A0A3Q0KPQ8_SCHMA Loading...

Autophagy-related protein 9

Phospholipid scramblase involved in autophagy. Cycles between the preautophagosomal structure/phagophore assembly site (PAS) and the cytoplasmic vesicle pool and supplies membrane for the growing autophagosome. Lipid scramblase activity plays a key role in preautophagosomal structure/phagophore assembly by distributing the phospholipids that arrive through ATG2 from the cytoplasmic to the luminal leaflet of the bilayer, thereby driving autophagosomal membrane expansion.

AlphaFold DB , UniProt , Accession A0A3Q0KPQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,094 aa.

						>A0A3Q0KPQ8_SCHMA|A0A3Q0KPQ8
MFPVGQGKYECLISEYDHSQPDPNLRGTQNLQNKKGVWDHIQNLDQFFSDIYKYHQSGGFTVILLTQILWLVKFIFVIFITIELSVCTRWSYLTNSSLFVQNWTDVFQPPNQCWASLPFFASLLVVGSVITVIVQIIYVSIRLSRFWEIRRFCTYILNMPSSDVGLADLTWSEVQQRLLQSQCDFQFCSYKVNLDELDIYNRILRHKNYLIAMINQDIIPVRFRIPSSLNPQMVYLPDGYLLNLKLILFWTPWSPFHNYWQLRADYKWVTKRHELAVELATRIRILGLINLLMAPVIFIAQLVTFICAHAERFRYQPSTFFGRRWSNYARLYLRHFNELQHEFETRLKQAYIPASRYLDSFVSRPLTVLAESGAFIFGGASVAFFIAGLVSEQMIHLPGYLAILVGGGLLARLCLSLIPDENVVYCPRNLLVSTLMRIHYMPDHWKEQAGTHQVRSEFSQLFQYRMVGLLEELFSPVITPLILIFILPNHTLEVVDFLRNYTVEVPGVGDVCSFAQLDIRRHGDPMWQPNTESSGDDQSETDNDDHTNAIHSCSRETIRSSKRAEEITLAYNSNEQNENTVQTNHGDSIQHSAAGGKIELSLMHFHLTNPSWRLPPDGLAYLKSIRNQALLDLQQQQHLEQFQDSGKNNTQTEKITSQPTSGMFSTLYGTQESAMTSIYRSTHPHLPNAPCIESSGVLKNVSHLPGSGLRSENTYGVIGAMAESVRSSGSQSMYRSGSNLREPQVLEPNVRRVSHSDSGTNTLPLCTNYNIAKISPETNVVPQKPNSEMIRSQFGPAVFNYSMLDGPTPITMSLMAASALHSADNMGLPFYQPYNSQIEDGLSQHTGFNNSLVGSVGGRRCTVTDVLTADMSVSALYIHELFHRRRQQRQNHDSSRGYSSQRGMTGSTPGANPGNNETFPSTQSSNPLGVGVYSTSGYLPSYQLPHVSFAPTTFTNNSATIPESRNTIERGSLYPTSPSCEPGIIRTPSDGRRIPSAHFTDVTEEDDENVGTPRSCRDTNVSAYITGSESHIIRYPSGQITTGGGIITLSGSPSVRPQHGLSYQNIQQTSDPSLGSVPNIDSDPIWPDLPPTNC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.1	Very low	29.7	Very low	247 Å²	247	149.9 Å²	149.9	100%	1.217	82%	0.815	S	S	*	*				0	133.8	0	-151.1	124.3	167	0	0	106.9
2	F	24.1	Very low	29.7	Very low	186 Å²	186	151.8 Å²	151.8	82%	0.816	82%	0.822	S	S	*	*			trans	-82.6	166.7	-175.7	-83.8	-82.2	0	0	0	111.5
3	P	36.6	Very low	29.6	Very low	125 Å²	125	151.2 Å²	151.2	81%	0.812	82%	0.816	S	S	*	*			cis	-121.7	164.4	16.9	38.1	-23	0	0	0	117.5
4	V	30.1	Very low	29.4	Very low	108 Å²	108	147 Å²	147	66%	0.655	80%	0.804	S	S	*	*			trans	-105.2	132.2	172	173.8	0	0	0	0	108.5	Q6	V4-Q6 HydrophobicContact CG1-CG 4.15Å
5	G	31.4	Very low	29.6	Very low	79 Å²	79	150.5 Å²	150.5	81%	0.814	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-93.2	118.9	164.1	0	0	0	0	0	110.2
6	Q	32.3	Very low	29.4	Very low	182 Å²	182	153.4 Å²	153.4	85%	0.85	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-94.4	121	176	-71.2	-176.8	-34.7	0	0	110.6	V4	V4-Q6 HydrophobicContact CG1-CG 4.15Å
7	G	29	Very low	29.6	Very low	73 Å²	73	152.9 Å²	152.9	75%	0.753	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-81.7	130.7	164.6	0	0	0	0	0	110.6
8	K	30.2	Very low	29.5	Very low	161 Å²	161	153.8 Å²	153.8	70%	0.7	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.6	145.6	171.4	-76.5	-177.9	166.5	-166.7	0	111	E10	K8-E10 HydrophobicContact CD-CG 4.33Å; K8-E10 WeakPolarHBondContact CD-OE1 3.36Å; K8-E10 WeakPolarHBondContact CE-OE1 3.31Å; K8-E10 IonicContact NZ-OE1 3.38Å; K8-E10 PolarHBondContact NZ-OE1 3.32Å; K8-E10 IonicContact NZ-OE2 3.24Å
9	Y	29.7	Very low	29.6	Very low	231 Å²	231	150.4 Å²	150.4	91%	0.906	80%	0.796	S	S	*	*			trans	-114.4	117.9	150.1	-69.2	-88.2	0	0	0	107.2
10	E	30.4	Very low	29.7	Very low	142 Å²	142	152.9 Å²	152.9	66%	0.664	80%	0.803	S	S	*	*			trans	-108	126.1	174.1	-82.1	174	166.7	0	0	109.9	K8	K8-E10 HydrophobicContact CD-CG 4.33Å; K8-E10 WeakPolarHBondContact CD-OE1 3.36Å; K8-E10 WeakPolarHBondContact CE-OE1 3.31Å; K8-E10 IonicContact NZ-OE1 3.38Å; K8-E10 PolarHBondContact NZ-OE1 3.32Å; K8-E10 IonicContact NZ-OE2 3.24Å
11	C	25.5	Very low	29.9	Very low	115 Å²	115	150.9 Å²	150.9	78%	0.777	80%	0.8	S	S	*	*			trans	-100.2	108.6	178.8	-174.2	0	0	0	0	107.9	I13	C11-I13 PolarHBondContact O-N 3.12Å
12	L	29.9	Very low	30.3	Very low	172 Å²	172	145 Å²	145	90%	0.901	77%	0.773	S	S	*	*			trans	-80.7	112.9	-177.7	-72.6	173.6	0	0	0	111
13	I	28.6	Very low	31.1	Very low	145 Å²	145	141.2 Å²	141.2	74%	0.744	77%	0.767	S	S	*	*			trans	-120	127.4	167.7	-67	175.5	0	0	0	107.3	C11	C11-I13 PolarHBondContact O-N 3.12Å
14	S	27.6	Very low	31.1	Very low	92 Å²	92	142.1 Å²	142.1	64%	0.643	77%	0.765	S	S	*	*			trans	55.4	104.2	163.6	178.1	0	0	0	0	117.5
15	E	31.1	Very low	31.5	Very low	199 Å²	199	141.7 Å²	141.7	93%	0.93	76%	0.759	S	S	*	*			trans	-115.3	137	138.1	-164.3	150	-133	0	0	108.3
16	Y	27.7	Very low	31.7	Very low	197 Å²	197	147.3 Å²	147.3	77%	0.773	76%	0.755	S	S	*	*			trans	-92.4	123.4	-176.1	-111.6	-104.2	0	0	0	108.8
17	D	31.9	Very low	31.8	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	74%	0.74	S	S	*	*			trans	-123.7	143.1	162	-163	0.2	0	0	0	109.9
18	H	28.5	Very low	32.2	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.787	73%	0.728	S	S	*	*			trans	-115.3	38.7	-156.2	-141.8	-53.7	0	0	0	113.5
19	S	30.8	Very low	32.6	Very low	88 Å²	88	139.5 Å²	139.5	62%	0.615	72%	0.721	S	S	*	*			trans	-105.7	135	174.9	56.9	0	0	0	0	112.3	P21	S19-P21 WeakPolarHBondContact O-CD 3.28Å
20	Q	32.1	Very low	33.3	Very low	200 Å²	200	132.9 Å²	132.9	94%	0.935	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-74.4	122.5	174.1	-70.6	-175.9	-36.3	0	0	110.9
21	P	33.2	Very low	33.8	Very low	112 Å²	112	131.2 Å²	131.2	73%	0.727	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-89.8	141.8	174.5	34.5	-32	0	0	0	111.6	S19	S19-P21 WeakPolarHBondContact O-CD 3.28Å
22	D	34.9	Very low	34.5	Very low	123 Å²	123	132.3 Å²	132.3	66%	0.658	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-58.4	141	177.4	-80.4	-61.3	0	0	0	113	N24 L25	D22-N24 PolarHBondContact O-N 2.91Å; D22-L25 PolarHBondContact O-N 2.94Å
23	P	41.7	Very low	35.2	Very low	106 Å²	106	130.8 Å²	130.8	69%	0.688	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-60.8	-22.1	-178.5	24.8	-34.3	0	0	0	113.4	L25	P23-L25 PolarHBondContact O-N 3.33Å
24	N	37.2	Very low	36.2	Very low	144 Å²	144	128.4 Å²	128.4	77%	0.77	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-73.5	-21.1	-178.1	-66.2	-22.3	0	0	0	113.9	D22 R26	D22-N24 PolarHBondContact O-N 2.91Å; N24-R26 VanDerWaalsContact C-N 3.28Å; N24-R26 PolarHBondContact O-N 3.11Å
25	L	38.3	Very low	37.2	Very low	100 Å²	100	127.7 Å²	127.7	52%	0.524	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-77.8	-11	178.9	-115	71.2	0	0	0	113.9	D22 P23 G27 T28	D22-L25 PolarHBondContact O-N 2.94Å; P23-L25 PolarHBondContact O-N 3.33Å; L25-G27 PolarHBondContact O-N 3.47Å; L25-T28 PolarHBondContact O-OG1 2.87Å
26	R	34.9	Very low	38.2	Very low	196 Å²	196	121.2 Å²	121.2	74%	0.74	64%	0.639	S	S	*	*	H	α-helix	trans	-72.1	-17	-174	-143	175.8	-167.1	-175.3	4.4	113.8	N24 N30	N24-R26 VanDerWaalsContact C-N 3.28Å; N24-R26 PolarHBondContact O-N 3.11Å; R26-N30 PolarHBondContact O-ND2 3.06Å
27	G	35.6	Very low	39.9	Very low	52 Å²	52	115.9 Å²	115.9	54%	0.536	63%	0.627	S	S	.	*	H	α-helix	trans	-76.2	-45.5	175.8	0	0	0	0	0	113.4	L25 N30 L31	L25-G27 PolarHBondContact O-N 3.47Å; G27-N30 PolarHBondContact O-N 2.73Å; G27-L31 PolarHBondContact O-N 3.02Å
28	T	37.2	Very low	41.4	Very low	82 Å²	82	110.3 Å²	110.3	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-73.1	-42	-173.8	46.6	0	0	0	0	112.8	L25 N30 L31 Q32	L25-T28 PolarHBondContact O-OG1 2.87Å; T28-N30 VanDerWaalsContact C-N 3.26Å; T28-N30 PolarHBondContact O-N 2.78Å; T28-L31 WeakPolarHBondContact O-CA 3.5Å; T28-L31 WeakPolarHBondContact O-CB 3.44Å; T28-L31 PolarHBondContact O-N 3.12Å; T28-Q32 PolarHBondContact O-N 3.36Å
29	Q	37.9	Very low	42.9	Very low	118 Å²	118	104.6 Å²	104.6	55%	0.551	57%	0.57	S	S	*	*	H	α-helix	trans	-60	-35.9	175	-70.6	-173.2	-14.7	0	0	112.4	L31 Q32 N33	Q29-L31 PolarHBondContact O-N 2.83Å; Q29-Q32 PolarHBondContact O-N 3.47Å; Q29-N33 PolarHBondContact O-N 2.87Å
30	N	44.2	Very low	44.4	Very low	92 Å²	92	105.6 Å²	105.6	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-70.2	-11.9	174.6	-89.4	-69	0	0	0	114	R26 G27 T28 K34	R26-N30 PolarHBondContact O-ND2 3.06Å; G27-N30 PolarHBondContact O-N 2.73Å; T28-N30 VanDerWaalsContact C-N 3.26Å; T28-N30 PolarHBondContact O-N 2.78Å; N30-K34 WeakPolarHBondContact O-CD 3.44Å; N30-K34 VanDerWaalsContact O-CE 3.29Å; N30-K34 WeakPolarHBondContact O-CE 3.45Å; N30-K34 VanDerWaalsContact O-CG 3.24Å; N30-K34 WeakPolarHBondContact O-CG 3.42Å
31	L	40.7	Very low	46.3	Very low	107 Å²	107	97.8 Å²	97.8	56%	0.56	53%	0.529	S	S	*	.	H	α-helix	trans	-95.6	-40.5	172.5	-145.2	75.1	0	0	0	111.2	G27 T28 Q29 K34 K35	G27-L31 PolarHBondContact O-N 3.02Å; T28-L31 WeakPolarHBondContact O-CA 3.5Å; T28-L31 WeakPolarHBondContact O-CB 3.44Å; T28-L31 PolarHBondContact O-N 3.12Å; Q29-L31 PolarHBondContact O-N 2.83Å; L31-K34 WeakPolarHBondContact O-CB 3.26Å; L31-K34 PolarHBondContact O-N 2.91Å; L31-K35 PolarHBondContact O-N 3.09Å; L31-K35 VanDerWaalsContact O-N 3.14Å
32	Q	40.8	Very low	48.1	Very low	139 Å²	139	100 Å²	100	65%	0.65	53%	0.53	S	S	*	.	H	α-helix	trans	-64.2	-44.5	176	-71.7	176.3	-64.8	0	0	112.2	T28 Q29 K34 K35	T28-Q32 PolarHBondContact O-N 3.36Å; Q29-Q32 PolarHBondContact O-N 3.47Å; Q32-K34 PolarHBondContact O-N 3.05Å; Q32-K34 VanDerWaalsContact O-N 3.14Å; Q32-K35 PolarHBondContact O-N 2.84Å; Q32-K35 VanDerWaalsContact O-N 3.16Å
33	N	45.1	Very low	50.3	Low	139 Å²	139	95 Å²	95	74%	0.743	50%	0.503	S	S	*	.	H	α-helix	trans	-66.3	-10.2	172.3	-92.4	-6.1	0	0	0	114	Q29	Q29-N33 PolarHBondContact O-N 2.87Å
34	K	49.1	Very low	52.5	Low	96 Å²	96	90.7 Å²	90.7	42%	0.417	47%	0.474	S	S	.	.	H	α-helix	trans	-91.7	-27.7	171.7	-74.3	176.2	-170.7	174.9	0	113.2	N30 L31 Q32 V37 W38	N30-K34 WeakPolarHBondContact O-CD 3.44Å; N30-K34 VanDerWaalsContact O-CE 3.29Å; N30-K34 WeakPolarHBondContact O-CE 3.45Å; N30-K34 VanDerWaalsContact O-CG 3.24Å; N30-K34 WeakPolarHBondContact O-CG 3.42Å; L31-K34 WeakPolarHBondContact O-CB 3.26Å; L31-K34 PolarHBondContact O-N 2.91Å; Q32-K34 PolarHBondContact O-N 3.05Å; Q32-K34 VanDerWaalsContact O-N 3.14Å; K34-V37 PolarHBondContact O-N 3.39Å; K34-W38 VanDerWaalsContact O-CD1 3.24Å
35	K	48.9	Very low	54.9	Low	77 Å²	77	84 Å²	84	34%	0.335	44%	0.438	S	S	.	.	H	α-helix	trans	-58.6	-55.3	177.6	-73.5	-146.7	170.8	-163	0	110.9	L31 Q32 V37 W38 D39 D184 F185	L31-K35 PolarHBondContact O-N 3.09Å; L31-K35 VanDerWaalsContact O-N 3.14Å; Q32-K35 PolarHBondContact O-N 2.84Å; Q32-K35 VanDerWaalsContact O-N 3.16Å; K35-V37 PolarHBondContact O-N 3.17Å; K35-W38 PolarHBondContact O-N 3.11Å; K35-D39 WeakPolarHBondContact CB-OD2 3.44Å; K35-D39 PolarHBondContact O-N 3.19Å; K35-D39 VanDerWaalsContact O-OD2 3.06Å; K35-D184 WeakPolarHBondContact CE-O 3.29Å; K35-D184 PolarHBondContact NZ-O 2.94Å; K35-F185 HydrophobicContact CB-CE1 4.43Å; K35-F185 HydrophobicContact CG-CD1 4.13Å; K35-F185 HydrophobicContact CG-CE1 3.79Å
36	G	51.8	Low	57.3	Low	62 Å²	62	80 Å²	80	64%	0.639	42%	0.417	S	S	*	.	H	α-helix	trans	-64.9	4.6	179.7	0	0	0	0	0	117.2	D39	G36-D39 PolarHBondContact N-OD2 3.36Å
37	V	62.2	Low	59.9	Low	85 Å²	85	71.3 Å²	71.3	52%	0.515	39%	0.385	S	S	.	.	H	α-helix	trans	-92.9	-29.1	168.3	178.4	0	0	0	0	111.5	K34 K35	K34-V37 PolarHBondContact O-N 3.39Å; K35-V37 PolarHBondContact O-N 3.17Å
38	W	63.9	Low	62.7	Low	28 Å²	28	68.9 Å²	68.9	11%	0.106	36%	0.359	C	S	.	.	H	α-helix	trans	-111.7	-14.8	-175.3	-54	108	0	0	0	113.5	K34 K35 H40 I41 F47 E148 F152 I156	K34-W38 VanDerWaalsContact O-CD1 3.24Å; K35-W38 PolarHBondContact O-N 3.11Å; W38-H40 PolarHBondContact O-N 3.38Å; W38-I41 HydrophobicContact CE3-CD1 4.39Å; W38-I41 WeakPolarHBondContact O-CG1 3.23Å; W38-F47 HydrophobicContact CE3-CE2 4.18Å; W38-F47 HydrophobicContact CE3-CZ 4.36Å; W38-F47 AromaticContact CZ3-CE2 3.91Å; W38-F47 HydrophobicContact CZ3-CE2 3.91Å; W38-F47 HydrophobicContact CZ3-CZ 4.47Å; W38-E148 HydrophobicContact CH2-CB 4.34Å; W38-E148 HydrophobicContact CH2-CG 3.98Å; W38-F152 HydrophobicContact CB-CE2 4.48Å; W38-F152 AromaticContact CD2-CD2 3.66Å; W38-F152 HydrophobicContact CD2-CD2 3.66Å; W38-F152 HydrophobicContact CD2-CE2 4.22Å; W38-F152 AromaticContact CE2-CD2 3.94Å; W38-F152 AromaticContact CE3-CD2 3.74Å; W38-F152 HydrophobicContact CE3-CD2 3.74Å; W38-F152 HydrophobicContact CE3-CE2 4.33Å; W38-F152 HydrophobicContact CE3-CG 4.44Å; W38-F152 HydrophobicContact CG-CD2 4.12Å; W38-F152 HydrophobicContact CG-CE2 4.28Å; W38-F152 HydrophobicContact CH2-CB 3.84Å; W38-F152 HydrophobicContact CH2-CD2 4.34Å; W38-F152 HydrophobicContact CH2-CG 4.49Å; W38-F152 HydrophobicContact CZ2-CB 4.07Å; W38-F152 HydrophobicContact CZ2-CD2 4.27Å; W38-F152 HydrophobicContact CZ3-CB 4.14Å; W38-F152 HydrophobicContact CZ3-CD2 4.09Å; W38-F152 HydrophobicContact CZ3-CG 4.38Å; W38-I156 VanDerWaalsContact CD1-CD1 3.41Å; W38-I156 HydrophobicContact CG-CD1 3.99Å
39	D	59.6	Low	65.3	Low	51 Å²	51	65.9 Å²	65.9	27%	0.273	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	126.4	166.5	-64.2	-43.6	0	0	0	109.6	K35 G36 Q186	K35-D39 WeakPolarHBondContact CB-OD2 3.44Å; K35-D39 PolarHBondContact O-N 3.19Å; K35-D39 VanDerWaalsContact O-OD2 3.06Å; G36-D39 PolarHBondContact N-OD2 3.36Å; D39-Q186 PolarHBondContact OD1-N 3.44Å
40	H	64	Low	67.9	Low	109 Å²	109	60.3 Å²	60.3	51%	0.505	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	54.2	174	-48.9	-12.7	0	0	0	116.4	W38 Q42 Q186 S189	W38-H40 PolarHBondContact O-N 3.38Å; H40-Q42 PolarHBondContact O-N 2.83Å; H40-Q186 PolarHBondContact ND1-O 3.39Å; H40-S189 PolarHBondContact CE1-OG 3.03Å; H40-S189 PolarHBondContact ND1-OG 3.17Å; H40-S189 VanDerWaalsContact ND1-OG 3.13Å
41	I	71.1	Confident	70.2	Confident	36 Å²	36	56 Å²	56	19%	0.185	29%	0.293	C	S	.	.			trans	-62.6	119	173.3	-62.3	166.2	0	0	0	111	W38 N43 L44 F47 F187	W38-I41 HydrophobicContact CE3-CD1 4.39Å; W38-I41 WeakPolarHBondContact O-CG1 3.23Å; I41-N43 VanDerWaalsContact C-N 3.3Å; I41-N43 PolarHBondContact O-N 3.07Å; I41-L44 HydrophobicContact CB-CD2 3.93Å; I41-L44 HydrophobicContact CD1-CD2 4.49Å; I41-L44 HydrophobicContact CG2-CD2 4.3Å; I41-F47 HydrophobicContact CD1-CD1 3.71Å; I41-F47 HydrophobicContact CD1-CD2 3.97Å; I41-F47 HydrophobicContact CD1-CE1 3.49Å; I41-F47 VanDerWaalsContact CD1-CE1 3.49Å; I41-F47 HydrophobicContact CD1-CE2 3.78Å; I41-F47 HydrophobicContact CD1-CG 3.94Å; I41-F47 HydrophobicContact CD1-CZ 3.51Å; I41-F47 HydrophobicContact CG2-CB 4.05Å; I41-F47 HydrophobicContact CG2-CG 4.22Å; I41-F187 HydrophobicContact CD1-CD1 4.33Å
42	Q	70.5	Confident	72.7	Confident	157 Å²	157	52 Å²	52	73%	0.734	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.3	-174.6	-65.5	-178.4	-4.2	0	0	115.2	H40	H40-Q42 PolarHBondContact O-N 2.83Å
43	N	82.4	Confident	75.1	Confident	20 Å²	20	48.4 Å²	48.4	11%	0.107	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	73.8	-178.4	-171.8	-6	0	0	0	110.8	I41 D45 Q46 F47 W260	I41-N43 VanDerWaalsContact C-N 3.3Å; I41-N43 PolarHBondContact O-N 3.07Å; N43-D45 PolarHBondContact O-N 2.83Å; N43-Q46 HydrophobicContact CB-CB 4.3Å; N43-Q46 VanDerWaalsContact CG-CB 3.47Å; N43-Q46 WeakPolarHBondContact ND2-CB 3.45Å; N43-Q46 PolarHBondContact O-N 3.42Å; N43-Q46 PolarHBondContact OD1-N 2.88Å; N43-Q46 VanDerWaalsContact OD1-N 3.1Å; N43-F47 PolarHBondContact O-N 3.21Å; N43-W260 HydrophobicContact CB-CZ3 4.04Å
44	L	86.7	Confident	77.4	Confident	14 Å²	14	42 Å²	42	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-34.4	177.3	-71	170.6	0	0	0	113	I41 F47 F48 F187 C188	I41-L44 HydrophobicContact CB-CD2 3.93Å; I41-L44 HydrophobicContact CD1-CD2 4.49Å; I41-L44 HydrophobicContact CG2-CD2 4.3Å; L44-F47 PolarHBondContact O-N 2.89Å; L44-F48 HydrophobicContact CB-CD2 4.34Å; L44-F48 HydrophobicContact CB-CE2 3.94Å; L44-F48 HydrophobicContact CD2-CE2 4.17Å; L44-F48 HydrophobicContact CD2-CZ 4.02Å; L44-F48 WeakPolarHBondContact O-CD2 3.37Å; L44-F48 WeakPolarHBondContact O-CG 3.47Å; L44-F48 PolarHBondContact O-N 3.01Å; L44-F187 HydrophobicContact CD2-CB 3.95Å; L44-C188 HydrophobicContact CD1-CB 3.87Å
45	D	88.5	Confident	79.4	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-47.4	179.7	-73.1	31.5	0	0	0	112	N43 S49 R202 R205	N43-D45 PolarHBondContact O-N 2.83Å; D45-S49 WeakPolarHBondContact O-CB 3.22Å; D45-S49 PolarHBondContact O-N 3.28Å; D45-S49 VanDerWaalsContact O-N 3.09Å; D45-S49 PolarHBondContact O-OG 2.97Å; D45-R202 VanDerWaalsContact OD1-CG 3.31Å; D45-R202 WeakPolarHBondContact OD1-CG 3.45Å; D45-R202 IonicContact OD1-CZ 2.83Å; D45-R202 IonicContact OD1-NH1 2.7Å; D45-R202 PolarHBondContact OD1-NH1 2.82Å; D45-R205 VanDerWaalsContact CG-NH2 3.31Å; D45-R205 IonicContact OD1-NH2 3.94Å; D45-R205 PolarHBondContact OD1-NH2 3.06Å; D45-R205 VanDerWaalsContact OD1-NH2 3.16Å; D45-R205 IonicContact OD2-CZ 3.92Å; D45-R205 IonicContact OD2-NE 2.64Å; D45-R205 PolarHBondContact OD2-NE 3.24Å; D45-R205 IonicContact OD2-NH2 3.47Å; D45-R205 PolarHBondContact OD2-NH2 3.47Å
46	Q	88.3	Confident	81.4	Confident	16 Å²	16	34.2 Å²	34.2	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-38.9	174.8	-175.9	63.6	45.7	0	0	111.6	N43 S49 D50 K53 R145 D805	N43-Q46 HydrophobicContact CB-CB 4.3Å; N43-Q46 VanDerWaalsContact CG-CB 3.47Å; N43-Q46 WeakPolarHBondContact ND2-CB 3.45Å; N43-Q46 PolarHBondContact O-N 3.42Å; N43-Q46 PolarHBondContact OD1-N 2.88Å; N43-Q46 VanDerWaalsContact OD1-N 3.1Å; Q46-S49 WeakPolarHBondContact O-CB 3.39Å; Q46-S49 PolarHBondContact O-N 3.2Å; Q46-D50 PolarHBondContact NE2-OD1 3.35Å; Q46-D50 PolarHBondContact NE2-OD2 3.46Å; Q46-D50 WeakPolarHBondContact O-CB 3.36Å; Q46-D50 PolarHBondContact O-N 2.92Å; Q46-K53 VanDerWaalsContact NE2-NZ 3.15Å; Q46-R145 VanDerWaalsContact NE2-NH2 3.13Å; Q46-D805 VanDerWaalsContact NE2-CG 3.34Å; Q46-D805 PolarHBondContact NE2-OD2 2.73Å
47	F	90.4	Very high	83.1	Confident	15 Å²	15	32.8 Å²	32.8	7%	0.066	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-53.9	179.6	179.8	-109.6	0	0	0	112.5	W38 I41 N43 L44 S49 D50 I51 I149 F152	W38-F47 HydrophobicContact CE3-CE2 4.18Å; W38-F47 HydrophobicContact CE3-CZ 4.36Å; W38-F47 AromaticContact CZ3-CE2 3.91Å; W38-F47 HydrophobicContact CZ3-CE2 3.91Å; W38-F47 HydrophobicContact CZ3-CZ 4.47Å; I41-F47 HydrophobicContact CD1-CD1 3.71Å; I41-F47 HydrophobicContact CD1-CD2 3.97Å; I41-F47 HydrophobicContact CD1-CE1 3.49Å; I41-F47 VanDerWaalsContact CD1-CE1 3.49Å; I41-F47 HydrophobicContact CD1-CE2 3.78Å; I41-F47 HydrophobicContact CD1-CG 3.94Å; I41-F47 HydrophobicContact CD1-CZ 3.51Å; I41-F47 HydrophobicContact CG2-CB 4.05Å; I41-F47 HydrophobicContact CG2-CG 4.22Å; N43-F47 PolarHBondContact O-N 3.21Å; L44-F47 PolarHBondContact O-N 2.89Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 3.48Å; F47-D50 PolarHBondContact O-N 3.47Å; F47-D50 VanDerWaalsContact O-N 3.13Å; F47-I51 HydrophobicContact CD1-CD1 3.94Å; F47-I51 HydrophobicContact CE1-CD1 3.57Å; F47-I51 HydrophobicContact CE2-CD1 4.29Å; F47-I51 HydrophobicContact CG-CD1 4.46Å; F47-I51 HydrophobicContact CZ-CD1 3.77Å; F47-I51 PolarHBondContact O-N 3.46Å; F47-I149 HydrophobicContact CD2-CD1 3.51Å; F47-I149 HydrophobicContact CE2-CD1 3.64Å; F47-F152 HydrophobicContact CE1-CD1 4.4Å; F47-F152 AromaticContact CE1-CE1 3.92Å; F47-F152 HydrophobicContact CE1-CE1 3.92Å; F47-F152 HydrophobicContact CE1-CZ 4.07Å; F47-F152 HydrophobicContact CE2-CD1 4.29Å; F47-F152 HydrophobicContact CE2-CG 4.32Å; F47-F152 AromaticContact CZ-CD1 3.6Å; F47-F152 HydrophobicContact CZ-CD1 3.6Å; F47-F152 AromaticContact CZ-CD2 3.98Å; F47-F152 HydrophobicContact CZ-CD2 3.98Å; F47-F152 AromaticContact CZ-CE1 3.5Å; F47-F152 HydrophobicContact CZ-CE1 3.5Å; F47-F152 AromaticContact CZ-CE2 3.92Å; F47-F152 HydrophobicContact CZ-CE2 3.92Å; F47-F152 AromaticContact CZ-CG 3.84Å; F47-F152 HydrophobicContact CZ-CG 3.84Å; F47-F152 AromaticContact CZ-CZ 3.69Å; F47-F152 HydrophobicContact CZ-CZ 3.69Å
48	F	92.4	Very high	84.2	Confident	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-35.2	176.5	-59	-46	0	0	0	112.1	L44 D50 I51 Y52 L178 L194 R202 I203	L44-F48 HydrophobicContact CB-CD2 4.34Å; L44-F48 HydrophobicContact CB-CE2 3.94Å; L44-F48 HydrophobicContact CD2-CE2 4.17Å; L44-F48 HydrophobicContact CD2-CZ 4.02Å; L44-F48 WeakPolarHBondContact O-CD2 3.37Å; L44-F48 WeakPolarHBondContact O-CG 3.47Å; L44-F48 PolarHBondContact O-N 3.01Å; F48-D50 VanDerWaalsContact C-N 3.28Å; F48-D50 PolarHBondContact O-N 2.9Å; F48-I51 HydrophobicContact CD1-CD1 4.31Å; F48-I51 PolarHBondContact O-N 3.03Å; F48-Y52 WeakPolarHBondContact O-CB 3.29Å; F48-Y52 PolarHBondContact O-N 3.4Å; F48-L178 HydrophobicContact CD1-CD2 3.75Å; F48-L178 HydrophobicContact CE1-CD1 4.13Å; F48-L178 HydrophobicContact CE1-CD2 3.87Å; F48-L178 HydrophobicContact CE1-CG 4.3Å; F48-L194 HydrophobicContact CE2-CD1 4Å; F48-L194 HydrophobicContact CZ-CD1 3.71Å; F48-R202 HydrophobicContact CD2-CB 4.24Å; F48-R202 VanDerWaalsContact CD2-CD 3.42Å; F48-R202 VanDerWaalsContact CE2-CD 3.49Å; F48-I203 HydrophobicContact CB-CD1 4.34Å; F48-I203 HydrophobicContact CB-CG1 3.97Å
49	S	92.1	Very high	85.4	Confident	18 Å²	18	27.4 Å²	27.4	13%	0.126	14%	0.135	C	C	.	.	H	α-helix	trans	-60.4	-37	172.1	-65.2	0	0	0	0	112.4	D45 Q46 F47 K53	D45-S49 WeakPolarHBondContact O-CB 3.22Å; D45-S49 PolarHBondContact O-N 3.28Å; D45-S49 VanDerWaalsContact O-N 3.09Å; D45-S49 PolarHBondContact O-OG 2.97Å; Q46-S49 WeakPolarHBondContact O-CB 3.39Å; Q46-S49 PolarHBondContact O-N 3.2Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 3.48Å; S49-K53 WeakPolarHBondContact O-CB 3.22Å; S49-K53 WeakPolarHBondContact O-CD 3.29Å; S49-K53 WeakPolarHBondContact O-CG 3.05Å; S49-K53 PolarHBondContact O-N 3.26Å
50	D	92.2	Very high	86.9	Confident	2 Å²	2	26 Å²	26	1%	0.011	13%	0.126	C	C	.	.	H	α-helix	trans	-80.3	-31.7	178.6	-72.2	-25.5	0	0	0	113.1	Q46 F47 F48 K53 Y54 R145 F146 I149	Q46-D50 PolarHBondContact NE2-OD1 3.35Å; Q46-D50 PolarHBondContact NE2-OD2 3.46Å; Q46-D50 WeakPolarHBondContact O-CB 3.36Å; Q46-D50 PolarHBondContact O-N 2.92Å; F47-D50 PolarHBondContact O-N 3.47Å; F47-D50 VanDerWaalsContact O-N 3.13Å; F48-D50 VanDerWaalsContact C-N 3.28Å; F48-D50 PolarHBondContact O-N 2.9Å; D50-K53 PolarHBondContact O-N 2.98Å; D50-K53 VanDerWaalsContact OD1-CD 3.29Å; D50-K53 WeakPolarHBondContact OD1-CD 3.33Å; D50-K53 WeakPolarHBondContact OD1-CE 3.36Å; D50-K53 IonicContact OD1-NZ 3.62Å; D50-K53 PolarHBondContact OD1-NZ 3.47Å; D50-Y54 WeakPolarHBondContact O-CB 3.3Å; D50-Y54 PolarHBondContact O-N 3.32Å; D50-R145 IonicContact OD1-NH2 3.16Å; D50-R145 PolarHBondContact OD1-NH2 3.26Å; D50-R145 IonicContact OD2-CZ 2.91Å; D50-R145 IonicContact OD2-NE 2.72Å; D50-R145 PolarHBondContact OD2-NE 3.43Å; D50-R145 IonicContact OD2-NH2 2.83Å; D50-R145 PolarHBondContact OD2-NH2 3.21Å; D50-F146 HydrophobicContact CB-CE1 3.96Å; D50-F146 HydrophobicContact CB-CZ 3.95Å; D50-F146 WeakPolarHBondContact O-CE1 3.44Å; D50-F146 VanDerWaalsContact OD1-CZ 3.3Å; D50-F146 WeakPolarHBondContact OD1-CZ 3.41Å; D50-I149 HydrophobicContact CB-CD1 4.26Å; D50-I149 HydrophobicContact CB-CG1 4.01Å
51	I	92.9	Very high	88.1	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-46.5	167.2	-67.7	167.1	0	0	0	110.1	F47 F48 Y54 H55 I149 F152 W171 V174 L178	F47-I51 HydrophobicContact CD1-CD1 3.94Å; F47-I51 HydrophobicContact CE1-CD1 3.57Å; F47-I51 HydrophobicContact CE2-CD1 4.29Å; F47-I51 HydrophobicContact CG-CD1 4.46Å; F47-I51 HydrophobicContact CZ-CD1 3.77Å; F47-I51 PolarHBondContact O-N 3.46Å; F48-I51 HydrophobicContact CD1-CD1 4.31Å; F48-I51 PolarHBondContact O-N 3.03Å; I51-Y54 WeakPolarHBondContact O-CB 3.37Å; I51-Y54 PolarHBondContact O-N 3.34Å; I51-H55 PolarHBondContact O-N 2.89Å; I51-H55 VanDerWaalsContact O-N 3.07Å; I51-I149 HydrophobicContact CG1-CD1 4.35Å; I51-I149 HydrophobicContact CG1-CG2 3.96Å; I51-F152 HydrophobicContact CD1-CD1 3.82Å; I51-F152 HydrophobicContact CD1-CE1 3.72Å; I51-F152 HydrophobicContact CG1-CD1 4.46Å; I51-W171 HydrophobicContact CG2-CH2 4.49Å; I51-W171 HydrophobicContact CG2-CZ3 4.38Å; I51-V174 HydrophobicContact CG2-CG1 4.24Å; I51-L178 HydrophobicContact CD1-CD1 4.34Å
52	Y	94	Very high	89	Confident	23 Å²	23	25.4 Å²	25.4	9%	0.09	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-48.7	175.4	178.7	-92.3	0	0	0	112	F48 Y54 H55 Q56 W171 I203 L339 Q340 H341	F48-Y52 WeakPolarHBondContact O-CB 3.29Å; F48-Y52 PolarHBondContact O-N 3.4Å; Y52-Y54 VanDerWaalsContact C-N 3.31Å; Y52-Y54 PolarHBondContact O-N 3.01Å; Y52-H55 PolarHBondContact O-N 3.02Å; Y52-Q56 HydrophobicContact CD1-CG 4.27Å; Y52-Q56 HydrophobicContact CD2-CG 4.14Å; Y52-Q56 HydrophobicContact CE1-CB 4.5Å; Y52-Q56 HydrophobicContact CE1-CG 3.88Å; Y52-Q56 HydrophobicContact CE2-CG 3.74Å; Y52-Q56 HydrophobicContact CG-CG 4.38Å; Y52-Q56 WeakPolarHBondContact O-CB 3.48Å; Y52-Q56 VanDerWaalsContact O-CG 3.23Å; Y52-Q56 WeakPolarHBondContact O-CG 3.35Å; Y52-Q56 PolarHBondContact O-N 3.31Å; Y52-W171 AromaticContact CD2-CD2 3.9Å; Y52-W171 HydrophobicContact CD2-CD2 3.9Å; Y52-W171 AromaticContact CD2-CE2 3.99Å; Y52-W171 AromaticContact CD2-CE3 3.83Å; Y52-W171 HydrophobicContact CD2-CE3 3.83Å; Y52-W171 AromaticContact CD2-CH2 3.95Å; Y52-W171 HydrophobicContact CD2-CH2 3.95Å; Y52-W171 HydrophobicContact CD2-CZ2 4.03Å; Y52-W171 AromaticContact CD2-CZ3 3.85Å; Y52-W171 HydrophobicContact CD2-CZ3 3.85Å; Y52-W171 HydrophobicContact CE2-CD2 4.31Å; Y52-W171 HydrophobicContact CE2-CE3 4.5Å; Y52-W171 HydrophobicContact CG-CH2 4.43Å; Y52-W171 HydrophobicContact CG-CZ3 4.4Å; Y52-I203 HydrophobicContact CD1-CG2 4.34Å; Y52-I203 HydrophobicContact CG-CG2 4.24Å; Y52-L339 HydrophobicContact CD2-CD1 4.28Å; Y52-L339 HydrophobicContact CD2-CD2 4.11Å; Y52-L339 HydrophobicContact CE2-CB 3.97Å; Y52-L339 HydrophobicContact CE2-CD1 3.84Å; Y52-L339 HydrophobicContact CE2-CD2 3.78Å; Y52-L339 HydrophobicContact CE2-CG 4.09Å; Y52-Q340 WeakPolarHBondContact OH-CB 3.44Å; Y52-Q340 PolarHBondContact OH-N 2.94Å; Y52-Q340 VanDerWaalsContact OH-N 3.09Å; Y52-H341 AromaticContact CE2-ND1 3.76Å; Y52-H341 AromaticContact CZ-ND1 3.9Å; Y52-H341 PolarHBondContact OH-N 3.34Å; Y52-H341 PolarHBondContact OH-ND1 3.06Å; Y52-H341 VanDerWaalsContact OH-ND1 3.12Å
53	K	91.9	Very high	90	Very high	64 Å²	64	18.3 Å²	18.3	28%	0.278	10%	0.099	S	C	.	.	H	α-helix	trans	-60	-39.2	175.1	-69.6	162.7	-153.9	164	0	111.7	Q46 S49 D50 S57 F146 D805	Q46-K53 VanDerWaalsContact NE2-NZ 3.15Å; S49-K53 WeakPolarHBondContact O-CB 3.22Å; S49-K53 WeakPolarHBondContact O-CD 3.29Å; S49-K53 WeakPolarHBondContact O-CG 3.05Å; S49-K53 PolarHBondContact O-N 3.26Å; D50-K53 PolarHBondContact O-N 2.98Å; D50-K53 VanDerWaalsContact OD1-CD 3.29Å; D50-K53 WeakPolarHBondContact OD1-CD 3.33Å; D50-K53 WeakPolarHBondContact OD1-CE 3.36Å; D50-K53 IonicContact OD1-NZ 3.62Å; D50-K53 PolarHBondContact OD1-NZ 3.47Å; K53-S57 VanDerWaalsContact O-CB 3.25Å; K53-S57 WeakPolarHBondContact O-CB 3.35Å; K53-S57 PolarHBondContact O-N 2.87Å; K53-S57 VanDerWaalsContact O-N 3.09Å; K53-S57 PolarHBondContact O-OG 3.14Å; K53-F146 HydrophobicContact CB-CE1 4.1Å; K53-F146 HydrophobicContact CB-CZ 4.08Å; K53-F146 HydrophobicContact CD-CZ 4.03Å; K53-D805 IonicContact NZ-OD2 2.7Å; K53-D805 PolarHBondContact NZ-OD2 3.25Å
54	Y	92.2	Very high	90.4	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-61.8	-48.7	-179.3	179.6	-92.8	0	0	0	111.5	D50 I51 Y52 G59 F60 I63 F146 I149 R150 C153 L166	D50-Y54 WeakPolarHBondContact O-CB 3.3Å; D50-Y54 PolarHBondContact O-N 3.32Å; I51-Y54 WeakPolarHBondContact O-CB 3.37Å; I51-Y54 PolarHBondContact O-N 3.34Å; Y52-Y54 VanDerWaalsContact C-N 3.31Å; Y52-Y54 PolarHBondContact O-N 3.01Å; Y54-G59 PolarHBondContact O-N 2.96Å; Y54-F60 HydrophobicContact CE2-CB 3.99Å; Y54-I63 HydrophobicContact CD2-CD1 4.26Å; Y54-F146 HydrophobicContact CD2-CD1 4.35Å; Y54-I149 HydrophobicContact CD2-CG2 4.44Å; Y54-I149 HydrophobicContact CG-CG2 4.16Å; Y54-R150 HydrophobicContact CE2-CB 3.83Å; Y54-R150 HydrophobicContact CE2-CG 4.35Å; Y54-R150 WeakPolarHBondContact OH-CG 3.38Å; Y54-R150 PolarHBondContact OH-NH1 3.15Å; Y54-C153 HydrophobicContact CD1-CB 4.42Å; Y54-C153 HydrophobicContact CE1-CB 4.16Å; Y54-L166 HydrophobicContact CD1-CD2 4.39Å; Y54-L166 HydrophobicContact CE1-CD2 3.89Å
55	H	91.8	Very high	90.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-56.9	176.1	-169.4	-103.3	0	0	0	111.8	I51 Y52 S57 G58 L169 V174	I51-H55 PolarHBondContact O-N 2.89Å; I51-H55 VanDerWaalsContact O-N 3.07Å; Y52-H55 PolarHBondContact O-N 3.02Å; H55-S57 PolarHBondContact O-N 2.99Å; H55-G58 PolarHBondContact O-N 3.47Å; H55-G58 VanDerWaalsContact O-N 3.08Å; H55-L169 PolarHBondContact CE1-O 2.81Å; H55-L169 PolarHBondContact NE2-O 2.97Å; H55-L169 VanDerWaalsContact NE2-O 3.14Å; H55-V174 WeakPolarHBondContact CD2-CG2 3.35Å; H55-V174 WeakPolarHBondContact NE2-CG2 3.29Å
56	Q	90.3	Very high	90.8	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.042	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	1.1	-174	-56.8	-72	-25.8	0	0	114	Y52 H341	Y52-Q56 HydrophobicContact CD1-CG 4.27Å; Y52-Q56 HydrophobicContact CD2-CG 4.14Å; Y52-Q56 HydrophobicContact CE1-CB 4.5Å; Y52-Q56 HydrophobicContact CE1-CG 3.88Å; Y52-Q56 HydrophobicContact CE2-CG 3.74Å; Y52-Q56 HydrophobicContact CG-CG 4.38Å; Y52-Q56 WeakPolarHBondContact O-CB 3.48Å; Y52-Q56 VanDerWaalsContact O-CG 3.23Å; Y52-Q56 WeakPolarHBondContact O-CG 3.35Å; Y52-Q56 PolarHBondContact O-N 3.31Å; Q56-H341 PolarHBondContact NE2-ND1 3.15Å
