-C 3.44Å; Y436-G454 PolarHBondContact N-O 3.35Å; Y436-G454 PolarHBondContact O-N 3.47Å; Y436-V456 HydrophobicContact CD1-CG2 3.79Å; Y436-V456 HydrophobicContact CE1-CG2 4.09Å; Y436-I467 HydrophobicContact CD1-CD1 3.78Å; Y436-I467 HydrophobicContact CD1-CG1 4.13Å; Y436-I467 HydrophobicContact CD2-CD1 4Å; Y436-I467 HydrophobicContact CD2-CG2 3.79Å; Y436-I467 HydrophobicContact CE1-CD1 4.2Å; Y436-I467 HydrophobicContact CE1-CG1 4.03Å; Y436-I467 HydrophobicContact CE1-CG2 4.26Å; Y436-I467 HydrophobicContact CE2-CB 4.5Å; Y436-I467 HydrophobicContact CE2-CD1 4.43Å; Y436-I467 HydrophobicContact CE2-CG1 4.46Å; Y436-I467 HydrophobicContact CE2-CG2 3.31Å; Y436-I467 HydrophobicContact CG-CD1 3.65Å; Y436-I467 HydrophobicContact CG-CG1 4.35Å; Y436-I467 HydrophobicContact CG-CG2 4.44Å; Y436-V485 HydrophobicContact CD2-CG1 4.34Å; Y436-R486 VanDerWaalsContact CA-O 3.26Å; Y436-R486 WeakPolarHBondContact CA-O 3.21Å
437	K	92.6	Very high	84.5	Confident	92 Å²	92	50 Å²	50	40%	0.4	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.4	179.6	177.3	172.7	176.5	173.5	0	111.5	F451 E453 R486	K437-F451 HydrophobicContact CG-CE2 4.49Å; K437-F451 HydrophobicContact CG-CZ 4.46Å; K437-E453 HydrophobicContact CB-CB 4.45Å; K437-E453 HydrophobicContact CG-CB 4.44Å; K437-R486 PolarHBondContact N-O 3.47Å; K437-R486 PolarHBondContact O-N 3.47Å
438	T	93.2	Very high	85.1	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	142.4	170.6	59.3	0	0	0	0	112.3	Y449 F451 T452 I469 F483 F484 V485	T438-Y449 HydrophobicContact CG2-CE2 4.21Å; T438-F451 WeakPolarHBondContact OG1-CD2 3.27Å; T438-T452 PolarHBondContact N-O 3.17Å; T438-T452 VanDerWaalsContact N-O 3.09Å; T438-T452 PolarHBondContact OG1-N 3.1Å; T438-T452 VanDerWaalsContact OG1-N 3.13Å; T438-T452 PolarHBondContact OG1-O 2.85Å; T438-I469 HydrophobicContact CG2-CD1 3.7Å; T438-I469 HydrophobicContact CG2-CG1 4.35Å; T438-I469 HydrophobicContact CG2-CG2 4.38Å; T438-F483 HydrophobicContact CG2-CE2 4.4Å; T438-F484 CarbonylContact C-O 3.56Å; T438-F484 WeakPolarHBondContact CA-O 3.38Å; T438-V485 HydrophobicContact CG2-CG2 4.29Å
439	E	90.1	Very high	85.9	Confident	66 Å²	66	44 Å²	44	31%	0.308	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.3	177.2	-70.2	175.9	179.4	0	0	108.6	F484 R486	E439-F484 HydrophobicContact CB-CB 4.23Å; E439-F484 PolarHBondContact N-O 3.41Å; E439-F484 PolarHBondContact O-N 3.26Å; E439-R486 IonicContact OE1-CZ 3.8Å; E439-R486 IonicContact OE1-NE 2.89Å; E439-R486 PolarHBondContact OE1-NE 3.45Å; E439-R486 IonicContact OE1-NH2 3.83Å; E439-R486 IonicContact OE2-CZ 3.48Å; E439-R486 IonicContact OE2-NE 3.21Å; E439-R486 PolarHBondContact OE2-NE 3.27Å; E439-R486 IonicContact OE2-NH2 2.85Å; E439-R486 PolarHBondContact OE2-NH2 3.2Å
440	D	89.3	Confident	86.7	Confident	90 Å²	90	44.5 Å²	44.5	48%	0.481	26%	0.259	S	S	.	.			trans	-63.5	144.4	179.6	-57.6	-44.6	0	0	0	111.7	A445 Y449	D440-A445 WeakPolarHBondContact OD1-CB 3.41Å; D440-A445 PolarHBondContact OD1-N 2.83Å; D440-Y449 PolarHBondContact N-OH 2.64Å; D440-Y449 PolarHBondContact OD1-OH 3.07Å
441	G	86.1	Confident	87.4	Confident	33 Å²	33	47.1 Å²	47.1	34%	0.34	27%	0.271	S	S	.	.	S	Bend	trans	-118.8	-113.2	174	0	0	0	0	0	110.5	A443 H482	G441-A443 PolarHBondContact N-O 3.42Å; G441-H482 CarbonylContact C-O 3.52Å; G441-H482 WeakPolarHBondContact CA-O 3.49Å; G441-H482 PolarHBondContact N-O 3.28Å
442	S	84.2	Confident	87.7	Confident	48 Å²	48	47.3 Å²	47.3	34%	0.336	27%	0.272	S	S	.	.	S	Bend	trans	-82.5	-32.4	162	61.1	0	0	0	0	111.7	E481 H482	S442-E481 VanDerWaalsContact OG-CA 3.26Å; S442-E481 WeakPolarHBondContact OG-CA 3.37Å; S442-H482 PolarHBondContact N-O 3.41Å; S442-H482 PolarHBondContact OG-N 3.2Å; S442-H482 PolarHBondContact OG-ND1 3.36Å; S442-H482 VanDerWaalsContact OG-ND1 3.1Å
443	A	85.4	Confident	88	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-76.3	135	170	0	0	0	0	0	110.8	G441 D448 Y449 E481 H482 F483 I522	G441-A443 PolarHBondContact N-O 3.42Å; A443-D448 WeakPolarHBondContact CA-OD2 3.21Å; A443-D448 HydrophobicContact CB-CB 4.02Å; A443-Y449 HydrophobicContact CB-CD1 4.14Å; A443-Y449 HydrophobicContact CB-CE1 4.39Å; A443-E481 VanDerWaalsContact CA-OE2 3.24Å; A443-E481 WeakPolarHBondContact CA-OE2 3.26Å; A443-E481 HydrophobicContact CB-CB 3.82Å; A443-H482 PolarHBondContact N-O 2.78Å; A443-F483 HydrophobicContact CB-CB 4.31Å; A443-F483 HydrophobicContact CB-CD1 4.43Å; A443-I522 HydrophobicContact CB-CD1 4.06Å
444	N	84.8	Confident	88.1	Confident	88 Å²	88	51.6 Å²	51.6	47%	0.471	30%	0.302	S	S	.	.			trans	-106	132.9	-177.7	-60.9	-62.6	0	0	0	111.9	G446 A447 D448	N444-G446 PolarHBondContact O-N 3Å; N444-A447 HydrophobicContact CB-CB 4.46Å; N444-A447 PolarHBondContact O-N 3.35Å; N444-D448 PolarHBondContact N-OD2 3.11Å; N444-D448 PolarHBondContact O-N 2.97Å; N444-D448 VanDerWaalsContact O-N 3.13Å
445	A	86.1	Confident	88	Confident	40 Å²	40	56.1 Å²	56.1	33%	0.331	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-60.8	121.5	173.5	0	0	0	0	0	112.2	D440 Y449 F451	D440-A445 WeakPolarHBondContact OD1-CB 3.41Å; D440-A445 PolarHBondContact OD1-N 2.83Å; A445-Y449 CarbonylContact C-O 3.58Å; A445-Y449 WeakPolarHBondContact CA-O 3.36Å; A445-Y449 HydrophobicContact CB-CE1 4.16Å; A445-Y449 HydrophobicContact CB-CE2 4.24Å; A445-F451 HydrophobicContact CB-CB 3.99Å
446	G	80.3	Confident	87.9	Confident	64 Å²	64	54.8 Å²	54.8	66%	0.66	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	-9.2	179.8	0	0	0	0	0	115.3	N444 Y449	N444-G446 PolarHBondContact O-N 3Å; G446-Y449 PolarHBondContact N-O 3.17Å
447	A	80	Confident	87.7	Confident	55 Å²	55	55.5 Å²	55.5	46%	0.455	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-53.7	164.8	0	0	0	0	0	109.5	N444 I472	N444-A447 HydrophobicContact CB-CB 4.46Å; N444-A447 PolarHBondContact O-N 3.35Å; A447-I472 WeakPolarHBondContact O-CB 3.44Å; A447-I472 WeakPolarHBondContact O-CD1 3.34Å; A447-I472 WeakPolarHBondContact O-CG2 3.42Å
448	D	83.3	Confident	87.5	Confident	20 Å²	20	51.1 Å²	51.1	11%	0.107	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-26.5	-166.8	-33.7	-54.9	0	0	0	112	A443 N444 I472 E481 I522	A443-D448 WeakPolarHBondContact CA-OD2 3.21Å; A443-D448 HydrophobicContact CB-CB 4.02Å; N444-D448 PolarHBondContact N-OD2 3.11Å; N444-D448 PolarHBondContact O-N 2.97Å; N444-D448 VanDerWaalsContact O-N 3.13Å; D448-I472 PolarHBondContact O-N 3.05Å; D448-E481 VanDerWaalsContact CG-OE2 3.27Å; D448-I522 HydrophobicContact CB-CD1 3.93Å
449	Y	90.1	Very high	87.1	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-149.8	163	176.2	78.4	-80	0	0	0	113.4	T438 D440 A443 A445 G446 I469 G470 F483	T438-Y449 HydrophobicContact CG2-CE2 4.21Å; D440-Y449 PolarHBondContact N-OH 2.64Å; D440-Y449 PolarHBondContact OD1-OH 3.07Å; A443-Y449 HydrophobicContact CB-CD1 4.14Å; A443-Y449 HydrophobicContact CB-CE1 4.39Å; A445-Y449 CarbonylContact C-O 3.58Å; A445-Y449 WeakPolarHBondContact CA-O 3.36Å; A445-Y449 HydrophobicContact CB-CE1 4.16Å; A445-Y449 HydrophobicContact CB-CE2 4.24Å; G446-Y449 PolarHBondContact N-O 3.17Å; Y449-I469 HydrophobicContact CD2-CG2 4.08Å; Y449-G470 WeakPolarHBondContact CA-O 3.41Å; Y449-F483 HydrophobicContact CD1-CB 4.07Å; Y449-F483 AromaticContact CD1-CD1 3.83Å; Y449-F483 HydrophobicContact CD1-CD1 3.83Å; Y449-F483 HydrophobicContact CD1-CE1 4.39Å; Y449-F483 AromaticContact CD1-CG 3.91Å; Y449-F483 HydrophobicContact CD1-CG 3.91Å; Y449-F483 HydrophobicContact CD2-CD1 4.36Å; Y449-F483 HydrophobicContact CD2-CD2 4.03Å; Y449-F483 HydrophobicContact CD2-CE1 4.36Å; Y449-F483 HydrophobicContact CD2-CE2 4.04Å; Y449-F483 HydrophobicContact CD2-CG 4.19Å; Y449-F483 HydrophobicContact CD2-CZ 4.2Å; Y449-F483 HydrophobicContact CE1-CB 3.57Å; Y449-F483 HydrophobicContact CE1-CD1 4.22Å; Y449-F483 HydrophobicContact CE1-CD2 4.37Å; Y449-F483 AromaticContact CE1-CG 3.82Å; Y449-F483 HydrophobicContact CE1-CG 3.82Å; Y449-F483 HydrophobicContact CE2-CB 4.46Å; Y449-F483 AromaticContact CE2-CD2 3.82Å; Y449-F483 HydrophobicContact CE2-CD2 3.82Å; Y449-F483 HydrophobicContact CE2-CE2 4.19Å; Y449-F483 HydrophobicContact CE2-CG 4.1Å; Y449-F483 AromaticContact CG-CD1 3.92Å; Y449-F483 HydrophobicContact CG-CD1 3.92Å; Y449-F483 HydrophobicContact CG-CD2 4.39Å; Y449-F483 HydrophobicContact CG-CE1 4.02Å; Y449-F483 HydrophobicContact CG-CE2 4.49Å; Y449-F483 HydrophobicContact CG-CG 4.1Å; Y449-F483 HydrophobicContact CG-CZ 4.31Å; Y449-F483 AromaticContact CZ-CG 3.91Å
450	E	90.1	Very high	86.6	Confident	119 Å²	119	57.4 Å²	57.4	56%	0.556	34%	0.34	S	S	*	.			trans	-89.4	128.5	178.1	-65.8	-170.8	162	0	0	112.8	T452 G470	E450-T452 PolarHBondContact O-N 3.35Å; E450-T452 PolarHBondContact O-OG1 2.53Å; E450-T452 VanDerWaalsContact O-OG1 3.07Å; E450-G470 PolarHBondContact N-O 3.14Å
451	F	89.5	Confident	86.1	Confident	107 Å²	107	55.4 Å²	55.4	47%	0.469	34%	0.34	S	S	.	.			trans	-61	121.6	175.7	178.2	-97.6	0	0	0	111.7	K437 T438 A445 E453	K437-F451 HydrophobicContact CG-CE2 4.49Å; K437-F451 HydrophobicContact CG-CZ 4.46Å; T438-F451 WeakPolarHBondContact OG1-CD2 3.27Å; A445-F451 HydrophobicContact CB-CB 3.99Å; F451-E453 HydrophobicContact CE1-CB 4.49Å; F451-E453 HydrophobicContact CE1-CG 4.18Å
452	T	88.8	Confident	86	Confident	29 Å²	29	56.4 Å²	56.4	18%	0.178	34%	0.336	C	S	.	.			trans	-130.7	129.1	-175.4	-51.3	0	0	0	0	111.8	Y436 T438 E450	Y436-T452 HydrophobicContact CE2-CG2 3.89Å; T438-T452 PolarHBondContact N-O 3.17Å; T438-T452 VanDerWaalsContact N-O 3.09Å; T438-T452 PolarHBondContact OG1-N 3.1Å; T438-T452 VanDerWaalsContact OG1-N 3.13Å; T438-T452 PolarHBondContact OG1-O 2.85Å; E450-T452 PolarHBondContact O-N 3.35Å; E450-T452 PolarHBondContact O-OG1 2.53Å; E450-T452 VanDerWaalsContact O-OG1 3.07Å
453	E	91.8	Very high	86.1	Confident	130 Å²	130	58.2 Å²	58.2	61%	0.607	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.9	170	66	176.3	-165.6	0	0	111.2	Y436 K437 F451	Y436-E453 WeakPolarHBondContact O-CA 3.36Å; K437-E453 HydrophobicContact CB-CB 4.45Å; K437-E453 HydrophobicContact CG-CB 4.44Å; F451-E453 HydrophobicContact CE1-CB 4.49Å; F451-E453 HydrophobicContact CE1-CG 4.18Å
454	G	89	Confident	86.2	Confident	28 Å²	28	62.7 Å²	62.7	29%	0.289	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-176.4	-175.3	0	0	0	0	0	115.4	D435 Y436	D435-G454 CarbonylContact C-O 3.48Å; D435-G454 WeakPolarHBondContact CA-O 3.46Å; Y436-G454 WeakPolarHBondContact CD1-O 3.44Å; Y436-G454 VanDerWaalsContact CE1-C 3.44Å; Y436-G454 PolarHBondContact N-O 3.35Å; Y436-G454 PolarHBondContact O-N 3.47Å
455	M	88.8	Confident	86.5	Confident	95 Å²	95	61.2 Å²	61.2	47%	0.468	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.7	179	-178	-172.2	-52.9	0	0	110.7	Y433 V434 D435 V457	Y433-M455 HydrophobicContact CD1-SD 3.62Å; Y433-M455 HydrophobicContact CE1-SD 4.48Å; Y433-M455 HydrophobicContact CG-SD 4.32Å; V434-M455 CarbonylContact O-C 3.59Å; D435-M455 WeakPolarHBondContact OD1-CG 3.4Å; M455-V457 HydrophobicContact CG-CG2 4.35Å; M455-V457 HydrophobicContact SD-CG2 4.32Å
456	V	89.3	Confident	86.7	Confident	10 Å²	10	65.9 Å²	65.9	6%	0.061	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.7	172.1	-177.7	0	0	0	0	109.4	Y433 V434 Y436 F458 K465 I467	Y433-V456 WeakPolarHBondContact CA-O 3.42Å; V434-V456 PolarHBondContact N-O 2.86Å; V434-V456 PolarHBondContact O-N 3.09Å; Y436-V456 HydrophobicContact CD1-CG2 3.79Å; Y436-V456 HydrophobicContact CE1-CG2 4.09Å; V456-F458 HydrophobicContact CG1-CD2 4.12Å; V456-F458 HydrophobicContact CG1-CE2 3.63Å; V456-F458 HydrophobicContact CG1-CZ 4.08Å; V456-K465 HydrophobicContact CG1-CB 3.43Å; V456-K465 VanDerWaalsContact CG1-CB 3.43Å; V456-K465 HydrophobicContact CG1-CG 3.59Å; V456-I467 HydrophobicContact CG2-CD1 3.97Å; V456-I467 HydrophobicContact CG2-CG1 3.94Å
457	V	89	Confident	87.2	Confident	49 Å²	49	63 Å²	63	30%	0.297	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.7	178.3	-172	0	0	0	0	109.6	T431 Y433 M455 K465	T431-V457 HydrophobicContact CG2-CG1 3.94Å; Y433-V457 HydrophobicContact CD1-CB 4.32Å; Y433-V457 HydrophobicContact CD1-CG1 3.95Å; Y433-V457 HydrophobicContact CD1-CG2 3.71Å; Y433-V457 HydrophobicContact CE1-CB 4.42Å; Y433-V457 HydrophobicContact CE1-CG1 3.67Å; Y433-V457 HydrophobicContact CE1-CG2 3.92Å; M455-V457 HydrophobicContact CG-CG2 4.35Å; M455-V457 HydrophobicContact SD-CG2 4.32Å; V457-K465 WeakPolarHBondContact O-CE 3.38Å
458	F	88.3	Confident	87.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	108.6	170.8	-69.9	-88.6	0	0	0	109.3	I401 V421 R423 T431 I432 V456 K465	I401-F458 HydrophobicContact CD1-CD2 3.99Å; I401-F458 HydrophobicContact CD1-CE2 4.05Å; I401-F458 HydrophobicContact CG2-CE2 4.07Å; I401-F458 HydrophobicContact CG2-CZ 4.43Å; V421-F458 HydrophobicContact CB-CZ 4.2Å; V421-F458 HydrophobicContact CG1-CE2 4.15Å; V421-F458 HydrophobicContact CG1-CZ 3.87Å; R423-F458 HydrophobicContact CB-CD1 4.23Å; R423-F458 HydrophobicContact CB-CE1 4.14Å; T431-F458 VanDerWaalsContact CA-O 3.24Å; T431-F458 WeakPolarHBondContact CA-O 3.34Å; T431-F458 WeakPolarHBondContact CG2-O 3.28Å; I432-F458 HydrophobicContact CB-CB 4.47Å; I432-F458 PolarHBondContact N-O 3.13Å; I432-F458 VanDerWaalsContact N-O 3.09Å; I432-F458 PolarHBondContact O-N 3.39Å; V456-F458 HydrophobicContact CG1-CD2 4.12Å; V456-F458 HydrophobicContact CG1-CE2 3.63Å; V456-F458 HydrophobicContact CG1-CZ 4.08Å; F458-K465 HydrophobicContact CD1-CG 3.99Å; F458-K465 HydrophobicContact CE1-CB 4.07Å; F458-K465 HydrophobicContact CE1-CG 3.73Å; F458-K465 HydrophobicContact CG-CG 4.49Å; F458-K465 HydrophobicContact CZ-CB 4.01Å; F458-K465 HydrophobicContact CZ-CG 4.02Å
459	K	85.2	Confident	88.2	Confident	125 Å²	125	63.3 Å²	63.3	54%	0.543	34%	0.338	S	S	.	.			trans	-77	166.5	172.8	-63.8	178.6	-179	173	0	111	G461 E462	K459-G461 PolarHBondContact O-N 3.46Å; K459-E462 HydrophobicContact CB-CG 4.11Å; K459-E462 WeakPolarHBondContact CB-OE2 3.14Å; K459-E462 PolarHBondContact N-OE2 3.05Å; K459-E462 WeakPolarHBondContact O-CB 3.13Å; K459-E462 PolarHBondContact O-N 2.63Å
460	P	79.8	Confident	88.1	Confident	75 Å²	75	64 Å²	64	49%	0.487	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	127.1	175.5	-26.5	36.4	0	0	0	111.5	I428 N429	I428-P460 WeakPolarHBondContact O-CA 2.87Å; N429-P460 WeakPolarHBondContact O-CG 3.22Å
461	G	77.4	Confident	88.1	Confident	48 Å²	48	58.9 Å²	58.9	50%	0.495	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-5.7	-177.4	0	0	0	0	0	116	I428 K459	I428-G461 PolarHBondContact O-N 3.38Å; I428-G461 VanDerWaalsContact O-N 3.07Å; K459-G461 PolarHBondContact O-N 3.46Å
462	E	85.3	Confident	88	Confident	54 Å²	54	56.5 Å²	56.5	25%	0.252	31%	0.314	S	S	.	.			trans	-90.4	125.6	177.2	-62.8	-178.7	154.3	0	0	111.2	K459 K465	K459-E462 HydrophobicContact CB-CG 4.11Å; K459-E462 WeakPolarHBondContact CB-OE2 3.14Å; K459-E462 PolarHBondContact N-OE2 3.05Å; K459-E462 WeakPolarHBondContact O-CB 3.13Å; K459-E462 PolarHBondContact O-N 2.63Å; E462-K465 IonicContact OE1-NZ 3.21Å; E462-K465 PolarHBondContact OE1-NZ 3.37Å; E462-K465 WeakPolarHBondContact OE2-CE 2.95Å; E462-K465 IonicContact OE2-NZ 2.8Å; E462-K465 PolarHBondContact OE2-NZ 2.94Å
463	I	85.2	Confident	87.7	Confident	87 Å²	87	59.5 Å²	59.5	45%	0.446	33%	0.329	S	S	.	.			trans	-110.8	-19.2	-178.8	50.6	162.4	0	0	0	114.1	T422 R423 I428	T422-I463 WeakPolarHBondContact CA-O 3.3Å; R423-I463 PolarHBondContact N-O 3.46Å; I428-I463 HydrophobicContact CD1-CG2 3.57Å; I428-I463 HydrophobicContact CG1-CG2 4.39Å
464	I	89.1	Confident	87	Confident	93 Å²	93	56.3 Å²	56.3	48%	0.477	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.2	-174.4	-59.3	166.1	0	0	0	108.8	T422	T422-I464 HydrophobicContact CG2-CG1 4.16Å
465	K	90.4	Very high	86	Confident	58 Å²	58	61.7 Å²	61.7	25%	0.252	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.1	170.8	-75.3	-63.9	-171.4	-164.1	0	110.9	V421 V456 V457 F458 E462	V421-K465 PolarHBondContact N-O 3.05Å; V421-K465 PolarHBondContact O-N 3.36Å; V456-K465 HydrophobicContact CG1-CB 3.43Å; V456-K465 VanDerWaalsContact CG1-CB 3.43Å; V456-K465 HydrophobicContact CG1-CG 3.59Å; V457-K465 WeakPolarHBondContact O-CE 3.38Å; F458-K465 HydrophobicContact CD1-CG 3.99Å; F458-K465 HydrophobicContact CE1-CB 4.07Å; F458-K465 HydrophobicContact CE1-CG 3.73Å; F458-K465 HydrophobicContact CG-CG 4.49Å; F458-K465 HydrophobicContact CZ-CB 4.01Å; F458-K465 HydrophobicContact CZ-CG 4.02Å; E462-K465 IonicContact OE1-NZ 3.21Å; E462-K465 PolarHBondContact OE1-NZ 3.37Å; E462-K465 WeakPolarHBondContact OE2-CE 2.95Å; E462-K465 IonicContact OE2-NZ 2.8Å; E462-K465 PolarHBondContact OE2-NZ 2.94Å
466	E	90.8	Very high	85.2	Confident	138 Å²	138	62.1 Å²	62.1	65%	0.645	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.9	-178.6	-69.7	170.9	-177	0	0	110.7	I418 L419 T420	I418-E466 HydrophobicContact CG2-CB 3.95Å; I418-E466 HydrophobicContact CG2-CG 4.01Å; L419-E466 CarbonylContact O-C 3.56Å; L419-E466 VanDerWaalsContact O-CA 3.27Å; L419-E466 WeakPolarHBondContact O-CA 3.27Å; T420-E466 HydrophobicContact CG2-CG 3.95Å
467	I	91.1	Very high	84	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.015	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.5	175.1	-63.8	166.9	0	0	0	106.9	F403 I418 L419 V421 Y436 V456 I469	F403-I467 HydrophobicContact CE1-CD1 4.16Å; I418-I467 CarbonylContact C-O 3.55Å; I418-I467 WeakPolarHBondContact CA-O 3.29Å; L419-I467 HydrophobicContact CB-CB 4.35Å; L419-I467 PolarHBondContact N-O 3.41Å; L419-I467 PolarHBondContact O-N 3.38Å; V421-I467 HydrophobicContact CG2-CD1 3.57Å; V421-I467 HydrophobicContact CG2-CG1 4.34Å; Y436-I467 HydrophobicContact CD1-CD1 3.78Å; Y436-I467 HydrophobicContact CD1-CG1 4.13Å; Y436-I467 HydrophobicContact CD2-CD1 4Å; Y436-I467 HydrophobicContact CD2-CG2 3.79Å; Y436-I467 HydrophobicContact CE1-CD1 4.2Å; Y436-I467 HydrophobicContact CE1-CG1 4.03Å; Y436-I467 HydrophobicContact CE1-CG2 4.26Å; Y436-I467 HydrophobicContact CE2-CB 4.5Å; Y436-I467 HydrophobicContact CE2-CD1 4.43Å; Y436-I467 HydrophobicContact CE2-CG1 4.46Å; Y436-I467 HydrophobicContact CE2-CG2 3.31Å; Y436-I467 HydrophobicContact CG-CD1 3.65Å; Y436-I467 HydrophobicContact CG-CG1 4.35Å; Y436-I467 HydrophobicContact CG-CG2 4.44Å; V456-I467 HydrophobicContact CG2-CD1 3.97Å; V456-I467 HydrophobicContact CG2-CG1 3.94Å; I467-I469 HydrophobicContact CG2-CG1 4.21Å
468	S	90.4	Very high	83.3	Confident	81 Å²	81	67.3 Å²	67.3	57%	0.566	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.8	177.5	58.5	0	0	0	0	110.9	A417	A417-S468 WeakPolarHBondContact O-CA 3.39Å
469	I	91.9	Very high	82.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127	178	-57.1	174.5	0	0	0	108	A416 A417 L419 T438 Y449 I467 F483 V485	A416-I469 CarbonylContact C-O 3.52Å; A416-I469 WeakPolarHBondContact CA-O 3.44Å; A416-I469 WeakPolarHBondContact CB-O 3.46Å; A417-I469 PolarHBondContact N-O 3.35Å; A417-I469 PolarHBondContact O-N 2.98Å; L419-I469 HydrophobicContact CD1-CD1 3.63Å; L419-I469 HydrophobicContact CD1-CG1 4.15Å; T438-I469 HydrophobicContact CG2-CD1 3.7Å; T438-I469 HydrophobicContact CG2-CG1 4.35Å; T438-I469 HydrophobicContact CG2-CG2 4.38Å; Y449-I469 HydrophobicContact CD2-CG2 4.08Å; I467-I469 HydrophobicContact CG2-CG1 4.21Å; I469-F483 HydrophobicContact CD1-CE2 3.86Å; I469-F483 HydrophobicContact CD1-CZ 4.34Å; I469-F483 HydrophobicContact CG2-CE2 4.11Å; I469-F483 HydrophobicContact CG2-CZ 4Å; I469-V485 HydrophobicContact CD1-CG1 4.3Å; I469-V485 HydrophobicContact CD1-CG2 3.47Å; I469-V485 VanDerWaalsContact CD1-CG2 3.47Å
470	G	88.8	Confident	82.4	Confident	15 Å²	15	73.6 Å²	73.6	16%	0.155	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.7	178.9	0	0	0	0	0	112.1	G415 Y449 E450	G415-G470 WeakPolarHBondContact O-CA 3.48Å; Y449-G470 WeakPolarHBondContact CA-O 3.41Å; E450-G470 PolarHBondContact N-O 3.14Å
471	I	91.3	Very high	82.7	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.056	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-108.7	136.4	173.1	-54.5	-58.2	0	0	0	107.7	E412 G415 A417 F483 I522	E412-I471 WeakPolarHBondContact O-CG2 3.38Å; G415-I471 PolarHBondContact O-N 3.06Å; A417-I471 HydrophobicContact CB-CD1 4.08Å; A417-I471 HydrophobicContact CB-CG1 4.1Å; I471-F483 HydrophobicContact CD1-CE1 3.88Å; I471-F483 HydrophobicContact CD1-CZ 4.1Å; I471-I522 HydrophobicContact CD1-CD1 4.3Å; I471-I522 HydrophobicContact CD1-CG1 4.38Å; I471-I522 HydrophobicContact CG2-CD1 4.41Å; I471-I522 HydrophobicContact CG2-CG2 4.28Å
472	I	87	Confident	83.3	Confident	58 Å²	58	73 Å²	73	30%	0.297	37%	0.372	S	S	.	.			trans	-94.9	137.9	-179.3	-58.8	171	0	0	0	107.4	E412 A447 D448	E412-I472 VanDerWaalsContact CG-O 3.27Å; E412-I472 WeakPolarHBondContact CG-O 3.49Å; A447-I472 WeakPolarHBondContact O-CB 3.44Å; A447-I472 WeakPolarHBondContact O-CD1 3.34Å; A447-I472 WeakPolarHBondContact O-CG2 3.42Å; D448-I472 PolarHBondContact O-N 3.05Å
473	D	82.4	Confident	83.7	Confident	92 Å²	92	70.4 Å²	70.4	49%	0.492	36%	0.359	S	S	.	.			trans	-118.1	125.9	-171.8	-176.1	46.6	0	0	0	110.5	N413	N413-D473 VanDerWaalsContact CA-OD1 3.27Å; N413-D473 WeakPolarHBondContact CA-OD1 3.46Å; N413-D473 PolarHBondContact N-OD1 3.05Å
474	D	76.9	Confident	84	Confident	63 Å²	63	69.1 Å²	69.1	34%	0.337	35%	0.351	S	S	.	.			trans	-129.1	-174.6	170.5	88.5	37	0	0	0	114	E412 I476	E412-D474 PolarHBondContact OE1-N 3.44Å; D474-I476 WeakPolarHBondContact OD1-CB 3.17Å; D474-I476 PolarHBondContact OD1-N 2.85Å
475	D	67.9	Low	84.2	Confident	140 Å²	140	64.7 Å²	64.7	75%	0.749	33%	0.328	S	S	*	.	S	Bend	trans	-115.8	21.8	-172.4	-74.1	-51.9	0	0	0	111.2
476	I	70.9	Confident	84.2	Confident	104 Å²	104	65.6 Å²	65.6	53%	0.533	33%	0.33	S	S	.	.	S	Bend	trans	-111.1	127.8	-175.4	-57.1	175.8	0	0	0	108.7	D474 E478	D474-I476 WeakPolarHBondContact OD1-CB 3.17Å; D474-I476 PolarHBondContact OD1-N 2.85Å; I476-E478 HydrophobicContact CG2-CG 4.48Å; I476-E478 PolarHBondContact O-N 3.49Å
477	F	64.9	Low	84.2	Confident	104 Å²	104	59.1 Å²	59.1	46%	0.456	30%	0.3	S	S	.	.			trans	-64.1	122.7	173.5	176.4	-94.3	0	0	0	111.4	D524 D526 H527	F477-D524 WeakPolarHBondContact CA-OD2 3.26Å; F477-D524 WeakPolarHBondContact CD2-OD2 3.13Å; F477-D524 WeakPolarHBondContact CE2-OD2 3.24Å; F477-D524 WeakPolarHBondContact CG-OD2 3.31Å; F477-D526 HydrophobicContact CD2-CB 4.49Å; F477-H527 HydrophobicContact CE2-CB 4.25Å
478	E	74.3	Confident	83.9	Confident	65 Å²	65	62.6 Å²	62.6	30%	0.304	32%	0.318	S	S	.	.			trans	-126.8	164.8	-178.6	-66.7	-169.5	142.5	0	0	111.4	I476 D524	I476-E478 HydrophobicContact CG2-CG 4.48Å; I476-E478 PolarHBondContact O-N 3.49Å; E478-D524 PolarHBondContact N-OD2 3.25Å
479	E	74.2	Confident	83.3	Confident	166 Å²	166	63 Å²	63	78%	0.776	31%	0.314	S	S	*	.			trans	-81.3	154.4	174.2	-66.6	-174.1	177	0	0	110.2	E481	E479-E481 WeakPolarHBondContact O-CG 3.12Å; E479-E481 PolarHBondContact O-N 3.29Å
480	D	80.3	Confident	82.8	Confident	90 Å²	90	65 Å²	65	48%	0.481	33%	0.325	S	S	.	.			trans	-54	116.5	177.1	-69.2	-16.4	0	0	0	111.7	T521 L523	D480-T521 HydrophobicContact CB-CG2 4.34Å; D480-L523 HydrophobicContact CB-CD2 4.28Å; D480-L523 WeakPolarHBondContact OD1-CD2 3.34Å
481	E	86.6	Confident	82.4	Confident	45 Å²	45	69.1 Å²	69.1	21%	0.21	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	157.4	-179	-52.9	-154.3	143	0	0	112.3	S442 A443 D448 E479 T521 I522	S442-E481 VanDerWaalsContact OG-CA 3.26Å; S442-E481 WeakPolarHBondContact OG-CA 3.37Å; A443-E481 VanDerWaalsContact CA-OE2 3.24Å; A443-E481 WeakPolarHBondContact CA-OE2 3.26Å; A443-E481 HydrophobicContact CB-CB 3.82Å; D448-E481 VanDerWaalsContact CG-OE2 3.27Å; E479-E481 WeakPolarHBondContact O-CG 3.12Å; E479-E481 PolarHBondContact O-N 3.29Å; E481-T521 CarbonylContact O-C 3.5Å; E481-T521 VanDerWaalsContact O-CA 3.3Å; E481-T521 WeakPolarHBondContact O-CA 3.4Å; E481-T521 WeakPolarHBondContact O-CG2 3.41Å; E481-I522 PolarHBondContact N-O 3.26Å; E481-I522 VanDerWaalsContact N-O 3.13Å; E481-I522 PolarHBondContact O-N 2.84Å
482	H	89.9	Confident	81.7	Confident	65 Å²	65	70.9 Å²	70.9	30%	0.301	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.1	179.3	66.7	-74.2	0	0	0	113.2	G441 S442 A443 F484 T519 V520	G441-H482 CarbonylContact C-O 3.52Å; G441-H482 WeakPolarHBondContact CA-O 3.49Å; G441-H482 PolarHBondContact N-O 3.28Å; S442-H482 PolarHBondContact N-O 3.41Å; S442-H482 PolarHBondContact OG-N 3.2Å; S442-H482 PolarHBondContact OG-ND1 3.36Å; S442-H482 VanDerWaalsContact OG-ND1 3.1Å; A443-H482 PolarHBondContact N-O 2.78Å; H482-F484 AromaticContact CD2-CE2 3.81Å; H482-F484 AromaticContact CD2-CZ 3.49Å; H482-F484 VanDerWaalsContact CD2-CZ 3.49Å; H482-F484 WeakPolarHBondContact CD2-CZ 3.47Å; H482-F484 AromaticContact NE2-CE2 3.95Å; H482-F484 AromaticContact NE2-CZ 3.7Å; H482-T519 HydrophobicContact CB-CG2 4.22Å; H482-V520 CarbonylContact C-O 3.44Å; H482-V520 WeakPolarHBondContact CA-O 3.12Å; H482-V520 WeakPolarHBondContact CB-O 3.49Å
483	F	93.2	Very high	80.9	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	167.1	170	69.5	-87.5	0	0	0	110.6	T438 A443 Y449 I469 I471 V485 V520 I522	T438-F483 HydrophobicContact CG2-CE2 4.4Å; A443-F483 HydrophobicContact CB-CB 4.31Å; A443-F483 HydrophobicContact CB-CD1 4.43Å; Y449-F483 HydrophobicContact CD1-CB 4.07Å; Y449-F483 AromaticContact CD1-CD1 3.83Å; Y449-F483 HydrophobicContact CD1-CD1 3.83Å; Y449-F483 HydrophobicContact CD1-CE1 4.39Å; Y449-F483 AromaticContact CD1-CG 3.91Å; Y449-F483 HydrophobicContact CD1-CG 3.91Å; Y449-F483 HydrophobicContact CD2-CD1 4.36Å; Y449-F483 HydrophobicContact CD2-CD2 4.03Å; Y449-F483 HydrophobicContact CD2-CE1 4.36Å; Y449-F483 HydrophobicContact CD2-CE2 4.04Å; Y449-F483 HydrophobicContact CD2-CG 4.19Å; Y449-F483 HydrophobicContact CD2-CZ 4.2Å; Y449-F483 HydrophobicContact CE1-CB 3.57Å; Y449-F483 HydrophobicContact CE1-CD1 4.22Å; Y449-F483 HydrophobicContact CE1-CD2 4.37Å; Y449-F483 AromaticContact CE1-CG 3.82Å; Y449-F483 HydrophobicContact CE1-CG 3.82Å; Y449-F483 HydrophobicContact CE2-CB 4.46Å; Y449-F483 AromaticContact CE2-CD2 3.82Å; Y449-F483 HydrophobicContact CE2-CD2 3.82Å; Y449-F483 HydrophobicContact CE2-CE2 4.19Å; Y449-F483 HydrophobicContact CE2-CG 4.1Å; Y449-F483 AromaticContact CG-CD1 3.92Å; Y449-F483 HydrophobicContact CG-CD1 3.92Å; Y449-F483 HydrophobicContact CG-CD2 4.39Å; Y449-F483 HydrophobicContact CG-CE1 4.02Å; Y449-F483 HydrophobicContact CG-CE2 4.49Å; Y449-F483 HydrophobicContact CG-CG 4.1Å; Y449-F483 HydrophobicContact CG-CZ 4.31Å; Y449-F483 AromaticContact CZ-CG 3.91Å; I469-F483 HydrophobicContact CD1-CE2 3.86Å; I469-F483 HydrophobicContact CD1-CZ 4.34Å; I469-F483 HydrophobicContact CG2-CE2 4.11Å; I469-F483 HydrophobicContact CG2-CZ 4Å; I471-F483 HydrophobicContact CD1-CE1 3.88Å; I471-F483 HydrophobicContact CD1-CZ 4.1Å; F483-V485 HydrophobicContact CD2-CG2 4.27Å; F483-V485 HydrophobicContact CE2-CG2 3.87Å; F483-V520 HydrophobicContact CD1-CB 4Å; F483-V520 HydrophobicContact CD1-CG1 4.34Å; F483-V520 HydrophobicContact CD2-CB 4.31Å; F483-V520 HydrophobicContact CD2-CG2 4.45Å; F483-V520 HydrophobicContact CE1-CB 3.53Å; F483-V520 HydrophobicContact CE1-CG1 3.49Å; F483-V520 VanDerWaalsContact CE1-CG1 3.49Å; F483-V520 HydrophobicContact CE1-CG2 4.31Å; F483-V520 HydrophobicContact CE2-CB 3.87Å; F483-V520 HydrophobicContact CE2-CG1 4.43Å; F483-V520 HydrophobicContact CE2-CG2 3.78Å; F483-V520 HydrophobicContact CG-CB 4.37Å; F483-V520 HydrophobicContact CZ-CB 3.46Å; F483-V520 VanDerWaalsContact CZ-CB 3.46Å; F483-V520 HydrophobicContact CZ-CG1 3.56Å; F483-V520 HydrophobicContact CZ-CG2 3.71Å; F483-V520 PolarHBondContact N-O 3.21Å; F483-V520 PolarHBondContact O-N 2.81Å; F483-I522 HydrophobicContact CD1-CD1 4.08Å; F483-I522 HydrophobicContact CD1-CG1 4.27Å; F483-I522 HydrophobicContact CE1-CD1 4.06Å; F483-I522 HydrophobicContact CE1-CG1 4.09Å
484	F	92.1	Very high	79.8	Confident	60 Å²	60	74.3 Å²	74.3	26%	0.263	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.6	-175.3	-59.1	-75.9	0	0	0	112.2	T438 E439 H482 V517 A518 T519	T438-F484 CarbonylContact C-O 3.56Å; T438-F484 WeakPolarHBondContact CA-O 3.38Å; E439-F484 HydrophobicContact CB-CB 4.23Å; E439-F484 PolarHBondContact N-O 3.41Å; E439-F484 PolarHBondContact O-N 3.26Å; H482-F484 AromaticContact CD2-CE2 3.81Å; H482-F484 AromaticContact CD2-CZ 3.49Å; H482-F484 VanDerWaalsContact CD2-CZ 3.49Å; H482-F484 WeakPolarHBondContact CD2-CZ 3.47Å; H482-F484 AromaticContact NE2-CE2 3.95Å; H482-F484 AromaticContact NE2-CZ 3.7Å; F484-V517 HydrophobicContact CB-CG1 3.94Å; F484-V517 HydrophobicContact CD1-CG1 3.96Å; F484-V517 HydrophobicContact CG-CG1 4.32Å; F484-A518 CarbonylContact C-O 3.55Å; F484-A518 WeakPolarHBondContact CA-O 3.22Å; F484-T519 HydrophobicContact CD1-CG2 4.03Å; F484-T519 HydrophobicContact CE1-CG2 3.69Å; F484-T519 WeakPolarHBondContact CE1-OG1 3.43Å
485	V	92.7	Very high	78.6	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.6	173	-167.1	0	0	0	0	108.9	F403 L419 Y436 T438 I469 F483 V517 A518 V520	F403-V485 WeakPolarHBondContact CE2-O 3.47Å; F403-V485 HydrophobicContact CZ-CB 4.07Å; F403-V485 HydrophobicContact CZ-CG1 3.81Å; L419-V485 HydrophobicContact CD2-CB 3.9Å; L419-V485 HydrophobicContact CD2-CG1 4.33Å; L419-V485 HydrophobicContact CD2-CG2 3.6Å; Y436-V485 HydrophobicContact CD2-CG1 4.34Å; T438-V485 HydrophobicContact CG2-CG2 4.29Å; I469-V485 HydrophobicContact CD1-CG1 4.3Å; I469-V485 HydrophobicContact CD1-CG2 3.47Å; I469-V485 VanDerWaalsContact CD1-CG2 3.47Å; F483-V485 HydrophobicContact CD2-CG2 4.27Å; F483-V485 HydrophobicContact CE2-CG2 3.87Å; V485-V517 CarbonylContact O-C 3.59Å; V485-V517 VanDerWaalsContact O-CA 3.28Å; V485-V517 WeakPolarHBondContact O-CA 3.22Å; V485-A518 HydrophobicContact CB-CB 4.44Å; V485-A518 PolarHBondContact N-O 2.92Å; V485-A518 PolarHBondContact O-N 3.09Å; V485-V520 HydrophobicContact CG2-CG2 4.04Å
486	R	91	Very high	77.8	Confident	78 Å²	78	79.3 Å²	79.3	29%	0.294	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.5	-173.8	-175.3	-177.4	-60.6	-82.9	-6.3	111.8	Y436 K437 E439 V517	Y436-R486 VanDerWaalsContact CA-O 3.26Å; Y436-R486 WeakPolarHBondContact CA-O 3.21Å; K437-R486 PolarHBondContact N-O 3.47Å; K437-R486 PolarHBondContact O-N 3.47Å; E439-R486 IonicContact OE1-CZ 3.8Å; E439-R486 IonicContact OE1-NE 2.89Å; E439-R486 PolarHBondContact OE1-NE 3.45Å; E439-R486 IonicContact OE1-NH2 3.83Å; E439-R486 IonicContact OE2-CZ 3.48Å; E439-R486 IonicContact OE2-NE 3.21Å; E439-R486 PolarHBondContact OE2-NE 3.27Å; E439-R486 IonicContact OE2-NH2 2.85Å; E439-R486 PolarHBondContact OE2-NH2 3.2Å; R486-V517 HydrophobicContact CB-CG2 4.32Å; R486-V517 HydrophobicContact CG-CG2 4.08Å
487	L	90.1	Very high	76.7	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.005	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.5	168.7	-60.7	173.1	0	0	0	110.7	F403 V421 V434 D435 L512 T516	F403-L487 HydrophobicContact CD2-CD1 3.84Å; F403-L487 HydrophobicContact CD2-CG 3.97Å; F403-L487 HydrophobicContact CE1-CD2 4.31Å; F403-L487 HydrophobicContact CE1-CG 4.47Å; F403-L487 HydrophobicContact CE2-CD1 3.83Å; F403-L487 HydrophobicContact CE2-CD2 4.01Å; F403-L487 HydrophobicContact CE2-CG 3.43Å; F403-L487 VanDerWaalsContact CE2-CG 3.43Å; F403-L487 HydrophobicContact CG-CD1 4.27Å; F403-L487 HydrophobicContact CZ-CD1 4.21Å; F403-L487 HydrophobicContact CZ-CD2 3.72Å; F403-L487 HydrophobicContact CZ-CG 3.7Å; V421-L487 HydrophobicContact CG1-CD1 3.94Å; V421-L487 HydrophobicContact CG1-CD2 4.48Å; V421-L487 HydrophobicContact CG2-CD1 4.45Å; V421-L487 HydrophobicContact CG2-CD2 4.07Å; V434-L487 HydrophobicContact CG1-CB 3.91Å; V434-L487 HydrophobicContact CG1-CD2 3.85Å; V434-L487 HydrophobicContact CG1-CG 4.29Å; D435-L487 CarbonylContact O-C 3.53Å; D435-L487 WeakPolarHBondContact O-CA 3.38Å; L487-L512 HydrophobicContact CB-CD2 4.21Å; L487-T516 PolarHBondContact N-O 3.18Å
488	N	85	Confident	76	Confident	77 Å²	77	83.9 Å²	83.9	41%	0.412	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.1	-179.2	-77.6	-23.9	0	0	0	111.5	D435 L490	D435-N488 PolarHBondContact N-O 3.04Å; D435-N488 PolarHBondContact O-N 3.38Å; N488-L490 PolarHBondContact O-N 3.39Å
489	N	78.4	Confident	74.8	Confident	88 Å²	88	86.7 Å²	86.7	47%	0.471	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.8	54.5	166.5	-162.8	31.9	0	0	0	116	D435 R491	D435-N489 HydrophobicContact CB-CB 4.2Å; D435-N489 WeakPolarHBondContact OD2-CB 3.41Å; D435-N489 PolarHBondContact OD2-ND2 3.25Å; N489-R491 PolarHBondContact ND2-NH2 2.89Å; N489-R491 PolarHBondContact O-N 2.95Å
490	L	81.4	Confident	73.5	Confident	43 Å²	43	87.2 Å²	87.2	23%	0.225	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	123	174.6	-179.3	72.7	0	0	0	111.8	I401 I432 Y433 V434 N488 A510 I511 L512	I401-L490 HydrophobicContact CD1-CD1 3.7Å; I401-L490 HydrophobicContact CG1-CD1 4.42Å; I432-L490 HydrophobicContact CG2-CD1 3.35Å; I432-L490 HydrophobicContact CG2-CG 4.38Å; Y433-L490 CarbonylContact O-C 3.52Å; Y433-L490 WeakPolarHBondContact O-CA 3.38Å; V434-L490 HydrophobicContact CG2-CD1 3.4Å; N488-L490 PolarHBondContact O-N 3.39Å; L490-A510 HydrophobicContact CD2-CB 3.86Å; L490-A510 HydrophobicContact CG-CB 4.47Å; L490-I511 VanDerWaalsContact CD2-C 3.47Å; L490-L512 HydrophobicContact CB-CD2 4.28Å; L490-L512 HydrophobicContact CB-CG 4.18Å; L490-L512 HydrophobicContact CD2-CG 4.44Å
491	R	80.6	Confident	71.6	Confident	101 Å²	101	87 Å²	87	38%	0.381	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.3	178.9	-62.8	171.6	-81.8	-172	-8.3	111.2	I432 Y433 D435 N489	I432-R491 WeakPolarHBondContact CA-O 3.13Å; Y433-R491 HydrophobicContact CD2-CB 4.41Å; Y433-R491 PolarHBondContact N-O 3.03Å; Y433-R491 PolarHBondContact O-N 3.05Å; D435-R491 IonicContact OD1-NH2 3.1Å; D435-R491 PolarHBondContact OD1-NH2 3.25Å; D435-R491 IonicContact OD2-NH2 2.74Å; D435-R491 PolarHBondContact OD2-NH2 2.88Å; D435-R491 VanDerWaalsContact OD2-NH2 3.1Å; N489-R491 PolarHBondContact ND2-NH2 2.89Å; N489-R491 PolarHBondContact O-N 2.95Å
492	V	75.4	Confident	69.6	Low	48 Å²	48	89.9 Å²	89.9	29%	0.291	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.1	177.3	-175.5	0	0	0	0	109.4	K430 I432 A510	K430-V492 HydrophobicContact CB-CG1 4.42Å; I432-V492 HydrophobicContact CG1-CG2 4.36Å; V492-A510 HydrophobicContact CG2-CB 3.63Å
493	L	70.3	Confident	67.4	Low	97 Å²	97	94 Å²	94	51%	0.508	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-79.8	117.5	175.4	-166.4	69.7	0	0	0	110.1	T431 Y433	T431-L493 PolarHBondContact O-N 2.97Å; T431-L493 VanDerWaalsContact O-N 3.13Å; Y433-L493 HydrophobicContact CE2-CB 4.22Å
494	E	59.3	Low	65	Low	125 Å²	125	98.8 Å²	98.8	58%	0.584	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-98.5	127	171.8	-64.2	-167.4	146.7	0	0	110.3	K509	E494-K509 IonicContact OE1-NZ 3.97Å; E494-K509 PolarHBondContact OE1-NZ 3.48Å
495	T	52.7	Low	62.8	Low	125 Å²	125	102.1 Å²	102.1	77%	0.767	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-80.4	136.4	169.2	6.4	0	0	0	0	109.7	D497	T495-D497 PolarHBondContact O-N 3.24Å
496	E	50.2	Low	60.6	Low	184 Å²	184	108 Å²	108	86%	0.86	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	5.2	-169.4	-68.3	-177.6	153.8	0	0	116.8
497	D	47.3	Very low	58.5	Low	163 Å²	163	112.1 Å²	112.1	87%	0.872	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-0.1	-175.8	-79.8	-30.5	0	0	0	115.4	T495	T495-D497 PolarHBondContact O-N 3.24Å
498	E	51.2	Low	56.9	Low	140 Å²	140	115.8 Å²	115.8	65%	0.654	64%	0.635	S	S	*	*			trans	-105.7	23.5	-178.4	-76.8	-170	157.2	0	0	115.1	K430 L500	K430-E498 IonicContact NZ-OE2 3.63Å; K430-E498 PolarHBondContact NZ-OE2 2.84Å; E498-L500 VanDerWaalsContact C-N 3.3Å; E498-L500 PolarHBondContact O-N 3.04Å
499	V	48.2	Very low	55.9	Low	124 Å²	124	117 Å²	117	75%	0.752	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	2.5	-178.2	-161.8	0	0	0	0	113.6
500	L	47.6	Very low	55.5	Low	178 Å²	178	113.4 Å²	113.4	93%	0.932	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	36.8	-174.3	-68.1	175.6	0	0	0	115.7	E498	E498-L500 VanDerWaalsContact C-N 3.3Å; E498-L500 PolarHBondContact O-N 3.04Å
501	S	40.8	Very low	55.4	Low	86 Å²	86	114.2 Å²	114.2	60%	0.601	62%	0.623	S	S	*	*			trans	-129.2	107	162.9	-166.2	0	0	0	0	111.7	N503	S501-N503 PolarHBondContact O-N 3.46Å
502	A	43.8	Very low	55.5	Low	104 Å²	104	112.2 Å²	112.2	86%	0.86	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	30.2	-176	0	0	0	0	0	114.5
503	N	43.7	Very low	55.6	Low	151 Å²	151	110.3 Å²	110.3	81%	0.807	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	22.3	-173	-88.9	-8.9	0	0	0	115.3	S501	S501-N503 PolarHBondContact O-N 3.46Å
504	S	42.9	Very low	55.8	Low	102 Å²	102	115.4 Å²	115.4	71%	0.713	63%	0.628	S	S	*	*			trans	-89.7	117.8	174.2	-53.5	0	0	0	0	111.3
505	L	46.7	Very low	57	Low	129 Å²	129	110.4 Å²	110.4	68%	0.675	61%	0.606	S	S	*	*			trans	-51.3	152.7	172.8	-68.9	152.1	0	0	0	112.2	Y507	L505-Y507 HydrophobicContact CB-CD2 3.58Å; L505-Y507 HydrophobicContact CB-CE2 3.75Å; L505-Y507 HydrophobicContact CD1-CE2 4.32Å; L505-Y507 HydrophobicContact CD2-CE2 4.32Å; L505-Y507 HydrophobicContact CG-CE2 4.35Å; L505-Y507 PolarHBondContact O-N 2.98Å
506	P	45.3	Very low	58.5	Low	124 Å²	124	106.7 Å²	106.7	81%	0.805	58%	0.584	S	S	*	*	S	Bend	trans	-82.7	51.7	-171.8	36.8	-36.4	0	0	0	112.5