57	S	87	Confident	90.9	Very high	31 Å²	31	26 Å²	26	22%	0.217	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-4.5	171.8	-56.3	0	0	0	0	113.2	K53 H55 V62	K53-S57 VanDerWaalsContact O-CB 3.25Å; K53-S57 WeakPolarHBondContact O-CB 3.35Å; K53-S57 PolarHBondContact O-N 2.87Å; K53-S57 VanDerWaalsContact O-N 3.09Å; K53-S57 PolarHBondContact O-OG 3.14Å; H55-S57 PolarHBondContact O-N 2.99Å; S57-V62 WeakPolarHBondContact O-CB 3.42Å; S57-V62 WeakPolarHBondContact O-CG1 3.23Å
58	G	86.4	Confident	90.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	32.5	-170.1	0	0	0	0	0	113.3	H55 V62	H55-G58 PolarHBondContact O-N 3.47Å; H55-G58 VanDerWaalsContact O-N 3.08Å; G58-V62 WeakPolarHBondContact O-CG2 3.28Å
59	G	88.8	Confident	90.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	81.6	-172.5	170.8	0	0	0	0	0	116	Y54 T61 I63	Y54-G59 PolarHBondContact O-N 2.96Å; G59-T61 PolarHBondContact O-N 3.05Å; G59-I63 WeakPolarHBondContact O-CG1 3.44Å; G59-I63 PolarHBondContact O-N 3.17Å
60	F	90.3	Very high	90.7	Very high	23 Å²	23	33.1 Å²	33.1	10%	0.101	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-38.4	-169.2	-168.7	-97.4	0	0	0	113.8	Y54 V62 I63 L64 L143 F146 W147	Y54-F60 HydrophobicContact CE2-CB 3.99Å; F60-V62 VanDerWaalsContact C-N 3.35Å; F60-V62 PolarHBondContact O-N 3.4Å; F60-I63 PolarHBondContact O-N 3.13Å; F60-L64 HydrophobicContact CD1-CB 4.42Å; F60-L64 HydrophobicContact CE1-CB 4.19Å; F60-L64 HydrophobicContact CE1-CD2 4.14Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.32Å; F60-L143 HydrophobicContact CE2-CD2 4.16Å; F60-L143 WeakPolarHBondContact CE2-O 3.37Å; F60-L143 HydrophobicContact CZ-CB 4.42Å; F60-L143 HydrophobicContact CZ-CD2 4.01Å; F60-F146 HydrophobicContact CD2-CB 4.16Å; F60-F146 HydrophobicContact CE2-CB 4.08Å; F60-W147 AromaticContact CD1-CE3 3.85Å; F60-W147 HydrophobicContact CD1-CE3 3.85Å; F60-W147 AromaticContact CD1-CZ3 3.87Å; F60-W147 HydrophobicContact CD1-CZ3 3.87Å; F60-W147 HydrophobicContact CD2-CE3 4.15Å; F60-W147 AromaticContact CE1-CE3 3.62Å; F60-W147 HydrophobicContact CE1-CE3 3.62Å; F60-W147 AromaticContact CE1-CZ3 3.82Å; F60-W147 HydrophobicContact CE1-CZ3 3.82Å; F60-W147 HydrophobicContact CE2-CB 4.1Å; F60-W147 AromaticContact CE2-CE3 3.95Å; F60-W147 HydrophobicContact CE2-CE3 3.95Å; F60-W147 HydrophobicContact CG-CE3 4.11Å; F60-W147 HydrophobicContact CG-CZ3 4.42Å; F60-W147 HydrophobicContact CZ-CB 4.47Å; F60-W147 AromaticContact CZ-CE3 3.68Å; F60-W147 HydrophobicContact CZ-CE3 3.68Å; F60-W147 HydrophobicContact CZ-CZ3 4.35Å
61	T	90.2	Very high	90.5	Very high	73 Å²	73	34.9 Å²	34.9	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-61.2	-45.5	-175.3	-41	0	0	0	0	111.1	G59 L64 L65 D163	G59-T61 PolarHBondContact O-N 3.05Å; T61-L64 PolarHBondContact O-N 2.92Å; T61-L65 WeakPolarHBondContact O-CB 3.49Å; T61-L65 PolarHBondContact O-N 3.25Å; T61-D163 WeakPolarHBondContact CB-OD2 3.4Å; T61-D163 PolarHBondContact OG1-OD1 3.13Å; T61-D163 PolarHBondContact OG1-OD2 2.95Å
62	V	90	Very high	90.5	Very high	58 Å²	58	38.9 Å²	38.9	35%	0.352	21%	0.21	S	C	.	.	H	α-helix	trans	-68.7	-40.9	178.2	-175.7	0	0	0	0	111.1	S57 G58 F60 L65 T66	S57-V62 WeakPolarHBondContact O-CB 3.42Å; S57-V62 WeakPolarHBondContact O-CG1 3.23Å; G58-V62 WeakPolarHBondContact O-CG2 3.28Å; F60-V62 VanDerWaalsContact C-N 3.35Å; F60-V62 PolarHBondContact O-N 3.4Å; V62-L65 PolarHBondContact O-N 3.46Å; V62-T66 VanDerWaalsContact O-CB 3.26Å; V62-T66 WeakPolarHBondContact O-CB 3.41Å; V62-T66 PolarHBondContact O-N 3.25Å; V62-T66 PolarHBondContact O-OG1 3.29Å
63	I	90.4	Very high	90.2	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.046	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-49.8	175	-68.6	169.9	0	0	0	110.8	Y54 G59 F60 T66 Q67 L143 F146	Y54-I63 HydrophobicContact CD2-CD1 4.26Å; G59-I63 WeakPolarHBondContact O-CG1 3.44Å; G59-I63 PolarHBondContact O-N 3.17Å; F60-I63 PolarHBondContact O-N 3.13Å; I63-T66 PolarHBondContact O-N 2.86Å; I63-Q67 WeakPolarHBondContact O-CG 3.33Å; I63-Q67 PolarHBondContact O-N 2.74Å; I63-L143 HydrophobicContact CG2-CD2 4.27Å; I63-F146 HydrophobicContact CD1-CD1 3.84Å; I63-F146 HydrophobicContact CD1-CE1 4.06Å; I63-F146 HydrophobicContact CD1-CG 4.44Å
64	L	92.1	Very high	90	Very high	61 Å²	61	39.1 Å²	39.1	32%	0.319	21%	0.211	S	C	.	.	H	α-helix	trans	-58.8	-51.4	178.8	176.2	63.5	0	0	0	111.4	F60 T61 T66 Q67 I68 L143	F60-L64 HydrophobicContact CD1-CB 4.42Å; F60-L64 HydrophobicContact CE1-CB 4.19Å; F60-L64 HydrophobicContact CE1-CD2 4.14Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.32Å; T61-L64 PolarHBondContact O-N 2.92Å; L64-T66 VanDerWaalsContact C-N 3.28Å; L64-T66 PolarHBondContact O-N 3.11Å; L64-Q67 PolarHBondContact O-N 2.88Å; L64-I68 HydrophobicContact CD1-CD1 3.9Å; L64-I68 HydrophobicContact CD1-CG1 4.42Å; L64-I68 HydrophobicContact CG-CD1 3.94Å; L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 3.04Å; L64-L143 HydrophobicContact CB-CD2 4.31Å; L64-L143 HydrophobicContact CD1-CD1 3.62Å; L64-L143 HydrophobicContact CD1-CD2 4Å; L64-L143 HydrophobicContact CD1-CG 4.47Å
65	L	93.1	Very high	89.9	Confident	98 Å²	98	43 Å²	43	51%	0.513	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-39.7	178.7	-177.5	61.7	0	0	0	111.5	T61 V62 I68 L69	T61-L65 WeakPolarHBondContact O-CB 3.49Å; T61-L65 PolarHBondContact O-N 3.25Å; V62-L65 PolarHBondContact O-N 3.46Å; L65-I68 PolarHBondContact O-N 3.42Å; L65-L69 HydrophobicContact CD1-CD1 3.9Å; L65-L69 HydrophobicContact CD1-CG 3.97Å; L65-L69 HydrophobicContact CD2-CD1 4.47Å; L65-L69 HydrophobicContact CG-CD1 3.83Å; L65-L69 HydrophobicContact CG-CG 4.28Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 3.46Å
66	T	90.6	Very high	89.9	Confident	41 Å²	41	47.7 Å²	47.7	25%	0.252	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-43.5	177.2	-60.1	0	0	0	0	111.8	V62 I63 L64 W70 L828	V62-T66 VanDerWaalsContact O-CB 3.26Å; V62-T66 WeakPolarHBondContact O-CB 3.41Å; V62-T66 PolarHBondContact O-N 3.25Å; V62-T66 PolarHBondContact O-OG1 3.29Å; I63-T66 PolarHBondContact O-N 2.86Å; L64-T66 VanDerWaalsContact C-N 3.28Å; L64-T66 PolarHBondContact O-N 3.11Å; T66-W70 VanDerWaalsContact O-CB 3.26Å; T66-W70 WeakPolarHBondContact O-CB 3.3Å; T66-W70 PolarHBondContact O-N 3.21Å; T66-L828 HydrophobicContact CG2-CD1 4.29Å
67	Q	90.4	Very high	89.8	Confident	15 Å²	15	47.7 Å²	47.7	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-40.4	177	-59.4	-48.8	-93.4	0	0	111.9	I63 L64 L71 V139 L143	I63-Q67 WeakPolarHBondContact O-CG 3.33Å; I63-Q67 PolarHBondContact O-N 2.74Å; L64-Q67 PolarHBondContact O-N 2.88Å; Q67-L71 PolarHBondContact O-N 2.99Å; Q67-L71 VanDerWaalsContact O-N 3.16Å; Q67-V139 HydrophobicContact CB-CG1 3.76Å; Q67-V139 HydrophobicContact CB-CG2 4.37Å; Q67-V139 HydrophobicContact CG-CG1 4.11Å; Q67-L143 HydrophobicContact CG-CD2 4.48Å
68	I	90.4	Very high	89.9	Confident	90 Å²	90	47.6 Å²	47.6	46%	0.462	25%	0.249	S	C	.	.	H	α-helix	trans	-64.5	-50.4	178	-66.8	168	0	0	0	110.7	L64 L65 W70 L71 V72	L64-I68 HydrophobicContact CD1-CD1 3.9Å; L64-I68 HydrophobicContact CD1-CG1 4.42Å; L64-I68 HydrophobicContact CG-CD1 3.94Å; L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 3.04Å; L65-I68 PolarHBondContact O-N 3.42Å; I68-W70 VanDerWaalsContact C-N 3.32Å; I68-W70 PolarHBondContact O-N 3.22Å; I68-L71 PolarHBondContact O-N 2.95Å; I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.07Å
69	L	92.6	Very high	90.2	Very high	83 Å²	83	52 Å²	52	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-33.2	-179.6	-68.6	177.7	0	0	0	112.3	L65 V72 K73	L65-L69 HydrophobicContact CD1-CD1 3.9Å; L65-L69 HydrophobicContact CD1-CG 3.97Å; L65-L69 HydrophobicContact CD2-CD1 4.47Å; L65-L69 HydrophobicContact CG-CD1 3.83Å; L65-L69 HydrophobicContact CG-CG 4.28Å; L65-L69 WeakPolarHBondContact O-CB 3.29Å; L65-L69 WeakPolarHBondContact O-CG 3.48Å; L65-L69 PolarHBondContact O-N 3.46Å; L69-V72 PolarHBondContact O-N 3.14Å; L69-K73 VanDerWaalsContact O-CG 3.28Å; L69-K73 WeakPolarHBondContact O-CG 3.38Å; L69-K73 PolarHBondContact O-N 3.24Å
70	W	87.7	Confident	90.2	Very high	10 Å²	10	54 Å²	54	4%	0.038	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-42.9	172.2	-178.3	89.7	0	0	0	112	T66 I68 V72 K73 F74 Q135 A817	T66-W70 VanDerWaalsContact O-CB 3.26Å; T66-W70 WeakPolarHBondContact O-CB 3.3Å; T66-W70 PolarHBondContact O-N 3.21Å; I68-W70 VanDerWaalsContact C-N 3.32Å; I68-W70 PolarHBondContact O-N 3.22Å; W70-V72 PolarHBondContact O-N 3.39Å; W70-K73 PolarHBondContact O-N 3.37Å; W70-F74 HydrophobicContact CH2-CD2 4.41Å; W70-F74 PolarHBondContact O-N 3.4Å; W70-Q135 HydrophobicContact CH2-CG 4.17Å; W70-Q135 HydrophobicContact CZ3-CB 4.34Å; W70-Q135 HydrophobicContact CZ3-CG 4.13Å; W70-A817 HydrophobicContact CH2-CB 4.2Å; W70-A817 HydrophobicContact CZ2-CB 3.78Å
71	L	88.4	Confident	90.2	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-40.2	176.7	-169.3	68.6	0	0	0	111.8	Q67 I68 F74 I75 V132 I136	Q67-L71 PolarHBondContact O-N 2.99Å; Q67-L71 VanDerWaalsContact O-N 3.16Å; I68-L71 PolarHBondContact O-N 2.95Å; L71-F74 PolarHBondContact O-N 2.88Å; L71-I75 HydrophobicContact CG-CD1 4.17Å; L71-I75 WeakPolarHBondContact O-CG1 3.19Å; L71-I75 PolarHBondContact O-N 3.06Å; L71-V132 HydrophobicContact CD1-CG1 4.32Å; L71-V132 HydrophobicContact CD1-CG2 4.32Å; L71-I136 HydrophobicContact CD2-CD1 4.19Å; L71-I136 HydrophobicContact CD2-CG1 3.82Å
72	V	91.5	Very high	90.2	Very high	85 Å²	85	50.6 Å²	50.6	52%	0.515	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-44.3	174.2	173.8	0	0	0	0	111.3	I68 L69 W70 F74 I75 F76	I68-V72 WeakPolarHBondContact O-CG2 3.47Å; I68-V72 PolarHBondContact O-N 3.07Å; L69-V72 PolarHBondContact O-N 3.14Å; W70-V72 PolarHBondContact O-N 3.39Å; V72-F74 PolarHBondContact O-N 3.48Å; V72-I75 PolarHBondContact O-N 2.86Å; V72-F76 WeakPolarHBondContact O-CB 3.41Å; V72-F76 PolarHBondContact O-N 2.9Å
73	K	88.6	Confident	90.2	Very high	74 Å²	74	49 Å²	49	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-45.6	174.1	-70.5	169.4	-168.6	176.7	0	111.8	L69 W70 F76 V77 L820 D824	L69-K73 VanDerWaalsContact O-CG 3.28Å; L69-K73 WeakPolarHBondContact O-CG 3.38Å; L69-K73 PolarHBondContact O-N 3.24Å; W70-K73 PolarHBondContact O-N 3.37Å; K73-F76 PolarHBondContact O-N 2.86Å; K73-V77 WeakPolarHBondContact O-CG2 3.38Å; K73-V77 PolarHBondContact O-N 2.92Å; K73-L820 HydrophobicContact CB-CD2 4.26Å; K73-D824 IonicContact NZ-OD1 2.74Å; K73-D824 PolarHBondContact NZ-OD1 3.09Å; K73-D824 IonicContact NZ-OD2 3.94Å; K73-D824 PolarHBondContact NZ-OD2 3.45Å
74	F	87.4	Confident	90.2	Very high	17 Å²	17	52.2 Å²	52.2	8%	0.075	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-49.6	178.2	-179	-86.5	0	0	0	111.5	W70 L71 V72 F76 V77 I78 T131 V132 L820	W70-F74 HydrophobicContact CH2-CD2 4.41Å; W70-F74 PolarHBondContact O-N 3.4Å; L71-F74 PolarHBondContact O-N 2.88Å; V72-F74 PolarHBondContact O-N 3.48Å; F74-F76 VanDerWaalsContact C-N 3.33Å; F74-F76 PolarHBondContact O-N 3.37Å; F74-V77 PolarHBondContact O-N 3.45Å; F74-I78 HydrophobicContact CD1-CG1 4.28Å; F74-I78 HydrophobicContact CE1-CD1 4.43Å; F74-I78 HydrophobicContact CE1-CG1 3.86Å; F74-I78 HydrophobicContact CZ-CD1 4.27Å; F74-I78 HydrophobicContact CZ-CG1 4.18Å; F74-I78 WeakPolarHBondContact O-CG1 3.26Å; F74-I78 PolarHBondContact O-N 2.9Å; F74-I78 VanDerWaalsContact O-N 3.11Å; F74-T131 HydrophobicContact CE2-CG2 4.5Å; F74-T131 HydrophobicContact CZ-CG2 4.01Å; F74-V132 HydrophobicContact CD1-CG2 3.77Å; F74-V132 HydrophobicContact CE1-CG2 3.72Å; F74-L820 HydrophobicContact CB-CD1 4.18Å; F74-L820 HydrophobicContact CD2-CD1 3.66Å; F74-L820 HydrophobicContact CG-CD1 4.37Å
75	I	90.3	Very high	89.9	Confident	87 Å²	87	52.9 Å²	52.9	45%	0.446	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-42.2	179	-67.2	166.9	0	0	0	110.9	L71 V72 I78 F79 V132	L71-I75 HydrophobicContact CG-CD1 4.17Å; L71-I75 WeakPolarHBondContact O-CG1 3.19Å; L71-I75 PolarHBondContact O-N 3.06Å; V72-I75 PolarHBondContact O-N 2.86Å; I75-I78 PolarHBondContact O-N 3.01Å; I75-F79 WeakPolarHBondContact O-CB 3.28Å; I75-F79 PolarHBondContact O-N 3.31Å; I75-V132 HydrophobicContact CG1-CG2 4.2Å
76	F	91.4	Very high	89.8	Confident	99 Å²	99	50.6 Å²	50.6	43%	0.434	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-43.2	176.2	176.4	-98.2	0	0	0	112.8	V72 K73 F74 I78 F79 I80	V72-F76 WeakPolarHBondContact O-CB 3.41Å; V72-F76 PolarHBondContact O-N 2.9Å; K73-F76 PolarHBondContact O-N 2.86Å; F74-F76 VanDerWaalsContact C-N 3.33Å; F74-F76 PolarHBondContact O-N 3.37Å; F76-I78 PolarHBondContact O-N 3.24Å; F76-F79 PolarHBondContact O-N 3.06Å; F76-I80 HydrophobicContact CE1-CD1 4.38Å; F76-I80 HydrophobicContact CE1-CG2 4.35Å; F76-I80 HydrophobicContact CZ-CD1 3.94Å; F76-I80 WeakPolarHBondContact O-CG2 3.18Å; F76-I80 PolarHBondContact O-N 3.45Å
77	V	88.6	Confident	89.7	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-40.8	177.4	168.3	0	0	0	0	111.4	K73 F74 T81 V303 L820	K73-V77 WeakPolarHBondContact O-CG2 3.38Å; K73-V77 PolarHBondContact O-N 2.92Å; F74-V77 PolarHBondContact O-N 3.45Å; V77-T81 VanDerWaalsContact O-CB 3.29Å; V77-T81 WeakPolarHBondContact O-CB 3.4Å; V77-T81 PolarHBondContact O-N 3.11Å; V77-T81 VanDerWaalsContact O-N 3.13Å; V77-T81 PolarHBondContact O-OG1 3.05Å; V77-V303 HydrophobicContact CG1-CB 4.46Å; V77-V303 HydrophobicContact CG1-CG1 4.12Å; V77-L820 HydrophobicContact CG2-CD2 4.41Å
78	I	89.3	Confident	89.7	Confident	29 Å²	29	48.3 Å²	48.3	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-48.6	173.9	-61.4	-63.2	0	0	0	110.8	F74 I75 F76 T81 I82 L124	F74-I78 HydrophobicContact CD1-CG1 4.28Å; F74-I78 HydrophobicContact CE1-CD1 4.43Å; F74-I78 HydrophobicContact CE1-CG1 3.86Å; F74-I78 HydrophobicContact CZ-CD1 4.27Å; F74-I78 HydrophobicContact CZ-CG1 4.18Å; F74-I78 WeakPolarHBondContact O-CG1 3.26Å; F74-I78 PolarHBondContact O-N 2.9Å; F74-I78 VanDerWaalsContact O-N 3.11Å; I75-I78 PolarHBondContact O-N 3.01Å; F76-I78 PolarHBondContact O-N 3.24Å; I78-T81 PolarHBondContact O-N 2.89Å; I78-I82 WeakPolarHBondContact O-CG1 3.34Å; I78-I82 PolarHBondContact O-N 3.25Å; I78-I82 VanDerWaalsContact O-N 3.1Å; I78-L124 HydrophobicContact CD1-CD2 4.21Å; I78-L124 HydrophobicContact CG2-CD2 4.46Å
79	F	91.3	Very high	89.6	Confident	92 Å²	92	47.9 Å²	47.9	40%	0.404	25%	0.245	S	C	.	.	H	α-helix	trans	-55.7	-55.6	179.8	173.9	-102.1	0	0	0	112.1	I75 F76 T81 I82 E83 W114	I75-F79 WeakPolarHBondContact O-CB 3.28Å; I75-F79 PolarHBondContact O-N 3.31Å; F76-F79 PolarHBondContact O-N 3.06Å; F79-T81 VanDerWaalsContact C-N 3.27Å; F79-T81 PolarHBondContact O-N 2.94Å; F79-I82 PolarHBondContact O-N 3.22Å; F79-I82 VanDerWaalsContact O-N 3.13Å; F79-E83 HydrophobicContact CD1-CG 4.3Å; F79-E83 HydrophobicContact CD2-CG 4.26Å; F79-E83 HydrophobicContact CE1-CG 3.85Å; F79-E83 HydrophobicContact CE2-CG 3.79Å; F79-E83 WeakPolarHBondContact CE2-OE1 3.29Å; F79-E83 HydrophobicContact CG-CG 4.48Å; F79-E83 HydrophobicContact CZ-CG 3.56Å; F79-E83 WeakPolarHBondContact O-CG 3.42Å; F79-E83 PolarHBondContact O-N 3.45Å; F79-W114 HydrophobicContact CD2-CH2 4.4Å; F79-W114 AromaticContact CD2-CZ2 3.61Å; F79-W114 HydrophobicContact CD2-CZ2 3.61Å; F79-W114 HydrophobicContact CE2-CZ2 4.17Å
80	I	90.4	Very high	89.2	Confident	42 Å²	42	50.4 Å²	50.4	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-28.6	-177.4	-160.3	170.1	0	0	0	112.5	F76 L84 V303	F76-I80 HydrophobicContact CE1-CD1 4.38Å; F76-I80 HydrophobicContact CE1-CG2 4.35Å; F76-I80 HydrophobicContact CZ-CD1 3.94Å; F76-I80 WeakPolarHBondContact O-CG2 3.18Å; F76-I80 PolarHBondContact O-N 3.45Å; I80-L84 HydrophobicContact CD1-CD1 4.44Å; I80-L84 HydrophobicContact CG1-CD1 3.9Å; I80-L84 HydrophobicContact CG1-CG 4.18Å; I80-L84 WeakPolarHBondContact O-CB 3.39Å; I80-L84 VanDerWaalsContact O-CG 3.32Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 2.96Å; I80-V303 HydrophobicContact CG2-CG1 3.68Å
81	T	89.7	Confident	89.1	Confident	22 Å²	22	53 Å²	53	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-42.9	173.3	-59.4	0	0	0	0	111.2	V77 I78 F79 S85 I299	V77-T81 VanDerWaalsContact O-CB 3.29Å; V77-T81 WeakPolarHBondContact O-CB 3.4Å; V77-T81 PolarHBondContact O-N 3.11Å; V77-T81 VanDerWaalsContact O-N 3.13Å; V77-T81 PolarHBondContact O-OG1 3.05Å; I78-T81 PolarHBondContact O-N 2.89Å; F79-T81 VanDerWaalsContact C-N 3.27Å; F79-T81 PolarHBondContact O-N 2.94Å; T81-S85 VanDerWaalsContact O-CB 3.26Å; T81-S85 WeakPolarHBondContact O-CB 3.46Å; T81-S85 PolarHBondContact O-N 3.39Å; T81-S85 VanDerWaalsContact O-N 3.08Å; T81-S85 PolarHBondContact O-OG 3.23Å; T81-I299 HydrophobicContact CG2-CG2 3.9Å
82	I	90.5	Very high	88.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-44.4	177.1	-63.3	-60.3	0	0	0	111.4	I78 F79 L84 S85 V86 C87 W114 L117 A121 L124 V125	I78-I82 WeakPolarHBondContact O-CG1 3.34Å; I78-I82 PolarHBondContact O-N 3.25Å; I78-I82 VanDerWaalsContact O-N 3.1Å; F79-I82 PolarHBondContact O-N 3.22Å; F79-I82 VanDerWaalsContact O-N 3.13Å; I82-L84 PolarHBondContact O-N 2.98Å; I82-S85 PolarHBondContact O-N 3.31Å; I82-V86 WeakPolarHBondContact O-CB 3.41Å; I82-V86 PolarHBondContact O-N 3.24Å; I82-C87 PolarHBondContact O-N 3.45Å; I82-W114 HydrophobicContact CB-CH2 3.99Å; I82-W114 HydrophobicContact CB-CZ2 3.75Å; I82-W114 HydrophobicContact CG1-CH2 4.04Å; I82-W114 HydrophobicContact CG1-CZ2 4.32Å; I82-W114 HydrophobicContact CG2-CD2 4.49Å; I82-W114 HydrophobicContact CG2-CH2 4.04Å; I82-W114 HydrophobicContact CG2-CZ2 3.66Å; I82-L117 HydrophobicContact CG2-CD2 3.73Å; I82-A121 HydrophobicContact CD1-CB 4.15Å; I82-L124 HydrophobicContact CD1-CD2 4.44Å; I82-V125 HydrophobicContact CD1-CG2 4.03Å; I82-V125 HydrophobicContact CG1-CG2 3.98Å
83	E	90.6	Very high	88.2	Confident	24 Å²	24	55.7 Å²	55.7	11%	0.112	27%	0.274	C	S	.	.	I	π-helix	trans	-58.5	-46.5	178.4	-71	-62.4	152.6	0	0	112.5	F79 C87 T88 W114	F79-E83 HydrophobicContact CD1-CG 4.3Å; F79-E83 HydrophobicContact CD2-CG 4.26Å; F79-E83 HydrophobicContact CE1-CG 3.85Å; F79-E83 HydrophobicContact CE2-CG 3.79Å; F79-E83 WeakPolarHBondContact CE2-OE1 3.29Å; F79-E83 HydrophobicContact CG-CG 4.48Å; F79-E83 HydrophobicContact CZ-CG 3.56Å; F79-E83 WeakPolarHBondContact O-CG 3.42Å; F79-E83 PolarHBondContact O-N 3.45Å; E83-C87 CarbonylContact O-C 3.45Å; E83-C87 WeakPolarHBondContact O-CB 3.21Å; E83-C87 PolarHBondContact O-N 3.18Å; E83-C87 VanDerWaalsContact O-N 3.15Å; E83-C87 VanDerWaalsContact OE2-CB 3.22Å; E83-C87 WeakPolarHBondContact OE2-CB 3.48Å; E83-T88 PolarHBondContact O-N 2.77Å; E83-T88 PolarHBondContact O-OG1 3.03Å; E83-W114 PolarHBondContact OE1-NE1 2.8Å
84	L	88.7	Confident	87.8	Confident	77 Å²	77	57.4 Å²	57.4	40%	0.403	29%	0.291	S	S	.	.	I	π-helix	trans	-75.2	-32	-179.3	-65.5	175.9	0	0	0	113.2	I80 I82 W90	I80-L84 HydrophobicContact CD1-CD1 4.44Å; I80-L84 HydrophobicContact CG1-CD1 3.9Å; I80-L84 HydrophobicContact CG1-CG 4.18Å; I80-L84 WeakPolarHBondContact O-CB 3.39Å; I80-L84 VanDerWaalsContact O-CG 3.32Å; I80-L84 WeakPolarHBondContact O-CG 3.47Å; I80-L84 PolarHBondContact O-N 2.96Å; I82-L84 PolarHBondContact O-N 2.98Å; L84-W90 WeakPolarHBondContact O-CZ2 3.48Å; L84-W90 PolarHBondContact O-NE1 3.14Å
85	S	87.4	Confident	87.4	Confident	76 Å²	76	60 Å²	60	53%	0.531	31%	0.306	S	S	.	.	I	π-helix	trans	-88.7	-26.8	-178	62.4	0	0	0	0	114.9	T81 I82	T81-S85 VanDerWaalsContact O-CB 3.26Å; T81-S85 WeakPolarHBondContact O-CB 3.46Å; T81-S85 PolarHBondContact O-N 3.39Å; T81-S85 VanDerWaalsContact O-N 3.08Å; T81-S85 PolarHBondContact O-OG 3.23Å; I82-S85 PolarHBondContact O-N 3.31Å
86	V	89.6	Confident	86.6	Confident	49 Å²	49	62 Å²	62	30%	0.297	33%	0.327	S	S	.	.	I	π-helix	trans	-121	-46.6	-174.6	-175.1	0	0	0	0	112.7	I82 L117 P118 A121	I82-V86 WeakPolarHBondContact O-CB 3.41Å; I82-V86 PolarHBondContact O-N 3.24Å; V86-L117 HydrophobicContact CG1-CD2 4.2Å; V86-P118 HydrophobicContact CG1-CG 4.21Å; V86-P118 HydrophobicContact CG2-CG 4.32Å; V86-A121 HydrophobicContact CG2-CB 3.97Å
87	C	90.2	Very high	85.8	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	33%	0.334	C	S	.	.	I	π-helix	trans	-84	-14.5	-170.8	-49.2	0	0	0	0	114.2	I82 E83 Q108 C113	I82-C87 PolarHBondContact O-N 3.45Å; E83-C87 CarbonylContact O-C 3.45Å; E83-C87 WeakPolarHBondContact O-CB 3.21Å; E83-C87 PolarHBondContact O-N 3.18Å; E83-C87 VanDerWaalsContact O-N 3.15Å; E83-C87 VanDerWaalsContact OE2-CB 3.22Å; E83-C87 WeakPolarHBondContact OE2-CB 3.48Å; C87-Q108 PolarHBondContact O-N 3.26Å; C87-C113 WeakPolarHBondContact CA-SG 3.41Å; C87-C113 HydrophobicContact CB-CB 3.68Å; C87-C113 WeakPolarHBondContact CB-SG 3.42Å; C87-C113 WeakPolarHBondContact SG-CB 3.37Å; C87-C113 CovalentContact SG-SG 2.03Å; C87-C113 PolarHBondContact SG-SG 2.77Å
88	T	90	Very high	85.1	Confident	8 Å²	8	64.2 Å²	64.2	5%	0.049	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-90.5	119.8	179.6	-58	0	0	0	0	111.2	E83 W90 L93 V106 F107	E83-T88 PolarHBondContact O-N 2.77Å; E83-T88 PolarHBondContact O-OG1 3.03Å; T88-W90 HydrophobicContact CG2-CD2 4.31Å; T88-W90 HydrophobicContact CG2-CZ2 4.28Å; T88-W90 PolarHBondContact O-N 3.28Å; T88-L93 HydrophobicContact CG2-CD1 4Å; T88-V106 HydrophobicContact CG2-CG1 4.37Å; T88-F107 HydrophobicContact CG2-CD1 4.21Å; T88-F107 HydrophobicContact CG2-CE1 3.85Å; T88-F107 WeakPolarHBondContact OG1-CD1 3.49Å; T88-F107 WeakPolarHBondContact OG1-CE1 3.49Å
89	R	86.9	Confident	84.3	Confident	81 Å²	81	71.6 Å²	71.6	31%	0.306	38%	0.381	S	S	.	.			trans	-82.2	80.6	177.6	-59.6	-167.6	-170.1	120.3	0.1	111.4	S91 Y92 T104 D105 V106	R89-S91 PolarHBondContact O-N 3.47Å; R89-Y92 HydrophobicContact CB-CD2 3.81Å; R89-Y92 HydrophobicContact CB-CE2 4.3Å; R89-Y92 PolarHBondContact O-N 3.02Å; R89-T104 PolarHBondContact NH1-O 3.27Å; R89-D105 PolarHBondContact NH1-O 3.43Å; R89-V106 PolarHBondContact N-O 3.46Å
90	W	85.6	Confident	83.5	Confident	135 Å²	135	70.7 Å²	70.7	51%	0.511	38%	0.383	S	S	.	.	H	α-helix	trans	-51	-25.2	179.6	-67	96.4	0	0	0	115	L84 T88 Y92 L93 T94	L84-W90 WeakPolarHBondContact O-CZ2 3.48Å; L84-W90 PolarHBondContact O-NE1 3.14Å; T88-W90 HydrophobicContact CG2-CD2 4.31Å; T88-W90 HydrophobicContact CG2-CZ2 4.28Å; T88-W90 PolarHBondContact O-N 3.28Å; W90-Y92 VanDerWaalsContact C-N 3.29Å; W90-Y92 PolarHBondContact O-N 3Å; W90-L93 HydrophobicContact CE3-CD1 3.91Å; W90-L93 HydrophobicContact CZ3-CD1 4.11Å; W90-L93 PolarHBondContact O-N 3.15Å; W90-T94 WeakPolarHBondContact O-CG2 3.38Å; W90-T94 PolarHBondContact O-N 3.06Å; W90-T94 PolarHBondContact O-OG1 3Å; W90-T94 VanDerWaalsContact O-OG1 3.06Å
91	S	85.1	Confident	83	Confident	64 Å²	64	76.8 Å²	76.8	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-57	-35.1	174.4	50.9	0	0	0	0	114.5	R89 L93 N95	R89-S91 PolarHBondContact O-N 3.47Å; S91-L93 VanDerWaalsContact C-N 3.33Å; S91-N95 WeakPolarHBondContact O-CB 3.44Å; S91-N95 PolarHBondContact O-N 3.08Å; S91-N95 VanDerWaalsContact O-N 3.12Å
92	Y	83.3	Confident	82.6	Confident	79 Å²	79	80.4 Å²	80.4	31%	0.31	43%	0.429	S	S	.	.	H	α-helix	trans	-77	-21.7	177.1	-72.6	-97.7	0	0	0	112.7	R89 W90 L98 D105	R89-Y92 HydrophobicContact CB-CD2 3.81Å; R89-Y92 HydrophobicContact CB-CE2 4.3Å; R89-Y92 PolarHBondContact O-N 3.02Å; W90-Y92 VanDerWaalsContact C-N 3.29Å; W90-Y92 PolarHBondContact O-N 3Å; Y92-L98 HydrophobicContact CD1-CB 4.07Å; Y92-L98 HydrophobicContact CD1-CD1 3.97Å; Y92-L98 HydrophobicContact CE1-CD1 4.18Å; Y92-L98 HydrophobicContact CG-CD1 4.25Å; Y92-D105 HydrophobicContact CE1-CB 4.43Å
93	L	77.3	Confident	82.2	Confident	102 Å²	102	90.4 Å²	90.4	53%	0.534	47%	0.466	S	S	.	.	H	α-helix	trans	-87.8	-28.1	176.9	-69.9	164.1	0	0	0	112.2	T88 W90 S91 V106	T88-L93 HydrophobicContact CG2-CD1 4Å; W90-L93 HydrophobicContact CE3-CD1 3.91Å; W90-L93 HydrophobicContact CZ3-CD1 4.11Å; W90-L93 PolarHBondContact O-N 3.15Å; S91-L93 VanDerWaalsContact C-N 3.33Å; L93-V106 HydrophobicContact CD1-CG1 3.94Å; L93-V106 HydrophobicContact CD2-CG1 4.36Å; L93-V106 HydrophobicContact CG-CG1 4.02Å
94	T	80.9	Confident	81.8	Confident	111 Å²	111	93 Å²	93	68%	0.681	48%	0.484	S	S	*	.	H	α-helix	trans	-94.3	-26.6	-178.5	55.5	0	0	0	0	114.3	W90	W90-T94 WeakPolarHBondContact O-CG2 3.38Å; W90-T94 PolarHBondContact O-N 3.06Å; W90-T94 PolarHBondContact O-OG1 3Å; W90-T94 VanDerWaalsContact O-OG1 3.06Å
95	N	79.3	Confident	81.6	Confident	72 Å²	72	91.3 Å²	91.3	39%	0.385	48%	0.475	S	S	.	.			trans	-103.4	104.2	-177.6	-174.4	11.5	0	0	0	112.3	S91 S97 L98	S91-N95 WeakPolarHBondContact O-CB 3.44Å; S91-N95 PolarHBondContact O-N 3.08Å; S91-N95 VanDerWaalsContact O-N 3.12Å; N95-S97 PolarHBondContact ND2-OG 2.79Å; N95-S97 PolarHBondContact O-N 3.49Å; N95-S97 PolarHBondContact OD1-N 2.81Å; N95-S97 PolarHBondContact OD1-OG 2.71Å; N95-L98 HydrophobicContact CB-CD1 4.4Å; N95-L98 PolarHBondContact O-N 3.35Å
96	S	72	Confident	81.5	Confident	128 Å²	128	88.1 Å²	88.1	90%	0.895	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-3.7	-179.4	58.9	0	0	0	0	115.3	L98	S96-L98 VanDerWaalsContact C-N 3.32Å
97	S	76.1	Confident	81.3	Confident	82 Å²	82	89.6 Å²	89.6	57%	0.573	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.2	173.6	82.5	0	0	0	0	114	N95	N95-S97 PolarHBondContact ND2-OG 2.79Å; N95-S97 PolarHBondContact O-N 3.49Å; N95-S97 PolarHBondContact OD1-N 2.81Å; N95-S97 PolarHBondContact OD1-OG 2.71Å
98	L	72.9	Confident	81.2	Confident	71 Å²	71	91.8 Å²	91.8	37%	0.372	47%	0.465	S	S	.	.			trans	-107.3	118.6	-177	-66.4	173.3	0	0	0	110.7	Y92 N95 S96	Y92-L98 HydrophobicContact CD1-CB 4.07Å; Y92-L98 HydrophobicContact CD1-CD1 3.97Å; Y92-L98 HydrophobicContact CE1-CD1 4.18Å; Y92-L98 HydrophobicContact CG-CD1 4.25Å; N95-L98 HydrophobicContact CB-CD1 4.4Å; N95-L98 PolarHBondContact O-N 3.35Å; S96-L98 VanDerWaalsContact C-N 3.32Å
99	F	71.8	Confident	81	Confident	185 Å²	185	93.8 Å²	93.8	81%	0.811	48%	0.479	S	S	*	.			trans	-80.9	122.8	172.1	-70.8	-86.4	0	0	0	110.3
100	V	75.6	Confident	80.9	Confident	73 Å²	73	93.2 Å²	93.2	44%	0.442	49%	0.485	S	S	.	.			trans	-83.5	127.7	169.2	177.5	0	0	0	0	108.4	D105 V106	V100-D105 HydrophobicContact CG1-CB 4.45Å; V100-V106 HydrophobicContact CB-CG2 4.49Å; V100-V106 HydrophobicContact CG1-CG2 3.92Å; V100-V106 HydrophobicContact CG2-CG2 3.67Å
101	Q	78.8	Confident	81	Confident	170 Å²	170	93 Å²	93	79%	0.794	49%	0.494	S	S	*	.			trans	-111.9	-33	173.5	-68.1	-170.2	-2.9	0	0	112	D105	Q101-D105 PolarHBondContact N-OD2 3.41Å
102	N	81.8	Confident	81.2	Confident	98 Å²	98	95 Å²	95	52%	0.524	50%	0.497	S	S	.	.	S	Bend	trans	-130	153.2	178.5	-75.9	-65.6	0	0	0	112	T104 D105	N102-T104 WeakPolarHBondContact CB-OG1 3.37Å; N102-T104 PolarHBondContact O-N 2.99Å; N102-T104 VanDerWaalsContact O-N 3.11Å; N102-D105 PolarHBondContact N-OD2 2.9Å; N102-D105 WeakPolarHBondContact O-CB 3.37Å; N102-D105 PolarHBondContact O-N 2.94Å
103	W	81.6	Confident	81.5	Confident	213 Å²	213	91.5 Å²	91.5	81%	0.807	48%	0.483	S	S	*	.	H	α-helix	trans	-55.9	-29.3	174.2	-63.1	100.8	0	0	0	113.1	D105 V106 F107	W103-D105 PolarHBondContact O-N 3.31Å; W103-V106 PolarHBondContact O-N 3.28Å; W103-F107 HydrophobicContact CE3-CD2 4.29Å; W103-F107 HydrophobicContact CE3-CE2 4.15Å; W103-F107 HydrophobicContact CZ3-CE2 4.45Å; W103-F107 PolarHBondContact O-N 3.39Å
104	T	83.8	Confident	82.2	Confident	78 Å²	78	90.7 Å²	90.7	48%	0.479	47%	0.473	S	S	.	.	H	α-helix	trans	-65.5	-17	176.9	50.2	0	0	0	0	115.1	R89 N102 F107	R89-T104 PolarHBondContact NH1-O 3.27Å; N102-T104 WeakPolarHBondContact CB-OG1 3.37Å; N102-T104 PolarHBondContact O-N 2.99Å; N102-T104 VanDerWaalsContact O-N 3.11Å; T104-F107 WeakPolarHBondContact CA-O 3.25Å
105	D	82.7	Confident	82.6	Confident	41 Å²	41	89.5 Å²	89.5	22%	0.219	48%	0.475	C	S	.	.	H	α-helix	trans	-74.3	-42.2	-179.8	-51.4	-20.5	0	0	0	109.1	R89 Y92 V100 Q101 N102 W103	R89-D105 PolarHBondContact NH1-O 3.43Å; Y92-D105 HydrophobicContact CE1-CB 4.43Å; V100-D105 HydrophobicContact CG1-CB 4.45Å; Q101-D105 PolarHBondContact N-OD2 3.41Å; N102-D105 PolarHBondContact N-OD2 2.9Å; N102-D105 WeakPolarHBondContact O-CB 3.37Å; N102-D105 PolarHBondContact O-N 2.94Å; W103-D105 PolarHBondContact O-N 3.31Å
106	V	85.3	Confident	83.1	Confident	10 Å²	10	89.8 Å²	89.8	6%	0.061	48%	0.483	C	S	.	.	H	α-helix	trans	-88.6	-47.5	-180	-177.9	0	0	0	0	112.2	T88 R89 L93 V100 W103	T88-V106 HydrophobicContact CG2-CG1 4.37Å; R89-V106 PolarHBondContact N-O 3.46Å; L93-V106 HydrophobicContact CD1-CG1 3.94Å; L93-V106 HydrophobicContact CD2-CG1 4.36Å; L93-V106 HydrophobicContact CG-CG1 4.02Å; V100-V106 HydrophobicContact CB-CG2 4.49Å; V100-V106 HydrophobicContact CG1-CG2 3.92Å; V100-V106 HydrophobicContact CG2-CG2 3.67Å; W103-V106 PolarHBondContact O-N 3.28Å
107	F	87.3	Confident	84	Confident	80 Å²	80	85.3 Å²	85.3	35%	0.351	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-106.2	112.6	-178.4	-59.9	-74.4	0	0	0	109.8	T88 W103 T104	T88-F107 HydrophobicContact CG2-CD1 4.21Å; T88-F107 HydrophobicContact CG2-CE1 3.85Å; T88-F107 WeakPolarHBondContact OG1-CD1 3.49Å; T88-F107 WeakPolarHBondContact OG1-CE1 3.49Å; W103-F107 HydrophobicContact CE3-CD2 4.29Å; W103-F107 HydrophobicContact CE3-CE2 4.15Å; W103-F107 HydrophobicContact CZ3-CE2 4.45Å; W103-F107 PolarHBondContact O-N 3.39Å; T104-F107 WeakPolarHBondContact CA-O 3.25Å
108	Q	87	Confident	84.8	Confident	46 Å²	46	84.7 Å²	84.7	22%	0.215	44%	0.442	C	S	.	.			trans	-70.3	133.2	175.4	-168.9	162.1	-24.8	0	0	109.4	C87	C87-Q108 PolarHBondContact O-N 3.26Å
109	P	86.1	Confident	85.7	Confident	51 Å²	51	88.2 Å²	88.2	33%	0.331	46%	0.455	S	S	.	.			trans	-57.8	137	-174.1	22.3	-34.8	0	0	0	111.5	N111 Q112 C113	P109-N111 VanDerWaalsContact C-N 3.31Å; P109-N111 PolarHBondContact O-N 3.35Å; P109-Q112 HydrophobicContact CG-CB 4.41Å; P109-Q112 PolarHBondContact O-N 2.97Å; P109-C113 PolarHBondContact O-N 2.99Å; P109-C113 VanDerWaalsContact O-N 3.14Å
110	P	84.7	Confident	86.6	Confident	68 Å²	68	87.4 Å²	87.4	44%	0.442	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-34.2	-161.9	22	-33.9	0	0	0	112.6	Q112 C113 W114	P110-Q112 PolarHBondContact O-N 2.75Å; P110-C113 PolarHBondContact O-N 3.16Å; P110-W114 WeakPolarHBondContact O-CB 3.45Å; P110-W114 PolarHBondContact O-N 3.28Å
111	N	87.7	Confident	87.3	Confident	132 Å²	132	84.4 Å²	84.4	71%	0.706	43%	0.434	S	S	*	.	H	α-helix	trans	-58.5	-27.9	174.6	65.4	-25.2	0	0	0	113.6	P109	P109-N111 VanDerWaalsContact C-N 3.31Å; P109-N111 PolarHBondContact O-N 3.35Å
112	Q	88.7	Confident	87.9	Confident	106 Å²	106	78.3 Å²	78.3	50%	0.495	41%	0.411	S	S	.	.	H	α-helix	trans	-89.6	-39.3	176.1	-161.1	-174.9	37.1	0	0	112	P109 P110 A115 S116	P109-Q112 HydrophobicContact CG-CB 4.41Å; P109-Q112 PolarHBondContact O-N 2.97Å; P110-Q112 PolarHBondContact O-N 2.75Å; Q112-A115 PolarHBondContact O-N 2.87Å; Q112-S116 PolarHBondContact O-OG 3.34Å
113	C	90.6	Very high	88.4	Confident	5 Å²	5	78.4 Å²	78.4	3%	0.034	41%	0.411	C	S	.	.	H	α-helix	trans	-63.9	-50.2	177.1	-179.5	0	0	0	0	112	C87 P109 P110 A115 S116 L117	C87-C113 WeakPolarHBondContact CA-SG 3.41Å; C87-C113 HydrophobicContact CB-CB 3.68Å; C87-C113 WeakPolarHBondContact CB-SG 3.42Å; C87-C113 WeakPolarHBondContact SG-CB 3.37Å; C87-C113 CovalentContact SG-SG 2.03Å; C87-C113 PolarHBondContact SG-SG 2.77Å; P109-C113 PolarHBondContact O-N 2.99Å; P109-C113 VanDerWaalsContact O-N 3.14Å; P110-C113 PolarHBondContact O-N 3.16Å; C113-A115 PolarHBondContact O-N 3.22Å; C113-S116 CarbonylContact O-C 3.59Å; C113-S116 PolarHBondContact O-N 3.35Å; C113-S116 PolarHBondContact O-OG 2.63Å; C113-L117 PolarHBondContact O-N 3.46Å
114	W	91.2	Very high	88.8	Confident	84 Å²	84	71 Å²	71	32%	0.318	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-67.6	-19.8	-177.6	-73.4	72.8	0	0	0	113.1	F79 I82 E83 P110 S116 L117 V125	F79-W114 HydrophobicContact CD2-CH2 4.4Å; F79-W114 AromaticContact CD2-CZ2 3.61Å; F79-W114 HydrophobicContact CD2-CZ2 3.61Å; F79-W114 HydrophobicContact CE2-CZ2 4.17Å; I82-W114 HydrophobicContact CB-CH2 3.99Å; I82-W114 HydrophobicContact CB-CZ2 3.75Å; I82-W114 HydrophobicContact CG1-CH2 4.04Å; I82-W114 HydrophobicContact CG1-CZ2 4.32Å; I82-W114 HydrophobicContact CG2-CD2 4.49Å; I82-W114 HydrophobicContact CG2-CH2 4.04Å; I82-W114 HydrophobicContact CG2-CZ2 3.66Å; E83-W114 PolarHBondContact OE1-NE1 2.8Å; P110-W114 WeakPolarHBondContact O-CB 3.45Å; P110-W114 PolarHBondContact O-N 3.28Å; W114-S116 VanDerWaalsContact C-N 3.32Å; W114-L117 HydrophobicContact CD2-CD1 4.5Å; W114-L117 HydrophobicContact CE3-CD1 4Å; W114-V125 HydrophobicContact CH2-CG2 4.32Å; W114-V125 HydrophobicContact CZ3-CG1 4.17Å; W114-V125 HydrophobicContact CZ3-CG2 3.83Å
115	A	89.9	Confident	89.2	Confident	86 Å²	86	68.5 Å²	68.5	71%	0.711	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-77.7	-12.4	170.8	0	0	0	0	0	113.9	Q112 C113	Q112-A115 PolarHBondContact O-N 2.87Å; C113-A115 PolarHBondContact O-N 3.22Å
116	S	90.1	Very high	89.7	Confident	79 Å²	79	70.5 Å²	70.5	55%	0.552	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-130.9	31.9	-174.3	55.9	0	0	0	0	113.7	Q112 C113 W114	Q112-S116 PolarHBondContact O-OG 3.34Å; C113-S116 CarbonylContact O-C 3.59Å; C113-S116 PolarHBondContact O-N 3.35Å; C113-S116 PolarHBondContact O-OG 2.63Å; W114-S116 VanDerWaalsContact C-N 3.32Å
117	L	90.5	Very high	89.9	Confident	34 Å²	34	71.6 Å²	71.6	18%	0.178	40%	0.398	C	S	.	.			trans	-62.8	134.6	-179.5	-66.8	175.2	0	0	0	112.9	I82 V86 C113 W114 A121 V125	I82-L117 HydrophobicContact CG2-CD2 3.73Å; V86-L117 HydrophobicContact CG1-CD2 4.2Å; C113-L117 PolarHBondContact O-N 3.46Å; W114-L117 HydrophobicContact CD2-CD1 4.5Å; W114-L117 HydrophobicContact CE3-CD1 4Å; L117-A121 HydrophobicContact CB-CB 4.5Å; L117-V125 HydrophobicContact CD1-CG2 4.16Å
118	P	92.9	Very high	90.1	Very high	68 Å²	68	68.4 Å²	68.4	44%	0.442	39%	0.385	S	S	.	.			trans	-69.6	155.9	174.1	29.8	-34.8	0	0	0	111.7	V86 F120 A121 S122	V86-P118 HydrophobicContact CG1-CG 4.21Å; V86-P118 HydrophobicContact CG2-CG 4.32Å; P118-F120 VanDerWaalsContact C-N 3.35Å; P118-F120 PolarHBondContact O-N 2.89Å; P118-F120 VanDerWaalsContact O-N 3.13Å; P118-A121 HydrophobicContact CG-CB 3.88Å; P118-A121 WeakPolarHBondContact O-CA 3.45Å; P118-A121 WeakPolarHBondContact O-CB 3.31Å; P118-A121 PolarHBondContact O-N 3.49Å; P118-S122 PolarHBondContact O-N 2.65Å; P118-S122 PolarHBondContact O-OG 2.96Å
119	F	92	Very high	90.4	Very high	146 Å²	146	69.9 Å²	69.9	64%	0.64	40%	0.397	S	S	*	.	H	α-helix	trans	-48.8	-44.8	-170.6	178.5	-100.1	0	0	0	115.4	S122 L123	F119-S122 WeakPolarHBondContact CA-OG 3.46Å; F119-S122 PolarHBondContact O-OG 3.45Å; F119-S122 VanDerWaalsContact O-OG 3.11Å; F119-L123 HydrophobicContact CE1-CD2 4.5Å; F119-L123 VanDerWaalsContact O-CB 3.29Å; F119-L123 WeakPolarHBondContact O-CB 3.48Å; F119-L123 PolarHBondContact O-N 3.41Å
120	F	90	Very high	90.7	Very high	167 Å²	167	72 Å²	72	73%	0.732	41%	0.405	S	S	*	.	H	α-helix	trans	-69.9	-32.6	179.2	-66.2	-70	0	0	0	112.9	P118 L124	P118-F120 VanDerWaalsContact C-N 3.35Å; P118-F120 PolarHBondContact O-N 2.89Å; P118-F120 VanDerWaalsContact O-N 3.13Å; F120-L124 WeakPolarHBondContact O-CB 3.47Å; F120-L124 PolarHBondContact O-N 3.3Å; F120-L124 VanDerWaalsContact O-N 3.08Å
121	A	90.6	Very high	90.8	Very high	11 Å²	11	69.6 Å²	69.6	9%	0.091	39%	0.389	C	S	.	.	H	α-helix	trans	-73.3	-42.4	175.8	0	0	0	0	0	111.3	I82 V86 L117 P118 L124 V125	I82-A121 HydrophobicContact CD1-CB 4.15Å; V86-A121 HydrophobicContact CG2-CB 3.97Å; L117-A121 HydrophobicContact CB-CB 4.5Å; P118-A121 HydrophobicContact CG-CB 3.88Å; P118-A121 WeakPolarHBondContact O-CA 3.45Å; P118-A121 WeakPolarHBondContact O-CB 3.31Å; P118-A121 PolarHBondContact O-N 3.49Å; A121-L124 PolarHBondContact O-N 2.95Å; A121-V125 WeakPolarHBondContact O-CG2 3.42Å; A121-V125 PolarHBondContact O-N 2.94Å
122	S	91.8	Very high	91	Very high	42 Å²	42	64.5 Å²	64.5	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-35.7	175.7	59	0	0	0	0	112.3	P118 F119 V125 V126	P118-S122 PolarHBondContact O-N 2.65Å; P118-S122 PolarHBondContact O-OG 2.96Å; F119-S122 WeakPolarHBondContact CA-OG 3.46Å; F119-S122 PolarHBondContact O-OG 3.45Å; F119-S122 VanDerWaalsContact O-OG 3.11Å; S122-V125 PolarHBondContact O-N 3.37Å; S122-V126 WeakPolarHBondContact O-CB 3.44Å; S122-V126 VanDerWaalsContact O-CG2 3.32Å; S122-V126 WeakPolarHBondContact O-CG2 3.11Å; S122-V126 PolarHBondContact O-N 3.25Å
123	L	91.2	Very high	91.2	Very high	100 Å²	100	63.9 Å²	63.9	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-43.5	170.5	-178.5	62.1	0	0	0	112.2	F119 V126 G127	F119-L123 HydrophobicContact CE1-CD2 4.5Å; F119-L123 VanDerWaalsContact O-CB 3.29Å; F119-L123 WeakPolarHBondContact O-CB 3.48Å; F119-L123 PolarHBondContact O-N 3.41Å; L123-V126 PolarHBondContact O-N 3.17Å; L123-G127 PolarHBondContact O-N 3.44Å
124	L	89.9	Confident	91.3	Very high	58 Å²	58	65.9 Å²	65.9	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-45.2	175.6	-169.8	158.7	0	0	0	111.1	I78 I82 F120 A121 G127 S128 V296	I78-L124 HydrophobicContact CD1-CD2 4.21Å; I78-L124 HydrophobicContact CG2-CD2 4.46Å; I82-L124 HydrophobicContact CD1-CD2 4.44Å; F120-L124 WeakPolarHBondContact O-CB 3.47Å; F120-L124 PolarHBondContact O-N 3.3Å; F120-L124 VanDerWaalsContact O-N 3.08Å; A121-L124 PolarHBondContact O-N 2.95Å; L124-G127 PolarHBondContact O-N 2.86Å; L124-S128 WeakPolarHBondContact O-CB 3.3Å; L124-S128 PolarHBondContact O-N 3.42Å; L124-V296 HydrophobicContact CD1-CG1 4.39Å
125	V	92.1	Very high	91.2	Very high	25 Å²	25	63.5 Å²	63.5	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-48.4	176.4	170.2	0	0	0	0	110.8	I82 W114 L117 A121 S122 G127 S128 V129	I82-V125 HydrophobicContact CD1-CG2 4.03Å; I82-V125 HydrophobicContact CG1-CG2 3.98Å; W114-V125 HydrophobicContact CH2-CG2 4.32Å; W114-V125 HydrophobicContact CZ3-CG1 4.17Å; W114-V125 HydrophobicContact CZ3-CG2 3.83Å; L117-V125 HydrophobicContact CD1-CG2 4.16Å; A121-V125 WeakPolarHBondContact O-CG2 3.42Å; A121-V125 PolarHBondContact O-N 2.94Å; S122-V125 PolarHBondContact O-N 3.37Å; V125-G127 PolarHBondContact O-N 3.13Å; V125-S128 PolarHBondContact O-N 3.24Å; V125-S128 VanDerWaalsContact O-N 3.11Å; V125-S128 PolarHBondContact O-OG 2.87Å; V125-V129 HydrophobicContact CG1-CG2 4.46Å; V125-V129 WeakPolarHBondContact O-CG2 3.39Å; V125-V129 PolarHBondContact O-N 3.23Å
126	V	93.3	Very high	91.3	Very high	82 Å²	82	63.1 Å²	63.1	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-44.5	176.1	169.3	0	0	0	0	111.6	S122 L123 S128 V129 I130	S122-V126 WeakPolarHBondContact O-CB 3.44Å; S122-V126 VanDerWaalsContact O-CG2 3.32Å; S122-V126 WeakPolarHBondContact O-CG2 3.11Å; S122-V126 PolarHBondContact O-N 3.25Å; L123-V126 PolarHBondContact O-N 3.17Å; V126-S128 VanDerWaalsContact C-N 3.31Å; V126-S128 PolarHBondContact O-N 2.63Å; V126-V129 PolarHBondContact O-N 3.14Å; V126-I130 HydrophobicContact CG1-CD1 3.91Å; V126-I130 WeakPolarHBondContact O-CG1 3.32Å; V126-I130 PolarHBondContact O-N 3.03Å
127	G	91.1	Very high	91.4	Very high	33 Å²	33	63.9 Å²	63.9	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-61	-38.2	174.6	0	0	0	0	0	113.1	L123 L124 V125 T131	L123-G127 PolarHBondContact O-N 3.44Å; L124-G127 PolarHBondContact O-N 2.86Å; V125-G127 PolarHBondContact O-N 3.13Å; G127-T131 WeakPolarHBondContact O-CB 3.48Å; G127-T131 PolarHBondContact O-N 3.06Å; G127-T131 PolarHBondContact O-OG1 3.25Å
128	S	90.1	Very high	91.4	Very high	14 Å²	14	64.8 Å²	64.8	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-69.8	-37.7	176.7	79	0	0	0	0	112.6	L124 V125 V126 T131 V132	L124-S128 WeakPolarHBondContact O-CB 3.3Å; L124-S128 PolarHBondContact O-N 3.42Å; V125-S128 PolarHBondContact O-N 3.24Å; V125-S128 VanDerWaalsContact O-N 3.11Å; V125-S128 PolarHBondContact O-OG 2.87Å; V126-S128 VanDerWaalsContact C-N 3.31Å; V126-S128 PolarHBondContact O-N 2.63Å; S128-T131 WeakPolarHBondContact O-CB 3.48Å; S128-T131 PolarHBondContact O-N 3.38Å; S128-V132 WeakPolarHBondContact O-CG2 3.42Å; S128-V132 PolarHBondContact O-N 2.99Å
129	V	92.8	Very high	91.3	Very high	76 Å²	76	62.7 Å²	62.7	46%	0.461	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-45.3	175	171	0	0	0	0	111.2	V125 V126 T131 V132 I133	V125-V129 HydrophobicContact CG1-CG2 4.46Å; V125-V129 WeakPolarHBondContact O-CG2 3.39Å; V125-V129 PolarHBondContact O-N 3.23Å; V126-V129 PolarHBondContact O-N 3.14Å; V129-T131 VanDerWaalsContact C-N 3.28Å; V129-T131 PolarHBondContact O-N 3.16Å; V129-V132 PolarHBondContact O-N 3.34Å; V129-I133 HydrophobicContact CG1-CD1 3.99Å; V129-I133 WeakPolarHBondContact O-CG1 3.48Å; V129-I133 PolarHBondContact O-N 3.06Å
130	I	93	Very high	91.3	Very high	95 Å²	95	59 Å²	59	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-59.7	-42.4	173.8	-67	165.8	0	0	0	110.3	V126 I133 V134	V126-I130 HydrophobicContact CG1-CD1 3.91Å; V126-I130 WeakPolarHBondContact O-CG1 3.32Å; V126-I130 PolarHBondContact O-N 3.03Å; I130-I133 PolarHBondContact O-N 3.37Å; I130-V134 WeakPolarHBondContact O-CG2 3.3Å; I130-V134 PolarHBondContact O-N 3.05Å; I130-V134 VanDerWaalsContact O-N 3.09Å
131	T	87.8	Confident	91.4	Very high	18 Å²	18	53.9 Å²	53.9	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-47.5	175.9	-59.5	0	0	0	0	111.3	F74 G127 S128 V129 I133 V134 Q135	F74-T131 HydrophobicContact CE2-CG2 4.5Å; F74-T131 HydrophobicContact CZ-CG2 4.01Å; G127-T131 WeakPolarHBondContact O-CB 3.48Å; G127-T131 PolarHBondContact O-N 3.06Å; G127-T131 PolarHBondContact O-OG1 3.25Å; S128-T131 WeakPolarHBondContact O-CB 3.48Å; S128-T131 PolarHBondContact O-N 3.38Å; V129-T131 VanDerWaalsContact C-N 3.28Å; V129-T131 PolarHBondContact O-N 3.16Å; T131-I133 PolarHBondContact O-N 3.21Å; T131-V134 PolarHBondContact O-N 2.95Å; T131-Q135 HydrophobicContact CG2-CG 4.21Å; T131-Q135 WeakPolarHBondContact O-CB 3.33Å; T131-Q135 VanDerWaalsContact O-CG 3.27Å; T131-Q135 WeakPolarHBondContact O-CG 3.49Å; T131-Q135 PolarHBondContact O-N 3.01Å
132	V	91.1	Very high	91.4	Very high	25 Å²	25	56 Å²	56	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-44.4	177.1	162.3	0	0	0	0	111.7	L71 F74 I75 S128 V129 V134 Q135 I136	L71-V132 HydrophobicContact CD1-CG1 4.32Å; L71-V132 HydrophobicContact CD1-CG2 4.32Å; F74-V132 HydrophobicContact CD1-CG2 3.77Å; F74-V132 HydrophobicContact CE1-CG2 3.72Å; I75-V132 HydrophobicContact CG1-CG2 4.2Å; S128-V132 WeakPolarHBondContact O-CG2 3.42Å; S128-V132 PolarHBondContact O-N 2.99Å; V129-V132 PolarHBondContact O-N 3.34Å; V132-V134 PolarHBondContact O-N 3.33Å; V132-Q135 PolarHBondContact O-N 2.8Å; V132-I136 HydrophobicContact CG1-CD1 3.73Å; V132-I136 HydrophobicContact CG1-CG1 4.45Å; V132-I136 VanDerWaalsContact O-CG1 3.28Å; V132-I136 WeakPolarHBondContact O-CG1 3.33Å; V132-I136 PolarHBondContact O-N 3.33Å
133	I	93.7	Very high	91.4	Very high	93 Å²	93	55.2 Å²	55.2	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-46.4	178.1	-68.9	164.6	0	0	0	110.9	V129 I130 T131 I136 I137	V129-I133 HydrophobicContact CG1-CD1 3.99Å; V129-I133 WeakPolarHBondContact O-CG1 3.48Å; V129-I133 PolarHBondContact O-N 3.06Å; I130-I133 PolarHBondContact O-N 3.37Å; T131-I133 PolarHBondContact O-N 3.21Å; I133-I136 PolarHBondContact O-N 3.03Å; I133-I137 HydrophobicContact CG2-CD1 4.17Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 3.5Å; I133-I137 VanDerWaalsContact O-N 3.1Å
134	V	91.3	Very high	91.5	Very high	47 Å²	47	54.3 Å²	54.3	29%	0.285	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-36.9	178.4	-179.7	0	0	0	0	111.8	I130 T131 V132 I137 Y138 I810	I130-V134 WeakPolarHBondContact O-CG2 3.3Å; I130-V134 PolarHBondContact O-N 3.05Å; I130-V134 VanDerWaalsContact O-N 3.09Å; T131-V134 PolarHBondContact O-N 2.95Å; V132-V134 PolarHBondContact O-N 3.33Å; V134-I137 PolarHBondContact O-N 3.45Å; V134-Y138 WeakPolarHBondContact O-CB 3.43Å; V134-Y138 PolarHBondContact O-N 2.77Å; V134-I810 HydrophobicContact CB-CD1 4.02Å; V134-I810 HydrophobicContact CG1-CD1 3.72Å; V134-I810 HydrophobicContact CG2-CD1 3.84Å
135	Q	89.4	Confident	91.5	Very high	34 Å²	34	54 Å²	54	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-39	174.3	-70	-63.9	-12	0	0	111.7	W70 T131 V132 Y138 V139	W70-Q135 HydrophobicContact CH2-CG 4.17Å; W70-Q135 HydrophobicContact CZ3-CB 4.34Å; W70-Q135 HydrophobicContact CZ3-CG 4.13Å; T131-Q135 HydrophobicContact CG2-CG 4.21Å; T131-Q135 WeakPolarHBondContact O-CB 3.33Å; T131-Q135 VanDerWaalsContact O-CG 3.27Å; T131-Q135 WeakPolarHBondContact O-CG 3.49Å; T131-Q135 PolarHBondContact O-N 3.01Å; V132-Q135 PolarHBondContact O-N 2.8Å; Q135-Y138 PolarHBondContact O-N 3.18Å; Q135-V139 VanDerWaalsContact O-CB 3.24Å; Q135-V139 WeakPolarHBondContact O-CB 3.45Å; Q135-V139 VanDerWaalsContact O-CG2 3.24Å; Q135-V139 WeakPolarHBondContact O-CG2 3.49Å; Q135-V139 PolarHBondContact O-N 2.69Å
136	I	91.8	Very high	91.5	Very high	79 Å²	79	52.8 Å²	52.8	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-43.5	174.1	-71.2	164.6	0	0	0	111	L71 V132 I133 S140	L71-I136 HydrophobicContact CD2-CD1 4.19Å; L71-I136 HydrophobicContact CD2-CG1 3.82Å; V132-I136 HydrophobicContact CG1-CD1 3.73Å; V132-I136 HydrophobicContact CG1-CG1 4.45Å; V132-I136 VanDerWaalsContact O-CG1 3.28Å; V132-I136 WeakPolarHBondContact O-CG1 3.33Å; V132-I136 PolarHBondContact O-N 3.33Å; I133-I136 PolarHBondContact O-N 3.03Å; I136-S140 VanDerWaalsContact O-CB 3.32Å; I136-S140 WeakPolarHBondContact O-CB 3.32Å; I136-S140 PolarHBondContact O-N 3.36Å; I136-S140 PolarHBondContact O-OG 3.46Å
137	I	94	Very high	91.4	Very high	95 Å²	95	54.7 Å²	54.7	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-48.3	175.7	-66.2	164.5	0	0	0	110.4	I133 V134 S140 I141	I133-I137 HydrophobicContact CG2-CD1 4.17Å; I133-I137 WeakPolarHBondContact O-CG1 3.48Å; I133-I137 PolarHBondContact O-N 3.5Å; I133-I137 VanDerWaalsContact O-N 3.1Å; V134-I137 PolarHBondContact O-N 3.45Å; I137-S140 PolarHBondContact O-N 3.19Å; I137-I141 HydrophobicContact CG2-CD1 4.02Å; I137-I141 WeakPolarHBondContact O-CG1 3.27Å; I137-I141 PolarHBondContact O-N 2.91Å
138	Y	89.4	Confident	91.4	Very high	53 Å²	53	57.4 Å²	57.4	21%	0.208	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-49.3	179.9	-176.6	-88.3	0	0	0	112.1	V134 Q135 S140 I141 R142 L804	V134-Y138 WeakPolarHBondContact O-CB 3.43Å; V134-Y138 PolarHBondContact O-N 2.77Å; Q135-Y138 PolarHBondContact O-N 3.18Å; Y138-S140 VanDerWaalsContact C-N 3.3Å; Y138-S140 PolarHBondContact O-N 2.93Å; Y138-I141 PolarHBondContact O-N 3.48Å; Y138-R142 WeakPolarHBondContact O-CB 3.33Å; Y138-R142 PolarHBondContact O-N 3.42Å; Y138-L804 HydrophobicContact CD2-CD2 4.49Å; Y138-L804 WeakPolarHBondContact CE2-O 3.27Å; Y138-L804 PolarHBondContact OH-O 3.2Å
139	V	89.9	Confident	91.5	Very high	24 Å²	24	57 Å²	57	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-39.3	175.6	165.9	0	0	0	0	111	Q67 Q135 R142 L143	Q67-V139 HydrophobicContact CB-CG1 3.76Å; Q67-V139 HydrophobicContact CB-CG2 4.37Å; Q67-V139 HydrophobicContact CG-CG1 4.11Å; Q135-V139 VanDerWaalsContact O-CB 3.24Å; Q135-V139 WeakPolarHBondContact O-CB 3.45Å; Q135-V139 VanDerWaalsContact O-CG2 3.24Å; Q135-V139 WeakPolarHBondContact O-CG2 3.49Å; Q135-V139 PolarHBondContact O-N 2.69Å; V139-R142 PolarHBondContact O-N 3.07Å; V139-L143 HydrophobicContact CG1-CD1 3.6Å; V139-L143 HydrophobicContact CG1-CG 4.13Å; V139-L143 WeakPolarHBondContact O-CB 3.33Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.33Å; V139-L143 PolarHBondContact O-N 3.28Å
140	S	92.9	Very high	91.4	Very high	68 Å²	68	55.8 Å²	55.8	48%	0.476	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-45.2	177.6	-59.1	0	0	0	0	112.2	I136 I137 Y138 L143 S144	I136-S140 VanDerWaalsContact O-CB 3.32Å; I136-S140 WeakPolarHBondContact O-CB 3.32Å; I136-S140 PolarHBondContact O-N 3.36Å; I136-S140 PolarHBondContact O-OG 3.46Å; I137-S140 PolarHBondContact O-N 3.19Å; Y138-S140 VanDerWaalsContact C-N 3.3Å; Y138-S140 PolarHBondContact O-N 2.93Å; S140-L143 PolarHBondContact O-N 3.05Å; S140-S144 PolarHBondContact O-N 3.05Å
141	I	92.7	Very high	91.2	Very high	59 Å²	59	57.6 Å²	57.6	30%	0.303	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-45.2	176.5	-64.4	164.9	0	0	0	110.4	I137 Y138 S144 R145 L804	I137-I141 HydrophobicContact CG2-CD1 4.02Å; I137-I141 WeakPolarHBondContact O-CG1 3.27Å; I137-I141 PolarHBondContact O-N 2.91Å; Y138-I141 PolarHBondContact O-N 3.48Å; I141-S144 WeakPolarHBondContact O-CB 3.43Å; I141-S144 PolarHBondContact O-N 3.27Å; I141-R145 PolarHBondContact O-N 3.25Å; I141-L804 HydrophobicContact CD1-CD1 4.47Å; I141-L804 HydrophobicContact CD1-CD2 3.85Å; I141-L804 HydrophobicContact CG2-CD1 4.09Å; I141-L804 HydrophobicContact CG2-CD2 4.18Å
142	R	89.2	Confident	91.3	Very high	55 Å²	55	56.8 Å²	56.8	21%	0.208	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-48.3	176.5	-179.2	179.9	177.1	-178.6	7.3	111.7	Y138 V139 S144 R145 F146	Y138-R142 WeakPolarHBondContact O-CB 3.33Å; Y138-R142 PolarHBondContact O-N 3.42Å; V139-R142 PolarHBondContact O-N 3.07Å; R142-S144 VanDerWaalsContact C-N 3.33Å; R142-S144 PolarHBondContact O-N 3.19Å; R142-R145 WeakPolarHBondContact O-CB 3.41Å; R142-R145 PolarHBondContact O-N 3.26Å; R142-F146 HydrophobicContact CG-CD2 3.81Å; R142-F146 HydrophobicContact CG-CE2 3.9Å; R142-F146 WeakPolarHBondContact O-CD2 3.36Å; R142-F146 PolarHBondContact O-N 3.05Å
143	L	92.3	Very high	91.2	Very high	26 Å²	26	55.6 Å²	55.6	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-38.3	177.7	-72.9	169.8	0	0	0	111.7	F60 I63 L64 Q67 V139 S140 R145 F146 W147	F60-L143 HydrophobicContact CE2-CD2 4.16Å; F60-L143 WeakPolarHBondContact CE2-O 3.37Å; F60-L143 HydrophobicContact CZ-CB 4.42Å; F60-L143 HydrophobicContact CZ-CD2 4.01Å; I63-L143 HydrophobicContact CG2-CD2 4.27Å; L64-L143 HydrophobicContact CB-CD2 4.31Å; L64-L143 HydrophobicContact CD1-CD1 3.62Å; L64-L143 HydrophobicContact CD1-CD2 4Å; L64-L143 HydrophobicContact CD1-CG 4.47Å; Q67-L143 HydrophobicContact CG-CD2 4.48Å; V139-L143 HydrophobicContact CG1-CD1 3.6Å; V139-L143 HydrophobicContact CG1-CG 4.13Å; V139-L143 WeakPolarHBondContact O-CB 3.33Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.33Å; V139-L143 PolarHBondContact O-N 3.28Å; S140-L143 PolarHBondContact O-N 3.05Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.41Å; L143-F146 PolarHBondContact O-N 3.22Å; L143-W147 WeakPolarHBondContact O-CB 3.42Å; L143-W147 PolarHBondContact O-N 3.13Å
144	S	93.6	Very high	91	Very high	82 Å²	82	52.7 Å²	52.7	57%	0.573	26%	0.256	S	S	*	.	H	α-helix	trans	-60.1	-42.1	173.7	-165.2	0	0	0	0	111.8	S140 I141 R142 W147 E148	S140-S144 PolarHBondContact O-N 3.05Å; I141-S144 WeakPolarHBondContact O-CB 3.43Å; I141-S144 PolarHBondContact O-N 3.27Å; R142-S144 VanDerWaalsContact C-N 3.33Å; R142-S144 PolarHBondContact O-N 3.19Å; S144-W147 WeakPolarHBondContact O-CB 3.25Å; S144-W147 PolarHBondContact O-N 2.94Å; S144-E148 PolarHBondContact O-N 2.97Å
145	R	90.5	Very high	90.8	Very high	50 Å²	50	57.9 Å²	57.9	19%	0.189	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-44.6	175.9	-163	177.8	75.2	-129.9	-1.6	111.9	Q46 D50 I141 R142 L143 W147 E148 I149 D805	Q46-R145 VanDerWaalsContact NE2-NH2 3.13Å; D50-R145 IonicContact OD1-NH2 3.16Å; D50-R145 PolarHBondContact OD1-NH2 3.26Å; D50-R145 IonicContact OD2-CZ 2.91Å; D50-R145 IonicContact OD2-NE 2.72Å; D50-R145 PolarHBondContact OD2-NE 3.43Å; D50-R145 IonicContact OD2-NH2 2.83Å; D50-R145 PolarHBondContact OD2-NH2 3.21Å; I141-R145 PolarHBondContact O-N 3.25Å; R142-R145 WeakPolarHBondContact O-CB 3.41Å; R142-R145 PolarHBondContact O-N 3.26Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.41Å; R145-W147 PolarHBondContact O-N 2.82Å; R145-E148 WeakPolarHBondContact O-CA 3.49Å; R145-E148 VanDerWaalsContact O-CB 3.23Å; R145-E148 WeakPolarHBondContact O-CB 3.44Å; R145-E148 PolarHBondContact O-N 2.94Å; R145-E148 VanDerWaalsContact O-N 3.09Å; R145-I149 WeakPolarHBondContact O-CG1 3.48Å; R145-I149 PolarHBondContact O-N 3.25Å; R145-D805 IonicContact CZ-OD1 2.76Å; R145-D805 IonicContact NH1-OD1 3.12Å; R145-D805 PolarHBondContact NH1-OD1 3.02Å; R145-D805 IonicContact NH2-OD1 2.69Å; R145-D805 PolarHBondContact NH2-OD1 2.75Å; R145-D805 IonicContact NH2-OD2 3.38Å; R145-D805 PolarHBondContact NH2-OD2 2.91Å
146	F	91.6	Very high	90.6	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-23.5	175.9	-86.2	-77.8	0	0	0	113.6	D50 K53 Y54 F60 I63 R142 L143 R150	D50-F146 HydrophobicContact CB-CE1 3.96Å; D50-F146 HydrophobicContact CB-CZ 3.95Å; D50-F146 WeakPolarHBondContact O-CE1 3.44Å; D50-F146 VanDerWaalsContact OD1-CZ 3.3Å; D50-F146 WeakPolarHBondContact OD1-CZ 3.41Å; K53-F146 HydrophobicContact CB-CE1 4.1Å; K53-F146 HydrophobicContact CB-CZ 4.08Å; K53-F146 HydrophobicContact CD-CZ 4.03Å; Y54-F146 HydrophobicContact CD2-CD1 4.35Å; F60-F146 HydrophobicContact CD2-CB 4.16Å; F60-F146 HydrophobicContact CE2-CB 4.08Å; I63-F146 HydrophobicContact CD1-CD1 3.84Å; I63-F146 HydrophobicContact CD1-CE1 4.06Å; I63-F146 HydrophobicContact CD1-CG 4.44Å; R142-F146 HydrophobicContact CG-CD2 3.81Å; R142-F146 HydrophobicContact CG-CE2 3.9Å; R142-F146 WeakPolarHBondContact O-CD2 3.36Å; R142-F146 PolarHBondContact O-N 3.05Å; L143-F146 PolarHBondContact O-N 3.22Å; F146-R150 PolarHBondContact O-N 3.14Å
147	W	91.8	Very high	90.4	Very high	122 Å²	122	53.9 Å²	53.9	46%	0.462	25%	0.252	S	S	.	.	H	α-helix	trans	-72.4	-34.4	170.6	-169.8	-104.3	0	0	0	112.2	F60 L143 S144 R145 R150 R151	F60-W147 AromaticContact CD1-CE3 3.85Å; F60-W147 HydrophobicContact CD1-CE3 3.85Å; F60-W147 AromaticContact CD1-CZ3 3.87Å; F60-W147 HydrophobicContact CD1-CZ3 3.87Å; F60-W147 HydrophobicContact CD2-CE3 4.15Å; F60-W147 AromaticContact CE1-CE3 3.62Å; F60-W147 HydrophobicContact CE1-CE3 3.62Å; F60-W147 AromaticContact CE1-CZ3 3.82Å; F60-W147 HydrophobicContact CE1-CZ3 3.82Å; F60-W147 HydrophobicContact CE2-CB 4.1Å; F60-W147 AromaticContact CE2-CE3 3.95Å; F60-W147 HydrophobicContact CE2-CE3 3.95Å; F60-W147 HydrophobicContact CG-CE3 4.11Å; F60-W147 HydrophobicContact CG-CZ3 4.42Å; F60-W147 HydrophobicContact CZ-CB 4.47Å; F60-W147 AromaticContact CZ-CE3 3.68Å; F60-W147 HydrophobicContact CZ-CE3 3.68Å; F60-W147 HydrophobicContact CZ-CZ3 4.35Å; L143-W147 WeakPolarHBondContact O-CB 3.42Å; L143-W147 PolarHBondContact O-N 3.13Å; S144-W147 WeakPolarHBondContact O-CB 3.25Å; S144-W147 PolarHBondContact O-N 2.94Å; R145-W147 PolarHBondContact O-N 2.82Å; W147-R150 PolarHBondContact O-N 2.86Å; W147-R151 WeakPolarHBondContact O-CG 3.37Å; W147-R151 PolarHBondContact O-N 2.93Å; W147-R151 VanDerWaalsContact O-N 3.09Å
148	E	91	Very high	90	Very high	90 Å²	90	55.3 Å²	55.3	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-47.9	168.3	-121	-175	149.6	0	0	111.6	W38 S144 R145 R150 R151 F152	W38-E148 HydrophobicContact CH2-CB 4.34Å; W38-E148 HydrophobicContact CH2-CG 3.98Å; S144-E148 PolarHBondContact O-N 2.97Å; R145-E148 WeakPolarHBondContact O-CA 3.49Å; R145-E148 VanDerWaalsContact O-CB 3.23Å; R145-E148 WeakPolarHBondContact O-CB 3.44Å; R145-E148 PolarHBondContact O-N 2.94Å; R145-E148 VanDerWaalsContact O-N 3.09Å; E148-R150 VanDerWaalsContact C-N 3.33Å; E148-R150 PolarHBondContact O-N 3.47Å; E148-R151 WeakPolarHBondContact O-CA 3.48Å; E148-R151 WeakPolarHBondContact O-CB 3.42Å; E148-R151 PolarHBondContact O-N 3.21Å; E148-F152 PolarHBondContact O-N 2.96Å
149	I	91.1	Very high	89.9	Confident	5 Å²	5	53 Å²	53	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-42.2	174.9	-60	-61.7	0	0	0	111	F47 D50 I51 Y54 R145 R151 F152 C153	F47-I149 HydrophobicContact CD2-CD1 3.51Å; F47-I149 HydrophobicContact CE2-CD1 3.64Å; D50-I149 HydrophobicContact CB-CD1 4.26Å; D50-I149 HydrophobicContact CB-CG1 4.01Å; I51-I149 HydrophobicContact CG1-CD1 4.35Å; I51-I149 HydrophobicContact CG1-CG2 3.96Å; Y54-I149 HydrophobicContact CD2-CG2 4.44Å; Y54-I149 HydrophobicContact CG-CG2 4.16Å; R145-I149 WeakPolarHBondContact O-CG1 3.48Å; R145-I149 PolarHBondContact O-N 3.25Å; I149-R151 VanDerWaalsContact C-N 3.31Å; I149-R151 PolarHBondContact O-N 3.46Å; I149-F152 WeakPolarHBondContact O-CB 3.36Å; I149-F152 PolarHBondContact O-N 2.9Å; I149-C153 WeakPolarHBondContact O-CB 3.43Å; I149-C153 PolarHBondContact O-N 3.44Å; I149-C153 PolarHBondContact O-SG 3.23Å
150	R	91.4	Very high	89.6	Confident	50 Å²	50	54.1 Å²	54.1	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-44.5	172.5	177.6	172.9	-178.7	104.4	0.5	111.7	Y54 F146 W147 E148 C153 T154 S161	Y54-R150 HydrophobicContact CE2-CB 3.83Å; Y54-R150 HydrophobicContact CE2-CG 4.35Å; Y54-R150 WeakPolarHBondContact OH-CG 3.38Å; Y54-R150 PolarHBondContact OH-NH1 3.15Å; F146-R150 PolarHBondContact O-N 3.14Å; W147-R150 PolarHBondContact O-N 2.86Å; E148-R150 VanDerWaalsContact C-N 3.33Å; E148-R150 PolarHBondContact O-N 3.47Å; R150-C153 PolarHBondContact O-N 3.09Å; R150-T154 WeakPolarHBondContact O-CB 3.47Å; R150-T154 PolarHBondContact O-N 2.9Å; R150-T154 PolarHBondContact O-OG1 3.42Å; R150-S161 PolarHBondContact NH2-O 3.22Å
151	R	89.5	Confident	88.8	Confident	134 Å²	134	54.2 Å²	54.2	51%	0.506	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-42.5	177.6	-72.3	172	166.9	-175.3	-4.5	111.7	W147 E148 I149 Y155	W147-R151 WeakPolarHBondContact O-CG 3.37Å; W147-R151 PolarHBondContact O-N 2.93Å; W147-R151 VanDerWaalsContact O-N 3.09Å; E148-R151 WeakPolarHBondContact O-CA 3.48Å; E148-R151 WeakPolarHBondContact O-CB 3.42Å; E148-R151 PolarHBondContact O-N 3.21Å; I149-R151 VanDerWaalsContact C-N 3.31Å; I149-R151 PolarHBondContact O-N 3.46Å; R151-Y155 HydrophobicContact CB-CD2 4.04Å; R151-Y155 HydrophobicContact CB-CE2 4.25Å; R151-Y155 HydrophobicContact CG-CD2 4.41Å; R151-Y155 HydrophobicContact CG-CE2 4.11Å; R151-Y155 VanDerWaalsContact O-CB 3.3Å; R151-Y155 WeakPolarHBondContact O-CB 3.28Å; R151-Y155 VanDerWaalsContact O-CD2 3.24Å; R151-Y155 WeakPolarHBondContact O-CD2 3.42Å; R151-Y155 PolarHBondContact O-N 3.2Å