507	Y	48.6	Very low	60.4	Low	164 Å²	164	99.6 Å²	99.6	64%	0.643	55%	0.553	S	S	*	*			trans	-106.4	136.1	177.8	-61.8	-70.5	0	0	0	110.8	L505 K509	L505-Y507 HydrophobicContact CB-CD2 3.58Å; L505-Y507 HydrophobicContact CB-CE2 3.75Å; L505-Y507 HydrophobicContact CD1-CE2 4.32Å; L505-Y507 HydrophobicContact CD2-CE2 4.32Å; L505-Y507 HydrophobicContact CG-CE2 4.35Å; L505-Y507 PolarHBondContact O-N 2.98Å; Y507-K509 PolarHBondContact O-N 2.83Å
508	P	55.8	Low	62.5	Low	79 Å²	79	91.9 Å²	91.9	51%	0.513	51%	0.511	S	S	.	.			trans	-63.7	127.2	177.2	25.6	-32.5	0	0	0	110.3	A510 I511	P508-A510 PolarHBondContact O-N 3.48Å; P508-I511 HydrophobicContact CB-CG2 3.97Å; P508-I511 HydrophobicContact CG-CG2 3.56Å
509	K	63.5	Low	64.3	Low	101 Å²	101	87.2 Å²	87.2	44%	0.439	49%	0.492	S	S	.	.	S	Bend	trans	-64.6	-21.4	-177.5	-66.3	176.6	-177.2	170.2	0	113.2	E494 Y507	E494-K509 IonicContact OE1-NZ 3.97Å; E494-K509 PolarHBondContact OE1-NZ 3.48Å; Y507-K509 PolarHBondContact O-N 2.83Å
510	A	69.8	Low	66.4	Low	14 Å²	14	81.3 Å²	81.3	12%	0.116	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	145.6	171.1	0	0	0	0	0	110.9	S399 I432 L490 V492 P508	S399-A510 CarbonylContact O-C 3.51Å; S399-A510 VanDerWaalsContact O-CA 3.24Å; S399-A510 WeakPolarHBondContact O-CA 3.37Å; I432-A510 HydrophobicContact CD1-CB 4.22Å; L490-A510 HydrophobicContact CD2-CB 3.86Å; L490-A510 HydrophobicContact CG-CB 4.47Å; V492-A510 HydrophobicContact CG2-CB 3.63Å; P508-A510 PolarHBondContact O-N 3.48Å
511	I	80.6	Confident	68.3	Low	60 Å²	60	74.2 Å²	74.2	31%	0.308	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.3	175.9	62.1	174.9	0	0	0	110.8	V398 S399 R400 I401 L490 P508 G513	V398-I511 HydrophobicContact CG1-CD1 4.26Å; V398-I511 HydrophobicContact CG1-CG1 3.97Å; S399-I511 PolarHBondContact O-N 3.1Å; R400-I511 WeakPolarHBondContact CA-O 3.32Å; R400-I511 HydrophobicContact CG-CD1 4.21Å; R400-I511 HydrophobicContact CG-CG1 3.96Å; I401-I511 PolarHBondContact N-O 3.07Å; I401-I511 VanDerWaalsContact N-O 3.17Å; L490-I511 VanDerWaalsContact CD2-C 3.47Å; P508-I511 HydrophobicContact CB-CG2 3.97Å; P508-I511 HydrophobicContact CG-CG2 3.56Å; I511-G513 PolarHBondContact O-N 3.09Å
512	L	81.4	Confident	70.5	Confident	59 Å²	59	70.7 Å²	70.7	31%	0.309	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.5	166.7	-71.1	170.7	0	0	0	108.1	V434 L487 L490 T516	V434-L512 HydrophobicContact CG1-CD2 4.27Å; L487-L512 HydrophobicContact CB-CD2 4.21Å; L490-L512 HydrophobicContact CB-CD2 4.28Å; L490-L512 HydrophobicContact CB-CG 4.18Å; L490-L512 HydrophobicContact CD2-CG 4.44Å; L512-T516 HydrophobicContact CB-CG2 3.86Å
513	G	78.9	Confident	72.2	Confident	8 Å²	8	67.6 Å²	67.6	8%	0.082	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-83.2	167.6	176.1	0	0	0	0	0	111.6	I401 I511 P515 T516	I401-G513 PolarHBondContact O-N 3.46Å; I511-G513 PolarHBondContact O-N 3.09Å; G513-P515 CarbonylContact O-C 3.59Å; G513-T516 WeakPolarHBondContact O-CG2 3.42Å
514	F	74.9	Confident	73.9	Confident	203 Å²	203	60.8 Å²	60.8	89%	0.89	33%	0.327	S	S	*	.	S	Bend	trans	-91.8	132	172.7	-170.1	-92.6	0	0	0	108.8
515	P	82.7	Confident	75.1	Confident	21 Å²	21	56.7 Å²	56.7	14%	0.136	30%	0.298	C	S	.	.	P	Polyproline II helix	cis	-83.9	141.2	0.8	35.3	-39.1	0	0	0	114.2	F403 A406 G513	F403-P515 HydrophobicContact CB-CG 4.14Å; F403-P515 PolarHBondContact N-O 3.45Å; F403-P515 VanDerWaalsContact N-O 3.15Å; F403-P515 WeakPolarHBondContact O-CD 3.44Å; F403-P515 WeakPolarHBondContact O-CG 3.44Å; A406-P515 HydrophobicContact CB-CB 4.05Å; A406-P515 HydrophobicContact CB-CG 3.58Å; G513-P515 CarbonylContact O-C 3.59Å
516	T	85.2	Confident	76.1	Confident	47 Å²	47	52.3 Å²	52.3	29%	0.288	28%	0.275	S	S	.	.	S	Bend	trans	-92	-12.4	172.4	57.2	0	0	0	0	113.6	L487 L512 G513	L487-T516 PolarHBondContact N-O 3.18Å; L512-T516 HydrophobicContact CB-CG2 3.86Å; G513-T516 WeakPolarHBondContact O-CG2 3.42Å
517	V	89.3	Confident	77.6	Confident	35 Å²	35	47.1 Å²	47.1	21%	0.212	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126	177.8	-179.2	0	0	0	0	107.2	F484 V485 R486	F484-V517 HydrophobicContact CB-CG1 3.94Å; F484-V517 HydrophobicContact CD1-CG1 3.96Å; F484-V517 HydrophobicContact CG-CG1 4.32Å; V485-V517 CarbonylContact O-C 3.59Å; V485-V517 VanDerWaalsContact O-CA 3.28Å; V485-V517 WeakPolarHBondContact O-CA 3.22Å; R486-V517 HydrophobicContact CB-CG2 4.32Å; R486-V517 HydrophobicContact CG-CG2 4.08Å
518	A	91	Very high	78.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.3	167.6	0	0	0	0	0	109.4	F403 A406 Y408 L419 F484 V485	F403-A518 HydrophobicContact CB-CB 4.18Å; F403-A518 HydrophobicContact CD1-CB 3.92Å; F403-A518 HydrophobicContact CD2-CB 3.6Å; F403-A518 HydrophobicContact CE1-CB 4.12Å; F403-A518 HydrophobicContact CE2-CB 3.78Å; F403-A518 HydrophobicContact CG-CB 3.66Å; F403-A518 HydrophobicContact CZ-CB 4.06Å; A406-A518 WeakPolarHBondContact O-CA 3.22Å; Y408-A518 HydrophobicContact CD2-CB 3.97Å; Y408-A518 HydrophobicContact CE2-CB 3.8Å; L419-A518 HydrophobicContact CD2-CB 3.72Å; F484-A518 CarbonylContact C-O 3.55Å; F484-A518 WeakPolarHBondContact CA-O 3.22Å; V485-A518 HydrophobicContact CB-CB 4.44Å; V485-A518 PolarHBondContact N-O 2.92Å; V485-A518 PolarHBondContact O-N 3.09Å
519	T	90.9	Very high	80	Confident	42 Å²	42	36.2 Å²	36.2	26%	0.258	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.9	171.3	-50.1	0	0	0	0	108	A406 A407 Y408 H482 F484	A406-T519 PolarHBondContact O-N 3.49Å; A407-T519 CarbonylContact C-O 3.57Å; A407-T519 VanDerWaalsContact CA-O 3.3Å; A407-T519 WeakPolarHBondContact CA-O 3.13Å; Y408-T519 PolarHBondContact N-O 3.12Å; H482-T519 HydrophobicContact CB-CG2 4.22Å; F484-T519 HydrophobicContact CD1-CG2 4.03Å; F484-T519 HydrophobicContact CE1-CG2 3.69Å; F484-T519 WeakPolarHBondContact CE1-OG1 3.43Å
520	V	91.2	Very high	81.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.8	174.4	-173.4	0	0	0	0	107.3	Y408 A417 L419 H482 F483 V485	Y408-V520 CarbonylContact O-C 3.57Å; Y408-V520 WeakPolarHBondContact O-CA 3.24Å; A417-V520 HydrophobicContact CB-CG1 4.25Å; L419-V520 HydrophobicContact CD1-CG2 4.17Å; L419-V520 HydrophobicContact CD2-CG2 3.87Å; L419-V520 HydrophobicContact CG-CG2 4.34Å; H482-V520 CarbonylContact C-O 3.44Å; H482-V520 WeakPolarHBondContact CA-O 3.12Å; H482-V520 WeakPolarHBondContact CB-O 3.49Å; F483-V520 HydrophobicContact CD1-CB 4Å; F483-V520 HydrophobicContact CD1-CG1 4.34Å; F483-V520 HydrophobicContact CD2-CB 4.31Å; F483-V520 HydrophobicContact CD2-CG2 4.45Å; F483-V520 HydrophobicContact CE1-CB 3.53Å; F483-V520 HydrophobicContact CE1-CG1 3.49Å; F483-V520 VanDerWaalsContact CE1-CG1 3.49Å; F483-V520 HydrophobicContact CE1-CG2 4.31Å; F483-V520 HydrophobicContact CE2-CB 3.87Å; F483-V520 HydrophobicContact CE2-CG1 4.43Å; F483-V520 HydrophobicContact CE2-CG2 3.78Å; F483-V520 HydrophobicContact CG-CB 4.37Å; F483-V520 HydrophobicContact CZ-CB 3.46Å; F483-V520 VanDerWaalsContact CZ-CB 3.46Å; F483-V520 HydrophobicContact CZ-CG1 3.56Å; F483-V520 HydrophobicContact CZ-CG2 3.71Å; F483-V520 PolarHBondContact N-O 3.21Å; F483-V520 PolarHBondContact O-N 2.81Å; V485-V520 HydrophobicContact CG2-CG2 4.04Å
521	T	88.8	Confident	82.1	Confident	30 Å²	30	33 Å²	33	18%	0.184	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.7	175.1	-44.8	0	0	0	0	108.4	Y408 Q409 C410 D480 E481 L523	Y408-T521 PolarHBondContact O-N 2.92Å; Q409-T521 WeakPolarHBondContact CA-O 3.33Å; C410-T521 PolarHBondContact N-O 3.4Å; D480-T521 HydrophobicContact CB-CG2 4.34Å; E481-T521 CarbonylContact O-C 3.5Å; E481-T521 VanDerWaalsContact O-CA 3.3Å; E481-T521 WeakPolarHBondContact O-CA 3.4Å; E481-T521 WeakPolarHBondContact O-CG2 3.41Å; T521-L523 HydrophobicContact CG2-CD2 3.89Å
522	I	85.6	Confident	82.6	Confident	11 Å²	11	31 Å²	31	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117	171.2	-54.3	174.4	0	0	0	105.5	C410 E412 A443 D448 I471 E481 F483	C410-I522 WeakPolarHBondContact O-CA 3.43Å; E412-I522 HydrophobicContact CB-CG2 4.34Å; E412-I522 HydrophobicContact CG-CG2 4.2Å; A443-I522 HydrophobicContact CB-CD1 4.06Å; D448-I522 HydrophobicContact CB-CD1 3.93Å; I471-I522 HydrophobicContact CD1-CD1 4.3Å; I471-I522 HydrophobicContact CD1-CG1 4.38Å; I471-I522 HydrophobicContact CG2-CD1 4.41Å; I471-I522 HydrophobicContact CG2-CG2 4.28Å; E481-I522 PolarHBondContact N-O 3.26Å; E481-I522 VanDerWaalsContact N-O 3.13Å; E481-I522 PolarHBondContact O-N 2.84Å; F483-I522 HydrophobicContact CD1-CD1 4.08Å; F483-I522 HydrophobicContact CD1-CG1 4.27Å; F483-I522 HydrophobicContact CE1-CD1 4.06Å; F483-I522 HydrophobicContact CE1-CG1 4.09Å
523	L	80.6	Confident	83.1	Confident	39 Å²	39	28.3 Å²	28.3	20%	0.204	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123	176.6	-58.8	177.4	0	0	0	107.5	Q409 C410 L411 E412 D480 T521	Q409-L523 HydrophobicContact CB-CD1 4.16Å; C410-L523 PolarHBondContact O-N 3.36Å; L411-L523 WeakPolarHBondContact CA-O 3.35Å; L411-L523 HydrophobicContact CD2-CB 4.29Å; E412-L523 PolarHBondContact N-O 3.35Å; D480-L523 HydrophobicContact CB-CD2 4.28Å; D480-L523 WeakPolarHBondContact OD1-CD2 3.34Å; T521-L523 HydrophobicContact CG2-CD2 3.89Å
524	D	77.7	Confident	83.5	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.043	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-62.2	136.4	166.9	177.3	16.4	0	0	0	109	F477 E478 D526	F477-D524 WeakPolarHBondContact CA-OD2 3.26Å; F477-D524 WeakPolarHBondContact CD2-OD2 3.13Å; F477-D524 WeakPolarHBondContact CE2-OD2 3.24Å; F477-D524 WeakPolarHBondContact CG-OD2 3.31Å; E478-D524 PolarHBondContact N-OD2 3.25Å; D524-D526 WeakPolarHBondContact OD1-CB 3.32Å; D524-D526 PolarHBondContact OD1-N 3.47Å
525	D	67.9	Low	84.1	Confident	16 Å²	16	26.9 Å²	26.9	9%	0.086	15%	0.149	C	C	.	.			trans	-102.4	1.1	-175.9	81	1	0	0	0	113.8	L411 N413 H527 R558	L411-D525 HydrophobicContact CD2-CB 4.04Å; N413-D525 VanDerWaalsContact CG-OD2 3.29Å; N413-D525 PolarHBondContact ND2-OD2 3.07Å; D525-H527 PolarHBondContact O-N 3.3Å; D525-R558 IonicContact OD1-NH1 2.68Å
526	D	68.6	Low	84.2	Confident	37 Å²	37	27.2 Å²	27.2	20%	0.198	16%	0.157	C	C	.	.			trans	-83.6	-1.1	-171.6	-85.4	-27.4	0	0	0	116.1	F477 D524 R558	F477-D526 HydrophobicContact CD2-CB 4.49Å; D524-D526 WeakPolarHBondContact OD1-CB 3.32Å; D524-D526 PolarHBondContact OD1-N 3.47Å; D526-R558 IonicContact OD1-CZ 2.77Å; D526-R558 IonicContact OD1-NE 3.69Å; D526-R558 IonicContact OD1-NH1 3.58Å; D526-R558 PolarHBondContact OD1-NH1 3.38Å; D526-R558 IonicContact OD1-NH2 3.99Å
527	H	76.1	Confident	84.4	Confident	16 Å²	16	27.8 Å²	27.8	7%	0.074	16%	0.163	C	C	.	.	S	Bend	trans	-84	152.4	174.2	-157.8	-78	0	0	0	113.7	F477 D525 G529 S555 G556 A557 R558 M655 K657	F477-H527 HydrophobicContact CE2-CB 4.25Å; D525-H527 PolarHBondContact O-N 3.3Å; H527-G529 PolarHBondContact ND1-N 2.85Å; H527-G529 PolarHBondContact O-N 3.37Å; H527-G529 VanDerWaalsContact O-N 3.14Å; H527-S555 WeakPolarHBondContact CB-O 3.48Å; H527-G556 CarbonylContact O-C 3.44Å; H527-G556 VanDerWaalsContact O-CA 3.3Å; H527-G556 WeakPolarHBondContact O-CA 3.42Å; H527-A557 PolarHBondContact O-N 2.94Å; H527-R558 PolarHBondContact O-N 2.94Å; H527-M655 PolarHBondContact NE2-O 3.32Å; H527-M655 VanDerWaalsContact NE2-O 3.12Å; H527-K657 PolarHBondContact CE1-O 3.47Å
528	S	72.5	Confident	84.5	Confident	14 Å²	14	28.3 Å²	28.3	10%	0.098	17%	0.166	C	C	.	.			trans	-72.9	-0.7	174.3	-55.7	0	0	0	0	115.2	R553 R558 M622 G656	S528-R553 PolarHBondContact O-NE 3.42Å; S528-R553 PolarHBondContact O-NH2 2.92Å; S528-R558 WeakPolarHBondContact CA-O 3.44Å; S528-M622 WeakPolarHBondContact OG-CE 3.29Å; S528-G656 WeakPolarHBondContact CB-O 3.46Å; S528-G656 PolarHBondContact OG-O 3.26Å
529	G	82.3	Confident	84.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.			trans	85.2	148.5	179.6	0	0	0	0	0	118.4	H527 T554 G556 P658	H527-G529 PolarHBondContact ND1-N 2.85Å; H527-G529 PolarHBondContact O-N 3.37Å; H527-G529 VanDerWaalsContact O-N 3.14Å; G529-T554 CarbonylContact C-O 3.56Å; G529-T554 VanDerWaalsContact CA-O 3.22Å; G529-T554 WeakPolarHBondContact CA-O 3.43Å; G529-G556 WeakPolarHBondContact CA-O 3.35Å; G529-G556 PolarHBondContact N-O 3.16Å; G529-P658 WeakPolarHBondContact O-CA 3.1Å
530	I	87.4	Confident	84.2	Confident	48 Å²	48	32.1 Å²	32.1	25%	0.246	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	175.2	-60.1	171.7	0	0	0	109.4	R553 T554 V659	I530-R553 CarbonylContact O-C 3.55Å; I530-R553 WeakPolarHBondContact O-CA 3.39Å; I530-T554 PolarHBondContact N-O 3Å; I530-T554 PolarHBondContact O-N 3.34Å; I530-T554 PolarHBondContact O-OG1 3.31Å; I530-V659 CarbonylContact C-O 3.58Å; I530-V659 WeakPolarHBondContact CA-O 3.21Å
531	F	89.9	Confident	83.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.9	-172.4	-60.6	-89.8	0	0	0	112.5	L552 R553 V561 V563 F588 P620 P658 V659 L660 G661	F531-L552 VanDerWaalsContact CA-O 3.31Å; F531-L552 WeakPolarHBondContact CA-O 3.29Å; F531-R553 HydrophobicContact CD1-CB 4.01Å; F531-R553 HydrophobicContact CD1-CG 4.19Å; F531-R553 HydrophobicContact CE1-CB 3.71Å; F531-R553 HydrophobicContact CE1-CG 3.58Å; F531-R553 HydrophobicContact CE2-CG 4.42Å; F531-R553 HydrophobicContact CZ-CB 4.36Å; F531-R553 HydrophobicContact CZ-CG 3.7Å; F531-V561 HydrophobicContact CD2-CG1 4.49Å; F531-V561 HydrophobicContact CE1-CG1 4.44Å; F531-V561 HydrophobicContact CE2-CB 4.11Å; F531-V561 HydrophobicContact CE2-CG1 3.53Å; F531-V561 HydrophobicContact CE2-CG2 4.35Å; F531-V561 HydrophobicContact CZ-CB 3.62Å; F531-V561 HydrophobicContact CZ-CG1 3.49Å; F531-V561 VanDerWaalsContact CZ-CG1 3.49Å; F531-V561 HydrophobicContact CZ-CG2 4.06Å; F531-V563 HydrophobicContact CB-CG2 4.35Å; F531-V563 HydrophobicContact CD1-CG2 3.53Å; F531-V563 HydrophobicContact CD2-CG2 4.12Å; F531-V563 HydrophobicContact CE1-CG2 3.76Å; F531-V563 HydrophobicContact CE2-CG2 4.36Å; F531-V563 HydrophobicContact CG-CG2 3.71Å; F531-V563 HydrophobicContact CZ-CG2 4.18Å; F531-F588 HydrophobicContact CD1-CD2 4.15Å; F531-F588 HydrophobicContact CD1-CE1 4.45Å; F531-F588 AromaticContact CD1-CE2 3.86Å; F531-F588 HydrophobicContact CD1-CE2 3.86Å; F531-F588 HydrophobicContact CD1-CZ 4.03Å; F531-F588 HydrophobicContact CE1-CB 4.27Å; F531-F588 AromaticContact CE1-CD1 3.99Å; F531-F588 HydrophobicContact CE1-CD1 3.99Å; F531-F588 AromaticContact CE1-CD2 3.56Å; F531-F588 HydrophobicContact CE1-CD2 3.56Å; F531-F588 HydrophobicContact CE1-CE1 4.15Å; F531-F588 AromaticContact CE1-CE2 3.75Å; F531-F588 HydrophobicContact CE1-CE2 3.75Å; F531-F588 AromaticContact CE1-CG 3.69Å; F531-F588 HydrophobicContact CE1-CG 3.69Å; F531-F588 HydrophobicContact CE1-CZ 4.04Å; F531-P620 HydrophobicContact CD2-CB 3.78Å; F531-P620 HydrophobicContact CD2-CG 4Å; F531-P620 HydrophobicContact CE2-CB 4.02Å; F531-P620 HydrophobicContact CE2-CG 4.48Å; F531-P658 HydrophobicContact CD2-CB 4.47Å; F531-P658 HydrophobicContact CE2-CB 3.84Å; F531-V659 PolarHBondContact N-O 3.33Å; F531-L660 WeakPolarHBondContact O-CA 3.47Å; F531-G661 PolarHBondContact O-N 3.35Å
532	T	91.4	Very high	83.5	Confident	16 Å²	16	34.4 Å²	34.4	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.2	-177.7	-173.6	0	0	0	0	111.9	L552 H663	T532-L552 HydrophobicContact CG2-CB 4.43Å; T532-L552 PolarHBondContact N-O 3.04Å; T532-L552 PolarHBondContact O-N 2.91Å; T532-H663 WeakPolarHBondContact OG1-CB 3.48Å; T532-H663 PolarHBondContact OG1-N 3.27Å; T532-H663 PolarHBondContact OG1-O 3.43Å
533	F	92.7	Very high	83.1	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	156.8	162	-65.2	-64.8	0	0	0	111.1	S535 V549 V551 L615 L617 H663 L666	F533-S535 VanDerWaalsContact C-N 3.3Å; F533-S535 PolarHBondContact O-N 3.26Å; F533-V549 HydrophobicContact CD1-CG1 3.7Å; F533-V549 HydrophobicContact CE1-CG1 3.7Å; F533-V551 HydrophobicContact CD1-CG2 4.07Å; F533-V551 HydrophobicContact CE1-CG2 3.7Å; F533-L615 HydrophobicContact CE1-CD2 3.76Å; F533-L615 HydrophobicContact CE1-CG 4.37Å; F533-L615 WeakPolarHBondContact CE2-O 3.37Å; F533-L615 HydrophobicContact CZ-CB 4.33Å; F533-L615 HydrophobicContact CZ-CD2 3.77Å; F533-L615 HydrophobicContact CZ-CG 3.85Å; F533-L617 HydrophobicContact CD2-CD1 4.25Å; F533-L617 HydrophobicContact CD2-CG 4.38Å; F533-L617 HydrophobicContact CE1-CD1 4.37Å; F533-L617 HydrophobicContact CE1-CD2 4.2Å; F533-L617 HydrophobicContact CE1-CG 4.25Å; F533-L617 HydrophobicContact CE2-CD1 3.96Å; F533-L617 HydrophobicContact CE2-CD2 4.31Å; F533-L617 HydrophobicContact CE2-CG 3.61Å; F533-L617 HydrophobicContact CZ-CD1 4.02Å; F533-L617 HydrophobicContact CZ-CD2 3.71Å; F533-L617 HydrophobicContact CZ-CG 3.52Å; F533-H663 HydrophobicContact CB-CB 4.19Å; F533-H663 VanDerWaalsContact CD2-O 3.25Å; F533-H663 WeakPolarHBondContact CD2-O 3.35Å; F533-H663 PolarHBondContact N-O 2.85Å; F533-L666 HydrophobicContact CD1-CB 4.41Å; F533-L666 HydrophobicContact CD2-CB 3.69Å; F533-L666 HydrophobicContact CE2-CB 3.91Å; F533-L666 HydrophobicContact CG-CB 3.96Å; F533-L666 HydrophobicContact CZ-CB 4.37Å
534	E	87.6	Confident	83.2	Confident	139 Å²	139	39.7 Å²	39.7	65%	0.65	23%	0.228	S	C	*	.	S	Bend	trans	-66.4	-30.8	177.4	-177.4	171.8	-144.5	0	0	112.7	L552	E534-L552 HydrophobicContact CB-CD1 4.05Å; E534-L552 HydrophobicContact CG-CD1 4.43Å
535	S	86.6	Confident	83.5	Confident	42 Å²	42	40.7 Å²	40.7	29%	0.294	24%	0.241	S	C	.	.			trans	-148.1	158.6	178.5	56.7	0	0	0	0	111.2	F533 S537 V538 L666	F533-S535 VanDerWaalsContact C-N 3.3Å; F533-S535 PolarHBondContact O-N 3.26Å; S535-S537 PolarHBondContact OG-O 3.27Å; S535-V538 WeakPolarHBondContact OG-CG2 3.28Å; S535-L666 VanDerWaalsContact O-CD1 3.26Å; S535-L666 WeakPolarHBondContact O-CD1 3.44Å
536	G	84.8	Confident	84.4	Confident	29 Å²	29	44.8 Å²	44.8	30%	0.299	26%	0.262	S	S	.	.	S	Bend	trans	-79.3	-18.6	176.8	0	0	0	0	0	114.5	H663 E667	G536-H663 PolarHBondContact N-CD2 3.49Å; G536-E667 PolarHBondContact O-N 3.47Å
537	S	90.3	Very high	85.4	Confident	59 Å²	59	43.3 Å²	43.3	41%	0.413	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.2	178.8	61.8	0	0	0	0	111.8	S535 E667	S535-S537 PolarHBondContact OG-O 3.27Å; S537-E667 CarbonylContact C-O 3.38Å; S537-E667 WeakPolarHBondContact CA-O 2.98Å
538	V	89.8	Confident	86	Confident	46 Å²	46	48.6 Å²	48.6	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.4	177.6	168.5	0	0	0	0	109.9	S535 I540 L666 E667 I669	S535-V538 WeakPolarHBondContact OG-CG2 3.28Å; V538-I540 HydrophobicContact CG1-CG2 3.94Å; V538-L666 HydrophobicContact CB-CD1 4.2Å; V538-L666 HydrophobicContact CG2-CD1 3.78Å; V538-E667 PolarHBondContact N-O 2.83Å; V538-I669 PolarHBondContact O-N 3.34Å
539	H	88.5	Confident	86.9	Confident	107 Å²	107	48.5 Å²	48.5	50%	0.495	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.7	175	-66.7	-108	0	0	0	109.3	I669 E671	H539-I669 WeakPolarHBondContact CA-O 3.36Å; H539-E671 IonicContact CE1-OE1 2.81Å; H539-E671 IonicContact CG-OE1 2.85Å; H539-E671 IonicContact ND1-OE1 3.53Å; H539-E671 PolarHBondContact ND1-OE1 3.44Å
540	I	87.8	Confident	87.4	Confident	14 Å²	14	51.9 Å²	51.9	7%	0.072	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.6	179.2	51.6	158	0	0	0	111.2	V538 I544 M547 I601 V668 I669 I670 E671	V538-I540 HydrophobicContact CG1-CG2 3.94Å; I540-I544 HydrophobicContact CD1-CG2 4.47Å; I540-I544 HydrophobicContact CG2-CD1 4.45Å; I540-M547 HydrophobicContact CD1-SD 3.82Å; I540-M547 HydrophobicContact CG1-SD 4.46Å; I540-M547 HydrophobicContact CG2-CG 4.23Å; I540-M547 HydrophobicContact CG2-SD 3.92Å; I540-I601 HydrophobicContact CD1-CD1 3.72Å; I540-I601 HydrophobicContact CD1-CG1 3.65Å; I540-I601 HydrophobicContact CD1-CG2 4.42Å; I540-V668 HydrophobicContact CD1-CG1 3.55Å; I540-V668 HydrophobicContact CG1-CG1 3.65Å; I540-I669 PolarHBondContact N-O 3.12Å; I540-I670 HydrophobicContact CD1-CG1 4.2Å; I540-I670 HydrophobicContact CG1-CG1 4.37Å; I540-I670 WeakPolarHBondContact O-CA 3.28Å; I540-E671 PolarHBondContact O-N 3.4Å
541	S	82.1	Confident	87.6	Confident	44 Å²	44	49.6 Å²	49.6	31%	0.308	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	140.9	169.5	-175.6	0	0	0	0	110.2	S543 I544	S541-S543 PolarHBondContact O-N 3.44Å; S541-S543 VanDerWaalsContact O-N 3.13Å; S541-S543 PolarHBondContact OG-OG 2.92Å; S541-I544 WeakPolarHBondContact O-CB 3.48Å; S541-I544 VanDerWaalsContact O-CG2 3.28Å; S541-I544 WeakPolarHBondContact O-CG2 3.28Å; S541-I544 PolarHBondContact O-N 3.44Å
542	E	83.1	Confident	87.5	Confident	35 Å²	35	51.6 Å²	51.6	16%	0.164	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-53.4	-30.2	172.7	72.7	-154.1	153.7	0	0	112.9	I544 I670 E671 S673	E542-I544 VanDerWaalsContact C-N 3.29Å; E542-I544 PolarHBondContact O-N 3.15Å; E542-I670 HydrophobicContact CB-CG2 3.98Å; E542-E671 PolarHBondContact N-O 3.34Å; E542-S673 WeakPolarHBondContact OE1-CB 3.29Å; E542-S673 PolarHBondContact OE1-N 2.93Å; E542-S673 PolarHBondContact OE1-OG 3.12Å
543	S	78.4	Confident	87.3	Confident	75 Å²	75	51.2 Å²	51.2	52%	0.524	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-80.4	1.9	-176.6	49.3	0	0	0	0	115.2	S541 G545 S673	S541-S543 PolarHBondContact O-N 3.44Å; S541-S543 VanDerWaalsContact O-N 3.13Å; S541-S543 PolarHBondContact OG-OG 2.92Å; S543-G545 VanDerWaalsContact C-N 3.28Å; S543-G545 PolarHBondContact O-N 3.45Å; S543-S673 PolarHBondContact OG-OG 3.2Å
544	I	81.9	Confident	86.8	Confident	85 Å²	85	54 Å²	54	44%	0.436	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-68.5	-26.7	-178.2	-161.6	167.5	0	0	0	112.9	I540 S541 E542 I546 I601	I540-I544 HydrophobicContact CD1-CG2 4.47Å; I540-I544 HydrophobicContact CG2-CD1 4.45Å; S541-I544 WeakPolarHBondContact O-CB 3.48Å; S541-I544 VanDerWaalsContact O-CG2 3.28Å; S541-I544 WeakPolarHBondContact O-CG2 3.28Å; S541-I544 PolarHBondContact O-N 3.44Å; E542-I544 VanDerWaalsContact C-N 3.29Å; E542-I544 PolarHBondContact O-N 3.15Å; I544-I546 PolarHBondContact O-N 3.18Å; I544-I601 HydrophobicContact CG2-CB 4.18Å; I544-I601 HydrophobicContact CG2-CG1 4.06Å
545	G	83.5	Confident	86.2	Confident	30 Å²	30	49.6 Å²	49.6	31%	0.309	29%	0.289	S	S	.	.	S	Bend	trans	71.6	-61.7	-179.7	0	0	0	0	0	114.1	S543 K600 I601	S543-G545 VanDerWaalsContact C-N 3.28Å; S543-G545 PolarHBondContact O-N 3.45Å; G545-K600 CarbonylContact O-C 3.37Å; G545-K600 WeakPolarHBondContact O-CA 3.34Å; G545-K600 WeakPolarHBondContact O-CG 3.21Å; G545-I601 PolarHBondContact O-N 2.96Å
546	I	87.9	Confident	85.6	Confident	102 Å²	102	48.1 Å²	48.1	52%	0.523	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.9	175.7	-56.9	173.8	0	0	0	108.5	I544 H598	I544-I546 PolarHBondContact O-N 3.18Å; I546-H598 HydrophobicContact CG2-CB 4.11Å
547	M	87.9	Confident	85.3	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.5	172.8	179	-174.7	57.6	0	0	109.7	I540 V549 H598 V599 I601 F613 V668	I540-M547 HydrophobicContact CD1-SD 3.82Å; I540-M547 HydrophobicContact CG1-SD 4.46Å; I540-M547 HydrophobicContact CG2-CG 4.23Å; I540-M547 HydrophobicContact CG2-SD 3.92Å; M547-V549 HydrophobicContact CE-CG2 3.59Å; M547-V549 HydrophobicContact CG-CG2 4.03Å; M547-V549 HydrophobicContact SD-CG2 3.88Å; M547-H598 WeakPolarHBondContact O-CA 3.1Å; M547-V599 HydrophobicContact CE-CB 3.83Å; M547-V599 HydrophobicContact CE-CG1 4.37Å; M547-V599 HydrophobicContact CE-CG2 4.13Å; M547-V599 PolarHBondContact N-O 3.36Å; M547-V599 PolarHBondContact O-N 3.12Å; M547-I601 HydrophobicContact CB-CG1 4.11Å; M547-I601 HydrophobicContact CE-CD1 4.5Å; M547-F613 HydrophobicContact CE-CE2 4.38Å; M547-F613 HydrophobicContact CE-CZ 3.72Å; M547-V668 HydrophobicContact CE-CG1 4.05Å; M547-V668 HydrophobicContact CE-CG2 3.98Å; M547-V668 HydrophobicContact SD-CG1 3.68Å; M547-V668 HydrophobicContact SD-CG2 4.17Å
548	E	90.6	Very high	84.6	Confident	127 Å²	127	50.1 Å²	50.1	59%	0.593	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.9	174.2	-53.3	-167.7	146.8	0	0	109.8	H598	E548-H598 IonicContact OE1-CE1 3.65Å; E548-H598 PolarHBondContact OE1-CE1 2.84Å; E548-H598 IonicContact OE1-ND1 3.85Å; E548-H598 PolarHBondContact OE1-ND1 3.1Å
549	V	91.3	Very high	84	Confident	12 Å²	12	48.7 Å²	48.7	7%	0.073	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.7	178.7	-178.1	0	0	0	0	109.6	F533 M547 F596 V597 L615 L666	F533-V549 HydrophobicContact CD1-CG1 3.7Å; F533-V549 HydrophobicContact CE1-CG1 3.7Å; M547-V549 HydrophobicContact CE-CG2 3.59Å; M547-V549 HydrophobicContact CG-CG2 4.03Å; M547-V549 HydrophobicContact SD-CG2 3.88Å; V549-F596 CarbonylContact O-C 3.58Å; V549-F596 WeakPolarHBondContact O-CA 3.44Å; V549-V597 HydrophobicContact CB-CB 4.38Å; V549-V597 PolarHBondContact N-O 2.7Å; V549-V597 PolarHBondContact O-N 3.29Å; V549-L615 HydrophobicContact CB-CD2 4.01Å; V549-L615 HydrophobicContact CG1-CD2 3.87Å; V549-L615 HydrophobicContact CG2-CD2 4.08Å; V549-L666 HydrophobicContact CB-CD2 4.43Å; V549-L666 HydrophobicContact CG1-CD2 3.47Å; V549-L666 VanDerWaalsContact CG1-CD2 3.47Å; V549-L666 HydrophobicContact CG2-CD2 4.04Å
550	K	91.1	Very high	83.8	Confident	71 Å²	71	44.9 Å²	44.9	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.2	179.7	-167.4	179.7	-177.6	-172.6	0	111.1	L552 C594 F596	K550-L552 HydrophobicContact CD-CD2 4.01Å; K550-L552 HydrophobicContact CG-CD2 4.24Å; K550-C594 HydrophobicContact CG-CB 4.28Å; K550-F596 HydrophobicContact CB-CD1 4.06Å; K550-F596 HydrophobicContact CB-CE1 3.87Å; K550-F596 HydrophobicContact CD-CE1 4.11Å; K550-F596 HydrophobicContact CD-CZ 4.33Å; K550-F596 HydrophobicContact CG-CD1 4.28Å; K550-F596 HydrophobicContact CG-CE1 3.82Å; K550-F596 HydrophobicContact CG-CZ 4.26Å
551	V	91.8	Very high	83.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.8	169.9	-178.5	0	0	0	0	108.3	F533 L586 F588 C594 K595 V597 L617	F533-V551 HydrophobicContact CD1-CG2 4.07Å; F533-V551 HydrophobicContact CE1-CG2 3.7Å; V551-L586 HydrophobicContact CB-CD1 3.96Å; V551-L586 HydrophobicContact CG1-CD1 4.26Å; V551-L586 HydrophobicContact CG2-CD1 3.66Å; V551-F588 HydrophobicContact CB-CZ 4.34Å; V551-F588 HydrophobicContact CG1-CE2 4.47Å; V551-F588 HydrophobicContact CG1-CZ 4.05Å; V551-C594 VanDerWaalsContact O-CA 3.3Å; V551-C594 WeakPolarHBondContact O-CA 3.46Å; V551-K595 PolarHBondContact N-O 3.42Å; V551-K595 PolarHBondContact O-N 3.4Å; V551-K595 VanDerWaalsContact O-N 3.09Å; V551-V597 HydrophobicContact CG2-CG2 4.17Å; V551-L617 HydrophobicContact CG1-CD1 3.94Å; V551-L617 HydrophobicContact CG1-CD2 4.43Å; V551-L617 HydrophobicContact CG2-CD2 4.1Å
552	L	88.8	Confident	84.2	Confident	41 Å²	41	43.4 Å²	43.4	22%	0.215	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.2	-177.3	-64.1	170.7	0	0	0	110.4	F531 T532 E534 K550 T554 C594	F531-L552 VanDerWaalsContact CA-O 3.31Å; F531-L552 WeakPolarHBondContact CA-O 3.29Å; T532-L552 HydrophobicContact CG2-CB 4.43Å; T532-L552 PolarHBondContact N-O 3.04Å; T532-L552 PolarHBondContact O-N 2.91Å; E534-L552 HydrophobicContact CB-CD1 4.05Å; E534-L552 HydrophobicContact CG-CD1 4.43Å; K550-L552 HydrophobicContact CD-CD2 4.01Å; K550-L552 HydrophobicContact CG-CD2 4.24Å; L552-T554 HydrophobicContact CB-CG2 4.31Å; L552-C594 HydrophobicContact CD2-CB 4.28Å
553	R	88	Confident	84.6	Confident	9 Å²	9	41.7 Å²	41.7	3%	0.034	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.4	166	-176.9	-171.9	-169.1	179.3	0.7	107.4	S528 I530 F531 G556 A557 R558 G559 F588 K589 E592 T593	S528-R553 PolarHBondContact O-NE 3.42Å; S528-R553 PolarHBondContact O-NH2 2.92Å; I530-R553 CarbonylContact O-C 3.55Å; I530-R553 WeakPolarHBondContact O-CA 3.39Å; F531-R553 HydrophobicContact CD1-CB 4.01Å; F531-R553 HydrophobicContact CD1-CG 4.19Å; F531-R553 HydrophobicContact CE1-CB 3.71Å; F531-R553 HydrophobicContact CE1-CG 3.58Å; F531-R553 HydrophobicContact CE2-CG 4.42Å; F531-R553 HydrophobicContact CZ-CB 4.36Å; F531-R553 HydrophobicContact CZ-CG 3.7Å; R553-G556 PolarHBondContact NE-O 3.11Å; R553-A557 VanDerWaalsContact CZ-C 3.46Å; R553-A557 PolarHBondContact NH1-O 3.4Å; R553-A557 VanDerWaalsContact NH1-O 3.13Å; R553-A557 PolarHBondContact NH2-O 2.98Å; R553-R558 PolarHBondContact NH2-O 2.92Å; R553-G559 PolarHBondContact NH1-O 3.49Å; R553-G559 PolarHBondContact NH2-O 3.45Å; R553-F588 HydrophobicContact CB-CD1 4.12Å; R553-F588 HydrophobicContact CB-CE1 3.96Å; R553-K589 PolarHBondContact NH1-O 2.87Å; R553-E592 WeakPolarHBondContact CD-O 3.42Å; R553-E592 PolarHBondContact NH1-O 3.27Å; R553-T593 PolarHBondContact N-O 2.93Å
554	T	80.7	Confident	85.3	Confident	60 Å²	60	39.6 Å²	39.6	37%	0.368	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	167	-172.8	53.4	0	0	0	0	110.5	G529 I530 L552 G556	G529-T554 CarbonylContact C-O 3.56Å; G529-T554 VanDerWaalsContact CA-O 3.22Å; G529-T554 WeakPolarHBondContact CA-O 3.43Å; I530-T554 PolarHBondContact N-O 3Å; I530-T554 PolarHBondContact O-N 3.34Å; I530-T554 PolarHBondContact O-OG1 3.31Å; L552-T554 HydrophobicContact CB-CG2 4.31Å; T554-G556 PolarHBondContact O-N 3.49Å
555	S	75.6	Confident	85.9	Confident	48 Å²	48	37.2 Å²	37.2	34%	0.336	20%	0.202	S	C	.	.	S	Bend	trans	67.6	-7.9	178.6	-164.8	0	0	0	0	116.7	H527	H527-S555 WeakPolarHBondContact CB-O 3.48Å
556	G	74.9	Confident	86.3	Confident	11 Å²	11	42.7 Å²	42.7	11%	0.113	21%	0.214	C	C	.	.			trans	158.5	157.8	173.3	0	0	0	0	0	113.1	H527 G529 R553 T554	H527-G556 CarbonylContact O-C 3.44Å; H527-G556 VanDerWaalsContact O-CA 3.3Å; H527-G556 WeakPolarHBondContact O-CA 3.42Å; G529-G556 WeakPolarHBondContact CA-O 3.35Å; G529-G556 PolarHBondContact N-O 3.16Å; R553-G556 PolarHBondContact NE-O 3.11Å; T554-G556 PolarHBondContact O-N 3.49Å
557	A	78.4	Confident	86.6	Confident	12 Å²	12	38.6 Å²	38.6	10%	0.099	19%	0.194	C	C	.	.			trans	-122.9	14.3	-174.9	0	0	0	0	0	113.9	H527 R553 D591 T593	H527-A557 PolarHBondContact O-N 2.94Å; R553-A557 VanDerWaalsContact CZ-C 3.46Å; R553-A557 PolarHBondContact NH1-O 3.4Å; R553-A557 VanDerWaalsContact NH1-O 3.13Å; R553-A557 PolarHBondContact NH2-O 2.98Å; A557-D591 PolarHBondContact O-N 3.19Å; A557-T593 HydrophobicContact CB-CG2 4.18Å
558	R	75.1	Confident	86.9	Confident	117 Å²	117	40.4 Å²	40.4	44%	0.442	21%	0.205	S	C	.	.			trans	-75.2	129.9	-173.7	-154.9	121.8	173.9	169	-7.1	112.1	D525 D526 H527 S528 R553	D525-R558 IonicContact OD1-NH1 2.68Å; D526-R558 IonicContact OD1-CZ 2.77Å; D526-R558 IonicContact OD1-NE 3.69Å; D526-R558 IonicContact OD1-NH1 3.58Å; D526-R558 PolarHBondContact OD1-NH1 3.38Å; D526-R558 IonicContact OD1-NH2 3.99Å; H527-R558 PolarHBondContact O-N 2.94Å; S528-R558 WeakPolarHBondContact CA-O 3.44Å; R553-R558 PolarHBondContact NH2-O 2.92Å
559	G	77.3	Confident	86.9	Confident	17 Å²	17	38.7 Å²	38.7	18%	0.175	20%	0.197	C	C	.	.	S	Bend	trans	79.3	165.8	178.1	0	0	0	0	0	115.1	R553 N590	R553-G559 PolarHBondContact NH1-O 3.49Å; R553-G559 PolarHBondContact NH2-O 3.45Å; G559-N590 PolarHBondContact N-OD1 3.36Å
560	T	84.4	Confident	86.7	Confident	27 Å²	27	39.4 Å²	39.4	17%	0.166	21%	0.207	C	C	.	.			trans	-91.8	123.6	-178.9	-54.3	0	0	0	0	110.9	E587 F588 M622 V623	T560-E587 HydrophobicContact CG2-CG 4.25Å; T560-F588 CarbonylContact C-O 3.57Å; T560-F588 VanDerWaalsContact CA-O 3.26Å; T560-F588 WeakPolarHBondContact CA-O 3.14Å; T560-F588 WeakPolarHBondContact CG2-O 2.92Å; T560-M622 WeakPolarHBondContact O-CA 3.23Å; T560-V623 HydrophobicContact CG2-CB 4.13Å; T560-V623 HydrophobicContact CG2-CG2 4.02Å; T560-V623 PolarHBondContact O-N 2.89Å
561	V	87.8	Confident	86.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.2	-176.3	-176	0	0	0	0	111.1	F531 V563 F588 P620 R621 P658	F531-V561 HydrophobicContact CD2-CG1 4.49Å; F531-V561 HydrophobicContact CE1-CG1 4.44Å; F531-V561 HydrophobicContact CE2-CB 4.11Å; F531-V561 HydrophobicContact CE2-CG1 3.53Å; F531-V561 HydrophobicContact CE2-CG2 4.35Å; F531-V561 HydrophobicContact CZ-CB 3.62Å; F531-V561 HydrophobicContact CZ-CG1 3.49Å; F531-V561 VanDerWaalsContact CZ-CG1 3.49Å; F531-V561 HydrophobicContact CZ-CG2 4.06Å; V561-V563 HydrophobicContact CG1-CG2 4.3Å; V561-F588 PolarHBondContact N-O 3.5Å; V561-F588 PolarHBondContact O-N 3.46Å; V561-P620 HydrophobicContact CG1-CB 3.74Å; V561-R621 CarbonylContact C-O 3.53Å; V561-R621 WeakPolarHBondContact CA-O 3.34Å; V561-P658 HydrophobicContact CG1-CB 3.97Å; V561-P658 HydrophobicContact CG1-CG 4.24Å; V561-P658 HydrophobicContact CG2-CB 4.21Å; V561-P658 HydrophobicContact CG2-CG 4.42Å
562	I	89.6	Confident	86.3	Confident	26 Å²	26	41.8 Å²	41.8	13%	0.133	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.4	175	-64.1	170.3	0	0	0	109.7	E585 L586 E587 P620 R621 V623	I562-E585 HydrophobicContact CG2-CB 3.82Å; I562-E585 HydrophobicContact CG2-CG 4.24Å; I562-L586 CarbonylContact C-O 3.56Å; I562-L586 VanDerWaalsContact CA-O 3.3Å; I562-L586 WeakPolarHBondContact CA-O 3.28Å; I562-E587 HydrophobicContact CG1-CG 4.45Å; I562-P620 WeakPolarHBondContact O-CA 3.08Å; I562-R621 HydrophobicContact CB-CG 3.82Å; I562-R621 HydrophobicContact CG2-CG 4.38Å; I562-R621 PolarHBondContact N-O 3.33Å; I562-R621 PolarHBondContact O-N 3.2Å; I562-V623 HydrophobicContact CB-CG2 4.49Å; I562-V623 HydrophobicContact CD1-CG2 3.38Å; I562-V623 HydrophobicContact CG1-CG2 3.5Å
563	V	91.6	Very high	86.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	107	178.7	-169.3	0	0	0	0	110.2	F531 V561 L586 F588 L617 P620	F531-V563 HydrophobicContact CB-CG2 4.35Å; F531-V563 HydrophobicContact CD1-CG2 3.53Å; F531-V563 HydrophobicContact CD2-CG2 4.12Å; F531-V563 HydrophobicContact CE1-CG2 3.76Å; F531-V563 HydrophobicContact CE2-CG2 4.36Å; F531-V563 HydrophobicContact CG-CG2 3.71Å; F531-V563 HydrophobicContact CZ-CG2 4.18Å; V561-V563 HydrophobicContact CG1-CG2 4.3Å; V563-L586 HydrophobicContact CB-CB 4.42Å; V563-L586 PolarHBondContact N-O 2.86Å; V563-L586 PolarHBondContact O-N 3.34Å; V563-F588 HydrophobicContact CG2-CD2 4.11Å; V563-F588 HydrophobicContact CG2-CE2 4.09Å; V563-L617 HydrophobicContact CG1-CB 4.34Å; V563-L617 HydrophobicContact CG1-CD2 4.18Å; V563-P620 HydrophobicContact CG2-CB 3.98Å
564	P	93.5	Very high	86.1	Confident	30 Å²	30	44.1 Å²	44.1	20%	0.195	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145.3	174.7	-12.9	27.7	0	0	0	111.9	G584 E585 A618	P564-G584 CarbonylContact C-O 3.46Å; P564-G584 WeakPolarHBondContact CA-O 3.3Å; P564-E585 HydrophobicContact CB-CG 4.19Å; P564-E585 HydrophobicContact CG-CG 4.38Å; P564-A618 HydrophobicContact CB-CB 3.99Å; P564-A618 HydrophobicContact CG-CB 4.23Å; P564-A618 PolarHBondContact O-N 3.25Å
565	Y	93.8	Very high	86.2	Confident	35 Å²	35	44.7 Å²	44.7	14%	0.137	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	155.9	175.6	72.2	-88.3	0	0	0	112.2	T582 G584 L586 V597 L615 E616	Y565-T582 HydrophobicContact CE2-CG2 3.86Å; Y565-G584 WeakPolarHBondContact CD1-O 3.4Å; Y565-G584 PolarHBondContact N-O 3.01Å; Y565-G584 PolarHBondContact O-N 2.74Å; Y565-G584 VanDerWaalsContact O-N 3.09Å; Y565-L586 HydrophobicContact CD1-CD1 4.25Å; Y565-L586 HydrophobicContact CD1-CD2 4.2Å; Y565-L586 HydrophobicContact CD1-CG 3.75Å; Y565-L586 HydrophobicContact CE1-CD2 3.83Å; Y565-L586 HydrophobicContact CE1-CG 3.9Å; Y565-V597 HydrophobicContact CD1-CG2 4.15Å; Y565-V597 HydrophobicContact CD2-CG1 3.77Å; Y565-V597 HydrophobicContact CD2-CG2 4.13Å; Y565-V597 HydrophobicContact CE1-CG2 4.12Å; Y565-V597 HydrophobicContact CE2-CB 4.37Å; Y565-V597 HydrophobicContact CE2-CG1 3.33Å; Y565-V597 HydrophobicContact CE2-CG2 4.12Å; Y565-V597 HydrophobicContact CG-CG2 4.14Å; Y565-L615 HydrophobicContact CD2-CD1 4.17Å; Y565-E616 VanDerWaalsContact CA-O 3.28Å; Y565-E616 WeakPolarHBondContact CA-O 3.35Å
566	R	93.3	Very high	86.5	Confident	145 Å²	145	44.1 Å²	44.1	55%	0.547	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.3	176	65.4	179.4	-175.2	-179.6	1	112.5	V568 E616	R566-V568 HydrophobicContact CG-CG2 4.37Å; R566-E616 HydrophobicContact CG-CB 4.38Å; R566-E616 IonicContact CZ-OE2 2.9Å; R566-E616 PolarHBondContact N-O 3.39Å; R566-E616 IonicContact NE-OE2 3.91Å; R566-E616 PolarHBondContact NE-OE2 3.26Å; R566-E616 IonicContact NH2-OE2 3.5Å; R566-E616 PolarHBondContact NH2-OE2 2.89Å; R566-E616 PolarHBondContact O-N 3.09Å
567	T	94.1	Very high	86.9	Confident	17 Å²	17	48.8 Å²	48.8	10%	0.104	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	146.8	166	53.1	0	0	0	0	111.3	F579 D581 T582 V599 F614 L615	T567-F579 HydrophobicContact CG2-CE2 4.32Å; T567-D581 WeakPolarHBondContact OG1-CA 3.45Å; T567-D581 PolarHBondContact OG1-OD1 3.47Å; T567-T582 PolarHBondContact N-O 2.77Å; T567-T582 PolarHBondContact OG1-N 3.31Å; T567-T582 PolarHBondContact OG1-O 3.3Å; T567-V599 HydrophobicContact CG2-CG1 4.42Å; T567-V599 HydrophobicContact CG2-CG2 4.31Å; T567-F614 CarbonylContact C-O 3.16Å; T567-F614 WeakPolarHBondContact CA-O 3.17Å; T567-L615 HydrophobicContact CG2-CD1 3.75Å
568	V	92.3	Very high	87.3	Confident	44 Å²	44	48.5 Å²	48.5	27%	0.267	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.7	177	179	0	0	0	0	108.9	R566 F614 E616	R566-V568 HydrophobicContact CG-CG2 4.37Å; V568-F614 HydrophobicContact CB-CB 4.26Å; V568-F614 PolarHBondContact N-O 3.33Å; V568-F614 PolarHBondContact O-N 3.07Å; V568-E616 HydrophobicContact CG2-CG 4.17Å
569	E	92.3	Very high	88	Confident	91 Å²	91	43 Å²	43	43%	0.425	25%	0.248	S	C	.	.			trans	-62	139.5	179	-63.6	-177.1	-172	0	0	112.3	K573 F579	E569-K573 IonicContact OE2-NZ 3.3Å; E569-K573 PolarHBondContact OE2-NZ 3.45Å; E569-F579 HydrophobicContact CG-CZ 4.35Å