152	F	89.1	Confident	88.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-51.1	175.1	-173.9	-104	0	0	0	111.7	W38 F47 I51 E148 I149 T154 I156 L157 L178 F187	W38-F152 HydrophobicContact CB-CE2 4.48Å; W38-F152 AromaticContact CD2-CD2 3.66Å; W38-F152 HydrophobicContact CD2-CD2 3.66Å; W38-F152 HydrophobicContact CD2-CE2 4.22Å; W38-F152 AromaticContact CE2-CD2 3.94Å; W38-F152 AromaticContact CE3-CD2 3.74Å; W38-F152 HydrophobicContact CE3-CD2 3.74Å; W38-F152 HydrophobicContact CE3-CE2 4.33Å; W38-F152 HydrophobicContact CE3-CG 4.44Å; W38-F152 HydrophobicContact CG-CD2 4.12Å; W38-F152 HydrophobicContact CG-CE2 4.28Å; W38-F152 HydrophobicContact CH2-CB 3.84Å; W38-F152 HydrophobicContact CH2-CD2 4.34Å; W38-F152 HydrophobicContact CH2-CG 4.49Å; W38-F152 HydrophobicContact CZ2-CB 4.07Å; W38-F152 HydrophobicContact CZ2-CD2 4.27Å; W38-F152 HydrophobicContact CZ3-CB 4.14Å; W38-F152 HydrophobicContact CZ3-CD2 4.09Å; W38-F152 HydrophobicContact CZ3-CG 4.38Å; F47-F152 HydrophobicContact CE1-CD1 4.4Å; F47-F152 AromaticContact CE1-CE1 3.92Å; F47-F152 HydrophobicContact CE1-CE1 3.92Å; F47-F152 HydrophobicContact CE1-CZ 4.07Å; F47-F152 HydrophobicContact CE2-CD1 4.29Å; F47-F152 HydrophobicContact CE2-CG 4.32Å; F47-F152 AromaticContact CZ-CD1 3.6Å; F47-F152 HydrophobicContact CZ-CD1 3.6Å; F47-F152 AromaticContact CZ-CD2 3.98Å; F47-F152 HydrophobicContact CZ-CD2 3.98Å; F47-F152 AromaticContact CZ-CE1 3.5Å; F47-F152 HydrophobicContact CZ-CE1 3.5Å; F47-F152 AromaticContact CZ-CE2 3.92Å; F47-F152 HydrophobicContact CZ-CE2 3.92Å; F47-F152 AromaticContact CZ-CG 3.84Å; F47-F152 HydrophobicContact CZ-CG 3.84Å; F47-F152 AromaticContact CZ-CZ 3.69Å; F47-F152 HydrophobicContact CZ-CZ 3.69Å; I51-F152 HydrophobicContact CD1-CD1 3.82Å; I51-F152 HydrophobicContact CD1-CE1 3.72Å; I51-F152 HydrophobicContact CG1-CD1 4.46Å; E148-F152 PolarHBondContact O-N 2.96Å; I149-F152 WeakPolarHBondContact O-CB 3.36Å; I149-F152 PolarHBondContact O-N 2.9Å; F152-T154 PolarHBondContact O-N 3.02Å; F152-I156 HydrophobicContact CD2-CB 4.26Å; F152-I156 HydrophobicContact CD2-CD1 3.67Å; F152-I156 HydrophobicContact CE2-CB 4.18Å; F152-I156 HydrophobicContact CE2-CD1 3.77Å; F152-I156 HydrophobicContact CE2-CG2 3.93Å; F152-I156 HydrophobicContact CZ-CG2 4.19Å; F152-I156 WeakPolarHBondContact O-CB 3.38Å; F152-I156 PolarHBondContact O-N 2.65Å; F152-L157 HydrophobicContact CD1-CD1 3.59Å; F152-L157 HydrophobicContact CD1-CG 4.37Å; F152-L157 HydrophobicContact CE1-CD1 3.46Å; F152-L157 VanDerWaalsContact CE1-CD1 3.46Å; F152-L157 HydrophobicContact CE1-CG 4.03Å; F152-L157 HydrophobicContact CZ-CD1 4.48Å; F152-L157 PolarHBondContact O-N 3.38Å; F152-L178 HydrophobicContact CE1-CD1 4.08Å; F152-L178 HydrophobicContact CZ-CD1 4.43Å; F152-F187 AromaticContact CE2-CE1 3.76Å; F152-F187 HydrophobicContact CE2-CE1 3.76Å; F152-F187 HydrophobicContact CE2-CZ 4.16Å; F152-F187 AromaticContact CZ-CE1 3.63Å; F152-F187 HydrophobicContact CZ-CE1 3.63Å; F152-F187 AromaticContact CZ-CZ 3.65Å; F152-F187 HydrophobicContact CZ-CZ 3.65Å
153	C	89.7	Confident	87.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-47.5	177.4	-71.3	0	0	0	0	112.9	Y54 I149 R150 L157 N158 M159	Y54-C153 HydrophobicContact CD1-CB 4.42Å; Y54-C153 HydrophobicContact CE1-CB 4.16Å; I149-C153 WeakPolarHBondContact O-CB 3.43Å; I149-C153 PolarHBondContact O-N 3.44Å; I149-C153 PolarHBondContact O-SG 3.23Å; R150-C153 PolarHBondContact O-N 3.09Å; C153-L157 CarbonylContact O-C 3.51Å; C153-L157 WeakPolarHBondContact O-CB 3.5Å; C153-N158 PolarHBondContact O-N 3.36Å; C153-M159 HydrophobicContact CB-CB 4.38Å; C153-M159 HydrophobicContact CB-CG 4.35Å; C153-M159 HydrophobicContact CB-SD 3.58Å; C153-M159 VanDerWaalsContact CB-SD 3.58Å; C153-M159 WeakPolarHBondContact O-CB 3.37Å; C153-M159 WeakPolarHBondContact O-CG 3.43Å; C153-M159 PolarHBondContact O-N 3.06Å
154	T	88.2	Confident	86.7	Confident	32 Å²	32	58.4 Å²	58.4	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-77.8	-35.9	-177.5	-60.9	0	0	0	0	113.7	R150 F152	R150-T154 WeakPolarHBondContact O-CB 3.47Å; R150-T154 PolarHBondContact O-N 2.9Å; R150-T154 PolarHBondContact O-OG1 3.42Å; F152-T154 PolarHBondContact O-N 3.02Å
155	Y	87.1	Confident	86	Confident	156 Å²	156	55.3 Å²	55.3	61%	0.612	28%	0.277	S	S	*	.	H	α-helix	trans	-100.9	-15.8	-171.9	-61.6	-52.1	0	0	0	116.1	R151	R151-Y155 HydrophobicContact CB-CD2 4.04Å; R151-Y155 HydrophobicContact CB-CE2 4.25Å; R151-Y155 HydrophobicContact CG-CD2 4.41Å; R151-Y155 HydrophobicContact CG-CE2 4.11Å; R151-Y155 VanDerWaalsContact O-CB 3.3Å; R151-Y155 WeakPolarHBondContact O-CB 3.28Å; R151-Y155 VanDerWaalsContact O-CD2 3.24Å; R151-Y155 WeakPolarHBondContact O-CD2 3.42Å; R151-Y155 PolarHBondContact O-N 3.2Å
156	I	86	Confident	85.7	Confident	27 Å²	27	53 Å²	53	14%	0.138	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-47.2	-179.9	-70.4	167.7	0	0	0	110.4	W38 F152 N158 F185	W38-I156 VanDerWaalsContact CD1-CD1 3.41Å; W38-I156 HydrophobicContact CG-CD1 3.99Å; F152-I156 HydrophobicContact CD2-CB 4.26Å; F152-I156 HydrophobicContact CD2-CD1 3.67Å; F152-I156 HydrophobicContact CE2-CB 4.18Å; F152-I156 HydrophobicContact CE2-CD1 3.77Å; F152-I156 HydrophobicContact CE2-CG2 3.93Å; F152-I156 HydrophobicContact CZ-CG2 4.19Å; F152-I156 WeakPolarHBondContact O-CB 3.38Å; F152-I156 PolarHBondContact O-N 2.65Å; I156-N158 PolarHBondContact O-N 2.8Å; I156-F185 HydrophobicContact CD1-CE1 4.04Å; I156-F185 HydrophobicContact CD1-CE2 4.31Å; I156-F185 HydrophobicContact CD1-CZ 3.94Å; I156-F185 HydrophobicContact CG1-CE2 4.11Å; I156-F185 HydrophobicContact CG1-CZ 3.93Å; I156-F185 HydrophobicContact CG2-CD2 3.95Å; I156-F185 HydrophobicContact CG2-CE2 3.74Å; I156-F185 HydrophobicContact CG2-CZ 4.41Å
157	L	86.9	Confident	85.2	Confident	3 Å²	3	54 Å²	54	2%	0.016	28%	0.277	C	S	.	.	S	Bend	trans	-82.3	1.2	176.8	-65.6	157.9	0	0	0	113.5	F152 C153 M159 R177 L178	F152-L157 HydrophobicContact CD1-CD1 3.59Å; F152-L157 HydrophobicContact CD1-CG 4.37Å; F152-L157 HydrophobicContact CE1-CD1 3.46Å; F152-L157 VanDerWaalsContact CE1-CD1 3.46Å; F152-L157 HydrophobicContact CE1-CG 4.03Å; F152-L157 HydrophobicContact CZ-CD1 4.48Å; F152-L157 PolarHBondContact O-N 3.38Å; C153-L157 CarbonylContact O-C 3.51Å; C153-L157 WeakPolarHBondContact O-CB 3.5Å; L157-M159 HydrophobicContact CB-CE 3.92Å; L157-M159 HydrophobicContact CB-CG 4.02Å; L157-M159 HydrophobicContact CB-SD 4.48Å; L157-M159 HydrophobicContact CD1-CE 3.81Å; L157-M159 HydrophobicContact CG-CE 4.34Å; L157-M159 PolarHBondContact O-N 3.08Å; L157-R177 HydrophobicContact CD2-CB 3.91Å; L157-R177 WeakPolarHBondContact O-CD 3.45Å; L157-R177 PolarHBondContact O-NH1 3.43Å; L157-L178 HydrophobicContact CD1-CD1 4.49Å; L157-L178 HydrophobicContact CD2-CB 4.04Å; L157-L178 HydrophobicContact CD2-CD1 4.13Å
158	N	85.9	Confident	84.9	Confident	124 Å²	124	53.8 Å²	53.8	66%	0.663	29%	0.285	S	S	*	.			trans	46.1	38	-177.6	-64.4	-47.4	0	0	0	113.5	C153 I156 R177	C153-N158 PolarHBondContact O-N 3.36Å; I156-N158 PolarHBondContact O-N 2.8Å; N158-R177 PolarHBondContact O-NH1 3.18Å; N158-R177 VanDerWaalsContact O-NH1 3.09Å
159	M	87.5	Confident	84.8	Confident	6 Å²	6	50.1 Å²	50.1	3%	0.03	27%	0.268	C	S	.	.			trans	-75.2	140.9	175.2	-63.4	-178.7	-179.8	0	0	110.4	C153 L157 S161 L166 L169 V174	C153-M159 HydrophobicContact CB-CB 4.38Å; C153-M159 HydrophobicContact CB-CG 4.35Å; C153-M159 HydrophobicContact CB-SD 3.58Å; C153-M159 VanDerWaalsContact CB-SD 3.58Å; C153-M159 WeakPolarHBondContact O-CB 3.37Å; C153-M159 WeakPolarHBondContact O-CG 3.43Å; C153-M159 PolarHBondContact O-N 3.06Å; L157-M159 HydrophobicContact CB-CE 3.92Å; L157-M159 HydrophobicContact CB-CG 4.02Å; L157-M159 HydrophobicContact CB-SD 4.48Å; L157-M159 HydrophobicContact CD1-CE 3.81Å; L157-M159 HydrophobicContact CG-CE 4.34Å; L157-M159 PolarHBondContact O-N 3.08Å; M159-S161 PolarHBondContact O-N 3.01Å; M159-L166 HydrophobicContact SD-CD1 4.37Å; M159-L169 HydrophobicContact CE-CD2 4.36Å; M159-L169 HydrophobicContact CG-CD2 3.98Å; M159-L169 HydrophobicContact SD-CD2 4.28Å; M159-V174 HydrophobicContact CE-CB 4.02Å; M159-V174 HydrophobicContact CE-CG1 3.49Å; M159-V174 VanDerWaalsContact CE-CG1 3.49Å; M159-V174 HydrophobicContact CE-CG2 3.73Å
160	P	84.2	Confident	84.8	Confident	46 Å²	46	50.9 Å²	50.9	30%	0.299	27%	0.273	S	S	.	.			trans	-56.6	140.5	174.6	22.8	-31.9	0	0	0	111.1	S162 G165	P160-S162 VanDerWaalsContact C-N 3.34Å; P160-G165 WeakPolarHBondContact CG-O 3.41Å
161	S	76.6	Confident	84.8	Confident	71 Å²	71	48.7 Å²	48.7	50%	0.497	27%	0.265	S	S	.	.	S	Bend	trans	-87.5	-6.7	-179.6	59.8	0	0	0	0	113.4	R150 M159	R150-S161 PolarHBondContact NH2-O 3.22Å; M159-S161 PolarHBondContact O-N 3.01Å
162	S	78.6	Confident	84.9	Confident	66 Å²	66	44.4 Å²	44.4	46%	0.462	26%	0.256	S	S	.	.	S	Bend	trans	-87.4	133.9	172.5	51.7	0	0	0	0	110.6	P160 V164 G165 L166	P160-S162 VanDerWaalsContact C-N 3.34Å; S162-V164 PolarHBondContact O-N 3Å; S162-V164 VanDerWaalsContact O-N 3.13Å; S162-G165 PolarHBondContact O-N 2.82Å; S162-G165 VanDerWaalsContact O-N 3.1Å; S162-L166 PolarHBondContact O-N 3.07Å
163	D	74.2	Confident	85	Confident	51 Å²	51	47.5 Å²	47.5	27%	0.273	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.2	-177.6	-53.3	-32.1	0	0	0	112.5	T61 Y831	T61-D163 WeakPolarHBondContact CB-OD2 3.4Å; T61-D163 PolarHBondContact OG1-OD1 3.13Å; T61-D163 PolarHBondContact OG1-OD2 2.95Å; D163-Y831 PolarHBondContact O-OH 3.38Å
164	V	75.5	Confident	85.1	Confident	111 Å²	111	47.5 Å²	47.5	67%	0.673	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-46	170.3	-179	0	0	0	0	111.8	S162 L166 A167	S162-V164 PolarHBondContact O-N 3Å; S162-V164 VanDerWaalsContact O-N 3.13Å; V164-L166 PolarHBondContact O-N 2.83Å; V164-L166 VanDerWaalsContact O-N 3.17Å; V164-A167 WeakPolarHBondContact O-CA 3.49Å; V164-A167 WeakPolarHBondContact O-CB 3.35Å; V164-A167 PolarHBondContact O-N 2.79Å
165	G	79.2	Confident	85.4	Confident	16 Å²	16	46.2 Å²	46.2	17%	0.165	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.6	-179.9	0	0	0	0	0	113.3	P160 S162 A167	P160-G165 WeakPolarHBondContact CG-O 3.41Å; S162-G165 PolarHBondContact O-N 2.82Å; S162-G165 VanDerWaalsContact O-N 3.1Å; G165-A167 VanDerWaalsContact C-N 3.3Å
166	L	85.6	Confident	85.5	Confident	2 Å²	2	43 Å²	43	1%	0.01	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.1	170.8	-160	65.8	0	0	0	112.6	Y54 M159 S162 V164 L169	Y54-L166 HydrophobicContact CD1-CD2 4.39Å; Y54-L166 HydrophobicContact CE1-CD2 3.89Å; M159-L166 HydrophobicContact SD-CD1 4.37Å; S162-L166 PolarHBondContact O-N 3.07Å; V164-L166 PolarHBondContact O-N 2.83Å; V164-L166 VanDerWaalsContact O-N 3.17Å; L166-L169 HydrophobicContact CD1-CD2 4.27Å
167	A	80.2	Confident	85.7	Confident	22 Å²	22	44.6 Å²	44.6	18%	0.182	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-42.5	170.7	0	0	0	0	0	111.2	V164 G165 L169 Y831 P833 Y834	V164-A167 WeakPolarHBondContact O-CA 3.49Å; V164-A167 WeakPolarHBondContact O-CB 3.35Å; V164-A167 PolarHBondContact O-N 2.79Å; G165-A167 VanDerWaalsContact C-N 3.3Å; A167-L169 PolarHBondContact O-N 3.26Å; A167-Y831 WeakPolarHBondContact CA-OH 3.23Å; A167-Y831 WeakPolarHBondContact CB-OH 3.48Å; A167-Y831 PolarHBondContact N-OH 2.57Å; A167-P833 CarbonylContact O-C 3.59Å; A167-P833 WeakPolarHBondContact O-CB 3.47Å; A167-Y834 PolarHBondContact O-N 3.41Å
168	D	85.8	Confident	85.9	Confident	117 Å²	117	44.6 Å²	44.6	63%	0.626	26%	0.257	S	S	*	.	S	Bend	trans	-78	-6.6	-170.9	-48.5	-39.1	0	0	0	112.5
169	L	89.2	Confident	86	Confident	13 Å²	13	40.5 Å²	40.5	7%	0.068	23%	0.234	C	C	.	.			trans	-92.8	124.9	-177.9	-155.4	73.3	0	0	0	110.1	H55 M159 L166 A167 E173 V174	H55-L169 PolarHBondContact CE1-O 2.81Å; H55-L169 PolarHBondContact NE2-O 2.97Å; H55-L169 VanDerWaalsContact NE2-O 3.14Å; M159-L169 HydrophobicContact CE-CD2 4.36Å; M159-L169 HydrophobicContact CG-CD2 3.98Å; M159-L169 HydrophobicContact SD-CD2 4.28Å; L166-L169 HydrophobicContact CD1-CD2 4.27Å; A167-L169 PolarHBondContact O-N 3.26Å; L169-E173 HydrophobicContact CD1-CB 4.32Å; L169-E173 HydrophobicContact CD1-CG 3.52Å; L169-E173 HydrophobicContact CG-CG 4.19Å; L169-V174 HydrophobicContact CD2-CG2 3.64Å; L169-V174 HydrophobicContact CG-CG2 4.12Å
170	T	90.4	Very high	85.9	Confident	22 Å²	22	46 Å²	46	14%	0.135	26%	0.26	C	S	.	.			trans	-83.5	156.1	174	59.1	0	0	0	0	111	S172 E173 V174	T170-S172 VanDerWaalsContact C-N 3.25Å; T170-S172 PolarHBondContact O-N 3.32Å; T170-S172 PolarHBondContact OG1-OG 3.24Å; T170-S172 VanDerWaalsContact OG1-OG 3.08Å; T170-E173 PolarHBondContact O-N 2.95Å; T170-E173 WeakPolarHBondContact OG1-CB 3.3Å; T170-E173 PolarHBondContact OG1-N 3.3Å; T170-V174 WeakPolarHBondContact O-CG2 3.35Å; T170-V174 PolarHBondContact O-N 3.01Å; T170-V174 VanDerWaalsContact O-N 3.11Å
171	W	92.6	Very high	85.8	Confident	3 Å²	3	44.3 Å²	44.3	1%	0.011	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-32	174.9	175.7	-102.7	0	0	0	112.7	I51 Y52 E173 V174 Q175 I199 I203 L339 H341	I51-W171 HydrophobicContact CG2-CH2 4.49Å; I51-W171 HydrophobicContact CG2-CZ3 4.38Å; Y52-W171 AromaticContact CD2-CD2 3.9Å; Y52-W171 HydrophobicContact CD2-CD2 3.9Å; Y52-W171 AromaticContact CD2-CE2 3.99Å; Y52-W171 AromaticContact CD2-CE3 3.83Å; Y52-W171 HydrophobicContact CD2-CE3 3.83Å; Y52-W171 AromaticContact CD2-CH2 3.95Å; Y52-W171 HydrophobicContact CD2-CH2 3.95Å; Y52-W171 HydrophobicContact CD2-CZ2 4.03Å; Y52-W171 AromaticContact CD2-CZ3 3.85Å; Y52-W171 HydrophobicContact CD2-CZ3 3.85Å; Y52-W171 HydrophobicContact CE2-CD2 4.31Å; Y52-W171 HydrophobicContact CE2-CE3 4.5Å; Y52-W171 HydrophobicContact CG-CH2 4.43Å; Y52-W171 HydrophobicContact CG-CZ3 4.4Å; W171-E173 PolarHBondContact O-N 2.97Å; W171-V174 HydrophobicContact CE3-CB 3.92Å; W171-V174 HydrophobicContact CE3-CG1 3.8Å; W171-V174 HydrophobicContact CE3-CG2 4.36Å; W171-V174 HydrophobicContact CH2-CG1 4.08Å; W171-V174 HydrophobicContact CZ3-CB 4.14Å; W171-V174 HydrophobicContact CZ3-CG1 3.47Å; W171-V174 VanDerWaalsContact CZ3-CG1 3.47Å; W171-V174 WeakPolarHBondContact O-CB 3.29Å; W171-V174 PolarHBondContact O-N 3.07Å; W171-Q175 VanDerWaalsContact O-CB 3.28Å; W171-Q175 WeakPolarHBondContact O-CB 3.18Å; W171-Q175 PolarHBondContact O-N 3.3Å; W171-I199 HydrophobicContact CZ2-CG2 4.35Å; W171-I203 HydrophobicContact CH2-CD1 4.15Å; W171-I203 HydrophobicContact CZ2-CD1 3.82Å; W171-L339 VanDerWaalsContact CD1-CD1 3.49Å; W171-L339 HydrophobicContact CG-CD1 4.29Å; W171-L339 VanDerWaalsContact NE1-CD1 3.28Å; W171-H341 AromaticContact CG-CE1 3.92Å
172	S	91	Very high	85.9	Confident	45 Å²	45	41.7 Å²	41.7	32%	0.315	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-40.1	174.7	48.5	0	0	0	0	112.4	T170 Q175 Q176	T170-S172 VanDerWaalsContact C-N 3.25Å; T170-S172 PolarHBondContact O-N 3.32Å; T170-S172 PolarHBondContact OG1-OG 3.24Å; T170-S172 VanDerWaalsContact OG1-OG 3.08Å; S172-Q175 PolarHBondContact O-N 3.14Å; S172-Q176 WeakPolarHBondContact O-CG 3.44Å; S172-Q176 PolarHBondContact O-N 3.12Å
173	E	91.1	Very high	85.7	Confident	64 Å²	64	44 Å²	44	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-42.6	173.8	177.1	64.3	-171.6	0	0	111.5	L169 T170 W171 Q175 Q176 R177	L169-E173 HydrophobicContact CD1-CB 4.32Å; L169-E173 HydrophobicContact CD1-CG 3.52Å; L169-E173 HydrophobicContact CG-CG 4.19Å; T170-E173 PolarHBondContact O-N 2.95Å; T170-E173 WeakPolarHBondContact OG1-CB 3.3Å; T170-E173 PolarHBondContact OG1-N 3.3Å; W171-E173 PolarHBondContact O-N 2.97Å; E173-Q175 VanDerWaalsContact C-N 3.31Å; E173-Q175 PolarHBondContact O-N 3.05Å; E173-Q176 PolarHBondContact O-N 2.85Å; E173-R177 VanDerWaalsContact O-CG 3.32Å; E173-R177 WeakPolarHBondContact O-CG 3.32Å; E173-R177 PolarHBondContact O-N 3.35Å; E173-R177 IonicContact OE1-CZ 3.8Å; E173-R177 IonicContact OE1-NE 2.69Å; E173-R177 PolarHBondContact OE1-NE 3.19Å; E173-R177 IonicContact OE1-NH2 2.66Å; E173-R177 PolarHBondContact OE1-NH2 3.04Å
174	V	92.6	Very high	85.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.7	-47.6	171.7	172.5	0	0	0	0	111.6	I51 H55 M159 L169 T170 W171 R177 L178	I51-V174 HydrophobicContact CG2-CG1 4.24Å; H55-V174 WeakPolarHBondContact CD2-CG2 3.35Å; H55-V174 WeakPolarHBondContact NE2-CG2 3.29Å; M159-V174 HydrophobicContact CE-CB 4.02Å; M159-V174 HydrophobicContact CE-CG1 3.49Å; M159-V174 VanDerWaalsContact CE-CG1 3.49Å; M159-V174 HydrophobicContact CE-CG2 3.73Å; L169-V174 HydrophobicContact CD2-CG2 3.64Å; L169-V174 HydrophobicContact CG-CG2 4.12Å; T170-V174 WeakPolarHBondContact O-CG2 3.35Å; T170-V174 PolarHBondContact O-N 3.01Å; T170-V174 VanDerWaalsContact O-N 3.11Å; W171-V174 HydrophobicContact CE3-CB 3.92Å; W171-V174 HydrophobicContact CE3-CG1 3.8Å; W171-V174 HydrophobicContact CE3-CG2 4.36Å; W171-V174 HydrophobicContact CH2-CG1 4.08Å; W171-V174 HydrophobicContact CZ3-CB 4.14Å; W171-V174 HydrophobicContact CZ3-CG1 3.47Å; W171-V174 VanDerWaalsContact CZ3-CG1 3.47Å; W171-V174 WeakPolarHBondContact O-CB 3.29Å; W171-V174 PolarHBondContact O-N 3.07Å; V174-R177 PolarHBondContact O-N 2.66Å; V174-L178 WeakPolarHBondContact O-CB 3.27Å; V174-L178 PolarHBondContact O-N 3.23Å
175	Q	92.9	Very high	85.1	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.028	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-40.2	-176.8	-178	-179.6	-49.9	0	0	112	W171 S172 E173 L178 L179 E196 I199 N609	W171-Q175 VanDerWaalsContact O-CB 3.28Å; W171-Q175 WeakPolarHBondContact O-CB 3.18Å; W171-Q175 PolarHBondContact O-N 3.3Å; S172-Q175 PolarHBondContact O-N 3.14Å; E173-Q175 VanDerWaalsContact C-N 3.31Å; E173-Q175 PolarHBondContact O-N 3.05Å; Q175-L178 WeakPolarHBondContact O-CB 3.45Å; Q175-L178 PolarHBondContact O-N 3.14Å; Q175-L179 HydrophobicContact CG-CD1 4.34Å; Q175-L179 WeakPolarHBondContact O-CG 3.49Å; Q175-L179 PolarHBondContact O-N 3.42Å; Q175-E196 VanDerWaalsContact NE2-CG 3.27Å; Q175-I199 HydrophobicContact CG-CD1 4.19Å; Q175-N609 PolarHBondContact NE2-OD1 2.93Å
176	Q	90.2	Very high	84.7	Confident	88 Å²	88	45.1 Å²	45.1	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-44.8	174.4	-75.1	-174.7	10.4	0	0	111.7	S172 E173 L178 L179 Q180	S172-Q176 WeakPolarHBondContact O-CG 3.44Å; S172-Q176 PolarHBondContact O-N 3.12Å; E173-Q176 PolarHBondContact O-N 2.85Å; Q176-L178 VanDerWaalsContact C-N 3.28Å; Q176-L178 PolarHBondContact O-N 3.32Å; Q176-L179 PolarHBondContact O-N 3.47Å; Q176-Q180 WeakPolarHBondContact O-CB 3.47Å; Q176-Q180 VanDerWaalsContact O-CG 3.23Å; Q176-Q180 WeakPolarHBondContact O-CG 3.48Å; Q176-Q180 PolarHBondContact O-N 2.95Å
177	R	90.6	Very high	83.8	Confident	60 Å²	60	45.1 Å²	45.1	23%	0.226	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-36.3	174.3	-67.8	176.5	-172.1	-156.6	5.6	112.5	L157 N158 E173 V174 Q180 S181	L157-R177 HydrophobicContact CD2-CB 3.91Å; L157-R177 WeakPolarHBondContact O-CD 3.45Å; L157-R177 PolarHBondContact O-NH1 3.43Å; N158-R177 PolarHBondContact O-NH1 3.18Å; N158-R177 VanDerWaalsContact O-NH1 3.09Å; E173-R177 VanDerWaalsContact O-CG 3.32Å; E173-R177 WeakPolarHBondContact O-CG 3.32Å; E173-R177 PolarHBondContact O-N 3.35Å; E173-R177 IonicContact OE1-CZ 3.8Å; E173-R177 IonicContact OE1-NE 2.69Å; E173-R177 PolarHBondContact OE1-NE 3.19Å; E173-R177 IonicContact OE1-NH2 2.66Å; E173-R177 PolarHBondContact OE1-NH2 3.04Å; V174-R177 PolarHBondContact O-N 2.66Å; R177-Q180 PolarHBondContact O-N 3.42Å; R177-S181 WeakPolarHBondContact O-CB 3.49Å; R177-S181 PolarHBondContact O-N 3.38Å; R177-S181 PolarHBondContact O-OG 2.83Å
178	L	89.6	Confident	82.9	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-47.4	176.7	-173.2	62.3	0	0	0	111.5	F48 I51 F152 L157 V174 Q175 Q176 S181 Q182 F187 I199	F48-L178 HydrophobicContact CD1-CD2 3.75Å; F48-L178 HydrophobicContact CE1-CD1 4.13Å; F48-L178 HydrophobicContact CE1-CD2 3.87Å; F48-L178 HydrophobicContact CE1-CG 4.3Å; I51-L178 HydrophobicContact CD1-CD1 4.34Å; F152-L178 HydrophobicContact CE1-CD1 4.08Å; F152-L178 HydrophobicContact CZ-CD1 4.43Å; L157-L178 HydrophobicContact CD1-CD1 4.49Å; L157-L178 HydrophobicContact CD2-CB 4.04Å; L157-L178 HydrophobicContact CD2-CD1 4.13Å; V174-L178 WeakPolarHBondContact O-CB 3.27Å; V174-L178 PolarHBondContact O-N 3.23Å; Q175-L178 WeakPolarHBondContact O-CB 3.45Å; Q175-L178 PolarHBondContact O-N 3.14Å; Q176-L178 VanDerWaalsContact C-N 3.28Å; Q176-L178 PolarHBondContact O-N 3.32Å; L178-S181 PolarHBondContact O-N 3.4Å; L178-S181 PolarHBondContact O-OG 3.28Å; L178-Q182 PolarHBondContact O-N 3.04Å; L178-F187 HydrophobicContact CD1-CE2 4.41Å; L178-I199 HydrophobicContact CD2-CD1 4.17Å
179	L	87.7	Confident	81.6	Confident	37 Å²	37	41.5 Å²	41.5	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-38.8	175.4	-70	167.2	0	0	0	112.3	Q175 Q176 Q182 L194 E196 I199	Q175-L179 HydrophobicContact CG-CD1 4.34Å; Q175-L179 WeakPolarHBondContact O-CG 3.49Å; Q175-L179 PolarHBondContact O-N 3.42Å; Q176-L179 PolarHBondContact O-N 3.47Å; L179-Q182 WeakPolarHBondContact O-CB 3.44Å; L179-Q182 PolarHBondContact O-N 3.17Å; L179-L194 HydrophobicContact CD2-CB 4.35Å; L179-L194 WeakPolarHBondContact CD2-O 3.47Å; L179-E196 HydrophobicContact CD1-CG 4.02Å; L179-I199 HydrophobicContact CD1-CD1 4.36Å; L179-I199 HydrophobicContact CD2-CD1 3.7Å; L179-I199 HydrophobicContact CG-CD1 3.86Å
180	Q	85.9	Confident	80.2	Confident	123 Å²	123	50.6 Å²	50.6	58%	0.575	26%	0.256	S	S	*	.	H	α-helix	trans	-63.9	-44.8	173.9	-71.4	166.3	13.8	0	0	111.8	Q176 R177 Q182 C183	Q176-Q180 WeakPolarHBondContact O-CB 3.47Å; Q176-Q180 VanDerWaalsContact O-CG 3.23Å; Q176-Q180 WeakPolarHBondContact O-CG 3.48Å; Q176-Q180 PolarHBondContact O-N 2.95Å; R177-Q180 PolarHBondContact O-N 3.42Å; Q180-Q182 PolarHBondContact O-N 3.07Å; Q180-Q182 VanDerWaalsContact O-N 3.15Å; Q180-C183 WeakPolarHBondContact O-CB 3.35Å; Q180-C183 PolarHBondContact O-N 2.95Å; Q180-C183 VanDerWaalsContact O-N 3.11Å
181	S	82.7	Confident	79.1	Confident	10 Å²	10	51.9 Å²	51.9	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-17.6	-178.5	71.6	0	0	0	0	114	R177 L178 C183 D184 F185 F187	R177-S181 WeakPolarHBondContact O-CB 3.49Å; R177-S181 PolarHBondContact O-N 3.38Å; R177-S181 PolarHBondContact O-OG 2.83Å; L178-S181 PolarHBondContact O-N 3.4Å; L178-S181 PolarHBondContact O-OG 3.28Å; S181-C183 PolarHBondContact O-N 3.48Å; S181-D184 PolarHBondContact O-N 3.04Å; S181-D184 VanDerWaalsContact O-N 3.09Å; S181-F185 PolarHBondContact O-N 3.44Å; S181-F187 WeakPolarHBondContact OG-CZ 3.44Å
182	Q	79.5	Confident	77.8	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.075	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.7	174.5	-177.8	164.2	-8.8	0	0	113.1	L178 L179 Q180 D184 F185 F187 K191 V192	L178-Q182 PolarHBondContact O-N 3.04Å; L179-Q182 WeakPolarHBondContact O-CB 3.44Å; L179-Q182 PolarHBondContact O-N 3.17Å; Q180-Q182 PolarHBondContact O-N 3.07Å; Q180-Q182 VanDerWaalsContact O-N 3.15Å; Q182-D184 PolarHBondContact O-N 3.46Å; Q182-F185 WeakPolarHBondContact CA-O 3.16Å; Q182-F187 HydrophobicContact CB-CD2 4.11Å; Q182-F187 HydrophobicContact CB-CE2 3.99Å; Q182-F187 HydrophobicContact CG-CD2 4.31Å; Q182-K191 PolarHBondContact NE2-O 3.06Å; Q182-V192 VanDerWaalsContact NE2-C 3.35Å; Q182-V192 PolarHBondContact NE2-O 2.83Å
183	C	72.5	Confident	77	Confident	114 Å²	114	60 Å²	60	77%	0.77	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.4	171.1	-64.2	0	0	0	0	112.2	Q180 S181	Q180-C183 WeakPolarHBondContact O-CB 3.35Å; Q180-C183 PolarHBondContact O-N 2.95Å; Q180-C183 VanDerWaalsContact O-N 3.11Å; S181-C183 PolarHBondContact O-N 3.48Å
184	D	71	Confident	76.6	Confident	102 Å²	102	57.8 Å²	57.8	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-30.3	-179.5	-75.4	-51.3	0	0	0	113.5	K35 S181 Q182	K35-D184 WeakPolarHBondContact CE-O 3.29Å; K35-D184 PolarHBondContact NZ-O 2.94Å; S181-D184 PolarHBondContact O-N 3.04Å; S181-D184 VanDerWaalsContact O-N 3.09Å; Q182-D184 PolarHBondContact O-N 3.46Å
185	F	67.9	Low	76.3	Confident	25 Å²	25	60.1 Å²	60.1	11%	0.11	31%	0.306	C	S	.	.	S	Bend	trans	-133.8	119.3	-173.9	-59.8	-92.6	0	0	0	110.5	K35 I156 S181 Q182 F187	K35-F185 HydrophobicContact CB-CE1 4.43Å; K35-F185 HydrophobicContact CG-CD1 4.13Å; K35-F185 HydrophobicContact CG-CE1 3.79Å; I156-F185 HydrophobicContact CD1-CE1 4.04Å; I156-F185 HydrophobicContact CD1-CE2 4.31Å; I156-F185 HydrophobicContact CD1-CZ 3.94Å; I156-F185 HydrophobicContact CG1-CE2 4.11Å; I156-F185 HydrophobicContact CG1-CZ 3.93Å; I156-F185 HydrophobicContact CG2-CD2 3.95Å; I156-F185 HydrophobicContact CG2-CE2 3.74Å; I156-F185 HydrophobicContact CG2-CZ 4.41Å; S181-F185 PolarHBondContact O-N 3.44Å; Q182-F185 WeakPolarHBondContact CA-O 3.16Å; F185-F187 HydrophobicContact CB-CD1 4.16Å; F185-F187 HydrophobicContact CB-CE1 3.5Å; F185-F187 VanDerWaalsContact CB-CE1 3.5Å; F185-F187 HydrophobicContact CB-CZ 3.83Å; F185-F187 HydrophobicContact CG-CE1 4.39Å; F185-F187 PolarHBondContact O-N 3.47Å
186	Q	69.1	Low	76.3	Confident	74 Å²	74	60.7 Å²	60.7	35%	0.346	31%	0.309	S	S	.	.			trans	-86.8	78.5	-174.2	-163.7	-175.8	-17.5	0	0	111.3	D39 H40 C188	D39-Q186 PolarHBondContact OD1-N 3.44Å; H40-Q186 PolarHBondContact ND1-O 3.39Å; Q186-C188 WeakPolarHBondContact CG-O 3.33Å; Q186-C188 PolarHBondContact NE2-O 2.84Å; Q186-C188 PolarHBondContact O-N 2.89Å
187	F	68.2	Low	76.4	Confident	3 Å²	3	57.2 Å²	57.2	1%	0.013	29%	0.293	C	S	.	.			trans	-54.5	-36.6	179.6	-49.6	-51.4	0	0	0	113	I41 L44 F152 L178 S181 Q182 F185	I41-F187 HydrophobicContact CD1-CD1 4.33Å; L44-F187 HydrophobicContact CD2-CB 3.95Å; F152-F187 AromaticContact CE2-CE1 3.76Å; F152-F187 HydrophobicContact CE2-CE1 3.76Å; F152-F187 HydrophobicContact CE2-CZ 4.16Å; F152-F187 AromaticContact CZ-CE1 3.63Å; F152-F187 HydrophobicContact CZ-CE1 3.63Å; F152-F187 AromaticContact CZ-CZ 3.65Å; F152-F187 HydrophobicContact CZ-CZ 3.65Å; L178-F187 HydrophobicContact CD1-CE2 4.41Å; S181-F187 WeakPolarHBondContact OG-CZ 3.44Å; Q182-F187 HydrophobicContact CB-CD2 4.11Å; Q182-F187 HydrophobicContact CB-CE2 3.99Å; Q182-F187 HydrophobicContact CG-CD2 4.31Å; F185-F187 HydrophobicContact CB-CD1 4.16Å; F185-F187 HydrophobicContact CB-CE1 3.5Å; F185-F187 VanDerWaalsContact CB-CE1 3.5Å; F185-F187 HydrophobicContact CB-CZ 3.83Å; F185-F187 HydrophobicContact CG-CE1 4.39Å; F185-F187 PolarHBondContact O-N 3.47Å
188	C	60.6	Low	76.5	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.034	28%	0.283	C	S	.	.			trans	-117.2	116.2	179.8	-168.3	0	0	0	0	112.1	L44 Q186 Y190	L44-C188 HydrophobicContact CD1-CB 3.87Å; Q186-C188 WeakPolarHBondContact CG-O 3.33Å; Q186-C188 PolarHBondContact NE2-O 2.84Å; Q186-C188 PolarHBondContact O-N 2.89Å; C188-Y190 PolarHBondContact O-N 2.83Å
189	S	58.3	Low	76.6	Confident	58 Å²	58	54.5 Å²	54.5	41%	0.406	28%	0.283	S	S	.	.	S	Bend	trans	-62.8	-24.8	176.9	-38.6	0	0	0	0	113.5	H40	H40-S189 PolarHBondContact CE1-OG 3.03Å; H40-S189 PolarHBondContact ND1-OG 3.17Å; H40-S189 VanDerWaalsContact ND1-OG 3.13Å
190	Y	60	Low	77	Confident	204 Å²	204	52.8 Å²	52.8	80%	0.8	27%	0.274	S	S	*	.	S	Bend	trans	-102.3	-23.6	-168.9	-60.1	-78.2	0	0	0	115.2	C188	C188-Y190 PolarHBondContact O-N 2.83Å
191	K	67.9	Low	77.4	Confident	49 Å²	49	47.1 Å²	47.1	21%	0.213	25%	0.247	C	C	.	.			trans	-131.2	105	179.1	-170	178.1	175.6	-176.8	0	108.5	Q182 N193 L194 D195 D198	Q182-K191 PolarHBondContact NE2-O 3.06Å; K191-N193 VanDerWaalsContact C-N 3.32Å; K191-N193 VanDerWaalsContact CE-O 3.28Å; K191-N193 WeakPolarHBondContact CE-O 3.46Å; K191-N193 WeakPolarHBondContact CG-O 3.35Å; K191-N193 PolarHBondContact O-N 2.62Å; K191-L194 HydrophobicContact CD-CD2 4.35Å; K191-D195 IonicContact NZ-OD2 2.73Å; K191-D195 PolarHBondContact NZ-OD2 3.46Å; K191-D198 WeakPolarHBondContact CD-OD2 3.43Å; K191-D198 VanDerWaalsContact CE-OD2 3.27Å; K191-D198 WeakPolarHBondContact CE-OD2 3.44Å; K191-D198 IonicContact NZ-OD1 2.73Å; K191-D198 PolarHBondContact NZ-OD1 2.72Å; K191-D198 IonicContact NZ-OD2 2.75Å; K191-D198 PolarHBondContact NZ-OD2 2.77Å
192	V	64.3	Low	77.8	Confident	99 Å²	99	47.2 Å²	47.2	60%	0.6	25%	0.246	S	C	*	.	S	Bend	trans	-63	-37.4	-169.5	-176	0	0	0	0	112.2	Q182	Q182-V192 VanDerWaalsContact NE2-C 3.35Å; Q182-V192 PolarHBondContact NE2-O 2.83Å
193	N	74.3	Confident	78.6	Confident	120 Å²	120	47.7 Å²	47.7	64%	0.642	25%	0.249	S	C	*	.	S	Bend	trans	-119.4	116.9	173.8	-57.3	-11.6	0	0	0	108.3	K191	K191-N193 VanDerWaalsContact C-N 3.32Å; K191-N193 VanDerWaalsContact CE-O 3.28Å; K191-N193 WeakPolarHBondContact CE-O 3.46Å; K191-N193 WeakPolarHBondContact CG-O 3.35Å; K191-N193 PolarHBondContact O-N 2.62Å
194	L	82.4	Confident	79.7	Confident	16 Å²	16	42.6 Å²	42.6	8%	0.084	21%	0.214	C	C	.	.			trans	-74.8	156.7	165.4	-63.7	170.2	0	0	0	109.2	F48 L179 K191 D198	F48-L194 HydrophobicContact CE2-CD1 4Å; F48-L194 HydrophobicContact CZ-CD1 3.71Å; L179-L194 HydrophobicContact CD2-CB 4.35Å; L179-L194 WeakPolarHBondContact CD2-O 3.47Å; K191-L194 HydrophobicContact CD-CD2 4.35Å; L194-D198 WeakPolarHBondContact CA-OD2 3.47Å; L194-D198 HydrophobicContact CB-CB 4.37Å; L194-D198 HydrophobicContact CD2-CB 4.01Å; L194-D198 VanDerWaalsContact CD2-OD2 3.28Å; L194-D198 WeakPolarHBondContact CD2-OD2 3.32Å
195	D	87.7	Confident	80.8	Confident	49 Å²	49	38 Å²	38	26%	0.262	19%	0.189	S	C	.	.			trans	-111.7	170.6	168.9	55.7	62	0	0	0	111.3	K191 L197 D198 I199	K191-D195 IonicContact NZ-OD2 2.73Å; K191-D195 PolarHBondContact NZ-OD2 3.46Å; D195-L197 PolarHBondContact O-N 3.22Å; D195-L197 WeakPolarHBondContact OD1-CA 3.17Å; D195-L197 WeakPolarHBondContact OD1-CB 3.46Å; D195-L197 PolarHBondContact OD1-N 3.08Å; D195-L197 VanDerWaalsContact OD1-N 3.12Å; D195-D198 PolarHBondContact N-OD2 2.78Å; D195-D198 WeakPolarHBondContact O-CB 3.4Å; D195-D198 PolarHBondContact O-N 3.45Å; D195-D198 PolarHBondContact OD1-N 3.42Å; D195-I199 PolarHBondContact O-N 3.26Å
196	E	91.4	Very high	82	Confident	19 Å²	19	38.2 Å²	38.2	9%	0.089	19%	0.19	C	C	.	.	H	α-helix	trans	-55.7	-41.9	177.5	-63	85.4	165.6	0	0	111.1	Q175 L179 D198 I199 Y200 F605 N609 S611 W612	Q175-E196 VanDerWaalsContact NE2-CG 3.27Å; L179-E196 HydrophobicContact CD1-CG 4.02Å; E196-D198 VanDerWaalsContact C-N 3.34Å; E196-D198 PolarHBondContact O-N 3.02Å; E196-I199 PolarHBondContact O-N 3.01Å; E196-I199 VanDerWaalsContact O-N 3.15Å; E196-Y200 VanDerWaalsContact O-CD2 3.26Å; E196-Y200 WeakPolarHBondContact O-CD2 3.49Å; E196-Y200 PolarHBondContact O-N 3.1Å; E196-F605 HydrophobicContact CB-CZ 4.32Å; E196-N609 HydrophobicContact CB-CB 4.46Å; E196-N609 HydrophobicContact CG-CB 4.42Å; E196-S611 VanDerWaalsContact OE1-CB 3.25Å; E196-S611 WeakPolarHBondContact OE1-CB 3.42Å; E196-S611 PolarHBondContact OE1-OG 2.84Å; E196-W612 HydrophobicContact CB-CB 4.18Å; E196-W612 HydrophobicContact CB-CG 4.4Å; E196-W612 HydrophobicContact CG-CB 4.22Å; E196-W612 PolarHBondContact OE1-N 3.22Å; E196-W612 WeakPolarHBondContact OE2-CA 3.39Å
197	L	93.4	Very high	83.2	Confident	14 Å²	14	37.7 Å²	37.7	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-67.3	-32.1	-177.2	179.7	62.1	0	0	0	112.3	D195 N201 N337 L517 F605 W612	D195-L197 PolarHBondContact O-N 3.22Å; D195-L197 WeakPolarHBondContact OD1-CA 3.17Å; D195-L197 WeakPolarHBondContact OD1-CB 3.46Å; D195-L197 PolarHBondContact OD1-N 3.08Å; D195-L197 VanDerWaalsContact OD1-N 3.12Å; L197-N201 VanDerWaalsContact CD1-ND2 3.26Å; L197-N201 WeakPolarHBondContact CD1-ND2 3.49Å; L197-N201 WeakPolarHBondContact CG-ND2 3.33Å; L197-N201 VanDerWaalsContact O-CB 3.26Å; L197-N201 WeakPolarHBondContact O-CB 3.29Å; L197-N201 PolarHBondContact O-N 3.18Å; L197-N201 PolarHBondContact O-ND2 3.45Å; L197-N337 WeakPolarHBondContact CD1-ND2 3.14Å; L197-L517 HydrophobicContact CD1-CD1 4.46Å; L197-F605 HydrophobicContact CB-CE1 4.08Å; L197-F605 HydrophobicContact CB-CZ 4.14Å; L197-F605 HydrophobicContact CD1-CE1 4.13Å; L197-F605 HydrophobicContact CD1-CZ 4.11Å; L197-W612 HydrophobicContact CB-CZ2 4.33Å; L197-W612 HydrophobicContact CD2-CH2 4.44Å; L197-W612 HydrophobicContact CD2-CZ2 3.59Å; L197-W612 HydrophobicContact CG-CZ2 4.49Å
198	D	91.3	Very high	84.6	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.032	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-49.3	169.3	-65.2	-38.2	0	0	0	111.3	K191 L194 D195 E196 Y200 N201 R202 V508	K191-D198 WeakPolarHBondContact CD-OD2 3.43Å; K191-D198 VanDerWaalsContact CE-OD2 3.27Å; K191-D198 WeakPolarHBondContact CE-OD2 3.44Å; K191-D198 IonicContact NZ-OD1 2.73Å; K191-D198 PolarHBondContact NZ-OD1 2.72Å; K191-D198 IonicContact NZ-OD2 2.75Å; K191-D198 PolarHBondContact NZ-OD2 2.77Å; L194-D198 WeakPolarHBondContact CA-OD2 3.47Å; L194-D198 HydrophobicContact CB-CB 4.37Å; L194-D198 HydrophobicContact CD2-CB 4.01Å; L194-D198 VanDerWaalsContact CD2-OD2 3.28Å; L194-D198 WeakPolarHBondContact CD2-OD2 3.32Å; D195-D198 PolarHBondContact N-OD2 2.78Å; D195-D198 WeakPolarHBondContact O-CB 3.4Å; D195-D198 PolarHBondContact O-N 3.45Å; D195-D198 PolarHBondContact OD1-N 3.42Å; E196-D198 VanDerWaalsContact C-N 3.34Å; E196-D198 PolarHBondContact O-N 3.02Å; D198-Y200 PolarHBondContact O-N 3.46Å; D198-N201 PolarHBondContact O-N 2.97Å; D198-R202 WeakPolarHBondContact O-CB 3.39Å; D198-R202 VanDerWaalsContact O-CG 3.24Å; D198-R202 WeakPolarHBondContact O-CG 3.49Å; D198-R202 PolarHBondContact O-N 3.36Å; D198-V508 HydrophobicContact CB-CG2 4.08Å; D198-V508 WeakPolarHBondContact OD1-CG2 3.27Å
199	I	93	Very high	86.2	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-46.4	-174.8	-65.1	169.1	0	0	0	109.8	W171 Q175 L178 L179 D195 E196 R202 I203	W171-I199 HydrophobicContact CZ2-CG2 4.35Å; Q175-I199 HydrophobicContact CG-CD1 4.19Å; L178-I199 HydrophobicContact CD2-CD1 4.17Å; L179-I199 HydrophobicContact CD1-CD1 4.36Å; L179-I199 HydrophobicContact CD2-CD1 3.7Å; L179-I199 HydrophobicContact CG-CD1 3.86Å; D195-I199 PolarHBondContact O-N 3.26Å; E196-I199 PolarHBondContact O-N 3.01Å; E196-I199 VanDerWaalsContact O-N 3.15Å; I199-R202 PolarHBondContact O-N 3.49Å; I199-I203 HydrophobicContact CG2-CD1 3.74Å; I199-I203 VanDerWaalsContact O-CG1 3.31Å; I199-I203 WeakPolarHBondContact O-CG1 3.36Å; I199-I203 PolarHBondContact O-N 2.67Å
200	Y	95.5	Very high	88	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-66.1	-44.1	176.1	-78	-115.1	0	0	0	111.9	E196 D198 R202 I203 L204 N337 L339 F605 N609	E196-Y200 VanDerWaalsContact O-CD2 3.26Å; E196-Y200 WeakPolarHBondContact O-CD2 3.49Å; E196-Y200 PolarHBondContact O-N 3.1Å; D198-Y200 PolarHBondContact O-N 3.46Å; Y200-R202 PolarHBondContact O-N 3.05Å; Y200-I203 PolarHBondContact O-N 2.87Å; Y200-L204 HydrophobicContact CD1-CD1 4.04Å; Y200-L204 VanDerWaalsContact O-CB 3.26Å; Y200-L204 WeakPolarHBondContact O-CB 3.43Å; Y200-L204 PolarHBondContact O-N 2.83Å; Y200-N337 HydrophobicContact CD1-CB 4.31Å; Y200-N337 WeakPolarHBondContact CD1-O 3.34Å; Y200-N337 VanDerWaalsContact CE1-O 3.31Å; Y200-N337 WeakPolarHBondContact CE1-O 3.45Å; Y200-L339 HydrophobicContact CD1-CD1 3.89Å; Y200-L339 HydrophobicContact CD1-CD2 4.22Å; Y200-L339 HydrophobicContact CD1-CG 3.68Å; Y200-L339 HydrophobicContact CE1-CD1 3.38Å; Y200-L339 HydrophobicContact CE1-CD2 4.47Å; Y200-L339 HydrophobicContact CE1-CG 3.49Å; Y200-L339 VanDerWaalsContact CE1-CG 3.49Å; Y200-L339 HydrophobicContact CE2-CD1 4.36Å; Y200-F605 HydrophobicContact CD1-CD2 4.4Å; Y200-F605 AromaticContact CD1-CE2 3.73Å; Y200-F605 HydrophobicContact CD1-CE2 3.73Å; Y200-F605 AromaticContact CD2-CE2 3.75Å; Y200-F605 HydrophobicContact CD2-CE2 3.75Å; Y200-F605 HydrophobicContact CD2-CZ 4.08Å; Y200-F605 HydrophobicContact CE1-CD2 4.38Å; Y200-F605 AromaticContact CE1-CE2 3.86Å; Y200-F605 HydrophobicContact CE1-CE2 3.86Å; Y200-F605 AromaticContact CE2-CE2 3.86Å; Y200-F605 HydrophobicContact CE2-CE2 3.86Å; Y200-F605 HydrophobicContact CE2-CZ 4.27Å; Y200-F605 AromaticContact CG-CE2 3.64Å; Y200-F605 HydrophobicContact CG-CE2 3.64Å; Y200-F605 HydrophobicContact CG-CZ 4.29Å; Y200-F605 AromaticContact CZ-CE2 3.91Å; Y200-N609 WeakPolarHBondContact CE2-OD1 3.44Å; Y200-N609 PolarHBondContact OH-ND2 3.19Å; Y200-N609 PolarHBondContact OH-OD1 2.84Å
201	N	94.2	Very high	89.7	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-31.7	178.5	-86.9	-57	0	0	0	112.8	L197 D198 R205 N337 V511 A515 Q516	L197-N201 VanDerWaalsContact CD1-ND2 3.26Å; L197-N201 WeakPolarHBondContact CD1-ND2 3.49Å; L197-N201 WeakPolarHBondContact CG-ND2 3.33Å; L197-N201 VanDerWaalsContact O-CB 3.26Å; L197-N201 WeakPolarHBondContact O-CB 3.29Å; L197-N201 PolarHBondContact O-N 3.18Å; L197-N201 PolarHBondContact O-ND2 3.45Å; D198-N201 PolarHBondContact O-N 2.97Å; N201-R205 VanDerWaalsContact O-CA 3.24Å; N201-R205 WeakPolarHBondContact O-CA 3.42Å; N201-R205 WeakPolarHBondContact O-CB 3.49Å; N201-R205 PolarHBondContact O-N 3.47Å; N201-N337 PolarHBondContact OD1-OD1 2.8Å; N201-V511 HydrophobicContact CB-CG1 4.16Å; N201-V511 HydrophobicContact CB-CG2 4.4Å; N201-V511 WeakPolarHBondContact OD1-CG1 3.39Å; N201-A515 PolarHBondContact ND2-O 3.26Å; N201-A515 WeakPolarHBondContact OD1-CB 3.24Å; N201-A515 PolarHBondContact OD1-O 2.79Å; N201-Q516 PolarHBondContact ND2-NE2 3.34Å
202	R	92.6	Very high	90.9	Very high	13 Å²	13	22.8 Å²	22.8	5%	0.049	12%	0.119	C	C	.	.	H	α-helix	trans	-72.9	-46.6	173.6	-70.6	-178.8	-172.7	-78.3	7.4	112.9	D45 F48 D198 I199 Y200 L204 G507 V508	D45-R202 VanDerWaalsContact OD1-CG 3.31Å; D45-R202 WeakPolarHBondContact OD1-CG 3.45Å; D45-R202 IonicContact OD1-CZ 2.83Å; D45-R202 IonicContact OD1-NH1 2.7Å; D45-R202 PolarHBondContact OD1-NH1 2.82Å; F48-R202 HydrophobicContact CD2-CB 4.24Å; F48-R202 VanDerWaalsContact CD2-CD 3.42Å; F48-R202 VanDerWaalsContact CE2-CD 3.49Å; D198-R202 WeakPolarHBondContact O-CB 3.39Å; D198-R202 VanDerWaalsContact O-CG 3.24Å; D198-R202 WeakPolarHBondContact O-CG 3.49Å; D198-R202 PolarHBondContact O-N 3.36Å; I199-R202 PolarHBondContact O-N 3.49Å; Y200-R202 PolarHBondContact O-N 3.05Å; R202-L204 VanDerWaalsContact C-N 3.33Å; R202-L204 PolarHBondContact O-N 3.09Å; R202-G507 PolarHBondContact NH2-O 2.87Å; R202-V508 HydrophobicContact CG-CG1 4.12Å
203	I	94.7	Very high	92.3	Very high	25 Å²	25	18.1 Å²	18.1	13%	0.128	9%	0.09	C	C	.	.	H	α-helix	trans	-67.4	-34.3	179	-65.5	165.5	0	0	0	111.7	F48 Y52 W171 I199 Y200 L339	F48-I203 HydrophobicContact CB-CD1 4.34Å; F48-I203 HydrophobicContact CB-CG1 3.97Å; Y52-I203 HydrophobicContact CD1-CG2 4.34Å; Y52-I203 HydrophobicContact CG-CG2 4.24Å; W171-I203 HydrophobicContact CH2-CD1 4.15Å; W171-I203 HydrophobicContact CZ2-CD1 3.82Å; I199-I203 HydrophobicContact CG2-CD1 3.74Å; I199-I203 VanDerWaalsContact O-CG1 3.31Å; I199-I203 WeakPolarHBondContact O-CG1 3.36Å; I199-I203 PolarHBondContact O-N 2.67Å; Y200-I203 PolarHBondContact O-N 2.87Å; I203-L339 HydrophobicContact CB-CD2 4.39Å; I203-L339 HydrophobicContact CG2-CD2 3.73Å
204	L	95.7	Very high	93.2	Very high	8 Å²	8	12.5 Å²	12.5	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-108.8	1.8	-170.4	-62.8	170.6	0	0	0	114.3	Y200 R202 H206 K207 N208 E338 L339	Y200-L204 HydrophobicContact CD1-CD1 4.04Å; Y200-L204 VanDerWaalsContact O-CB 3.26Å; Y200-L204 WeakPolarHBondContact O-CB 3.43Å; Y200-L204 PolarHBondContact O-N 2.83Å; R202-L204 VanDerWaalsContact C-N 3.33Å; R202-L204 PolarHBondContact O-N 3.09Å; L204-H206 PolarHBondContact O-N 2.94Å; L204-K207 HydrophobicContact CD2-CB 4.5Å; L204-K207 HydrophobicContact CD2-CD 4.01Å; L204-K207 CarbonylContact O-C 3.51Å; L204-K207 WeakPolarHBondContact O-CA 3.25Å; L204-K207 VanDerWaalsContact O-CB 3.27Å; L204-K207 WeakPolarHBondContact O-CB 3.29Å; L204-K207 PolarHBondContact O-N 3.13Å; L204-N208 PolarHBondContact O-N 3.46Å; L204-E338 WeakPolarHBondContact CD1-O 3.39Å; L204-L339 HydrophobicContact CD1-CD2 3.9Å; L204-L339 HydrophobicContact CD1-CG 4.29Å; L204-L339 HydrophobicContact CD2-CD2 4.13Å; L204-L339 HydrophobicContact CG-CD2 3.99Å
205	R	94.5	Very high	93.6	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.015	6%	0.061	C	C	.	.	H	α-helix	trans	-41	-63.3	-171.4	-160.8	-173	-65.5	-98.3	1.9	114.4	D45 N201 K207 N208 Y209 Y259 V508 D510	D45-R205 VanDerWaalsContact CG-NH2 3.31Å; D45-R205 IonicContact OD1-NH2 3.94Å; D45-R205 PolarHBondContact OD1-NH2 3.06Å; D45-R205 VanDerWaalsContact OD1-NH2 3.16Å; D45-R205 IonicContact OD2-CZ 3.92Å; D45-R205 IonicContact OD2-NE 2.64Å; D45-R205 PolarHBondContact OD2-NE 3.24Å; D45-R205 IonicContact OD2-NH2 3.47Å; D45-R205 PolarHBondContact OD2-NH2 3.47Å; N201-R205 VanDerWaalsContact O-CA 3.24Å; N201-R205 WeakPolarHBondContact O-CA 3.42Å; N201-R205 WeakPolarHBondContact O-CB 3.49Å; N201-R205 PolarHBondContact O-N 3.47Å; R205-K207 PolarHBondContact O-N 3.09Å; R205-N208 PolarHBondContact O-N 3.26Å; R205-Y209 HydrophobicContact CG-CE2 4.16Å; R205-Y209 WeakPolarHBondContact O-CD2 3.26Å; R205-Y209 PolarHBondContact O-N 3.24Å; R205-Y259 VanDerWaalsContact CD-O 3.28Å; R205-Y259 WeakPolarHBondContact CD-O 3.24Å; R205-V508 PolarHBondContact NH1-O 3.25Å; R205-V508 PolarHBondContact NH2-O 3.48Å; R205-D510 WeakPolarHBondContact CD-O 3.45Å; R205-D510 VanDerWaalsContact NH1-C 3.28Å; R205-D510 PolarHBondContact NH1-O 2.83Å
206	H	93.5	Very high	93.7	Very high	30 Å²	30	13 Å²	13	14%	0.139	6%	0.061	C	C	.	.	H	α-helix	trans	-66.3	-27	-179	-55.4	155.3	0	0	0	112.7	L204 L210 F249 Y259	L204-H206 PolarHBondContact O-N 2.94Å; H206-L210 WeakPolarHBondContact O-CG 3.31Å; H206-L210 PolarHBondContact O-N 3.29Å; H206-F249 HydrophobicContact CB-CD1 3.96Å; H206-F249 HydrophobicContact CB-CD2 3.76Å; H206-F249 HydrophobicContact CB-CE1 4.03Å; H206-F249 HydrophobicContact CB-CE2 3.85Å; H206-F249 HydrophobicContact CB-CG 3.83Å; H206-F249 HydrophobicContact CB-CZ 3.98Å; H206-F249 AromaticContact CD2-CD1 3.51Å; H206-F249 AromaticContact CD2-CG 3.89Å; H206-F249 AromaticContact CG-CD1 3.68Å; H206-F249 AromaticContact CG-CG 3.61Å; H206-F249 WeakPolarHBondContact O-CZ 3.34Å; H206-Y259 AromaticContact CE1-CD1 3.83Å; H206-Y259 PolarHBondContact NE2-O 3.43Å
207	K	94.8	Very high	93.7	Very high	63 Å²	63	15.5 Å²	15.5	27%	0.274	8%	0.075	S	C	.	.	H	α-helix	trans	-75.6	-40.2	179	-149.1	172.8	-170	176.5	0	111.3	L204 R205 Y209 L210 I211	L204-K207 HydrophobicContact CD2-CB 4.5Å; L204-K207 HydrophobicContact CD2-CD 4.01Å; L204-K207 CarbonylContact O-C 3.51Å; L204-K207 WeakPolarHBondContact O-CA 3.25Å; L204-K207 VanDerWaalsContact O-CB 3.27Å; L204-K207 WeakPolarHBondContact O-CB 3.29Å; L204-K207 PolarHBondContact O-N 3.13Å; R205-K207 PolarHBondContact O-N 3.09Å; K207-Y209 VanDerWaalsContact C-N 3.34Å; K207-Y209 PolarHBondContact O-N 2.98Å; K207-L210 PolarHBondContact O-N 3.21Å; K207-I211 WeakPolarHBondContact O-CD1 3.32Å; K207-I211 WeakPolarHBondContact O-CG1 3.29Å; K207-I211 PolarHBondContact O-N 3.45Å
208	N	95.8	Very high	93.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-39.7	173.3	-75.2	-23.9	0	0	0	111.9	L204 R205 I211 A212 F336 N337 C512 A515	L204-N208 PolarHBondContact O-N 3.46Å; R205-N208 PolarHBondContact O-N 3.26Å; N208-I211 PolarHBondContact O-N 3.03Å; N208-A212 WeakPolarHBondContact O-CB 3.43Å; N208-A212 PolarHBondContact O-N 3.09Å; N208-F336 HydrophobicContact CB-CD1 4.47Å; N208-N337 PolarHBondContact ND2-OD1 3.13Å; N208-N337 PolarHBondContact OD1-N 2.79Å; N208-C512 HydrophobicContact CB-CB 4.13Å; N208-A515 HydrophobicContact CB-CB 3.84Å; N208-A515 VanDerWaalsContact ND2-CB 3.29Å; N208-A515 WeakPolarHBondContact ND2-CB 3.36Å
209	Y	95.9	Very high	93.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-46.7	171.1	-75.6	-68.4	0	0	0	112.2	R205 K207 I211 A212 M213 F249 F256 F497 L498 T502 D510 V511 C512	R205-Y209 HydrophobicContact CG-CE2 4.16Å; R205-Y209 WeakPolarHBondContact O-CD2 3.26Å; R205-Y209 PolarHBondContact O-N 3.24Å; K207-Y209 VanDerWaalsContact C-N 3.34Å; K207-Y209 PolarHBondContact O-N 2.98Å; Y209-I211 PolarHBondContact O-N 3.41Å; Y209-A212 PolarHBondContact O-N 3.06Å; Y209-M213 WeakPolarHBondContact O-CB 3.38Å; Y209-M213 VanDerWaalsContact O-CG 3.3Å; Y209-M213 WeakPolarHBondContact O-CG 3.41Å; Y209-M213 PolarHBondContact O-N 3.13Å; Y209-F249 HydrophobicContact CD2-CE1 4.25Å; Y209-F249 HydrophobicContact CG-CE1 4.48Å; Y209-F256 HydrophobicContact CD2-CZ 4.14Å; Y209-F256 HydrophobicContact CE2-CE1 4.17Å; Y209-F256 HydrophobicContact CE2-CE2 4.26Å; Y209-F256 AromaticContact CE2-CZ 3.48Å; Y209-F256 HydrophobicContact CE2-CZ 3.48Å; Y209-F256 VanDerWaalsContact CE2-CZ 3.48Å; Y209-F256 AromaticContact CZ-CZ 3.71Å; Y209-F497 HydrophobicContact CD1-CE1 4.08Å; Y209-L498 HydrophobicContact CD1-CD2 4.47Å; Y209-T502 WeakPolarHBondContact CE1-OG1 3.39Å; Y209-T502 PolarHBondContact OH-OG1 2.7Å; Y209-D510 PolarHBondContact OH-O 3.33Å; Y209-V511 PolarHBondContact OH-O 3.41Å; Y209-C512 HydrophobicContact CD1-CB 3.6Å; Y209-C512 HydrophobicContact CD2-CB 4.23Å; Y209-C512 HydrophobicContact CE1-CB 3.64Å; Y209-C512 HydrophobicContact CE2-CB 4.25Å; Y209-C512 HydrophobicContact CG-CB 3.92Å; Y209-C512 VanDerWaalsContact CZ-N 3.33Å; Y209-C512 PolarHBondContact OH-N 3.18Å
210	L	95	Very high	93.6	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-39.1	177.2	-72.4	168.7	0	0	0	112.9	H206 K207 I214 I219 L241 K245 L248 F249	H206-L210 WeakPolarHBondContact O-CG 3.31Å; H206-L210 PolarHBondContact O-N 3.29Å; K207-L210 PolarHBondContact O-N 3.21Å; L210-I214 WeakPolarHBondContact O-CB 3.44Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.44Å; L210-I214 PolarHBondContact O-N 3.42Å; L210-I214 VanDerWaalsContact O-N 3.1Å; L210-I219 HydrophobicContact CD2-CD1 4.26Å; L210-L241 HydrophobicContact CD1-CD1 4.18Å; L210-K245 HydrophobicContact CD1-CG 3.91Å; L210-L248 HydrophobicContact CD2-CD1 4.1Å; L210-F249 HydrophobicContact CD1-CE2 4.06Å; L210-F249 HydrophobicContact CD2-CE2 4.23Å; L210-F249 HydrophobicContact CG-CE2 3.9Å; L210-F249 HydrophobicContact CG-CZ 4.27Å
211	I	95	Very high	93.4	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-60.7	-49.5	174.5	-67	159.6	0	0	0	109.6	K207 N208 Y209 I214 N215 L331 R334 F336	K207-I211 WeakPolarHBondContact O-CD1 3.32Å; K207-I211 WeakPolarHBondContact O-CG1 3.29Å; K207-I211 PolarHBondContact O-N 3.45Å; N208-I211 PolarHBondContact O-N 3.03Å; Y209-I211 PolarHBondContact O-N 3.41Å; I211-I214 PolarHBondContact O-N 3.11Å; I211-N215 WeakPolarHBondContact CG2-ND2 3.39Å; I211-N215 PolarHBondContact O-N 3.37Å; I211-N215 PolarHBondContact O-ND2 3.18Å; I211-N215 PolarHBondContact O-OD1 3.38Å; I211-L331 HydrophobicContact CG1-CD2 4.36Å; I211-R334 HydrophobicContact CD1-CB 4.42Å; I211-R334 HydrophobicContact CD1-CG 4.14Å; I211-F336 HydrophobicContact CB-CD1 4.44Å; I211-F336 HydrophobicContact CB-CE1 4.08Å; I211-F336 HydrophobicContact CG2-CD1 4.03Å; I211-F336 HydrophobicContact CG2-CE1 3.66Å; I211-F336 HydrophobicContact CG2-CZ 4.13Å
212	A	94.4	Very high	93.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.9	-46.2	178.2	0	0	0	0	0	112.9	N208 Y209 I214 N215 Q216 F336 F497 F514	N208-A212 WeakPolarHBondContact O-CB 3.43Å; N208-A212 PolarHBondContact O-N 3.09Å; Y209-A212 PolarHBondContact O-N 3.06Å; A212-I214 VanDerWaalsContact C-N 3.26Å; A212-I214 PolarHBondContact O-N 3.32Å; A212-N215 PolarHBondContact O-N 3.13Å; A212-Q216 WeakPolarHBondContact O-CB 3.1Å; A212-Q216 WeakPolarHBondContact O-CG 3.48Å; A212-Q216 PolarHBondContact O-N 2.75Å; A212-F336 HydrophobicContact CB-CE1 3.88Å; A212-F336 HydrophobicContact CB-CZ 4.03Å; A212-F497 HydrophobicContact CB-CE2 4.05Å; A212-F497 HydrophobicContact CB-CZ 3.72Å; A212-F514 HydrophobicContact CB-CD2 3.65Å; A212-F514 HydrophobicContact CB-CE2 4.17Å; A212-F514 HydrophobicContact CB-CG 4.44Å
213	M	94.3	Very high	93	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-31.6	177.6	-72.2	174.1	172.2	0	0	113.4	Y209 D217 I218 I219 L248 V494 F497 L498	Y209-M213 WeakPolarHBondContact O-CB 3.38Å; Y209-M213 VanDerWaalsContact O-CG 3.3Å; Y209-M213 WeakPolarHBondContact O-CG 3.41Å; Y209-M213 PolarHBondContact O-N 3.13Å; M213-D217 PolarHBondContact O-N 3.2Å; M213-I218 PolarHBondContact O-N 3.27Å; M213-I219 HydrophobicContact CB-CD1 3.71Å; M213-I219 HydrophobicContact CB-CG1 4.05Å; M213-I219 HydrophobicContact CG-CD1 4.38Å; M213-I219 HydrophobicContact SD-CD1 3.85Å; M213-I219 HydrophobicContact SD-CG1 4.43Å; M213-L248 HydrophobicContact CE-CD1 4.06Å; M213-L248 HydrophobicContact CE-CD2 4.14Å; M213-L248 HydrophobicContact SD-CD1 3.71Å; M213-V494 HydrophobicContact CE-CG1 4.32Å; M213-F497 HydrophobicContact CE-CD1 3.52Å; M213-F497 HydrophobicContact CE-CE1 3.54Å; M213-F497 HydrophobicContact CG-CD1 3.88Å; M213-F497 HydrophobicContact CG-CE1 3.5Å; M213-F497 HydrophobicContact CG-CE2 4.38Å; M213-F497 HydrophobicContact CG-CG 4.48Å; M213-F497 HydrophobicContact CG-CZ 3.79Å; M213-F497 HydrophobicContact SD-CE1 4.32Å; M213-L498 HydrophobicContact CE-CD2 3.9Å; M213-L498 HydrophobicContact CE-CG 4.12Å
214	I	93.2	Very high	92.4	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-79.4	-39.1	175.6	-68.4	-69.1	0	0	0	111.7	L210 I211 A212 Q216 D217 I219 V221 L236 Y328 L331	L210-I214 WeakPolarHBondContact O-CB 3.44Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.44Å; L210-I214 PolarHBondContact O-N 3.42Å; L210-I214 VanDerWaalsContact O-N 3.1Å; I211-I214 PolarHBondContact O-N 3.11Å; A212-I214 VanDerWaalsContact C-N 3.26Å; A212-I214 PolarHBondContact O-N 3.32Å; I214-Q216 VanDerWaalsContact C-N 3.27Å; I214-Q216 PolarHBondContact O-N 3.05Å; I214-D217 PolarHBondContact O-N 3.22Å; I214-I219 HydrophobicContact CD1-CB 4.33Å; I214-V221 HydrophobicContact CD1-CG1 3.63Å; I214-V221 HydrophobicContact CD1-CG2 4.33Å; I214-L236 HydrophobicContact CD1-CD2 4.13Å; I214-Y328 HydrophobicContact CG2-CD2 4.13Å; I214-Y328 HydrophobicContact CG2-CE2 3.84Å; I214-L331 HydrophobicContact CG1-CB 4.44Å; I214-L331 HydrophobicContact CG1-CD1 4.03Å; I214-L331 HydrophobicContact CG2-CB 4.39Å
215	N	90.3	Very high	91.5	Very high	20 Å²	20	33.2 Å²	33.2	11%	0.107	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-31.7	177.8	-56	-32	0	0	0	112.6	I211 A212 D217 F336 K597	I211-N215 WeakPolarHBondContact CG2-ND2 3.39Å; I211-N215 PolarHBondContact O-N 3.37Å; I211-N215 PolarHBondContact O-ND2 3.18Å; I211-N215 PolarHBondContact O-OD1 3.38Å; A212-N215 PolarHBondContact O-N 3.13Å; N215-D217 VanDerWaalsContact C-N 3.32Å; N215-F336 WeakPolarHBondContact ND2-CZ 3.42Å; N215-K597 WeakPolarHBondContact ND2-CD 3.36Å; N215-K597 WeakPolarHBondContact ND2-CE 3.38Å; N215-K597 PolarHBondContact ND2-NZ 3.14Å; N215-K597 PolarHBondContact OD1-NZ 2.98Å
216	Q	90	Very high	90.3	Very high	55 Å²	55	39.8 Å²	39.8	26%	0.257	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	7.3	177.6	-60.5	-68.1	-1.3	0	0	112.5	A212 I214 I218 S592	A212-Q216 WeakPolarHBondContact O-CB 3.1Å; A212-Q216 WeakPolarHBondContact O-CG 3.48Å; A212-Q216 PolarHBondContact O-N 2.75Å; I214-Q216 VanDerWaalsContact C-N 3.27Å; I214-Q216 PolarHBondContact O-N 3.05Å; Q216-I218 HydrophobicContact CB-CD1 3.6Å; Q216-I218 HydrophobicContact CB-CG1 3.8Å; Q216-I218 HydrophobicContact CG-CD1 4.41Å; Q216-I218 PolarHBondContact O-N 3.02Å; Q216-S592 PolarHBondContact NE2-O 2.93Å
217	D	90.3	Very high	88.9	Confident	72 Å²	72	41.4 Å²	41.4	39%	0.385	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	24.7	-179.4	-90.1	-57.9	0	0	0	115.3	M213 I214 N215 R222	M213-D217 PolarHBondContact O-N 3.2Å; I214-D217 PolarHBondContact O-N 3.22Å; N215-D217 VanDerWaalsContact C-N 3.32Å; D217-R222 IonicContact OD1-CZ 2.71Å; D217-R222 IonicContact OD1-NE 3.39Å; D217-R222 PolarHBondContact OD1-NE 3.01Å; D217-R222 IonicContact OD1-NH2 3.28Å; D217-R222 PolarHBondContact OD1-NH2 3.3Å; D217-R222 IonicContact OD2-CZ 2.67Å; D217-R222 IonicContact OD2-NE 2.63Å; D217-R222 PolarHBondContact OD2-NE 2.95Å; D217-R222 IonicContact OD2-NH2 3.34Å; D217-R222 PolarHBondContact OD2-NH2 3.45Å
218	I	92	Very high	87	Confident	21 Å²	21	44.7 Å²	44.7	11%	0.108	24%	0.236	C	C	.	.			trans	-73.4	-33.5	-175.7	-62.4	165.8	0	0	0	112.2	M213 Q216 E493 V494 F497	M213-I218 PolarHBondContact O-N 3.27Å; Q216-I218 HydrophobicContact CB-CD1 3.6Å; Q216-I218 HydrophobicContact CB-CG1 3.8Å; Q216-I218 HydrophobicContact CG-CD1 4.41Å; Q216-I218 PolarHBondContact O-N 3.02Å; I218-E493 HydrophobicContact CG2-CB 4.08Å; I218-V494 HydrophobicContact CG2-CG2 3.94Å; I218-F497 HydrophobicContact CD1-CB 3.88Å; I218-F497 HydrophobicContact CD1-CD2 3.19Å; I218-F497 HydrophobicContact CD1-CE2 3.92Å; I218-F497 HydrophobicContact CD1-CG 3.69Å
219	I	91.9	Very high	85.2	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-87.9	124.1	173.7	-66	170.3	0	0	0	107.8	L210 M213 I214 V221 L244	L210-I219 HydrophobicContact CD2-CD1 4.26Å; M213-I219 HydrophobicContact CB-CD1 3.71Å; M213-I219 HydrophobicContact CB-CG1 4.05Å; M213-I219 HydrophobicContact CG-CD1 4.38Å; M213-I219 HydrophobicContact SD-CD1 3.85Å; M213-I219 HydrophobicContact SD-CG1 4.43Å; I214-I219 HydrophobicContact CD1-CB 4.33Å; I219-V221 HydrophobicContact CG2-CG1 3.97Å; I219-V221 PolarHBondContact O-N 3.19Å; I219-L244 HydrophobicContact CD1-CD1 4.33Å; I219-L244 HydrophobicContact CD1-CD2 4.29Å; I219-L244 HydrophobicContact CG2-CD1 3.84Å; I219-L244 HydrophobicContact CG2-CD2 3.96Å
220	P	91.2	Very high	83.4	Confident	14 Å²	14	56.3 Å²	56.3	9%	0.091	30%	0.298	C	S	.	.			trans	-65.3	98.6	177.9	26.5	-34.9	0	0	0	110.8	F223 Y240 I486 L487	P220-F223 WeakPolarHBondContact O-CZ 3.5Å; P220-Y240 PolarHBondContact O-OH 3.4Å; P220-I486 HydrophobicContact CB-CG2 4.01Å; P220-I486 HydrophobicContact CG-CG2 4.09Å; P220-L487 HydrophobicContact CG-CD1 3.98Å
221	V	91.7	Very high	81.9	Confident	1 Å²	1	61 Å²	61	1%	0.006	33%	0.328	C	S	.	.			trans	-114	-14	173.7	-60.1	0	0	0	0	113.2	I214 I219 F223 V234 Y235 L236 Y328	I214-V221 HydrophobicContact CD1-CG1 3.63Å; I214-V221 HydrophobicContact CD1-CG2 4.33Å; I219-V221 HydrophobicContact CG2-CG1 3.97Å; I219-V221 PolarHBondContact O-N 3.19Å; V221-F223 WeakPolarHBondContact O-CD2 3.44Å; V221-F223 WeakPolarHBondContact O-CE2 3.35Å; V221-V234 CarbonylContact O-C 3.53Å; V221-V234 VanDerWaalsContact O-CA 3.32Å; V221-V234 WeakPolarHBondContact O-CA 3.34Å; V221-Y235 PolarHBondContact O-N 3.04Å; V221-L236 HydrophobicContact CG1-CB 4.45Å; V221-L236 HydrophobicContact CG1-CD1 3.99Å; V221-L236 HydrophobicContact CG1-CD2 4.28Å; V221-L236 HydrophobicContact CG1-CG 4.47Å; V221-Y328 HydrophobicContact CG2-CD2 4Å; V221-Y328 HydrophobicContact CG2-CE2 3.93Å
222	R	90.1	Very high	81.1	Confident	81 Å²	81	64 Å²	64	31%	0.306	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.3	-179.6	-50.9	-175.4	-166.9	-123.2	17.9	110.3	D217 Q232 V234 Y328	D217-R222 IonicContact OD1-CZ 2.71Å; D217-R222 IonicContact OD1-NE 3.39Å; D217-R222 PolarHBondContact OD1-NE 3.01Å; D217-R222 IonicContact OD1-NH2 3.28Å; D217-R222 PolarHBondContact OD1-NH2 3.3Å; D217-R222 IonicContact OD2-CZ 2.67Å; D217-R222 IonicContact OD2-NE 2.63Å; D217-R222 PolarHBondContact OD2-NE 2.95Å; D217-R222 IonicContact OD2-NH2 3.34Å; D217-R222 PolarHBondContact OD2-NH2 3.45Å; R222-Q232 HydrophobicContact CB-CG 4.17Å; R222-V234 HydrophobicContact CG-CG2 4.48Å; R222-Y328 PolarHBondContact NH2-OH 3.24Å
223	F	88	Confident	80.6	Confident	37 Å²	37	67.3 Å²	67.3	16%	0.162	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.2	-176	-57.6	-84.8	0	0	0	110.9	P220 V221 M233 Y235 I482 I486	P220-F223 WeakPolarHBondContact O-CZ 3.5Å; V221-F223 WeakPolarHBondContact O-CD2 3.44Å; V221-F223 WeakPolarHBondContact O-CE2 3.35Å; F223-M233 PolarHBondContact N-O 2.91Å; F223-M233 PolarHBondContact O-N 3.5Å; F223-Y235 HydrophobicContact CE2-CD1 4.29Å; F223-I482 HydrophobicContact CE1-CD1 4.38Å; F223-I482 HydrophobicContact CE1-CG1 4.35Å; F223-I482 HydrophobicContact CE1-CG2 4.48Å; F223-I482 HydrophobicContact CE2-CD1 4.25Å; F223-I482 HydrophobicContact CZ-CD1 3.81Å; F223-I482 HydrophobicContact CZ-CG1 4.21Å; F223-I482 HydrophobicContact CZ-CG2 4.14Å; F223-I486 HydrophobicContact CD1-CD1 4.05Å; F223-I486 HydrophobicContact CE1-CD1 3.67Å; F223-I486 HydrophobicContact CE1-CG2 4.32Å
224	R	83.5	Confident	80.5	Confident	210 Å²	210	68 Å²	68	79%	0.792	36%	0.363	S	S	*	.			trans	-94.9	116.5	173.5	-59.9	-169.5	179.5	171.6	0.8	109.1	P231	R224-P231 WeakPolarHBondContact CA-O 3.45Å; R224-P231 WeakPolarHBondContact CB-O 3.48Å; R224-P231 WeakPolarHBondContact CG-O 3.49Å
225	I	75.8	Confident	80.4	Confident	79 Å²	79	68.4 Å²	68.4	41%	0.405	37%	0.365	S	S	.	.			trans	-94.8	137.8	178.8	-56.2	178.9	0	0	0	108.2	S227 M233	I225-S227 WeakPolarHBondContact CG2-OG 3.35Å; I225-S227 PolarHBondContact O-N 3.2Å; I225-M233 HydrophobicContact CD1-CB 4.05Å; I225-M233 HydrophobicContact CD1-SD 3.87Å
226	P	69.7	Low	80.6	Confident	141 Å²	141	67.8 Å²	67.8	92%	0.916	36%	0.361	S	S	*	.	S	Bend	trans	-66.4	5	-178.7	-24	35.1	0	0	0	116.8
227	S	63.3	Low	80.8	Confident	65 Å²	65	65.1 Å²	65.1	46%	0.455	35%	0.349	S	S	.	.	S	Bend	trans	-96.3	140.1	-174.7	58.9	0	0	0	0	112.5	I225 L229	I225-S227 WeakPolarHBondContact CG2-OG 3.35Å; I225-S227 PolarHBondContact O-N 3.2Å; S227-L229 PolarHBondContact O-N 2.75Å
228	S	55.4	Low	80.7	Confident	131 Å²	131	63.3 Å²	63.3	92%	0.916	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	0.5	-169.4	-170.9	0	0	0	0	116.8
229	L	59.3	Low	80.6	Confident	157 Å²	157	62.5 Å²	62.5	82%	0.822	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-19.3	-167.1	-78.2	137.8	0	0	0	114.7	S227	S227-L229 PolarHBondContact O-N 2.75Å
230	N	57.2	Low	80.7	Confident	88 Å²	88	62.4 Å²	62.4	47%	0.471	34%	0.336	S	S	.	.			trans	-164.8	123.2	166.2	-106.7	-33.9	0	0	0	110.2	Q232	N230-Q232 VanDerWaalsContact C-N 3.28Å; N230-Q232 PolarHBondContact O-N 2.86Å
231	P	62.9	Low	80.8	Confident	103 Å²	103	62.5 Å²	62.5	67%	0.669	34%	0.335	S	S	*	.	S	Bend	trans	-74.9	-13.4	-173.8	30.4	-36.2	0	0	0	114.2	R224	R224-P231 WeakPolarHBondContact CA-O 3.45Å; R224-P231 WeakPolarHBondContact CB-O 3.48Å; R224-P231 WeakPolarHBondContact CG-O 3.49Å
232	Q	77.9	Confident	80.8	Confident	65 Å²	65	64 Å²	64	30%	0.304	34%	0.343	S	S	.	.			trans	-145.6	117.6	-179.1	-163.7	171.3	42.4	0	0	110.8	R222 N230 Q460	R222-Q232 HydrophobicContact CB-CG 4.17Å; N230-Q232 VanDerWaalsContact C-N 3.28Å; N230-Q232 PolarHBondContact O-N 2.86Å; Q232-Q460 PolarHBondContact O-NE2 2.91Å; Q232-Q460 VanDerWaalsContact O-NE2 3.16Å
233	M	85.3	Confident	81	Confident	69 Å²	69	60.3 Å²	60.3	34%	0.34	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.8	170.2	179.9	174.2	175.6	0	0	109.1	F223 I225	F223-M233 PolarHBondContact N-O 2.91Å; F223-M233 PolarHBondContact O-N 3.5Å; I225-M233 HydrophobicContact CD1-CB 4.05Å; I225-M233 HydrophobicContact CD1-SD 3.87Å
234	V	90.9	Very high	81.3	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.1	169.3	-178.4	0	0	0	0	108.4	V221 R222 Y328 Q460	V221-V234 CarbonylContact O-C 3.53Å; V221-V234 VanDerWaalsContact O-CA 3.32Å; V221-V234 WeakPolarHBondContact O-CA 3.34Å; R222-V234 HydrophobicContact CG-CG2 4.48Å; V234-Y328 HydrophobicContact CG1-CD1 4Å; V234-Y328 HydrophobicContact CG1-CD2 3.86Å; V234-Y328 HydrophobicContact CG1-CG 3.57Å; V234-Q460 HydrophobicContact CG2-CB 4.03Å; V234-Q460 HydrophobicContact CG2-CG 4.14Å