570	G	87.3	Confident	88.6	Confident	27 Å²	27	46 Å²	46	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	-116.7	-119.7	170.7	0	0	0	0	0	110.4	A572 N612	G570-A572 PolarHBondContact N-O 3.38Å; G570-N612 CarbonylContact C-O 3.46Å; G570-N612 VanDerWaalsContact CA-O 3.27Å; G570-N612 WeakPolarHBondContact CA-O 3.45Å
571	L	85.7	Confident	88.9	Confident	121 Å²	121	48.2 Å²	48.2	63%	0.634	27%	0.269	S	S	*	.	S	Bend	trans	-76.6	-32.7	164.6	-67	172.1	0	0	0	111.9	N612	L571-N612 WeakPolarHBondContact CB-OD1 3.16Å; L571-N612 WeakPolarHBondContact CG-OD1 3.26Å; L571-N612 PolarHBondContact N-O 3.36Å; L571-N612 PolarHBondContact N-OD1 3.13Å; L571-N612 VanDerWaalsContact N-OD1 3.08Å
572	A	87	Confident	89	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-76.4	140.6	170.4	0	0	0	0	0	111.1	G570 D578 F579 K611 N612 F613 I670	G570-A572 PolarHBondContact N-O 3.38Å; A572-D578 VanDerWaalsContact CA-OD2 3.24Å; A572-D578 WeakPolarHBondContact CA-OD2 3.46Å; A572-D578 HydrophobicContact CB-CB 3.74Å; A572-F579 HydrophobicContact CB-CD1 4.15Å; A572-F579 HydrophobicContact CB-CE1 4.13Å; A572-K611 HydrophobicContact CB-CB 3.88Å; A572-K611 HydrophobicContact CB-CD 4.21Å; A572-N612 PolarHBondContact N-O 2.99Å; A572-F613 HydrophobicContact CB-CB 4.15Å; A572-F613 HydrophobicContact CB-CD1 4.4Å; A572-I670 HydrophobicContact CB-CD1 4.2Å
573	K	87.4	Confident	89.1	Confident	89 Å²	89	58 Å²	58	39%	0.387	31%	0.308	S	S	.	.			trans	-99.3	134.2	-176.7	-72.3	-75.8	150.3	-159.3	0	111.7	E569 E577 D578 F579	E569-K573 IonicContact OE2-NZ 3.3Å; E569-K573 PolarHBondContact OE2-NZ 3.45Å; K573-E577 HydrophobicContact CB-CB 4.1Å; K573-E577 HydrophobicContact CB-CG 4.27Å; K573-E577 WeakPolarHBondContact CB-OE2 3.24Å; K573-D578 PolarHBondContact N-OD2 3Å; K573-D578 WeakPolarHBondContact O-CB 3.45Å; K573-D578 PolarHBondContact O-N 3.47Å; K573-F579 PolarHBondContact O-N 3.18Å
574	G	85.8	Confident	89	Confident	9 Å²	9	59.2 Å²	59.2	9%	0.093	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-165.5	173.6	0	0	0	0	0	112.3	G576	G574-G576 VanDerWaalsContact C-N 3.28Å; G574-G576 PolarHBondContact O-N 2.92Å
575	G	84	Confident	88.9	Confident	72 Å²	72	62.8 Å²	62.8	74%	0.742	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	13.4	175.6	0	0	0	0	0	115.7	D581	G575-D581 PolarHBondContact N-OD2 3.5Å
576	G	79.9	Confident	88.8	Confident	37 Å²	37	61.9 Å²	61.9	38%	0.381	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	19.5	179.1	0	0	0	0	0	115	G574 F579 I602	G574-G576 VanDerWaalsContact C-N 3.28Å; G574-G576 PolarHBondContact O-N 2.92Å; G576-F579 PolarHBondContact N-O 2.95Å; G576-I602 VanDerWaalsContact CA-CD1 3.4Å; G576-I602 VanDerWaalsContact O-CD1 3.24Å; G576-I602 WeakPolarHBondContact O-CD1 3.48Å
577	E	84.1	Confident	88.6	Confident	108 Å²	108	60 Å²	60	51%	0.505	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-72.1	170.2	-170.2	170.2	-172.5	0	0	110	K573	K573-E577 HydrophobicContact CB-CB 4.1Å; K573-E577 HydrophobicContact CB-CG 4.27Å; K573-E577 WeakPolarHBondContact CB-OE2 3.24Å
578	D	86.1	Confident	88.4	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	33%	0.325	C	S	.	.	S	Bend	trans	-97.6	-36.6	177.3	-67.1	-61.2	0	0	0	112.9	A572 K573 I602 K611 I670	A572-D578 VanDerWaalsContact CA-OD2 3.24Å; A572-D578 WeakPolarHBondContact CA-OD2 3.46Å; A572-D578 HydrophobicContact CB-CB 3.74Å; K573-D578 PolarHBondContact N-OD2 3Å; K573-D578 WeakPolarHBondContact O-CB 3.45Å; K573-D578 PolarHBondContact O-N 3.47Å; D578-I602 PolarHBondContact O-N 3.49Å; D578-K611 VanDerWaalsContact CG-NZ 3.28Å; D578-K611 WeakPolarHBondContact OD1-CD 3.1Å; D578-K611 WeakPolarHBondContact OD1-CE 3.36Å; D578-K611 IonicContact OD1-NZ 2.78Å; D578-K611 PolarHBondContact OD1-NZ 3.32Å; D578-K611 WeakPolarHBondContact OD2-CD 2.92Å; D578-K611 IonicContact OD2-NZ 3.56Å; D578-K611 PolarHBondContact OD2-NZ 2.93Å; D578-I670 HydrophobicContact CB-CD1 4.42Å
579	F	90.1	Very high	88.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-147.6	158.9	177.7	67.3	-84.8	0	0	0	111.1	T567 E569 A572 K573 G576 D581 K600 I601 F613	T567-F579 HydrophobicContact CG2-CE2 4.32Å; E569-F579 HydrophobicContact CG-CZ 4.35Å; A572-F579 HydrophobicContact CB-CD1 4.15Å; A572-F579 HydrophobicContact CB-CE1 4.13Å; K573-F579 PolarHBondContact O-N 3.18Å; G576-F579 PolarHBondContact N-O 2.95Å; F579-D581 WeakPolarHBondContact CE2-OD1 3.47Å; F579-K600 WeakPolarHBondContact CA-O 3.29Å; F579-I601 HydrophobicContact CB-CD1 4.04Å; F579-F613 HydrophobicContact CD1-CB 4.1Å; F579-F613 AromaticContact CD1-CD1 3.95Å; F579-F613 HydrophobicContact CD1-CD1 3.95Å; F579-F613 HydrophobicContact CD1-CD2 4.33Å; F579-F613 HydrophobicContact CD1-CE1 4.44Å; F579-F613 AromaticContact CD1-CG 3.88Å; F579-F613 HydrophobicContact CD1-CG 3.88Å; F579-F613 HydrophobicContact CD2-CD2 4.37Å; F579-F613 HydrophobicContact CD2-CE2 4.47Å; F579-F613 HydrophobicContact CE1-CB 3.52Å; F579-F613 HydrophobicContact CE1-CD1 4.26Å; F579-F613 HydrophobicContact CE1-CD2 4.2Å; F579-F613 AromaticContact CE1-CG 3.75Å; F579-F613 HydrophobicContact CE1-CG 3.75Å; F579-F613 HydrophobicContact CE2-CD2 4.25Å; F579-F613 HydrophobicContact CG-CD1 4.42Å; F579-F613 HydrophobicContact CG-CD2 4.42Å; F579-F613 HydrophobicContact CG-CG 4.37Å; F579-F613 HydrophobicContact CZ-CB 3.95Å; F579-F613 HydrophobicContact CZ-CD2 4.16Å; F579-F613 HydrophobicContact CZ-CG 4.15Å
580	E	91	Very high	87.5	Confident	80 Å²	80	61.8 Å²	61.8	37%	0.374	34%	0.335	S	S	.	.			trans	-88.3	124.5	171.2	-68	-175.2	-172.3	0	0	110.5	T582 K600 I602	E580-T582 PolarHBondContact O-N 3.14Å; E580-T582 PolarHBondContact O-OG1 2.82Å; E580-T582 VanDerWaalsContact O-OG1 3.1Å; E580-K600 HydrophobicContact CB-CB 4.26Å; E580-K600 HydrophobicContact CG-CB 4.37Å; E580-K600 HydrophobicContact CG-CD 4.46Å; E580-K600 PolarHBondContact N-O 3.49Å; E580-K600 WeakPolarHBondContact OE1-CE 3.4Å; E580-K600 IonicContact OE1-NZ 3.76Å; E580-K600 PolarHBondContact OE1-NZ 3.45Å; E580-I602 HydrophobicContact CG-CD1 4.11Å
581	D	90.7	Very high	87.2	Confident	75 Å²	75	65.7 Å²	65.7	40%	0.401	35%	0.349	S	S	.	.			trans	-59.7	124.9	179	-68.9	-62.3	0	0	0	111.5	T567 G575 F579	T567-D581 WeakPolarHBondContact OG1-CA 3.45Å; T567-D581 PolarHBondContact OG1-OD1 3.47Å; G575-D581 PolarHBondContact N-OD2 3.5Å; F579-D581 WeakPolarHBondContact CE2-OD1 3.47Å
582	T	89.6	Confident	87.1	Confident	29 Å²	29	62.5 Å²	62.5	18%	0.178	33%	0.331	C	S	.	.			trans	-121.4	128.6	-176.9	-48.8	0	0	0	0	109.9	Y565 T567 E580	Y565-T582 HydrophobicContact CE2-CG2 3.86Å; T567-T582 PolarHBondContact N-O 2.77Å; T567-T582 PolarHBondContact OG1-N 3.31Å; T567-T582 PolarHBondContact OG1-O 3.3Å; E580-T582 PolarHBondContact O-N 3.14Å; E580-T582 PolarHBondContact O-OG1 2.82Å; E580-T582 VanDerWaalsContact O-OG1 3.1Å
583	Y	91.8	Very high	86.8	Confident	202 Å²	202	66.3 Å²	66.3	79%	0.792	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.5	174.6	60.1	-90.4	0	0	0	109.9
584	G	90.3	Very high	86.9	Confident	25 Å²	25	64.1 Å²	64.1	26%	0.258	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-177.4	-177.7	0	0	0	0	0	114.1	P564 Y565	P564-G584 CarbonylContact C-O 3.46Å; P564-G584 WeakPolarHBondContact CA-O 3.3Å; Y565-G584 WeakPolarHBondContact CD1-O 3.4Å; Y565-G584 PolarHBondContact N-O 3.01Å; Y565-G584 PolarHBondContact O-N 2.74Å; Y565-G584 VanDerWaalsContact O-N 3.09Å
585	E	91.3	Very high	87.1	Confident	106 Å²	106	66.5 Å²	66.5	50%	0.495	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.9	174.7	-65.2	-174.5	169.5	0	0	108.9	I562 P564 R621	I562-E585 HydrophobicContact CG2-CB 3.82Å; I562-E585 HydrophobicContact CG2-CG 4.24Å; P564-E585 HydrophobicContact CB-CG 4.19Å; P564-E585 HydrophobicContact CG-CG 4.38Å; E585-R621 IonicContact OE1-CZ 3.4Å; E585-R621 IonicContact OE1-NH1 3.64Å; E585-R621 IonicContact OE1-NH2 3.92Å; E585-R621 PolarHBondContact OE1-NH2 2.78Å; E585-R621 IonicContact OE2-CZ 3Å; E585-R621 IonicContact OE2-NH2 3.62Å; E585-R621 PolarHBondContact OE2-NH2 3.26Å
586	L	90.7	Very high	87.4	Confident	15 Å²	15	67.9 Å²	67.9	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.2	174.3	-62	174.2	0	0	0	109	V551 I562 V563 Y565 F588 K595 V597	V551-L586 HydrophobicContact CB-CD1 3.96Å; V551-L586 HydrophobicContact CG1-CD1 4.26Å; V551-L586 HydrophobicContact CG2-CD1 3.66Å; I562-L586 CarbonylContact C-O 3.56Å; I562-L586 VanDerWaalsContact CA-O 3.3Å; I562-L586 WeakPolarHBondContact CA-O 3.28Å; V563-L586 HydrophobicContact CB-CB 4.42Å; V563-L586 PolarHBondContact N-O 2.86Å; V563-L586 PolarHBondContact O-N 3.34Å; Y565-L586 HydrophobicContact CD1-CD1 4.25Å; Y565-L586 HydrophobicContact CD1-CD2 4.2Å; Y565-L586 HydrophobicContact CD1-CG 3.75Å; Y565-L586 HydrophobicContact CE1-CD2 3.83Å; Y565-L586 HydrophobicContact CE1-CG 3.9Å; L586-F588 HydrophobicContact CB-CD2 4.26Å; L586-F588 HydrophobicContact CB-CE2 3.84Å; L586-F588 HydrophobicContact CD1-CE2 4.31Å; L586-K595 HydrophobicContact CD1-CB 4.32Å; L586-K595 HydrophobicContact CD2-CB 4.16Å; L586-V597 HydrophobicContact CD1-CG2 3.9Å; L586-V597 HydrophobicContact CD2-CG2 4.15Å; L586-V597 HydrophobicContact CG-CG2 4.43Å
587	E	90.4	Very high	88	Confident	106 Å²	106	66.1 Å²	66.1	50%	0.495	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.6	173.1	-173.3	-176.7	-178	0	0	109.4	T560 I562 K595	T560-E587 HydrophobicContact CG2-CG 4.25Å; I562-E587 HydrophobicContact CG1-CG 4.45Å; E587-K595 WeakPolarHBondContact O-CE 3.2Å; E587-K595 PolarHBondContact O-NZ 2.85Å; E587-K595 VanDerWaalsContact O-NZ 3.13Å
588	F	88.9	Confident	88.4	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.1	171.5	-73.2	-101.6	0	0	0	109.1	F531 V551 R553 T560 V561 V563 L586 E592 K595	F531-F588 HydrophobicContact CD1-CD2 4.15Å; F531-F588 HydrophobicContact CD1-CE1 4.45Å; F531-F588 AromaticContact CD1-CE2 3.86Å; F531-F588 HydrophobicContact CD1-CE2 3.86Å; F531-F588 HydrophobicContact CD1-CZ 4.03Å; F531-F588 HydrophobicContact CE1-CB 4.27Å; F531-F588 AromaticContact CE1-CD1 3.99Å; F531-F588 HydrophobicContact CE1-CD1 3.99Å; F531-F588 AromaticContact CE1-CD2 3.56Å; F531-F588 HydrophobicContact CE1-CD2 3.56Å; F531-F588 HydrophobicContact CE1-CE1 4.15Å; F531-F588 AromaticContact CE1-CE2 3.75Å; F531-F588 HydrophobicContact CE1-CE2 3.75Å; F531-F588 AromaticContact CE1-CG 3.69Å; F531-F588 HydrophobicContact CE1-CG 3.69Å; F531-F588 HydrophobicContact CE1-CZ 4.04Å; V551-F588 HydrophobicContact CB-CZ 4.34Å; V551-F588 HydrophobicContact CG1-CE2 4.47Å; V551-F588 HydrophobicContact CG1-CZ 4.05Å; R553-F588 HydrophobicContact CB-CD1 4.12Å; R553-F588 HydrophobicContact CB-CE1 3.96Å; T560-F588 CarbonylContact C-O 3.57Å; T560-F588 VanDerWaalsContact CA-O 3.26Å; T560-F588 WeakPolarHBondContact CA-O 3.14Å; T560-F588 WeakPolarHBondContact CG2-O 2.92Å; V561-F588 PolarHBondContact N-O 3.5Å; V561-F588 PolarHBondContact O-N 3.46Å; V563-F588 HydrophobicContact CG2-CD2 4.11Å; V563-F588 HydrophobicContact CG2-CE2 4.09Å; L586-F588 HydrophobicContact CB-CD2 4.26Å; L586-F588 HydrophobicContact CB-CE2 3.84Å; L586-F588 HydrophobicContact CD1-CE2 4.31Å; F588-E592 WeakPolarHBondContact CA-OE2 3.37Å; F588-E592 HydrophobicContact CD1-CB 4.4Å; F588-K595 HydrophobicContact CD1-CG 4.06Å; F588-K595 HydrophobicContact CD2-CG 4.23Å; F588-K595 HydrophobicContact CE1-CB 4.15Å; F588-K595 HydrophobicContact CE1-CG 3.77Å; F588-K595 HydrophobicContact CE2-CB 4.17Å; F588-K595 HydrophobicContact CE2-CG 3.93Å; F588-K595 HydrophobicContact CG-CG 4.29Å; F588-K595 HydrophobicContact CZ-CB 3.74Å; F588-K595 HydrophobicContact CZ-CG 3.69Å
589	K	85.8	Confident	88.6	Confident	113 Å²	113	65.3 Å²	65.3	49%	0.491	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-79.1	173.8	173.5	-60.7	-179.7	178.9	176.4	0	111.1	R553 D591 E592	R553-K589 PolarHBondContact NH1-O 2.87Å; K589-D591 PolarHBondContact O-N 3.35Å; K589-E592 HydrophobicContact CB-CG 3.96Å; K589-E592 PolarHBondContact N-OE2 3.3Å; K589-E592 WeakPolarHBondContact O-CB 3.24Å; K589-E592 PolarHBondContact O-N 3.36Å
590	N	80.9	Confident	88.6	Confident	77 Å²	77	69.9 Å²	69.9	41%	0.412	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	136	168.2	-158	76.2	0	0	0	109.7	G559 E592	G559-N590 PolarHBondContact N-OD1 3.36Å; N590-E592 PolarHBondContact O-N 2.93Å; N590-E592 VanDerWaalsContact O-N 3.14Å
591	D	79.4	Confident	88.6	Confident	109 Å²	109	66.3 Å²	66.3	58%	0.583	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	4.7	-179.9	-45	-42.7	0	0	0	115.5	A557 K589	A557-D591 PolarHBondContact O-N 3.19Å; K589-D591 PolarHBondContact O-N 3.35Å
592	E	83.2	Confident	88.4	Confident	54 Å²	54	64.8 Å²	64.8	25%	0.252	32%	0.316	S	S	.	.			trans	-84.5	119.3	171.9	-71.6	-175	166.2	0	0	110.9	R553 F588 K589 N590 K595	R553-E592 WeakPolarHBondContact CD-O 3.42Å; R553-E592 PolarHBondContact NH1-O 3.27Å; F588-E592 WeakPolarHBondContact CA-OE2 3.37Å; F588-E592 HydrophobicContact CD1-CB 4.4Å; K589-E592 HydrophobicContact CB-CG 3.96Å; K589-E592 PolarHBondContact N-OE2 3.3Å; K589-E592 WeakPolarHBondContact O-CB 3.24Å; K589-E592 PolarHBondContact O-N 3.36Å; N590-E592 PolarHBondContact O-N 2.93Å; N590-E592 VanDerWaalsContact O-N 3.14Å; E592-K595 IonicContact OE1-NZ 3.79Å; E592-K595 PolarHBondContact OE1-NZ 3.42Å; E592-K595 WeakPolarHBondContact OE2-CE 3.49Å; E592-K595 IonicContact OE2-NZ 3.65Å; E592-K595 PolarHBondContact OE2-NZ 3.46Å
593	T	82.2	Confident	87.9	Confident	79 Å²	79	67.2 Å²	67.2	49%	0.485	33%	0.328	S	S	.	.			trans	-103.4	-13.4	-176.2	56.1	0	0	0	0	114.5	R553 A557	R553-T593 PolarHBondContact N-O 2.93Å; A557-T593 HydrophobicContact CB-CG2 4.18Å
594	C	88	Confident	86.8	Confident	44 Å²	44	59.7 Å²	59.7	30%	0.297	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.2	176.7	64.6	0	0	0	0	113.9	K550 V551 L552	K550-C594 HydrophobicContact CG-CB 4.28Å; V551-C594 VanDerWaalsContact O-CA 3.3Å; V551-C594 WeakPolarHBondContact O-CA 3.46Å; L552-C594 HydrophobicContact CD2-CB 4.28Å
595	K	91.1	Very high	85.4	Confident	58 Å²	58	63.4 Å²	63.4	25%	0.252	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.7	171.1	-72	-77.5	168.7	163	0	110	V551 L586 E587 F588 E592	V551-K595 PolarHBondContact N-O 3.42Å; V551-K595 PolarHBondContact O-N 3.4Å; V551-K595 VanDerWaalsContact O-N 3.09Å; L586-K595 HydrophobicContact CD1-CB 4.32Å; L586-K595 HydrophobicContact CD2-CB 4.16Å; E587-K595 WeakPolarHBondContact O-CE 3.2Å; E587-K595 PolarHBondContact O-NZ 2.85Å; E587-K595 VanDerWaalsContact O-NZ 3.13Å; F588-K595 HydrophobicContact CD1-CG 4.06Å; F588-K595 HydrophobicContact CD2-CG 4.23Å; F588-K595 HydrophobicContact CE1-CB 4.15Å; F588-K595 HydrophobicContact CE1-CG 3.77Å; F588-K595 HydrophobicContact CE2-CB 4.17Å; F588-K595 HydrophobicContact CE2-CG 3.93Å; F588-K595 HydrophobicContact CG-CG 4.29Å; F588-K595 HydrophobicContact CZ-CB 3.74Å; F588-K595 HydrophobicContact CZ-CG 3.69Å; E592-K595 IonicContact OE1-NZ 3.79Å; E592-K595 PolarHBondContact OE1-NZ 3.42Å; E592-K595 WeakPolarHBondContact OE2-CE 3.49Å; E592-K595 IonicContact OE2-NZ 3.65Å; E592-K595 PolarHBondContact OE2-NZ 3.46Å
596	F	90.8	Very high	83.9	Confident	102 Å²	102	64.5 Å²	64.5	45%	0.447	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.5	178.9	-61.9	-86.5	0	0	0	111.1	V549 K550	V549-F596 CarbonylContact O-C 3.58Å; V549-F596 WeakPolarHBondContact O-CA 3.44Å; K550-F596 HydrophobicContact CB-CD1 4.06Å; K550-F596 HydrophobicContact CB-CE1 3.87Å; K550-F596 HydrophobicContact CD-CE1 4.11Å; K550-F596 HydrophobicContact CD-CZ 4.33Å; K550-F596 HydrophobicContact CG-CD1 4.28Å; K550-F596 HydrophobicContact CG-CE1 3.82Å; K550-F596 HydrophobicContact CG-CZ 4.26Å
597	V	92	Very high	82.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.9	168.9	176.9	0	0	0	0	107.6	V549 V551 Y565 L586 V599 L615	V549-V597 HydrophobicContact CB-CB 4.38Å; V549-V597 PolarHBondContact N-O 2.7Å; V549-V597 PolarHBondContact O-N 3.29Å; V551-V597 HydrophobicContact CG2-CG2 4.17Å; Y565-V597 HydrophobicContact CD1-CG2 4.15Å; Y565-V597 HydrophobicContact CD2-CG1 3.77Å; Y565-V597 HydrophobicContact CD2-CG2 4.13Å; Y565-V597 HydrophobicContact CE1-CG2 4.12Å; Y565-V597 HydrophobicContact CE2-CB 4.37Å; Y565-V597 HydrophobicContact CE2-CG1 3.33Å; Y565-V597 HydrophobicContact CE2-CG2 4.12Å; Y565-V597 HydrophobicContact CG-CG2 4.14Å; L586-V597 HydrophobicContact CD1-CG2 3.9Å; L586-V597 HydrophobicContact CD2-CG2 4.15Å; L586-V597 HydrophobicContact CG-CG2 4.43Å; V597-V599 HydrophobicContact CG1-CG2 4.08Å; V597-L615 HydrophobicContact CB-CD2 4.42Å; V597-L615 HydrophobicContact CG1-CD1 4.4Å; V597-L615 HydrophobicContact CG1-CD2 4.18Å
598	H	91.6	Very high	80.9	Confident	98 Å²	98	69.7 Å²	69.7	45%	0.454	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.4	176.7	-58.6	-78.3	0	0	0	109.4	I546 M547 E548	I546-H598 HydrophobicContact CG2-CB 4.11Å; M547-H598 WeakPolarHBondContact O-CA 3.1Å; E548-H598 IonicContact OE1-CE1 3.65Å; E548-H598 PolarHBondContact OE1-CE1 2.84Å; E548-H598 IonicContact OE1-ND1 3.85Å; E548-H598 PolarHBondContact OE1-ND1 3.1Å
599	V	91.9	Very high	79.7	Confident	0 Å²	0	78 Å²	78	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.7	174.6	-177.3	0	0	0	0	108.1	M547 T567 V597 I601 F613 L615	M547-V599 HydrophobicContact CE-CB 3.83Å; M547-V599 HydrophobicContact CE-CG1 4.37Å; M547-V599 HydrophobicContact CE-CG2 4.13Å; M547-V599 PolarHBondContact N-O 3.36Å; M547-V599 PolarHBondContact O-N 3.12Å; T567-V599 HydrophobicContact CG2-CG1 4.42Å; T567-V599 HydrophobicContact CG2-CG2 4.31Å; V597-V599 HydrophobicContact CG1-CG2 4.08Å; V599-I601 HydrophobicContact CG1-CD1 4.3Å; V599-F613 HydrophobicContact CG1-CE2 4.26Å; V599-F613 HydrophobicContact CG1-CZ 4.19Å; V599-L615 HydrophobicContact CG2-CD1 4.49Å
600	K	90.3	Very high	79.2	Confident	96 Å²	96	77.1 Å²	77.1	42%	0.417	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.9	178.9	-173.4	173.1	162.8	-150.2	0	110.2	G545 F579 E580	G545-K600 CarbonylContact O-C 3.37Å; G545-K600 WeakPolarHBondContact O-CA 3.34Å; G545-K600 WeakPolarHBondContact O-CG 3.21Å; F579-K600 WeakPolarHBondContact CA-O 3.29Å; E580-K600 HydrophobicContact CB-CB 4.26Å; E580-K600 HydrophobicContact CG-CB 4.37Å; E580-K600 HydrophobicContact CG-CD 4.46Å; E580-K600 PolarHBondContact N-O 3.49Å; E580-K600 WeakPolarHBondContact OE1-CE 3.4Å; E580-K600 IonicContact OE1-NZ 3.76Å; E580-K600 PolarHBondContact OE1-NZ 3.45Å
601	I	90.4	Very high	79.5	Confident	5 Å²	5	74.1 Å²	74.1	3%	0.026	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-101	134.9	177.8	-52.5	-62.3	0	0	0	107.8	I540 I544 G545 M547 F579 V599 F613 I670	I540-I601 HydrophobicContact CD1-CD1 3.72Å; I540-I601 HydrophobicContact CD1-CG1 3.65Å; I540-I601 HydrophobicContact CD1-CG2 4.42Å; I544-I601 HydrophobicContact CG2-CB 4.18Å; I544-I601 HydrophobicContact CG2-CG1 4.06Å; G545-I601 PolarHBondContact O-N 2.96Å; M547-I601 HydrophobicContact CB-CG1 4.11Å; M547-I601 HydrophobicContact CE-CD1 4.5Å; F579-I601 HydrophobicContact CB-CD1 4.04Å; V599-I601 HydrophobicContact CG1-CD1 4.3Å; I601-F613 HydrophobicContact CD1-CE1 3.76Å; I601-F613 HydrophobicContact CD1-CZ 3.79Å; I601-I670 HydrophobicContact CG2-CD1 4.36Å
602	I	85.6	Confident	80.1	Confident	43 Å²	43	70.3 Å²	70.3	22%	0.221	34%	0.335	C	S	.	.			trans	-106.2	132.6	-177.4	-63.1	173.6	0	0	0	108.3	G576 D578 E580	G576-I602 VanDerWaalsContact CA-CD1 3.4Å; G576-I602 VanDerWaalsContact O-CD1 3.24Å; G576-I602 WeakPolarHBondContact O-CD1 3.48Å; D578-I602 PolarHBondContact O-N 3.49Å; E580-I602 HydrophobicContact CG-CD1 4.11Å
603	D	80	Confident	80.6	Confident	80 Å²	80	67.8 Å²	67.8	43%	0.428	32%	0.323	S	S	.	.			trans	-86.3	104.9	169.4	-175.7	-12.1	0	0	0	107.5	E605	D603-E605 VanDerWaalsContact C-N 3.34Å; D603-E605 PolarHBondContact OD1-N 2.97Å
604	D	68.7	Low	81.1	Confident	44 Å²	44	65.6 Å²	65.6	24%	0.235	31%	0.307	C	S	.	.			trans	-88.8	3.5	-175.6	65	-1.7	0	0	0	113.4	E606 K611	D604-E606 PolarHBondContact O-N 2.67Å; D604-K611 IonicContact OD2-NZ 2.7Å; D604-K611 PolarHBondContact OD2-NZ 2.99Å
605	E	60.8	Low	81.3	Confident	103 Å²	103	63.5 Å²	63.5	48%	0.481	29%	0.293	S	S	.	.			trans	47.1	20	-177.1	-56.9	-170.1	155.6	0	0	115	K324 D603	K324-E605 WeakPolarHBondContact CE-OE2 3.47Å; K324-E605 VanDerWaalsContact NZ-CB 3.27Å; K324-E605 PolarHBondContact NZ-O 3.01Å; K324-E605 IonicContact NZ-OE2 3.27Å; K324-E605 PolarHBondContact NZ-OE2 3.37Å; K324-E605 VanDerWaalsContact NZ-OE2 3.08Å; D603-E605 VanDerWaalsContact C-N 3.34Å; D603-E605 PolarHBondContact OD1-N 2.97Å
606	E	58.5	Low	81.4	Confident	129 Å²	129	62.6 Å²	62.6	60%	0.603	29%	0.289	S	S	*	.	S	Bend	trans	-99.6	146.9	175.9	-74.1	-157.5	175.7	0	0	111.1	D604 E608	D604-E606 PolarHBondContact O-N 2.67Å; E606-E608 HydrophobicContact CB-CG 4.07Å; E606-E608 PolarHBondContact O-N 2.76Å
607	Y	57.5	Low	81.5	Confident	161 Å²	161	58.4 Å²	58.4	63%	0.631	27%	0.271	S	S	*	.			trans	-81.7	90.3	-178.7	-176.7	-101.2	0	0	0	109.6	E672	Y607-E672 WeakPolarHBondContact CE2-OE1 3.34Å
608	E	60.7	Low	81.4	Confident	69 Å²	69	60.6 Å²	60.6	32%	0.322	29%	0.289	S	S	.	.			trans	-112.9	133.2	-172.2	-71.5	-93.7	-157.8	0	0	110.1	E606 K611	E606-E608 HydrophobicContact CB-CG 4.07Å; E606-E608 PolarHBondContact O-N 2.76Å; E608-K611 HydrophobicContact CB-CD 4.4Å; E608-K611 VanDerWaalsContact CG-CE 3.48Å; E608-K611 WeakPolarHBondContact OE1-CE 3.34Å; E608-K611 IonicContact OE1-NZ 2.92Å; E608-K611 PolarHBondContact OE1-NZ 2.92Å; E608-K611 WeakPolarHBondContact OE2-CE 3.24Å; E608-K611 IonicContact OE2-NZ 3.37Å; E608-K611 PolarHBondContact OE2-NZ 3.41Å
609	K	63.9	Low	81.1	Confident	174 Å²	174	63.8 Å²	63.8	76%	0.757	31%	0.305	S	S	*	.			trans	-66.8	156.2	170.8	-68.9	179.8	179.6	179.2	0	109	K611	K609-K611 WeakPolarHBondContact O-CG 3.41Å; K609-K611 PolarHBondContact O-N 3.5Å
610	N	75.9	Confident	80.9	Confident	94 Å²	94	64.7 Å²	64.7	50%	0.503	31%	0.311	S	S	.	.			trans	-32.5	104.4	175	-61.5	22.9	0	0	0	112.1	I669 I670	N610-I669 HydrophobicContact CB-CG2 4.18Å; N610-I670 WeakPolarHBondContact CA-O 3.29Å
611	K	86.4	Confident	80.7	Confident	15 Å²	15	66 Å²	66	7%	0.065	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	153.9	176.7	-67.4	-177.3	176.1	170.2	0	108.9	A572 D578 D604 E608 K609 I669 I670	A572-K611 HydrophobicContact CB-CB 3.88Å; A572-K611 HydrophobicContact CB-CD 4.21Å; D578-K611 VanDerWaalsContact CG-NZ 3.28Å; D578-K611 WeakPolarHBondContact OD1-CD 3.1Å; D578-K611 WeakPolarHBondContact OD1-CE 3.36Å; D578-K611 IonicContact OD1-NZ 2.78Å; D578-K611 PolarHBondContact OD1-NZ 3.32Å; D578-K611 WeakPolarHBondContact OD2-CD 2.92Å; D578-K611 IonicContact OD2-NZ 3.56Å; D578-K611 PolarHBondContact OD2-NZ 2.93Å; D604-K611 IonicContact OD2-NZ 2.7Å; D604-K611 PolarHBondContact OD2-NZ 2.99Å; E608-K611 HydrophobicContact CB-CD 4.4Å; E608-K611 VanDerWaalsContact CG-CE 3.48Å; E608-K611 WeakPolarHBondContact OE1-CE 3.34Å; E608-K611 IonicContact OE1-NZ 2.92Å; E608-K611 PolarHBondContact OE1-NZ 2.92Å; E608-K611 WeakPolarHBondContact OE2-CE 3.24Å; E608-K611 IonicContact OE2-NZ 3.37Å; E608-K611 PolarHBondContact OE2-NZ 3.41Å; K609-K611 WeakPolarHBondContact O-CG 3.41Å; K609-K611 PolarHBondContact O-N 3.5Å; K611-I669 CarbonylContact O-C 3.55Å; K611-I669 WeakPolarHBondContact O-CA 3.46Å; K611-I670 PolarHBondContact N-O 3.48Å; K611-I670 PolarHBondContact O-N 3.47Å
612	N	91.7	Very high	80	Confident	29 Å²	29	69.3 Å²	69.3	16%	0.155	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.8	174.2	66.6	-2.8	0	0	0	112.5	G570 L571 A572 E667 V668 I669	G570-N612 CarbonylContact C-O 3.46Å; G570-N612 VanDerWaalsContact CA-O 3.27Å; G570-N612 WeakPolarHBondContact CA-O 3.45Å; L571-N612 WeakPolarHBondContact CB-OD1 3.16Å; L571-N612 WeakPolarHBondContact CG-OD1 3.26Å; L571-N612 PolarHBondContact N-O 3.36Å; L571-N612 PolarHBondContact N-OD1 3.13Å; L571-N612 VanDerWaalsContact N-OD1 3.08Å; A572-N612 PolarHBondContact N-O 2.99Å; N612-E667 HydrophobicContact CB-CG 4.29Å; N612-E667 PolarHBondContact ND2-OE1 3.32Å; N612-V668 CarbonylContact C-O 3.19Å; N612-V668 WeakPolarHBondContact CA-O 3.32Å; N612-I669 HydrophobicContact CB-CG1 4.32Å
613	F	93.7	Very high	79.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	172.8	166.2	72.6	-84.7	0	0	0	109.7	M547 A572 F579 V599 I601 V668 I670	M547-F613 HydrophobicContact CE-CE2 4.38Å; M547-F613 HydrophobicContact CE-CZ 3.72Å; A572-F613 HydrophobicContact CB-CB 4.15Å; A572-F613 HydrophobicContact CB-CD1 4.4Å; F579-F613 HydrophobicContact CD1-CB 4.1Å; F579-F613 AromaticContact CD1-CD1 3.95Å; F579-F613 HydrophobicContact CD1-CD1 3.95Å; F579-F613 HydrophobicContact CD1-CD2 4.33Å; F579-F613 HydrophobicContact CD1-CE1 4.44Å; F579-F613 AromaticContact CD1-CG 3.88Å; F579-F613 HydrophobicContact CD1-CG 3.88Å; F579-F613 HydrophobicContact CD2-CD2 4.37Å; F579-F613 HydrophobicContact CD2-CE2 4.47Å; F579-F613 HydrophobicContact CE1-CB 3.52Å; F579-F613 HydrophobicContact CE1-CD1 4.26Å; F579-F613 HydrophobicContact CE1-CD2 4.2Å; F579-F613 AromaticContact CE1-CG 3.75Å; F579-F613 HydrophobicContact CE1-CG 3.75Å; F579-F613 HydrophobicContact CE2-CD2 4.25Å; F579-F613 HydrophobicContact CG-CD1 4.42Å; F579-F613 HydrophobicContact CG-CD2 4.42Å; F579-F613 HydrophobicContact CG-CG 4.37Å; F579-F613 HydrophobicContact CZ-CB 3.95Å; F579-F613 HydrophobicContact CZ-CD2 4.16Å; F579-F613 HydrophobicContact CZ-CG 4.15Å; V599-F613 HydrophobicContact CG1-CE2 4.26Å; V599-F613 HydrophobicContact CG1-CZ 4.19Å; I601-F613 HydrophobicContact CD1-CE1 3.76Å; I601-F613 HydrophobicContact CD1-CZ 3.79Å; F613-V668 HydrophobicContact CD1-CB 3.9Å; F613-V668 HydrophobicContact CD1-CG1 4.13Å; F613-V668 HydrophobicContact CD2-CB 4.43Å; F613-V668 HydrophobicContact CE1-CB 3.5Å; F613-V668 HydrophobicContact CE1-CG1 3.35Å; F613-V668 HydrophobicContact CE1-CG2 4.27Å; F613-V668 HydrophobicContact CE2-CB 4.08Å; F613-V668 HydrophobicContact CE2-CG2 4.01Å; F613-V668 HydrophobicContact CG-CB 4.35Å; F613-V668 HydrophobicContact CZ-CB 3.61Å; F613-V668 HydrophobicContact CZ-CG1 3.59Å; F613-V668 HydrophobicContact CZ-CG2 3.84Å; F613-V668 PolarHBondContact N-O 3.26Å; F613-V668 PolarHBondContact O-N 3.48Å; F613-I670 HydrophobicContact CD1-CD1 4.09Å; F613-I670 HydrophobicContact CD1-CG1 4.39Å; F613-I670 HydrophobicContact CE1-CD1 4.09Å; F613-I670 HydrophobicContact CE1-CG1 4.25Å
614	F	93.5	Very high	78.3	Confident	34 Å²	34	71.3 Å²	71.3	15%	0.149	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.8	-175.1	-56.9	-85.3	0	0	0	112.6	T567 V568 R665 L666 E667	T567-F614 CarbonylContact C-O 3.16Å; T567-F614 WeakPolarHBondContact CA-O 3.17Å; V568-F614 HydrophobicContact CB-CB 4.26Å; V568-F614 PolarHBondContact N-O 3.33Å; V568-F614 PolarHBondContact O-N 3.07Å; F614-R665 HydrophobicContact CB-CG 4.32Å; F614-R665 HydrophobicContact CD1-CG 4.24Å; F614-R665 VanDerWaalsContact CE1-NH2 3.28Å; F614-R665 VanDerWaalsContact CG-NE 3.28Å; F614-L666 CarbonylContact C-O 3.43Å; F614-L666 VanDerWaalsContact CA-O 3.28Å; F614-L666 WeakPolarHBondContact CA-O 3.5Å; F614-E667 HydrophobicContact CD1-CB 3.96Å; F614-E667 HydrophobicContact CD1-CG 4.18Å; F614-E667 HydrophobicContact CE1-CB 3.81Å; F614-E667 HydrophobicContact CE1-CG 3.71Å; F614-E667 HydrophobicContact CZ-CG 4.39Å
615	L	93.3	Very high	77.7	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.5	170.1	-172.7	70.9	0	0	0	108.7	F533 V549 Y565 T567 V597 V599 R665 L666	F533-L615 HydrophobicContact CE1-CD2 3.76Å; F533-L615 HydrophobicContact CE1-CG 4.37Å; F533-L615 WeakPolarHBondContact CE2-O 3.37Å; F533-L615 HydrophobicContact CZ-CB 4.33Å; F533-L615 HydrophobicContact CZ-CD2 3.77Å; F533-L615 HydrophobicContact CZ-CG 3.85Å; V549-L615 HydrophobicContact CB-CD2 4.01Å; V549-L615 HydrophobicContact CG1-CD2 3.87Å; V549-L615 HydrophobicContact CG2-CD2 4.08Å; Y565-L615 HydrophobicContact CD2-CD1 4.17Å; T567-L615 HydrophobicContact CG2-CD1 3.75Å; V597-L615 HydrophobicContact CB-CD2 4.42Å; V597-L615 HydrophobicContact CG1-CD1 4.4Å; V597-L615 HydrophobicContact CG1-CD2 4.18Å; V599-L615 HydrophobicContact CG2-CD1 4.49Å; L615-R665 CarbonylContact O-C 3.58Å; L615-R665 WeakPolarHBondContact O-CA 3.02Å; L615-L666 HydrophobicContact CB-CB 4.36Å; L615-L666 PolarHBondContact N-O 3.33Å; L615-L666 PolarHBondContact O-N 3.5Å
616	E	93.1	Very high	77.2	Confident	39 Å²	39	74.9 Å²	74.9	18%	0.182	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.9	-174.9	-69	-177.2	167.3	0	0	111.5	Y565 R566 V568 R665	Y565-E616 VanDerWaalsContact CA-O 3.28Å; Y565-E616 WeakPolarHBondContact CA-O 3.35Å; R566-E616 HydrophobicContact CG-CB 4.38Å; R566-E616 IonicContact CZ-OE2 2.9Å; R566-E616 PolarHBondContact N-O 3.39Å; R566-E616 IonicContact NE-OE2 3.91Å; R566-E616 PolarHBondContact NE-OE2 3.26Å; R566-E616 IonicContact NH2-OE2 3.5Å; R566-E616 PolarHBondContact NH2-OE2 2.89Å; R566-E616 PolarHBondContact O-N 3.09Å; V568-E616 HydrophobicContact CG2-CG 4.17Å; E616-R665 HydrophobicContact CG-CB 4.18Å; E616-R665 HydrophobicContact CG-CG 3.8Å; E616-R665 WeakPolarHBondContact OE1-CD 3.3Å; E616-R665 IonicContact OE1-CZ 2.94Å; E616-R665 IonicContact OE1-NE 2.7Å; E616-R665 IonicContact OE1-NH1 2.84Å
617	L	92.1	Very high	76.7	Confident	13 Å²	13	75.9 Å²	75.9	7%	0.068	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.9	167.1	-59.1	175.9	0	0	0	110.1	F533 V551 V563 L660 P664	F533-L617 HydrophobicContact CD2-CD1 4.25Å; F533-L617 HydrophobicContact CD2-CG 4.38Å; F533-L617 HydrophobicContact CE1-CD1 4.37Å; F533-L617 HydrophobicContact CE1-CD2 4.2Å; F533-L617 HydrophobicContact CE1-CG 4.25Å; F533-L617 HydrophobicContact CE2-CD1 3.96Å; F533-L617 HydrophobicContact CE2-CD2 4.31Å; F533-L617 HydrophobicContact CE2-CG 3.61Å; F533-L617 HydrophobicContact CZ-CD1 4.02Å; F533-L617 HydrophobicContact CZ-CD2 3.71Å; F533-L617 HydrophobicContact CZ-CG 3.52Å; V551-L617 HydrophobicContact CG1-CD1 3.94Å; V551-L617 HydrophobicContact CG1-CD2 4.43Å; V551-L617 HydrophobicContact CG2-CD2 4.1Å; V563-L617 HydrophobicContact CG1-CB 4.34Å; V563-L617 HydrophobicContact CG1-CD2 4.18Å; L617-L660 HydrophobicContact CB-CD2 3.94Å; L617-P664 PolarHBondContact N-O 3.33Å
618	A	89.7	Confident	76.2	Confident	46 Å²	46	73 Å²	73	38%	0.38	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-98.5	171.9	172.1	0	0	0	0	0	111.4	P564	P564-A618 HydrophobicContact CB-CB 3.99Å; P564-A618 HydrophobicContact CG-CB 4.23Å; P564-A618 PolarHBondContact O-N 3.25Å
619	E	85.9	Confident	75.5	Confident	166 Å²	166	74.8 Å²	74.8	78%	0.776	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-55.8	129.2	-177.3	-68.2	-177.1	174.9	0	0	112.5
620	P	88	Confident	74.5	Confident	19 Å²	19	70.2 Å²	70.2	12%	0.123	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.6	143.3	-179.5	31.5	-37	0	0	0	111.4	F531 V561 I562 V563 P658	F531-P620 HydrophobicContact CD2-CB 3.78Å; F531-P620 HydrophobicContact CD2-CG 4Å; F531-P620 HydrophobicContact CE2-CB 4.02Å; F531-P620 HydrophobicContact CE2-CG 4.48Å; V561-P620 HydrophobicContact CG1-CB 3.74Å; I562-P620 WeakPolarHBondContact O-CA 3.08Å; V563-P620 HydrophobicContact CG2-CB 3.98Å; P620-P658 HydrophobicContact CB-CB 4.02Å; P620-P658 HydrophobicContact CB-CG 4.46Å; P620-P658 HydrophobicContact CG-CB 3.89Å; P620-P658 HydrophobicContact CG-CG 4.42Å
621	R	84.4	Confident	73.2	Confident	123 Å²	123	72.9 Å²	72.9	46%	0.464	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.4	178.6	66.3	-176.1	-176.7	-165.5	-3.4	111.6	V561 I562 E585	V561-R621 CarbonylContact C-O 3.53Å; V561-R621 WeakPolarHBondContact CA-O 3.34Å; I562-R621 HydrophobicContact CB-CG 3.82Å; I562-R621 HydrophobicContact CG2-CG 4.38Å; I562-R621 PolarHBondContact N-O 3.33Å; I562-R621 PolarHBondContact O-N 3.2Å; E585-R621 IonicContact OE1-CZ 3.4Å; E585-R621 IonicContact OE1-NH1 3.64Å; E585-R621 IonicContact OE1-NH2 3.92Å; E585-R621 PolarHBondContact OE1-NH2 2.78Å; E585-R621 IonicContact OE2-CZ 3Å; E585-R621 IonicContact OE2-NH2 3.62Å; E585-R621 PolarHBondContact OE2-NH2 3.26Å
622	M	77.4	Confident	71.3	Confident	75 Å²	75	77.1 Å²	77.1	37%	0.369	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141.3	175.2	-166.4	-171.1	-71.7	0	0	111	S528 T560 P658	S528-M622 WeakPolarHBondContact OG-CE 3.29Å; T560-M622 WeakPolarHBondContact O-CA 3.23Å; M622-P658 HydrophobicContact CB-CG 4.48Å
623	V	71.1	Confident	69	Low	68 Å²	68	81.9 Å²	81.9	41%	0.412	43%	0.433	S	S	.	.			trans	-93.6	-27.7	-173.4	-175.5	0	0	0	0	113.1	T560 I562 M625	T560-V623 HydrophobicContact CG2-CB 4.13Å; T560-V623 HydrophobicContact CG2-CG2 4.02Å; T560-V623 PolarHBondContact O-N 2.89Å; I562-V623 HydrophobicContact CB-CG2 4.49Å; I562-V623 HydrophobicContact CD1-CG2 3.38Å; I562-V623 HydrophobicContact CG1-CG2 3.5Å; V623-M625 PolarHBondContact O-N 2.72Å
624	D	57.8	Low	66.7	Low	97 Å²	97	85.9 Å²	85.9	52%	0.519	47%	0.466	S	S	.	.			trans	-85.8	98.5	-176.4	-85.3	-42.2	0	0	0	113.3
625	M	56.1	Low	64.5	Low	134 Å²	134	89.1 Å²	89.1	66%	0.66	48%	0.484	S	S	*	.			trans	-100.4	26.7	177.3	-102.5	-140.3	150.7	0	0	113.9	V623 K629	V623-M625 PolarHBondContact O-N 2.72Å; M625-K629 WeakPolarHBondContact O-CB 3.19Å; M625-K629 HydrophobicContact SD-CD 4.18Å
626	S	51.3	Low	62	Low	88 Å²	88	97 Å²	97	62%	0.615	53%	0.527	S	S	*	.	S	Bend	trans	-97.4	-30.3	-174.4	60.1	0	0	0	0	114.7
627	L	47.4	Very low	59.7	Low	150 Å²	150	100.3 Å²	100.3	79%	0.785	55%	0.549	S	S	*	.	S	Bend	trans	-98.8	-43.5	179.1	-127.3	81.4	0	0	0	113.5	K629 A630	L627-K629 VanDerWaalsContact C-N 3.3Å; L627-K629 PolarHBondContact O-N 3.46Å; L627-A630 PolarHBondContact O-N 2.73Å
628	Q	47.4	Very low	57.7	Low	101 Å²	101	105.2 Å²	105.2	47%	0.472	58%	0.582	S	S	.	*	H	α-helix	trans	-67.8	-29.9	-176.9	-155.9	114.4	-8.5	0	0	113	A630 L631 L632	Q628-A630 VanDerWaalsContact C-N 3.3Å; Q628-A630 PolarHBondContact O-N 2.9Å; Q628-L631 PolarHBondContact O-N 3.3Å; Q628-L632 HydrophobicContact CG-CD1 3.85Å; Q628-L632 WeakPolarHBondContact O-CB 2.79Å; Q628-L632 WeakPolarHBondContact O-CG 3.38Å; Q628-L632 PolarHBondContact O-N 3.46Å
629	K	45.1	Very low	55.8	Low	106 Å²	106	111.1 Å²	111.1	46%	0.461	61%	0.607	S	S	.	*	H	α-helix	trans	-73.7	-22.4	178.2	-148.8	178.6	-174.1	171.2	0	112.4	M625 L627 L633	M625-K629 WeakPolarHBondContact O-CB 3.19Å; M625-K629 HydrophobicContact SD-CD 4.18Å; L627-K629 VanDerWaalsContact C-N 3.3Å; L627-K629 PolarHBondContact O-N 3.46Å; K629-L633 HydrophobicContact CD-CD1 4.2Å; K629-L633 HydrophobicContact CG-CD1 3.69Å; K629-L633 HydrophobicContact CG-CG 4.02Å; K629-L633 WeakPolarHBondContact O-CB 3.27Å; K629-L633 WeakPolarHBondContact O-CD1 3.48Å; K629-L633 VanDerWaalsContact O-CG 3.22Å; K629-L633 WeakPolarHBondContact O-CG 3.43Å; K629-L633 PolarHBondContact O-N 2.95Å
630	A	44.2	Very low	54	Low	77 Å²	77	113.9 Å²	113.9	64%	0.636	61%	0.61	S	S	*	*	H	α-helix	trans	-76	-29.8	173.3	0	0	0	0	0	112.1	L627 Q628	L627-A630 PolarHBondContact O-N 2.73Å; Q628-A630 VanDerWaalsContact C-N 3.3Å; Q628-A630 PolarHBondContact O-N 2.9Å
631	L	47.3	Very low	52.1	Low	151 Å²	151	122.9 Å²	122.9	79%	0.791	65%	0.647	S	S	*	*	H	α-helix	trans	-82.5	-36.3	176.2	-140.7	85.9	0	0	0	112.5	Q628	Q628-L631 PolarHBondContact O-N 3.3Å
632	L	47.1	Very low	50.6	Low	103 Å²	103	119.9 Å²	119.9	54%	0.539	64%	0.64	S	S	.	*	H	α-helix	trans	-85.5	-17.3	-177.9	-69.1	170.5	0	0	0	114.7	Q628 A634	Q628-L632 HydrophobicContact CG-CD1 3.85Å; Q628-L632 WeakPolarHBondContact O-CB 2.79Å; Q628-L632 WeakPolarHBondContact O-CG 3.38Å; Q628-L632 PolarHBondContact O-N 3.46Å; L632-A634 VanDerWaalsContact C-N 3.29Å
633	L	43.8	Very low	49.7	Very low	130 Å²	130	120 Å²	120	68%	0.681	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	12.7	174	-71	175.4	0	0	0	113.8	K629 D635	K629-L633 HydrophobicContact CD-CD1 4.2Å; K629-L633 HydrophobicContact CG-CD1 3.69Å; K629-L633 HydrophobicContact CG-CG 4.02Å; K629-L633 WeakPolarHBondContact O-CB 3.27Å; K629-L633 WeakPolarHBondContact O-CD1 3.48Å; K629-L633 VanDerWaalsContact O-CG 3.22Å; K629-L633 WeakPolarHBondContact O-CG 3.43Å; K629-L633 PolarHBondContact O-N 2.95Å; L633-D635 VanDerWaalsContact C-N 3.3Å
634	A	45.2	Very low	49.1	Very low	84 Å²	84	120.4 Å²	120.4	69%	0.694	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	3.9	166.9	0	0	0	0	0	113	L632	L632-A634 VanDerWaalsContact C-N 3.29Å
635	D	45.9	Very low	49	Very low	102 Å²	102	121 Å²	121	55%	0.545	66%	0.655	S	S	.	*			trans	-108.6	19.4	-162.8	-138.4	14.3	0	0	0	115.2	L633 V637	L633-D635 VanDerWaalsContact C-N 3.3Å; D635-V637 PolarHBondContact O-N 2.88Å
636	D	42.7	Very low	49	Very low	166 Å²	166	120 Å²	120	89%	0.888	65%	0.648	S	S	*	*			trans	-79.4	43.2	172.6	-104.9	-3.5	0	0	0	112.6
637	V	44.3	Very low	49.3	Very low	107 Å²	107	120.5 Å²	120.5	65%	0.648	64%	0.641	S	S	*	*			trans	-134.1	102.7	165.8	-173.1	0	0	0	0	109.5	D635 D639	D635-V637 PolarHBondContact O-N 2.88Å; V637-D639 PolarHBondContact O-N 3.39Å
638	P	49.8	Very low	49.7	Very low	116 Å²	116	118.4 Å²	118.4	75%	0.753	63%	0.627	S	S	*	*	S	Bend	trans	-79.5	96.1	177.9	31.4	-29	0	0	0	109
639	D	49.1	Very low	50	Low	170 Å²	170	116.3 Å²	116.3	91%	0.909	63%	0.627	S	S	*	*			trans	154.1	60.1	152.8	-84.7	-22.4	0	0	0	111.7	V637	V637-D639 PolarHBondContact O-N 3.39Å