235	Y	92.5	Very high	81.8	Confident	11 Å²	11	51.6 Å²	51.6	4%	0.043	30%	0.297	C	S	.	.			trans	-134.7	111.9	179.6	174.1	-86.6	0	0	0	109.9	V221 F223 P237 Y240 E471 S475 I478 T479 I482	V221-Y235 PolarHBondContact O-N 3.04Å; F223-Y235 HydrophobicContact CE2-CD1 4.29Å; Y235-P237 HydrophobicContact CD1-CG 4.4Å; Y235-P237 HydrophobicContact CD2-CG 4.46Å; Y235-P237 HydrophobicContact CE1-CG 3.69Å; Y235-P237 HydrophobicContact CE2-CG 3.78Å; Y235-P237 VanDerWaalsContact CZ-CD 3.49Å; Y235-P237 WeakPolarHBondContact OH-CG 3.37Å; Y235-Y240 HydrophobicContact CD1-CD1 4.29Å; Y235-Y240 HydrophobicContact CE1-CD1 4.3Å; Y235-E471 HydrophobicContact CD2-CG 4.49Å; Y235-S475 WeakPolarHBondContact OH-CA 3.48Å; Y235-I478 HydrophobicContact CD2-CG2 4.46Å; Y235-I478 HydrophobicContact CE1-CG2 3.92Å; Y235-I478 HydrophobicContact CE2-CB 4.18Å; Y235-I478 HydrophobicContact CE2-CD1 4.19Å; Y235-I478 HydrophobicContact CE2-CG2 3.79Å; Y235-I478 VanDerWaalsContact CZ-CG2 3.47Å; Y235-I478 WeakPolarHBondContact OH-CB 3.12Å; Y235-T479 PolarHBondContact OH-OG1 3.09Å; Y235-T479 VanDerWaalsContact OH-OG1 3.09Å; Y235-I482 HydrophobicContact CD1-CD1 3.44Å; Y235-I482 VanDerWaalsContact CD1-CD1 3.44Å; Y235-I482 HydrophobicContact CE1-CD1 3.36Å; Y235-I482 HydrophobicContact CG-CD1 4.48Å
236	L	93.7	Very high	82.6	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.031	28%	0.281	C	S	.	.			trans	-150.7	65.1	176.6	-170.8	61.8	0	0	0	111.5	I214 V221 Y240 L244 N327 L331	I214-L236 HydrophobicContact CD1-CD2 4.13Å; V221-L236 HydrophobicContact CG1-CB 4.45Å; V221-L236 HydrophobicContact CG1-CD1 3.99Å; V221-L236 HydrophobicContact CG1-CD2 4.28Å; V221-L236 HydrophobicContact CG1-CG 4.47Å; L236-Y240 HydrophobicContact CD1-CD1 3.68Å; L236-Y240 HydrophobicContact CD1-CE1 4.14Å; L236-Y240 HydrophobicContact CD1-CG 4.37Å; L236-L244 HydrophobicContact CD1-CD1 4.06Å; L236-N327 WeakPolarHBondContact O-CB 3.43Å; L236-L331 HydrophobicContact CD2-CD1 3.98Å
237	P	93.6	Very high	83.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.24	C	C	.	.			trans	-67.2	161.6	173.7	27.5	-33.1	0	0	0	112.2	Y235 G239 Y240 L241 E471 E472	Y235-P237 HydrophobicContact CD1-CG 4.4Å; Y235-P237 HydrophobicContact CD2-CG 4.46Å; Y235-P237 HydrophobicContact CE1-CG 3.69Å; Y235-P237 HydrophobicContact CE2-CG 3.78Å; Y235-P237 VanDerWaalsContact CZ-CD 3.49Å; Y235-P237 WeakPolarHBondContact OH-CG 3.37Å; P237-G239 PolarHBondContact O-N 2.93Å; P237-Y240 PolarHBondContact O-N 2.85Å; P237-L241 PolarHBondContact O-N 3.34Å; P237-E471 HydrophobicContact CB-CB 4.5Å; P237-E472 WeakPolarHBondContact CA-OE1 3.47Å; P237-E472 VanDerWaalsContact CB-CD 3.46Å; P237-E472 WeakPolarHBondContact CB-OE1 3.16Å; P237-E472 VanDerWaalsContact CB-OE2 3.26Å; P237-E472 WeakPolarHBondContact CB-OE2 3.43Å
238	D	89.4	Confident	85.1	Confident	33 Å²	33	39.5 Å²	39.5	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-57.7	-34	178.4	-80.8	-50.5	0	0	0	111.8	Y240 L241 L242 N327 E472	D238-Y240 PolarHBondContact O-N 3.05Å; D238-L241 PolarHBondContact O-N 3.34Å; D238-L242 WeakPolarHBondContact O-CB 3.4Å; D238-L242 PolarHBondContact O-N 2.76Å; D238-N327 PolarHBondContact OD1-ND2 2.93Å; D238-N327 PolarHBondContact OD2-ND2 3.07Å; D238-E472 VanDerWaalsContact N-CD 3.33Å; D238-E472 PolarHBondContact N-OE1 3.37Å; D238-E472 PolarHBondContact N-OE2 3.19Å
239	G	89.7	Confident	86.8	Confident	5 Å²	5	33.8 Å²	33.8	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-32.7	173	0	0	0	0	0	114.8	P237 N243	P237-G239 PolarHBondContact O-N 2.93Å; G239-N243 PolarHBondContact O-N 3.33Å; G239-N243 PolarHBondContact O-ND2 2.88Å
240	Y	94.1	Very high	88.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-76.4	-42.8	172.7	-177.5	-152.4	0	0	0	110.6	P220 Y235 L236 P237 D238 L242 N243 L244 T479 I482 L483 L487	P220-Y240 PolarHBondContact O-OH 3.4Å; Y235-Y240 HydrophobicContact CD1-CD1 4.29Å; Y235-Y240 HydrophobicContact CE1-CD1 4.3Å; L236-Y240 HydrophobicContact CD1-CD1 3.68Å; L236-Y240 HydrophobicContact CD1-CE1 4.14Å; L236-Y240 HydrophobicContact CD1-CG 4.37Å; P237-Y240 PolarHBondContact O-N 2.85Å; D238-Y240 PolarHBondContact O-N 3.05Å; Y240-L242 VanDerWaalsContact C-N 3.27Å; Y240-L242 PolarHBondContact O-N 2.94Å; Y240-N243 PolarHBondContact O-N 2.97Å; Y240-N243 VanDerWaalsContact O-N 3.09Å; Y240-L244 HydrophobicContact CD1-CD1 4.4Å; Y240-L244 HydrophobicContact CD2-CD1 4.14Å; Y240-L244 HydrophobicContact CD2-CG 4.04Å; Y240-L244 HydrophobicContact CE1-CD1 4.22Å; Y240-L244 HydrophobicContact CE2-CD1 3.94Å; Y240-L244 HydrophobicContact CE2-CD2 3.87Å; Y240-L244 HydrophobicContact CE2-CG 3.78Å; Y240-L244 HydrophobicContact CG-CD1 4.35Å; Y240-L244 WeakPolarHBondContact O-CG 3.42Å; Y240-L244 PolarHBondContact O-N 3.38Å; Y240-T479 HydrophobicContact CD2-CG2 4.02Å; Y240-T479 HydrophobicContact CG-CG2 4.38Å; Y240-I482 HydrophobicContact CE1-CG2 4.35Å; Y240-I482 HydrophobicContact CE2-CG2 4.16Å; Y240-L483 HydrophobicContact CE2-CD2 4.12Å; Y240-L487 HydrophobicContact CE2-CD2 4.48Å
241	L	93.2	Very high	89.5	Confident	15 Å²	15	26.1 Å²	26.1	8%	0.079	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-32.7	176.6	-174.6	61	0	0	0	113	L210 P237 D238 K245 L331	L210-L241 HydrophobicContact CD1-CD1 4.18Å; P237-L241 PolarHBondContact O-N 3.34Å; D238-L241 PolarHBondContact O-N 3.34Å; L241-K245 WeakPolarHBondContact O-CD 3.34Å; L241-K245 WeakPolarHBondContact O-CG 3.3Å; L241-K245 PolarHBondContact O-N 3.48Å; L241-L331 HydrophobicContact CD1-CD1 4.02Å
242	L	92.2	Very high	90.6	Very high	33 Å²	33	25.4 Å²	25.4	17%	0.173	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-49.9	170.5	179.1	72.1	0	0	0	111.4	D238 Y240 L244 K245 L246 W250	D238-L242 WeakPolarHBondContact O-CB 3.4Å; D238-L242 PolarHBondContact O-N 2.76Å; Y240-L242 VanDerWaalsContact C-N 3.27Å; Y240-L242 PolarHBondContact O-N 2.94Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 2.91Å; L242-K245 PolarHBondContact O-N 3.22Å; L242-L246 WeakPolarHBondContact O-CB 3.14Å; L242-L246 PolarHBondContact O-N 3.05Å; L242-W250 HydrophobicContact CD1-CZ3 3.86Å
243	N	94.2	Very high	91	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-63.7	-40.3	-179.1	-82.5	-78.7	0	0	0	111.8	G239 Y240 K245 L246 I247 N290 L483	G239-N243 PolarHBondContact O-N 3.33Å; G239-N243 PolarHBondContact O-ND2 2.88Å; Y240-N243 PolarHBondContact O-N 2.97Å; Y240-N243 VanDerWaalsContact O-N 3.09Å; N243-K245 PolarHBondContact O-N 3.03Å; N243-L246 PolarHBondContact O-N 3.41Å; N243-I247 WeakPolarHBondContact O-CB 3.36Å; N243-I247 VanDerWaalsContact O-CD1 3.32Å; N243-I247 WeakPolarHBondContact O-CD1 3.18Å; N243-I247 WeakPolarHBondContact O-CG1 3.46Å; N243-I247 PolarHBondContact O-N 2.79Å; N243-N290 PolarHBondContact OD1-ND2 3.15Å; N243-L483 HydrophobicContact CB-CD1 3.96Å; N243-L483 HydrophobicContact CB-CD2 4.46Å
244	L	94	Very high	91.3	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-44.5	173.5	-69.1	166.7	0	0	0	112	I219 L236 Y240 L242 L246 I247 L248 L487	I219-L244 HydrophobicContact CD1-CD1 4.33Å; I219-L244 HydrophobicContact CD1-CD2 4.29Å; I219-L244 HydrophobicContact CG2-CD1 3.84Å; I219-L244 HydrophobicContact CG2-CD2 3.96Å; L236-L244 HydrophobicContact CD1-CD1 4.06Å; Y240-L244 HydrophobicContact CD1-CD1 4.4Å; Y240-L244 HydrophobicContact CD2-CD1 4.14Å; Y240-L244 HydrophobicContact CD2-CG 4.04Å; Y240-L244 HydrophobicContact CE1-CD1 4.22Å; Y240-L244 HydrophobicContact CE2-CD1 3.94Å; Y240-L244 HydrophobicContact CE2-CD2 3.87Å; Y240-L244 HydrophobicContact CE2-CG 3.78Å; Y240-L244 HydrophobicContact CG-CD1 4.35Å; Y240-L244 WeakPolarHBondContact O-CG 3.42Å; Y240-L244 PolarHBondContact O-N 3.38Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 2.91Å; L244-L246 PolarHBondContact O-N 3.17Å; L244-I247 PolarHBondContact O-N 2.82Å; L244-L248 VanDerWaalsContact O-CB 3.29Å; L244-L248 WeakPolarHBondContact O-CB 3.37Å; L244-L248 VanDerWaalsContact O-CG 3.27Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.24Å; L244-L487 HydrophobicContact CD2-CD1 4.41Å; L244-L487 HydrophobicContact CD2-CD2 3.86Å
245	K	93	Very high	91.4	Very high	58 Å²	58	24.6 Å²	24.6	25%	0.252	12%	0.118	S	C	.	.	H	α-helix	trans	-64	-39.6	174.9	-68.1	162.1	-173.5	163.8	0	112.6	L210 L241 L242 N243 I247 L248 F249 W250	L210-K245 HydrophobicContact CD1-CG 3.91Å; L241-K245 WeakPolarHBondContact O-CD 3.34Å; L241-K245 WeakPolarHBondContact O-CG 3.3Å; L241-K245 PolarHBondContact O-N 3.48Å; L242-K245 PolarHBondContact O-N 3.22Å; N243-K245 PolarHBondContact O-N 3.03Å; K245-I247 VanDerWaalsContact C-N 3.34Å; K245-L248 PolarHBondContact O-N 3.26Å; K245-F249 HydrophobicContact CB-CD2 4.3Å; K245-F249 HydrophobicContact CG-CD2 4.4Å; K245-F249 PolarHBondContact O-N 3.08Å; K245-W250 HydrophobicContact CB-CD2 4.05Å; K245-W250 HydrophobicContact CB-CE3 3.99Å; K245-W250 HydrophobicContact CB-CH2 4.04Å; K245-W250 HydrophobicContact CB-CZ2 4.06Å; K245-W250 HydrophobicContact CB-CZ3 3.99Å; K245-W250 HydrophobicContact CD-CH2 3.73Å; K245-W250 HydrophobicContact CD-CZ2 3.92Å; K245-W250 HydrophobicContact CD-CZ3 4.35Å; K245-W250 HydrophobicContact CG-CH2 4.46Å; K245-W250 HydrophobicContact CG-CZ2 4.38Å; K245-W250 PolarHBondContact O-N 3.33Å
246	L	92.5	Very high	91.3	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.058	12%	0.117	C	C	.	.	I	π-helix	trans	-66.8	-36.6	-179.7	-163.7	141.3	0	0	0	112.1	L242 N243 L244 T251 L286 P807 T811	L242-L246 WeakPolarHBondContact O-CB 3.14Å; L242-L246 PolarHBondContact O-N 3.05Å; N243-L246 PolarHBondContact O-N 3.41Å; L244-L246 PolarHBondContact O-N 3.17Å; L246-T251 HydrophobicContact CD2-CG2 3.42Å; L246-T251 VanDerWaalsContact CD2-CG2 3.42Å; L246-T251 HydrophobicContact CG-CG2 3.92Å; L246-T251 WeakPolarHBondContact O-CB 3.36Å; L246-T251 WeakPolarHBondContact O-CG2 3.05Å; L246-T251 PolarHBondContact O-N 2.87Å; L246-T251 PolarHBondContact O-OG1 3.37Å; L246-L286 HydrophobicContact CD2-CD1 3.91Å; L246-L286 HydrophobicContact CD2-CD2 3.69Å; L246-L286 HydrophobicContact CD2-CG 4.47Å; L246-P807 HydrophobicContact CD1-CB 4.42Å; L246-P807 HydrophobicContact CD1-CG 3.72Å; L246-P807 HydrophobicContact CG-CG 4.23Å; L246-T811 HydrophobicContact CD1-CG2 3.92Å; L246-T811 HydrophobicContact CD2-CG2 4.41Å
247	I	93.4	Very high	90.6	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.072	15%	0.146	C	C	.	.	I	π-helix	trans	-69.7	-43.3	173.1	-68.4	159.1	0	0	0	111.7	N243 L244 K245 S254 P255 L279 I283 L286 L483 L487	N243-I247 WeakPolarHBondContact O-CB 3.36Å; N243-I247 VanDerWaalsContact O-CD1 3.32Å; N243-I247 WeakPolarHBondContact O-CD1 3.18Å; N243-I247 WeakPolarHBondContact O-CG1 3.46Å; N243-I247 PolarHBondContact O-N 2.79Å; L244-I247 PolarHBondContact O-N 2.82Å; K245-I247 VanDerWaalsContact C-N 3.34Å; I247-S254 VanDerWaalsContact O-CB 3.32Å; I247-S254 WeakPolarHBondContact O-CB 3.24Å; I247-P255 VanDerWaalsContact O-CD 3.23Å; I247-P255 WeakPolarHBondContact O-CD 3.05Å; I247-L279 HydrophobicContact CG2-CD1 3.86Å; I247-I283 HydrophobicContact CD1-CD1 4.41Å; I247-I283 HydrophobicContact CD1-CG1 3.9Å; I247-I283 HydrophobicContact CD1-CG2 4.24Å; I247-I283 HydrophobicContact CG1-CG1 4.05Å; I247-I283 HydrophobicContact CG2-CD1 3.79Å; I247-I283 HydrophobicContact CG2-CG1 3.69Å; I247-L286 HydrophobicContact CD1-CD2 4.02Å; I247-L286 HydrophobicContact CG1-CD2 3.6Å; I247-L483 HydrophobicContact CD1-CD2 3.83Å; I247-L487 HydrophobicContact CD1-CD2 4.01Å
248	L	93	Very high	90.2	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	16%	0.156	C	C	.	.	I	π-helix	trans	-91.2	-31.7	-167.8	-69.3	172.7	0	0	0	115.2	L210 M213 L244 K245 S254 P255 F256 V494 L498	L210-L248 HydrophobicContact CD2-CD1 4.1Å; M213-L248 HydrophobicContact CE-CD1 4.06Å; M213-L248 HydrophobicContact CE-CD2 4.14Å; M213-L248 HydrophobicContact SD-CD1 3.71Å; L244-L248 VanDerWaalsContact O-CB 3.29Å; L244-L248 WeakPolarHBondContact O-CB 3.37Å; L244-L248 VanDerWaalsContact O-CG 3.27Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.24Å; K245-L248 PolarHBondContact O-N 3.26Å; L248-S254 PolarHBondContact O-OG 2.94Å; L248-P255 HydrophobicContact CD2-CG 4.44Å; L248-P255 WeakPolarHBondContact O-CD 3.25Å; L248-F256 WeakPolarHBondContact O-CD2 3.24Å; L248-V494 HydrophobicContact CD2-CG1 3.88Å; L248-L498 HydrophobicContact CD2-CD1 4.46Å
249	F	91.8	Very high	89.8	Confident	10 Å²	10	32.6 Å²	32.6	4%	0.044	15%	0.154	C	C	.	.	I	π-helix	trans	-134.1	-25.5	-165.8	-48.5	-63.6	0	0	0	115.9	H206 Y209 L210 K245 F256	H206-F249 HydrophobicContact CB-CD1 3.96Å; H206-F249 HydrophobicContact CB-CD2 3.76Å; H206-F249 HydrophobicContact CB-CE1 4.03Å; H206-F249 HydrophobicContact CB-CE2 3.85Å; H206-F249 HydrophobicContact CB-CG 3.83Å; H206-F249 HydrophobicContact CB-CZ 3.98Å; H206-F249 AromaticContact CD2-CD1 3.51Å; H206-F249 AromaticContact CD2-CG 3.89Å; H206-F249 AromaticContact CG-CD1 3.68Å; H206-F249 AromaticContact CG-CG 3.61Å; H206-F249 WeakPolarHBondContact O-CZ 3.34Å; Y209-F249 HydrophobicContact CD2-CE1 4.25Å; Y209-F249 HydrophobicContact CG-CE1 4.48Å; L210-F249 HydrophobicContact CD1-CE2 4.06Å; L210-F249 HydrophobicContact CD2-CE2 4.23Å; L210-F249 HydrophobicContact CG-CE2 3.9Å; L210-F249 HydrophobicContact CG-CZ 4.27Å; K245-F249 HydrophobicContact CB-CD2 4.3Å; K245-F249 HydrophobicContact CG-CD2 4.4Å; K245-F249 PolarHBondContact O-N 3.08Å; F249-F256 AromaticContact CD1-CD2 3.7Å; F249-F256 HydrophobicContact CD1-CD2 3.7Å; F249-F256 HydrophobicContact CD1-CE2 4.04Å; F249-F256 HydrophobicContact CD1-CG 4.32Å; F249-F256 HydrophobicContact CE1-CD2 4.09Å; F249-F256 AromaticContact CE1-CE2 3.96Å; F249-F256 HydrophobicContact CE1-CE2 3.96Å
250	W	85.2	Confident	89.5	Confident	74 Å²	74	35.6 Å²	35.6	28%	0.28	16%	0.164	S	C	.	.	I	π-helix	trans	-117.7	-14.3	-163	-54.9	-25.3	0	0	0	116.7	L242 K245 P807	L242-W250 HydrophobicContact CD1-CZ3 3.86Å; K245-W250 HydrophobicContact CB-CD2 4.05Å; K245-W250 HydrophobicContact CB-CE3 3.99Å; K245-W250 HydrophobicContact CB-CH2 4.04Å; K245-W250 HydrophobicContact CB-CZ2 4.06Å; K245-W250 HydrophobicContact CB-CZ3 3.99Å; K245-W250 HydrophobicContact CD-CH2 3.73Å; K245-W250 HydrophobicContact CD-CZ2 3.92Å; K245-W250 HydrophobicContact CD-CZ3 4.35Å; K245-W250 HydrophobicContact CG-CH2 4.46Å; K245-W250 HydrophobicContact CG-CZ2 4.38Å; K245-W250 PolarHBondContact O-N 3.33Å; W250-P807 VanDerWaalsContact CB-CD 3.46Å; W250-P807 HydrophobicContact CB-CG 4.16Å; W250-P807 HydrophobicContact CE3-CG 4.18Å
251	T	87.1	Confident	89.3	Confident	10 Å²	10	39.5 Å²	39.5	6%	0.061	18%	0.182	C	C	.	.	S	Bend	trans	-82.9	151.3	172.7	41.2	0	0	0	0	111.5	L246 W253 S254	L246-T251 HydrophobicContact CD2-CG2 3.42Å; L246-T251 VanDerWaalsContact CD2-CG2 3.42Å; L246-T251 HydrophobicContact CG-CG2 3.92Å; L246-T251 WeakPolarHBondContact O-CB 3.36Å; L246-T251 WeakPolarHBondContact O-CG2 3.05Å; L246-T251 PolarHBondContact O-N 2.87Å; L246-T251 PolarHBondContact O-OG1 3.37Å; T251-W253 HydrophobicContact CG2-CZ2 3.95Å; T251-W253 PolarHBondContact O-N 2.97Å; T251-W253 PolarHBondContact OG1-NE1 2.86Å; T251-S254 VanDerWaalsContact O-CB 3.26Å; T251-S254 WeakPolarHBondContact O-CB 3.43Å; T251-S254 PolarHBondContact O-N 3.05Å; T251-S254 PolarHBondContact O-OG 2.97Å; T251-S254 PolarHBondContact OG1-N 3.49Å
252	P	85.5	Confident	89.3	Confident	88 Å²	88	38.9 Å²	38.9	57%	0.571	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.4	174.8	-23.8	34.1	0	0	0	114.2	M803	P252-M803 HydrophobicContact CB-CE 4.38Å; P252-M803 HydrophobicContact CG-CE 4.28Å
253	W	86.5	Confident	89.3	Confident	131 Å²	131	39.2 Å²	39.2	50%	0.496	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	14.9	178.7	49.6	74.3	0	0	0	113.2	T251 R263 R282	T251-W253 HydrophobicContact CG2-CZ2 3.95Å; T251-W253 PolarHBondContact O-N 2.97Å; T251-W253 PolarHBondContact OG1-NE1 2.86Å; W253-R263 PolarHBondContact O-NH2 2.82Å; W253-R282 PolarHBondContact O-NH1 2.95Å
254	S	92.1	Very high	89.1	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	20%	0.203	C	C	.	.	S	Bend	trans	-69	165.5	172.1	93.7	0	0	0	0	111.1	I247 L248 T251 F256 R263	I247-S254 VanDerWaalsContact O-CB 3.32Å; I247-S254 WeakPolarHBondContact O-CB 3.24Å; L248-S254 PolarHBondContact O-OG 2.94Å; T251-S254 VanDerWaalsContact O-CB 3.26Å; T251-S254 WeakPolarHBondContact O-CB 3.43Å; T251-S254 PolarHBondContact O-N 3.05Å; T251-S254 PolarHBondContact O-OG 2.97Å; T251-S254 PolarHBondContact OG1-N 3.49Å; S254-F256 PolarHBondContact O-N 3.17Å; S254-F256 PolarHBondContact OG-N 2.86Å; S254-F256 PolarHBondContact OG-O 3.02Å; S254-R263 PolarHBondContact O-NE 3.46Å; S254-R263 PolarHBondContact O-NH2 2.82Å
255	P	92.5	Very high	89	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-56.1	-35.6	170.2	-27.7	34.8	0	0	0	113.8	I247 L248 L262 R263 Y266 L498	I247-P255 VanDerWaalsContact O-CD 3.23Å; I247-P255 WeakPolarHBondContact O-CD 3.05Å; L248-P255 HydrophobicContact CD2-CG 4.44Å; L248-P255 WeakPolarHBondContact O-CD 3.25Å; P255-L262 HydrophobicContact CB-CD1 3.82Å; P255-R263 WeakPolarHBondContact O-CB 3.2Å; P255-R263 PolarHBondContact O-N 3.32Å; P255-Y266 HydrophobicContact CB-CD1 4.14Å; P255-Y266 HydrophobicContact CB-CE1 3.77Å; P255-Y266 HydrophobicContact CB-CE2 4.33Å; P255-Y266 HydrophobicContact CG-CE1 3.84Å; P255-L498 HydrophobicContact CB-CD1 3.68Å; P255-L498 HydrophobicContact CG-CD1 3.74Å
256	F	89.9	Confident	89	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.9	175.2	-77.5	-98.3	0	0	0	110.8	Y209 L248 F249 S254 Q261 L262 L498 D510	Y209-F256 HydrophobicContact CD2-CZ 4.14Å; Y209-F256 HydrophobicContact CE2-CE1 4.17Å; Y209-F256 HydrophobicContact CE2-CE2 4.26Å; Y209-F256 AromaticContact CE2-CZ 3.48Å; Y209-F256 HydrophobicContact CE2-CZ 3.48Å; Y209-F256 VanDerWaalsContact CE2-CZ 3.48Å; Y209-F256 AromaticContact CZ-CZ 3.71Å; L248-F256 WeakPolarHBondContact O-CD2 3.24Å; F249-F256 AromaticContact CD1-CD2 3.7Å; F249-F256 HydrophobicContact CD1-CD2 3.7Å; F249-F256 HydrophobicContact CD1-CE2 4.04Å; F249-F256 HydrophobicContact CD1-CG 4.32Å; F249-F256 HydrophobicContact CE1-CD2 4.09Å; F249-F256 AromaticContact CE1-CE2 3.96Å; F249-F256 HydrophobicContact CE1-CE2 3.96Å; S254-F256 PolarHBondContact O-N 3.17Å; S254-F256 PolarHBondContact OG-N 2.86Å; S254-F256 PolarHBondContact OG-O 3.02Å; F256-Q261 WeakPolarHBondContact CA-O 3.27Å; F256-Q261 WeakPolarHBondContact CD1-O 3.45Å; F256-L262 HydrophobicContact CD2-CD1 4.02Å; F256-L262 HydrophobicContact CE1-CB 4.18Å; F256-L262 HydrophobicContact CE2-CD1 3.76Å; F256-L262 HydrophobicContact CZ-CB 4.29Å; F256-L262 HydrophobicContact CZ-CD1 4.06Å; F256-L498 HydrophobicContact CE2-CD2 4.16Å; F256-D510 HydrophobicContact CE1-CB 4.35Å
257	H	80.8	Confident	89	Confident	138 Å²	138	44.6 Å²	44.6	64%	0.639	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	-41.5	174.5	-175.7	-63.4	0	0	0	110.8	Q261 R263	H257-Q261 PolarHBondContact N-O 3.5Å; H257-R263 HydrophobicContact CB-CG 4.06Å
258	N	83.4	Confident	88.8	Confident	41 Å²	41	51.8 Å²	51.8	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	163.7	178.1	-59	-37.9	0	0	0	108.3	W260 Q261	N258-W260 HydrophobicContact CB-CD2 3.97Å; N258-W260 HydrophobicContact CB-CE3 4.14Å; N258-W260 HydrophobicContact CB-CH2 3.97Å; N258-W260 HydrophobicContact CB-CZ2 3.78Å; N258-W260 HydrophobicContact CB-CZ3 4.13Å; N258-W260 PolarHBondContact O-N 3.28Å; N258-Q261 HydrophobicContact CB-CB 4.33Å; N258-Q261 PolarHBondContact N-O 3.11Å; N258-Q261 PolarHBondContact O-N 3.11Å; N258-Q261 VanDerWaalsContact O-N 3.16Å
259	Y	81.6	Confident	88.7	Confident	35 Å²	35	56 Å²	56	14%	0.137	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-35.8	178.5	-93.1	-117	0	0	0	113.2	R205 H206 D805	R205-Y259 VanDerWaalsContact CD-O 3.28Å; R205-Y259 WeakPolarHBondContact CD-O 3.24Å; H206-Y259 AromaticContact CE1-CD1 3.83Å; H206-Y259 PolarHBondContact NE2-O 3.43Å; Y259-D805 WeakPolarHBondContact OH-CB 3.16Å; Y259-D805 PolarHBondContact OH-O 2.87Å
260	W	84.3	Confident	88.7	Confident	68 Å²	68	61.6 Å²	61.6	26%	0.258	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	1.4	-174.1	62.5	88.8	0	0	0	115.7	N43 N258 D510	N43-W260 HydrophobicContact CB-CZ3 4.04Å; N258-W260 HydrophobicContact CB-CD2 3.97Å; N258-W260 HydrophobicContact CB-CE3 4.14Å; N258-W260 HydrophobicContact CB-CH2 3.97Å; N258-W260 HydrophobicContact CB-CZ2 3.78Å; N258-W260 HydrophobicContact CB-CZ3 4.13Å; N258-W260 PolarHBondContact O-N 3.28Å; W260-D510 PolarHBondContact O-N 3.36Å
261	Q	90.1	Very high	89.1	Confident	82 Å²	82	61.6 Å²	61.6	38%	0.383	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	125.9	-169.7	-162.6	176.1	16.6	0	0	113.9	F256 H257 N258 D510	F256-Q261 WeakPolarHBondContact CA-O 3.27Å; F256-Q261 WeakPolarHBondContact CD1-O 3.45Å; H257-Q261 PolarHBondContact N-O 3.5Å; N258-Q261 HydrophobicContact CB-CB 4.33Å; N258-Q261 PolarHBondContact N-O 3.11Å; N258-Q261 PolarHBondContact O-N 3.11Å; N258-Q261 VanDerWaalsContact O-N 3.16Å; Q261-D510 WeakPolarHBondContact CA-OD2 3.35Å
262	L	92.6	Very high	89.4	Confident	3 Å²	3	65 Å²	65	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	140.9	174	-174.2	70.1	0	0	0	109.7	P255 F256 A264 Y266 K267 T502 D510	P255-L262 HydrophobicContact CB-CD1 3.82Å; F256-L262 HydrophobicContact CD2-CD1 4.02Å; F256-L262 HydrophobicContact CE1-CB 4.18Å; F256-L262 HydrophobicContact CE2-CD1 3.76Å; F256-L262 HydrophobicContact CZ-CB 4.29Å; F256-L262 HydrophobicContact CZ-CD1 4.06Å; L262-A264 PolarHBondContact O-N 3.49Å; L262-Y266 HydrophobicContact CD1-CG 4.4Å; L262-K267 HydrophobicContact CD2-CG 4.44Å; L262-T502 HydrophobicContact CD2-CG2 4.26Å; L262-D510 HydrophobicContact CB-CB 4.36Å; L262-D510 PolarHBondContact N-OD2 3.24Å
263	R	91.9	Very high	89.9	Confident	40 Å²	40	65.7 Å²	65.7	15%	0.151	31%	0.312	C	S	.	.			trans	-56.6	128	173.7	-82.7	-166.9	-79.2	137.3	-0.7	109.6	W253 S254 P255 H257 D265 Y266 E278	W253-R263 PolarHBondContact O-NH2 2.82Å; S254-R263 PolarHBondContact O-NE 3.46Å; S254-R263 PolarHBondContact O-NH2 2.82Å; P255-R263 WeakPolarHBondContact O-CB 3.2Å; P255-R263 PolarHBondContact O-N 3.32Å; H257-R263 HydrophobicContact CB-CG 4.06Å; R263-D265 PolarHBondContact O-N 2.96Å; R263-Y266 HydrophobicContact CB-CD2 3.93Å; R263-Y266 HydrophobicContact CB-CE2 4.33Å; R263-Y266 PolarHBondContact NH2-OH 3Å; R263-Y266 VanDerWaalsContact NH2-OH 3.14Å; R263-Y266 WeakPolarHBondContact O-CB 3.37Å; R263-Y266 PolarHBondContact O-N 3.2Å; R263-E278 IonicContact CZ-OE2 3.22Å; R263-E278 IonicContact NH1-OE2 2.9Å; R263-E278 PolarHBondContact NH1-OE2 3.1Å; R263-E278 VanDerWaalsContact NH1-OE2 3.07Å; R263-E278 IonicContact NH2-OE2 3.2Å
264	A	90.2	Very high	90.4	Very high	64 Å²	64	65.6 Å²	65.6	53%	0.529	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-54.3	-31.2	-175.2	0	0	0	0	0	113.2	L262 Y266 K267 W268	L262-A264 PolarHBondContact O-N 3.49Å; A264-Y266 PolarHBondContact O-N 2.89Å; A264-K267 WeakPolarHBondContact O-CB 3.38Å; A264-K267 PolarHBondContact O-N 3.37Å; A264-W268 PolarHBondContact O-NE1 3.33Å
265	D	92.3	Very high	90.5	Very high	51 Å²	51	65.9 Å²	65.9	27%	0.273	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-51.1	-38.5	173.6	-59.9	-71.6	0	0	0	113.5	R263 K267 W268 K271 L275	R263-D265 PolarHBondContact O-N 2.96Å; D265-K267 VanDerWaalsContact C-N 3.26Å; D265-K267 PolarHBondContact O-N 3.33Å; D265-W268 PolarHBondContact O-N 2.85Å; D265-K271 HydrophobicContact CB-CD 4.15Å; D265-K271 IonicContact OD1-NZ 2.95Å; D265-K271 PolarHBondContact OD1-NZ 2.99Å; D265-L275 HydrophobicContact CB-CD1 4.03Å; D265-L275 HydrophobicContact CB-CD2 4.12Å; D265-L275 WeakPolarHBondContact O-CD1 3.36Å
266	Y	93	Very high	90.7	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.008	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-72.8	-17	-178.9	-73.4	-110.4	0	0	0	112.8	P255 L262 R263 A264 W268 L275 V495 L498 R499	P255-Y266 HydrophobicContact CB-CD1 4.14Å; P255-Y266 HydrophobicContact CB-CE1 3.77Å; P255-Y266 HydrophobicContact CB-CE2 4.33Å; P255-Y266 HydrophobicContact CG-CE1 3.84Å; L262-Y266 HydrophobicContact CD1-CG 4.4Å; R263-Y266 HydrophobicContact CB-CD2 3.93Å; R263-Y266 HydrophobicContact CB-CE2 4.33Å; R263-Y266 PolarHBondContact NH2-OH 3Å; R263-Y266 VanDerWaalsContact NH2-OH 3.14Å; R263-Y266 WeakPolarHBondContact O-CB 3.37Å; R263-Y266 PolarHBondContact O-N 3.2Å; A264-Y266 PolarHBondContact O-N 2.89Å; Y266-W268 VanDerWaalsContact C-N 3.31Å; Y266-L275 HydrophobicContact CD1-CD1 4.42Å; Y266-L275 HydrophobicContact CD2-CD1 3.96Å; Y266-L275 HydrophobicContact CD2-CD2 4.3Å; Y266-L275 HydrophobicContact CE2-CD1 4.17Å; Y266-L275 HydrophobicContact CE2-CD2 3.79Å; Y266-L275 HydrophobicContact CE2-CG 4.44Å; Y266-L275 HydrophobicContact CG-CD1 4.06Å; Y266-V495 HydrophobicContact CD1-CG1 4.46Å; Y266-V495 HydrophobicContact CD1-CG2 4.41Å; Y266-V495 HydrophobicContact CE1-CG2 3.95Å; Y266-L498 HydrophobicContact CD1-CB 4.49Å; Y266-L498 HydrophobicContact CD1-CD1 4.26Å; Y266-L498 HydrophobicContact CE1-CD1 4.37Å; Y266-R499 VanDerWaalsContact O-CB 3.29Å; Y266-R499 WeakPolarHBondContact O-CB 3.46Å; Y266-R499 WeakPolarHBondContact O-CG 3.45Å
267	K	91.5	Very high	91.1	Very high	74 Å²	74	70.6 Å²	70.6	32%	0.322	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-76.9	-17.9	174	-64.1	-175.6	172.3	175.2	0	112	L262 A264 D265 E504 D510	L262-K267 HydrophobicContact CD2-CG 4.44Å; A264-K267 WeakPolarHBondContact O-CB 3.38Å; A264-K267 PolarHBondContact O-N 3.37Å; D265-K267 VanDerWaalsContact C-N 3.26Å; D265-K267 PolarHBondContact O-N 3.33Å; K267-E504 IonicContact NZ-OE2 3.18Å; K267-E504 PolarHBondContact NZ-OE2 2.88Å; K267-D510 VanDerWaalsContact CE-OD1 3.27Å; K267-D510 WeakPolarHBondContact CE-OD1 3.43Å; K267-D510 IonicContact NZ-OD1 2.73Å; K267-D510 PolarHBondContact NZ-OD1 2.83Å; K267-D510 IonicContact NZ-OD2 2.75Å; K267-D510 PolarHBondContact NZ-OD2 2.85Å
268	W	89.7	Confident	91.8	Very high	165 Å²	165	67 Å²	67	63%	0.625	33%	0.331	S	S	*	.			trans	-93.7	130.5	-178.1	-57.1	99.3	0	0	0	113	A264 D265 Y266 T270	A264-W268 PolarHBondContact O-NE1 3.33Å; D265-W268 PolarHBondContact O-N 2.85Å; Y266-W268 VanDerWaalsContact C-N 3.31Å; W268-T270 VanDerWaalsContact C-N 3.35Å; W268-T270 PolarHBondContact O-N 3.49Å
269	V	91.1	Very high	92.3	Very high	94 Å²	94	65.3 Å²	65.3	57%	0.57	32%	0.322	S	S	*	.	S	Bend	trans	-64	-38.7	178.3	-176.7	0	0	0	0	112.1	K271 R272	V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 3.18Å; V269-R272 WeakPolarHBondContact O-CB 3.38Å; V269-R272 WeakPolarHBondContact O-CG 3.41Å; V269-R272 PolarHBondContact O-N 2.87Å; V269-R272 VanDerWaalsContact O-N 3.15Å
270	T	92.8	Very high	93.1	Very high	129 Å²	129	63.9 Å²	63.9	79%	0.791	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.1	-173.7	48.8	0	0	0	0	113.7	W268	W268-T270 VanDerWaalsContact C-N 3.35Å; W268-T270 PolarHBondContact O-N 3.49Å
271	K	92.1	Very high	93.6	Very high	74 Å²	74	63.8 Å²	63.8	32%	0.322	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.1	-178.8	-66.4	-164.9	175.7	-169.7	0	114.6	D265 V269 H273 E274 L275	D265-K271 HydrophobicContact CB-CD 4.15Å; D265-K271 IonicContact OD1-NZ 2.95Å; D265-K271 PolarHBondContact OD1-NZ 2.99Å; V269-K271 VanDerWaalsContact C-N 3.3Å; V269-K271 PolarHBondContact O-N 3.18Å; K271-H273 VanDerWaalsContact C-N 3.3Å; K271-H273 PolarHBondContact O-N 3.17Å; K271-H273 VanDerWaalsContact O-N 3.12Å; K271-E274 WeakPolarHBondContact O-CB 3.31Å; K271-E274 PolarHBondContact O-N 3.34Å; K271-E274 VanDerWaalsContact O-N 3.14Å; K271-L275 HydrophobicContact CB-CD1 3.89Å; K271-L275 HydrophobicContact CB-CG 4.09Å; K271-L275 WeakPolarHBondContact O-CG 3.5Å; K271-L275 PolarHBondContact O-N 3.04Å
272	R	94.7	Very high	93.8	Very high	81 Å²	81	63.1 Å²	63.1	31%	0.306	32%	0.319	S	S	.	.	H	α-helix	trans	-55.5	-39.9	-167.7	76.3	169	-168.4	161.6	-4.1	114.3	V269 A276 L492 V495 D496	V269-R272 WeakPolarHBondContact O-CB 3.38Å; V269-R272 WeakPolarHBondContact O-CG 3.41Å; V269-R272 PolarHBondContact O-N 2.87Å; V269-R272 VanDerWaalsContact O-N 3.15Å; R272-A276 VanDerWaalsContact O-CB 3.28Å; R272-A276 WeakPolarHBondContact O-CB 3.27Å; R272-A276 PolarHBondContact O-N 2.91Å; R272-L492 HydrophobicContact CG-CD1 4.23Å; R272-V495 HydrophobicContact CB-CG1 4.14Å; R272-D496 VanDerWaalsContact CD-OD1 3.25Å; R272-D496 WeakPolarHBondContact CD-OD1 3.28Å; R272-D496 IonicContact CZ-OD2 2.67Å; R272-D496 IonicContact NH1-OD1 3.81Å; R272-D496 IonicContact NH1-OD2 3.75Å; R272-D496 PolarHBondContact NH1-OD2 3.38Å
273	H	95.8	Very high	94	Very high	103 Å²	103	63.2 Å²	63.2	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-76.8	-37.8	-177.9	-69.5	-71.2	0	0	0	112.2	K271 A276 V277	K271-H273 VanDerWaalsContact C-N 3.3Å; K271-H273 PolarHBondContact O-N 3.17Å; K271-H273 VanDerWaalsContact O-N 3.12Å; H273-A276 PolarHBondContact O-N 3.32Å; H273-V277 WeakPolarHBondContact O-CG2 3.24Å; H273-V277 PolarHBondContact O-N 3.24Å
274	E	96.2	Very high	94.2	Very high	128 Å²	128	66.5 Å²	66.5	60%	0.598	33%	0.331	S	S	*	.	H	α-helix	trans	-59.6	-50.3	173	-176	-174.7	-171.5	0	0	110.4	K271 A276 V277 E278	K271-E274 WeakPolarHBondContact O-CB 3.31Å; K271-E274 PolarHBondContact O-N 3.34Å; K271-E274 VanDerWaalsContact O-N 3.14Å; E274-A276 PolarHBondContact O-N 2.95Å; E274-V277 PolarHBondContact O-N 2.95Å; E274-E278 WeakPolarHBondContact O-CB 3.26Å; E274-E278 PolarHBondContact O-N 3.19Å
275	L	95.5	Very high	94.5	Very high	8 Å²	8	68 Å²	68	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-65.2	-35.4	178.4	-65.9	172.2	0	0	0	112.9	D265 Y266 K271 L279 V495	D265-L275 HydrophobicContact CB-CD1 4.03Å; D265-L275 HydrophobicContact CB-CD2 4.12Å; D265-L275 WeakPolarHBondContact O-CD1 3.36Å; Y266-L275 HydrophobicContact CD1-CD1 4.42Å; Y266-L275 HydrophobicContact CD2-CD1 3.96Å; Y266-L275 HydrophobicContact CD2-CD2 4.3Å; Y266-L275 HydrophobicContact CE2-CD1 4.17Å; Y266-L275 HydrophobicContact CE2-CD2 3.79Å; Y266-L275 HydrophobicContact CE2-CG 4.44Å; Y266-L275 HydrophobicContact CG-CD1 4.06Å; K271-L275 HydrophobicContact CB-CD1 3.89Å; K271-L275 HydrophobicContact CB-CG 4.09Å; K271-L275 WeakPolarHBondContact O-CG 3.5Å; K271-L275 PolarHBondContact O-N 3.04Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 PolarHBondContact O-N 3.38Å; L275-V495 HydrophobicContact CB-CG1 4.27Å; L275-V495 HydrophobicContact CB-CG2 4.29Å
276	A	96.2	Very high	94.6	Very high	6 Å²	6	66.3 Å²	66.3	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-39.4	175.9	0	0	0	0	0	112.3	R272 H273 E274 A280 T491 L492 V495	R272-A276 VanDerWaalsContact O-CB 3.28Å; R272-A276 WeakPolarHBondContact O-CB 3.27Å; R272-A276 PolarHBondContact O-N 2.91Å; H273-A276 PolarHBondContact O-N 3.32Å; E274-A276 PolarHBondContact O-N 2.95Å; A276-A280 VanDerWaalsContact O-CB 3.27Å; A276-A280 WeakPolarHBondContact O-CB 3.42Å; A276-A280 PolarHBondContact O-N 2.97Å; A276-T491 WeakPolarHBondContact O-CB 3.48Å; A276-T491 PolarHBondContact O-OG1 3.32Å; A276-L492 HydrophobicContact CB-CB 4.17Å; A276-L492 HydrophobicContact CB-CD1 4.06Å; A276-V495 HydrophobicContact CB-CG2 4.29Å
277	V	96.8	Very high	94.7	Very high	97 Å²	97	66.2 Å²	66.2	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-72.6	-40.2	176.1	172.6	0	0	0	0	111.5	H273 E274 A280 T281	H273-V277 WeakPolarHBondContact O-CG2 3.24Å; H273-V277 PolarHBondContact O-N 3.24Å; E274-V277 PolarHBondContact O-N 2.95Å; V277-A280 PolarHBondContact O-N 3.05Å; V277-T281 WeakPolarHBondContact O-CB 3.45Å; V277-T281 PolarHBondContact O-N 3.05Å; V277-T281 PolarHBondContact O-OG1 3.25Å
278	E	95.6	Very high	94.9	Very high	63 Å²	63	68.1 Å²	68.1	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-55.7	-51.4	170.1	173.1	176.2	-101.6	0	0	110.7	R263 E274 T281 R282	R263-E278 IonicContact CZ-OE2 3.22Å; R263-E278 IonicContact NH1-OE2 2.9Å; R263-E278 PolarHBondContact NH1-OE2 3.1Å; R263-E278 VanDerWaalsContact NH1-OE2 3.07Å; R263-E278 IonicContact NH2-OE2 3.2Å; E274-E278 WeakPolarHBondContact O-CB 3.26Å; E274-E278 PolarHBondContact O-N 3.19Å; E278-T281 PolarHBondContact O-N 3.43Å; E278-R282 WeakPolarHBondContact O-CG 3.39Å; E278-R282 PolarHBondContact O-N 2.85Å; E278-R282 IonicContact OE1-CZ 3.24Å; E278-R282 IonicContact OE1-NH1 2.74Å; E278-R282 IonicContact OE1-NH2 2.73Å; E278-R282 PolarHBondContact OE1-NH2 3.32Å; E278-R282 IonicContact OE2-CZ 2.81Å; E278-R282 VanDerWaalsContact OE2-CZ 3.24Å; E278-R282 IonicContact OE2-NH1 3.66Å; E278-R282 PolarHBondContact OE2-NH1 3.48Å; E278-R282 IonicContact OE2-NH2 3.74Å; E278-R282 PolarHBondContact OE2-NH2 2.99Å
279	L	95.6	Very high	95.1	Very high	4 Å²	4	63 Å²	63	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-45.7	-179.9	-176	60	0	0	0	111.6	I247 L275 T281 R282 I283 T491 V494 V495	I247-L279 HydrophobicContact CG2-CD1 3.86Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 PolarHBondContact O-N 3.38Å; L279-T281 VanDerWaalsContact C-N 3.25Å; L279-T281 PolarHBondContact O-N 2.95Å; L279-R282 PolarHBondContact O-N 3.49Å; L279-I283 HydrophobicContact CD1-CD1 4.05Å; L279-I283 HydrophobicContact CD1-CG1 4.24Å; L279-I283 HydrophobicContact CG-CD1 3.84Å; L279-I283 HydrophobicContact CG-CG1 4.44Å; L279-I283 WeakPolarHBondContact O-CB 3.44Å; L279-I283 WeakPolarHBondContact O-CG1 3.27Å; L279-I283 PolarHBondContact O-N 2.9Å; L279-T491 HydrophobicContact CB-CG2 4.36Å; L279-T491 HydrophobicContact CD2-CG2 4.19Å; L279-T491 HydrophobicContact CG-CG2 4Å; L279-V494 HydrophobicContact CD2-CG1 4.09Å; L279-V495 HydrophobicContact CD2-CG2 4.17Å
280	A	96.7	Very high	95.3	Very high	6 Å²	6	58.7 Å²	58.7	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-57.6	-39	176	0	0	0	0	0	112.3	A276 V277 R284 P488 T491	A276-A280 VanDerWaalsContact O-CB 3.27Å; A276-A280 WeakPolarHBondContact O-CB 3.42Å; A276-A280 PolarHBondContact O-N 2.97Å; V277-A280 PolarHBondContact O-N 3.05Å; A280-R284 WeakPolarHBondContact O-CG 3.04Å; A280-R284 PolarHBondContact O-N 3.02Å; A280-R284 VanDerWaalsContact O-N 3.08Å; A280-P488 HydrophobicContact CB-CB 4.01Å; A280-T491 HydrophobicContact CB-CG2 4.05Å
281	T	96	Very high	95.4	Very high	66 Å²	66	55.8 Å²	55.8	41%	0.405	27%	0.27	S	S	.	.	H	α-helix	trans	-68.8	-45.7	178.4	-56.2	0	0	0	0	111.1	V277 E278 L279 I283 R284 I285	V277-T281 WeakPolarHBondContact O-CB 3.45Å; V277-T281 PolarHBondContact O-N 3.05Å; V277-T281 PolarHBondContact O-OG1 3.25Å; E278-T281 PolarHBondContact O-N 3.43Å; L279-T281 VanDerWaalsContact C-N 3.25Å; L279-T281 PolarHBondContact O-N 2.95Å; T281-I283 VanDerWaalsContact C-N 3.35Å; T281-I283 PolarHBondContact O-N 3.48Å; T281-R284 PolarHBondContact O-N 2.9Å; T281-I285 HydrophobicContact CG2-CD1 4.12Å; T281-I285 WeakPolarHBondContact O-CG1 3.5Å; T281-I285 PolarHBondContact O-N 3.05Å
282	R	94.6	Very high	95.5	Very high	68 Å²	68	58.6 Å²	58.6	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-41.2	175.4	-71.8	173.8	176.6	158.9	14	112.5	W253 E278 L279 I285 L286	W253-R282 PolarHBondContact O-NH1 2.95Å; E278-R282 WeakPolarHBondContact O-CG 3.39Å; E278-R282 PolarHBondContact O-N 2.85Å; E278-R282 IonicContact OE1-CZ 3.24Å; E278-R282 IonicContact OE1-NH1 2.74Å; E278-R282 IonicContact OE1-NH2 2.73Å; E278-R282 PolarHBondContact OE1-NH2 3.32Å; E278-R282 IonicContact OE2-CZ 2.81Å; E278-R282 VanDerWaalsContact OE2-CZ 3.24Å; E278-R282 IonicContact OE2-NH1 3.66Å; E278-R282 PolarHBondContact OE2-NH1 3.48Å; E278-R282 IonicContact OE2-NH2 3.74Å; E278-R282 PolarHBondContact OE2-NH2 2.99Å; L279-R282 PolarHBondContact O-N 3.49Å; R282-I285 PolarHBondContact O-N 3.43Å; R282-L286 PolarHBondContact O-N 3.41Å
283	I	96	Very high	95.2	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-43.5	177.8	-67.8	173.4	0	0	0	111.2	I247 L279 T281 I285 L286 G287 L483 L487 P488 T491	I247-I283 HydrophobicContact CD1-CD1 4.41Å; I247-I283 HydrophobicContact CD1-CG1 3.9Å; I247-I283 HydrophobicContact CD1-CG2 4.24Å; I247-I283 HydrophobicContact CG1-CG1 4.05Å; I247-I283 HydrophobicContact CG2-CD1 3.79Å; I247-I283 HydrophobicContact CG2-CG1 3.69Å; L279-I283 HydrophobicContact CD1-CD1 4.05Å; L279-I283 HydrophobicContact CD1-CG1 4.24Å; L279-I283 HydrophobicContact CG-CD1 3.84Å; L279-I283 HydrophobicContact CG-CG1 4.44Å; L279-I283 WeakPolarHBondContact O-CB 3.44Å; L279-I283 WeakPolarHBondContact O-CG1 3.27Å; L279-I283 PolarHBondContact O-N 2.9Å; T281-I283 VanDerWaalsContact C-N 3.35Å; T281-I283 PolarHBondContact O-N 3.48Å; I283-I285 PolarHBondContact O-N 3.02Å; I283-L286 PolarHBondContact O-N 3.45Å; I283-G287 PolarHBondContact O-N 3.46Å; I283-L483 HydrophobicContact CG2-CB 4.32Å; I283-L483 HydrophobicContact CG2-CD2 4.17Å; I283-L483 WeakPolarHBondContact CG2-O 3.31Å; I283-L487 HydrophobicContact CD1-CD2 4.13Å; I283-L487 HydrophobicContact CD1-CG 4.22Å; I283-L487 HydrophobicContact CG2-CB 4.37Å; I283-L487 HydrophobicContact CG2-CD2 3.95Å; I283-L487 HydrophobicContact CG2-CG 4.28Å; I283-P488 HydrophobicContact CG2-CG 4.08Å; I283-T491 HydrophobicContact CD1-CG2 3.71Å
284	R	96.5	Very high	95	Very high	108 Å²	108	52.3 Å²	52.3	41%	0.408	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-41	175.7	-73.1	177	-175.2	130.4	2.4	112.7	A280 T281 G287 L288 P488	A280-R284 WeakPolarHBondContact O-CG 3.04Å; A280-R284 PolarHBondContact O-N 3.02Å; A280-R284 VanDerWaalsContact O-N 3.08Å; T281-R284 PolarHBondContact O-N 2.9Å; R284-G287 PolarHBondContact O-N 3.33Å; R284-L288 PolarHBondContact O-N 3.41Å; R284-P488 HydrophobicContact CG-CB 4.2Å; R284-P488 HydrophobicContact CG-CG 3.65Å
285	I	95.3	Very high	94.8	Very high	95 Å²	95	50.2 Å²	50.2	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-46.1	176.5	-68.4	165.2	0	0	0	110.6	T281 R282 I283 G287 L288 I289	T281-I285 HydrophobicContact CG2-CD1 4.12Å; T281-I285 WeakPolarHBondContact O-CG1 3.5Å; T281-I285 PolarHBondContact O-N 3.05Å; R282-I285 PolarHBondContact O-N 3.43Å; I283-I285 PolarHBondContact O-N 3.02Å; I285-G287 PolarHBondContact O-N 3.3Å; I285-L288 PolarHBondContact O-N 3.37Å; I285-I289 HydrophobicContact CG2-CD1 3.97Å; I285-I289 WeakPolarHBondContact O-CG1 3.26Å; I285-I289 PolarHBondContact O-N 3.24Å
286	L	94.3	Very high	94.3	Very high	17 Å²	17	53.1 Å²	53.1	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-43	174.6	179	63.2	0	0	0	111.8	L246 I247 R282 I283 L288 I289 N290	L246-L286 HydrophobicContact CD2-CD1 3.91Å; L246-L286 HydrophobicContact CD2-CD2 3.69Å; L246-L286 HydrophobicContact CD2-CG 4.47Å; I247-L286 HydrophobicContact CD1-CD2 4.02Å; I247-L286 HydrophobicContact CG1-CD2 3.6Å; R282-L286 PolarHBondContact O-N 3.41Å; I283-L286 PolarHBondContact O-N 3.45Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.46Å; L286-I289 PolarHBondContact O-N 2.93Å; L286-N290 WeakPolarHBondContact O-CB 3.33Å; L286-N290 PolarHBondContact O-N 3.1Å; L286-N290 PolarHBondContact O-ND2 3.06Å
287	G	95.6	Very high	93.9	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.2	-41.1	174.8	0	0	0	0	0	113.2	I283 R284 I285 N290 L291 P480	I283-G287 PolarHBondContact O-N 3.46Å; R284-G287 PolarHBondContact O-N 3.33Å; I285-G287 PolarHBondContact O-N 3.3Å; G287-N290 PolarHBondContact O-N 3.18Å; G287-L291 WeakPolarHBondContact O-CB 3.15Å; G287-L291 PolarHBondContact O-N 3.18Å; G287-P480 VanDerWaalsContact O-CB 3.24Å; G287-P480 WeakPolarHBondContact O-CB 3.42Å
288	L	96.6	Very high	93.6	Very high	113 Å²	113	51 Å²	51	59%	0.592	26%	0.262	S	S	*	.	H	α-helix	trans	-67.6	-42.8	176.9	-174.1	66.7	0	0	0	112.5	R284 I285 L286 N290 L291 L292	R284-L288 PolarHBondContact O-N 3.41Å; I285-L288 PolarHBondContact O-N 3.37Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.46Å; L288-N290 VanDerWaalsContact C-N 3.33Å; L288-N290 PolarHBondContact O-N 3.17Å; L288-L291 PolarHBondContact O-N 2.9Å; L288-L292 PolarHBondContact O-N 3.42Å
289	I	94.4	Very high	93.3	Very high	57 Å²	57	52.1 Å²	52.1	29%	0.292	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-44.1	174.9	-69.2	166.2	0	0	0	110.6	I285 L286 L292 M293 M812	I285-I289 HydrophobicContact CG2-CD1 3.97Å; I285-I289 WeakPolarHBondContact O-CG1 3.26Å; I285-I289 PolarHBondContact O-N 3.24Å; L286-I289 PolarHBondContact O-N 2.93Å; I289-L292 PolarHBondContact O-N 3.45Å; I289-M293 PolarHBondContact O-N 3.07Å; I289-M812 HydrophobicContact CG2-CG 3.53Å; I289-M812 HydrophobicContact CG2-SD 3.85Å
290	N	93.4	Very high	92.8	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-41.6	176.1	-73.9	-22.9	0	0	0	112.3	N243 L286 G287 L288 M293 A294 P480 L483 M815	N243-N290 PolarHBondContact OD1-ND2 3.15Å; L286-N290 WeakPolarHBondContact O-CB 3.33Å; L286-N290 PolarHBondContact O-N 3.1Å; L286-N290 PolarHBondContact O-ND2 3.06Å; G287-N290 PolarHBondContact O-N 3.18Å; L288-N290 VanDerWaalsContact C-N 3.33Å; L288-N290 PolarHBondContact O-N 3.17Å; N290-M293 PolarHBondContact O-N 2.94Å; N290-A294 PolarHBondContact O-N 3.29Å; N290-P480 HydrophobicContact CB-CB 3.93Å; N290-L483 WeakPolarHBondContact ND2-CD1 3.43Å; N290-M815 HydrophobicContact CB-CE 3.66Å; N290-M815 WeakPolarHBondContact OD1-CE 3.42Å
291	L	95.3	Very high	92.4	Very high	68 Å²	68	53.1 Å²	53.1	36%	0.356	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-40.4	177.7	-170.9	63.2	0	0	0	112	G287 L288 M293 A294 P480 I484	G287-L291 WeakPolarHBondContact O-CB 3.15Å; G287-L291 PolarHBondContact O-N 3.18Å; L288-L291 PolarHBondContact O-N 2.9Å; L291-M293 VanDerWaalsContact C-N 3.33Å; L291-M293 PolarHBondContact O-N 3.05Å; L291-A294 WeakPolarHBondContact O-CB 3.48Å; L291-A294 PolarHBondContact O-N 3.29Å; L291-P480 HydrophobicContact CB-CB 3.91Å; L291-P480 HydrophobicContact CB-CG 4.32Å; L291-P480 HydrophobicContact CD1-CB 4.31Å; L291-P480 HydrophobicContact CD1-CG 4.02Å; L291-I484 HydrophobicContact CD2-CD1 4.06Å
292	L	94.2	Very high	92.1	Very high	134 Å²	134	53 Å²	53	70%	0.702	27%	0.272	S	S	*	.	H	α-helix	trans	-62.8	-38.7	177	-178.7	63.3	0	0	0	112.2	L288 I289	L288-L292 PolarHBondContact O-N 3.42Å; I289-L292 PolarHBondContact O-N 3.45Å
293	M	88.7	Confident	91.8	Very high	45 Å²	45	51 Å²	51	22%	0.222	27%	0.267	C	S	.	.	H	α-helix	trans	-81.8	-16.6	178.9	-68.9	-59.3	-60.9	0	0	114.1	I289 N290 L291 P295 V296 I297 M812	I289-M293 PolarHBondContact O-N 3.07Å; N290-M293 PolarHBondContact O-N 2.94Å; L291-M293 VanDerWaalsContact C-N 3.33Å; L291-M293 PolarHBondContact O-N 3.05Å; M293-P295 VanDerWaalsContact C-N 3.34Å; M293-P295 VanDerWaalsContact O-N 3.13Å; M293-V296 PolarHBondContact O-N 3.03Å; M293-V296 VanDerWaalsContact O-N 3.07Å; M293-I297 HydrophobicContact CB-CD1 3.53Å; M293-I297 HydrophobicContact CB-CG1 4.18Å; M293-I297 WeakPolarHBondContact O-CD1 3.43Å; M293-I297 WeakPolarHBondContact O-CG1 3.14Å; M293-I297 PolarHBondContact O-N 3.47Å; M293-M812 HydrophobicContact CE-CB 4.07Å; M293-M812 HydrophobicContact CG-CB 3.69Å; M293-M812 HydrophobicContact CG-CG 3.65Å; M293-M812 HydrophobicContact CG-SD 3.66Å; M293-M812 HydrophobicContact SD-CB 3.9Å; M293-M812 HydrophobicContact SD-CG 4.18Å; M293-M812 HydrophobicContact SD-SD 3.74Å
294	A	92.5	Very high	91.3	Very high	6 Å²	6	51.1 Å²	51.1	5%	0.05	27%	0.268	C	S	.	.	H	α-helix	trans	-48.4	-41.5	-170.8	0	0	0	0	0	115.2	N290 L291 V296 I297 F298 P476	N290-A294 PolarHBondContact O-N 3.29Å; L291-A294 WeakPolarHBondContact O-CB 3.48Å; L291-A294 PolarHBondContact O-N 3.29Å; A294-V296 PolarHBondContact O-N 3.39Å; A294-I297 PolarHBondContact O-N 3.32Å; A294-F298 VanDerWaalsContact O-CB 3.24Å; A294-F298 WeakPolarHBondContact O-CB 3.26Å; A294-F298 PolarHBondContact O-N 3.28Å; A294-P476 VanDerWaalsContact CB-O 3.27Å; A294-P476 WeakPolarHBondContact CB-O 3.46Å
295	P	90.8	Very high	90.9	Very high	84 Å²	84	47.3 Å²	47.3	55%	0.545	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-41.2	179.9	-23	34.9	0	0	0	113.5	M293 I299	M293-P295 VanDerWaalsContact C-N 3.34Å; M293-P295 VanDerWaalsContact O-N 3.13Å; P295-I299 WeakPolarHBondContact O-CG1 3.29Å; P295-I299 PolarHBondContact O-N 3.49Å
296	V	86.4	Confident	90.6	Very high	70 Å²	70	47 Å²	47	42%	0.424	25%	0.253	S	S	.	.	H	α-helix	trans	-69.7	-42.6	-179.6	-174.9	0	0	0	0	110.3	L124 M293 A294 A300	L124-V296 HydrophobicContact CD1-CG1 4.39Å; M293-V296 PolarHBondContact O-N 3.03Å; M293-V296 VanDerWaalsContact O-N 3.07Å; A294-V296 PolarHBondContact O-N 3.39Å; V296-A300 PolarHBondContact O-N 3.02Å; V296-A300 VanDerWaalsContact O-N 3.13Å
297	I	86.7	Confident	90.3	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-45	177.5	-56.5	156.2	0	0	0	110.3	M293 A294 I299 A300 Q301 P476 M815	M293-I297 HydrophobicContact CB-CD1 3.53Å; M293-I297 HydrophobicContact CB-CG1 4.18Å; M293-I297 WeakPolarHBondContact O-CD1 3.43Å; M293-I297 WeakPolarHBondContact O-CG1 3.14Å; M293-I297 PolarHBondContact O-N 3.47Å; A294-I297 PolarHBondContact O-N 3.32Å; I297-I299 PolarHBondContact O-N 3.17Å; I297-A300 PolarHBondContact O-N 3.1Å; I297-Q301 VanDerWaalsContact O-CB 3.31Å; I297-Q301 WeakPolarHBondContact O-CB 3.32Å; I297-Q301 PolarHBondContact O-N 3.48Å; I297-P476 HydrophobicContact CB-CB 3.98Å; I297-P476 HydrophobicContact CB-CG 4.22Å; I297-P476 HydrophobicContact CG2-CB 3.72Å; I297-P476 HydrophobicContact CG2-CG 3.5Å; I297-M815 HydrophobicContact CB-CB 4.36Å; I297-M815 HydrophobicContact CD1-CB 3.22Å; I297-M815 HydrophobicContact CD1-CG 3.56Å; I297-M815 HydrophobicContact CD1-SD 4.2Å; I297-M815 HydrophobicContact CG1-CB 3.54Å; I297-M815 HydrophobicContact CG1-CG 4.41Å; I297-M815 HydrophobicContact CG2-CB 3.85Å
298	F	91.1	Very high	89.8	Confident	56 Å²	56	51.4 Å²	51.4	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-43.7	-178.5	-179.1	-97.5	0	0	0	112.1	A294 Q301 L302 L473 F474	A294-F298 VanDerWaalsContact O-CB 3.24Å; A294-F298 WeakPolarHBondContact O-CB 3.26Å; A294-F298 PolarHBondContact O-N 3.28Å; F298-Q301 PolarHBondContact O-N 3.42Å; F298-L302 HydrophobicContact CE1-CD2 4.47Å; F298-L302 VanDerWaalsContact O-CB 3.28Å; F298-L302 WeakPolarHBondContact O-CB 3.39Å; F298-L302 PolarHBondContact O-N 3.35Å; F298-L473 VanDerWaalsContact CD2-O 3.29Å; F298-L473 WeakPolarHBondContact CD2-O 3.41Å; F298-L473 HydrophobicContact CE2-CD1 4.09Å; F298-L473 HydrophobicContact CE2-CG 4.04Å; F298-L473 WeakPolarHBondContact CE2-O 3.29Å; F298-F474 AromaticContact CE2-CD1 3.84Å; F298-F474 HydrophobicContact CE2-CD1 3.84Å; F298-F474 AromaticContact CE2-CE1 3.94Å; F298-F474 HydrophobicContact CE2-CE1 3.94Å; F298-F474 HydrophobicContact CZ-CD1 4.49Å; F298-F474 HydrophobicContact CZ-CE1 4.15Å
299	I	88	Confident	89.2	Confident	86 Å²	86	46.4 Å²	46.4	44%	0.441	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-46.9	176	-67.2	166.2	0	0	0	110.7	T81 P295 I297 Q301 L302 V303	T81-I299 HydrophobicContact CG2-CG2 3.9Å; P295-I299 WeakPolarHBondContact O-CG1 3.29Å; P295-I299 PolarHBondContact O-N 3.49Å; I297-I299 PolarHBondContact O-N 3.17Å; I299-Q301 PolarHBondContact O-N 3.21Å; I299-L302 PolarHBondContact O-N 3.07Å; I299-V303 WeakPolarHBondContact O-CG2 3.22Å; I299-V303 PolarHBondContact O-N 2.87Å
300	A	85.7	Confident	88.8	Confident	17 Å²	17	46.1 Å²	46.1	14%	0.14	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-40.6	178.4	0	0	0	0	0	112.6	V296 I297 T304 A816	V296-A300 PolarHBondContact O-N 3.02Å; V296-A300 VanDerWaalsContact O-N 3.13Å; I297-A300 PolarHBondContact O-N 3.1Å; A300-T304 VanDerWaalsContact O-CB 3.26Å; A300-T304 WeakPolarHBondContact O-CB 3.44Å; A300-T304 PolarHBondContact O-N 3.18Å; A300-T304 PolarHBondContact O-OG1 3.43Å; A300-A816 HydrophobicContact CB-CB 4.36Å
301	Q	88	Confident	88.3	Confident	13 Å²	13	52.5 Å²	52.5	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-40.7	175	176.9	68.1	-46	0	0	111.5	I297 F298 I299 T304 F305 E472 L473 A819	I297-Q301 VanDerWaalsContact O-CB 3.31Å; I297-Q301 WeakPolarHBondContact O-CB 3.32Å; I297-Q301 PolarHBondContact O-N 3.48Å; F298-Q301 PolarHBondContact O-N 3.42Å; I299-Q301 PolarHBondContact O-N 3.21Å; Q301-T304 PolarHBondContact O-N 2.88Å; Q301-F305 WeakPolarHBondContact O-CB 3.38Å; Q301-F305 PolarHBondContact O-N 3.45Å; Q301-E472 PolarHBondContact NE2-O 2.89Å; Q301-L473 HydrophobicContact CG-CD1 4.06Å; Q301-A819 HydrophobicContact CB-CB 3.86Å; Q301-A819 HydrophobicContact CG-CB 4.23Å; Q301-A819 VanDerWaalsContact OE1-CB 3.28Å
302	L	90.1	Very high	87.7	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.335	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-47.6	177.2	179	61.4	0	0	0	111.8	F298 I299 F305 I306 L473	F298-L302 HydrophobicContact CE1-CD2 4.47Å; F298-L302 VanDerWaalsContact O-CB 3.28Å; F298-L302 WeakPolarHBondContact O-CB 3.39Å; F298-L302 PolarHBondContact O-N 3.35Å; I299-L302 PolarHBondContact O-N 3.07Å; L302-F305 PolarHBondContact O-N 3.19Å; L302-I306 HydrophobicContact CD1-CD1 3.96Å; L302-I306 HydrophobicContact CD1-CG1 4.44Å; L302-I306 HydrophobicContact CG-CD1 4.07Å; L302-I306 VanDerWaalsContact O-CG1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.43Å; L302-L473 HydrophobicContact CB-CD1 4.05Å; L302-L473 HydrophobicContact CD1-CD1 4.11Å; L302-L473 HydrophobicContact CD1-CD2 4.33Å
303	V	89	Confident	87	Confident	25 Å²	25	51.6 Å²	51.6	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-48.4	175.8	172.2	0	0	0	0	110.5	V77 I80 I299 F305 I306 C307	V77-V303 HydrophobicContact CG1-CB 4.46Å; V77-V303 HydrophobicContact CG1-CG1 4.12Å; I80-V303 HydrophobicContact CG2-CG1 3.68Å; I299-V303 WeakPolarHBondContact O-CG2 3.22Å; I299-V303 PolarHBondContact O-N 2.87Å; V303-F305 VanDerWaalsContact C-N 3.34Å; V303-F305 PolarHBondContact O-N 3.04Å; V303-I306 PolarHBondContact O-N 3.3Å; V303-C307 PolarHBondContact O-N 3.28Å; V303-C307 PolarHBondContact O-SG 3.1Å; V303-C307 VanDerWaalsContact O-SG 3.36Å
304	T	85.7	Confident	86.6	Confident	8 Å²	8	58.6 Å²	58.6	5%	0.049	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-43.3	178.2	-57.4	0	0	0	0	111.7	A300 Q301 C307 A308 L820 A823	A300-T304 VanDerWaalsContact O-CB 3.26Å; A300-T304 WeakPolarHBondContact O-CB 3.44Å; A300-T304 PolarHBondContact O-N 3.18Å; A300-T304 PolarHBondContact O-OG1 3.43Å; Q301-T304 PolarHBondContact O-N 2.88Å; T304-C307 PolarHBondContact O-N 3.5Å; T304-A308 WeakPolarHBondContact O-CB 3.35Å; T304-A308 PolarHBondContact O-N 3.06Å; T304-L820 HydrophobicContact CG2-CD2 3.67Å; T304-L820 HydrophobicContact CG2-CG 4.07Å; T304-A823 HydrophobicContact CG2-CB 3.82Å
305	F	86.8	Confident	86.2	Confident	28 Å²	28	65.8 Å²	65.8	12%	0.123	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-48.4	177.9	169	-113.8	0	0	0	111.9	Q301 L302 V303 H309 F313 F320 L469	Q301-F305 WeakPolarHBondContact O-CB 3.38Å; Q301-F305 PolarHBondContact O-N 3.45Å; L302-F305 PolarHBondContact O-N 3.19Å; V303-F305 VanDerWaalsContact C-N 3.34Å; V303-F305 PolarHBondContact O-N 3.04Å; F305-H309 AromaticContact CD2-CE1 3.7Å; F305-H309 AromaticContact CD2-ND1 3.39Å; F305-H309 WeakPolarHBondContact CD2-ND1 3.49Å; F305-H309 HydrophobicContact CE2-CB 4.44Å; F305-H309 AromaticContact CE2-CE1 3.78Å; F305-H309 AromaticContact CE2-CG 3.83Å; F305-H309 AromaticContact CE2-ND1 3.51Å; F305-H309 WeakPolarHBondContact O-CB 3.39Å; F305-H309 PolarHBondContact O-N 3.41Å; F305-H309 PolarHBondContact O-ND1 3.23Å; F305-F313 HydrophobicContact CE1-CE2 4Å; F305-F313 AromaticContact CE1-CZ 3.8Å; F305-F313 HydrophobicContact CE1-CZ 3.8Å; F305-F313 AromaticContact CZ-CE2 3.94Å; F305-F313 HydrophobicContact CZ-CE2 3.94Å; F305-F313 AromaticContact CZ-CZ 3.72Å; F305-F313 HydrophobicContact CZ-CZ 3.72Å; F305-F320 HydrophobicContact CZ-CE1 4.45Å; F305-L469 HydrophobicContact CD2-CD2 4.21Å; F305-L469 HydrophobicContact CE2-CB 4.01Å; F305-L469 HydrophobicContact CE2-CD1 3.9Å; F305-L469 HydrophobicContact CE2-CD2 3.8Å; F305-L469 HydrophobicContact CE2-CG 4.1Å; F305-L469 HydrophobicContact CZ-CB 4.38Å; F305-L469 HydrophobicContact CZ-CD1 4.36Å
306	I	88.7	Confident	85.8	Confident	88 Å²	88	66.2 Å²	66.2	45%	0.451	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-48.8	177.9	-68.4	165.1	0	0	0	110.3	L302 V303 H309 A310	L302-I306 HydrophobicContact CD1-CD1 3.96Å; L302-I306 HydrophobicContact CD1-CG1 4.44Å; L302-I306 HydrophobicContact CG-CD1 4.07Å; L302-I306 VanDerWaalsContact O-CG1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.49Å; L302-I306 PolarHBondContact O-N 3.43Å; V303-I306 PolarHBondContact O-N 3.3Å; I306-H309 CarbonylContact O-C 3.54Å; I306-H309 PolarHBondContact O-N 3.01Å; I306-A310 WeakPolarHBondContact O-CA 3.22Å; I306-A310 WeakPolarHBondContact O-CB 2.95Å; I306-A310 PolarHBondContact O-N 2.96Å
307	C	88.3	Confident	85.5	Confident	55 Å²	55	66.2 Å²	66.2	37%	0.372	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-48.5	179.2	-68.7	0	0	0	0	112.4	V303 T304 H309 A310	V303-C307 PolarHBondContact O-N 3.28Å; V303-C307 PolarHBondContact O-SG 3.1Å; V303-C307 VanDerWaalsContact O-SG 3.36Å; T304-C307 PolarHBondContact O-N 3.5Å; C307-H309 PolarHBondContact O-N 3.02Å; C307-A310 PolarHBondContact O-N 2.86Å
308	A	85	Confident	85.1	Confident	56 Å²	56	69.9 Å²	69.9	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-16.5	-178.4	0	0	0	0	0	114	T304 A823	T304-A308 WeakPolarHBondContact O-CB 3.35Å; T304-A308 PolarHBondContact O-N 3.06Å; A308-A823 HydrophobicContact CB-CB 4.39Å
309	H	84.3	Confident	84.6	Confident	8 Å²	8	69 Å²	69	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-118.2	6.7	-179.9	-64.2	81.2	0	0	0	113.7	F305 I306 C307 E311 R312 F313 F320	F305-H309 AromaticContact CD2-CE1 3.7Å; F305-H309 AromaticContact CD2-ND1 3.39Å; F305-H309 WeakPolarHBondContact CD2-ND1 3.49Å; F305-H309 HydrophobicContact CE2-CB 4.44Å; F305-H309 AromaticContact CE2-CE1 3.78Å; F305-H309 AromaticContact CE2-CG 3.83Å; F305-H309 AromaticContact CE2-ND1 3.51Å; F305-H309 WeakPolarHBondContact O-CB 3.39Å; F305-H309 PolarHBondContact O-N 3.41Å; F305-H309 PolarHBondContact O-ND1 3.23Å; I306-H309 CarbonylContact O-C 3.54Å; I306-H309 PolarHBondContact O-N 3.01Å; C307-H309 PolarHBondContact O-N 3.02Å; H309-E311 VanDerWaalsContact C-N 3.27Å; H309-E311 PolarHBondContact O-N 3.36Å; H309-R312 PolarHBondContact NE2-NH1 3.48Å; H309-R312 PolarHBondContact O-N 3.3Å; H309-F313 HydrophobicContact CB-CD2 3.82Å; H309-F313 HydrophobicContact CB-CE2 3.77Å; H309-F313 WeakPolarHBondContact O-CD2 3.28Å; H309-F313 PolarHBondContact O-N 2.8Å; H309-F320 HydrophobicContact CB-CE1 3.96Å; H309-F320 HydrophobicContact CB-CZ 3.84Å; H309-F320 AromaticContact CD2-CE1 3.65Å
310	A	85.5	Confident	84.2	Confident	51 Å²	51	65.1 Å²	65.1	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-55.9	-39.3	-173.2	0	0	0	0	0	113.2	I306 C307 F313 R314	I306-A310 WeakPolarHBondContact O-CA 3.22Å; I306-A310 WeakPolarHBondContact O-CB 2.95Å; I306-A310 PolarHBondContact O-N 2.96Å; C307-A310 PolarHBondContact O-N 2.86Å; A310-F313 PolarHBondContact O-N 2.84Å; A310-R314 VanDerWaalsContact O-CB 3.29Å; A310-R314 WeakPolarHBondContact O-CB 3.41Å; A310-R314 PolarHBondContact O-N 3.49Å
311	E	83.8	Confident	84	Confident	138 Å²	138	70.1 Å²	70.1	65%	0.645	35%	0.354	S	S	*	.	H	α-helix	trans	-62.4	-48.3	174.4	-171.1	-165.1	159.4	0	0	112	H309 F313 R314 Y315	H309-E311 VanDerWaalsContact C-N 3.27Å; H309-E311 PolarHBondContact O-N 3.36Å; E311-F313 VanDerWaalsContact C-N 3.34Å; E311-F313 PolarHBondContact O-N 3.32Å; E311-R314 PolarHBondContact O-N 3.13Å; E311-Y315 HydrophobicContact CG-CD2 3.82Å; E311-Y315 HydrophobicContact CG-CE2 4.37Å; E311-Y315 WeakPolarHBondContact O-CD2 3.04Å; E311-Y315 PolarHBondContact O-N 2.88Å
312	R	82.8	Confident	83.9	Confident	89 Å²	89	70.6 Å²	70.6	34%	0.336	36%	0.362	S	S	.	.	H	α-helix	trans	-63.8	-39.9	178.6	-64.1	-179.9	-174.2	147.3	2.9	111.2	H309 Q316 P317 F320	H309-R312 PolarHBondContact NE2-NH1 3.48Å; H309-R312 PolarHBondContact O-N 3.3Å; R312-Q316 CarbonylContact O-C 3.6Å; R312-Q316 PolarHBondContact O-N 3.44Å; R312-P317 VanDerWaalsContact O-N 3.13Å; R312-F320 HydrophobicContact CB-CE2 3.73Å; R312-F320 HydrophobicContact CB-CZ 3.75Å
313	F	79.6	Confident	83.9	Confident	94 Å²	94	67.9 Å²	67.9	41%	0.412	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-39.3	173.8	-82	-60.9	0	0	0	112.7	F305 H309 A310 E311 F320	F305-F313 HydrophobicContact CE1-CE2 4Å; F305-F313 AromaticContact CE1-CZ 3.8Å; F305-F313 HydrophobicContact CE1-CZ 3.8Å; F305-F313 AromaticContact CZ-CE2 3.94Å; F305-F313 HydrophobicContact CZ-CE2 3.94Å; F305-F313 AromaticContact CZ-CZ 3.72Å; F305-F313 HydrophobicContact CZ-CZ 3.72Å; H309-F313 HydrophobicContact CB-CD2 3.82Å; H309-F313 HydrophobicContact CB-CE2 3.77Å; H309-F313 WeakPolarHBondContact O-CD2 3.28Å; H309-F313 PolarHBondContact O-N 2.8Å; A310-F313 PolarHBondContact O-N 2.84Å; E311-F313 VanDerWaalsContact C-N 3.34Å; E311-F313 PolarHBondContact O-N 3.32Å; F313-F320 HydrophobicContact CB-CE2 4.47Å; F313-F320 AromaticContact CD1-CE2 3.62Å; F313-F320 HydrophobicContact CD1-CE2 3.62Å; F313-F320 AromaticContact CD1-CZ 3.68Å; F313-F320 HydrophobicContact CD1-CZ 3.68Å; F313-F320 HydrophobicContact CD2-CE2 4.38Å; F313-F320 AromaticContact CD2-CZ 3.7Å; F313-F320 HydrophobicContact CD2-CZ 3.7Å; F313-F320 HydrophobicContact CE1-CE1 4.27Å; F313-F320 AromaticContact CE1-CE2 3.85Å; F313-F320 HydrophobicContact CE1-CE2 3.85Å; F313-F320 AromaticContact CE1-CZ 3.65Å; F313-F320 HydrophobicContact CE1-CZ 3.65Å; F313-F320 HydrophobicContact CE2-CE1 4.17Å; F313-F320 AromaticContact CE2-CZ 3.68Å; F313-F320 HydrophobicContact CE2-CZ 3.68Å; F313-F320 AromaticContact CG-CE2 3.89Å; F313-F320 HydrophobicContact CG-CE2 3.89Å; F313-F320 AromaticContact CG-CZ 3.69Å; F313-F320 HydrophobicContact CG-CZ 3.69Å; F313-F320 AromaticContact CZ-CE1 3.99Å; F313-F320 HydrophobicContact CZ-CE1 3.99Å; F313-F320 HydrophobicContact CZ-CE2 4.33Å; F313-F320 AromaticContact CZ-CZ 3.65Å; F313-F320 HydrophobicContact CZ-CZ 3.65Å
314	R	79.9	Confident	84	Confident	191 Å²	191	67.6 Å²	67.6	72%	0.721	34%	0.344	S	S	*	.	H	α-helix	trans	-82.7	-34.4	-175.3	-168.9	174.4	177.4	93.6	1.2	114	A310 E311	A310-R314 VanDerWaalsContact O-CB 3.29Å; A310-R314 WeakPolarHBondContact O-CB 3.41Å; A310-R314 PolarHBondContact O-N 3.49Å; E311-R314 PolarHBondContact O-N 3.13Å
315	Y	83.8	Confident	84.4	Confident	157 Å²	157	68.1 Å²	68.1	62%	0.616	35%	0.345	S	S	*	.	H	α-helix	trans	-123	-26.1	-168.9	-55.5	-59.2	0	0	0	115.2	E311	E311-Y315 HydrophobicContact CG-CD2 3.82Å; E311-Y315 HydrophobicContact CG-CE2 4.37Å; E311-Y315 WeakPolarHBondContact O-CD2 3.04Å; E311-Y315 PolarHBondContact O-N 2.88Å
316	Q	82.7	Confident	84.7	Confident	93 Å²	93	66.9 Å²	66.9	44%	0.435	34%	0.34	S	S	.	.			trans	-141	56.7	-173.6	-60.7	-169.8	4.8	0	0	113.7	R312 S318 T319	R312-Q316 CarbonylContact O-C 3.6Å; R312-Q316 PolarHBondContact O-N 3.44Å; Q316-S318 PolarHBondContact O-N 2.62Å; Q316-S318 VanDerWaalsContact O-N 3.14Å; Q316-T319 HydrophobicContact CB-CG2 3.84Å; Q316-T319 WeakPolarHBondContact O-CB 3.3Å; Q316-T319 PolarHBondContact O-N 3.08Å; Q316-T319 PolarHBondContact O-OG1 3.15Å
317	P	79.9	Confident	84.8	Confident	70 Å²	70	63 Å²	63	46%	0.455	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-63.1	-23.1	-174.4	25.3	-35.2	0	0	0	114	R312 T319 F320	R312-P317 VanDerWaalsContact O-N 3.13Å; P317-T319 PolarHBondContact O-N 3.43Å; P317-F320 WeakPolarHBondContact O-CD2 3.13Å; P317-F320 PolarHBondContact O-N 3.38Å