640	R	49.1	Very low	50.7	Low	225 Å²	225	115.6 Å²	115.6	85%	0.849	62%	0.624	S	S	*	*			trans	-117.2	116.6	162.9	-144.4	176	-178.9	-176.5	-4.1	108.5	L642	R640-L642 PolarHBondContact O-N 3.33Å
641	K	48.6	Very low	51.4	Low	207 Å²	207	118.6 Å²	118.6	90%	0.9	62%	0.618	S	S	*	*			trans	-65.1	113.1	167.3	-80.7	-177.4	173.3	-176.9	0	107.2
642	L	52	Low	51.9	Low	61 Å²	61	115.7 Å²	115.7	32%	0.319	60%	0.603	S	S	.	*			trans	-56.4	144.6	169.5	-87.2	85	0	0	0	109.1	R640 E646 E647 K650	R640-L642 PolarHBondContact O-N 3.33Å; L642-E646 HydrophobicContact CB-CB 4.27Å; L642-E646 HydrophobicContact CD2-CB 3.92Å; L642-E646 HydrophobicContact CG-CB 4.24Å; L642-E647 HydrophobicContact CB-CG 3.85Å; L642-E647 HydrophobicContact CD2-CG 4.14Å; L642-K650 HydrophobicContact CD2-CD 4.27Å
643	T	59.5	Low	52.4	Low	76 Å²	76	113.3 Å²	113.3	47%	0.466	60%	0.598	S	S	.	*			trans	-68.2	157.4	168.7	50	0	0	0	0	109.8	D645 E646 E647	T643-D645 PolarHBondContact O-N 3.17Å; T643-D645 VanDerWaalsContact O-N 3.11Å; T643-E646 PolarHBondContact O-N 2.91Å; T643-E646 VanDerWaalsContact O-N 3.1Å; T643-E646 WeakPolarHBondContact OG1-CB 3.49Å; T643-E646 VanDerWaalsContact OG1-CG 3.23Å; T643-E646 WeakPolarHBondContact OG1-CG 3.48Å; T643-E646 PolarHBondContact OG1-N 2.6Å; T643-E646 PolarHBondContact OG1-OE2 3.48Å; T643-E647 PolarHBondContact O-N 2.97Å
644	S	56.9	Low	53.3	Low	77 Å²	77	112.1 Å²	112.1	54%	0.538	59%	0.589	S	S	.	*	H	α-helix	trans	-51.3	-37	176.7	47.1	0	0	0	0	112	E647 E648	S644-E647 PolarHBondContact O-N 2.87Å; S644-E648 VanDerWaalsContact O-CB 3.25Å; S644-E648 WeakPolarHBondContact O-CB 3.41Å; S644-E648 PolarHBondContact O-N 3.37Å
645	D	55.8	Low	54.2	Low	111 Å²	111	114.3 Å²	114.3	59%	0.594	59%	0.587	S	S	*	*	H	α-helix	trans	-77.6	-31.9	-174.7	-47.4	-9.4	0	0	0	111.4	T643 A649	T643-D645 PolarHBondContact O-N 3.17Å; T643-D645 VanDerWaalsContact O-N 3.11Å; D645-A649 VanDerWaalsContact O-CB 3.28Å; D645-A649 WeakPolarHBondContact O-CB 3.48Å; D645-A649 PolarHBondContact O-N 3.47Å
646	E	56	Low	55.1	Low	112 Å²	112	110.7 Å²	110.7	52%	0.523	57%	0.573	S	S	.	*	H	α-helix	trans	-76.1	-34.5	172.9	-74.2	174.4	168.1	0	0	111.7	L642 T643 K650	L642-E646 HydrophobicContact CB-CB 4.27Å; L642-E646 HydrophobicContact CD2-CB 3.92Å; L642-E646 HydrophobicContact CG-CB 4.24Å; T643-E646 PolarHBondContact O-N 2.91Å; T643-E646 VanDerWaalsContact O-N 3.1Å; T643-E646 WeakPolarHBondContact OG1-CB 3.49Å; T643-E646 VanDerWaalsContact OG1-CG 3.23Å; T643-E646 WeakPolarHBondContact OG1-CG 3.48Å; T643-E646 PolarHBondContact OG1-N 2.6Å; T643-E646 PolarHBondContact OG1-OE2 3.48Å; E646-K650 WeakPolarHBondContact O-CB 3.43Å; E646-K650 PolarHBondContact O-N 2.92Å
647	E	57.4	Low	56.7	Low	98 Å²	98	107.4 Å²	107.4	46%	0.458	55%	0.551	S	S	.	*	H	α-helix	trans	-68.1	-35.6	171	-96.9	177.7	-178.3	0	0	112	L642 T643 S644 R651	L642-E647 HydrophobicContact CB-CG 3.85Å; L642-E647 HydrophobicContact CD2-CG 4.14Å; T643-E647 PolarHBondContact O-N 2.97Å; S644-E647 PolarHBondContact O-N 2.87Å; E647-R651 WeakPolarHBondContact O-CB 3.32Å; E647-R651 WeakPolarHBondContact O-CG 3.45Å; E647-R651 PolarHBondContact O-N 2.91Å
648	E	56	Low	58.5	Low	106 Å²	106	103.2 Å²	103.2	50%	0.495	53%	0.526	S	S	.	.	H	α-helix	trans	-70.1	-47.4	174.4	-169.2	159.2	-160.2	0	0	111.2	S644 K650 R651 I652	S644-E648 VanDerWaalsContact O-CB 3.25Å; S644-E648 WeakPolarHBondContact O-CB 3.41Å; S644-E648 PolarHBondContact O-N 3.37Å; E648-K650 VanDerWaalsContact C-N 3.29Å; E648-K650 PolarHBondContact O-N 3.27Å; E648-R651 WeakPolarHBondContact O-CB 3.13Å; E648-R651 PolarHBondContact O-N 3.43Å; E648-R651 VanDerWaalsContact O-N 3.12Å; E648-I652 HydrophobicContact CG-CD1 3.98Å; E648-I652 WeakPolarHBondContact O-CD1 2.85Å; E648-I652 WeakPolarHBondContact O-CG1 3.21Å; E648-I652 PolarHBondContact O-N 2.92Å
649	A	54	Low	60.2	Low	57 Å²	57	101.4 Å²	101.4	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-36.1	173.4	0	0	0	0	0	112.9	D645 I652 A653	D645-A649 VanDerWaalsContact O-CB 3.28Å; D645-A649 WeakPolarHBondContact O-CB 3.48Å; D645-A649 PolarHBondContact O-N 3.47Å; A649-I652 PolarHBondContact O-N 2.93Å; A649-A653 VanDerWaalsContact O-CB 3.29Å; A649-A653 WeakPolarHBondContact O-CB 3.19Å; A649-A653 PolarHBondContact O-N 3.4Å
650	K	59.5	Low	62	Low	91 Å²	91	95.5 Å²	95.5	40%	0.396	48%	0.481	S	S	.	.	H	α-helix	trans	-70	-38.9	174.1	-170.8	173.9	-178	174.7	0	112.1	L642 E646 E648 A653 E654	L642-K650 HydrophobicContact CD2-CD 4.27Å; E646-K650 WeakPolarHBondContact O-CB 3.43Å; E646-K650 PolarHBondContact O-N 2.92Å; E648-K650 VanDerWaalsContact C-N 3.29Å; E648-K650 PolarHBondContact O-N 3.27Å; K650-A653 PolarHBondContact O-N 2.93Å; K650-E654 WeakPolarHBondContact O-CB 3.35Å; K650-E654 WeakPolarHBondContact O-CG 3.39Å; K650-E654 PolarHBondContact O-N 2.94Å
651	R	59.4	Low	63.7	Low	140 Å²	140	85.8 Å²	85.8	53%	0.528	45%	0.45	S	S	.	.	H	α-helix	trans	-63.1	-41.8	172.6	-81.8	-170.9	-71.9	-124.6	-2.5	111.5	E647 E648 E654 M655	E647-R651 WeakPolarHBondContact O-CB 3.32Å; E647-R651 WeakPolarHBondContact O-CG 3.45Å; E647-R651 PolarHBondContact O-N 2.91Å; E648-R651 WeakPolarHBondContact O-CB 3.13Å; E648-R651 PolarHBondContact O-N 3.43Å; E648-R651 VanDerWaalsContact O-N 3.12Å; R651-E654 PolarHBondContact O-N 3.34Å; R651-M655 WeakPolarHBondContact O-CG 3.5Å; R651-M655 PolarHBondContact O-N 3.47Å; R651-M655 VanDerWaalsContact O-N 3.11Å
652	I	57.3	Low	65.4	Low	90 Å²	90	83.9 Å²	83.9	46%	0.462	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-44.8	177.1	-64.6	161.4	0	0	0	110.6	E648 A649 E654 M655 G656	E648-I652 HydrophobicContact CG-CD1 3.98Å; E648-I652 WeakPolarHBondContact O-CD1 2.85Å; E648-I652 WeakPolarHBondContact O-CG1 3.21Å; E648-I652 PolarHBondContact O-N 2.92Å; A649-I652 PolarHBondContact O-N 2.93Å; I652-E654 VanDerWaalsContact C-N 3.29Å; I652-E654 PolarHBondContact O-N 3.49Å; I652-M655 WeakPolarHBondContact O-CB 3.45Å; I652-M655 PolarHBondContact O-N 3.18Å; I652-M655 VanDerWaalsContact O-N 3.13Å; I652-G656 PolarHBondContact O-N 3.19Å
653	A	57.1	Low	67.1	Low	54 Å²	54	83.6 Å²	83.6	45%	0.446	44%	0.442	S	S	.	.	H	α-helix	trans	-68.2	-24.6	176.4	0	0	0	0	0	114	A649 K650	A649-A653 VanDerWaalsContact O-CB 3.29Å; A649-A653 WeakPolarHBondContact O-CB 3.19Å; A649-A653 PolarHBondContact O-N 3.4Å; K650-A653 PolarHBondContact O-N 2.93Å
654	E	63.8	Low	68.5	Low	104 Å²	104	82.4 Å²	82.4	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-77.8	-27	171.7	-77.1	-166.9	149.5	0	0	113.1	K650 R651 I652 G656 K657	K650-E654 WeakPolarHBondContact O-CB 3.35Å; K650-E654 WeakPolarHBondContact O-CG 3.39Å; K650-E654 PolarHBondContact O-N 2.94Å; R651-E654 PolarHBondContact O-N 3.34Å; I652-E654 VanDerWaalsContact C-N 3.29Å; I652-E654 PolarHBondContact O-N 3.49Å; E654-G656 VanDerWaalsContact C-N 3.32Å; E654-K657 IonicContact OE1-NZ 2.88Å
655	M	63.9	Low	70.1	Confident	131 Å²	131	84 Å²	84	65%	0.645	43%	0.429	S	S	*	.	H	α-helix	trans	-67.4	-32.6	173.4	-70.9	174.1	-173.2	0	0	111.7	H527 R651 I652 K657	H527-M655 PolarHBondContact NE2-O 3.32Å; H527-M655 VanDerWaalsContact NE2-O 3.12Å; R651-M655 WeakPolarHBondContact O-CG 3.5Å; R651-M655 PolarHBondContact O-N 3.47Å; R651-M655 VanDerWaalsContact O-N 3.11Å; I652-M655 WeakPolarHBondContact O-CB 3.45Å; I652-M655 PolarHBondContact O-N 3.18Å; I652-M655 VanDerWaalsContact O-N 3.13Å; M655-K657 PolarHBondContact O-N 3.03Å; M655-K657 VanDerWaalsContact O-N 3.16Å
656	G	64.9	Low	71.9	Confident	25 Å²	25	78.8 Å²	78.8	26%	0.258	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	10.9	179.3	0	0	0	0	0	116.8	S528 I652 E654	S528-G656 WeakPolarHBondContact CB-O 3.46Å; S528-G656 PolarHBondContact OG-O 3.26Å; I652-G656 PolarHBondContact O-N 3.19Å; E654-G656 VanDerWaalsContact C-N 3.32Å
657	K	76.1	Confident	73.7	Confident	97 Å²	97	76.4 Å²	76.4	42%	0.422	39%	0.391	S	S	.	.	S	Bend	trans	-77.3	153.4	176.3	-73.7	176.1	-175.3	164.5	0	111	H527 E654 M655 V659	H527-K657 PolarHBondContact CE1-O 3.47Å; E654-K657 IonicContact OE1-NZ 2.88Å; M655-K657 PolarHBondContact O-N 3.03Å; M655-K657 VanDerWaalsContact O-N 3.16Å; K657-V659 WeakPolarHBondContact O-CG2 3.5Å; K657-V659 PolarHBondContact O-N 2.74Å
658	P	82.5	Confident	75.3	Confident	19 Å²	19	71.8 Å²	71.8	12%	0.123	37%	0.369	C	S	.	.			trans	-68.6	135	176.1	29.6	-35.2	0	0	0	111	G529 F531 V561 P620 M622	G529-P658 WeakPolarHBondContact O-CA 3.1Å; F531-P658 HydrophobicContact CD2-CB 4.47Å; F531-P658 HydrophobicContact CE2-CB 3.84Å; V561-P658 HydrophobicContact CG1-CB 3.97Å; V561-P658 HydrophobicContact CG1-CG 4.24Å; V561-P658 HydrophobicContact CG2-CB 4.21Å; V561-P658 HydrophobicContact CG2-CG 4.42Å; P620-P658 HydrophobicContact CB-CB 4.02Å; P620-P658 HydrophobicContact CB-CG 4.46Å; P620-P658 HydrophobicContact CG-CB 3.89Å; P620-P658 HydrophobicContact CG-CG 4.42Å; M622-P658 HydrophobicContact CB-CG 4.48Å
659	V	84.9	Confident	76.9	Confident	78 Å²	78	68 Å²	68	47%	0.473	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157	-178.3	-163.3	0	0	0	0	110.4	I530 F531 K657	I530-V659 CarbonylContact C-O 3.58Å; I530-V659 WeakPolarHBondContact CA-O 3.21Å; F531-V659 PolarHBondContact N-O 3.33Å; K657-V659 WeakPolarHBondContact O-CG2 3.5Å; K657-V659 PolarHBondContact O-N 2.74Å
660	L	88.1	Confident	78.5	Confident	47 Å²	47	66.1 Å²	66.1	25%	0.246	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	139.5	167.6	-68.5	173.6	0	0	0	110.4	F531 L617 P664	F531-L660 WeakPolarHBondContact O-CA 3.47Å; L617-L660 HydrophobicContact CB-CD2 3.94Å; L660-P664 HydrophobicContact CB-CB 4.46Å; L660-P664 HydrophobicContact CD1-CB 4.18Å
661	G	83.9	Confident	79.4	Confident	20 Å²	20	65.3 Å²	65.3	21%	0.206	33%	0.331	C	S	.	.			trans	-86.7	-159.7	177.7	0	0	0	0	0	113.6	F531 H663	F531-G661 PolarHBondContact O-N 3.35Å; G661-H663 VanDerWaalsContact C-N 3.34Å; G661-H663 PolarHBondContact O-N 3.05Å
662	E	84.6	Confident	80	Confident	167 Å²	167	61 Å²	61	78%	0.78	32%	0.317	S	S	*	.	S	Bend	trans	-62.6	-35.5	-172.9	-170.3	178	-169	0	0	113.7	P664	E662-P664 VanDerWaalsContact C-CD 3.46Å; E662-P664 WeakPolarHBondContact O-CD 3.45Å
663	H	87.7	Confident	80.3	Confident	55 Å²	55	57.9 Å²	57.9	26%	0.255	30%	0.303	S	S	.	.			trans	-115.7	80.5	-177.4	-54.3	97.1	0	0	0	111.3	T532 F533 G536 G661 R665	T532-H663 WeakPolarHBondContact OG1-CB 3.48Å; T532-H663 PolarHBondContact OG1-N 3.27Å; T532-H663 PolarHBondContact OG1-O 3.43Å; F533-H663 HydrophobicContact CB-CB 4.19Å; F533-H663 VanDerWaalsContact CD2-O 3.25Å; F533-H663 WeakPolarHBondContact CD2-O 3.35Å; F533-H663 PolarHBondContact N-O 2.85Å; G536-H663 PolarHBondContact N-CD2 3.49Å; G661-H663 VanDerWaalsContact C-N 3.34Å; G661-H663 PolarHBondContact O-N 3.05Å; H663-R665 VanDerWaalsContact C-N 3.28Å
664	P	87.6	Confident	80.4	Confident	51 Å²	51	64.4 Å²	64.4	33%	0.331	32%	0.318	S	S	.	.	S	Bend	trans	-79.5	-11.4	174.7	32.7	-35.7	0	0	0	112.9	L617 L660 E662	L617-P664 PolarHBondContact N-O 3.33Å; L660-P664 HydrophobicContact CB-CB 4.46Å; L660-P664 HydrophobicContact CD1-CB 4.18Å; E662-P664 VanDerWaalsContact C-CD 3.46Å; E662-P664 WeakPolarHBondContact O-CD 3.45Å
665	R	91.6	Very high	80.2	Confident	110 Å²	110	66.7 Å²	66.7	42%	0.415	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131	179.8	179.3	173.9	173.6	-178.2	-4.5	109.8	F614 L615 E616 H663	F614-R665 HydrophobicContact CB-CG 4.32Å; F614-R665 HydrophobicContact CD1-CG 4.24Å; F614-R665 VanDerWaalsContact CE1-NH2 3.28Å; F614-R665 VanDerWaalsContact CG-NE 3.28Å; L615-R665 CarbonylContact O-C 3.58Å; L615-R665 WeakPolarHBondContact O-CA 3.02Å; E616-R665 HydrophobicContact CG-CB 4.18Å; E616-R665 HydrophobicContact CG-CG 3.8Å; E616-R665 WeakPolarHBondContact OE1-CD 3.3Å; E616-R665 IonicContact OE1-CZ 2.94Å; E616-R665 IonicContact OE1-NE 2.7Å; E616-R665 IonicContact OE1-NH1 2.84Å; H663-R665 VanDerWaalsContact C-N 3.28Å
666	L	92.9	Very high	80.1	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.9	175.9	171.9	67.4	0	0	0	109.8	F533 S535 V538 V549 F614 L615 V668	F533-L666 HydrophobicContact CD1-CB 4.41Å; F533-L666 HydrophobicContact CD2-CB 3.69Å; F533-L666 HydrophobicContact CE2-CB 3.91Å; F533-L666 HydrophobicContact CG-CB 3.96Å; F533-L666 HydrophobicContact CZ-CB 4.37Å; S535-L666 VanDerWaalsContact O-CD1 3.26Å; S535-L666 WeakPolarHBondContact O-CD1 3.44Å; V538-L666 HydrophobicContact CB-CD1 4.2Å; V538-L666 HydrophobicContact CG2-CD1 3.78Å; V549-L666 HydrophobicContact CB-CD2 4.43Å; V549-L666 HydrophobicContact CG1-CD2 3.47Å; V549-L666 VanDerWaalsContact CG1-CD2 3.47Å; V549-L666 HydrophobicContact CG2-CD2 4.04Å; F614-L666 CarbonylContact C-O 3.43Å; F614-L666 VanDerWaalsContact CA-O 3.28Å; F614-L666 WeakPolarHBondContact CA-O 3.5Å; L615-L666 HydrophobicContact CB-CB 4.36Å; L615-L666 PolarHBondContact N-O 3.33Å; L615-L666 PolarHBondContact O-N 3.5Å; L666-V668 HydrophobicContact CD2-CG2 4.02Å; L666-V668 HydrophobicContact CG-CG2 4.05Å
667	E	93.6	Very high	80	Confident	62 Å²	62	68.6 Å²	68.6	29%	0.29	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.8	167.5	-176.1	174.1	-164.5	0	0	110.3	G536 S537 V538 N612 F614 I669	G536-E667 PolarHBondContact O-N 3.47Å; S537-E667 CarbonylContact C-O 3.38Å; S537-E667 WeakPolarHBondContact CA-O 2.98Å; V538-E667 PolarHBondContact N-O 2.83Å; N612-E667 HydrophobicContact CB-CG 4.29Å; N612-E667 PolarHBondContact ND2-OE1 3.32Å; F614-E667 HydrophobicContact CD1-CB 3.96Å; F614-E667 HydrophobicContact CD1-CG 4.18Å; F614-E667 HydrophobicContact CE1-CB 3.81Å; F614-E667 HydrophobicContact CE1-CG 3.71Å; F614-E667 HydrophobicContact CZ-CG 4.39Å; E667-I669 HydrophobicContact CG-CG1 4.23Å
668	V	91.8	Very high	79.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.9	178.3	-176.5	0	0	0	0	108.1	I540 M547 N612 F613 L666	I540-V668 HydrophobicContact CD1-CG1 3.55Å; I540-V668 HydrophobicContact CG1-CG1 3.65Å; M547-V668 HydrophobicContact CE-CG1 4.05Å; M547-V668 HydrophobicContact CE-CG2 3.98Å; M547-V668 HydrophobicContact SD-CG1 3.68Å; M547-V668 HydrophobicContact SD-CG2 4.17Å; N612-V668 CarbonylContact C-O 3.19Å; N612-V668 WeakPolarHBondContact CA-O 3.32Å; F613-V668 HydrophobicContact CD1-CB 3.9Å; F613-V668 HydrophobicContact CD1-CG1 4.13Å; F613-V668 HydrophobicContact CD2-CB 4.43Å; F613-V668 HydrophobicContact CE1-CB 3.5Å; F613-V668 HydrophobicContact CE1-CG1 3.35Å; F613-V668 HydrophobicContact CE1-CG2 4.27Å; F613-V668 HydrophobicContact CE2-CB 4.08Å; F613-V668 HydrophobicContact CE2-CG2 4.01Å; F613-V668 HydrophobicContact CG-CB 4.35Å; F613-V668 HydrophobicContact CZ-CB 3.61Å; F613-V668 HydrophobicContact CZ-CG1 3.59Å; F613-V668 HydrophobicContact CZ-CG2 3.84Å; F613-V668 PolarHBondContact N-O 3.26Å; F613-V668 PolarHBondContact O-N 3.48Å; L666-V668 HydrophobicContact CD2-CG2 4.02Å; L666-V668 HydrophobicContact CG-CG2 4.05Å
669	I	90.6	Very high	78.5	Confident	28 Å²	28	66.5 Å²	66.5	14%	0.144	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117.5	179.7	-58.8	168.7	0	0	0	107.9	V538 H539 I540 N610 K611 N612 E667 E671	V538-I669 PolarHBondContact O-N 3.34Å; H539-I669 WeakPolarHBondContact CA-O 3.36Å; I540-I669 PolarHBondContact N-O 3.12Å; N610-I669 HydrophobicContact CB-CG2 4.18Å; K611-I669 CarbonylContact O-C 3.55Å; K611-I669 WeakPolarHBondContact O-CA 3.46Å; N612-I669 HydrophobicContact CB-CG1 4.32Å; E667-I669 HydrophobicContact CG-CG1 4.23Å; I669-E671 HydrophobicContact CG2-CG 4.29Å
670	I	86.6	Confident	77.6	Confident	16 Å²	16	63.1 Å²	63.1	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.5	176.2	-54.1	174.4	0	0	0	107.6	I540 E542 A572 D578 I601 N610 K611 F613	I540-I670 HydrophobicContact CD1-CG1 4.2Å; I540-I670 HydrophobicContact CG1-CG1 4.37Å; I540-I670 WeakPolarHBondContact O-CA 3.28Å; E542-I670 HydrophobicContact CB-CG2 3.98Å; A572-I670 HydrophobicContact CB-CD1 4.2Å; D578-I670 HydrophobicContact CB-CD1 4.42Å; I601-I670 HydrophobicContact CG2-CD1 4.36Å; N610-I670 WeakPolarHBondContact CA-O 3.29Å; K611-I670 PolarHBondContact N-O 3.48Å; K611-I670 PolarHBondContact O-N 3.47Å; F613-I670 HydrophobicContact CD1-CD1 4.09Å; F613-I670 HydrophobicContact CD1-CG1 4.39Å; F613-I670 HydrophobicContact CE1-CD1 4.09Å; F613-I670 HydrophobicContact CE1-CG1 4.25Å
671	E	79.3	Confident	76.5	Confident	74 Å²	74	63.6 Å²	63.6	35%	0.346	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.2	177.2	-61.9	-166.3	160.5	0	0	111.4	H539 I540 E542 I669	H539-E671 IonicContact CE1-OE1 2.81Å; H539-E671 IonicContact CG-OE1 2.85Å; H539-E671 IonicContact ND1-OE1 3.53Å; H539-E671 PolarHBondContact ND1-OE1 3.44Å; I540-E671 PolarHBondContact O-N 3.4Å; E542-E671 PolarHBondContact N-O 3.34Å; I669-E671 HydrophobicContact CG2-CG 4.29Å
672	E	70.9	Confident	75.5	Confident	50 Å²	50	68.8 Å²	68.8	23%	0.234	32%	0.322	C	S	.	.			trans	-60.8	146.4	173	-65.3	176.6	178	0	0	111.2	Y607 Y674	Y607-E672 WeakPolarHBondContact CE2-OE1 3.34Å; E672-Y674 PolarHBondContact O-N 3.02Å; E672-Y674 VanDerWaalsContact O-N 3.11Å
673	S	64.1	Low	74.4	Confident	24 Å²	24	61.1 Å²	61.1	17%	0.168	29%	0.286	C	S	.	.			trans	-59.4	113.7	176.3	-62.6	0	0	0	0	112.9	E542 S543 E675 F676	E542-S673 WeakPolarHBondContact OE1-CB 3.29Å; E542-S673 PolarHBondContact OE1-N 2.93Å; E542-S673 PolarHBondContact OE1-OG 3.12Å; S543-S673 PolarHBondContact OG-OG 3.2Å; S673-E675 VanDerWaalsContact C-N 3.27Å; S673-E675 PolarHBondContact O-N 2.95Å; S673-F676 PolarHBondContact O-N 2.84Å
674	Y	58.7	Low	73.3	Confident	192 Å²	192	60.9 Å²	60.9	75%	0.753	29%	0.286	S	S	*	.	H	α-helix	trans	-58	-32.8	-177.8	-175.7	-100.9	0	0	0	114.1	E672 S678	E672-Y674 PolarHBondContact O-N 3.02Å; E672-Y674 VanDerWaalsContact O-N 3.11Å; Y674-S678 WeakPolarHBondContact O-CB 3.46Å; Y674-S678 PolarHBondContact O-N 2.99Å; Y674-S678 VanDerWaalsContact O-N 3.14Å
675	E	60.3	Low	71.7	Confident	152 Å²	152	67.6 Å²	67.6	71%	0.71	31%	0.31	S	S	*	.	H	α-helix	trans	-65.8	-38.7	-179.2	-65.6	-169.5	158	0	0	112.6	S673 T679	S673-E675 VanDerWaalsContact C-N 3.27Å; S673-E675 PolarHBondContact O-N 2.95Å; E675-T679 WeakPolarHBondContact O-CB 3.48Å; E675-T679 PolarHBondContact O-N 3.03Å; E675-T679 PolarHBondContact O-OG1 3.33Å
676	F	61.5	Low	69.9	Low	82 Å²	82	68.2 Å²	68.2	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-70.6	-44.9	-179.3	-171.5	-105.4	0	0	0	111.3	I320 L323 S673 T679 V680	I320-F676 HydrophobicContact CG1-CE1 4.04Å; I320-F676 HydrophobicContact CG1-CZ 4.46Å; I320-F676 HydrophobicContact CG2-CE1 4.12Å; I320-F676 HydrophobicContact CG2-CZ 4.28Å; L323-F676 HydrophobicContact CB-CE2 4.48Å; L323-F676 HydrophobicContact CB-CZ 4.41Å; L323-F676 HydrophobicContact CD1-CE2 4.37Å; L323-F676 HydrophobicContact CD1-CZ 4.41Å; S673-F676 PolarHBondContact O-N 2.84Å; F676-T679 WeakPolarHBondContact O-CB 2.67Å; F676-T679 PolarHBondContact O-N 3.37Å; F676-V680 HydrophobicContact CD1-CG2 4.22Å; F676-V680 HydrophobicContact CE1-CG2 3.93Å; F676-V680 HydrophobicContact CZ-CG2 4.1Å; F676-V680 WeakPolarHBondContact O-CG2 3.41Å; F676-V680 PolarHBondContact O-N 3.21Å
677	K	62.1	Low	68.1	Low	113 Å²	113	69.4 Å²	69.4	49%	0.491	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-46.2	178.4	-175.4	174.1	-177.8	170.1	0	112.8	T679 V680 D681	K677-T679 PolarHBondContact O-N 2.98Å; K677-V680 PolarHBondContact O-N 3.35Å; K677-D681 WeakPolarHBondContact O-CB 3.4Å; K677-D681 PolarHBondContact O-N 3.32Å
678	S	63.4	Low	66.6	Low	38 Å²	38	69 Å²	69	27%	0.266	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-38.1	176.3	-177.7	0	0	0	0	111.9	Y674 K682	Y674-S678 WeakPolarHBondContact O-CB 3.46Å; Y674-S678 PolarHBondContact O-N 2.99Å; Y674-S678 VanDerWaalsContact O-N 3.14Å; S678-K682 WeakPolarHBondContact O-CB 3.29Å; S678-K682 VanDerWaalsContact O-CG 3.28Å; S678-K682 WeakPolarHBondContact O-CG 3.4Å; S678-K682 PolarHBondContact O-N 2.74Å
679	T	65.4	Low	65	Low	34 Å²	34	69.6 Å²	69.6	21%	0.209	33%	0.326	C	S	.	.	H	α-helix	trans	-68.9	-45.3	178.2	-56.5	0	0	0	0	111.7	V339 E675 F676 K677 K682 L683	V339-T679 HydrophobicContact CG1-CG2 4.4Å; V339-T679 HydrophobicContact CG2-CG2 3.43Å; V339-T679 VanDerWaalsContact CG2-CG2 3.43Å; E675-T679 WeakPolarHBondContact O-CB 3.48Å; E675-T679 PolarHBondContact O-N 3.03Å; E675-T679 PolarHBondContact O-OG1 3.33Å; F676-T679 WeakPolarHBondContact O-CB 2.67Å; F676-T679 PolarHBondContact O-N 3.37Å; K677-T679 PolarHBondContact O-N 2.98Å; T679-K682 PolarHBondContact O-N 3.03Å; T679-L683 HydrophobicContact CG2-CD1 4.32Å; T679-L683 WeakPolarHBondContact O-CG 3.49Å; T679-L683 PolarHBondContact O-N 2.91Å
680	V	65.8	Low	63.4	Low	7 Å²	7	68.8 Å²	68.8	4%	0.042	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-42.6	176.2	173.9	0	0	0	0	111.6	I320 L323 F676 K677 K682 L683 I684	I320-V680 HydrophobicContact CG1-CG1 4.37Å; I320-V680 HydrophobicContact CG1-CG2 4.27Å; L323-V680 HydrophobicContact CD1-CG2 4.09Å; F676-V680 HydrophobicContact CD1-CG2 4.22Å; F676-V680 HydrophobicContact CE1-CG2 3.93Å; F676-V680 HydrophobicContact CZ-CG2 4.1Å; F676-V680 WeakPolarHBondContact O-CG2 3.41Å; F676-V680 PolarHBondContact O-N 3.21Å; K677-V680 PolarHBondContact O-N 3.35Å; V680-K682 PolarHBondContact O-N 2.71Å; V680-L683 WeakPolarHBondContact O-CB 3.45Å; V680-L683 PolarHBondContact O-N 3.33Å; V680-I684 HydrophobicContact CG1-CD1 3.79Å; V680-I684 WeakPolarHBondContact O-CD1 3.41Å; V680-I684 VanDerWaalsContact O-CG1 3.31Å; V680-I684 WeakPolarHBondContact O-CG1 3.11Å; V680-I684 PolarHBondContact O-N 2.94Å; V680-I684 VanDerWaalsContact O-N 3.09Å
681	D	64.4	Low	62.1	Low	58 Å²	58	72.2 Å²	72.2	31%	0.31	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-33.5	177.7	-82.5	-32.6	0	0	0	112.6	R316 K677 K685	R316-D681 IonicContact CZ-OD1 3.58Å; R316-D681 IonicContact NE-OD1 2.76Å; R316-D681 PolarHBondContact NE-OD1 3.17Å; R316-D681 IonicContact NH2-OD1 3.84Å; R316-D681 PolarHBondContact NH2-OD1 3.5Å; K677-D681 WeakPolarHBondContact O-CB 3.4Å; K677-D681 PolarHBondContact O-N 3.32Å; D681-K685 PolarHBondContact O-N 2.89Å
682	K	63.3	Low	61.4	Low	129 Å²	129	69 Å²	69	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-66.7	-38.2	171.3	-78.4	173.9	-174.2	172.5	0	112.2	S678 T679 V680 K686	S678-K682 WeakPolarHBondContact O-CB 3.29Å; S678-K682 VanDerWaalsContact O-CG 3.28Å; S678-K682 WeakPolarHBondContact O-CG 3.4Å; S678-K682 PolarHBondContact O-N 2.74Å; T679-K682 PolarHBondContact O-N 3.03Å; V680-K682 PolarHBondContact O-N 2.71Å; K682-K686 WeakPolarHBondContact O-CG 3.44Å
683	L	62	Low	61.1	Low	5 Å²	5	67 Å²	67	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-45.6	177.9	-83.4	163.5	0	0	0	112	M319 L323 V339 N343 T679 V680 K685 K686 T687	M319-L683 HydrophobicContact CE-CB 4.46Å; L323-L683 HydrophobicContact CD1-CD1 3.83Å; V339-L683 HydrophobicContact CG1-CD1 4.19Å; V339-L683 HydrophobicContact CG1-CD2 3.87Å; V339-L683 HydrophobicContact CG1-CG 4.16Å; N343-L683 HydrophobicContact CB-CD2 4.28Å; N343-L683 WeakPolarHBondContact ND2-CD2 3.44Å; N343-L683 WeakPolarHBondContact OD1-CD2 3.36Å; T679-L683 HydrophobicContact CG2-CD1 4.32Å; T679-L683 WeakPolarHBondContact O-CG 3.49Å; T679-L683 PolarHBondContact O-N 2.91Å; V680-L683 WeakPolarHBondContact O-CB 3.45Å; V680-L683 PolarHBondContact O-N 3.33Å; L683-K685 PolarHBondContact O-N 2.75Å; L683-K686 PolarHBondContact O-N 3.47Å; L683-K686 VanDerWaalsContact O-N 3.15Å; L683-T687 PolarHBondContact O-N 3.5Å; L683-T687 PolarHBondContact O-OG1 2.86Å
684	I	62.7	Low	61.2	Low	51 Å²	51	66.3 Å²	66.3	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-66.4	-38.5	-176.8	-68.3	161.9	0	0	0	111.8	R316 V680 K686 T687	R316-I684 HydrophobicContact CB-CD1 4.38Å; R316-I684 HydrophobicContact CG-CD1 3.28Å; V680-I684 HydrophobicContact CG1-CD1 3.79Å; V680-I684 WeakPolarHBondContact O-CD1 3.41Å; V680-I684 VanDerWaalsContact O-CG1 3.31Å; V680-I684 WeakPolarHBondContact O-CG1 3.11Å; V680-I684 PolarHBondContact O-N 2.94Å; V680-I684 VanDerWaalsContact O-N 3.09Å; I684-K686 PolarHBondContact O-N 3.44Å; I684-T687 PolarHBondContact O-OG1 3.34Å
685	K	55.8	Low	62	Low	192 Å²	192	57.7 Å²	57.7	84%	0.835	28%	0.282	S	S	*	.	H	α-helix	trans	-68.7	-18.2	176.5	-79	-176	177.1	177.6	0	113.6	D681 L683	D681-K685 PolarHBondContact O-N 2.89Å; L683-K685 PolarHBondContact O-N 2.75Å
686	K	53.2	Low	62.8	Low	123 Å²	123	53.9 Å²	53.9	54%	0.535	27%	0.267	S	S	.	.	H	α-helix	trans	-102.7	-7.2	-173.8	-73.5	-178	177	-177.6	0	114.4	K682 L683 I684 N688	K682-K686 WeakPolarHBondContact O-CG 3.44Å; L683-K686 PolarHBondContact O-N 3.47Å; L683-K686 VanDerWaalsContact O-N 3.15Å; I684-K686 PolarHBondContact O-N 3.44Å; K686-N688 PolarHBondContact O-N 3.45Å; K686-N688 VanDerWaalsContact O-N 3.13Å
687	T	55.8	Low	63.9	Low	27 Å²	27	52.2 Å²	52.2	17%	0.166	27%	0.265	C	S	.	.			trans	-89.6	68.7	-174.2	9.4	0	0	0	0	112.1	A346 L347 L683 I684	A346-T687 HydrophobicContact CB-CG2 4.23Å; L347-T687 HydrophobicContact CD2-CG2 3.85Å; L347-T687 HydrophobicContact CG-CG2 4Å; L683-T687 PolarHBondContact O-N 3.5Å; L683-T687 PolarHBondContact O-OG1 2.86Å; I684-T687 PolarHBondContact O-OG1 3.34Å
688	N	60.9	Low	65	Low	53 Å²	53	51.1 Å²	51.1	28%	0.283	26%	0.258	S	S	.	.			trans	-115.1	114.2	168.8	-167.1	-20.9	0	0	0	111	K686 A690 L691	K686-N688 PolarHBondContact O-N 3.45Å; K686-N688 VanDerWaalsContact O-N 3.13Å; N688-A690 PolarHBondContact O-N 2.88Å; N688-A690 VanDerWaalsContact O-N 3.15Å; N688-A690 VanDerWaalsContact OD1-CB 3.31Å; N688-A690 WeakPolarHBondContact OD1-CB 3.44Å; N688-A690 PolarHBondContact OD1-N 2.91Å; N688-L691 HydrophobicContact CB-CD1 4.12Å; N688-L691 HydrophobicContact CB-CG 4.31Å; N688-L691 WeakPolarHBondContact O-CB 3.36Å; N688-L691 PolarHBondContact O-N 3.31Å
689	L	58.3	Low	66	Low	14 Å²	14	58.7 Å²	58.7	7%	0.073	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-28.3	178.8	-163.2	76	0	0	0	112.7	L347 K352 F356 L372 L691 V692 V693	L347-L689 HydrophobicContact CD2-CD1 4.47Å; K352-L689 HydrophobicContact CB-CD2 4.22Å; K352-L689 HydrophobicContact CG-CD2 4.38Å; F356-L689 HydrophobicContact CD2-CD1 4.26Å; F356-L689 HydrophobicContact CD2-CG 4.42Å; F356-L689 HydrophobicContact CE2-CD1 4.25Å; L372-L689 HydrophobicContact CD2-CD1 4.26Å; L689-L691 PolarHBondContact O-N 3.33Å; L689-V692 WeakPolarHBondContact O-CB 3.31Å; L689-V692 PolarHBondContact O-N 3.49Å; L689-V693 PolarHBondContact O-N 3.39Å
690	A	56.8	Low	66.7	Low	11 Å²	11	59.2 Å²	59.2	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-36.4	177.2	0	0	0	0	0	113	S105 N688 V692 V693 G694	S105-A690 VanDerWaalsContact CB-CB 3.49Å; S105-A690 WeakPolarHBondContact OG-CB 3.5Å; N688-A690 PolarHBondContact O-N 2.88Å; N688-A690 VanDerWaalsContact O-N 3.15Å; N688-A690 VanDerWaalsContact OD1-CB 3.31Å; N688-A690 WeakPolarHBondContact OD1-CB 3.44Å; N688-A690 PolarHBondContact OD1-N 2.91Å; A690-V692 PolarHBondContact O-N 3.18Å; A690-V693 PolarHBondContact O-N 3.19Å; A690-G694 PolarHBondContact O-N 2.85Å; A690-G694 VanDerWaalsContact O-N 3.12Å
691	L	59.8	Low	67.6	Low	87 Å²	87	59.1 Å²	59.1	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-68.9	-22.4	174.8	-74.1	173	0	0	0	112.3	N688 L689	N688-L691 HydrophobicContact CB-CD1 4.12Å; N688-L691 HydrophobicContact CB-CG 4.31Å; N688-L691 WeakPolarHBondContact O-CB 3.36Å; N688-L691 PolarHBondContact O-N 3.31Å; L689-L691 PolarHBondContact O-N 3.33Å
692	V	64.8	Low	68.7	Low	8 Å²	8	59.7 Å²	59.7	5%	0.048	28%	0.28	C	S	.	.	H	α-helix	trans	-77.7	-32.1	177.8	-179.2	0	0	0	0	111.7	L347 I371 L372 H375 L689 A690	L347-V692 HydrophobicContact CD1-CG2 4.19Å; L347-V692 HydrophobicContact CD2-CG2 4.25Å; I371-V692 HydrophobicContact CG1-CG1 4.26Å; L372-V692 HydrophobicContact CD2-CG1 4.17Å; H375-V692 HydrophobicContact CB-CG1 3.88Å; L689-V692 WeakPolarHBondContact O-CB 3.31Å; L689-V692 PolarHBondContact O-N 3.49Å; A690-V692 PolarHBondContact O-N 3.18Å
693	V	65.1	Low	69.6	Low	8 Å²	8	58.4 Å²	58.4	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-86.9	-27	-179	-179.7	0	0	0	0	111.9	A98 E101 F356 I359 I371 L689 A690	A98-V693 HydrophobicContact CB-CG1 4.02Å; E101-V693 HydrophobicContact CB-CG1 4.32Å; E101-V693 HydrophobicContact CG-CB 4.43Å; E101-V693 HydrophobicContact CG-CG1 4.34Å; F356-V693 HydrophobicContact CB-CG2 4.45Å; F356-V693 HydrophobicContact CD2-CG2 3.87Å; I359-V693 HydrophobicContact CD1-CG1 3.37Å; I371-V693 HydrophobicContact CD1-CG2 4.38Å; L689-V693 PolarHBondContact O-N 3.39Å; A690-V693 PolarHBondContact O-N 3.19Å
694	G	64.9	Low	70.4	Confident	9 Å²	9	59.4 Å²	59.4	9%	0.093	28%	0.282	C	S	.	.			trans	-69.2	156.4	177.7	0	0	0	0	0	113.9	A690 T747	A690-G694 PolarHBondContact O-N 2.85Å; A690-G694 VanDerWaalsContact O-N 3.12Å; G694-T747 WeakPolarHBondContact CA-OG1 2.96Å
695	T	75	Confident	71.4	Confident	10 Å²	10	57.2 Å²	57.2	6%	0.061	27%	0.271	C	S	.	.			trans	-118	134.1	168.4	47.8	0	0	0	0	109	Q701 P746 T747 D748	T695-Q701 HydrophobicContact CG2-CG 3.96Å; T695-Q701 PolarHBondContact OG1-NE2 3.27Å; T695-P746 VanDerWaalsContact O-CB 3.26Å; T695-P746 WeakPolarHBondContact O-CB 3.5Å; T695-T747 PolarHBondContact N-OG1 2.87Å; T695-T747 PolarHBondContact O-N 3.15Å; T695-T747 PolarHBondContact O-OG1 3.06Å; T695-T747 PolarHBondContact OG1-N 2.73Å; T695-D748 PolarHBondContact O-N 3.39Å
696	N	78.3	Confident	72.8	Confident	73 Å²	73	53.3 Å²	53.3	39%	0.39	26%	0.258	S	S	.	.			trans	-105.1	-22.5	-168	-56.6	6.6	0	0	0	111.6	D748	N696-D748 VanDerWaalsContact CA-OD2 3.24Å; N696-D748 WeakPolarHBondContact CA-OD2 3.23Å; N696-D748 WeakPolarHBondContact CB-OD2 3.48Å; N696-D748 PolarHBondContact OD1-OD1 3.48Å; N696-D748 PolarHBondContact OD1-OD2 3.23Å; N696-D748 VanDerWaalsContact OD1-OD2 3.04Å
697	S	83.8	Confident	74.1	Confident	46 Å²	46	50.3 Å²	50.3	32%	0.322	25%	0.25	S	S	.	.			trans	-144.4	149.8	-178.4	74.7	0	0	0	0	113.9	R699 E700 Q701	S697-R699 VanDerWaalsContact C-N 3.3Å; S697-R699 PolarHBondContact O-N 2.96Å; S697-E700 WeakPolarHBondContact O-CB 3.48Å; S697-E700 PolarHBondContact O-N 3.29Å; S697-E700 VanDerWaalsContact OG-CB 3.22Å; S697-E700 WeakPolarHBondContact OG-CB 3.28Å; S697-E700 PolarHBondContact OG-N 3.16Å; S697-Q701 PolarHBondContact O-N 2.84Å
698	W	85.8	Confident	75.2	Confident	91 Å²	91	50.7 Å²	50.7	35%	0.345	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-36.9	172.5	-80.9	90.1	0	0	0	112.9	E700 Q701 F702 A742 C743 P746	W698-E700 VanDerWaalsContact C-N 3.3Å; W698-E700 PolarHBondContact O-N 3.26Å; W698-Q701 PolarHBondContact O-N 3.48Å; W698-F702 HydrophobicContact CE3-CD2 4.14Å; W698-F702 AromaticContact CE3-CE2 3.49Å; W698-F702 HydrophobicContact CE3-CE2 3.49Å; W698-F702 VanDerWaalsContact CE3-CE2 3.49Å; W698-F702 HydrophobicContact CE3-CZ 4.31Å; W698-F702 AromaticContact CZ3-CE2 3.79Å; W698-F702 HydrophobicContact CZ3-CE2 3.79Å; W698-F702 HydrophobicContact CZ3-CZ 4.2Å; W698-F702 WeakPolarHBondContact O-CD2 3.14Å; W698-F702 PolarHBondContact O-N 3.48Å; W698-A742 WeakPolarHBondContact CZ3-O 2.89Å; W698-C743 VanDerWaalsContact CH2-CA 3.46Å; W698-C743 HydrophobicContact CH2-CB 4.29Å; W698-C743 WeakPolarHBondContact CH2-O 3.4Å; W698-C743 HydrophobicContact CZ3-CB 4.26Å; W698-P746 VanDerWaalsContact CD1-CG 3.48Å; W698-P746 HydrophobicContact CG-CG 4Å
699	R	84.2	Confident	75.6	Confident	196 Å²	196	49.8 Å²	49.8	74%	0.74	25%	0.251	S	S	*	.	H	α-helix	trans	-57.4	-46.7	176.7	179.2	-176.7	177.1	-149.5	-0.7	110.9	S697 M703	S697-R699 VanDerWaalsContact C-N 3.3Å; S697-R699 PolarHBondContact O-N 2.96Å; R699-M703 VanDerWaalsContact O-CB 3.29Å; R699-M703 WeakPolarHBondContact O-CB 3.41Å; R699-M703 PolarHBondContact O-N 2.83Å
700	E	79.9	Confident	75.5	Confident	45 Å²	45	50.5 Å²	50.5	21%	0.21	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-42.6	178.8	-176.1	179.9	-179.2	0	0	111.6	S697 W698 M703 E704	S697-E700 WeakPolarHBondContact O-CB 3.48Å; S697-E700 PolarHBondContact O-N 3.29Å; S697-E700 VanDerWaalsContact OG-CB 3.22Å; S697-E700 WeakPolarHBondContact OG-CB 3.28Å; S697-E700 PolarHBondContact OG-N 3.16Å; W698-E700 VanDerWaalsContact C-N 3.3Å; W698-E700 PolarHBondContact O-N 3.26Å; E700-M703 PolarHBondContact O-N 2.74Å; E700-E704 VanDerWaalsContact O-CB 3.23Å; E700-E704 WeakPolarHBondContact O-CB 3.48Å; E700-E704 PolarHBondContact O-N 2.73Å
701	Q	84.9	Confident	75.3	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.023	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-44.6	176.5	-70	-175.1	-10.1	0	0	113.3	T695 S697 W698 E704 A705 A742 V744 P746	T695-Q701 HydrophobicContact CG2-CG 3.96Å; T695-Q701 PolarHBondContact OG1-NE2 3.27Å; S697-Q701 PolarHBondContact O-N 2.84Å; W698-Q701 PolarHBondContact O-N 3.48Å; Q701-E704 PolarHBondContact O-N 3.21Å; Q701-A705 WeakPolarHBondContact O-CB 3.11Å; Q701-A705 PolarHBondContact O-N 3.29Å; Q701-A742 HydrophobicContact CB-CB 4.39Å; Q701-A742 PolarHBondContact OE1-O 2.9Å; Q701-V744 PolarHBondContact OE1-O 2.82Å; Q701-V744 VanDerWaalsContact OE1-O 3.06Å; Q701-P746 VanDerWaalsContact NE2-CA 3.34Å
702	F	88.1	Confident	75	Confident	70 Å²	70	53.9 Å²	53.9	31%	0.307	27%	0.272	S	S	.	.	H	α-helix	trans	-68	-38.5	177.3	-85.6	-68.5	0	0	0	112.3	W698 A705 I706 V739 A742	W698-F702 HydrophobicContact CE3-CD2 4.14Å; W698-F702 AromaticContact CE3-CE2 3.49Å; W698-F702 HydrophobicContact CE3-CE2 3.49Å; W698-F702 VanDerWaalsContact CE3-CE2 3.49Å; W698-F702 HydrophobicContact CE3-CZ 4.31Å; W698-F702 AromaticContact CZ3-CE2 3.79Å; W698-F702 HydrophobicContact CZ3-CE2 3.79Å; W698-F702 HydrophobicContact CZ3-CZ 4.2Å; W698-F702 WeakPolarHBondContact O-CD2 3.14Å; W698-F702 PolarHBondContact O-N 3.48Å; F702-A705 PolarHBondContact O-N 3.44Å; F702-I706 WeakPolarHBondContact O-CG1 3.41Å; F702-I706 PolarHBondContact O-N 2.7Å; F702-V739 HydrophobicContact CE1-CG1 4.38Å; F702-A742 HydrophobicContact CD1-CB 3.71Å; F702-A742 HydrophobicContact CE1-CB 3.76Å; F702-A742 HydrophobicContact CG-CB 4.09Å; F702-A742 HydrophobicContact CZ-CB 4.2Å
703	M	82.7	Confident	74.1	Confident	103 Å²	103	60.3 Å²	60.3	51%	0.507	31%	0.306	S	S	.	.	H	α-helix	trans	-63.5	-47.7	175.3	-167.7	171.4	-67.1	0	0	110.3	R699 E700 A705 I706 T707	R699-M703 VanDerWaalsContact O-CB 3.29Å; R699-M703 WeakPolarHBondContact O-CB 3.41Å; R699-M703 PolarHBondContact O-N 2.83Å; E700-M703 PolarHBondContact O-N 2.74Å; M703-A705 VanDerWaalsContact C-N 3.28Å; M703-A705 PolarHBondContact O-N 2.87Å; M703-I706 PolarHBondContact O-N 3.01Å; M703-T707 HydrophobicContact CG-CG2 4.27Å; M703-T707 VanDerWaalsContact O-CG2 3.28Å; M703-T707 WeakPolarHBondContact O-CG2 3.34Å; M703-T707 PolarHBondContact O-N 2.77Å; M703-T707 PolarHBondContact O-OG1 3.1Å; M703-T707 VanDerWaalsContact O-OG1 3.07Å
704	E	76.9	Confident	73.1	Confident	25 Å²	25	68.8 Å²	68.8	12%	0.117	35%	0.345	C	S	.	.	H	α-helix	trans	-58.7	-37.7	175.1	172.6	164.9	-103.8	0	0	113	R95 R363 K374 E700 Q701 I706 T707	R95-E704 IonicContact CZ-OE2 3.19Å; R95-E704 IonicContact NH1-OE2 2.9Å; R95-E704 IonicContact NH2-OE2 2.76Å; R95-E704 PolarHBondContact NH2-OE2 3.16Å; R95-E704 VanDerWaalsContact NH2-OE2 3.09Å; R363-E704 IonicContact CZ-OE1 3.84Å; R363-E704 VanDerWaalsContact NH1-CD 3.3Å; R363-E704 IonicContact NH1-OE1 3.75Å; R363-E704 PolarHBondContact NH1-OE1 3.15Å; R363-E704 IonicContact NH1-OE2 2.59Å; R363-E704 PolarHBondContact NH1-OE2 3.31Å; R363-E704 IonicContact NH2-OE1 2.76Å; R363-E704 PolarHBondContact NH2-OE1 3.42Å; K374-E704 IonicContact NZ-OE1 3.39Å; K374-E704 PolarHBondContact NZ-OE1 3.29Å; E700-E704 VanDerWaalsContact O-CB 3.23Å; E700-E704 WeakPolarHBondContact O-CB 3.48Å; E700-E704 PolarHBondContact O-N 2.73Å; Q701-E704 PolarHBondContact O-N 3.21Å; E704-I706 VanDerWaalsContact C-N 3.26Å; E704-I706 PolarHBondContact O-N 2.73Å; E704-T707 WeakPolarHBondContact CA-OG1 3.26Å; E704-T707 PolarHBondContact O-OG1 3.23Å
705	A	83.9	Confident	71.8	Confident	5 Å²	5	75.2 Å²	75.2	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-64.6	-30.4	179.8	0	0	0	0	0	113.1	Q701 F702 M703 H731 K738 V739 A742	Q701-A705 WeakPolarHBondContact O-CB 3.11Å; Q701-A705 PolarHBondContact O-N 3.29Å; F702-A705 PolarHBondContact O-N 3.44Å; M703-A705 VanDerWaalsContact C-N 3.28Å; M703-A705 PolarHBondContact O-N 2.87Å; A705-H731 PolarHBondContact O-CE1 3.45Å; A705-H731 VanDerWaalsContact O-CE1 3.31Å; A705-K738 HydrophobicContact CB-CB 3.91Å; A705-V739 HydrophobicContact CB-CG2 4.31Å; A705-A742 HydrophobicContact CB-CB 4.22Å
706	I	85.6	Confident	70.3	Confident	111 Å²	111	81.2 Å²	81.2	57%	0.569	41%	0.405	S	S	*	.	H	α-helix	trans	-100.9	-20.9	-173.4	-58.9	167.6	0	0	0	111.8	F702 M703 E704 H731 V739	F702-I706 WeakPolarHBondContact O-CG1 3.41Å; F702-I706 PolarHBondContact O-N 2.7Å; M703-I706 PolarHBondContact O-N 3.01Å; E704-I706 VanDerWaalsContact C-N 3.26Å; E704-I706 PolarHBondContact O-N 2.73Å; I706-H731 PolarHBondContact O-NE2 3.22Å; I706-V739 HydrophobicContact CG1-CG2 4.17Å
707	T	81	Confident	68.1	Low	59 Å²	59	81.6 Å²	81.6	36%	0.362	41%	0.41	S	S	.	.			trans	-82.9	142.9	177.4	54.9	0	0	0	0	112.4	M703 E704 H731	M703-T707 HydrophobicContact CG-CG2 4.27Å; M703-T707 VanDerWaalsContact O-CG2 3.28Å; M703-T707 WeakPolarHBondContact O-CG2 3.34Å; M703-T707 PolarHBondContact O-N 2.77Å; M703-T707 PolarHBondContact O-OG1 3.1Å; M703-T707 VanDerWaalsContact O-OG1 3.07Å; E704-T707 WeakPolarHBondContact CA-OG1 3.26Å; E704-T707 PolarHBondContact O-OG1 3.23Å; T707-H731 PolarHBondContact O-CE1 3.49Å
708	V	79.2	Confident	66.2	Low	36 Å²	36	84 Å²	84	22%	0.218	44%	0.442	C	S	.	.			trans	-99.7	133.9	167	-175.2	0	0	0	0	107.9	P723 D727 Y728 H731	V708-P723 HydrophobicContact CB-CG 4.35Å; V708-P723 HydrophobicContact CG1-CB 3.68Å; V708-P723 HydrophobicContact CG1-CG 3.75Å; V708-D727 HydrophobicContact CG1-CB 4.41Å; V708-Y728 HydrophobicContact CB-CE1 4.2Å; V708-Y728 HydrophobicContact CG1-CD1 4.4Å; V708-Y728 HydrophobicContact CG1-CE1 4.31Å; V708-Y728 HydrophobicContact CG2-CD1 3.97Å; V708-Y728 HydrophobicContact CG2-CE1 3.98Å; V708-H731 HydrophobicContact CG2-CB 3.82Å; V708-H731 VanDerWaalsContact CG2-CG 3.45Å
709	S	67.8	Low	63.9	Low	34 Å²	34	86.9 Å²	86.9	24%	0.238	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-113.8	134.9	173.5	-56.4	0	0	0	0	108.9	G367	G367-S709 PolarHBondContact O-N 3.33Å; G367-S709 VanDerWaalsContact O-N 3.15Å
710	A	57.9	Low	62	Low	29 Å²	29	85.8 Å²	85.8	24%	0.24	46%	0.462	C	S	.	.			trans	-72.5	145.3	176.5	0	0	0	0	0	111	E712 R721 P723	A710-E712 PolarHBondContact O-N 3.16Å; A710-R721 WeakPolarHBondContact CB-O 3.44Å; A710-P723 HydrophobicContact CB-CB 4.27Å; A710-P723 HydrophobicContact CB-CG 4.19Å
711	D	52.8	Low	60.5	Low	69 Å²	69	91.1 Å²	91.1	37%	0.369	48%	0.48	S	S	.	.			trans	-84.8	108.1	172.7	-138.3	7.3	0	0	0	108.6	M364	M364-D711 WeakPolarHBondContact CE-OD1 3.27Å
712	E	53.4	Low	59.2	Low	100 Å²	100	98.3 Å²	98.3	47%	0.467	52%	0.518	S	S	.	.			trans	-91.6	99.6	176.4	-71.8	176.9	-175.9	0	0	110.4	K373 A710	K373-E712 PolarHBondContact NZ-O 2.92Å; K373-E712 IonicContact NZ-OE2 3.8Å; K373-E712 PolarHBondContact NZ-OE2 3.33Å; A710-E712 PolarHBondContact O-N 3.16Å
713	D	44.2	Very low	58.2	Low	142 Å²	142	96 Å²	96	76%	0.759	51%	0.51	S	S	*	.			trans	-68.1	150.6	159	-76.5	-32.1	0	0	0	110.7	E715	D713-E715 VanDerWaalsContact C-N 3.31Å; D713-E715 PolarHBondContact O-N 3.03Å
714	E	44.2	Very low	57.8	Low	186 Å²	186	94.2 Å²	94.2	87%	0.869	51%	0.508	S	S	*	.	S	Bend	trans	-54.2	32.2	-162.2	-69.3	-178.8	152.6	0	0	120.8
715	E	38.5	Very low	57.8	Low	145 Å²	145	98.1 Å²	98.1	68%	0.678	54%	0.537	S	S	*	.			trans	-108.4	91.4	177.2	-75.6	-178.3	174.5	0	0	113.4	D713 T717	D713-E715 VanDerWaalsContact C-N 3.31Å; D713-E715 PolarHBondContact O-N 3.03Å; E715-T717 PolarHBondContact O-N 3.43Å; E715-T717 PolarHBondContact O-OG1 3Å
716	D	43.6	Very low	57.5	Low	136 Å²	136	104 Å²	104	73%	0.727	56%	0.562	S	S	*	*			trans	27.6	17.2	132.8	-124.3	-1	0	0	0	122.4	H330	H330-D716 IonicContact CE1-OD1 2.74Å
717	T	32.7	Very low	57.1	Low	81 Å²	81	99.6 Å²	99.6	50%	0.497	54%	0.539	S	S	.	.			trans	-118.9	112.3	172.3	54.9	0	0	0	0	107.7	E715 E719	E715-T717 PolarHBondContact O-N 3.43Å; E715-T717 PolarHBondContact O-OG1 3Å; T717-E719 PolarHBondContact O-N 3.06Å
718	G	43.7	Very low	57.2	Low	96 Å²	96	102.3 Å²	102.3	99%	0.99	54%	0.544	S	S	*	.			trans	-64.9	37.6	175.1	0	0	0	0	0	114.6
719	E	36.5	Very low	57.4	Low	151 Å²	151	104.6 Å²	104.6	71%	0.706	56%	0.557	S	S	*	*	S	Bend	trans	-103.6	118.9	170.9	-70.8	-171.9	163.7	0	0	108.7	T717 R721	T717-E719 PolarHBondContact O-N 3.06Å; E719-R721 PolarHBondContact O-N 2.94Å
720	E	44.2	Very low	58.1	Low	174 Å²	174	104.6 Å²	104.6	81%	0.813	55%	0.554	S	S	*	*			trans	-55.8	96.8	170.6	-67.6	-175.4	158.7	0	0	109.2	L722	E720-L722 PolarHBondContact O-N 2.94Å
721	R	49.2	Very low	59.3	Low	157 Å²	157	104.1 Å²	104.1	59%	0.592	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-67.5	131.1	172.1	-81.3	-174.2	-179.8	161.1	5.8	108.8	A710 E719	A710-R721 WeakPolarHBondContact CB-O 3.44Å; E719-R721 PolarHBondContact O-N 2.94Å
722	L	57.7	Low	61	Low	155 Å²	155	108.6 Å²	108.6	81%	0.812	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-61.3	146	175.8	-68.1	164.2	0	0	0	110.7	E720	E720-L722 PolarHBondContact O-N 2.94Å
723	P	66.4	Low	62.5	Low	21 Å²	21	107.6 Å²	107.6	14%	0.136	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-58.9	148	-178.9	-16.2	25.8	0	0	0	112.3	V708 A710 D727 Y728	V708-P723 HydrophobicContact CB-CG 4.35Å; V708-P723 HydrophobicContact CG1-CB 3.68Å; V708-P723 HydrophobicContact CG1-CG 3.75Å; A710-P723 HydrophobicContact CB-CB 4.27Å; A710-P723 HydrophobicContact CB-CG 4.19Å; P723-D727 HydrophobicContact CB-CB 4.28Å; P723-Y728 HydrophobicContact CB-CD2 4.07Å; P723-Y728 HydrophobicContact CB-CE2 3.56Å; P723-Y728 WeakPolarHBondContact CD-OH 3.31Å; P723-Y728 HydrophobicContact CG-CE1 4.5Å; P723-Y728 HydrophobicContact CG-CE2 3.82Å; P723-Y728 WeakPolarHBondContact CG-OH 3.29Å; P723-Y728 WeakPolarHBondContact O-CE2 3.49Å
724	S	73.8	Confident	64.7	Low	67 Å²	67	100.9 Å²	100.9	47%	0.469	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-65.8	151.3	177.2	179.5	0	0	0	0	110.8	F726 D727 Y728	S724-F726 PolarHBondContact O-N 3.3Å; S724-F726 VanDerWaalsContact O-N 3.11Å; S724-F726 PolarHBondContact OG-N 3.27Å; S724-D727 VanDerWaalsContact CB-OD2 3.31Å; S724-D727 WeakPolarHBondContact CB-OD2 3.44Å; S724-D727 PolarHBondContact N-OD2 2.98Å; S724-D727 WeakPolarHBondContact O-CB 3.23Å; S724-D727 PolarHBondContact O-N 3.38Å; S724-Y728 WeakPolarHBondContact O-CD2 3.33Å; S724-Y728 PolarHBondContact O-N 3.44Å
725	C	78	Confident	66.9	Low	107 Å²	107	94 Å²	94	72%	0.723	50%	0.496	S	S	*	.	H	α-helix	trans	-54.2	-32.5	173.4	-63.6	0	0	0	0	112.3	V729	C725-V729 WeakPolarHBondContact O-CG2 3.26Å; C725-V729 PolarHBondContact O-N 3.22Å; C725-V729 VanDerWaalsContact O-N 3.14Å
726	F	76.9	Confident	69.5	Low	128 Å²	128	92.5 Å²	92.5	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-66	-38.7	175.7	-178	-100.3	0	0	0	112.2	S724 Y728 V729 M730	S724-F726 PolarHBondContact O-N 3.3Å; S724-F726 VanDerWaalsContact O-N 3.11Å; S724-F726 PolarHBondContact OG-N 3.27Å; F726-Y728 PolarHBondContact O-N 3.12Å; F726-V729 PolarHBondContact O-N 3.39Å; F726-M730 HydrophobicContact CD1-CG 4.04Å; F726-M730 HydrophobicContact CD2-CG 4.49Å; F726-M730 HydrophobicContact CE1-CG 3.57Å; F726-M730 HydrophobicContact CE1-SD 4.48Å; F726-M730 HydrophobicContact CE2-CG 4.06Å; F726-M730 HydrophobicContact CE2-SD 4.29Å; F726-M730 HydrophobicContact CG-CG 4.48Å; F726-M730 HydrophobicContact CZ-CG 3.58Å; F726-M730 HydrophobicContact CZ-SD 3.92Å; F726-M730 WeakPolarHBondContact O-CB 3.35Å; F726-M730 WeakPolarHBondContact O-CG 3.31Å; F726-M730 PolarHBondContact O-N 3.2Å
727	D	77.6	Confident	71.8	Confident	19 Å²	19	86.6 Å²	86.6	10%	0.102	46%	0.455	C	S	.	.	H	α-helix	trans	-67.1	-39.2	179.6	-55.8	-30.2	0	0	0	111	V708 P723 S724 M730 H731	V708-D727 HydrophobicContact CG1-CB 4.41Å; P723-D727 HydrophobicContact CB-CB 4.28Å; S724-D727 VanDerWaalsContact CB-OD2 3.31Å; S724-D727 WeakPolarHBondContact CB-OD2 3.44Å; S724-D727 PolarHBondContact N-OD2 2.98Å; S724-D727 WeakPolarHBondContact O-CB 3.23Å; S724-D727 PolarHBondContact O-N 3.38Å; D727-M730 PolarHBondContact O-N 3.1Å; D727-H731 WeakPolarHBondContact O-CB 3.5Å; D727-H731 PolarHBondContact O-N 3.34Å
728	Y	82.3	Confident	74.5	Confident	116 Å²	116	83.8 Å²	83.8	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-63.9	-41.5	173.2	-77.6	-70.5	0	0	0	112.6	V708 P723 S724 F726 H731 F732	V708-Y728 HydrophobicContact CB-CE1 4.2Å; V708-Y728 HydrophobicContact CG1-CD1 4.4Å; V708-Y728 HydrophobicContact CG1-CE1 4.31Å; V708-Y728 HydrophobicContact CG2-CD1 3.97Å; V708-Y728 HydrophobicContact CG2-CE1 3.98Å; P723-Y728 HydrophobicContact CB-CD2 4.07Å; P723-Y728 HydrophobicContact CB-CE2 3.56Å; P723-Y728 WeakPolarHBondContact CD-OH 3.31Å; P723-Y728 HydrophobicContact CG-CE1 4.5Å; P723-Y728 HydrophobicContact CG-CE2 3.82Å; P723-Y728 WeakPolarHBondContact CG-OH 3.29Å; P723-Y728 WeakPolarHBondContact O-CE2 3.49Å; S724-Y728 WeakPolarHBondContact O-CD2 3.33Å; S724-Y728 PolarHBondContact O-N 3.44Å; F726-Y728 PolarHBondContact O-N 3.12Å; Y728-H731 PolarHBondContact O-N 3.2Å; Y728-F732 WeakPolarHBondContact O-CB 3.45Å; Y728-F732 PolarHBondContact O-N 3.25Å
729	V	84.5	Confident	76.7	Confident	83 Å²	83	81.8 Å²	81.8	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-64.9	-46.7	176.6	170.9	0	0	0	0	110.7	C725 F726 H731 F732 L733	C725-V729 WeakPolarHBondContact O-CG2 3.26Å; C725-V729 PolarHBondContact O-N 3.22Å; C725-V729 VanDerWaalsContact O-N 3.14Å; F726-V729 PolarHBondContact O-N 3.39Å; V729-H731 VanDerWaalsContact C-N 3.33Å; V729-H731 PolarHBondContact O-N 3.09Å; V729-F732 PolarHBondContact O-N 3.39Å; V729-L733 HydrophobicContact CG1-CD1 4.24Å; V729-L733 WeakPolarHBondContact O-CG 3.16Å; V729-L733 PolarHBondContact O-N 2.71Å
730	M	81.4	Confident	79.4	Confident	35 Å²	35	78.4 Å²	78.4	17%	0.172	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-37.9	177.5	-71.5	-55.7	-67	0	0	111.9	M365 F726 D727 L733 T734	M365-M730 WeakPolarHBondContact O-CB 3.42Å; M365-M730 WeakPolarHBondContact O-CE 3.27Å; F726-M730 HydrophobicContact CD1-CG 4.04Å; F726-M730 HydrophobicContact CD2-CG 4.49Å; F726-M730 HydrophobicContact CE1-CG 3.57Å; F726-M730 HydrophobicContact CE1-SD 4.48Å; F726-M730 HydrophobicContact CE2-CG 4.06Å; F726-M730 HydrophobicContact CE2-SD 4.29Å; F726-M730 HydrophobicContact CG-CG 4.48Å; F726-M730 HydrophobicContact CZ-CG 3.58Å; F726-M730 HydrophobicContact CZ-SD 3.92Å; F726-M730 WeakPolarHBondContact O-CB 3.35Å; F726-M730 WeakPolarHBondContact O-CG 3.31Å; F726-M730 PolarHBondContact O-N 3.2Å; D727-M730 PolarHBondContact O-N 3.1Å; M730-L733 PolarHBondContact O-N 2.8Å; M730-T734 WeakPolarHBondContact O-CB 3.2Å; M730-T734 WeakPolarHBondContact O-CG2 3.34Å; M730-T734 PolarHBondContact O-N 3.21Å; M730-T734 PolarHBondContact O-OG1 3.1Å
731	H	84.1	Confident	81.7	Confident	19 Å²	19	70.5 Å²	70.5	9%	0.088	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-47.6	173.1	-176.1	96.1	0	0	0	111.1	A705 I706 T707 V708 D727 Y728 V729 L733 T734 V735 K738	A705-H731 PolarHBondContact O-CE1 3.45Å; A705-H731 VanDerWaalsContact O-CE1 3.31Å; I706-H731 PolarHBondContact O-NE2 3.22Å; T707-H731 PolarHBondContact O-CE1 3.49Å; V708-H731 HydrophobicContact CG2-CB 3.82Å; V708-H731 VanDerWaalsContact CG2-CG 3.45Å; D727-H731 WeakPolarHBondContact O-CB 3.5Å; D727-H731 PolarHBondContact O-N 3.34Å; Y728-H731 PolarHBondContact O-N 3.2Å; V729-H731 VanDerWaalsContact C-N 3.33Å; V729-H731 PolarHBondContact O-N 3.09Å; H731-L733 VanDerWaalsContact C-N 3.32Å; H731-L733 PolarHBondContact O-N 2.95Å; H731-T734 CarbonylContact O-C 3.55Å; H731-T734 PolarHBondContact O-N 3.3Å; H731-T734 PolarHBondContact O-OG1 3.19Å; H731-V735 WeakPolarHBondContact O-CB 3.44Å; H731-V735 PolarHBondContact O-N 3.33Å; H731-K738 PolarHBondContact ND1-NZ 2.76Å
732	F	87.8	Confident	83.5	Confident	162 Å²	162	63.2 Å²	63.2	71%	0.711	33%	0.326	S	S	*	.	H	α-helix	trans	-59.8	-40.3	178.6	-178.8	-97.6	0	0	0	112.7	Y728 V729 T734 V735	Y728-F732 WeakPolarHBondContact O-CB 3.45Å; Y728-F732 PolarHBondContact O-N 3.25Å; V729-F732 PolarHBondContact O-N 3.39Å; F732-T734 VanDerWaalsContact C-N 3.31Å; F732-T734 PolarHBondContact O-N 3.47Å; F732-V735 WeakPolarHBondContact O-CG1 3.34Å
733	L	86.5	Confident	85.1	Confident	80 Å²	80	59.1 Å²	59.1	42%	0.419	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-31.2	176	-69.9	173.9	0	0	0	112.6	Y84 V729 M730 H731	Y84-L733 WeakPolarHBondContact CE2-O 3.21Å; V729-L733 HydrophobicContact CG1-CD1 4.24Å; V729-L733 WeakPolarHBondContact O-CG 3.16Å; V729-L733 PolarHBondContact O-N 2.71Å; M730-L733 PolarHBondContact O-N 2.8Å; H731-L733 VanDerWaalsContact C-N 3.32Å; H731-L733 PolarHBondContact O-N 2.95Å
734	T	88.6	Confident	86.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-99.2	-14.1	-173.1	58.9	0	0	0	0	113.8	L87 I91 T366 M730 H731 F732 F736 W737 K738	L87-T734 HydrophobicContact CD1-CG2 3.98Å; L87-T734 HydrophobicContact CD2-CG2 3.56Å; L87-T734 HydrophobicContact CG-CG2 3.91Å; I91-T734 HydrophobicContact CD1-CG2 4.11Å; T366-T734 HydrophobicContact CG2-CG2 3.9Å; M730-T734 WeakPolarHBondContact O-CB 3.2Å; M730-T734 WeakPolarHBondContact O-CG2 3.34Å; M730-T734 PolarHBondContact O-N 3.21Å; M730-T734 PolarHBondContact O-OG1 3.1Å; H731-T734 CarbonylContact O-C 3.55Å; H731-T734 PolarHBondContact O-N 3.3Å; H731-T734 PolarHBondContact O-OG1 3.19Å; F732-T734 VanDerWaalsContact C-N 3.31Å; F732-T734 PolarHBondContact O-N 3.47Å; T734-F736 VanDerWaalsContact C-N 3.27Å; T734-F736 PolarHBondContact O-N 3.47Å; T734-W737 WeakPolarHBondContact O-CB 3.44Å; T734-W737 PolarHBondContact O-N 3.4Å; T734-K738 WeakPolarHBondContact O-CG 3.42Å; T734-K738 PolarHBondContact O-N 3.45Å; T734-K738 WeakPolarHBondContact OG1-CE 3.25Å
735	V	90.3	Very high	87.2	Confident	42 Å²	42	56 Å²	56	26%	0.255	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-38	-173.2	73	0	0	0	0	112.3	H731 F732 W737 K738 V739	H731-V735 WeakPolarHBondContact O-CB 3.44Å; H731-V735 PolarHBondContact O-N 3.33Å; F732-V735 WeakPolarHBondContact O-CG1 3.34Å; V735-W737 PolarHBondContact O-N 3.27Å; V735-K738 PolarHBondContact O-N 3.43Å; V735-V739 HydrophobicContact CG2-CG2 4.14Å; V735-V739 WeakPolarHBondContact O-CB 3.32Å; V735-V739 WeakPolarHBondContact O-CG2 3.49Å; V735-V739 PolarHBondContact O-N 2.91Å
736	F	92.9	Very high	87.7	Confident	113 Å²	113	51 Å²	51	50%	0.496	25%	0.254	S	S	.	.	H	α-helix	trans	-56.4	-50.8	174.9	170.4	-99.9	0	0	0	111.2	Y84 T734 L740	Y84-F736 HydrophobicContact CE1-CD1 4.38Å; Y84-F736 WeakPolarHBondContact OH-CB 3.43Å; Y84-F736 VanDerWaalsContact OH-CD1 3.3Å; Y84-F736 WeakPolarHBondContact OH-CD1 3.24Å; T734-F736 VanDerWaalsContact C-N 3.27Å; T734-F736 PolarHBondContact O-N 3.47Å; F736-L740 HydrophobicContact CE1-CD2 4.44Å; F736-L740 HydrophobicContact CZ-CD2 4.47Å; F736-L740 VanDerWaalsContact O-CB 3.29Å; F736-L740 WeakPolarHBondContact O-CB 3.11Å; F736-L740 PolarHBondContact O-N 3.32Å
737	W	92.3	Very high	88.2	Confident	13 Å²	13	44.9 Å²	44.9	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-41.2	177.9	-68	124.1	0	0	0	112.1	Y84 M85 I91 T734 V735 L740 F741 L766	Y84-W737 AromaticContact CD1-CZ2 3.93Å; Y84-W737 HydrophobicContact CD1-CZ2 3.93Å; Y84-W737 AromaticContact CD1-NE1 3.73Å; Y84-W737 AromaticContact CE1-CE2 3.64Å; Y84-W737 AromaticContact CE1-CZ2 3.67Å; Y84-W737 HydrophobicContact CE1-CZ2 3.67Å; Y84-W737 AromaticContact CE1-NE1 3.3Å; Y84-W737 VanDerWaalsContact CE1-NE1 3.3Å; Y84-W737 AromaticContact CE2-NE1 3.65Å; Y84-W737 AromaticContact CZ-CD1 3.85Å; Y84-W737 AromaticContact CZ-CE2 3.98Å; Y84-W737 AromaticContact CZ-NE1 3.26Å; Y84-W737 VanDerWaalsContact CZ-NE1 3.26Å; Y84-W737 PolarHBondContact O-NE1 2.78Å; M85-W737 HydrophobicContact CE-CH2 4.18Å; M85-W737 HydrophobicContact SD-CH2 3.7Å; M85-W737 HydrophobicContact SD-CZ2 3.65Å; I91-W737 HydrophobicContact CD1-CB 3.71Å; I91-W737 HydrophobicContact CD1-CG 4.42Å; T734-W737 WeakPolarHBondContact O-CB 3.44Å; T734-W737 PolarHBondContact O-N 3.4Å; V735-W737 PolarHBondContact O-N 3.27Å; W737-L740 HydrophobicContact CE3-CD2 3.86Å; W737-L740 HydrophobicContact CZ3-CD2 3.79Å; W737-L740 PolarHBondContact O-N 2.98Å; W737-F741 HydrophobicContact CB-CD2 4.18Å; W737-F741 HydrophobicContact CB-CE2 3.8Å; W737-F741 HydrophobicContact CD2-CE2 4.21Å; W737-F741 HydrophobicContact CD2-CZ 4.14Å; W737-F741 HydrophobicContact CE3-CE1 4.01Å; W737-F741 AromaticContact CE3-CE2 3.78Å; W737-F741 HydrophobicContact CE3-CE2 3.78Å; W737-F741 AromaticContact CE3-CZ 3.3Å; W737-F741 HydrophobicContact CE3-CZ 3.3Å; W737-F741 HydrophobicContact CG-CE2 4.28Å; W737-F741 HydrophobicContact CZ3-CE1 4.36Å; W737-F741 AromaticContact CZ3-CZ 3.84Å; W737-F741 HydrophobicContact CZ3-CZ 3.84Å; W737-F741 WeakPolarHBondContact O-CB 3.45Å; W737-F741 WeakPolarHBondContact O-CD2 3.22Å; W737-F741 WeakPolarHBondContact O-CG 3.48Å; W737-F741 PolarHBondContact O-N 3.49Å; W737-L766 HydrophobicContact CH2-CD2 3.73Å; W737-L766 HydrophobicContact CZ3-CD2 3.75Å
738	K	89.3	Confident	88.5	Confident	21 Å²	21	47.1 Å²	47.1	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-46.2	178.6	-72	-176.1	177.5	-178	0	112.2	T366 A705 H731 T734 V735 F741 A742	T366-K738 PolarHBondContact O-NZ 3.38Å; A705-K738 HydrophobicContact CB-CB 3.91Å; H731-K738 PolarHBondContact ND1-NZ 2.76Å; T734-K738 WeakPolarHBondContact O-CG 3.42Å; T734-K738 PolarHBondContact O-N 3.45Å; T734-K738 WeakPolarHBondContact OG1-CE 3.25Å; V735-K738 PolarHBondContact O-N 3.43Å; K738-F741 PolarHBondContact O-N 3.15Å; K738-A742 WeakPolarHBondContact O-CB 3.43Å; K738-A742 PolarHBondContact O-N 3.48Å
739	V	91.2	Very high	88.6	Confident	54 Å²	54	47.7 Å²	47.7	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-40	178.2	174	0	0	0	0	110.6	F702 A705 I706 V735 F741 A742	F702-V739 HydrophobicContact CE1-CG1 4.38Å; A705-V739 HydrophobicContact CB-CG2 4.31Å; I706-V739 HydrophobicContact CG1-CG2 4.17Å; V735-V739 HydrophobicContact CG2-CG2 4.14Å; V735-V739 WeakPolarHBondContact O-CB 3.32Å; V735-V739 WeakPolarHBondContact O-CG2 3.49Å; V735-V739 PolarHBondContact O-N 2.91Å; V739-F741 PolarHBondContact O-N 3.14Å; V739-A742 PolarHBondContact O-N 3.29Å
740	L	92.3	Very high	88.7	Confident	80 Å²	80	50.1 Å²	50.1	42%	0.419	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-42.6	176.1	-175.5	67.8	0	0	0	111.9	F736 W737 C743	F736-L740 HydrophobicContact CE1-CD2 4.44Å; F736-L740 HydrophobicContact CZ-CD2 4.47Å; F736-L740 VanDerWaalsContact O-CB 3.29Å; F736-L740 WeakPolarHBondContact O-CB 3.11Å; F736-L740 PolarHBondContact O-N 3.32Å; W737-L740 HydrophobicContact CE3-CD2 3.86Å; W737-L740 HydrophobicContact CZ3-CD2 3.79Å; W737-L740 PolarHBondContact O-N 2.98Å; L740-C743 VanDerWaalsContact O-CB 3.22Å; L740-C743 WeakPolarHBondContact O-CB 3.36Å; L740-C743 PolarHBondContact O-N 3.41Å
741	F	91.8	Very high	88.9	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-85.5	-11	-178.5	-55.9	-34.2	0	0	0	113.9	G88 I91 I92 W737 K738 V739 C743 V744 I762 L766	G88-F741 WeakPolarHBondContact O-CE2 3.45Å; I91-F741 HydrophobicContact CB-CD2 4.05Å; I91-F741 HydrophobicContact CB-CE2 4.15Å; I91-F741 HydrophobicContact CG2-CD2 3.75Å; I91-F741 HydrophobicContact CG2-CE2 4.35Å; I92-F741 HydrophobicContact CB-CD1 4.31Å; I92-F741 HydrophobicContact CB-CD2 3.97Å; I92-F741 HydrophobicContact CB-CE1 4.21Å; I92-F741 HydrophobicContact CB-CE2 3.85Å; I92-F741 HydrophobicContact CB-CG 4.21Å; I92-F741 HydrophobicContact CB-CZ 3.98Å; I92-F741 HydrophobicContact CD1-CB 4.26Å; I92-F741 HydrophobicContact CD1-CD1 3.99Å; I92-F741 HydrophobicContact CD1-CG 4.03Å; I92-F741 HydrophobicContact CG1-CD1 4.47Å; I92-F741 HydrophobicContact CG2-CE2 4.37Å; I92-F741 HydrophobicContact CG2-CZ 4.29Å; W737-F741 HydrophobicContact CB-CD2 4.18Å; W737-F741 HydrophobicContact CB-CE2 3.8Å; W737-F741 HydrophobicContact CD2-CE2 4.21Å; W737-F741 HydrophobicContact CD2-CZ 4.14Å; W737-F741 HydrophobicContact CE3-CE1 4.01Å; W737-F741 AromaticContact CE3-CE2 3.78Å; W737-F741 HydrophobicContact CE3-CE2 3.78Å; W737-F741 AromaticContact CE3-CZ 3.3Å; W737-F741 HydrophobicContact CE3-CZ 3.3Å; W737-F741 HydrophobicContact CG-CE2 4.28Å; W737-F741 HydrophobicContact CZ3-CE1 4.36Å; W737-F741 AromaticContact CZ3-CZ 3.84Å; W737-F741 HydrophobicContact CZ3-CZ 3.84Å; W737-F741 WeakPolarHBondContact O-CB 3.45Å; W737-F741 WeakPolarHBondContact O-CD2 3.22Å; W737-F741 WeakPolarHBondContact O-CG 3.48Å; W737-F741 PolarHBondContact O-N 3.49Å; K738-F741 PolarHBondContact O-N 3.15Å; V739-F741 PolarHBondContact O-N 3.14Å; F741-C743 PolarHBondContact O-N 3.12Å; F741-V744 HydrophobicContact CB-CG2 4.5Å; F741-V744 VanDerWaalsContact O-CB 3.3Å; F741-V744 WeakPolarHBondContact O-CB 3.29Å; F741-V744 VanDerWaalsContact O-CG2 3.29Å; F741-V744 WeakPolarHBondContact O-CG2 3.49Å; F741-V744 PolarHBondContact O-N 3.18Å; F741-I762 HydrophobicContact CD1-CG2 4.17Å; F741-I762 HydrophobicContact CE1-CG2 3.61Å; F741-I762 HydrophobicContact CZ-CG2 4.42Å; F741-L766 HydrophobicContact CE1-CD1 4.19Å; F741-L766 HydrophobicContact CZ-CD1 3.68Å
742	A	88.9	Confident	89	Confident	4 Å²	4	52.2 Å²	52.2	3%	0.033	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-13	161.5	0	0	0	0	0	111.8	W698 Q701 F702 A705 K738 V739 V744	W698-A742 WeakPolarHBondContact CZ3-O 2.89Å; Q701-A742 HydrophobicContact CB-CB 4.39Å; Q701-A742 PolarHBondContact OE1-O 2.9Å; F702-A742 HydrophobicContact CD1-CB 3.71Å; F702-A742 HydrophobicContact CE1-CB 3.76Å; F702-A742 HydrophobicContact CG-CB 4.09Å; F702-A742 HydrophobicContact CZ-CB 4.2Å; A705-A742 HydrophobicContact CB-CB 4.22Å; K738-A742 WeakPolarHBondContact O-CB 3.43Å; K738-A742 PolarHBondContact O-N 3.48Å; V739-A742 PolarHBondContact O-N 3.29Å; A742-V744 PolarHBondContact O-N 2.98Å
743	C	89.9	Confident	89.1	Confident	70 Å²	70	49.7 Å²	49.7	47%	0.473	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-2.2	169.1	-61.1	0	0	0	0	115.3	W698 L740 F741	W698-C743 VanDerWaalsContact CH2-CA 3.46Å; W698-C743 HydrophobicContact CH2-CB 4.29Å; W698-C743 WeakPolarHBondContact CH2-O 3.4Å; W698-C743 HydrophobicContact CZ3-CB 4.26Å; L740-C743 VanDerWaalsContact O-CB 3.22Å; L740-C743 WeakPolarHBondContact O-CB 3.36Å; L740-C743 PolarHBondContact O-N 3.41Å; F741-C743 PolarHBondContact O-N 3.12Å
744	V	92.2	Very high	89.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.006	24%	0.238	C	C	.	.	S	Bend	trans	-81.9	134.8	175.8	178	0	0	0	0	108.7	I92 Q701 F741 A742 C755 V758 S759 I762	I92-V744 HydrophobicContact CD1-CG2 3.73Å; Q701-V744 PolarHBondContact OE1-O 2.82Å; Q701-V744 VanDerWaalsContact OE1-O 3.06Å; F741-V744 HydrophobicContact CB-CG2 4.5Å; F741-V744 VanDerWaalsContact O-CB 3.3Å; F741-V744 WeakPolarHBondContact O-CB 3.29Å; F741-V744 VanDerWaalsContact O-CG2 3.29Å; F741-V744 WeakPolarHBondContact O-CG2 3.49Å; F741-V744 PolarHBondContact O-N 3.18Å; A742-V744 PolarHBondContact O-N 2.98Å; V744-C755 HydrophobicContact CG1-CB 4.44Å; V744-V758 HydrophobicContact CG1-CB 4.45Å; V744-V758 HydrophobicContact CG1-CG1 4.32Å; V744-V758 HydrophobicContact CG2-CG1 4.31Å; V744-S759 WeakPolarHBondContact CG1-OG 3.42Å; V744-I762 HydrophobicContact CG2-CD1 3.75Å
745	P	92	Very high	89.5	Confident	22 Å²	22	46.8 Å²	46.8	14%	0.143	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-55.8	140.8	-179.8	22	-33	0	0	0	111.8	A754 C755 V758	P745-A754 HydrophobicContact CB-CB 4.21Å; P745-A754 HydrophobicContact CG-CB 3.99Å; P745-C755 WeakPolarHBondContact O-CB 3.21Å; P745-V758 HydrophobicContact CG-CB 4.26Å; P745-V758 HydrophobicContact CG-CG2 3.94Å
746	P	89.8	Confident	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-54.2	149.3	175	-24.6	31	0	0	0	112.9	T695 W698 Q701 D748 Y749	T695-P746 VanDerWaalsContact O-CB 3.26Å; T695-P746 WeakPolarHBondContact O-CB 3.5Å; W698-P746 VanDerWaalsContact CD1-CG 3.48Å; W698-P746 HydrophobicContact CG-CG 4Å; Q701-P746 VanDerWaalsContact NE2-CA 3.34Å; P746-D748 PolarHBondContact O-N 3.33Å; P746-Y749 HydrophobicContact CB-CD2 4.06Å; P746-Y749 HydrophobicContact CB-CE2 4.4Å; P746-Y749 HydrophobicContact CG-CD2 4.26Å; P746-Y749 HydrophobicContact CG-CE2 4.23Å; P746-Y749 WeakPolarHBondContact O-CB 3.42Å; P746-Y749 PolarHBondContact O-N 3.38Å; P746-Y749 VanDerWaalsContact O-N 3.08Å
747	T	85.5	Confident	89.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.4	-174.6	53.3	0	0	0	0	112.9	A98 G694 T695 Y749 G752 C755	A98-T747 HydrophobicContact CB-CG2 4.1Å; G694-T747 WeakPolarHBondContact CA-OG1 2.96Å; T695-T747 PolarHBondContact N-OG1 2.87Å; T695-T747 PolarHBondContact O-N 3.15Å; T695-T747 PolarHBondContact O-OG1 3.06Å; T695-T747 PolarHBondContact OG1-N 2.73Å; T747-Y749 PolarHBondContact O-N 3.23Å; T747-G752 WeakPolarHBondContact O-CA 3.16Å; T747-G752 PolarHBondContact O-N 3.42Å; T747-C755 HydrophobicContact CG2-CB 4.32Å
748	D	84.2	Confident	89.6	Confident	66 Å²	66	47.8 Å²	47.8	35%	0.353	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24	175	-73.5	3.7	0	0	0	112.7	T695 N696 P746 L750 N751	T695-D748 PolarHBondContact O-N 3.39Å; N696-D748 VanDerWaalsContact CA-OD2 3.24Å; N696-D748 WeakPolarHBondContact CA-OD2 3.23Å; N696-D748 WeakPolarHBondContact CB-OD2 3.48Å; N696-D748 PolarHBondContact OD1-OD1 3.48Å; N696-D748 PolarHBondContact OD1-OD2 3.23Å; N696-D748 VanDerWaalsContact OD1-OD2 3.04Å; P746-D748 PolarHBondContact O-N 3.33Å; D748-L750 PolarHBondContact O-N 3.44Å; D748-N751 PolarHBondContact O-N 3.32Å
749	Y	85.5	Confident	89.8	Confident	128 Å²	128	46.8 Å²	46.8	50%	0.502	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-69.4	125.8	-178.6	-81.2	-118.2	0	0	0	110.6	P746 T747 N751 G752	P746-Y749 HydrophobicContact CB-CD2 4.06Å; P746-Y749 HydrophobicContact CB-CE2 4.4Å; P746-Y749 HydrophobicContact CG-CD2 4.26Å; P746-Y749 HydrophobicContact CG-CE2 4.23Å; P746-Y749 WeakPolarHBondContact O-CB 3.42Å; P746-Y749 PolarHBondContact O-N 3.38Å; P746-Y749 VanDerWaalsContact O-N 3.08Å; T747-Y749 PolarHBondContact O-N 3.23Å; Y749-N751 PolarHBondContact O-N 2.95Å; Y749-G752 PolarHBondContact O-N 2.94Å
750	L	87.1	Confident	89.8	Confident	133 Å²	133	46.6 Å²	46.6	70%	0.696	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	51.3	36.8	-176.4	-60.3	175.7	0	0	0	112.4	D748 G752 W753 A754	D748-L750 PolarHBondContact O-N 3.44Å; L750-G752 VanDerWaalsContact C-N 3.26Å; L750-G752 PolarHBondContact O-N 3.08Å; L750-W753 HydrophobicContact CB-CB 4.35Å; L750-W753 PolarHBondContact O-N 3Å; L750-A754 HydrophobicContact CB-CB 4.39Å; L750-A754 HydrophobicContact CD1-CB 4.22Å
751	N	85.2	Confident	89.8	Confident	99 Å²	99	45.9 Å²	45.9	53%	0.529	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	49.7	43.2	-178.2	-51.5	-29.9	0	0	0	113.4	I103 Q106 D748 Y749	I103-N751 WeakPolarHBondContact CG1-O 3.21Å; Q106-N751 PolarHBondContact NE2-O 3.41Å; D748-N751 PolarHBondContact O-N 3.32Å; Y749-N751 PolarHBondContact O-N 2.95Å
752	G	86.1	Confident	89.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	96.4	-19.3	176.2	0	0	0	0	0	115.1	T747 Y749 L750 A754 C755 F756	T747-G752 WeakPolarHBondContact O-CA 3.16Å; T747-G752 PolarHBondContact O-N 3.42Å; Y749-G752 PolarHBondContact O-N 2.94Å; L750-G752 VanDerWaalsContact C-N 3.26Å; L750-G752 PolarHBondContact O-N 3.08Å; G752-A754 PolarHBondContact O-N 2.68Å; G752-C755 PolarHBondContact O-N 2.64Å; G752-F756 WeakPolarHBondContact O-CB 3.43Å; G752-F756 PolarHBondContact O-N 2.82Å
753	W	89.9	Confident	90.1	Very high	108 Å²	108	47.4 Å²	47.4	41%	0.409	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-32.4	-174.1	-73.7	101.6	0	0	0	114.1	I103 L750 F756 I757	I103-W753 HydrophobicContact CD1-CD2 3.9Å; I103-W753 HydrophobicContact CD1-CE3 4.12Å; I103-W753 HydrophobicContact CD1-CG 4.24Å; I103-W753 HydrophobicContact CD1-CZ2 4.45Å; I103-W753 HydrophobicContact CD1-CZ3 4.49Å; I103-W753 HydrophobicContact CG1-CD2 4.41Å; I103-W753 HydrophobicContact CG1-CG 4.48Å; I103-W753 HydrophobicContact CG2-CZ2 3.87Å; L750-W753 HydrophobicContact CB-CB 4.35Å; L750-W753 PolarHBondContact O-N 3Å; W753-F756 HydrophobicContact CE3-CD1 4.3Å; W753-F756 HydrophobicContact CZ3-CD1 4.34Å; W753-F756 HydrophobicContact CZ3-CE1 4.47Å; W753-F756 PolarHBondContact O-N 3.3Å; W753-I757 WeakPolarHBondContact O-CG1 3.42Å; W753-I757 PolarHBondContact O-N 3.26Å; W753-I757 VanDerWaalsContact O-N 3.14Å
754	A	92.2	Very high	90.1	Very high	20 Å²	20	44.4 Å²	44.4	17%	0.165	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-48.3	176.5	0	0	0	0	0	111.2	P745 L750 G752 I757 V758	P745-A754 HydrophobicContact CB-CB 4.21Å; P745-A754 HydrophobicContact CG-CB 3.99Å; L750-A754 HydrophobicContact CB-CB 4.39Å; L750-A754 HydrophobicContact CD1-CB 4.22Å; G752-A754 PolarHBondContact O-N 2.68Å; A754-I757 PolarHBondContact O-N 2.85Å; A754-V758 WeakPolarHBondContact O-CG2 3.49Å; A754-V758 PolarHBondContact O-N 3.46Å
755	C	91.3	Very high	90.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-45.4	176	-174.8	0	0	0	0	110.7	A99 V744 P745 T747 G752 I757 V758 S759	A99-C755 HydrophobicContact CB-CB 3.85Å; V744-C755 HydrophobicContact CG1-CB 4.44Å; P745-C755 WeakPolarHBondContact O-CB 3.21Å; T747-C755 HydrophobicContact CG2-CB 4.32Å; G752-C755 PolarHBondContact O-N 2.64Å; C755-I757 PolarHBondContact O-N 3.34Å; C755-V758 PolarHBondContact O-N 3.27Å; C755-S759 VanDerWaalsContact O-CB 3.28Å; C755-S759 WeakPolarHBondContact O-CB 3.31Å; C755-S759 PolarHBondContact O-N 2.81Å; C755-S759 PolarHBondContact O-OG 2.87Å; C755-S759 VanDerWaalsContact O-OG 3.06Å
756	F	91.2	Very high	90.1	Very high	24 Å²	24	49 Å²	49	11%	0.105	26%	0.256	C	S	.	.	H	α-helix	trans	-53	-50.3	178.1	-176.5	-86.1	0	0	0	113	F96 A99 I100 I103 L136 G752 W753 I760	F96-F756 HydrophobicContact CD2-CD2 4.01Å; F96-F756 HydrophobicContact CD2-CE2 4.28Å; F96-F756 HydrophobicContact CD2-CG 4.47Å; F96-F756 HydrophobicContact CE2-CD1 4.29Å; F96-F756 AromaticContact CE2-CD2 3.36Å; F96-F756 HydrophobicContact CE2-CD2 3.36Å; F96-F756 HydrophobicContact CE2-CE1 4.2Å; F96-F756 AromaticContact CE2-CE2 3.25Å; F96-F756 HydrophobicContact CE2-CE2 3.25Å; F96-F756 AromaticContact CE2-CG 3.89Å; F96-F756 HydrophobicContact CE2-CG 3.89Å; F96-F756 AromaticContact CE2-CZ 3.7Å; F96-F756 HydrophobicContact CE2-CZ 3.7Å; F96-F756 HydrophobicContact CZ-CD2 4.11Å; F96-F756 AromaticContact CZ-CE2 3.53Å; F96-F756 HydrophobicContact CZ-CE2 3.53Å; F96-F756 AromaticContact CZ-CZ 3.85Å; F96-F756 HydrophobicContact CZ-CZ 3.85Å; A99-F756 HydrophobicContact CB-CB 4.13Å; I100-F756 HydrophobicContact CD1-CE2 4.26Å; I100-F756 HydrophobicContact CG1-CD2 3.9Å; I100-F756 HydrophobicContact CG1-CE2 3.81Å; I103-F756 HydrophobicContact CD1-CB 4.02Å; I103-F756 HydrophobicContact CD1-CD2 4.08Å; I103-F756 HydrophobicContact CD1-CG 4.23Å; L136-F756 HydrophobicContact CD2-CE2 4.45Å; G752-F756 WeakPolarHBondContact O-CB 3.43Å; G752-F756 PolarHBondContact O-N 2.82Å; W753-F756 HydrophobicContact CE3-CD1 4.3Å; W753-F756 HydrophobicContact CZ3-CD1 4.34Å; W753-F756 HydrophobicContact CZ3-CE1 4.47Å; W753-F756 PolarHBondContact O-N 3.3Å; F756-I760 WeakPolarHBondContact O-CB 3.39Å; F756-I760 WeakPolarHBondContact O-CG2 3.42Å; F756-I760 PolarHBondContact O-N 3.42Å; F756-I760 VanDerWaalsContact O-N 3.07Å
757	I	92.8	Very high	90.1	Very high	108 Å²	108	49.1 Å²	49.1	55%	0.554	26%	0.257	S	S	*	.	H	α-helix	trans	-70.9	-40.2	-176.5	-64.7	169.5	0	0	0	111.9	W753 A754 C755 I760 A761	W753-I757 WeakPolarHBondContact O-CG1 3.42Å; W753-I757 PolarHBondContact O-N 3.26Å; W753-I757 VanDerWaalsContact O-N 3.14Å; A754-I757 PolarHBondContact O-N 2.85Å; C755-I757 PolarHBondContact O-N 3.34Å; I757-I760 VanDerWaalsContact O-CG2 3.24Å; I757-I760 WeakPolarHBondContact O-CG2 3.42Å; I757-A761 PolarHBondContact O-N 3.46Å
758	V	93.9	Very high	90.4	Very high	57 Å²	57	49.3 Å²	49.3	35%	0.345	26%	0.259	S	S	.	.	H	α-helix	trans	-70.9	-43.2	179.6	176	0	0	0	0	110.5	V744 P745 A754 C755 A761 I762	V744-V758 HydrophobicContact CG1-CB 4.45Å; V744-V758 HydrophobicContact CG1-CG1 4.32Å; V744-V758 HydrophobicContact CG2-CG1 4.31Å; P745-V758 HydrophobicContact CG-CB 4.26Å; P745-V758 HydrophobicContact CG-CG2 3.94Å; A754-V758 WeakPolarHBondContact O-CG2 3.49Å; A754-V758 PolarHBondContact O-N 3.46Å; C755-V758 PolarHBondContact O-N 3.27Å; V758-A761 PolarHBondContact O-N 3.26Å; V758-I762 HydrophobicContact CG1-CD1 3.94Å; V758-I762 WeakPolarHBondContact O-CG1 3.35Å; V758-I762 PolarHBondContact O-N 2.72Å; V758-I762 VanDerWaalsContact O-N 3.09Å
759	S	92.9	Very high	90.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-43	178	-64.2	0	0	0	0	112.5	V744 C755 A761 I762 I763	V744-S759 WeakPolarHBondContact CG1-OG 3.42Å; C755-S759 VanDerWaalsContact O-CB 3.28Å; C755-S759 WeakPolarHBondContact O-CB 3.31Å; C755-S759 PolarHBondContact O-N 2.81Å; C755-S759 PolarHBondContact O-OG 2.87Å; C755-S759 VanDerWaalsContact O-OG 3.06Å; S759-A761 VanDerWaalsContact C-N 3.3Å; S759-A761 PolarHBondContact O-N 2.96Å; S759-I762 PolarHBondContact O-N 3.05Å; S759-I763 VanDerWaalsContact O-CG1 3.24Å; S759-I763 WeakPolarHBondContact O-CG1 3.4Å; S759-I763 PolarHBondContact O-N 3.34Å
760	I	91.4	Very high	91	Very high	49 Å²	49	41.5 Å²	41.5	25%	0.251	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-35.9	178.7	-161.9	171.8	0	0	0	111.9	F96 L147 F756 I757 I763 G764	F96-I760 HydrophobicContact CE2-CB 4.04Å; F96-I760 HydrophobicContact CE2-CD1 4.48Å; F96-I760 HydrophobicContact CE2-CG1 4.48Å; F96-I760 HydrophobicContact CZ-CD1 4.3Å; L147-I760 HydrophobicContact CD1-CG1 3.86Å; L147-I760 HydrophobicContact CD2-CG1 4.48Å; F756-I760 WeakPolarHBondContact O-CB 3.39Å; F756-I760 WeakPolarHBondContact O-CG2 3.42Å; F756-I760 PolarHBondContact O-N 3.42Å; F756-I760 VanDerWaalsContact O-N 3.07Å; I757-I760 VanDerWaalsContact O-CG2 3.24Å; I757-I760 WeakPolarHBondContact O-CG2 3.42Å; I760-I763 PolarHBondContact O-N 3.23Å; I760-G764 PolarHBondContact O-N 3.31Å
761	A	92.6	Very high	91.1	Very high	65 Å²	65	35.5 Å²	35.5	54%	0.537	20%	0.197	S	C	.	.	H	α-helix	trans	-66.1	-43	175.5	0	0	0	0	0	112.1	I757 V758 S759 G764 L765	I757-A761 PolarHBondContact O-N 3.46Å; V758-A761 PolarHBondContact O-N 3.26Å; S759-A761 VanDerWaalsContact C-N 3.3Å; S759-A761 PolarHBondContact O-N 2.96Å; A761-G764 PolarHBondContact O-N 2.81Å; A761-L765 PolarHBondContact O-N 3.11Å
762	I	93.6	Very high	91.3	Very high	44 Å²	44	31.1 Å²	31.1	23%	0.226	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-43	176.4	-65.7	169.8	0	0	0	110.8	I92 F741 V744 V758 S759 G764 L765 L766	I92-I762 HydrophobicContact CD1-CB 4.43Å; I92-I762 HydrophobicContact CD1-CD1 4.29Å; I92-I762 HydrophobicContact CD1-CG2 4.3Å; I92-I762 HydrophobicContact CG1-CB 4.14Å; I92-I762 HydrophobicContact CG1-CG2 3.9Å; F741-I762 HydrophobicContact CD1-CG2 4.17Å; F741-I762 HydrophobicContact CE1-CG2 3.61Å; F741-I762 HydrophobicContact CZ-CG2 4.42Å; V744-I762 HydrophobicContact CG2-CD1 3.75Å; V758-I762 HydrophobicContact CG1-CD1 3.94Å; V758-I762 WeakPolarHBondContact O-CG1 3.35Å; V758-I762 PolarHBondContact O-N 2.72Å; V758-I762 VanDerWaalsContact O-N 3.09Å; S759-I762 PolarHBondContact O-N 3.05Å; I762-G764 VanDerWaalsContact C-N 3.27Å; I762-G764 PolarHBondContact O-N 3.38Å; I762-L765 PolarHBondContact O-N 3.47Å; I762-L766 HydrophobicContact CG2-CD1 3.98Å; I762-L766 HydrophobicContact CG2-CG 4.29Å; I762-L766 WeakPolarHBondContact O-CG 3.39Å; I762-L766 PolarHBondContact O-N 3.23Å
763	I	92.1	Very high	91.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-44.3	173.8	-67.6	163.5	0	0	0	109.8	I92 F96 P144 L147 S759 I760 L765 L766 T767	I92-I763 HydrophobicContact CB-CG1 4.4Å; I92-I763 HydrophobicContact CG1-CG1 4.02Å; I92-I763 HydrophobicContact CG2-CG1 3.58Å; F96-I763 HydrophobicContact CB-CD1 3.83Å; F96-I763 HydrophobicContact CD1-CD1 4.04Å; F96-I763 HydrophobicContact CG-CD1 3.95Å; P144-I763 HydrophobicContact CB-CG2 4.44Å; P144-I763 HydrophobicContact CG-CG2 4.09Å; L147-I763 HydrophobicContact CD1-CB 4.07Å; L147-I763 HydrophobicContact CD1-CG2 3.67Å; S759-I763 VanDerWaalsContact O-CG1 3.24Å; S759-I763 WeakPolarHBondContact O-CG1 3.4Å; S759-I763 PolarHBondContact O-N 3.34Å; I760-I763 PolarHBondContact O-N 3.23Å; I763-L765 PolarHBondContact O-N 2.79Å; I763-L766 PolarHBondContact O-N 3.46Å; I763-T767 HydrophobicContact CG2-CG2 3.98Å; I763-T767 VanDerWaalsContact O-CB 3.32Å; I763-T767 WeakPolarHBondContact O-CB 3.28Å; I763-T767 WeakPolarHBondContact O-CG2 3.47Å; I763-T767 PolarHBondContact O-N 3.21Å; I763-T767 PolarHBondContact O-OG1 3.29Å
764	G	91	Very high	91.5	Very high	8 Å²	8	26.6 Å²	26.6	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-57.4	-46.3	175.5	0	0	0	0	0	112.5	I151 I760 A761 I762 T767 A768	I151-G764 WeakPolarHBondContact CD1-O 3.39Å; I760-G764 PolarHBondContact O-N 3.31Å; A761-G764 PolarHBondContact O-N 2.81Å; I762-G764 VanDerWaalsContact C-N 3.27Å; I762-G764 PolarHBondContact O-N 3.38Å; G764-T767 WeakPolarHBondContact CA-OG1 3.46Å; G764-T767 PolarHBondContact O-N 3.12Å; G764-T767 PolarHBondContact O-OG1 2.88Å; G764-A768 WeakPolarHBondContact O-CB 3.23Å; G764-A768 PolarHBondContact O-N 3.47Å
765	L	91.9	Very high	91.2	Very high	104 Å²	104	26.8 Å²	26.8	55%	0.545	16%	0.157	S	C	.	.	H	α-helix	trans	-62.8	-47	177.3	-179	64.2	0	0	0	112.4	I57 A761 I762 I763 T767 A768 V769	I57-L765 HydrophobicContact CD1-CD1 3.92Å; A761-L765 PolarHBondContact O-N 3.11Å; I762-L765 PolarHBondContact O-N 3.47Å; I763-L765 PolarHBondContact O-N 2.79Å; L765-T767 VanDerWaalsContact C-N 3.35Å; L765-T767 PolarHBondContact O-N 3.17Å; L765-A768 WeakPolarHBondContact O-CB 3.33Å; L765-A768 PolarHBondContact O-N 3.44Å; L765-V769 WeakPolarHBondContact O-CG2 3.32Å; L765-V769 PolarHBondContact O-N 2.8Å
766	L	92.4	Very high	91	Very high	14 Å²	14	27 Å²	27	7%	0.073	16%	0.158	C	C	.	.	H	α-helix	trans	-67.2	-37.2	-179.2	-64	173.2	0	0	0	111.9	M85 V89 I92 W737 F741 I762 I763 V769 I770	M85-L766 HydrophobicContact CE-CB 4.16Å; M85-L766 HydrophobicContact CE-CD2 3.42Å; M85-L766 VanDerWaalsContact CE-CD2 3.42Å; M85-L766 HydrophobicContact CE-CG 4.37Å; V89-L766 HydrophobicContact CG2-CB 3.6Å; V89-L766 HydrophobicContact CG2-CD1 4.1Å; I92-L766 HydrophobicContact CG2-CD1 3.85Å; W737-L766 HydrophobicContact CH2-CD2 3.73Å; W737-L766 HydrophobicContact CZ3-CD2 3.75Å; F741-L766 HydrophobicContact CE1-CD1 4.19Å; F741-L766 HydrophobicContact CZ-CD1 3.68Å; I762-L766 HydrophobicContact CG2-CD1 3.98Å; I762-L766 HydrophobicContact CG2-CG 4.29Å; I762-L766 WeakPolarHBondContact O-CG 3.39Å; I762-L766 PolarHBondContact O-N 3.23Å; I763-L766 PolarHBondContact O-N 3.46Å; L766-V769 PolarHBondContact O-N 3.07Å; L766-I770 VanDerWaalsContact O-CG1 3.32Å; L766-I770 WeakPolarHBondContact O-CG1 3.21Å; L766-I770 PolarHBondContact O-N 2.93Å
767	T	89.9	Confident	90.8	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-69.3	-35.8	178.3	50.7	0	0	0	0	112.2	V89 P144 I763 G764 L765 V769 I770 G771	V89-T767 HydrophobicContact CG2-CG2 4.48Å; P144-T767 HydrophobicContact CB-CG2 3.71Å; I763-T767 HydrophobicContact CG2-CG2 3.98Å; I763-T767 VanDerWaalsContact O-CB 3.32Å; I763-T767 WeakPolarHBondContact O-CB 3.28Å; I763-T767 WeakPolarHBondContact O-CG2 3.47Å; I763-T767 PolarHBondContact O-N 3.21Å; I763-T767 PolarHBondContact O-OG1 3.29Å; G764-T767 WeakPolarHBondContact CA-OG1 3.46Å; G764-T767 PolarHBondContact O-N 3.12Å; G764-T767 PolarHBondContact O-OG1 2.88Å; L765-T767 VanDerWaalsContact C-N 3.35Å; L765-T767 PolarHBondContact O-N 3.17Å; T767-V769 VanDerWaalsContact C-N 3.34Å; T767-I770 PolarHBondContact O-N 3.42Å; T767-G771 PolarHBondContact O-N 2.93Å
768	A	90.4	Very high	90.4	Very high	6 Å²	6	21 Å²	21	5%	0.05	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-45.9	169.9	0	0	0	0	0	111.6	I57 I151 G764 L765 I770 G771 D772	I57-A768 HydrophobicContact CD1-CB 3.42Å; I57-A768 VanDerWaalsContact CD1-CB 3.42Å; I57-A768 HydrophobicContact CG1-CB 4.31Å; I151-A768 HydrophobicContact CD1-CB 4.38Å; I151-A768 HydrophobicContact CG2-CB 3.88Å; G764-A768 WeakPolarHBondContact O-CB 3.23Å; G764-A768 PolarHBondContact O-N 3.47Å; L765-A768 WeakPolarHBondContact O-CB 3.33Å; L765-A768 PolarHBondContact O-N 3.44Å; A768-I770 VanDerWaalsContact C-N 3.35Å; A768-I770 PolarHBondContact O-N 3.47Å; A768-G771 PolarHBondContact O-N 3.21Å; A768-D772 PolarHBondContact O-N 3.06Å; A768-D772 VanDerWaalsContact O-N 3.11Å
769	V	92.1	Very high	89.9	Confident	25 Å²	25	19.2 Å²	19.2	15%	0.152	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-39.8	176	175.5	0	0	0	0	111.5	I57 L58 M85 L765 L766 T767 D772 L773	I57-V769 HydrophobicContact CD1-CG2 4.03Å; I57-V769 HydrophobicContact CG2-CG2 4.34Å; L58-V769 HydrophobicContact CD1-CG1 3.97Å; M85-V769 HydrophobicContact CE-CB 3.87Å; M85-V769 HydrophobicContact CE-CG1 3.66Å; M85-V769 HydrophobicContact SD-CG1 4.4Å; L765-V769 WeakPolarHBondContact O-CG2 3.32Å; L765-V769 PolarHBondContact O-N 2.8Å; L766-V769 PolarHBondContact O-N 3.07Å; T767-V769 VanDerWaalsContact C-N 3.34Å; V769-D772 PolarHBondContact O-N 3.35Å; V769-L773 HydrophobicContact CG1-CD1 4.03Å; V769-L773 HydrophobicContact CG1-CG 4.33Å; V769-L773 WeakPolarHBondContact O-CB 3.38Å; V769-L773 VanDerWaalsContact O-CG 3.29Å; V769-L773 WeakPolarHBondContact O-CG 3.29Å; V769-L773 PolarHBondContact O-N 3.48Å
770	I	91	Very high	89.4	Confident	4 Å²	4	21 Å²	21	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-41.6	175.5	-72.5	165.1	0	0	0	111.2	M85 F86 V89 L766 T767 A768 D772 L773 A774 V793	M85-I770 HydrophobicContact CB-CD1 4.03Å; M85-I770 HydrophobicContact CB-CG1 3.6Å; F86-I770 HydrophobicContact CD1-CD1 3.82Å; F86-I770 HydrophobicContact CE1-CD1 3.89Å; F86-I770 HydrophobicContact CE1-CG2 3.62Å; F86-I770 HydrophobicContact CE2-CG2 4.45Å; F86-I770 HydrophobicContact CZ-CG2 3.55Å; V89-I770 HydrophobicContact CB-CD1 4.36Å; V89-I770 HydrophobicContact CG2-CD1 3.43Å; V89-I770 VanDerWaalsContact CG2-CD1 3.43Å; L766-I770 VanDerWaalsContact O-CG1 3.32Å; L766-I770 WeakPolarHBondContact O-CG1 3.21Å; L766-I770 PolarHBondContact O-N 2.93Å; T767-I770 PolarHBondContact O-N 3.42Å; A768-I770 VanDerWaalsContact C-N 3.35Å; A768-I770 PolarHBondContact O-N 3.47Å; I770-D772 VanDerWaalsContact C-N 3.32Å; I770-D772 PolarHBondContact O-N 2.89Å; I770-L773 PolarHBondContact O-N 3.05Å; I770-A774 VanDerWaalsContact O-CB 3.25Å; I770-A774 WeakPolarHBondContact O-CB 3.35Å; I770-A774 PolarHBondContact O-N 3.11Å; I770-V793 HydrophobicContact CG2-CG1 4.39Å
771	G	88.4	Confident	89	Confident	7 Å²	7	21.9 Å²	21.9	7%	0.072	13%	0.133	C	C	.	.	H	α-helix	trans	-57.2	-46.5	175.8	0	0	0	0	0	111.8	T767 A768 A774 S775	T767-G771 PolarHBondContact O-N 2.93Å; A768-G771 PolarHBondContact O-N 3.21Å; G771-A774 PolarHBondContact O-N 3.46Å; G771-S775 PolarHBondContact O-N 3.27Å
772	D	89.8	Confident	88.3	Confident	7 Å²	7	20.6 Å²	20.6	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-64.7	-46.6	176.6	-68.5	-13	0	0	0	112.4	G55 I56 I57 L58 A768 V769 I770 A774 S775 H776	G55-D772 WeakPolarHBondContact CA-OD1 3.49Å; I56-D772 VanDerWaalsContact N-CG 3.33Å; I56-D772 PolarHBondContact N-OD1 3.49Å; I56-D772 PolarHBondContact N-OD2 3.11Å; I57-D772 WeakPolarHBondContact CA-OD2 3.45Å; I57-D772 WeakPolarHBondContact CB-OD2 3.35Å; I57-D772 PolarHBondContact N-OD2 3.48Å; L58-D772 HydrophobicContact CB-CB 4.04Å; L58-D772 HydrophobicContact CD1-CB 4.27Å; L58-D772 HydrophobicContact CG-CB 4.36Å; L58-D772 PolarHBondContact N-OD2 3.01Å; A768-D772 PolarHBondContact O-N 3.06Å; A768-D772 VanDerWaalsContact O-N 3.11Å; V769-D772 PolarHBondContact O-N 3.35Å; I770-D772 VanDerWaalsContact C-N 3.32Å; I770-D772 PolarHBondContact O-N 2.89Å; D772-A774 VanDerWaalsContact C-N 3.27Å; D772-A774 PolarHBondContact O-N 2.89Å; D772-S775 PolarHBondContact O-N 2.89Å; D772-H776 WeakPolarHBondContact O-CB 3.37Å; D772-H776 PolarHBondContact O-CD2 3.19Å; D772-H776 PolarHBondContact O-N 3.05Å
773	L	90.6	Very high	87.7	Confident	13 Å²	13	19.2 Å²	19.2	7%	0.068	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-38.9	177.7	-72.2	173.6	0	0	0	111.5	L58 Y78 A81 M85 V769 I770 F777	L58-L773 HydrophobicContact CD1-CD2 3.66Å; L58-L773 HydrophobicContact CD1-CG 3.83Å; Y78-L773 HydrophobicContact CD1-CD2 3.8Å; Y78-L773 HydrophobicContact CE1-CD2 4.22Å; A81-L773 HydrophobicContact CB-CD1 4.16Å; A81-L773 HydrophobicContact CB-CD2 4.27Å; M85-L773 HydrophobicContact CB-CD1 4.49Å; M85-L773 HydrophobicContact CG-CD1 3.73Å; V769-L773 HydrophobicContact CG1-CD1 4.03Å; V769-L773 HydrophobicContact CG1-CG 4.33Å; V769-L773 WeakPolarHBondContact O-CB 3.38Å; V769-L773 VanDerWaalsContact O-CG 3.29Å; V769-L773 WeakPolarHBondContact O-CG 3.29Å; V769-L773 PolarHBondContact O-N 3.48Å; I770-L773 PolarHBondContact O-N 3.05Å; L773-F777 WeakPolarHBondContact O-CB 3.25Å; L773-F777 PolarHBondContact O-N 3.28Å
774	A	89.1	Confident	87.2	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-45.8	177.3	0	0	0	0	0	111.5	M82 L163 I770 G771 D772 F777 G778 T788 V793	M82-A774 HydrophobicContact SD-CB 4.49Å; L163-A774 HydrophobicContact CD2-CB 4.43Å; I770-A774 VanDerWaalsContact O-CB 3.25Å; I770-A774 WeakPolarHBondContact O-CB 3.35Å; I770-A774 PolarHBondContact O-N 3.11Å; G771-A774 PolarHBondContact O-N 3.46Å; D772-A774 VanDerWaalsContact C-N 3.27Å; D772-A774 PolarHBondContact O-N 2.89Å; A774-F777 PolarHBondContact O-N 3.44Å; A774-G778 PolarHBondContact O-N 2.71Å; A774-T788 HydrophobicContact CB-CG2 4.29Å; A774-T788 WeakPolarHBondContact O-CG2 3.41Å; A774-V793 HydrophobicContact CB-CG2 3.43Å; A774-V793 VanDerWaalsContact CB-CG2 3.43Å
775	S	85.9	Confident	86.8	Confident	24 Å²	24	24.7 Å²	24.7	17%	0.168	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-42.3	176.7	-174.5	0	0	0	0	111.7	G771 D772 G778 C779 D785	G771-S775 PolarHBondContact O-N 3.27Å; D772-S775 PolarHBondContact O-N 2.89Å; S775-G778 PolarHBondContact O-N 3.31Å; S775-C779 WeakPolarHBondContact O-CB 3.42Å; S775-C779 PolarHBondContact O-N 2.97Å; S775-D785 PolarHBondContact OG-OD1 3.36Å
776	H	87.2	Confident	86.4	Confident	4 Å²	4	20 Å²	20	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-65.7	-40.4	175.7	-68.2	-44	0	0	0	112.5	Q53 L58 Y78 D772 C779 T780	Q53-H776 PolarHBondContact O-CE1 3.4Å; L58-H776 PolarHBondContact O-NE2 3.22Å; Y78-H776 HydrophobicContact CD1-CB 4.29Å; Y78-H776 HydrophobicContact CE1-CB 3.82Å; Y78-H776 HydrophobicContact CE2-CB 4.13Å; D772-H776 WeakPolarHBondContact O-CB 3.37Å; D772-H776 PolarHBondContact O-CD2 3.19Å; D772-H776 PolarHBondContact O-N 3.05Å; H776-C779 PolarHBondContact O-N 3.41Å; H776-T780 WeakPolarHBondContact O-CG2 3.26Å; H776-T780 PolarHBondContact O-N 3.03Å; H776-T780 PolarHBondContact O-OG1 3.02Å
777	F	87.9	Confident	86	Confident	7 Å²	7	19.7 Å²	19.7	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-47.7	173.1	173.4	-99	0	0	0	111.5	V75 F79 L773 A774 T780 I781 T788 F792	V75-F777 HydrophobicContact CG1-CD2 4.42Å; V75-F777 HydrophobicContact CG1-CE2 3.86Å; F79-F777 HydrophobicContact CB-CD2 4.25Å; F79-F777 HydrophobicContact CB-CE2 3.82Å; F79-F777 AromaticContact CD2-CE2 3.9Å; F79-F777 HydrophobicContact CD2-CE2 3.9Å; F79-F777 AromaticContact CD2-CZ 3.97Å; F79-F777 HydrophobicContact CD2-CZ 3.97Å; F79-F777 HydrophobicContact CG-CE2 4.29Å; L773-F777 WeakPolarHBondContact O-CB 3.25Å; L773-F777 PolarHBondContact O-N 3.28Å; A774-F777 PolarHBondContact O-N 3.44Å; F777-T780 PolarHBondContact O-N 3.2Å; F777-T780 PolarHBondContact O-OG1 3.36Å; F777-I781 HydrophobicContact CD1-CD1 4.18Å; F777-I781 HydrophobicContact CD2-CD1 4.02Å; F777-I781 HydrophobicContact CE1-CD1 3.61Å; F777-I781 HydrophobicContact CE2-CD1 3.44Å; F777-I781 VanDerWaalsContact CE2-CD1 3.44Å; F777-I781 HydrophobicContact CG-CD1 4.38Å; F777-I781 HydrophobicContact CZ-CD1 3.21Å; F777-I781 WeakPolarHBondContact O-CG1 3.18Å; F777-I781 PolarHBondContact O-N 3.42Å; F777-T788 HydrophobicContact CD1-CG2 4.03Å; F777-F792 AromaticContact CE1-CD2 3.78Å; F777-F792 HydrophobicContact CE1-CD2 3.78Å; F777-F792 AromaticContact CE1-CE2 3.71Å; F777-F792 HydrophobicContact CE1-CE2 3.71Å; F777-F792 HydrophobicContact CE1-CG 4.23Å; F777-F792 HydrophobicContact CE1-CZ 4.11Å; F777-F792 HydrophobicContact CZ-CE2 4.33Å; F777-F792 HydrophobicContact CZ-CZ 4.27Å
778	G	84.6	Confident	85.9	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-49.3	176.9	0	0	0	0	0	111.3	A774 S775 T780 I781 G782 L783 T788	A774-G778 PolarHBondContact O-N 2.71Å; S775-G778 PolarHBondContact O-N 3.31Å; G778-T780 PolarHBondContact O-N 3.16Å; G778-I781 PolarHBondContact O-N 3.44Å; G778-G782 PolarHBondContact O-N 3.24Å; G778-L783 CarbonylContact C-O 3.49Å; G778-L783 PolarHBondContact O-N 2.93Å; G778-T788 WeakPolarHBondContact CA-OG1 3.23Å
779	C	83.1	Confident	85.8	Confident	20 Å²	20	19.2 Å²	19.2	14%	0.135	12%	0.115	C	C	.	.	H	α-helix	trans	-61.4	-41.8	179.7	-165.6	0	0	0	0	113.1	C52 S775 H776 I781 G782	C52-C779 WeakPolarHBondContact CA-SG 3.35Å; C52-C779 HydrophobicContact CB-CB 4Å; C52-C779 WeakPolarHBondContact CB-SG 3.48Å; C52-C779 PolarHBondContact N-SG 2.9Å; C52-C779 VanDerWaalsContact N-SG 3.36Å; C52-C779 WeakPolarHBondContact SG-CB 3.18Å; C52-C779 CovalentContact SG-SG 2.03Å; C52-C779 PolarHBondContact SG-SG 3.21Å; S775-C779 WeakPolarHBondContact O-CB 3.42Å; S775-C779 PolarHBondContact O-N 2.97Å; H776-C779 PolarHBondContact O-N 3.41Å; C779-I781 VanDerWaalsContact C-N 3.32Å; C779-I781 PolarHBondContact O-N 3.47Å; C779-G782 PolarHBondContact O-N 3.44Å
780	T	82	Confident	85.5	Confident	36 Å²	36	18.6 Å²	18.6	22%	0.221	11%	0.111	C	C	.	.	H	α-helix	trans	-67.2	-29.8	-180	48.6	0	0	0	0	113.9	Y78 H776 F777 G778	Y78-T780 HydrophobicContact CD2-CG2 4.27Å; Y78-T780 HydrophobicContact CE2-CG2 3.92Å; H776-T780 WeakPolarHBondContact O-CG2 3.26Å; H776-T780 PolarHBondContact O-N 3.03Å; H776-T780 PolarHBondContact O-OG1 3.02Å; F777-T780 PolarHBondContact O-N 3.2Å; F777-T780 PolarHBondContact O-OG1 3.36Å; G778-T780 PolarHBondContact O-N 3.16Å
781	I	83.2	Confident	85.3	Confident	68 Å²	68	19 Å²	19	35%	0.349	11%	0.114	S	C	.	.	H	α-helix	trans	-84.5	-26.2	174.3	-61.3	177	0	0	0	111.6	V75 F777 G778 C779 L783	V75-I781 HydrophobicContact CB-CG1 4.49Å; V75-I781 HydrophobicContact CG1-CD1 3.87Å; V75-I781 HydrophobicContact CG1-CG1 4.04Å; V75-I781 HydrophobicContact CG2-CD1 4.31Å; V75-I781 HydrophobicContact CG2-CG1 3.58Å; F777-I781 HydrophobicContact CD1-CD1 4.18Å; F777-I781 HydrophobicContact CD2-CD1 4.02Å; F777-I781 HydrophobicContact CE1-CD1 3.61Å; F777-I781 HydrophobicContact CE2-CD1 3.44Å; F777-I781 VanDerWaalsContact CE2-CD1 3.44Å; F777-I781 HydrophobicContact CG-CD1 4.38Å; F777-I781 HydrophobicContact CZ-CD1 3.21Å; F777-I781 WeakPolarHBondContact O-CG1 3.18Å; F777-I781 PolarHBondContact O-N 3.42Å; G778-I781 PolarHBondContact O-N 3.44Å; C779-I781 VanDerWaalsContact C-N 3.32Å; C779-I781 PolarHBondContact O-N 3.47Å; I781-L783 HydrophobicContact CB-CD1 4.39Å; I781-L783 HydrophobicContact CB-CG 4.07Å; I781-L783 HydrophobicContact CD1-CD1 4.36Å; I781-L783 HydrophobicContact CG2-CD1 4.09Å; I781-L783 HydrophobicContact CG2-CD2 4.26Å; I781-L783 HydrophobicContact CG2-CG 3.72Å
782	G	77	Confident	85.3	Confident	38 Å²	38	19.7 Å²	19.7	39%	0.392	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	24.6	-168.9	0	0	0	0	0	113.1	G778 C779 Y919	G778-G782 PolarHBondContact O-N 3.24Å; C779-G782 PolarHBondContact O-N 3.44Å; G782-Y919 PolarHBondContact O-OH 3.11Å
783	L	81.8	Confident	85.3	Confident	15 Å²	15	19.4 Å²	19.4	8%	0.079	11%	0.113	C	C	.	.			trans	-82.8	140.7	170.8	-59.7	177.3	0	0	0	110.6	G778 I781 T788 F792 Y919	G778-L783 CarbonylContact C-O 3.49Å; G778-L783 PolarHBondContact O-N 2.93Å; I781-L783 HydrophobicContact CB-CD1 4.39Å; I781-L783 HydrophobicContact CB-CG 4.07Å; I781-L783 HydrophobicContact CD1-CD1 4.36Å; I781-L783 HydrophobicContact CG2-CD1 4.09Å; I781-L783 HydrophobicContact CG2-CD2 4.26Å; I781-L783 HydrophobicContact CG2-CG 3.72Å; L783-T788 WeakPolarHBondContact CB-OG1 3.22Å; L783-F792 HydrophobicContact CD1-CE2 4.01Å; L783-Y919 WeakPolarHBondContact CA-OH 3.22Å; L783-Y919 WeakPolarHBondContact CD2-OH 3.3Å
784	K	82.2	Confident	85.2	Confident	68 Å²	68	18.8 Å²	18.8	30%	0.296	11%	0.11	S	C	.	.			trans	-67.1	148.4	168	-70.7	-171.4	172.7	-170.1	0	109.8	S786 V787 T788 A918	K784-S786 VanDerWaalsContact C-N 3.28Å; K784-S786 PolarHBondContact O-N 2.99Å; K784-V787 HydrophobicContact CB-CG2 4.35Å; K784-V787 PolarHBondContact O-N 2.77Å; K784-V787 VanDerWaalsContact O-N 3.09Å; K784-T788 PolarHBondContact O-N 3.23Å; K784-T788 PolarHBondContact O-OG1 3.25Å; K784-T788 VanDerWaalsContact O-OG1 3.1Å; K784-A918 HydrophobicContact CD-CB 4.42Å; K784-A918 WeakPolarHBondContact CD-O 3.03Å; K784-A918 WeakPolarHBondContact CE-O 3.48Å; K784-A918 PolarHBondContact NZ-O 2.86Å
785	D	83.1	Confident	85.1	Confident	56 Å²	56	20.2 Å²	20.2	30%	0.299	12%	0.118	S	C	.	.	H	α-helix	trans	-59.1	-40.4	180	-72.1	-19.5	0	0	0	111.5	L163 S775 V787 T788 A789	L163-D785 HydrophobicContact CD1-CB 4.08Å; L163-D785 WeakPolarHBondContact CD1-O 3.45Å; S775-D785 PolarHBondContact OG-OD1 3.36Å; D785-V787 PolarHBondContact O-N 3.37Å; D785-T788 PolarHBondContact O-N 2.99Å; D785-A789 VanDerWaalsContact O-CB 3.29Å; D785-A789 WeakPolarHBondContact O-CB 3.09Å; D785-A789 PolarHBondContact O-N 3.42Å
786	S	82.3	Confident	85.2	Confident	6 Å²	6	19.4 Å²	19.4	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-56.8	-41	173.6	39	0	0	0	0	113.8	E162 K784 V790	E162-S786 PolarHBondContact OE2-OG 3.42Å; K784-S786 VanDerWaalsContact C-N 3.28Å; K784-S786 PolarHBondContact O-N 2.99Å; S786-V790 VanDerWaalsContact O-CG2 3.31Å; S786-V790 WeakPolarHBondContact O-CG2 3.48Å; S786-V790 PolarHBondContact O-N 3.5Å; S786-V790 VanDerWaalsContact O-N 3.16Å
787	V	85.5	Confident	85.1	Confident	6 Å²	6	19.6 Å²	19.6	4%	0.036	12%	0.115	C	C	.	.	H	α-helix	trans	-72.5	-42.5	177.2	179.7	0	0	0	0	110.8	K784 D785 A789 V790 V791 A918 Y919	K784-V787 HydrophobicContact CB-CG2 4.35Å; K784-V787 PolarHBondContact O-N 2.77Å; K784-V787 VanDerWaalsContact O-N 3.09Å; D785-V787 PolarHBondContact O-N 3.37Å; V787-A789 VanDerWaalsContact C-N 3.3Å; V787-A789 PolarHBondContact O-N 3.16Å; V787-V790 PolarHBondContact O-N 3.28Å; V787-V791 HydrophobicContact CG1-CG2 4.3Å; V787-V791 WeakPolarHBondContact O-CB 3.42Å; V787-V791 WeakPolarHBondContact O-CG2 3.44Å; V787-V791 PolarHBondContact O-N 2.95Å; V787-A918 HydrophobicContact CG2-CB 3.61Å; V787-Y919 HydrophobicContact CG2-CE2 4.18Å
788	T	87.7	Confident	85.1	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-41.1	178	-54.1	0	0	0	0	111.5	A774 F777 G778 L783 K784 D785 F792 V793	A774-T788 HydrophobicContact CB-CG2 4.29Å; A774-T788 WeakPolarHBondContact O-CG2 3.41Å; F777-T788 HydrophobicContact CD1-CG2 4.03Å; G778-T788 WeakPolarHBondContact CA-OG1 3.23Å; L783-T788 WeakPolarHBondContact CB-OG1 3.22Å; K784-T788 PolarHBondContact O-N 3.23Å; K784-T788 PolarHBondContact O-OG1 3.25Å; K784-T788 VanDerWaalsContact O-OG1 3.1Å; D785-T788 PolarHBondContact O-N 2.99Å; T788-F792 HydrophobicContact CG2-CD2 4.3Å; T788-F792 PolarHBondContact O-N 3.38Å; T788-V793 PolarHBondContact O-N 2.76Å
789	A	87.5	Confident	85	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-60.5	-52.7	174.5	0	0	0	0	0	112.5	L163 T167 D785 V787 V791 V793 A794	L163-A789 HydrophobicContact CD1-CB 3.85Å; L163-A789 HydrophobicContact CG-CB 4.12Å; L163-A789 WeakPolarHBondContact O-CB 3.3Å; T167-A789 WeakPolarHBondContact OG1-CB 3.36Å; D785-A789 VanDerWaalsContact O-CB 3.29Å; D785-A789 WeakPolarHBondContact O-CB 3.09Å; D785-A789 PolarHBondContact O-N 3.42Å; V787-A789 VanDerWaalsContact C-N 3.3Å; V787-A789 PolarHBondContact O-N 3.16Å; A789-V791 VanDerWaalsContact C-N 3.35Å; A789-V791 PolarHBondContact O-N 3.26Å; A789-V793 PolarHBondContact O-N 3.02Å; A789-A794 VanDerWaalsContact O-CB 3.31Å; A789-A794 WeakPolarHBondContact O-CB 3.36Å; A789-A794 PolarHBondContact O-N 3.37Å
790	V	86.3	Confident	84.7	Confident	11 Å²	11	20 Å²	20	7%	0.067	12%	0.117	C	C	.	.	I	π-helix	trans	-65.8	-35.2	-175.9	170.9	0	0	0	0	112.6	S786 V787 A794 Y910 I911	S786-V790 VanDerWaalsContact O-CG2 3.31Å; S786-V790 WeakPolarHBondContact O-CG2 3.48Å; S786-V790 PolarHBondContact O-N 3.5Å; S786-V790 VanDerWaalsContact O-N 3.16Å; V787-V790 PolarHBondContact O-N 3.28Å; V790-A794 WeakPolarHBondContact O-CB 3.45Å; V790-Y910 HydrophobicContact CG1-CD1 4.45Å; V790-Y910 HydrophobicContact CG1-CE1 3.64Å; V790-I911 HydrophobicContact CG1-CG1 4.46Å
791	V	85.6	Confident	84.7	Confident	14 Å²	14	18.4 Å²	18.4	9%	0.085	11%	0.107	C	C	.	.	I	π-helix	trans	-91.7	-47.1	-173.4	178.7	0	0	0	0	112.6	V787 A789 L795 I911	V787-V791 HydrophobicContact CG1-CG2 4.3Å; V787-V791 WeakPolarHBondContact O-CB 3.42Å; V787-V791 WeakPolarHBondContact O-CG2 3.44Å; V787-V791 PolarHBondContact O-N 2.95Å; A789-V791 VanDerWaalsContact C-N 3.35Å; A789-V791 PolarHBondContact O-N 3.26Å; V791-L795 VanDerWaalsContact O-CB 3.23Å; V791-L795 WeakPolarHBondContact O-CB 3.5Å; V791-I911 HydrophobicContact CG2-CD1 4.43Å; V791-I911 HydrophobicContact CG2-CG1 4.47Å; V791-I911 HydrophobicContact CG2-CG2 3.72Å
792	F	88.7	Confident	84.9	Confident	21 Å²	21	15.8 Å²	15.8	9%	0.092	9%	0.094	C	C	.	.	I	π-helix	trans	-103.5	-47	-169.4	-63.5	-74	0	0	0	112.6	F79 M82 F777 L783 T788 G796	F79-F792 HydrophobicContact CE2-CD1 4.26Å; F79-F792 HydrophobicContact CE2-CE1 4.2Å; M82-F792 HydrophobicContact CE-CB 3.94Å; M82-F792 HydrophobicContact CE-CD1 4.41Å; M82-F792 HydrophobicContact CE-CG 4.39Å; M82-F792 HydrophobicContact SD-CB 4.37Å; F777-F792 AromaticContact CE1-CD2 3.78Å; F777-F792 HydrophobicContact CE1-CD2 3.78Å; F777-F792 AromaticContact CE1-CE2 3.71Å; F777-F792 HydrophobicContact CE1-CE2 3.71Å; F777-F792 HydrophobicContact CE1-CG 4.23Å; F777-F792 HydrophobicContact CE1-CZ 4.11Å; F777-F792 HydrophobicContact CZ-CE2 4.33Å; F777-F792 HydrophobicContact CZ-CZ 4.27Å; L783-F792 HydrophobicContact CD1-CE2 4.01Å; T788-F792 HydrophobicContact CG2-CD2 4.3Å; T788-F792 PolarHBondContact O-N 3.38Å; F792-G796 PolarHBondContact O-N 3.29Å
793	V	89.6	Confident	85.1	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	I	π-helix	trans	-72.4	-47.1	-175.7	-172.5	0	0	0	0	111.5	F86 L148 T167 I770 A774 T788 A789 L795 G796 T797	F86-V793 HydrophobicContact CZ-CG1 4.31Å; L148-V793 HydrophobicContact CD2-CG1 3.89Å; T167-V793 HydrophobicContact CG2-CB 4.28Å; T167-V793 HydrophobicContact CG2-CG1 3.77Å; I770-V793 HydrophobicContact CG2-CG1 4.39Å; A774-V793 HydrophobicContact CB-CG2 3.43Å; A774-V793 VanDerWaalsContact CB-CG2 3.43Å; T788-V793 PolarHBondContact O-N 2.76Å; A789-V793 PolarHBondContact O-N 3.02Å; V793-L795 VanDerWaalsContact C-N 3.32Å; V793-L795 PolarHBondContact O-N 2.92Å; V793-G796 PolarHBondContact O-N 3.49Å; V793-T797 WeakPolarHBondContact O-CG2 3.3Å; V793-T797 PolarHBondContact O-N 2.83Å; V793-T797 PolarHBondContact O-OG1 3.26Å
794	A	89	Confident	85	Confident	1 Å²	1	16 Å²	16	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-58.4	-43.1	176.1	0	0	0	0	0	112.4	G170 A789 V790 T797 S798	G170-A794 VanDerWaalsContact C-CB 3.49Å; A789-A794 VanDerWaalsContact O-CB 3.31Å; A789-A794 WeakPolarHBondContact O-CB 3.36Å; A789-A794 PolarHBondContact O-N 3.37Å; V790-A794 WeakPolarHBondContact O-CB 3.45Å; A794-T797 PolarHBondContact O-OG1 3.4Å; A794-T797 VanDerWaalsContact O-OG1 3.08Å; A794-S798 VanDerWaalsContact O-CB 3.31Å; A794-S798 WeakPolarHBondContact O-CB 3.41Å; A794-S798 PolarHBondContact O-N 2.67Å; A794-S798 PolarHBondContact O-OG 2.95Å
795	L	87.4	Confident	85.2	Confident	30 Å²	30	12.9 Å²	12.9	16%	0.157	7%	0.071	C	C	.	.	H	α-helix	trans	-67.4	-44	177.8	168.3	155.5	0	0	0	111.4	W16 F174 V791 V793 S798 V799 W907	W16-L795 HydrophobicContact CH2-CD1 4.02Å; W16-L795 HydrophobicContact CH2-CD2 3.33Å; W16-L795 HydrophobicContact CH2-CG 3.71Å; W16-L795 HydrophobicContact CZ3-CD1 4.16Å; W16-L795 HydrophobicContact CZ3-CD2 3.39Å; W16-L795 HydrophobicContact CZ3-CG 4.12Å; F174-L795 HydrophobicContact CD2-CB 4.37Å; F174-L795 HydrophobicContact CE2-CB 4.31Å; F174-L795 HydrophobicContact CE2-CD1 4.09Å; F174-L795 HydrophobicContact CE2-CG 4.02Å; F174-L795 HydrophobicContact CZ-CG 4.47Å; V791-L795 VanDerWaalsContact O-CB 3.23Å; V791-L795 WeakPolarHBondContact O-CB 3.5Å; V793-L795 VanDerWaalsContact C-N 3.32Å; V793-L795 PolarHBondContact O-N 2.92Å; L795-S798 PolarHBondContact O-N 2.79Å; L795-V799 WeakPolarHBondContact O-CG2 3.28Å; L795-V799 PolarHBondContact O-N 3.18Å; L795-W907 HydrophobicContact CD1-CH2 4.34Å; L795-W907 HydrophobicContact CD1-CZ2 4.26Å
796	G	86.7	Confident	85.3	Confident	6 Å²	6	13.8 Å²	13.8	6%	0.062	7%	0.073	C	C	.	.	H	α-helix	trans	-63.3	-43.2	-179.9	0	0	0	0	0	113.6	F792 V793 S798	F792-G796 PolarHBondContact O-N 3.29Å; V793-G796 PolarHBondContact O-N 3.49Å; G796-S798 VanDerWaalsContact C-N 3.32Å; G796-S798 PolarHBondContact O-N 3.4Å
797	T	86.4	Confident	85.2	Confident	9 Å²	9	14.6 Å²	14.6	6%	0.055	8%	0.077	C	C	.	.	H	α-helix	trans	-67.4	-30.6	177	46.8	0	0	0	0	113.1	F86 P144 E145 V793 A794 P800	F86-T797 HydrophobicContact CE1-CG2 3.85Å; P144-T797 HydrophobicContact CB-CG2 4.01Å; E145-T797 HydrophobicContact CG-CG2 4.39Å; E145-T797 WeakPolarHBondContact OE1-CB 3.05Å; V793-T797 WeakPolarHBondContact O-CG2 3.3Å; V793-T797 PolarHBondContact O-N 2.83Å; V793-T797 PolarHBondContact O-OG1 3.26Å; A794-T797 PolarHBondContact O-OG1 3.4Å; A794-T797 VanDerWaalsContact O-OG1 3.08Å; T797-P800 WeakPolarHBondContact O-CD 3.5Å
798	S	87.2	Confident	85	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.9	-178	-53.7	0	0	0	0	114.8	S171 N175 A794 L795 G796 D801 T802	S171-S798 WeakPolarHBondContact CB-OG 3.41Å; N175-S798 WeakPolarHBondContact OD1-CB 3.38Å; N175-S798 PolarHBondContact OD1-OG 2.76Å; A794-S798 VanDerWaalsContact O-CB 3.31Å; A794-S798 WeakPolarHBondContact O-CB 3.41Å; A794-S798 PolarHBondContact O-N 2.67Å; A794-S798 PolarHBondContact O-OG 2.95Å; L795-S798 PolarHBondContact O-N 2.79Å; G796-S798 VanDerWaalsContact C-N 3.32Å; G796-S798 PolarHBondContact O-N 3.4Å; S798-D801 PolarHBondContact O-N 2.98Å; S798-T802 PolarHBondContact O-N 3.4Å; S798-T802 PolarHBondContact O-OG1 3.39Å
799	V	82.3	Confident	84.9	Confident	30 Å²	30	14.5 Å²	14.5	18%	0.182	8%	0.077	C	C	.	.	H	α-helix	trans	-60.3	-48.7	-179.9	177.5	0	0	0	0	112.6	W16 L795 D801 T802 F803	W16-V799 HydrophobicContact CH2-CG2 3.73Å; W16-V799 HydrophobicContact CZ2-CG2 4.23Å; L795-V799 WeakPolarHBondContact O-CG2 3.28Å; L795-V799 PolarHBondContact O-N 3.18Å; V799-D801 VanDerWaalsContact C-N 3.27Å; V799-D801 PolarHBondContact O-N 3.37Å; V799-T802 VanDerWaalsContact O-CB 3.26Å; V799-T802 WeakPolarHBondContact O-CB 3.49Å; V799-T802 PolarHBondContact O-N 3.4Å; V799-T802 VanDerWaalsContact O-N 3.08Å; V799-F803 HydrophobicContact CG1-CD2 3.78Å; V799-F803 HydrophobicContact CG1-CE2 3.51Å; V799-F803 WeakPolarHBondContact O-CD2 3.36Å; V799-F803 PolarHBondContact O-N 2.92Å
800	P	77.2	Confident	84.7	Confident	5 Å²	5	17.4 Å²	17.4	3%	0.032	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-38.8	179.3	-25.7	37.9	0	0	0	112.5	S90 T797 T802 F803 A804	S90-P800 VanDerWaalsContact OG-CG 3.24Å; S90-P800 WeakPolarHBondContact OG-CG 3.13Å; T797-P800 WeakPolarHBondContact O-CD 3.5Å; P800-T802 VanDerWaalsContact C-N 3.3Å; P800-T802 PolarHBondContact O-N 3.33Å; P800-F803 PolarHBondContact O-N 3.4Å; P800-A804 WeakPolarHBondContact O-CB 3.18Å; P800-A804 PolarHBondContact O-N 3.48Å
801	D	82.9	Confident	84.4	Confident	3 Å²	3	20.4 Å²	20.4	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-33.2	176.8	-86.8	-8.1	0	0	0	112.7	S141 I179 R354 S798 V799 S805	S141-D801 WeakPolarHBondContact CB-OD1 3.31Å; S141-D801 VanDerWaalsContact CB-OD2 3.26Å; S141-D801 WeakPolarHBondContact CB-OD2 3.31Å; I179-D801 HydrophobicContact CD1-CB 3.95Å; R354-D801 IonicContact CZ-OD1 3.61Å; R354-D801 IonicContact NH2-OD1 2.73Å; R354-D801 PolarHBondContact NH2-OD1 3.05Å; R354-D801 IonicContact NH2-OD2 3.45Å; R354-D801 PolarHBondContact NH2-OD2 3.33Å; S798-D801 PolarHBondContact O-N 2.98Å; V799-D801 VanDerWaalsContact C-N 3.27Å; V799-D801 PolarHBondContact O-N 3.37Å; D801-S805 VanDerWaalsContact O-CB 3.26Å; D801-S805 WeakPolarHBondContact O-CB 3.19Å; D801-S805 PolarHBondContact O-N 2.98Å; D801-S805 PolarHBondContact O-OG 3.49Å
802	T	86.3	Confident	84	Confident	13 Å²	13	21.1 Å²	21.1	8%	0.08	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-48.6	175.8	-55.7	0	0	0	0	111.1	F174 I179 L182 S798 V799 P800 K806	F174-T802 VanDerWaalsContact CE1-OG1 3.31Å; F174-T802 WeakPolarHBondContact CE1-OG1 3.4Å; I179-T802 HydrophobicContact CG1-CG2 4.35Å; I179-T802 WeakPolarHBondContact CG1-OG1 3.3Å; L182-T802 HydrophobicContact CD2-CG2 3.39Å; S798-T802 PolarHBondContact O-N 3.4Å; S798-T802 PolarHBondContact O-OG1 3.39Å; V799-T802 VanDerWaalsContact O-CB 3.26Å; V799-T802 WeakPolarHBondContact O-CB 3.49Å; V799-T802 PolarHBondContact O-N 3.4Å; V799-T802 VanDerWaalsContact O-N 3.08Å; P800-T802 VanDerWaalsContact C-N 3.3Å; P800-T802 PolarHBondContact O-N 3.33Å; T802-K806 VanDerWaalsContact O-CB 3.27Å; T802-K806 WeakPolarHBondContact O-CB 3.44Å; T802-K806 PolarHBondContact O-N 2.91Å
803	F	81.7	Confident	83.5	Confident	53 Å²	53	24.7 Å²	24.7	23%	0.232	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-41.1	-179.8	-72.4	-72.2	0	0	0	111.9	A361 M365 V799 P800 S805 K806 V807	A361-F803 HydrophobicContact CB-CB 3.88Å; M365-F803 HydrophobicContact CE-CD2 3.86Å; M365-F803 HydrophobicContact CE-CE2 4.37Å; M365-F803 HydrophobicContact CE-CG 4.33Å; M365-F803 HydrophobicContact SD-CD1 4.43Å; M365-F803 HydrophobicContact SD-CD2 3.44Å; M365-F803 WeakPolarHBondContact SD-CD2 3.23Å; M365-F803 HydrophobicContact SD-CE1 4.43Å; M365-F803 HydrophobicContact SD-CE2 3.42Å; M365-F803 WeakPolarHBondContact SD-CE2 3.33Å; M365-F803 HydrophobicContact SD-CG 3.98Å; M365-F803 HydrophobicContact SD-CZ 3.95Å; V799-F803 HydrophobicContact CG1-CD2 3.78Å; V799-F803 HydrophobicContact CG1-CE2 3.51Å; V799-F803 WeakPolarHBondContact O-CD2 3.36Å; V799-F803 PolarHBondContact O-N 2.92Å; P800-F803 PolarHBondContact O-N 3.4Å; F803-S805 PolarHBondContact O-N 3.49Å; F803-K806 PolarHBondContact O-N 3.49Å; F803-V807 VanDerWaalsContact O-CG2 3.31Å; F803-V807 WeakPolarHBondContact O-CG2 3.29Å; F803-V807 PolarHBondContact O-N 3.29Å
804	A	79.7	Confident	83.3	Confident	3 Å²	3	29.4 Å²	29.4	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-49.2	174.8	0	0	0	0	0	111.8	R358 P800 K806 V807 A808	R358-A804 HydrophobicContact CB-CB 3.64Å; R358-A804 HydrophobicContact CG-CB 4.03Å; P800-A804 WeakPolarHBondContact O-CB 3.18Å; P800-A804 PolarHBondContact O-N 3.48Å; A804-K806 VanDerWaalsContact C-N 3.35Å; A804-K806 PolarHBondContact O-N 2.89Å; A804-V807 PolarHBondContact O-N 3.43Å; A804-A808 WeakPolarHBondContact O-CB 3.49Å; A804-A808 PolarHBondContact O-N 3.19Å
805	S	85.5	Confident	83.1	Confident	4 Å²	4	29.4 Å²	29.4	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-35.9	-179.6	-55.6	0	0	0	0	112.1	C183 D801 F803 A809	C183-S805 PolarHBondContact SG-O 2.96Å; D801-S805 VanDerWaalsContact O-CB 3.26Å; D801-S805 WeakPolarHBondContact O-CB 3.19Å; D801-S805 PolarHBondContact O-N 2.98Å; D801-S805 PolarHBondContact O-OG 3.49Å; F803-S805 PolarHBondContact O-N 3.49Å; S805-A809 VanDerWaalsContact O-CB 3.31Å; S805-A809 WeakPolarHBondContact O-CB 3.46Å; S805-A809 PolarHBondContact O-N 2.95Å
806	K	86.1	Confident	82.8	Confident	75 Å²	75	29.7 Å²	29.7	33%	0.326	16%	0.155	S	C	.	.	H	α-helix	trans	-61.9	-50.5	173.1	176.7	-167.3	170.2	-162.4	0	111.3	L182 V186 T802 F803 A804 A809 V810	L182-K806 HydrophobicContact CD2-CB 4.33Å; L182-K806 HydrophobicContact CD2-CD 4.45Å; V186-K806 HydrophobicContact CB-CG 4.36Å; V186-K806 HydrophobicContact CG1-CD 4.46Å; V186-K806 HydrophobicContact CG1-CG 3.92Å; V186-K806 HydrophobicContact CG2-CD 4.32Å; V186-K806 HydrophobicContact CG2-CG 4.07Å; T802-K806 VanDerWaalsContact O-CB 3.27Å; T802-K806 WeakPolarHBondContact O-CB 3.44Å; T802-K806 PolarHBondContact O-N 2.91Å; F803-K806 PolarHBondContact O-N 3.49Å; A804-K806 VanDerWaalsContact C-N 3.35Å; A804-K806 PolarHBondContact O-N 2.89Å; K806-A809 PolarHBondContact O-N 3.19Å; K806-V810 WeakPolarHBondContact O-CG2 3.18Å; K806-V810 PolarHBondContact O-N 3.04Å; K806-V810 VanDerWaalsContact O-N 3.14Å
807	V	80.8	Confident	82.3	Confident	23 Å²	23	30.4 Å²	30.4	14%	0.139	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-43.8	-178.7	175.2	0	0	0	0	110.1	Y357 A361 F803 A804 A809 V810 Q811	Y357-V807 HydrophobicContact CD1-CG1 3.76Å; Y357-V807 HydrophobicContact CE1-CG1 4.45Å; A361-V807 HydrophobicContact CB-CG2 4.15Å; F803-V807 VanDerWaalsContact O-CG2 3.31Å; F803-V807 WeakPolarHBondContact O-CG2 3.29Å; F803-V807 PolarHBondContact O-N 3.29Å; A804-V807 PolarHBondContact O-N 3.43Å; V807-A809 VanDerWaalsContact C-N 3.34Å; V807-A809 PolarHBondContact O-N 2.68Å; V807-V810 PolarHBondContact O-N 3.3Å; V807-Q811 HydrophobicContact CG1-CG 4.18Å; V807-Q811 VanDerWaalsContact CG1-NE2 3.33Å; V807-Q811 PolarHBondContact O-N 2.96Å
808	A	80.9	Confident	82.1	Confident	3 Å²	3	30.1 Å²	30.1	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-44.8	173.8	0	0	0	0	0	111.7	Y357 A804 V810 Q811 D812 A817	Y357-A808 HydrophobicContact CD2-CB 3.69Å; Y357-A808 HydrophobicContact CE2-CB 4.07Å; Y357-A808 HydrophobicContact CG-CB 4.01Å; A804-A808 WeakPolarHBondContact O-CB 3.49Å; A804-A808 PolarHBondContact O-N 3.19Å; A808-V810 VanDerWaalsContact C-N 3.28Å; A808-V810 PolarHBondContact O-N 2.94Å; A808-Q811 PolarHBondContact O-N 3.39Å; A808-D812 VanDerWaalsContact O-CB 3.24Å; A808-D812 WeakPolarHBondContact O-CB 3.34Å; A808-D812 PolarHBondContact O-N 2.77Å; A808-A817 HydrophobicContact CB-CB 4.18Å
809	A	84.9	Confident	82	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-34.3	178.2	0	0	0	0	0	113.3	C183 I187 S805 K806 V807 L889	C183-A809 HydrophobicContact CB-CB 4.05Å; I187-A809 HydrophobicContact CD1-CB 4.11Å; I187-A809 WeakPolarHBondContact CD1-O 3.13Å; S805-A809 VanDerWaalsContact O-CB 3.31Å; S805-A809 WeakPolarHBondContact O-CB 3.46Å; S805-A809 PolarHBondContact O-N 2.95Å; K806-A809 PolarHBondContact O-N 3.19Å; V807-A809 VanDerWaalsContact C-N 3.34Å; V807-A809 PolarHBondContact O-N 2.68Å; A809-L889 HydrophobicContact CB-CD1 4.15Å
810	V	83.5	Confident	81.7	Confident	61 Å²	61	29.6 Å²	29.6	37%	0.37	16%	0.159	S	C	.	.	H	α-helix	trans	-77.3	-48.3	178.7	174.8	0	0	0	0	111.5	V186 K806 V807 A808	V186-V810 HydrophobicContact CG1-CG2 3.4Å; K806-V810 WeakPolarHBondContact O-CG2 3.18Å; K806-V810 PolarHBondContact O-N 3.04Å; K806-V810 VanDerWaalsContact O-N 3.14Å; V807-V810 PolarHBondContact O-N 3.3Å; A808-V810 VanDerWaalsContact C-N 3.28Å; A808-V810 PolarHBondContact O-N 2.94Å
811	Q	79.2	Confident	81.6	Confident	75 Å²	75	30.3 Å²	30.3	35%	0.35	16%	0.163	S	C	.	.	H	α-helix	trans	-81.8	-31.7	-171.5	-65.6	-169.7	20.8	0	0	113.4	Y357 V807 A808	Y357-Q811 HydrophobicContact CE1-CB 3.79Å; Y357-Q811 HydrophobicContact CE1-CG 4.33Å; Y357-Q811 VanDerWaalsContact CE1-OE1 3.31Å; V807-Q811 HydrophobicContact CG1-CG 4.18Å; V807-Q811 VanDerWaalsContact CG1-NE2 3.33Å; V807-Q811 PolarHBondContact O-N 2.96Å; A808-Q811 PolarHBondContact O-N 3.39Å
812	D	78.3	Confident	81.7	Confident	29 Å²	29	30.3 Å²	30.3	16%	0.155	16%	0.163	C	C	.	.			trans	-84.1	150.1	179.7	-72.7	-31.9	0	0	0	112.7	R193 Y357 A808 A817	R193-D812 VanDerWaalsContact CD-O 3.29Å; R193-D812 WeakPolarHBondContact CD-O 3.38Å; R193-D812 PolarHBondContact NE-O 3.48Å; Y357-D812 VanDerWaalsContact CE2-OD2 3.28Å; Y357-D812 WeakPolarHBondContact CE2-OD2 3.4Å; Y357-D812 VanDerWaalsContact OH-CG 3.26Å; Y357-D812 PolarHBondContact OH-OD1 3.24Å; A808-D812 VanDerWaalsContact O-CB 3.24Å; A808-D812 WeakPolarHBondContact O-CB 3.34Å; A808-D812 PolarHBondContact O-N 2.77Å; D812-A817 WeakPolarHBondContact OD2-CB 3.33Å
813	T	78.3	Confident	81.5	Confident	96 Å²	96	29.7 Å²	29.7	59%	0.589	16%	0.159	S	C	*	.	S	Bend	trans	-77.9	-20.4	172.8	49.4	0	0	0	0	113.5	R193	R193-T813 WeakPolarHBondContact CD-O 3.17Å
814	Y	84.9	Confident	81.6	Confident	99 Å²	99	27.3 Å²	27.3	39%	0.388	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-120.2	160.4	-178.6	-59.2	-76.7	0	0	0	111.9	K194 K196 D816	K194-Y814 WeakPolarHBondContact O-CA 3.28Å; K194-Y814 WeakPolarHBondContact O-CB 3.45Å; K196-Y814 HydrophobicContact CB-CD1 3.82Å; K196-Y814 HydrophobicContact CB-CE1 4.2Å; K196-Y814 HydrophobicContact CB-CG 4.1Å; K196-Y814 HydrophobicContact CD-CD1 4.47Å; K196-Y814 HydrophobicContact CD-CD2 4.27Å; K196-Y814 HydrophobicContact CD-CE1 4.29Å; K196-Y814 HydrophobicContact CD-CE2 4.11Å; K196-Y814 HydrophobicContact CD-CG 4.46Å; K196-Y814 HydrophobicContact CG-CD1 4.45Å; K196-Y814 HydrophobicContact CG-CE1 4.36Å; Y814-D816 WeakPolarHBondContact CB-OD2 3.42Å
815	A	84.5	Confident	81.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-92.5	2.4	-177.3	0	0	0	0	0	114.3	R193 K194 V195 A817 S818 I819 L889	R193-A815 HydrophobicContact CB-CB 4.14Å; K194-A815 PolarHBondContact O-N 3.38Å; V195-A815 HydrophobicContact CG2-CB 3.88Å; A815-A817 PolarHBondContact O-N 2.87Å; A815-S818 PolarHBondContact O-N 3.42Å; A815-S818 PolarHBondContact O-OG 3.09Å; A815-S818 VanDerWaalsContact O-OG 3.12Å; A815-I819 HydrophobicContact CB-CD1 4.09Å; A815-I819 HydrophobicContact CB-CG1 4.39Å; A815-I819 PolarHBondContact O-N 2.94Å; A815-L889 HydrophobicContact CB-CD1 3.69Å; A815-L889 HydrophobicContact CB-CG 4.04Å
816	D	81.4	Confident	82	Confident	36 Å²	36	27 Å²	27	19%	0.193	15%	0.147	C	C	.	.	I	π-helix	trans	-61.4	-43.6	-175	-60	-106.2	0	0	0	112.3	V195 K196 H197 Y814 S818 G820	V195-D816 WeakPolarHBondContact CG1-OD1 3.25Å; K196-D816 WeakPolarHBondContact CB-OD2 3.1Å; K196-D816 PolarHBondContact N-OD1 3.36Å; K196-D816 PolarHBondContact N-OD2 3.05Å; H197-D816 WeakPolarHBondContact CB-OD1 3.49Å; H197-D816 IonicContact CD2-OD1 3.05Å; H197-D816 IonicContact CG-OD1 3.44Å; H197-D816 PolarHBondContact N-OD1 3.45Å; Y814-D816 WeakPolarHBondContact CB-OD2 3.42Å; D816-S818 VanDerWaalsContact C-N 3.35Å; D816-S818 PolarHBondContact O-N 3.28Å; D816-G820 WeakPolarHBondContact O-CA 3.33Å; D816-G820 PolarHBondContact O-N 3.27Å
817	A	76.3	Confident	82.1	Confident	21 Å²	21	23.5 Å²	23.5	17%	0.174	13%	0.132	C	C	.	.	I	π-helix	trans	-72.1	-25.2	-178.5	0	0	0	0	0	113.8	A808 D812 A815 N821	A808-A817 HydrophobicContact CB-CB 4.18Å; D812-A817 WeakPolarHBondContact OD2-CB 3.33Å; A815-A817 PolarHBondContact O-N 2.87Å; A817-N821 WeakPolarHBondContact O-CB 3.35Å; A817-N821 PolarHBondContact O-ND2 2.82Å
818	S	82.6	Confident	82.5	Confident	3 Å²	3	22.5 Å²	22.5	2%	0.021	13%	0.126	C	C	.	.	I	π-helix	trans	-89	-50.9	178.4	46.8	0	0	0	0	111.8	A815 D816 V822 L889	A815-S818 PolarHBondContact O-N 3.42Å; A815-S818 PolarHBondContact O-OG 3.09Å; A815-S818 VanDerWaalsContact O-OG 3.12Å; D816-S818 VanDerWaalsContact C-N 3.35Å; D816-S818 PolarHBondContact O-N 3.28Å; S818-V822 WeakPolarHBondContact O-CG2 3.32Å; S818-L889 WeakPolarHBondContact OG-CD1 3.4Å
819	I	84.4	Confident	82.9	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.125	C	C	.	.	I	π-helix	trans	-86.3	-44.7	-176.2	-55.6	-179.8	0	0	0	111.9	I180 V195 F201 A815 N821 V822 T823 E888 L889	I180-I819 HydrophobicContact CD1-CG2 4.27Å; V195-I819 HydrophobicContact CG2-CD1 4.42Å; F201-I819 HydrophobicContact CD2-CG2 4.47Å; F201-I819 HydrophobicContact CE2-CG2 3.62Å; F201-I819 HydrophobicContact CZ-CG2 4.28Å; A815-I819 HydrophobicContact CB-CD1 4.09Å; A815-I819 HydrophobicContact CB-CG1 4.39Å; A815-I819 PolarHBondContact O-N 2.94Å; I819-N821 VanDerWaalsContact C-N 3.29Å; I819-N821 PolarHBondContact O-N 3.21Å; I819-V822 PolarHBondContact O-N 2.85Å; I819-T823 HydrophobicContact CG2-CG2 4.5Å; I819-T823 PolarHBondContact O-N 3.36Å; I819-T823 VanDerWaalsContact O-N 3.13Å; I819-E888 HydrophobicContact CD1-CB 4Å; I819-L889 HydrophobicContact CD1-CD1 4.4Å; I819-L889 HydrophobicContact CD1-CD2 3.82Å; I819-L889 HydrophobicContact CD1-CG 3.98Å; I819-L889 HydrophobicContact CG1-CD1 4.37Å; I819-L889 HydrophobicContact CG1-CD2 4.18Å; I819-L889 HydrophobicContact CG1-CG 4.44Å
820	G	76.7	Confident	83.2	Confident	19 Å²	19	22.4 Å²	22.4	20%	0.196	13%	0.125	C	C	.	.	I	π-helix	trans	-59.2	-42.5	-175.2	0	0	0	0	0	111.9	D816 T823 G824	D816-G820 WeakPolarHBondContact O-CA 3.33Å; D816-G820 PolarHBondContact O-N 3.27Å; G820-T823 PolarHBondContact O-N 3.16Å; G820-T823 PolarHBondContact O-OG1 3.42Å; G820-G824 PolarHBondContact O-N 3.08Å
821	N	75.1	Confident	83.7	Confident	19 Å²	19	19.5 Å²	19.5	10%	0.102	11%	0.107	C	C	.	.	H	α-helix	trans	-65.2	-40.5	178.9	-70.5	-23.1	0	0	0	113.2	R354 A817 I819 G824 S825	R354-N821 WeakPolarHBondContact CD-ND2 3.36Å; R354-N821 WeakPolarHBondContact CG-ND2 3.2Å; A817-N821 WeakPolarHBondContact O-CB 3.35Å; A817-N821 PolarHBondContact O-ND2 2.82Å; I819-N821 VanDerWaalsContact C-N 3.29Å; I819-N821 PolarHBondContact O-N 3.21Å; N821-G824 PolarHBondContact O-N 2.89Å; N821-S825 PolarHBondContact O-N 2.84Å; N821-S825 PolarHBondContact O-OG 2.85Å
822	V	83.8	Confident	84.2	Confident	3 Å²	3	17.2 Å²	17.2	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-60.8	-45	174.5	161.3	0	0	0	0	111.5	N175 M176 I179 I180 S818 I819 G824 S825 N826	N175-V822 HydrophobicContact CB-CG1 3.95Å; N175-V822 WeakPolarHBondContact O-CG1 3.45Å; M176-V822 HydrophobicContact SD-CG1 4.35Å; I179-V822 HydrophobicContact CB-CG2 4.49Å; I179-V822 HydrophobicContact CG2-CG2 4.07Å; I180-V822 HydrophobicContact CD1-CG1 4.24Å; I180-V822 HydrophobicContact CG1-CG1 4.34Å; S818-V822 WeakPolarHBondContact O-CG2 3.32Å; I819-V822 PolarHBondContact O-N 2.85Å; V822-G824 VanDerWaalsContact C-N 3.35Å; V822-S825 PolarHBondContact O-OG 2.96Å; V822-S825 VanDerWaalsContact O-OG 3.09Å; V822-N826 VanDerWaalsContact O-CG 3.22Å; V822-N826 PolarHBondContact O-N 3.03Å; V822-N826 PolarHBondContact O-OD1 3.24Å
823	T	83.8	Confident	84.8	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-68.7	-36.2	179.7	61	0	0	0	0	112.4	M176 F201 T204 A205 S208 I819 G820 A827	M176-T823 HydrophobicContact CE-CG2 4.39Å; M176-T823 HydrophobicContact SD-CG2 4.27Å; F201-T823 HydrophobicContact CE2-CG2 4.12Å; T204-T823 PolarHBondContact OG1-OG1 2.95Å; A205-T823 HydrophobicContact CB-CG2 4.47Å; S208-T823 VanDerWaalsContact CB-O 3.29Å; S208-T823 WeakPolarHBondContact CB-O 3.24Å; S208-T823 PolarHBondContact OG-O 2.87Å; I819-T823 HydrophobicContact CG2-CG2 4.5Å; I819-T823 PolarHBondContact O-N 3.36Å; I819-T823 VanDerWaalsContact O-N 3.13Å; G820-T823 PolarHBondContact O-N 3.16Å; G820-T823 PolarHBondContact O-OG1 3.42Å; T823-A827 PolarHBondContact O-N 3.33Å
824	G	82.6	Confident	85.3	Confident	2 Å²	2	11.3 Å²	11.3	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-65.9	-50.7	176.6	0	0	0	0	0	112.5	G820 N821 V822 N826 A827 V828	G820-G824 PolarHBondContact O-N 3.08Å; N821-G824 PolarHBondContact O-N 2.89Å; V822-G824 VanDerWaalsContact C-N 3.35Å; G824-N826 VanDerWaalsContact C-N 3.31Å; G824-N826 PolarHBondContact O-N 3.39Å; G824-A827 PolarHBondContact O-N 3.42Å; G824-A827 VanDerWaalsContact O-N 3.14Å; G824-V828 WeakPolarHBondContact O-CG2 3.45Å; G824-V828 PolarHBondContact O-N 3.38Å; G824-V828 VanDerWaalsContact O-N 3.17Å
825	S	84.9	Confident	85.7	Confident	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.5	-40.2	179.7	61.1	0	0	0	0	112.2	N821 V822 A827 V828 N829	N821-S825 PolarHBondContact O-N 2.84Å; N821-S825 PolarHBondContact O-OG 2.85Å; V822-S825 PolarHBondContact O-OG 2.96Å; V822-S825 VanDerWaalsContact O-OG 3.09Å; S825-A827 VanDerWaalsContact C-N 3.31Å; S825-A827 PolarHBondContact O-N 3.41Å; S825-V828 PolarHBondContact O-N 3.38Å; S825-V828 VanDerWaalsContact O-N 3.11Å; S825-N829 VanDerWaalsContact O-CG 3.23Å; S825-N829 PolarHBondContact O-N 3.25Å; S825-N829 PolarHBondContact O-OD1 2.92Å
826	N	88.1	Confident	86.1	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.9	-38.9	176.3	-73.9	1.3	0	0	0	113.1	A172 S208 Y212 V822 G824	A172-N826 WeakPolarHBondContact CA-OD1 3.28Å; A172-N826 HydrophobicContact CB-CB 4.26Å; A172-N826 PolarHBondContact O-ND2 2.97Å; S208-N826 WeakPolarHBondContact OG-CB 3.39Å; Y212-N826 HydrophobicContact CE2-CB 4.45Å; Y212-N826 PolarHBondContact OH-O 3.28Å; V822-N826 VanDerWaalsContact O-CG 3.22Å; V822-N826 PolarHBondContact O-N 3.03Å; V822-N826 PolarHBondContact O-OD1 3.24Å; G824-N826 VanDerWaalsContact C-N 3.31Å; G824-N826 PolarHBondContact O-N 3.39Å
827	A	88.4	Confident	86.6	Confident	2 Å²	2	8.9 Å²	8.9	2%	0.017	6%	0.055	C	C	.	.	H	α-helix	trans	-68.4	-41.4	175.8	0	0	0	0	0	111.4	T823 G824 S825 N829 V830 F831	T823-A827 PolarHBondContact O-N 3.33Å; G824-A827 PolarHBondContact O-N 3.42Å; G824-A827 VanDerWaalsContact O-N 3.14Å; S825-A827 VanDerWaalsContact C-N 3.31Å; S825-A827 PolarHBondContact O-N 3.41Å; A827-N829 PolarHBondContact O-N 2.97Å; A827-V830 PolarHBondContact O-N 3.31Å; A827-F831 HydrophobicContact CB-CD2 4.32Å; A827-F831 HydrophobicContact CB-CE2 4.13Å; A827-F831 VanDerWaalsContact O-CD2 3.27Å; A827-F831 WeakPolarHBondContact O-CD2 3.21Å; A827-F831 WeakPolarHBondContact O-CG 3.26Å; A827-F831 PolarHBondContact O-N 2.86Å
828	V	89.4	Confident	87.4	Confident	3 Å²	3	8 Å²	8	2%	0.018	5%	0.047	C	C	.	.	H	α-helix	trans	-64.9	-37.9	179.2	179.4	0	0	0	0	111.5	A138 I146 F239 G824 S825 V830 L832 G833	A138-V828 HydrophobicContact CB-CG2 3.93Å; I146-V828 HydrophobicContact CD1-CG1 4.17Å; F239-V828 HydrophobicContact CD2-CG2 4.09Å; F239-V828 HydrophobicContact CE2-CG1 4.16Å; F239-V828 HydrophobicContact CE2-CG2 3.69Å; G824-V828 WeakPolarHBondContact O-CG2 3.45Å; G824-V828 PolarHBondContact O-N 3.38Å; G824-V828 VanDerWaalsContact O-N 3.17Å; S825-V828 PolarHBondContact O-N 3.38Å; S825-V828 VanDerWaalsContact O-N 3.11Å; V828-V830 VanDerWaalsContact C-N 3.25Å; V828-V830 PolarHBondContact O-N 3.46Å; V828-L832 HydrophobicContact CG1-CB 3.94Å; V828-L832 HydrophobicContact CG1-CD2 4.06Å; V828-L832 WeakPolarHBondContact O-CA 3.45Å; V828-L832 VanDerWaalsContact O-CB 3.27Å; V828-L832 WeakPolarHBondContact O-CB 3.48Å; V828-L832 PolarHBondContact O-N 3.45Å; V828-G833 PolarHBondContact O-N 2.84Å
829	N	90.2	Very high	87.9	Confident	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-56.6	-40.5	178.7	-67	0.5	0	0	0	112.2	S142 I168 S171 S825 A827 G833 I834	S142-N829 WeakPolarHBondContact CB-OD1 3.26Å; S142-N829 PolarHBondContact OG-OD1 3.01Å; I168-N829 HydrophobicContact CG2-CB 3.75Å; S171-N829 PolarHBondContact OG-ND2 3.26Å; S825-N829 VanDerWaalsContact O-CG 3.23Å; S825-N829 PolarHBondContact O-N 3.25Å; S825-N829 PolarHBondContact O-OD1 2.92Å; A827-N829 PolarHBondContact O-N 2.97Å; N829-G833 WeakPolarHBondContact O-CA 3.05Å; N829-G833 PolarHBondContact O-N 3.5Å; N829-I834 PolarHBondContact O-N 3.24Å
830	V	91.7	Very high	88.3	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-81.2	-53.1	179.7	179.5	0	0	0	0	111.1	I168 A211 Y212 L215 A827 V828 L832 I834 G835	I168-V830 HydrophobicContact CG2-CG2 4.33Å; A211-V830 HydrophobicContact CB-CB 3.85Å; A211-V830 HydrophobicContact CB-CG1 4.03Å; A211-V830 HydrophobicContact CB-CG2 4.18Å; Y212-V830 HydrophobicContact CD1-CG2 4.2Å; Y212-V830 HydrophobicContact CD2-CG2 4.24Å; Y212-V830 HydrophobicContact CE1-CG2 3.7Å; Y212-V830 HydrophobicContact CE2-CG2 3.75Å; Y212-V830 HydrophobicContact CG-CG2 4.43Å; Y212-V830 VanDerWaalsContact CZ-CG2 3.43Å; L215-V830 HydrophobicContact CB-CG1 4.33Å; A827-V830 PolarHBondContact O-N 3.31Å; V828-V830 VanDerWaalsContact C-N 3.25Å; V828-V830 PolarHBondContact O-N 3.46Å; V830-L832 PolarHBondContact O-N 3.35Å; V830-I834 WeakPolarHBondContact O-CB 3.42Å; V830-I834 PolarHBondContact O-N 3.5Å; V830-G835 PolarHBondContact O-N 3.4Å
831	F	92.6	Very high	89	Confident	1 Å²	1	10 Å²	10	0%	0.004	6%	0.055	C	C	.	.	I	π-helix	trans	-67	-41.8	-174.2	-61.6	-37.7	0	0	0	112.7	W207 F210 A211 T235 L236 F238 F239 C242 A827 G835	W207-F831 AromaticContact CE3-CE2 3.75Å; W207-F831 HydrophobicContact CE3-CE2 3.75Å; W207-F831 AromaticContact CE3-CZ 3.63Å; W207-F831 HydrophobicContact CE3-CZ 3.63Å; W207-F831 HydrophobicContact CZ3-CE2 4.43Å; W207-F831 HydrophobicContact CZ3-CZ 4.1Å; F210-F831 HydrophobicContact CD1-CZ 4.14Å; A211-F831 HydrophobicContact CB-CD1 4.21Å; A211-F831 HydrophobicContact CB-CE1 3.53Å; A211-F831 HydrophobicContact CB-CE2 4Å; A211-F831 HydrophobicContact CB-CZ 3.38Å; T235-F831 HydrophobicContact CG2-CD1 4.4Å; L236-F831 WeakPolarHBondContact CA-O 3.14Å; F238-F831 HydrophobicContact CB-CD1 3.54Å; F238-F831 HydrophobicContact CB-CD2 4.18Å; F238-F831 HydrophobicContact CB-CE1 3.58Å; F238-F831 HydrophobicContact CB-CE2 4.22Å; F238-F831 HydrophobicContact CB-CG 3.88Å; F238-F831 HydrophobicContact CB-CZ 3.94Å; F238-F831 HydrophobicContact CD2-CD1 4.25Å; F238-F831 AromaticContact CD2-CE1 3.91Å; F238-F831 HydrophobicContact CD2-CE1 3.91Å; F238-F831 HydrophobicContact CG-CD1 4.4Å; F238-F831 HydrophobicContact CG-CE1 4.13Å; F239-F831 HydrophobicContact CB-CB 3.82Å; C242-F831 HydrophobicContact CB-CE2 4.46Å; A827-F831 HydrophobicContact CB-CD2 4.32Å; A827-F831 HydrophobicContact CB-CE2 4.13Å; A827-F831 VanDerWaalsContact O-CD2 3.27Å; A827-F831 WeakPolarHBondContact O-CD2 3.21Å; A827-F831 WeakPolarHBondContact O-CG 3.26Å; A827-F831 PolarHBondContact O-N 2.86Å; F831-G835 WeakPolarHBondContact O-CA 3.49Å
832	L	90.8	Very high	89.8	Confident	27 Å²	27	9.2 Å²	9.2	14%	0.141	5%	0.051	C	C	.	.	I	π-helix	trans	-91.8	-48	179.4	-170.6	64.7	0	0	0	111.6	L139 I146 L236 V828 V830 M836	L139-L832 HydrophobicContact CD1-CD2 3.64Å; L139-L832 HydrophobicContact CG-CD2 4.24Å; I146-L832 HydrophobicContact CD1-CD2 4.21Å; L236-L832 HydrophobicContact CD1-CD1 3.98Å; V828-L832 HydrophobicContact CG1-CB 3.94Å; V828-L832 HydrophobicContact CG1-CD2 4.06Å; V828-L832 WeakPolarHBondContact O-CA 3.45Å; V828-L832 VanDerWaalsContact O-CB 3.27Å; V828-L832 WeakPolarHBondContact O-CB 3.48Å; V828-L832 PolarHBondContact O-N 3.45Å; V830-L832 PolarHBondContact O-N 3.35Å; L832-M836 WeakPolarHBondContact O-CB 3.12Å; L832-M836 PolarHBondContact O-N 2.99Å
833	G	89.4	Confident	90.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-65.3	-68.3	-176.9	0	0	0	0	0	113.2	V828 N829 A837	V828-G833 PolarHBondContact O-N 2.84Å; N829-G833 WeakPolarHBondContact O-CA 3.05Å; N829-G833 PolarHBondContact O-N 3.5Å; G833-A837 WeakPolarHBondContact O-CB 3.19Å; G833-A837 PolarHBondContact O-N 3.5Å
834	I	90.6	Very high	90.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-64.1	-44.8	177.8	-63.3	-179.6	0	0	0	110.4	I168 L215 N829 V830 M836 A837 W838	I168-I834 HydrophobicContact CB-CD1 4.46Å; I168-I834 HydrophobicContact CD1-CD1 4.46Å; I168-I834 HydrophobicContact CD1-CG1 3.67Å; I168-I834 HydrophobicContact CG2-CD1 3.87Å; I168-I834 HydrophobicContact CG2-CG1 4.14Å; L215-I834 HydrophobicContact CD1-CD1 3.98Å; L215-I834 HydrophobicContact CD1-CG2 4.1Å; L215-I834 HydrophobicContact CD2-CD1 3.64Å; L215-I834 HydrophobicContact CG-CD1 4.49Å; N829-I834 PolarHBondContact O-N 3.24Å; V830-I834 WeakPolarHBondContact O-CB 3.42Å; V830-I834 PolarHBondContact O-N 3.5Å; I834-M836 PolarHBondContact O-N 3.25Å; I834-A837 PolarHBondContact O-N 2.84Å; I834-W838 HydrophobicContact CG2-CD2 3.29Å; I834-W838 VanDerWaalsContact CG2-CE2 3.44Å; I834-W838 HydrophobicContact CG2-CE3 3.41Å; I834-W838 VanDerWaalsContact CG2-CE3 3.41Å; I834-W838 HydrophobicContact CG2-CG 3.88Å; I834-W838 HydrophobicContact CG2-CH2 3.79Å; I834-W838 HydrophobicContact CG2-CZ2 3.69Å; I834-W838 HydrophobicContact CG2-CZ3 3.68Å; I834-W838 VanDerWaalsContact O-CB 3.29Å; I834-W838 WeakPolarHBondContact O-CB 3.25Å; I834-W838 PolarHBondContact O-N 2.92Å
835	G	92.5	Very high	91.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.1	-43.1	-179.1	0	0	0	0	0	113.6	V830 F831 S839	V830-G835 PolarHBondContact O-N 3.4Å; F831-G835 WeakPolarHBondContact O-CA 3.49Å; G835-S839 WeakPolarHBondContact O-CB 3.39Å; G835-S839 PolarHBondContact O-N 3.14Å; G835-S839 PolarHBondContact O-OG 3.1Å
836	M	92	Very high	91.7	Very high	84 Å²	84	23.8 Å²	23.8	41%	0.414	12%	0.116	S	C	.	.	H	α-helix	trans	-69.2	-51.1	176.9	-176.5	177.8	178.8	0	0	111.5	V150 L236 L832 I834 W838 S839 V840	V150-M836 HydrophobicContact CG2-CG 4.34Å; V150-M836 HydrophobicContact CG2-SD 4.26Å; L236-M836 HydrophobicContact CD1-CB 4.34Å; L832-M836 WeakPolarHBondContact O-CB 3.12Å; L832-M836 PolarHBondContact O-N 2.99Å; I834-M836 PolarHBondContact O-N 3.25Å; M836-W838 PolarHBondContact O-N 3.49Å; M836-S839 PolarHBondContact O-N 3.31Å; M836-V840 WeakPolarHBondContact O-CG2 3.4Å; M836-V840 PolarHBondContact O-N 3.16Å; M836-V840 VanDerWaalsContact O-N 3.09Å
837	A	92.1	Very high	91.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-46.8	-177.1	0	0	0	0	0	111.8	V150 V153 G833 I834 V840 A841	V150-A837 HydrophobicContact CG2-CB 4.04Å; V153-A837 HydrophobicContact CG2-CB 4.13Å; G833-A837 WeakPolarHBondContact O-CB 3.19Å; G833-A837 PolarHBondContact O-N 3.5Å; I834-A837 PolarHBondContact O-N 2.84Å; A837-V840 PolarHBondContact O-N 3.34Å; A837-A841 PolarHBondContact O-N 3.02Å; A837-A841 VanDerWaalsContact O-N 3.1Å
838	W	93.1	Very high	92.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-74.5	-32	-179.1	-67.6	4.9	0	0	0	112.8	P165 L215 I218 L219 V227 I834 M836 A841 A842 F852 V854 L859	P165-W838 HydrophobicContact CB-CZ2 4.39Å; P165-W838 HydrophobicContact CG-CZ2 4.22Å; L215-W838 HydrophobicContact CD1-CH2 3.51Å; L215-W838 HydrophobicContact CD1-CZ3 3.58Å; I218-W838 HydrophobicContact CD1-CE3 4Å; I218-W838 HydrophobicContact CD1-CZ3 3.61Å; I218-W838 HydrophobicContact CG1-CZ3 4.27Å; L219-W838 HydrophobicContact CD1-CH2 4.18Å; L219-W838 HydrophobicContact CD2-CH2 3.74Å; L219-W838 HydrophobicContact CD2-CZ3 4.06Å; L219-W838 HydrophobicContact CG-CH2 4.14Å; L219-W838 HydrophobicContact CG-CZ3 4.39Å; V227-W838 HydrophobicContact CB-CE3 4.48Å; V227-W838 HydrophobicContact CG1-CB 4.47Å; V227-W838 HydrophobicContact CG1-CE3 4.1Å; V227-W838 HydrophobicContact CG2-CE3 3.79Å; V227-W838 HydrophobicContact CG2-CZ3 3.9Å; I834-W838 HydrophobicContact CG2-CD2 3.29Å; I834-W838 VanDerWaalsContact CG2-CE2 3.44Å; I834-W838 HydrophobicContact CG2-CE3 3.41Å; I834-W838 VanDerWaalsContact CG2-CE3 3.41Å; I834-W838 HydrophobicContact CG2-CG 3.88Å; I834-W838 HydrophobicContact CG2-CH2 3.79Å; I834-W838 HydrophobicContact CG2-CZ2 3.69Å; I834-W838 HydrophobicContact CG2-CZ3 3.68Å; I834-W838 VanDerWaalsContact O-CB 3.29Å; I834-W838 WeakPolarHBondContact O-CB 3.25Å; I834-W838 PolarHBondContact O-N 2.92Å; M836-W838 PolarHBondContact O-N 3.49Å; W838-A841 PolarHBondContact O-N 2.71Å; W838-A842 WeakPolarHBondContact O-CB 3.46Å; W838-A842 PolarHBondContact O-N 3.46Å; W838-F852 HydrophobicContact CB-CE1 4.04Å; W838-F852 HydrophobicContact CD2-CE1 4.5Å; W838-F852 AromaticContact CG-CE1 3.94Å; W838-F852 HydrophobicContact CG-CE1 3.94Å; W838-F852 HydrophobicContact CG-CZ 4.47Å; W838-V854 HydrophobicContact CH2-CG1 4.21Å; W838-V854 HydrophobicContact CZ2-CG1 3.97Å; W838-L859 HydrophobicContact CH2-CD2 4.29Å; W838-L859 HydrophobicContact CZ2-CD2 4.28Å
839	S	93.9	Very high	92.2	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.028	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-46.7	172	-67.2	0	0	0	0	111.3	G232 L233 G835 M836 A842 I843	G232-S839 PolarHBondContact O-OG 3.46Å; G232-S839 VanDerWaalsContact O-OG 3.05Å; L233-S839 PolarHBondContact N-OG 3.27Å; G835-S839 WeakPolarHBondContact O-CB 3.39Å; G835-S839 PolarHBondContact O-N 3.14Å; G835-S839 PolarHBondContact O-OG 3.1Å; M836-S839 PolarHBondContact O-N 3.31Å; S839-A842 PolarHBondContact O-N 2.96Å; S839-I843 WeakPolarHBondContact O-CB 3.49Å; S839-I843 WeakPolarHBondContact O-CD1 3.42Å; S839-I843 WeakPolarHBondContact O-CG1 3.41Å; S839-I843 PolarHBondContact O-N 3.44Å
840	V	92.6	Very high	92.2	Very high	61 Å²	61	46.3 Å²	46.3	37%	0.37	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-46.4	179.5	172.8	0	0	0	0	110.8	F158 M836 A837 Y844	F158-V840 HydrophobicContact CD1-CG1 4.17Å; F158-V840 HydrophobicContact CE1-CG1 3.73Å; M836-V840 WeakPolarHBondContact O-CG2 3.4Å; M836-V840 PolarHBondContact O-N 3.16Å; M836-V840 VanDerWaalsContact O-N 3.09Å; A837-V840 PolarHBondContact O-N 3.34Å; V840-Y844 WeakPolarHBondContact O-CB 3.31Å; V840-Y844 PolarHBondContact O-N 3.05Å
841	A	91.9	Very high	92.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-44.4	177.8	0	0	0	0	0	113.3	V153 F158 A837 W838 I843 Y844 W845 F852	V153-A841 HydrophobicContact CG1-CB 3.65Å; F158-A841 HydrophobicContact CB-CB 4.43Å; A837-A841 PolarHBondContact O-N 3.02Å; A837-A841 VanDerWaalsContact O-N 3.1Å; W838-A841 PolarHBondContact O-N 2.71Å; A841-I843 PolarHBondContact O-N 3.01Å; A841-Y844 WeakPolarHBondContact O-CB 3.39Å; A841-Y844 PolarHBondContact O-N 3.05Å; A841-W845 VanDerWaalsContact O-CD1 3.25Å; A841-W845 PolarHBondContact O-N 3.33Å; A841-F852 HydrophobicContact CB-CD1 4.25Å; A841-F852 HydrophobicContact CB-CD2 3.84Å; A841-F852 HydrophobicContact CB-CE1 3.98Å; A841-F852 HydrophobicContact CB-CE2 3.5Å; A841-F852 HydrophobicContact CB-CG 4.21Å; A841-F852 HydrophobicContact CB-CZ 3.59Å
842	A	92.5	Very high	92.1	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-42.6	179.2	0	0	0	0	0	111.3	V229 W838 S839 H846 F852	V229-A842 HydrophobicContact CG2-CB 4.18Å; W838-A842 WeakPolarHBondContact O-CB 3.46Å; W838-A842 PolarHBondContact O-N 3.46Å; S839-A842 PolarHBondContact O-N 2.96Å; A842-H846 WeakPolarHBondContact O-CB 3.23Å; A842-H846 PolarHBondContact O-N 3.5Å; A842-F852 HydrophobicContact CB-CB 4.4Å; A842-F852 HydrophobicContact CB-CD1 4.22Å
843	I	93.8	Very high	91.9	Very high	71 Å²	71	52.8 Å²	52.8	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-46.5	175	-68.7	165.8	0	0	0	110.4	V229 S839 A841 W845 H846 M847	V229-I843 HydrophobicContact CG1-CG1 3.87Å; S839-I843 WeakPolarHBondContact O-CB 3.49Å; S839-I843 WeakPolarHBondContact O-CD1 3.42Å; S839-I843 WeakPolarHBondContact O-CG1 3.41Å; S839-I843 PolarHBondContact O-N 3.44Å; A841-I843 PolarHBondContact O-N 3.01Å; I843-W845 PolarHBondContact O-N 2.92Å; I843-H846 PolarHBondContact O-N 3.46Å; I843-M847 HydrophobicContact CG2-CG 4.46Å; I843-M847 HydrophobicContact CG2-SD 4.21Å; I843-M847 WeakPolarHBondContact O-CG 3.1Å; I843-M847 PolarHBondContact O-N 2.94Å
844	Y	93.9	Very high	91.7	Very high	69 Å²	69	53 Å²	53	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-48.6	179.5	176.3	-94.8	0	0	0	112.7	F158 V840 A841 M847 K848	F158-Y844 HydrophobicContact CB-CD1 3.49Å; F158-Y844 VanDerWaalsContact CB-CD1 3.49Å; F158-Y844 HydrophobicContact CB-CE1 3.85Å; F158-Y844 HydrophobicContact CB-CG 4.01Å; F158-Y844 HydrophobicContact CD1-CD1 4.46Å; F158-Y844 HydrophobicContact CD1-CD2 4.5Å; F158-Y844 HydrophobicContact CD1-CG 4.13Å; F158-Y844 AromaticContact CD2-CD1 3.68Å; F158-Y844 HydrophobicContact CD2-CD1 3.68Å; F158-Y844 AromaticContact CD2-CD2 3.74Å; F158-Y844 HydrophobicContact CD2-CD2 3.74Å; F158-Y844 AromaticContact CD2-CE1 3.54Å; F158-Y844 HydrophobicContact CD2-CE1 3.54Å; F158-Y844 AromaticContact CD2-CE2 3.58Å; F158-Y844 HydrophobicContact CD2-CE2 3.58Å; F158-Y844 AromaticContact CD2-CG 3.74Å; F158-Y844 HydrophobicContact CD2-CG 3.74Å; F158-Y844 AromaticContact CD2-CZ 3.43Å; F158-Y844 VanDerWaalsContact CD2-CZ 3.43Å; F158-Y844 AromaticContact CE2-CD2 3.8Å; F158-Y844 HydrophobicContact CE2-CD2 3.8Å; F158-Y844 HydrophobicContact CE2-CE1 4.4Å; F158-Y844 AromaticContact CE2-CE2 3.6Å; F158-Y844 HydrophobicContact CE2-CE2 3.6Å; F158-Y844 HydrophobicContact CE2-CG 4.24Å; F158-Y844 AromaticContact CE2-CZ 3.89Å; F158-Y844 AromaticContact CG-CD1 3.62Å; F158-Y844 HydrophobicContact CG-CD1 3.62Å; F158-Y844 HydrophobicContact CG-CD2 4.1Å; F158-Y844 AromaticContact CG-CE1 3.93Å; F158-Y844 HydrophobicContact CG-CE1 3.93Å; F158-Y844 HydrophobicContact CG-CE2 4.37Å; F158-Y844 AromaticContact CG-CG 3.68Å; F158-Y844 HydrophobicContact CG-CG 3.68Å; F158-Y844 HydrophobicContact CZ-CD2 4.22Å; F158-Y844 HydrophobicContact CZ-CE2 4.4Å; V840-Y844 WeakPolarHBondContact O-CB 3.31Å; V840-Y844 PolarHBondContact O-N 3.05Å; A841-Y844 WeakPolarHBondContact O-CB 3.39Å; A841-Y844 PolarHBondContact O-N 3.05Å; Y844-M847 PolarHBondContact O-N 3.39Å; Y844-K848 HydrophobicContact CD1-CD 4.39Å; Y844-K848 HydrophobicContact CE1-CD 3.8Å; Y844-K848 VanDerWaalsContact CZ-CE 3.41Å; Y844-K848 VanDerWaalsContact CZ-NZ 3.28Å; Y844-K848 PolarHBondContact O-N 3.18Å; Y844-K848 WeakPolarHBondContact OH-CE 3.47Å; Y844-K848 PolarHBondContact OH-NZ 3.39Å
845	W	93.1	Very high	91.2	Very high	37 Å²	37	59.9 Å²	59.9	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-71.2	-35.1	179.2	-75	112	0	0	0	112.6	F158 K159 A841 I843 M847 K848 G849 K850 F852	F158-W845 PolarHBondContact O-NE1 3.46Å; K159-W845 HydrophobicContact CG-CZ2 4.13Å; A841-W845 VanDerWaalsContact O-CD1 3.25Å; A841-W845 PolarHBondContact O-N 3.33Å; I843-W845 PolarHBondContact O-N 2.92Å; W845-M847 VanDerWaalsContact C-N 3.35Å; W845-M847 PolarHBondContact O-N 2.91Å; W845-K848 HydrophobicContact CE3-CB 4.44Å; W845-K848 HydrophobicContact CE3-CD 4.33Å; W845-K848 HydrophobicContact CZ3-CD 4.35Å; W845-K848 CarbonylContact O-C 3.59Å; W845-K848 WeakPolarHBondContact O-CA 3.07Å; W845-K848 PolarHBondContact O-N 3.39Å; W845-G849 PolarHBondContact O-N 2.95Å; W845-K850 CarbonylContact C-O 3.35Å; W845-K850 WeakPolarHBondContact CB-O 3.35Å; W845-K850 HydrophobicContact CE3-CB 3.79Å; W845-K850 HydrophobicContact CE3-CD 3.93Å; W845-K850 HydrophobicContact CE3-CG 4.46Å; W845-K850 HydrophobicContact CZ3-CB 4.38Å; W845-K850 HydrophobicContact CZ3-CD 3.67Å; W845-K850 PolarHBondContact O-N 3.31Å; W845-F852 HydrophobicContact CB-CB 4.25Å; W845-F852 AromaticContact CD1-CD2 3.59Å; W845-F852 HydrophobicContact CG-CB 4.4Å; W845-F852 AromaticContact NE1-CD2 3.96Å
846	H	92.4	Very high	90.4	Very high	135 Å²	135	60.4 Å²	60.4	63%	0.625	32%	0.317	S	S	*	.	H	α-helix	trans	-61.2	-42.7	173.5	-170.8	74.6	0	0	0	111.7	V229 A842 I843 K848 G849	V229-H846 HydrophobicContact CG2-CB 3.57Å; A842-H846 WeakPolarHBondContact O-CB 3.23Å; A842-H846 PolarHBondContact O-N 3.5Å; I843-H846 PolarHBondContact O-N 3.46Å; H846-K848 PolarHBondContact O-N 2.98Å; H846-G849 PolarHBondContact O-N 2.72Å
847	M	93.3	Very high	89.5	Confident	160 Å²	160	58.2 Å²	58.2	79%	0.788	32%	0.317	S	S	*	.	H	α-helix	trans	-61.7	-28.7	173.1	-72	-178.5	72.2	0	0	112.8	I843 Y844 W845	I843-M847 HydrophobicContact CG2-CG 4.46Å; I843-M847 HydrophobicContact CG2-SD 4.21Å; I843-M847 WeakPolarHBondContact O-CG 3.1Å; I843-M847 PolarHBondContact O-N 2.94Å; Y844-M847 PolarHBondContact O-N 3.39Å; W845-M847 VanDerWaalsContact C-N 3.35Å; W845-M847 PolarHBondContact O-N 2.91Å
848	K	92.4	Very high	88.8	Confident	117 Å²	117	59.5 Å²	59.5	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	2	174.5	-70.9	-172.9	168.4	-169.9	0	114	Y844 W845 H846 K850	Y844-K848 HydrophobicContact CD1-CD 4.39Å; Y844-K848 HydrophobicContact CE1-CD 3.8Å; Y844-K848 VanDerWaalsContact CZ-CE 3.41Å; Y844-K848 VanDerWaalsContact CZ-NZ 3.28Å; Y844-K848 PolarHBondContact O-N 3.18Å; Y844-K848 WeakPolarHBondContact OH-CE 3.47Å; Y844-K848 PolarHBondContact OH-NZ 3.39Å; W845-K848 HydrophobicContact CE3-CB 4.44Å; W845-K848 HydrophobicContact CE3-CD 4.33Å; W845-K848 HydrophobicContact CZ3-CD 4.35Å; W845-K848 CarbonylContact O-C 3.59Å; W845-K848 WeakPolarHBondContact O-CA 3.07Å; W845-K848 PolarHBondContact O-N 3.39Å; H846-K848 PolarHBondContact O-N 2.98Å; K848-K850 VanDerWaalsContact C-N 3.28Å; K848-K850 PolarHBondContact O-N 3.44Å
849	G	91	Very high	88.3	Confident	71 Å²	71	59.9 Å²	59.9	73%	0.732	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	21.8	-178.7	0	0	0	0	0	114.6	W845 H846	W845-G849 PolarHBondContact O-N 2.95Å; H846-G849 PolarHBondContact O-N 2.72Å
850	K	91.6	Very high	87.9	Confident	129 Å²	129	60 Å²	60	56%	0.561	33%	0.328	S	S	*	.			trans	-117.5	150.6	178.6	-70.9	177.1	175.9	-174.9	0	110.6	W845 K848	W845-K850 CarbonylContact C-O 3.35Å; W845-K850 WeakPolarHBondContact CB-O 3.35Å; W845-K850 HydrophobicContact CE3-CB 3.79Å; W845-K850 HydrophobicContact CE3-CD 3.93Å; W845-K850 HydrophobicContact CE3-CG 4.46Å; W845-K850 HydrophobicContact CZ3-CB 4.38Å; W845-K850 HydrophobicContact CZ3-CD 3.67Å; W845-K850 PolarHBondContact O-N 3.31Å; K848-K850 VanDerWaalsContact C-N 3.28Å; K848-K850 PolarHBondContact O-N 3.44Å
851	P	89.7	Confident	87.6	Confident	84 Å²	84	58.3 Å²	58.3	55%	0.545	32%	0.316	S	S	.	.			trans	-73.2	145.6	172.7	30.1	-33.2	0	0	0	111	V226 V853	V226-P851 HydrophobicContact CG1-CB 3.73Å; P851-V853 HydrophobicContact CG-CG2 4.41Å; P851-V853 PolarHBondContact O-N 3.18Å
852	F	91.4	Very high	87.4	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	102.7	168.5	174.9	-127.6	0	0	0	108.8	F158 V226 V227 W838 A841 A842 W845 V854	F158-F852 WeakPolarHBondContact O-CE2 3.48Å; V226-F852 WeakPolarHBondContact CA-O 3.36Å; V227-F852 HydrophobicContact CB-CD1 3.83Å; V227-F852 HydrophobicContact CB-CE1 4.21Å; V227-F852 HydrophobicContact CG1-CD1 4.4Å; V227-F852 PolarHBondContact N-O 3.4Å; W838-F852 HydrophobicContact CB-CE1 4.04Å; W838-F852 HydrophobicContact CD2-CE1 4.5Å; W838-F852 AromaticContact CG-CE1 3.94Å; W838-F852 HydrophobicContact CG-CE1 3.94Å; W838-F852 HydrophobicContact CG-CZ 4.47Å; A841-F852 HydrophobicContact CB-CD1 4.25Å; A841-F852 HydrophobicContact CB-CD2 3.84Å; A841-F852 HydrophobicContact CB-CE1 3.98Å; A841-F852 HydrophobicContact CB-CE2 3.5Å; A841-F852 HydrophobicContact CB-CG 4.21Å; A841-F852 HydrophobicContact CB-CZ 3.59Å; A842-F852 HydrophobicContact CB-CB 4.4Å; A842-F852 HydrophobicContact CB-CD1 4.22Å; W845-F852 HydrophobicContact CB-CB 4.25Å; W845-F852 AromaticContact CD1-CD2 3.59Å; W845-F852 HydrophobicContact CG-CB 4.4Å; W845-F852 AromaticContact NE1-CD2 3.96Å; F852-V854 HydrophobicContact CD1-CG2 3.81Å; F852-V854 HydrophobicContact CE1-CG2 3.34Å; F852-V854 HydrophobicContact CE2-CG2 4.24Å; F852-V854 HydrophobicContact CG-CG2 4.4Å; F852-V854 HydrophobicContact CZ-CG2 3.6Å
853	V	87.3	Confident	87.3	Confident	76 Å²	76	58.6 Å²	58.6	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128	-177.1	-177.5	0	0	0	0	109	S160 N225 P851	S160-V853 PolarHBondContact OG-O 2.77Å; S160-V853 VanDerWaalsContact OG-O 3.12Å; N225-V853 WeakPolarHBondContact O-CA 3.28Å; N225-V853 WeakPolarHBondContact O-CG1 3.41Å; P851-V853 HydrophobicContact CG-CG2 4.41Å; P851-V853 PolarHBondContact O-N 3.18Å
854	V	85.5	Confident	87.1	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.03	31%	0.306	C	S	.	.			trans	-131.9	108.8	175.7	-174.6	0	0	0	0	107.1	L219 N225 V227 W838 F852 A856	L219-V854 HydrophobicContact CD2-CB 4.27Å; L219-V854 HydrophobicContact CD2-CG1 3.79Å; N225-V854 CarbonylContact C-O 3.24Å; N225-V854 VanDerWaalsContact C-O 3.24Å; N225-V854 WeakPolarHBondContact CA-O 3.42Å; N225-V854 PolarHBondContact O-N 2.89Å; V227-V854 HydrophobicContact CB-CG2 4.16Å; V227-V854 HydrophobicContact CG2-CB 4.1Å; V227-V854 HydrophobicContact CG2-CG2 3.68Å; W838-V854 HydrophobicContact CH2-CG1 4.21Å; W838-V854 HydrophobicContact CZ2-CG1 3.97Å; F852-V854 HydrophobicContact CD1-CG2 3.81Å; F852-V854 HydrophobicContact CE1-CG2 3.34Å; F852-V854 HydrophobicContact CE2-CG2 4.24Å; F852-V854 HydrophobicContact CG-CG2 4.4Å; F852-V854 HydrophobicContact CZ-CG2 3.6Å; V854-A856 PolarHBondContact O-N 3.38Å
855	E	79.8	Confident	86.9	Confident	144 Å²	144	53.7 Å²	53.7	67%	0.673	30%	0.298	S	S	*	.			trans	-68.7	121.9	-178	-63.7	-171.9	179.4	0	0	110.4
856	A	74.6	Confident	86.9	Confident	11 Å²	11	52.1 Å²	52.1	9%	0.091	29%	0.292	C	S	.	.			trans	-72.3	-36.5	-174	0	0	0	0	0	112.8	L219 N225 V854 L859 A860	L219-A856 HydrophobicContact CB-CB 4.18Å; N225-A856 WeakPolarHBondContact OD1-CB 3.48Å; N225-A856 PolarHBondContact OD1-N 3.3Å; V854-A856 PolarHBondContact O-N 3.38Å; A856-L859 PolarHBondContact O-N 3.07Å; A856-A860 HydrophobicContact CB-CB 4.16Å; A856-A860 VanDerWaalsContact O-CB 3.26Å; A856-A860 WeakPolarHBondContact O-CB 3.18Å; A856-A860 PolarHBondContact O-N 3.05Å
857	G	74	Confident	86.8	Confident	39 Å²	39	46.6 Å²	46.6	40%	0.402	27%	0.268	S	S	.	.	H	α-helix	trans	-10.5	-103	-172.6	0	0	0	0	0	117.3	L859 A860 F861	G857-L859 VanDerWaalsContact C-N 3.31Å; G857-L859 PolarHBondContact O-N 2.77Å; G857-A860 PolarHBondContact O-N 3.26Å; G857-F861 PolarHBondContact O-N 3.42Å
858	S	77.3	Confident	86.7	Confident	27 Å²	27	44.1 Å²	44.1	19%	0.189	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-30	-174.5	59.8	0	0	0	0	113.6	F861 S862 E917	S858-F861 PolarHBondContact O-N 3.37Å; S858-S862 WeakPolarHBondContact O-CB 3.37Å; S858-S862 PolarHBondContact O-N 3.34Å; S858-S862 PolarHBondContact O-OG 2.99Å; S858-E917 WeakPolarHBondContact CA-OE2 3.16Å; S858-E917 WeakPolarHBondContact CB-OE2 3.12Å
859	L	82.1	Confident	86.8	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-46.4	179.6	-176.3	63.9	0	0	0	111.5	P165 V169 L219 W838 A856 G857 F861 S862 V863	P165-L859 HydrophobicContact CB-CD1 3.94Å; P165-L859 HydrophobicContact CB-CD2 3.74Å; V169-L859 HydrophobicContact CG2-CD1 3.84Å; L219-L859 HydrophobicContact CD1-CD2 3.66Å; L219-L859 HydrophobicContact CD1-CG 3.97Å; W838-L859 HydrophobicContact CH2-CD2 4.29Å; W838-L859 HydrophobicContact CZ2-CD2 4.28Å; A856-L859 PolarHBondContact O-N 3.07Å; G857-L859 VanDerWaalsContact C-N 3.31Å; G857-L859 PolarHBondContact O-N 2.77Å; L859-F861 VanDerWaalsContact C-N 3.34Å; L859-F861 PolarHBondContact O-N 3.09Å; L859-S862 PolarHBondContact O-N 3.25Å; L859-V863 HydrophobicContact CD1-CG2 4.5Å; L859-V863 WeakPolarHBondContact O-CB 3.36Å; L859-V863 WeakPolarHBondContact O-CG2 3.4Å; L859-V863 PolarHBondContact O-N 3.47Å
860	A	85.3	Confident	86.7	Confident	5 Å²	5	36.4 Å²	36.4	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-41.7	177.6	0	0	0	0	0	110.7	A856 G857 V863 T864	A856-A860 HydrophobicContact CB-CB 4.16Å; A856-A860 VanDerWaalsContact O-CB 3.26Å; A856-A860 WeakPolarHBondContact O-CB 3.18Å; A856-A860 PolarHBondContact O-N 3.05Å; G857-A860 PolarHBondContact O-N 3.26Å; A860-V863 PolarHBondContact O-N 3.02Å; A860-T864 WeakPolarHBondContact O-CG2 3.49Å; A860-T864 PolarHBondContact O-N 3.5Å; A860-T864 PolarHBondContact O-OG1 3.06Å
861	F	87.1	Confident	86.7	Confident	27 Å²	27	35.3 Å²	35.3	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-52.5	174.2	-177.5	-95.7	0	0	0	111.8	G857 S858 L859 V863 T864 L865 F913 E917 F925	G857-F861 PolarHBondContact O-N 3.42Å; S858-F861 PolarHBondContact O-N 3.37Å; L859-F861 VanDerWaalsContact C-N 3.34Å; L859-F861 PolarHBondContact O-N 3.09Å; F861-V863 VanDerWaalsContact C-N 3.31Å; F861-V863 PolarHBondContact O-N 3.08Å; F861-T864 PolarHBondContact O-N 2.84Å; F861-T864 PolarHBondContact O-OG1 3.34Å; F861-L865 HydrophobicContact CE1-CD2 4.35Å; F861-L865 PolarHBondContact O-N 3.36Å; F861-F913 HydrophobicContact CE1-CB 4.13Å; F861-F913 WeakPolarHBondContact CE1-O 3.25Å; F861-F913 HydrophobicContact CZ-CB 4.28Å; F861-E917 HydrophobicContact CB-CG 4.02Å; F861-E917 HydrophobicContact CD1-CB 3.63Å; F861-E917 HydrophobicContact CD1-CG 3.78Å; F861-E917 HydrophobicContact CD2-CG 4.03Å; F861-E917 HydrophobicContact CE1-CB 3.71Å; F861-E917 HydrophobicContact CE1-CG 4.24Å; F861-E917 HydrophobicContact CE2-CG 4.45Å; F861-E917 HydrophobicContact CG-CB 4.06Å; F861-E917 HydrophobicContact CG-CG 3.66Å; F861-E917 HydrophobicContact CZ-CB 4.18Å; F861-F925 HydrophobicContact CD2-CD2 4.39Å
862	S	87.3	Confident	86.8	Confident	8 Å²	8	35.2 Å²	35.2	6%	0.056	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-39.8	178	-71	0	0	0	0	112.6	S858 L859 L865 F866 Y910 S914	S858-S862 WeakPolarHBondContact O-CB 3.37Å; S858-S862 PolarHBondContact O-N 3.34Å; S858-S862 PolarHBondContact O-OG 2.99Å; L859-S862 PolarHBondContact O-N 3.25Å; S862-L865 PolarHBondContact O-N 3.1Å; S862-F866 WeakPolarHBondContact O-CB 3.5Å; S862-F866 PolarHBondContact O-N 3Å; S862-Y910 WeakPolarHBondContact O-CE2 3.28Å; S862-S914 WeakPolarHBondContact OG-CB 3.24Å; S862-S914 PolarHBondContact OG-OG 3.28Å; S862-S914 VanDerWaalsContact OG-OG 3.07Å
863	V	90.2	Very high	86.7	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.1	171.3	0	0	0	0	111.4	V169 Y212 L215 L859 A860 F861 L865 F866 T867	V169-V863 HydrophobicContact CG1-CG2 4.02Å; V169-V863 HydrophobicContact CG2-CG2 3.69Å; Y212-V863 HydrophobicContact CD1-CG1 4.46Å; Y212-V863 WeakPolarHBondContact O-CG1 3.5Å; L215-V863 HydrophobicContact CD2-CG2 3.73Å; L215-V863 HydrophobicContact CG-CG2 4.3Å; L859-V863 HydrophobicContact CD1-CG2 4.5Å; L859-V863 WeakPolarHBondContact O-CB 3.36Å; L859-V863 WeakPolarHBondContact O-CG2 3.4Å; L859-V863 PolarHBondContact O-N 3.47Å; A860-V863 PolarHBondContact O-N 3.02Å; F861-V863 VanDerWaalsContact C-N 3.31Å; F861-V863 PolarHBondContact O-N 3.08Å; V863-L865 PolarHBondContact O-N 2.94Å; V863-F866 PolarHBondContact O-N 2.85Å; V863-T867 WeakPolarHBondContact O-CG2 3.45Å; V863-T867 PolarHBondContact O-N 3.41Å; V863-T867 PolarHBondContact O-OG1 3.4Å
864	T	89.1	Confident	86.7	Confident	19 Å²	19	32.3 Å²	32.3	12%	0.117	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-45.5	176.9	59.6	0	0	0	0	111.5	Y216 A860 F861 F866 T867 I868 F925	Y216-T864 HydrophobicContact CD2-CG2 3.36Å; Y216-T864 HydrophobicContact CE2-CG2 3.29Å; Y216-T864 HydrophobicContact CG-CG2 4.19Å; A860-T864 WeakPolarHBondContact O-CG2 3.49Å; A860-T864 PolarHBondContact O-N 3.5Å; A860-T864 PolarHBondContact O-OG1 3.06Å; F861-T864 PolarHBondContact O-N 2.84Å; F861-T864 PolarHBondContact O-OG1 3.34Å; T864-F866 PolarHBondContact O-N 2.82Å; T864-T867 PolarHBondContact O-N 2.98Å; T864-T867 PolarHBondContact O-OG1 3.44Å; T864-I868 WeakPolarHBondContact O-CG1 3.18Å; T864-I868 PolarHBondContact O-N 2.88Å; T864-I868 VanDerWaalsContact O-N 3.16Å; T864-F925 HydrophobicContact CG2-CE2 4.41Å
865	L	90.9	Very high	86.9	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.094	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-45	178.5	-171.9	64.2	0	0	0	111.8	F861 S862 V863 T867 I868 F869 Y910 F913	F861-L865 HydrophobicContact CE1-CD2 4.35Å; F861-L865 PolarHBondContact O-N 3.36Å; S862-L865 PolarHBondContact O-N 3.1Å; V863-L865 PolarHBondContact O-N 2.94Å; L865-T867 PolarHBondContact O-N 2.96Å; L865-I868 PolarHBondContact O-N 2.9Å; L865-F869 HydrophobicContact CD1-CD2 4.43Å; L865-F869 HydrophobicContact CD1-CE1 4Å; L865-F869 HydrophobicContact CD1-CE2 3.8Å; L865-F869 HydrophobicContact CD1-CZ 3.55Å; L865-F869 HydrophobicContact CD2-CE2 4.35Å; L865-F869 HydrophobicContact CG-CD2 4.26Å; L865-F869 HydrophobicContact CG-CE2 3.89Å; L865-F869 HydrophobicContact CG-CZ 4.19Å; L865-F869 PolarHBondContact O-N 3.4Å; L865-F869 VanDerWaalsContact O-N 3.1Å; L865-Y910 HydrophobicContact CB-CD2 4.36Å; L865-Y910 HydrophobicContact CD2-CD2 3.85Å; L865-Y910 HydrophobicContact CG-CD2 4.05Å; L865-F913 HydrophobicContact CD1-CD2 4.25Å; L865-F913 HydrophobicContact CD2-CB 3.64Å; L865-F913 HydrophobicContact CD2-CD2 4.25Å; L865-F913 HydrophobicContact CD2-CG 4.46Å
866	F	91.8	Very high	87.4	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-47.6	175.5	171.3	-102.4	0	0	0	111.6	V169 A172 A173 M176 F177 Y212 S862 V863 T864 I868 F869 A870 Y910	V169-F866 HydrophobicContact CG1-CB 4.43Å; A172-F866 HydrophobicContact CB-CE2 4.25Å; A172-F866 HydrophobicContact CB-CZ 4.04Å; A173-F866 HydrophobicContact CB-CD2 3.84Å; A173-F866 HydrophobicContact CB-CE2 4.3Å; M176-F866 HydrophobicContact CB-CE2 4.21Å; F177-F866 HydrophobicContact CE2-CD2 4.08Å; F177-F866 HydrophobicContact CE2-CE2 4.44Å; F177-F866 AromaticContact CZ-CD2 3.98Å; F177-F866 HydrophobicContact CZ-CD2 3.98Å; F177-F866 HydrophobicContact CZ-CE2 4.15Å; Y212-F866 AromaticContact CD1-CD1 3.72Å; Y212-F866 HydrophobicContact CD1-CD1 3.72Å; Y212-F866 AromaticContact CD1-CE1 3.92Å; Y212-F866 HydrophobicContact CD1-CE1 3.92Å; Y212-F866 AromaticContact CD2-CD1 4Å; Y212-F866 HydrophobicContact CD2-CD1 4Å; Y212-F866 AromaticContact CD2-CE1 3.39Å; Y212-F866 HydrophobicContact CD2-CE1 3.39Å; Y212-F866 HydrophobicContact CD2-CZ 4.36Å; Y212-F866 HydrophobicContact CE1-CD1 4.17Å; Y212-F866 HydrophobicContact CE1-CE1 4.14Å; Y212-F866 HydrophobicContact CE2-CD1 4.43Å; Y212-F866 AromaticContact CE2-CE1 3.65Å; Y212-F866 HydrophobicContact CE2-CE1 3.65Å; Y212-F866 HydrophobicContact CE2-CZ 4.25Å; Y212-F866 AromaticContact CG-CD1 3.64Å; Y212-F866 HydrophobicContact CG-CD1 3.64Å; Y212-F866 AromaticContact CG-CE1 3.55Å; Y212-F866 HydrophobicContact CG-CE1 3.55Å; S862-F866 WeakPolarHBondContact O-CB 3.5Å; S862-F866 PolarHBondContact O-N 3Å; V863-F866 PolarHBondContact O-N 2.85Å; T864-F866 PolarHBondContact O-N 2.82Å; F866-I868 VanDerWaalsContact C-N 3.35Å; F866-I868 PolarHBondContact O-N 3.46Å; F866-F869 PolarHBondContact O-N 2.03Å; F866-A870 HydrophobicContact CE1-CB 4.24Å; F866-A870 HydrophobicContact CE2-CB 4.37Å; F866-A870 HydrophobicContact CZ-CB 4.11Å; F866-A870 WeakPolarHBondContact O-CB 3.34Å; F866-A870 PolarHBondContact O-N 3.36Å; F866-Y910 HydrophobicContact CB-CE2 4.01Å
867	T	90.6	Very high	88	Confident	20 Å²	20	29.4 Å²	29.4	12%	0.123	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-42.3	-178.7	57.3	0	0	0	0	112.4	I213 V863 T864 L865 A870 F871	I213-T867 HydrophobicContact CG1-CG2 4.12Å; V863-T867 WeakPolarHBondContact O-CG2 3.45Å; V863-T867 PolarHBondContact O-N 3.41Å; V863-T867 PolarHBondContact O-OG1 3.4Å; T864-T867 PolarHBondContact O-N 2.98Å; T864-T867 PolarHBondContact O-OG1 3.44Å; L865-T867 PolarHBondContact O-N 2.96Å; T867-A870 PolarHBondContact O-N 2.96Å; T867-F871 VanDerWaalsContact O-CD2 3.23Å; T867-F871 WeakPolarHBondContact O-CD2 3.17Å; T867-F871 PolarHBondContact O-N 3.25Å
868	I	91.9	Very high	88.5	Confident	107 Å²	107	30.7 Å²	30.7	55%	0.549	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-49	176.9	-65.2	167.1	0	0	0	110.5	T864 L865 F866 A870 F871 L872	T864-I868 WeakPolarHBondContact O-CG1 3.18Å; T864-I868 PolarHBondContact O-N 2.88Å; T864-I868 VanDerWaalsContact O-N 3.16Å; L865-I868 PolarHBondContact O-N 2.9Å; F866-I868 VanDerWaalsContact C-N 3.35Å; F866-I868 PolarHBondContact O-N 3.46Å; I868-A870 VanDerWaalsContact C-N 3.34Å; I868-A870 PolarHBondContact O-N 3.42Å; I868-F871 PolarHBondContact O-N 2.95Å; I868-L872 PolarHBondContact O-N 2.98Å; I868-L872 VanDerWaalsContact O-N 3.16Å
869	F	93.7	Very high	89.1	Confident	24 Å²	24	35.8 Å²	35.8	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-31.9	-180	-68.9	-6.6	0	0	0	112.5	F177 L865 F866 L872 A873 L906 L909	F177-F869 HydrophobicContact CE1-CB 3.98Å; F177-F869 HydrophobicContact CE2-CB 4.04Å; F177-F869 HydrophobicContact CE2-CD2 4.47Å; F177-F869 HydrophobicContact CZ-CB 3.38Å; L865-F869 HydrophobicContact CD1-CD2 4.43Å; L865-F869 HydrophobicContact CD1-CE1 4Å; L865-F869 HydrophobicContact CD1-CE2 3.8Å; L865-F869 HydrophobicContact CD1-CZ 3.55Å; L865-F869 HydrophobicContact CD2-CE2 4.35Å; L865-F869 HydrophobicContact CG-CD2 4.26Å; L865-F869 HydrophobicContact CG-CE2 3.89Å; L865-F869 HydrophobicContact CG-CZ 4.19Å; L865-F869 PolarHBondContact O-N 3.4Å; L865-F869 VanDerWaalsContact O-N 3.1Å; F866-F869 PolarHBondContact O-N 2.03Å; F869-L872 PolarHBondContact O-N 3.44Å; F869-A873 WeakPolarHBondContact O-CB 3.29Å; F869-A873 PolarHBondContact O-N 3.46Å; F869-L906 HydrophobicContact CB-CD2 4.42Å; F869-L906 HydrophobicContact CD1-CD2 3.9Å; F869-L906 HydrophobicContact CD2-CB 4.41Å; F869-L906 HydrophobicContact CD2-CD2 4.22Å; F869-L906 HydrophobicContact CE1-CD2 4.18Å; F869-L906 HydrophobicContact CE2-CD2 4.47Å; F869-L906 HydrophobicContact CG-CD2 3.93Å; F869-L906 HydrophobicContact CZ-CD2 4.45Å; F869-L909 HydrophobicContact CE2-CB 4.03Å; F869-L909 HydrophobicContact CZ-CB 4.17Å
870	A	90.1	Very high	89.4	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-43.5	174.5	0	0	0	0	0	111.4	F866 T867 I868 L872 A873 V874	F866-A870 HydrophobicContact CE1-CB 4.24Å; F866-A870 HydrophobicContact CE2-CB 4.37Å; F866-A870 HydrophobicContact CZ-CB 4.11Å; F866-A870 WeakPolarHBondContact O-CB 3.34Å; F866-A870 PolarHBondContact O-N 3.36Å; T867-A870 PolarHBondContact O-N 2.96Å; I868-A870 VanDerWaalsContact C-N 3.34Å; I868-A870 PolarHBondContact O-N 3.42Å; A870-L872 VanDerWaalsContact C-N 3.32Å; A870-L872 PolarHBondContact O-N 2.94Å; A870-A873 PolarHBondContact O-N 2.82Å; A870-V874 WeakPolarHBondContact O-CG2 3.32Å; A870-V874 PolarHBondContact O-N 3.18Å
871	F	90.5	Very high	89.3	Confident	106 Å²	106	39.7 Å²	39.7	47%	0.465	20%	0.196	S	C	.	.	H	α-helix	trans	-59.8	-42.4	172.7	-87.8	-68.3	0	0	0	112.1	I209 I213 T867 I868 S875	I209-F871 HydrophobicContact CD1-CD1 4.21Å; I209-F871 HydrophobicContact CD1-CE1 4.17Å; I209-F871 HydrophobicContact CG2-CD2 4.22Å; I209-F871 HydrophobicContact CG2-CE1 4.28Å; I209-F871 HydrophobicContact CG2-CE2 3.56Å; I209-F871 HydrophobicContact CG2-CZ 3.6Å; I213-F871 HydrophobicContact CD1-CE2 4.2Å; I213-F871 HydrophobicContact CD1-CZ 4.36Å; T867-F871 VanDerWaalsContact O-CD2 3.23Å; T867-F871 WeakPolarHBondContact O-CD2 3.17Å; T867-F871 PolarHBondContact O-N 3.25Å; I868-F871 PolarHBondContact O-N 2.95Å; F871-S875 VanDerWaalsContact O-CB 3.28Å; F871-S875 WeakPolarHBondContact O-CB 3.46Å; F871-S875 PolarHBondContact O-N 2.87Å; F871-S875 PolarHBondContact O-OG 3.23Å
872	L	91.6	Very high	89.1	Confident	83 Å²	83	46.3 Å²	46.3	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-63.2	-46.8	175.8	-178	65.7	0	0	0	111.3	I868 F869 A870 S875 V876 L906	I868-L872 PolarHBondContact O-N 2.98Å; I868-L872 VanDerWaalsContact O-N 3.16Å; F869-L872 PolarHBondContact O-N 3.44Å; A870-L872 VanDerWaalsContact C-N 3.32Å; A870-L872 PolarHBondContact O-N 2.94Å; L872-S875 WeakPolarHBondContact O-CB 3.31Å; L872-S875 PolarHBondContact O-N 2.95Å; L872-V876 VanDerWaalsContact O-CG2 3.32Å; L872-V876 WeakPolarHBondContact O-CG2 3.33Å; L872-V876 PolarHBondContact O-N 2.91Å; L872-L906 HydrophobicContact CD2-CD1 4.01Å; L872-L906 HydrophobicContact CD2-CD2 3.73Å; L872-L906 HydrophobicContact CD2-CG 4.47Å; L872-L906 HydrophobicContact CG-CD1 4.48Å
873	A	90.6	Very high	88.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-48.3	179.3	0	0	0	0	0	112.1	F177 F869 A870 S875 V876 L877 F903	F177-A873 HydrophobicContact CD1-CB 4.14Å; F177-A873 HydrophobicContact CE1-CB 3.92Å; F869-A873 WeakPolarHBondContact O-CB 3.29Å; F869-A873 PolarHBondContact O-N 3.46Å; A870-A873 PolarHBondContact O-N 2.82Å; A873-S875 VanDerWaalsContact C-N 3.32Å; A873-S875 PolarHBondContact O-N 3.43Å; A873-V876 PolarHBondContact O-N 2.88Å; A873-L877 WeakPolarHBondContact O-CG 3.46Å; A873-L877 PolarHBondContact O-N 3.27Å; A873-F903 HydrophobicContact CB-CE1 3.8Å; A873-F903 HydrophobicContact CB-CZ 3.95Å
874	V	87.6	Confident	87.5	Confident	18 Å²	18	58.2 Å²	58.2	11%	0.109	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-41.6	175.7	174.2	0	0	0	0	111	M176 I209 A870 V876 L877 L878	M176-V874 HydrophobicContact CE-CG2 3.37Å; I209-V874 HydrophobicContact CD1-CG2 4.23Å; A870-V874 WeakPolarHBondContact O-CG2 3.32Å; A870-V874 PolarHBondContact O-N 3.18Å; V874-V876 VanDerWaalsContact C-N 3.32Å; V874-V876 PolarHBondContact O-N 3.23Å; V874-L877 PolarHBondContact O-N 3.04Å; V874-L878 HydrophobicContact CG1-CD1 4.06Å; V874-L878 HydrophobicContact CG1-CG 4.33Å; V874-L878 WeakPolarHBondContact O-CG 3.12Å; V874-L878 PolarHBondContact O-N 3.24Å
875	S	88.2	Confident	87	Confident	70 Å²	70	57.9 Å²	57.9	49%	0.49	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-39.6	176.5	-60.9	0	0	0	0	112.2	F871 L872 A873 L878 Y879	F871-S875 VanDerWaalsContact O-CB 3.28Å; F871-S875 WeakPolarHBondContact O-CB 3.46Å; F871-S875 PolarHBondContact O-N 2.87Å; F871-S875 PolarHBondContact O-OG 3.23Å; L872-S875 WeakPolarHBondContact O-CB 3.31Å; L872-S875 PolarHBondContact O-N 2.95Å; A873-S875 VanDerWaalsContact C-N 3.32Å; A873-S875 PolarHBondContact O-N 3.43Å; S875-L878 PolarHBondContact O-N 3.43Å; S875-Y879 WeakPolarHBondContact O-CB 3.18Å; S875-Y879 PolarHBondContact O-N 2.88Å
876	V	90.8	Very high	86.3	Confident	27 Å²	27	57.9 Å²	57.9	16%	0.164	29%	0.294	C	S	.	.	H	α-helix	trans	-65.7	-42.5	175.2	173.3	0	0	0	0	111.3	L872 A873 V874 Y879 R880 T899 F903	L872-V876 VanDerWaalsContact O-CG2 3.32Å; L872-V876 WeakPolarHBondContact O-CG2 3.33Å; L872-V876 PolarHBondContact O-N 2.91Å; A873-V876 PolarHBondContact O-N 2.88Å; V874-V876 VanDerWaalsContact C-N 3.32Å; V874-V876 PolarHBondContact O-N 3.23Å; V876-Y879 PolarHBondContact O-N 2.83Å; V876-R880 WeakPolarHBondContact O-CG 3.3Å; V876-R880 PolarHBondContact O-N 3.06Å; V876-T899 HydrophobicContact CG1-CG2 3.96Å; V876-F903 HydrophobicContact CB-CE2 4.19Å; V876-F903 HydrophobicContact CG1-CE2 3.81Å
877	L	87.7	Confident	85.9	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-45.4	175.6	-67.5	175	0	0	0	111.7	I180 A873 V874 Y879 R880 R881 F903	I180-L877 HydrophobicContact CD1-CD1 4.15Å; I180-L877 HydrophobicContact CG2-CD1 4.22Å; I180-L877 HydrophobicContact CG2-CD2 3.9Å; A873-L877 WeakPolarHBondContact O-CG 3.46Å; A873-L877 PolarHBondContact O-N 3.27Å; V874-L877 PolarHBondContact O-N 3.04Å; L877-Y879 VanDerWaalsContact C-N 3.32Å; L877-Y879 PolarHBondContact O-N 3.12Å; L877-R880 PolarHBondContact O-N 3.21Å; L877-R881 PolarHBondContact O-N 3.37Å; L877-F903 HydrophobicContact CD2-CZ 4.04Å; L877-F903 HydrophobicContact CG-CZ 4.01Å
878	L	85.3	Confident	85.6	Confident	66 Å²	66	56.9 Å²	56.9	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-36.2	176.4	-67.5	177.1	0	0	0	112.2	F202 V874 S875 R881	F202-L878 HydrophobicContact CE1-CD1 4.3Å; F202-L878 HydrophobicContact CE1-CD2 3.82Å; F202-L878 HydrophobicContact CZ-CD2 3.95Å; V874-L878 HydrophobicContact CG1-CD1 4.06Å; V874-L878 HydrophobicContact CG1-CG 4.33Å; V874-L878 WeakPolarHBondContact O-CG 3.12Å; V874-L878 PolarHBondContact O-N 3.24Å; S875-L878 PolarHBondContact O-N 3.43Å; L878-R881 VanDerWaalsContact O-CB 3.28Å; L878-R881 WeakPolarHBondContact O-CB 3.24Å; L878-R881 PolarHBondContact O-N 2.94Å
879	Y	88.2	Confident	85.4	Confident	134 Å²	134	51.8 Å²	51.8	53%	0.525	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-41.1	175	179	-99.2	0	0	0	112.1	S875 V876 L877 R881 R882 I885	S875-Y879 WeakPolarHBondContact O-CB 3.18Å; S875-Y879 PolarHBondContact O-N 2.88Å; V876-Y879 PolarHBondContact O-N 2.83Å; L877-Y879 VanDerWaalsContact C-N 3.32Å; L877-Y879 PolarHBondContact O-N 3.12Å; Y879-R881 PolarHBondContact O-N 2.93Å; Y879-R882 WeakPolarHBondContact O-CB 3.16Å; Y879-R882 WeakPolarHBondContact O-CG 3.41Å; Y879-R882 PolarHBondContact O-N 3.42Å; Y879-I885 HydrophobicContact CD1-CD1 4.37Å; Y879-I885 HydrophobicContact CE1-CD1 4.11Å
880	R	88.3	Confident	85.1	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-17.6	179	-73.6	-179.6	68.1	-148.2	-7.3	114.2	V876 L877 R882 I885 E888 G890 T899	V876-R880 WeakPolarHBondContact O-CG 3.3Å; V876-R880 PolarHBondContact O-N 3.06Å; L877-R880 PolarHBondContact O-N 3.21Å; R880-R882 PolarHBondContact O-N 3.28Å; R880-I885 HydrophobicContact CB-CG2 4.11Å; R880-I885 HydrophobicContact CG-CD1 4.13Å; R880-I885 HydrophobicContact CG-CG2 4.29Å; R880-I885 WeakPolarHBondContact O-CB 3.25Å; R880-E888 PolarHBondContact NH1-O 3.48Å; R880-E888 PolarHBondContact NH2-O 2.04Å; R880-G890 PolarHBondContact NH2-O 3.43Å; R880-T899 VanDerWaalsContact CD-OG1 3.29Å; R880-T899 WeakPolarHBondContact CD-OG1 3.36Å; R880-T899 PolarHBondContact NE-OG1 3.01Å
881	R	84.6	Confident	84.9	Confident	96 Å²	96	50.7 Å²	50.7	36%	0.362	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.1	174.8	-159.1	166.7	177.1	-130.5	-21.3	114.2	L198 L877 L878 Y879 E888	L198-R881 VanDerWaalsContact CD1-CZ 3.46Å; L198-R881 VanDerWaalsContact CD2-NH1 3.25Å; L877-R881 PolarHBondContact O-N 3.37Å; L878-R881 VanDerWaalsContact O-CB 3.28Å; L878-R881 WeakPolarHBondContact O-CB 3.24Å; L878-R881 PolarHBondContact O-N 2.94Å; Y879-R881 PolarHBondContact O-N 2.93Å; R881-E888 IonicContact NE-OE1 3.07Å
882	R	82.1	Confident	84.7	Confident	166 Å²	166	48.5 Å²	48.5	63%	0.626	25%	0.254	S	S	*	.	S	Bend	trans	-63	151.1	176	-72.9	-176.1	178.5	-166.3	1.9	112.1	Y879 R880 H884 I885 G886	Y879-R882 WeakPolarHBondContact O-CB 3.16Å; Y879-R882 WeakPolarHBondContact O-CG 3.41Å; Y879-R882 PolarHBondContact O-N 3.42Å; R880-R882 PolarHBondContact O-N 3.28Å; R882-H884 PolarHBondContact O-N 2.9Å; R882-I885 PolarHBondContact O-N 3.04Å; R882-G886 PolarHBondContact O-N 2.9Å
883	A	71.4	Confident	84.3	Confident	105 Å²	105	52.9 Å²	52.9	87%	0.868	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.3	-176.3	0	0	0	0	0	114.7	I885	A883-I885 VanDerWaalsContact C-N 3.33Å; A883-I885 PolarHBondContact O-N 2.71Å
884	H	73.6	Confident	84.1	Confident	153 Å²	153	55.5 Å²	55.5	71%	0.708	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.8	180	-167.7	-74.4	0	0	0	114.2	R882 H895	R882-H884 PolarHBondContact O-N 2.9Å; H884-H895 AromaticContact CE1-NE2 3.82Å; H884-H895 AromaticContact ND1-NE2 3.76Å
885	I	78.2	Confident	84.1	Confident	12 Å²	12	58 Å²	58	6%	0.062	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-31.3	-178.3	-64.6	168.9	0	0	0	110.4	Y879 R880 R882 A883 G887 H895	Y879-I885 HydrophobicContact CD1-CD1 4.37Å; Y879-I885 HydrophobicContact CE1-CD1 4.11Å; R880-I885 HydrophobicContact CB-CG2 4.11Å; R880-I885 HydrophobicContact CG-CD1 4.13Å; R880-I885 HydrophobicContact CG-CG2 4.29Å; R880-I885 WeakPolarHBondContact O-CB 3.25Å; R882-I885 PolarHBondContact O-N 3.04Å; A883-I885 VanDerWaalsContact C-N 3.33Å; A883-I885 PolarHBondContact O-N 2.71Å; I885-G887 PolarHBondContact O-N 3.33Å; I885-H895 HydrophobicContact CG1-CB 4.43Å; I885-H895 HydrophobicContact CG2-CB 4.46Å
886	G	75.9	Confident	84.1	Confident	19 Å²	19	56.4 Å²	56.4	20%	0.196	29%	0.286	C	S	.	.			trans	92.3	-24.2	167.2	0	0	0	0	0	115	K194 R882	K194-G886 WeakPolarHBondContact CE-O 3.41Å; R882-G886 PolarHBondContact O-N 2.9Å
887	G	82.8	Confident	84	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-170.7	168.8	-179.4	0	0	0	0	0	115	I885	I885-G887 PolarHBondContact O-N 3.33Å
888	E	84.8	Confident	84.1	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.009	33%	0.327	C	S	.	.	S	Bend	trans	-74.8	-30.1	179.4	-69.8	134.5	159.4	0	0	112.1	R193 V195 I819 R880 R881	R193-E888 PolarHBondContact O-N 3.06Å; R193-E888 VanDerWaalsContact O-N 3.16Å; V195-E888 WeakPolarHBondContact CB-OE2 3.43Å; V195-E888 VanDerWaalsContact CG2-OE2 3.29Å; V195-E888 WeakPolarHBondContact CG2-OE2 3.31Å; V195-E888 PolarHBondContact N-OE2 3.47Å; I819-E888 HydrophobicContact CD1-CB 4Å; R880-E888 PolarHBondContact NH1-O 3.48Å; R880-E888 PolarHBondContact NH2-O 2.04Å; R881-E888 IonicContact NE-OE1 3.07Å
889	L	88.4	Confident	84.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150	171.8	-52.8	176.6	0	0	0	110.6	C183 V184 I187 V192 R193 A809 A815 S818 I819	C183-L889 HydrophobicContact CB-CD1 4.22Å; C183-L889 HydrophobicContact CB-CD2 3.91Å; V184-L889 HydrophobicContact CG2-CD2 3.56Å; I187-L889 HydrophobicContact CG1-CB 4.07Å; V192-L889 WeakPolarHBondContact CA-O 3.48Å; R193-L889 HydrophobicContact CB-CB 4.11Å; R193-L889 HydrophobicContact CB-CD1 4.41Å; R193-L889 PolarHBondContact N-O 3.18Å; R193-L889 VanDerWaalsContact N-O 3.1Å; R193-L889 PolarHBondContact O-N 3.06Å; A809-L889 HydrophobicContact CB-CD1 4.15Å; A815-L889 HydrophobicContact CB-CD1 3.69Å; A815-L889 HydrophobicContact CB-CG 4.04Å; S818-L889 WeakPolarHBondContact OG-CD1 3.4Å; I819-L889 HydrophobicContact CD1-CD1 4.4Å; I819-L889 HydrophobicContact CD1-CD2 3.82Å; I819-L889 HydrophobicContact CD1-CG 3.98Å; I819-L889 HydrophobicContact CG1-CD1 4.37Å; I819-L889 HydrophobicContact CG1-CD2 4.18Å; I819-L889 HydrophobicContact CG1-CG 4.44Å
890	G	86.9	Confident	84.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.2	-144.2	-179.5	0	0	0	0	0	114.6	R880	R880-G890 PolarHBondContact NH2-O 3.43Å
891	G	85.6	Confident	84.8	Confident	3 Å²	3	57 Å²	57	3%	0.031	31%	0.313	C	S	.	.			trans	91.8	-169.7	-177.1	0	0	0	0	0	114.3	E191	E191-G891 PolarHBondContact O-N 2.67Å
892	P	86.4	Confident	85.3	Confident	61 Å²	61	56.1 Å²	56.1	40%	0.396	31%	0.314	S	S	.	.	S	Bend	trans	-59	143.4	-173.4	-23.1	32.3	0	0	0	112.3	G894 H895 R896	P892-G894 PolarHBondContact O-N 3.17Å; P892-H895 PolarHBondContact O-N 3.21Å; P892-R896 WeakPolarHBondContact O-CB 3.37Å; P892-R896 PolarHBondContact O-N 3.47Å
893	R	83.9	Confident	85.8	Confident	174 Å²	174	48.2 Å²	48.2	66%	0.657	28%	0.284	S	S	*	.	H	α-helix	trans	-49.1	-41.8	-173	-173.9	177.5	175.2	176.4	-0.8	113.6	L897	R893-L897 WeakPolarHBondContact O-CB 3.33Å; R893-L897 PolarHBondContact O-N 2.94Å
894	G	85.5	Confident	86.8	Confident	55 Å²	55	46.3 Å²	46.3	57%	0.567	26%	0.257	S	S	*	.	H	α-helix	trans	-64.2	-52.4	178.5	0	0	0	0	0	113	P892 R896 L897 A898	P892-G894 PolarHBondContact O-N 3.17Å; G894-R896 VanDerWaalsContact C-N 3.34Å; G894-R896 PolarHBondContact O-N 3.44Å; G894-L897 PolarHBondContact O-N 2.88Å; G894-A898 VanDerWaalsContact O-CB 3.24Å; G894-A898 WeakPolarHBondContact O-CB 3.23Å; G894-A898 PolarHBondContact O-N 3.45Å
895	H	86.7	Confident	87.7	Confident	71 Å²	71	41.9 Å²	41.9	33%	0.329	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-36.9	179.2	-68	-65.3	0	0	0	112.5	H884 I885 P892 T899	H884-H895 AromaticContact CE1-NE2 3.82Å; H884-H895 AromaticContact ND1-NE2 3.76Å; I885-H895 HydrophobicContact CG1-CB 4.43Å; I885-H895 HydrophobicContact CG2-CB 4.46Å; P892-H895 PolarHBondContact O-N 3.21Å; H895-T899 WeakPolarHBondContact O-CB 3.21Å; H895-T899 PolarHBondContact O-N 2.91Å; H895-T899 PolarHBondContact O-OG1 2.8Å
896	R	88.1	Confident	88.5	Confident	36 Å²	36	41.9 Å²	41.9	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-51.5	176.4	-172.1	-178	66.4	-173.5	0.5	111.7	V184 I187 P892 G894 T899 S900	V184-R896 HydrophobicContact CG1-CG 3.92Å; V184-R896 VanDerWaalsContact O-CD 3.22Å; V184-R896 WeakPolarHBondContact O-CD 3.21Å; V184-R896 WeakPolarHBondContact O-CG 3.47Å; I187-R896 PolarHBondContact O-NH1 3.23Å; P892-R896 WeakPolarHBondContact O-CB 3.37Å; P892-R896 PolarHBondContact O-N 3.47Å; G894-R896 VanDerWaalsContact C-N 3.34Å; G894-R896 PolarHBondContact O-N 3.44Å; R896-T899 PolarHBondContact O-N 2.93Å; R896-S900 WeakPolarHBondContact O-CB 3.4Å; R896-S900 PolarHBondContact O-N 2.8Å
897	L	88.9	Confident	89.3	Confident	121 Å²	121	42.5 Å²	42.5	63%	0.634	24%	0.24	S	C	*	.	H	α-helix	trans	-66.6	-43.1	179.9	-173.9	65.6	0	0	0	111.4	R893 G894 T899 S900 A901	R893-L897 WeakPolarHBondContact O-CB 3.33Å; R893-L897 PolarHBondContact O-N 2.94Å; G894-L897 PolarHBondContact O-N 2.88Å; L897-T899 VanDerWaalsContact C-N 3.33Å; L897-T899 PolarHBondContact O-N 3.41Å; L897-S900 PolarHBondContact O-N 2.9Å; L897-A901 VanDerWaalsContact O-CB 3.29Å; L897-A901 WeakPolarHBondContact O-CB 3.4Å; L897-A901 PolarHBondContact O-N 3.4Å
898	A	91	Very high	89.7	Confident	49 Å²	49	46.7 Å²	46.7	41%	0.405	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-44.1	177.4	0	0	0	0	0	111.6	G894 A901 I902	G894-A898 VanDerWaalsContact O-CB 3.24Å; G894-A898 WeakPolarHBondContact O-CB 3.23Å; G894-A898 PolarHBondContact O-N 3.45Å; A898-A901 PolarHBondContact O-N 2.79Å; A898-I902 VanDerWaalsContact O-CG1 3.28Å; A898-I902 WeakPolarHBondContact O-CG1 3.42Å; A898-I902 PolarHBondContact O-N 3.45Å
899	T	91.5	Very high	90.1	Very high	10 Å²	10	49.2 Å²	49.2	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-48.7	177.9	-52.2	0	0	0	0	111.4	V184 V876 R880 H895 R896 L897 A901 I902 F903	V184-T899 HydrophobicContact CG1-CG2 4.45Å; V876-T899 HydrophobicContact CG1-CG2 3.96Å; R880-T899 VanDerWaalsContact CD-OG1 3.29Å; R880-T899 WeakPolarHBondContact CD-OG1 3.36Å; R880-T899 PolarHBondContact NE-OG1 3.01Å; H895-T899 WeakPolarHBondContact O-CB 3.21Å; H895-T899 PolarHBondContact O-N 2.91Å; H895-T899 PolarHBondContact O-OG1 2.8Å; R896-T899 PolarHBondContact O-N 2.93Å; L897-T899 VanDerWaalsContact C-N 3.33Å; L897-T899 PolarHBondContact O-N 3.41Å; T899-A901 VanDerWaalsContact C-N 3.29Å; T899-A901 PolarHBondContact O-N 3.48Å; T899-I902 PolarHBondContact O-N 3.17Å; T899-I902 VanDerWaalsContact O-N 3.16Å; T899-F903 HydrophobicContact CG2-CD2 3.68Å; T899-F903 HydrophobicContact CG2-CE2 3.53Å; T899-F903 WeakPolarHBondContact O-CD2 3.27Å; T899-F903 PolarHBondContact O-N 3.08Å
900	S	91.6	Very high	90.2	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-56.4	-45.6	177.2	-164.8	0	0	0	0	111.1	G181 R896 L897 I902 F903 F904	G181-S900 WeakPolarHBondContact O-CB 3.12Å; G181-S900 PolarHBondContact O-OG 3.28Å; R896-S900 WeakPolarHBondContact O-CB 3.4Å; R896-S900 PolarHBondContact O-N 2.8Å; L897-S900 PolarHBondContact O-N 2.9Å; S900-I902 PolarHBondContact O-N 3.23Å; S900-F903 PolarHBondContact O-N 3.33Å; S900-F904 WeakPolarHBondContact O-CD2 3.11Å; S900-F904 PolarHBondContact O-N 2.99Å; S900-F904 WeakPolarHBondContact OG-CE2 3.26Å
901	A	92.9	Very high	90.3	Very high	56 Å²	56	50.3 Å²	50.3	46%	0.463	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-40.7	176.8	0	0	0	0	0	113.4	L897 A898 T899 S905	L897-A901 VanDerWaalsContact O-CB 3.29Å; L897-A901 WeakPolarHBondContact O-CB 3.4Å; L897-A901 PolarHBondContact O-N 3.4Å; A898-A901 PolarHBondContact O-N 2.79Å; T899-A901 VanDerWaalsContact C-N 3.29Å; T899-A901 PolarHBondContact O-N 3.48Å; A901-S905 WeakPolarHBondContact O-CB 3.14Å; A901-S905 PolarHBondContact O-N 3.36Å
902	I	94.1	Very high	90.5	Very high	76 Å²	76	53.1 Å²	53.1	39%	0.39	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-47.9	174.2	-71.2	164.2	0	0	0	110.4	A898 T899 S900 S905 L906	A898-I902 VanDerWaalsContact O-CG1 3.28Å; A898-I902 WeakPolarHBondContact O-CG1 3.42Å; A898-I902 PolarHBondContact O-N 3.45Å; T899-I902 PolarHBondContact O-N 3.17Å; T899-I902 VanDerWaalsContact O-N 3.16Å; S900-I902 PolarHBondContact O-N 3.23Å; I902-S905 WeakPolarHBondContact O-CB 3.49Å; I902-S905 PolarHBondContact O-N 3.37Å; I902-L906 HydrophobicContact CG2-CD1 4.06Å; I902-L906 HydrophobicContact CG2-CG 4.44Å; I902-L906 WeakPolarHBondContact O-CG 3.45Å; I902-L906 PolarHBondContact O-N 3.48Å
903	F	93.8	Very high	90.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-45.5	-177.5	-85.5	-110.3	0	0	0	112.3	F177 I180 A873 V876 L877 T899 S900 S905 L906 W907	F177-F903 WeakPolarHBondContact O-CB 3.41Å; F177-F903 WeakPolarHBondContact O-CD1 3.26Å; I180-F903 HydrophobicContact CB-CD1 4.21Å; I180-F903 HydrophobicContact CB-CE1 4.07Å; I180-F903 HydrophobicContact CG2-CD1 4.2Å; I180-F903 HydrophobicContact CG2-CE1 3.73Å; I180-F903 HydrophobicContact CG2-CZ 4.29Å; A873-F903 HydrophobicContact CB-CE1 3.8Å; A873-F903 HydrophobicContact CB-CZ 3.95Å; V876-F903 HydrophobicContact CB-CE2 4.19Å; V876-F903 HydrophobicContact CG1-CE2 3.81Å; L877-F903 HydrophobicContact CD2-CZ 4.04Å; L877-F903 HydrophobicContact CG-CZ 4.01Å; T899-F903 HydrophobicContact CG2-CD2 3.68Å; T899-F903 HydrophobicContact CG2-CE2 3.53Å; T899-F903 WeakPolarHBondContact O-CD2 3.27Å; T899-F903 PolarHBondContact O-N 3.08Å; S900-F903 PolarHBondContact O-N 3.33Å; F903-S905 VanDerWaalsContact C-N 3.31Å; F903-S905 PolarHBondContact O-N 3.09Å; F903-L906 PolarHBondContact O-N 3.4Å; F903-W907 PolarHBondContact O-N 3.3Å
904	F	93.1	Very high	90.8	Very high	66 Å²	66	45.8 Å²	45.8	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-37.1	173.9	-80.8	-76.1	0	0	0	112.4	V178 S900 W907 F908	V178-F904 HydrophobicContact CB-CE1 4.46Å; V178-F904 HydrophobicContact CG1-CE1 3.75Å; V178-F904 HydrophobicContact CG1-CZ 4.23Å; V178-F904 HydrophobicContact CG2-CD1 4.47Å; V178-F904 HydrophobicContact CG2-CE1 4.41Å; S900-F904 WeakPolarHBondContact O-CD2 3.11Å; S900-F904 PolarHBondContact O-N 2.99Å; S900-F904 WeakPolarHBondContact OG-CE2 3.26Å; F904-W907 PolarHBondContact O-N 3.03Å; F904-F908 PolarHBondContact O-N 2.76Å
905	S	92.6	Very high	90.8	Very high	60 Å²	60	43.7 Å²	43.7	42%	0.42	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-43.1	175.3	-177.2	0	0	0	0	112	A901 I902 F903 W907 F908 L909	A901-S905 WeakPolarHBondContact O-CB 3.14Å; A901-S905 PolarHBondContact O-N 3.36Å; I902-S905 WeakPolarHBondContact O-CB 3.49Å; I902-S905 PolarHBondContact O-N 3.37Å; F903-S905 VanDerWaalsContact C-N 3.31Å; F903-S905 PolarHBondContact O-N 3.09Å; S905-W907 VanDerWaalsContact C-N 3.3Å; S905-W907 PolarHBondContact O-N 2.97Å; S905-F908 PolarHBondContact O-N 2.95Å; S905-L909 WeakPolarHBondContact O-CB 3.32Å; S905-L909 WeakPolarHBondContact O-CG 3.06Å; S905-L909 PolarHBondContact O-N 3.48Å
906	L	93.4	Very high	90.8	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-39.7	176.4	-71.6	171.7	0	0	0	112.1	F177 F869 L872 I902 F903 Y910	F177-L906 HydrophobicContact CG-CB 4.46Å; F869-L906 HydrophobicContact CB-CD2 4.42Å; F869-L906 HydrophobicContact CD1-CD2 3.9Å; F869-L906 HydrophobicContact CD2-CB 4.41Å; F869-L906 HydrophobicContact CD2-CD2 4.22Å; F869-L906 HydrophobicContact CE1-CD2 4.18Å; F869-L906 HydrophobicContact CE2-CD2 4.47Å; F869-L906 HydrophobicContact CG-CD2 3.93Å; F869-L906 HydrophobicContact CZ-CD2 4.45Å; L872-L906 HydrophobicContact CD2-CD1 4.01Å; L872-L906 HydrophobicContact CD2-CD2 3.73Å; L872-L906 HydrophobicContact CD2-CG 4.47Å; L872-L906 HydrophobicContact CG-CD1 4.48Å; I902-L906 HydrophobicContact CG2-CD1 4.06Å; I902-L906 HydrophobicContact CG2-CG 4.44Å; I902-L906 WeakPolarHBondContact O-CG 3.45Å; I902-L906 PolarHBondContact O-N 3.48Å; F903-L906 PolarHBondContact O-N 3.4Å; L906-Y910 VanDerWaalsContact O-CB 3.28Å; L906-Y910 WeakPolarHBondContact O-CB 3.24Å; L906-Y910 PolarHBondContact O-N 3.4Å
907	W	93.3	Very high	90.6	Very high	33 Å²	33	41.4 Å²	41.4	13%	0.125	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-43.5	175.1	179.8	73.7	0	0	0	112.7	F174 F177 V178 L795 F903 F904 S905 Y910 I911	F174-W907 AromaticContact CD2-CE2 3.87Å; F174-W907 AromaticContact CD2-CZ2 3.93Å; F174-W907 HydrophobicContact CD2-CZ2 3.93Å; F174-W907 AromaticContact CD2-NE1 3.7Å; F174-W907 HydrophobicContact CE2-CZ2 4.26Å; F177-W907 HydrophobicContact CB-CB 3.89Å; F177-W907 HydrophobicContact CD2-CB 4.28Å; V178-W907 HydrophobicContact CG2-CB 3.93Å; V178-W907 HydrophobicContact CG2-CD2 3.58Å; V178-W907 HydrophobicContact CG2-CE3 4.11Å; V178-W907 HydrophobicContact CG2-CG 3.48Å; V178-W907 VanDerWaalsContact CG2-CG 3.48Å; L795-W907 HydrophobicContact CD1-CH2 4.34Å; L795-W907 HydrophobicContact CD1-CZ2 4.26Å; F903-W907 PolarHBondContact O-N 3.3Å; F904-W907 PolarHBondContact O-N 3.03Å; S905-W907 VanDerWaalsContact C-N 3.3Å; S905-W907 PolarHBondContact O-N 2.97Å; W907-Y910 WeakPolarHBondContact O-CB 3.44Å; W907-Y910 PolarHBondContact O-N 3.45Å; W907-I911 HydrophobicContact CD2-CD1 3.91Å; W907-I911 HydrophobicContact CE3-CD1 4.24Å; W907-I911 HydrophobicContact CH2-CD1 3.64Å; W907-I911 HydrophobicContact CZ2-CD1 3.24Å; W907-I911 HydrophobicContact CZ3-CD1 4.11Å; W907-I911 PolarHBondContact O-N 2.8Å
908	F	91.9	Very high	90.2	Very high	88 Å²	88	35.9 Å²	35.9	39%	0.386	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-43.6	176.7	-176.3	-95.7	0	0	0	111.9	F904 S905 Y910 I911 L912	F904-F908 PolarHBondContact O-N 2.76Å; S905-F908 PolarHBondContact O-N 2.95Å; F908-Y910 VanDerWaalsContact C-N 3.28Å; F908-Y910 PolarHBondContact O-N 3.48Å; F908-I911 PolarHBondContact O-N 3.27Å; F908-L912 HydrophobicContact CE1-CD2 4.42Å; F908-L912 WeakPolarHBondContact O-CB 3.35Å; F908-L912 PolarHBondContact O-N 3.37Å
909	L	91.8	Very high	89.8	Confident	55 Å²	55	37.4 Å²	37.4	29%	0.288	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-37.8	174.2	-71.7	173.4	0	0	0	111.7	F869 S905 L912 F913	F869-L909 HydrophobicContact CE2-CB 4.03Å; F869-L909 HydrophobicContact CZ-CB 4.17Å; S905-L909 WeakPolarHBondContact O-CB 3.32Å; S905-L909 WeakPolarHBondContact O-CG 3.06Å; S905-L909 PolarHBondContact O-N 3.48Å; L909-L912 PolarHBondContact O-N 3.39Å; L909-F913 HydrophobicContact CB-CD2 4.36Å; L909-F913 HydrophobicContact CB-CE2 4.2Å; L909-F913 HydrophobicContact CD2-CE2 4.08Å; L909-F913 HydrophobicContact CD2-CZ 4.32Å; L909-F913 WeakPolarHBondContact O-CB 3.15Å; L909-F913 WeakPolarHBondContact O-CD2 3.24Å; L909-F913 WeakPolarHBondContact O-CG 3.3Å; L909-F913 PolarHBondContact O-N 3.05Å
910	Y	91.8	Very high	89.2	Confident	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-48.2	176.1	170.9	-97.4	0	0	0	111.9	V169 A173 V790 S862 L865 F866 L906 W907 F908 S914	V169-Y910 WeakPolarHBondContact CG1-OH 3.47Å; A173-Y910 HydrophobicContact CB-CD1 3.7Å; A173-Y910 HydrophobicContact CB-CD2 4.45Å; A173-Y910 HydrophobicContact CB-CE1 3.52Å; A173-Y910 HydrophobicContact CB-CE2 4.31Å; A173-Y910 HydrophobicContact CB-CG 4.18Å; V790-Y910 HydrophobicContact CG1-CD1 4.45Å; V790-Y910 HydrophobicContact CG1-CE1 3.64Å; S862-Y910 WeakPolarHBondContact O-CE2 3.28Å; L865-Y910 HydrophobicContact CB-CD2 4.36Å; L865-Y910 HydrophobicContact CD2-CD2 3.85Å; L865-Y910 HydrophobicContact CG-CD2 4.05Å; F866-Y910 HydrophobicContact CB-CE2 4.01Å; L906-Y910 VanDerWaalsContact O-CB 3.28Å; L906-Y910 WeakPolarHBondContact O-CB 3.24Å; L906-Y910 PolarHBondContact O-N 3.4Å; W907-Y910 WeakPolarHBondContact O-CB 3.44Å; W907-Y910 PolarHBondContact O-N 3.45Å; F908-Y910 VanDerWaalsContact C-N 3.28Å; F908-Y910 PolarHBondContact O-N 3.48Å; Y910-S914 VanDerWaalsContact O-CB 3.25Å; Y910-S914 WeakPolarHBondContact O-CB 3.33Å; Y910-S914 PolarHBondContact O-N 2.83Å; Y910-S914 PolarHBondContact O-OG 3.42Å
911	I	89.3	Confident	88.7	Confident	22 Å²	22	45.3 Å²	45.3	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-45.5	176.6	-70.7	174.8	0	0	0	111	V790 V791 W907 F908 S915	V790-I911 HydrophobicContact CG1-CG1 4.46Å; V791-I911 HydrophobicContact CG2-CD1 4.43Å; V791-I911 HydrophobicContact CG2-CG1 4.47Å; V791-I911 HydrophobicContact CG2-CG2 3.72Å; W907-I911 HydrophobicContact CD2-CD1 3.91Å; W907-I911 HydrophobicContact CE3-CD1 4.24Å; W907-I911 HydrophobicContact CH2-CD1 3.64Å; W907-I911 HydrophobicContact CZ2-CD1 3.24Å; W907-I911 HydrophobicContact CZ3-CD1 4.11Å; W907-I911 PolarHBondContact O-N 2.8Å; F908-I911 PolarHBondContact O-N 3.27Å; I911-S915 VanDerWaalsContact O-CB 3.3Å; I911-S915 WeakPolarHBondContact O-CB 2.95Å; I911-S915 PolarHBondContact O-N 2.96Å; I911-S915 PolarHBondContact O-OG 2.88Å
912	L	88.8	Confident	88.2	Confident	62 Å²	62	45.7 Å²	45.7	33%	0.325	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-54.3	-178.4	179	64.6	0	0	0	111.1	F908 L909 S915 L916	F908-L912 HydrophobicContact CE1-CD2 4.42Å; F908-L912 WeakPolarHBondContact O-CB 3.35Å; F908-L912 PolarHBondContact O-N 3.37Å; L909-L912 PolarHBondContact O-N 3.39Å; L912-S915 PolarHBondContact O-N 3.44Å; L912-L916 HydrophobicContact CD1-CD1 4.08Å; L912-L916 HydrophobicContact CD1-CG 4.34Å; L912-L916 HydrophobicContact CG-CD1 4.02Å; L912-L916 VanDerWaalsContact O-CG 3.31Å; L912-L916 WeakPolarHBondContact O-CG 3.37Å; L912-L916 PolarHBondContact O-N 3.26Å
913	F	89.7	Confident	87.1	Confident	72 Å²	72	50.7 Å²	50.7	32%	0.316	25%	0.251	S	S	.	.	H	α-helix	trans	-67.9	-38.9	-177.9	-67.8	-46.4	0	0	0	112.5	F861 L865 L909 S915 L916 E917 I922	F861-F913 HydrophobicContact CE1-CB 4.13Å; F861-F913 WeakPolarHBondContact CE1-O 3.25Å; F861-F913 HydrophobicContact CZ-CB 4.28Å; L865-F913 HydrophobicContact CD1-CD2 4.25Å; L865-F913 HydrophobicContact CD2-CB 3.64Å; L865-F913 HydrophobicContact CD2-CD2 4.25Å; L865-F913 HydrophobicContact CD2-CG 4.46Å; L909-F913 HydrophobicContact CB-CD2 4.36Å; L909-F913 HydrophobicContact CB-CE2 4.2Å; L909-F913 HydrophobicContact CD2-CE2 4.08Å; L909-F913 HydrophobicContact CD2-CZ 4.32Å; L909-F913 WeakPolarHBondContact O-CB 3.15Å; L909-F913 WeakPolarHBondContact O-CD2 3.24Å; L909-F913 WeakPolarHBondContact O-CG 3.3Å; L909-F913 PolarHBondContact O-N 3.05Å; F913-S915 VanDerWaalsContact C-N 3.28Å; F913-S915 PolarHBondContact O-N 2.77Å; F913-L916 HydrophobicContact CD1-CD1 4.41Å; F913-L916 PolarHBondContact O-N 3.46Å; F913-E917 PolarHBondContact O-N 2.86Å; F913-I922 HydrophobicContact CD1-CD1 4.09Å
914	S	87.1	Confident	85.7	Confident	8 Å²	8	52.2 Å²	52.2	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-35.8	175.6	-57.8	0	0	0	0	111.8	S862 Y910 A918	S862-S914 WeakPolarHBondContact OG-CB 3.24Å; S862-S914 PolarHBondContact OG-OG 3.28Å; S862-S914 VanDerWaalsContact OG-OG 3.07Å; Y910-S914 VanDerWaalsContact O-CB 3.25Å; Y910-S914 WeakPolarHBondContact O-CB 3.33Å; Y910-S914 PolarHBondContact O-N 2.83Å; Y910-S914 PolarHBondContact O-OG 3.42Å; S914-A918 VanDerWaalsContact O-CB 3.32Å; S914-A918 WeakPolarHBondContact O-CB 3.09Å; S914-A918 PolarHBondContact O-N 3.06Å
915	S	85.7	Confident	83.8	Confident	11 Å²	11	58.9 Å²	58.9	8%	0.077	30%	0.296	C	S	.	.	H	α-helix	trans	-71.7	-44	176.4	-55	0	0	0	0	111.5	I911 L912 F913 E917 A918 Y919	I911-S915 VanDerWaalsContact O-CB 3.3Å; I911-S915 WeakPolarHBondContact O-CB 2.95Å; I911-S915 PolarHBondContact O-N 2.96Å; I911-S915 PolarHBondContact O-OG 2.88Å; L912-S915 PolarHBondContact O-N 3.44Å; F913-S915 VanDerWaalsContact C-N 3.28Å; F913-S915 PolarHBondContact O-N 2.77Å; S915-E917 VanDerWaalsContact C-N 3.32Å; S915-E917 PolarHBondContact O-N 2.88Å; S915-A918 PolarHBondContact O-N 3.43Å; S915-Y919 VanDerWaalsContact O-CD2 3.24Å; S915-Y919 WeakPolarHBondContact O-CD2 2.93Å; S915-Y919 PolarHBondContact O-N 2.98Å
916	L	86.1	Confident	83.4	Confident	39 Å²	39	58.9 Å²	58.9	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-38.7	178.7	-72.8	172.2	0	0	0	112.5	L912 F913 C920 H921 I922	L912-L916 HydrophobicContact CD1-CD1 4.08Å; L912-L916 HydrophobicContact CD1-CG 4.34Å; L912-L916 HydrophobicContact CG-CD1 4.02Å; L912-L916 VanDerWaalsContact O-CG 3.31Å; L912-L916 WeakPolarHBondContact O-CG 3.37Å; L912-L916 PolarHBondContact O-N 3.26Å; F913-L916 HydrophobicContact CD1-CD1 4.41Å; F913-L916 PolarHBondContact O-N 3.46Å; L916-C920 PolarHBondContact O-N 2.89Å; L916-H921 HydrophobicContact CB-CB 4.39Å; L916-H921 HydrophobicContact CD2-CB 4Å; L916-H921 WeakPolarHBondContact O-CB 3.47Å; L916-H921 PolarHBondContact O-N 3.46Å; L916-I922 HydrophobicContact CB-CD1 3.72Å; L916-I922 HydrophobicContact CB-CG1 4.06Å; L916-I922 HydrophobicContact CD1-CD1 3.85Å; L916-I922 HydrophobicContact CG-CD1 4.44Å; L916-I922 PolarHBondContact O-N 2.76Å
917	E	84.7	Confident	82.9	Confident	21 Å²	21	61.4 Å²	61.4	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-44.5	173	-174.7	-81.3	166.9	0	0	111.2	S858 F861 F913 S915 Y919 C920	S858-E917 WeakPolarHBondContact CA-OE2 3.16Å; S858-E917 WeakPolarHBondContact CB-OE2 3.12Å; F861-E917 HydrophobicContact CB-CG 4.02Å; F861-E917 HydrophobicContact CD1-CB 3.63Å; F861-E917 HydrophobicContact CD1-CG 3.78Å; F861-E917 HydrophobicContact CD2-CG 4.03Å; F861-E917 HydrophobicContact CE1-CB 3.71Å; F861-E917 HydrophobicContact CE1-CG 4.24Å; F861-E917 HydrophobicContact CE2-CG 4.45Å; F861-E917 HydrophobicContact CG-CB 4.06Å; F861-E917 HydrophobicContact CG-CG 3.66Å; F861-E917 HydrophobicContact CZ-CB 4.18Å; F913-E917 PolarHBondContact O-N 2.86Å; S915-E917 VanDerWaalsContact C-N 3.32Å; S915-E917 PolarHBondContact O-N 2.88Å; E917-Y919 PolarHBondContact O-N 2.83Å; E917-Y919 VanDerWaalsContact O-N 3.12Å; E917-C920 WeakPolarHBondContact O-CA 3.41Å; E917-C920 PolarHBondContact O-N 3.38Å
918	A	80.5	Confident	82.3	Confident	5 Å²	5	62.9 Å²	62.9	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-31.9	179.3	0	0	0	0	0	112.2	K784 V787 S914 S915	K784-A918 HydrophobicContact CD-CB 4.42Å; K784-A918 WeakPolarHBondContact CD-O 3.03Å; K784-A918 WeakPolarHBondContact CE-O 3.48Å; K784-A918 PolarHBondContact NZ-O 2.86Å; V787-A918 HydrophobicContact CG2-CB 3.61Å; S914-A918 VanDerWaalsContact O-CB 3.32Å; S914-A918 WeakPolarHBondContact O-CB 3.09Å; S914-A918 PolarHBondContact O-N 3.06Å; S915-A918 PolarHBondContact O-N 3.43Å
919	Y	83.2	Confident	81.7	Confident	80 Å²	80	61.5 Å²	61.5	31%	0.314	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	9.8	174.9	-72.9	-74.7	0	0	0	114.7	G782 L783 V787 S915 E917 H921	G782-Y919 PolarHBondContact O-OH 3.11Å; L783-Y919 WeakPolarHBondContact CA-OH 3.22Å; L783-Y919 WeakPolarHBondContact CD2-OH 3.3Å; V787-Y919 HydrophobicContact CG2-CE2 4.18Å; S915-Y919 VanDerWaalsContact O-CD2 3.24Å; S915-Y919 WeakPolarHBondContact O-CD2 2.93Å; S915-Y919 PolarHBondContact O-N 2.98Å; E917-Y919 PolarHBondContact O-N 2.83Å; E917-Y919 VanDerWaalsContact O-N 3.12Å; Y919-H921 PolarHBondContact O-N 3.06Å
920	C	79.1	Confident	81.1	Confident	56 Å²	56	61.9 Å²	61.9	38%	0.378	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	25.8	-178.9	-52.4	0	0	0	0	114.6	C46 L916 E917 I922	C46-C920 HydrophobicContact CB-CB 3.83Å; C46-C920 WeakPolarHBondContact CB-SG 3.45Å; C46-C920 WeakPolarHBondContact SG-CB 3.44Å; C46-C920 CovalentContact SG-SG 2.04Å; C46-C920 PolarHBondContact SG-SG 3Å; L916-C920 PolarHBondContact O-N 2.89Å; E917-C920 WeakPolarHBondContact O-CA 3.41Å; E917-C920 PolarHBondContact O-N 3.38Å; C920-I922 VanDerWaalsContact C-N 3.32Å
921	H	81.1	Confident	80.4	Confident	129 Å²	129	65.9 Å²	65.9	60%	0.597	33%	0.329	S	S	*	.	S	Bend	trans	-76.3	-26.9	172.3	-70.1	-56.2	0	0	0	112.1	L916 Y919	L916-H921 HydrophobicContact CB-CB 4.39Å; L916-H921 HydrophobicContact CD2-CB 4Å; L916-H921 WeakPolarHBondContact O-CB 3.47Å; L916-H921 PolarHBondContact O-N 3.46Å; Y919-H921 PolarHBondContact O-N 3.06Å
922	I	81.8	Confident	79.7	Confident	65 Å²	65	69.1 Å²	69.1	33%	0.333	34%	0.344	S	S	.	.	S	Bend	trans	-117.7	138.8	171.7	-59.8	173.8	0	0	0	106.7	F913 L916 C920 G924	F913-I922 HydrophobicContact CD1-CD1 4.09Å; L916-I922 HydrophobicContact CB-CD1 3.72Å; L916-I922 HydrophobicContact CB-CG1 4.06Å; L916-I922 HydrophobicContact CD1-CD1 3.85Å; L916-I922 HydrophobicContact CG-CD1 4.44Å; L916-I922 PolarHBondContact O-N 2.76Å; C920-I922 VanDerWaalsContact C-N 3.32Å; I922-G924 PolarHBondContact O-N 2.97Å
923	E	70.3	Confident	79	Confident	181 Å²	181	69.6 Å²	69.6	85%	0.846	35%	0.346	S	S	*	.			trans	-68.5	115.4	169.6	-73	-175.8	163.8	0	0	108.9
924	G	64.6	Low	78.2	Confident	32 Å²	32	69.4 Å²	69.4	33%	0.33	35%	0.348	S	S	.	.			trans	-69.8	-179.2	165.2	0	0	0	0	0	111.8	I922	I922-G924 PolarHBondContact O-N 2.97Å
925	F	53.8	Low	77.4	Confident	206 Å²	206	75 Å²	75	90%	0.904	38%	0.375	S	S	*	.			trans	-74.3	0	178.7	-75.2	-75	0	0	0	113.4	F861 T864	F861-F925 HydrophobicContact CD2-CD2 4.39Å; T864-F925 HydrophobicContact CG2-CE2 4.41Å

Retrieved 925 of 925 residues in 880.5 ms (Link to these results)

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