318	S	77.6	Confident	85.1	Confident	80 Å²	80	60.8 Å²	60.8	56%	0.559	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-58.7	-29.5	172.5	51.5	0	0	0	0	113.2	Q316 F320 F321	Q316-S318 PolarHBondContact O-N 2.62Å; Q316-S318 VanDerWaalsContact O-N 3.14Å; S318-F320 PolarHBondContact O-N 3.38Å; S318-F321 PolarHBondContact O-N 3.41Å
319	T	82.4	Confident	85.5	Confident	37 Å²	37	58.1 Å²	58.1	23%	0.227	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-66.9	-20.8	-177	62.9	0	0	0	0	113.8	Q316 P317 F321 G322 R465	Q316-T319 HydrophobicContact CB-CG2 3.84Å; Q316-T319 WeakPolarHBondContact O-CB 3.3Å; Q316-T319 PolarHBondContact O-N 3.08Å; Q316-T319 PolarHBondContact O-OG1 3.15Å; P317-T319 PolarHBondContact O-N 3.43Å; T319-F321 VanDerWaalsContact C-N 3.34Å; T319-G322 PolarHBondContact O-N 2.89Å; T319-R465 PolarHBondContact O-NH1 3.47Å
320	F	79	Confident	85.9	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.026	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-71.8	-28.2	173	-68	-80.6	0	0	0	113.1	F305 H309 R312 F313 P317 S318 G322 R465 M466 L469	F305-F320 HydrophobicContact CZ-CE1 4.45Å; H309-F320 HydrophobicContact CB-CE1 3.96Å; H309-F320 HydrophobicContact CB-CZ 3.84Å; H309-F320 AromaticContact CD2-CE1 3.65Å; R312-F320 HydrophobicContact CB-CE2 3.73Å; R312-F320 HydrophobicContact CB-CZ 3.75Å; F313-F320 HydrophobicContact CB-CE2 4.47Å; F313-F320 AromaticContact CD1-CE2 3.62Å; F313-F320 HydrophobicContact CD1-CE2 3.62Å; F313-F320 AromaticContact CD1-CZ 3.68Å; F313-F320 HydrophobicContact CD1-CZ 3.68Å; F313-F320 HydrophobicContact CD2-CE2 4.38Å; F313-F320 AromaticContact CD2-CZ 3.7Å; F313-F320 HydrophobicContact CD2-CZ 3.7Å; F313-F320 HydrophobicContact CE1-CE1 4.27Å; F313-F320 AromaticContact CE1-CE2 3.85Å; F313-F320 HydrophobicContact CE1-CE2 3.85Å; F313-F320 AromaticContact CE1-CZ 3.65Å; F313-F320 HydrophobicContact CE1-CZ 3.65Å; F313-F320 HydrophobicContact CE2-CE1 4.17Å; F313-F320 AromaticContact CE2-CZ 3.68Å; F313-F320 HydrophobicContact CE2-CZ 3.68Å; F313-F320 AromaticContact CG-CE2 3.89Å; F313-F320 HydrophobicContact CG-CE2 3.89Å; F313-F320 AromaticContact CG-CZ 3.69Å; F313-F320 HydrophobicContact CG-CZ 3.69Å; F313-F320 AromaticContact CZ-CE1 3.99Å; F313-F320 HydrophobicContact CZ-CE1 3.99Å; F313-F320 HydrophobicContact CZ-CE2 4.33Å; F313-F320 AromaticContact CZ-CZ 3.65Å; F313-F320 HydrophobicContact CZ-CZ 3.65Å; P317-F320 WeakPolarHBondContact O-CD2 3.13Å; P317-F320 PolarHBondContact O-N 3.38Å; S318-F320 PolarHBondContact O-N 3.38Å; F320-G322 VanDerWaalsContact C-N 3.32Å; F320-R465 WeakPolarHBondContact O-CB 3.48Å; F320-M466 HydrophobicContact CB-CG 3.82Å; F320-M466 HydrophobicContact CB-SD 3.77Å; F320-M466 HydrophobicContact CD1-SD 4.02Å; F320-M466 HydrophobicContact CG-SD 4.16Å; F320-M466 WeakPolarHBondContact O-CG 3.2Å; F320-M466 PolarHBondContact O-N 3.4Å; F320-L469 HydrophobicContact CD1-CD1 3.72Å; F320-L469 HydrophobicContact CE1-CD1 4.09Å
321	F	81.1	Confident	86.3	Confident	122 Å²	122	59.5 Å²	59.5	54%	0.535	28%	0.276	S	S	.	.	S	Bend	trans	-85.3	-5.8	177.5	-58.2	-76.4	0	0	0	113	S318 T319 Y464 M466	S318-F321 PolarHBondContact O-N 3.41Å; T319-F321 VanDerWaalsContact C-N 3.34Å; F321-Y464 WeakPolarHBondContact O-CD1 3.32Å; F321-M466 HydrophobicContact CD1-CG 4.46Å; F321-M466 HydrophobicContact CE1-CG 4.37Å
322	G	86.3	Confident	86.7	Confident	23 Å²	23	55.8 Å²	55.8	24%	0.237	26%	0.257	C	S	.	.	S	Bend	trans	-63.7	168.4	164.3	0	0	0	0	0	112.6	T319 F320 R465	T319-G322 PolarHBondContact O-N 2.89Å; F320-G322 VanDerWaalsContact C-N 3.32Å; G322-R465 WeakPolarHBondContact O-CB 3.22Å; G322-R465 PolarHBondContact O-N 2.97Å
323	R	90.5	Very high	87.2	Confident	7 Å²	7	51.7 Å²	51.7	3%	0.026	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-93.4	161.6	-176.7	-63.7	-177.7	-179.3	-74.1	-8	113	Y351 D359 F462 Q463 Y464 R465	R323-Y351 PolarHBondContact O-OH 3.13Å; R323-D359 IonicContact NE-OD1 3.83Å; R323-F462 HydrophobicContact CB-CD1 3.89Å; R323-F462 HydrophobicContact CB-CD2 4.39Å; R323-F462 HydrophobicContact CB-CE1 3.47Å; R323-F462 VanDerWaalsContact CB-CE1 3.47Å; R323-F462 HydrophobicContact CB-CE2 4.03Å; R323-F462 HydrophobicContact CB-CG 4.32Å; R323-F462 HydrophobicContact CB-CZ 3.56Å; R323-F462 VanDerWaalsContact CD-CD1 3.41Å; R323-F462 VanDerWaalsContact CD-CE1 3.42Å; R323-F462 HydrophobicContact CG-CD1 4.27Å; R323-F462 HydrophobicContact CG-CE1 4.06Å; R323-F462 PolarHBondContact NH1-O 2.79Å; R323-Q463 CarbonylContact C-O 3.44Å; R323-Q463 WeakPolarHBondContact CA-O 3.45Å; R323-Y464 HydrophobicContact CG-CD1 4.42Å; R323-Y464 VanDerWaalsContact NH2-CZ 3.27Å; R323-Y464 PolarHBondContact NH2-OH 3.14Å; R323-R465 PolarHBondContact O-NH2 3.31Å; R323-R465 VanDerWaalsContact O-NH2 3.1Å
324	R	91.3	Very high	87.9	Confident	18 Å²	18	47.3 Å²	47.3	7%	0.068	22%	0.222	C	C	.	.			trans	-139.2	150.7	166.2	77.5	171.9	-165.9	174.2	1.1	109.9	F462 Q463 G468 E471 M826	R324-F462 CarbonylContact O-C 3.57Å; R324-Q463 HydrophobicContact CG-CG 4.14Å; R324-Q463 PolarHBondContact N-O 3.35Å; R324-Q463 PolarHBondContact O-N 2.94Å; R324-Q463 VanDerWaalsContact O-N 3.17Å; R324-Q463 VanDerWaalsContact O-O 3.06Å; R324-G468 VanDerWaalsContact CZ-CA 3.49Å; R324-G468 PolarHBondContact NH2-O 3.4Å; R324-E471 IonicContact NH2-OE2 3.11Å; R324-M826 PolarHBondContact NH1-SD 3.26Å
325	W	93.8	Very high	88.6	Confident	20 Å²	20	38.2 Å²	38.2	8%	0.076	19%	0.188	C	C	.	.			trans	-65.5	135.2	164.6	-65.2	107.4	0	0	0	110	A329 L333 L347 A350 A354 T434 I438 F458 L461 F462	W325-A329 HydrophobicContact CE3-CB 4.24Å; W325-L333 HydrophobicContact CE3-CD1 4.13Å; W325-L333 HydrophobicContact CZ3-CD1 3.88Å; W325-L347 HydrophobicContact CB-CD1 4.43Å; W325-L347 HydrophobicContact CB-CD2 3.88Å; W325-L347 HydrophobicContact CB-CG 4.33Å; W325-L347 VanDerWaalsContact CD1-CG 3.45Å; W325-L347 HydrophobicContact CD2-CD1 3.54Å; W325-L347 HydrophobicContact CD2-CG 4.05Å; W325-L347 HydrophobicContact CE3-CD1 4.04Å; W325-L347 HydrophobicContact CG-CD1 3.73Å; W325-L347 HydrophobicContact CG-CD2 3.82Å; W325-L347 HydrophobicContact CG-CG 3.71Å; W325-L347 HydrophobicContact CZ2-CD1 4.15Å; W325-L347 PolarHBondContact NE1-O 3.38Å; W325-A350 HydrophobicContact CH2-CB 4.47Å; W325-A350 HydrophobicContact CZ2-CB 3.78Å; W325-A354 HydrophobicContact CH2-CB 3.88Å; W325-A354 HydrophobicContact CZ2-CB 3.74Å; W325-T434 HydrophobicContact CH2-CG2 4.22Å; W325-I438 HydrophobicContact CH2-CG2 3.91Å; W325-I438 HydrophobicContact CZ2-CG2 4.3Å; W325-F458 HydrophobicContact CH2-CE2 4.34Å; W325-F458 AromaticContact CH2-CZ 3.93Å; W325-F458 HydrophobicContact CH2-CZ 3.93Å; W325-F458 HydrophobicContact CZ3-CE2 4.39Å; W325-F458 HydrophobicContact CZ3-CZ 4.17Å; W325-L461 WeakPolarHBondContact CA-O 3.44Å; W325-F462 AromaticContact CD1-CE2 3.95Å; W325-F462 AromaticContact CD2-CD2 3.48Å; W325-F462 HydrophobicContact CD2-CD2 3.48Å; W325-F462 VanDerWaalsContact CD2-CD2 3.48Å; W325-F462 AromaticContact CD2-CE2 3.93Å; W325-F462 HydrophobicContact CD2-CE2 3.93Å; W325-F462 HydrophobicContact CD2-CG 4.44Å; W325-F462 AromaticContact CE2-CD2 3.72Å; W325-F462 AromaticContact CE2-CE2 3.81Å; W325-F462 HydrophobicContact CE3-CB 4.15Å; W325-F462 AromaticContact CE3-CD2 3.72Å; W325-F462 HydrophobicContact CE3-CD2 3.72Å; W325-F462 HydrophobicContact CE3-CG 4.3Å; W325-F462 AromaticContact CG-CD2 3.86Å; W325-F462 HydrophobicContact CG-CD2 3.86Å; W325-F462 HydrophobicContact CG-CE2 4.04Å; W325-F462 HydrophobicContact CH2-CD2 4.38Å; W325-F462 HydrophobicContact CZ2-CD2 4.18Å; W325-F462 HydrophobicContact CZ2-CE2 4.37Å; W325-F462 HydrophobicContact CZ3-CB 4.1Å; W325-F462 HydrophobicContact CZ3-CD2 4.17Å; W325-F462 HydrophobicContact CZ3-CG 4.38Å; W325-F462 AromaticContact NE1-CE2 3.83Å
326	S	93	Very high	89.2	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.014	16%	0.159	C	C	.	.			trans	-72.7	156.1	-178.1	68.3	0	0	0	0	112.2	Y328 A329 R330 Q460 L461	S326-Y328 PolarHBondContact O-N 2.84Å; S326-A329 WeakPolarHBondContact O-CB 2.86Å; S326-A329 PolarHBondContact O-N 2.74Å; S326-A329 VanDerWaalsContact O-N 3.08Å; S326-A329 WeakPolarHBondContact OG-CB 2.97Å; S326-A329 PolarHBondContact OG-N 3.36Å; S326-R330 WeakPolarHBondContact O-CG 3.2Å; S326-R330 PolarHBondContact O-N 2.95Å; S326-Q460 WeakPolarHBondContact CB-O 3.32Å; S326-Q460 PolarHBondContact OG-O 2.99Å; S326-L461 PolarHBondContact N-O 3.03Å; S326-L461 PolarHBondContact OG-O 3.22Å
327	N	90.5	Very high	89.8	Confident	6 Å²	6	26.5 Å²	26.5	3%	0.032	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.2	172.3	-86	-17.9	0	0	0	111.8	L236 D238 R330 E472	L236-N327 WeakPolarHBondContact O-CB 3.43Å; D238-N327 PolarHBondContact OD1-ND2 2.93Å; D238-N327 PolarHBondContact OD2-ND2 3.07Å; N327-R330 WeakPolarHBondContact OD1-CD 3.3Å; N327-R330 PolarHBondContact OD1-NH1 3.28Å; N327-E472 PolarHBondContact ND2-OE1 3.21Å
328	Y	93.5	Very high	90.5	Very high	9 Å²	9	23.2 Å²	23.2	4%	0.035	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-49.8	164.7	173.6	-105.1	0	0	0	112.3	I214 V221 R222 V234 S326 R330 L331 Y332 L461	I214-Y328 HydrophobicContact CG2-CD2 4.13Å; I214-Y328 HydrophobicContact CG2-CE2 3.84Å; V221-Y328 HydrophobicContact CG2-CD2 4Å; V221-Y328 HydrophobicContact CG2-CE2 3.93Å; R222-Y328 PolarHBondContact NH2-OH 3.24Å; V234-Y328 HydrophobicContact CG1-CD1 4Å; V234-Y328 HydrophobicContact CG1-CD2 3.86Å; V234-Y328 HydrophobicContact CG1-CG 3.57Å; S326-Y328 PolarHBondContact O-N 2.84Å; Y328-R330 PolarHBondContact O-N 3.01Å; Y328-L331 PolarHBondContact O-N 2.79Å; Y328-Y332 HydrophobicContact CE1-CG 4.14Å; Y328-Y332 AromaticContact CZ-CD2 3.96Å; Y328-Y332 AromaticContact CZ-CG 3.99Å; Y328-Y332 WeakPolarHBondContact O-CB 3.14Å; Y328-Y332 PolarHBondContact O-N 3.46Å; Y328-Y332 WeakPolarHBondContact OH-CD2 3.39Å; Y328-L461 HydrophobicContact CD1-CD2 3.74Å; Y328-L461 HydrophobicContact CE1-CD2 3.74Å; Y328-L461 HydrophobicContact CE1-CG 4.45Å
329	A	93.3	Very high	91.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.1	-36.4	175.8	0	0	0	0	0	112.6	W325 S326 L331 L333 L461	W325-A329 HydrophobicContact CE3-CB 4.24Å; S326-A329 WeakPolarHBondContact O-CB 2.86Å; S326-A329 PolarHBondContact O-N 2.74Å; S326-A329 VanDerWaalsContact O-N 3.08Å; S326-A329 WeakPolarHBondContact OG-CB 2.97Å; S326-A329 PolarHBondContact OG-N 3.36Å; A329-L331 PolarHBondContact O-N 3.45Å; A329-L331 VanDerWaalsContact O-N 3.15Å; A329-L333 HydrophobicContact CB-CD1 3.97Å; A329-L333 HydrophobicContact CB-CG 4.35Å; A329-L333 VanDerWaalsContact O-CB 3.3Å; A329-L333 WeakPolarHBondContact O-CB 3.29Å; A329-L333 PolarHBondContact O-N 2.95Å; A329-L461 HydrophobicContact CB-CB 4.04Å; A329-L461 HydrophobicContact CB-CD2 3.58Å; A329-L461 HydrophobicContact CB-CG 4.44Å; A329-L461 WeakPolarHBondContact CB-O 3.44Å
330	R	93.6	Very high	92	Very high	77 Å²	77	20 Å²	20	29%	0.291	9%	0.091	S	C	.	.	H	α-helix	trans	-62.9	-13	176.4	-73.7	166.4	157.3	-173.7	-6.2	115	S326 N327 Y328 F343 L347	S326-R330 WeakPolarHBondContact O-CG 3.2Å; S326-R330 PolarHBondContact O-N 2.95Å; N327-R330 WeakPolarHBondContact OD1-CD 3.3Å; N327-R330 PolarHBondContact OD1-NH1 3.28Å; Y328-R330 PolarHBondContact O-N 3.01Å; R330-F343 HydrophobicContact CB-CE1 4.15Å; R330-F343 HydrophobicContact CG-CE1 4.12Å; R330-L347 HydrophobicContact CG-CD2 4.43Å
331	L	93.4	Very high	92.6	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.052	9%	0.092	C	C	.	.	H	α-helix	trans	-113	-42.8	172.4	-61.7	179.2	0	0	0	111.9	I211 I214 L236 L241 Y328 A329 R334	I211-L331 HydrophobicContact CG1-CD2 4.36Å; I214-L331 HydrophobicContact CG1-CB 4.44Å; I214-L331 HydrophobicContact CG1-CD1 4.03Å; I214-L331 HydrophobicContact CG2-CB 4.39Å; L236-L331 HydrophobicContact CD2-CD1 3.98Å; L241-L331 HydrophobicContact CD1-CD1 4.02Å; Y328-L331 PolarHBondContact O-N 2.79Å; A329-L331 PolarHBondContact O-N 3.45Å; A329-L331 VanDerWaalsContact O-N 3.15Å; L331-R334 PolarHBondContact O-N 3Å
332	Y	92.5	Very high	93.1	Very high	61 Å²	61	15 Å²	15	24%	0.239	7%	0.069	C	C	.	.	H	α-helix	trans	-65.5	-43.8	-179.1	-178.1	-98.3	0	0	0	112.8	Y328 R334 L461 K597	Y328-Y332 HydrophobicContact CE1-CG 4.14Å; Y328-Y332 AromaticContact CZ-CD2 3.96Å; Y328-Y332 AromaticContact CZ-CG 3.99Å; Y328-Y332 WeakPolarHBondContact O-CB 3.14Å; Y328-Y332 PolarHBondContact O-N 3.46Å; Y328-Y332 WeakPolarHBondContact OH-CD2 3.39Å; Y332-R334 VanDerWaalsContact C-N 3.25Å; Y332-R334 PolarHBondContact O-N 2.69Å; Y332-L461 HydrophobicContact CD1-CD2 3.85Å; Y332-L461 HydrophobicContact CG-CD2 4.47Å; Y332-K597 PolarHBondContact O-NZ 2.87Å
333	L	93.8	Very high	93.5	Very high	2 Å²	2	14 Å²	14	1%	0.01	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	2.6	-179.6	-57.1	177.5	0	0	0	113.8	W325 A329 F343 R346 L347 I438 Y440 L461	W325-L333 HydrophobicContact CE3-CD1 4.13Å; W325-L333 HydrophobicContact CZ3-CD1 3.88Å; A329-L333 HydrophobicContact CB-CD1 3.97Å; A329-L333 HydrophobicContact CB-CG 4.35Å; A329-L333 VanDerWaalsContact O-CB 3.3Å; A329-L333 WeakPolarHBondContact O-CB 3.29Å; A329-L333 PolarHBondContact O-N 2.95Å; L333-F343 HydrophobicContact CB-CE2 4.34Å; L333-R346 PolarHBondContact O-NH2 3.39Å; L333-L347 HydrophobicContact CD1-CD1 4.32Å; L333-I438 HydrophobicContact CD1-CB 4.2Å; L333-I438 HydrophobicContact CD1-CD1 4.07Å; L333-I438 HydrophobicContact CD1-CG2 4.23Å; L333-I438 HydrophobicContact CD2-CB 4.44Å; L333-I438 HydrophobicContact CD2-CD1 3.95Å; L333-I438 HydrophobicContact CD2-CG1 4.49Å; L333-Y440 HydrophobicContact CB-CD2 4.42Å; L333-Y440 HydrophobicContact CD2-CD2 4.42Å; L333-Y440 WeakPolarHBondContact O-CD2 3.34Å; L333-Y440 VanDerWaalsContact O-CE2 3.28Å; L333-Y440 WeakPolarHBondContact O-CE2 3.29Å; L333-L461 HydrophobicContact CD1-CD2 4.44Å; L333-L461 HydrophobicContact CD2-CD2 4.44Å; L333-L461 HydrophobicContact CG-CD2 4.23Å
334	R	94.6	Very high	93.6	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.011	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-94.1	134.7	-175.8	-166.3	-177.6	-177.4	112.2	2.3	111.2	I211 L331 Y332 E338 L339 F343 K597	I211-R334 HydrophobicContact CD1-CB 4.42Å; I211-R334 HydrophobicContact CD1-CG 4.14Å; L331-R334 PolarHBondContact O-N 3Å; Y332-R334 VanDerWaalsContact C-N 3.25Å; Y332-R334 PolarHBondContact O-N 2.69Å; R334-E338 WeakPolarHBondContact CA-OE2 3.33Å; R334-E338 HydrophobicContact CG-CB 4.42Å; R334-E338 VanDerWaalsContact CG-OE2 3.28Å; R334-E338 WeakPolarHBondContact CG-OE2 3.43Å; R334-E338 VanDerWaalsContact CZ-O 3.28Å; R334-E338 PolarHBondContact NE-O 2.65Å; R334-E338 VanDerWaalsContact NE-O 3.15Å; R334-E338 PolarHBondContact NH2-O 2.8Å; R334-L339 PolarHBondContact NH2-O 3.36Å; R334-F343 HydrophobicContact CB-CD2 3.98Å; R334-F343 HydrophobicContact CB-CE2 3.84Å; R334-F343 HydrophobicContact CB-CZ 4.35Å; R334-F343 HydrophobicContact CG-CD2 3.82Å; R334-F343 HydrophobicContact CG-CE2 4.21Å; R334-F343 HydrophobicContact CG-CG 4.12Å; R334-K597 WeakPolarHBondContact O-CE 3.35Å; R334-K597 PolarHBondContact O-NZ 3.03Å
335	H	94.5	Very high	93.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-71.3	158.2	173.1	-64.5	-78.6	0	0	0	111.3	E338 R346 H439 Y440 S601 H604	H335-E338 HydrophobicContact CB-CB 3.9Å; H335-E338 IonicContact CD2-OE1 3.6Å; H335-E338 IonicContact CD2-OE2 2.75Å; H335-E338 PolarHBondContact CD2-OE2 2.78Å; H335-E338 IonicContact CG-OE2 3.42Å; H335-E338 PolarHBondContact N-OE2 3.05Å; H335-R346 PolarHBondContact CD2-NH2 2.94Å; H335-R346 VanDerWaalsContact CD2-NH2 3.26Å; H335-H439 AromaticContact CD2-ND1 3.96Å; H335-H439 AromaticContact CE1-ND1 3.64Å; H335-H439 AromaticContact NE2-CE1 3.94Å; H335-H439 AromaticContact NE2-CG 3.68Å; H335-H439 AromaticContact NE2-ND1 2.87Å; H335-H439 PolarHBondContact NE2-ND1 3.05Å; H335-Y440 AromaticContact CE1-CE2 3.74Å; H335-Y440 AromaticContact CE1-CZ 3.73Å; H335-Y440 PolarHBondContact CE1-OH 2.97Å; H335-Y440 AromaticContact ND1-CZ 3.75Å; H335-Y440 PolarHBondContact ND1-OH 3.15Å; H335-Y440 AromaticContact NE2-CE2 3.98Å; H335-S601 WeakPolarHBondContact CA-OG 3.1Å; H335-S601 WeakPolarHBondContact CB-OG 3.17Å; H335-S601 PolarHBondContact ND1-OG 3.27Å; H335-H604 AromaticContact CD2-CD2 3.4Å; H335-H604 PolarHBondContact CD2-CD2 3.01Å; H335-H604 AromaticContact CG-CD2 3.68Å
336	F	95.6	Very high	93.5	Very high	2 Å²	2	15 Å²	15	1%	0.009	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	138.9	162.8	-64.7	-67.9	0	0	0	109	N208 I211 A212 N215 E338 F514 L517 K597 I598 S601	N208-F336 HydrophobicContact CB-CD1 4.47Å; I211-F336 HydrophobicContact CB-CD1 4.44Å; I211-F336 HydrophobicContact CB-CE1 4.08Å; I211-F336 HydrophobicContact CG2-CD1 4.03Å; I211-F336 HydrophobicContact CG2-CE1 3.66Å; I211-F336 HydrophobicContact CG2-CZ 4.13Å; A212-F336 HydrophobicContact CB-CE1 3.88Å; A212-F336 HydrophobicContact CB-CZ 4.03Å; N215-F336 WeakPolarHBondContact ND2-CZ 3.42Å; F336-E338 VanDerWaalsContact C-N 3.28Å; F336-E338 PolarHBondContact O-N 3.1Å; F336-F514 HydrophobicContact CD1-CB 4.27Å; F336-F514 HydrophobicContact CD2-CB 4.16Å; F336-F514 HydrophobicContact CE1-CB 3.78Å; F336-F514 HydrophobicContact CE2-CB 3.65Å; F336-F514 HydrophobicContact CE2-CG 4.35Å; F336-F514 HydrophobicContact CG-CB 4.45Å; F336-F514 HydrophobicContact CZ-CB 3.43Å; F336-F514 VanDerWaalsContact CZ-CB 3.43Å; F336-F514 HydrophobicContact CZ-CG 4.01Å; F336-L517 HydrophobicContact CB-CD2 4.05Å; F336-K597 HydrophobicContact CD2-CG 4.31Å; F336-K597 HydrophobicContact CE2-CG 3.93Å; F336-I598 HydrophobicContact CD2-CD1 4.02Å; F336-I598 HydrophobicContact CE2-CD1 4.13Å; F336-S601 PolarHBondContact N-OG 3.2Å; F336-S601 VanDerWaalsContact N-OG 3.14Å
337	N	96.1	Very high	93.4	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.011	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	30.3	-177.4	-54.2	-37.7	0	0	0	115.7	L197 Y200 N201 N208 A515 F605	L197-N337 WeakPolarHBondContact CD1-ND2 3.14Å; Y200-N337 HydrophobicContact CD1-CB 4.31Å; Y200-N337 WeakPolarHBondContact CD1-O 3.34Å; Y200-N337 VanDerWaalsContact CE1-O 3.31Å; Y200-N337 WeakPolarHBondContact CE1-O 3.45Å; N201-N337 PolarHBondContact OD1-OD1 2.8Å; N208-N337 PolarHBondContact ND2-OD1 3.13Å; N208-N337 PolarHBondContact OD1-N 2.79Å; N337-A515 PolarHBondContact ND2-O 3.49Å; N337-F605 HydrophobicContact CB-CD2 3.77Å; N337-F605 HydrophobicContact CB-CE2 3.95Å
338	E	95.1	Very high	93.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.088	C	C	.	.			trans	-97.1	126.6	166.5	177.4	-176.6	-154.2	0	0	109.3	L204 R334 H335 F336 E342 F343 R346 H604	L204-E338 WeakPolarHBondContact CD1-O 3.39Å; R334-E338 WeakPolarHBondContact CA-OE2 3.33Å; R334-E338 HydrophobicContact CG-CB 4.42Å; R334-E338 VanDerWaalsContact CG-OE2 3.28Å; R334-E338 WeakPolarHBondContact CG-OE2 3.43Å; R334-E338 VanDerWaalsContact CZ-O 3.28Å; R334-E338 PolarHBondContact NE-O 2.65Å; R334-E338 VanDerWaalsContact NE-O 3.15Å; R334-E338 PolarHBondContact NH2-O 2.8Å; H335-E338 HydrophobicContact CB-CB 3.9Å; H335-E338 IonicContact CD2-OE1 3.6Å; H335-E338 IonicContact CD2-OE2 2.75Å; H335-E338 PolarHBondContact CD2-OE2 2.78Å; H335-E338 IonicContact CG-OE2 3.42Å; H335-E338 PolarHBondContact N-OE2 3.05Å; F336-E338 VanDerWaalsContact C-N 3.28Å; F336-E338 PolarHBondContact O-N 3.1Å; E338-E342 HydrophobicContact CG-CB 4.02Å; E338-F343 HydrophobicContact CG-CB 3.9Å; E338-F343 VanDerWaalsContact OE1-CA 3.3Å; E338-F343 WeakPolarHBondContact OE1-CA 3.28Å; E338-F343 WeakPolarHBondContact OE2-CD2 3.29Å; E338-R346 VanDerWaalsContact CD-NH2 3.31Å; E338-R346 IonicContact OE1-CZ 3.83Å; E338-R346 VanDerWaalsContact OE1-CZ 3.24Å; E338-R346 IonicContact OE1-NE 3.59Å; E338-R346 PolarHBondContact OE1-NE 3.39Å; E338-R346 IonicContact OE1-NH2 2.77Å; E338-R346 PolarHBondContact OE1-NH2 2.93Å; E338-R346 IonicContact OE2-NH2 2.62Å; E338-R346 PolarHBondContact OE2-NH2 2.81Å; E338-H604 IonicContact OE1-NE2 3.5Å
339	L	95.9	Very high	93.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.1	C	C	.	.			trans	-75.7	176.1	179.2	-68.5	165.6	0	0	0	111.4	Y52 W171 Y200 I203 L204 R334 E342 F343	Y52-L339 HydrophobicContact CD2-CD1 4.28Å; Y52-L339 HydrophobicContact CD2-CD2 4.11Å; Y52-L339 HydrophobicContact CE2-CB 3.97Å; Y52-L339 HydrophobicContact CE2-CD1 3.84Å; Y52-L339 HydrophobicContact CE2-CD2 3.78Å; Y52-L339 HydrophobicContact CE2-CG 4.09Å; W171-L339 VanDerWaalsContact CD1-CD1 3.49Å; W171-L339 HydrophobicContact CG-CD1 4.29Å; W171-L339 VanDerWaalsContact NE1-CD1 3.28Å; Y200-L339 HydrophobicContact CD1-CD1 3.89Å; Y200-L339 HydrophobicContact CD1-CD2 4.22Å; Y200-L339 HydrophobicContact CD1-CG 3.68Å; Y200-L339 HydrophobicContact CE1-CD1 3.38Å; Y200-L339 HydrophobicContact CE1-CD2 4.47Å; Y200-L339 HydrophobicContact CE1-CG 3.49Å; Y200-L339 VanDerWaalsContact CE1-CG 3.49Å; Y200-L339 HydrophobicContact CE2-CD1 4.36Å; I203-L339 HydrophobicContact CB-CD2 4.39Å; I203-L339 HydrophobicContact CG2-CD2 3.73Å; L204-L339 HydrophobicContact CD1-CD2 3.9Å; L204-L339 HydrophobicContact CD1-CG 4.29Å; L204-L339 HydrophobicContact CD2-CD2 4.13Å; L204-L339 HydrophobicContact CG-CD2 3.99Å; R334-L339 PolarHBondContact NH2-O 3.36Å; L339-E342 WeakPolarHBondContact CB-OE1 3.49Å; L339-E342 WeakPolarHBondContact CD1-OE1 3.47Å; L339-E342 PolarHBondContact N-OE2 2.73Å; L339-F343 WeakPolarHBondContact O-CB 3.42Å; L339-F343 PolarHBondContact O-N 3.39Å
340	Q	94.1	Very high	93.4	Very high	50 Å²	50	22.8 Å²	22.8	23%	0.234	10%	0.1	C	C	.	.	H	α-helix	trans	-72	-39.9	-171.9	-172.8	62.7	21.6	0	0	112.3	Y52 E344	Y52-Q340 WeakPolarHBondContact OH-CB 3.44Å; Y52-Q340 PolarHBondContact OH-N 2.94Å; Y52-Q340 VanDerWaalsContact OH-N 3.09Å; Q340-E344 PolarHBondContact NE2-OE1 2.86Å; Q340-E344 WeakPolarHBondContact O-CB 3.48Å; Q340-E344 WeakPolarHBondContact O-CG 3.03Å; Q340-E344 PolarHBondContact O-N 3.03Å
341	H	92.2	Very high	93.4	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.046	10%	0.101	C	C	.	.	H	α-helix	trans	-75	-39.8	-175.2	68.2	-71	0	0	0	112.5	Y52 Q56 W171 E344 T345	Y52-H341 AromaticContact CE2-ND1 3.76Å; Y52-H341 AromaticContact CZ-ND1 3.9Å; Y52-H341 PolarHBondContact OH-N 3.34Å; Y52-H341 PolarHBondContact OH-ND1 3.06Å; Y52-H341 VanDerWaalsContact OH-ND1 3.12Å; Q56-H341 PolarHBondContact NE2-ND1 3.15Å; W171-H341 AromaticContact CG-CE1 3.92Å; H341-E344 PolarHBondContact O-N 3.41Å; H341-T345 WeakPolarHBondContact O-CB 3.37Å; H341-T345 PolarHBondContact O-N 3.43Å; H341-T345 PolarHBondContact O-OG1 2.87Å
342	E	92.4	Very high	93.3	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-52.6	-59.3	168.2	-71.1	144.2	-142.5	0	0	111.1	E338 L339 E344 T345 R346 T608	E338-E342 HydrophobicContact CG-CB 4.02Å; L339-E342 WeakPolarHBondContact CB-OE1 3.49Å; L339-E342 WeakPolarHBondContact CD1-OE1 3.47Å; L339-E342 PolarHBondContact N-OE2 2.73Å; E342-E344 VanDerWaalsContact C-N 3.34Å; E342-E344 PolarHBondContact O-N 3.02Å; E342-T345 WeakPolarHBondContact O-CB 3.17Å; E342-T345 PolarHBondContact O-N 3.24Å; E342-T345 VanDerWaalsContact O-N 3.14Å; E342-R346 PolarHBondContact O-N 2.76Å; E342-R346 VanDerWaalsContact O-N 3.09Å; E342-T608 HydrophobicContact CG-CG2 4.44Å
343	F	94.6	Very high	93.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-56.7	-45.4	-179.6	-179	-110.2	0	0	0	112.6	R330 L333 R334 E338 L339 T345 L347	R330-F343 HydrophobicContact CB-CE1 4.15Å; R330-F343 HydrophobicContact CG-CE1 4.12Å; L333-F343 HydrophobicContact CB-CE2 4.34Å; R334-F343 HydrophobicContact CB-CD2 3.98Å; R334-F343 HydrophobicContact CB-CE2 3.84Å; R334-F343 HydrophobicContact CB-CZ 4.35Å; R334-F343 HydrophobicContact CG-CD2 3.82Å; R334-F343 HydrophobicContact CG-CE2 4.21Å; R334-F343 HydrophobicContact CG-CG 4.12Å; E338-F343 HydrophobicContact CG-CB 3.9Å; E338-F343 VanDerWaalsContact OE1-CA 3.3Å; E338-F343 WeakPolarHBondContact OE1-CA 3.28Å; E338-F343 WeakPolarHBondContact OE2-CD2 3.29Å; L339-F343 WeakPolarHBondContact O-CB 3.42Å; L339-F343 PolarHBondContact O-N 3.39Å; F343-T345 PolarHBondContact O-N 3.36Å; F343-L347 HydrophobicContact CE1-CD2 3.72Å; F343-L347 HydrophobicContact CZ-CD1 4.3Å; F343-L347 HydrophobicContact CZ-CD2 3.84Å; F343-L347 HydrophobicContact CZ-CG 4.48Å; F343-L347 WeakPolarHBondContact O-CB 3.16Å; F343-L347 PolarHBondContact O-N 2.95Å
344	E	92	Very high	93.3	Very high	33 Å²	33	24.6 Å²	24.6	15%	0.154	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-36.7	178.7	-83.2	-171.9	-146.8	0	0	113.2	Q340 H341 E342 L347 K348	Q340-E344 PolarHBondContact NE2-OE1 2.86Å; Q340-E344 WeakPolarHBondContact O-CB 3.48Å; Q340-E344 WeakPolarHBondContact O-CG 3.03Å; Q340-E344 PolarHBondContact O-N 3.03Å; H341-E344 PolarHBondContact O-N 3.41Å; E342-E344 VanDerWaalsContact C-N 3.34Å; E342-E344 PolarHBondContact O-N 3.02Å; E344-L347 PolarHBondContact O-N 2.81Å; E344-K348 VanDerWaalsContact O-CB 3.27Å; E344-K348 WeakPolarHBondContact O-CB 3.28Å; E344-K348 WeakPolarHBondContact O-CD 3.37Å; E344-K348 WeakPolarHBondContact O-CG 3.3Å; E344-K348 PolarHBondContact O-N 2.99Å; E344-K348 IonicContact OE2-NZ 3.78Å; E344-K348 PolarHBondContact OE2-NZ 2.83Å
345	T	90.1	Very high	93.1	Very high	16 Å²	16	25.6 Å²	25.6	10%	0.098	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-50.9	178.5	-59.8	0	0	0	0	109.9	H341 E342 F343 L347 K348 Q349 Q832 I838	H341-T345 WeakPolarHBondContact O-CB 3.37Å; H341-T345 PolarHBondContact O-N 3.43Å; H341-T345 PolarHBondContact O-OG1 2.87Å; E342-T345 WeakPolarHBondContact O-CB 3.17Å; E342-T345 PolarHBondContact O-N 3.24Å; E342-T345 VanDerWaalsContact O-N 3.14Å; F343-T345 PolarHBondContact O-N 3.36Å; T345-L347 PolarHBondContact O-N 3.26Å; T345-K348 PolarHBondContact O-N 3.21Å; T345-Q349 WeakPolarHBondContact O-CG 3.37Å; T345-Q349 PolarHBondContact O-N 3.43Å; T345-Q832 PolarHBondContact OG1-NE2 2.97Å; T345-I838 HydrophobicContact CG2-CD1 3.8Å; T345-I838 HydrophobicContact CG2-CG1 3.64Å
346	R	92.2	Very high	93	Very high	17 Å²	17	33.3 Å²	33.3	6%	0.064	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-43.8	176	-174	166.4	68.3	89.2	-2.4	112.6	L333 H335 E338 E342 Q349 A350 R437 I438 H439	L333-R346 PolarHBondContact O-NH2 3.39Å; H335-R346 PolarHBondContact CD2-NH2 2.94Å; H335-R346 VanDerWaalsContact CD2-NH2 3.26Å; E338-R346 VanDerWaalsContact CD-NH2 3.31Å; E338-R346 IonicContact OE1-CZ 3.83Å; E338-R346 VanDerWaalsContact OE1-CZ 3.24Å; E338-R346 IonicContact OE1-NE 3.59Å; E338-R346 PolarHBondContact OE1-NE 3.39Å; E338-R346 IonicContact OE1-NH2 2.77Å; E338-R346 PolarHBondContact OE1-NH2 2.93Å; E338-R346 IonicContact OE2-NH2 2.62Å; E338-R346 PolarHBondContact OE2-NH2 2.81Å; E342-R346 PolarHBondContact O-N 2.76Å; E342-R346 VanDerWaalsContact O-N 3.09Å; R346-Q349 PolarHBondContact O-N 3.08Å; R346-A350 PolarHBondContact O-N 2.97Å; R346-A350 VanDerWaalsContact O-N 3.13Å; R346-R437 WeakPolarHBondContact CD-O 3.38Å; R346-R437 WeakPolarHBondContact CG-O 3.27Å; R346-R437 PolarHBondContact NH1-O 2.73Å; R346-I438 PolarHBondContact NH1-O 3.08Å; R346-H439 WeakPolarHBondContact CD-CE1 3.31Å; R346-H439 PolarHBondContact NH1-ND1 2.64Å
347	L	91.8	Very high	92.8	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-72.3	-29.5	179.9	-164.6	70.5	0	0	0	113.3	W325 R330 L333 F343 E344 T345 Y351	W325-L347 HydrophobicContact CB-CD1 4.43Å; W325-L347 HydrophobicContact CB-CD2 3.88Å; W325-L347 HydrophobicContact CB-CG 4.33Å; W325-L347 VanDerWaalsContact CD1-CG 3.45Å; W325-L347 HydrophobicContact CD2-CD1 3.54Å; W325-L347 HydrophobicContact CD2-CG 4.05Å; W325-L347 HydrophobicContact CE3-CD1 4.04Å; W325-L347 HydrophobicContact CG-CD1 3.73Å; W325-L347 HydrophobicContact CG-CD2 3.82Å; W325-L347 HydrophobicContact CG-CG 3.71Å; W325-L347 HydrophobicContact CZ2-CD1 4.15Å; W325-L347 PolarHBondContact NE1-O 3.38Å; R330-L347 HydrophobicContact CG-CD2 4.43Å; L333-L347 HydrophobicContact CD1-CD1 4.32Å; F343-L347 HydrophobicContact CE1-CD2 3.72Å; F343-L347 HydrophobicContact CZ-CD1 4.3Å; F343-L347 HydrophobicContact CZ-CD2 3.84Å; F343-L347 HydrophobicContact CZ-CG 4.48Å; F343-L347 WeakPolarHBondContact O-CB 3.16Å; F343-L347 PolarHBondContact O-N 2.95Å; E344-L347 PolarHBondContact O-N 2.81Å; T345-L347 PolarHBondContact O-N 3.26Å; L347-Y351 PolarHBondContact O-N 3.18Å
348	K	92.6	Very high	92.6	Very high	100 Å²	100	33.1 Å²	33.1	44%	0.435	15%	0.15	S	C	.	.	H	α-helix	trans	-69.6	-45.8	171.2	-74.3	163.2	-166.1	171.5	0	110.7	E344 T345 A350 Y351	E344-K348 VanDerWaalsContact O-CB 3.27Å; E344-K348 WeakPolarHBondContact O-CB 3.28Å; E344-K348 WeakPolarHBondContact O-CD 3.37Å; E344-K348 WeakPolarHBondContact O-CG 3.3Å; E344-K348 PolarHBondContact O-N 2.99Å; E344-K348 IonicContact OE2-NZ 3.78Å; E344-K348 PolarHBondContact OE2-NZ 2.83Å; T345-K348 PolarHBondContact O-N 3.21Å; K348-A350 PolarHBondContact O-N 3.39Å; K348-Y351 VanDerWaalsContact O-CB 3.3Å; K348-Y351 WeakPolarHBondContact O-CB 3.37Å; K348-Y351 PolarHBondContact O-N 3.42Å
349	Q	91	Very high	92.2	Very high	64 Å²	64	37.1 Å²	37.1	30%	0.299	17%	0.171	S	C	.	.	H	α-helix	trans	-58.3	-32.5	174.4	-69.5	166.4	-17.3	0	0	112.8	T345 R346 R437	T345-Q349 WeakPolarHBondContact O-CG 3.37Å; T345-Q349 PolarHBondContact O-N 3.43Å; R346-Q349 PolarHBondContact O-N 3.08Å; Q349-R437 WeakPolarHBondContact O-CD 3.43Å; Q349-R437 PolarHBondContact O-NH1 3.14Å
350	A	92.6	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.5	176.5	0	0	0	0	0	114.8	W325 R346 K348 I352 P353 A354 R437 I438	W325-A350 HydrophobicContact CH2-CB 4.47Å; W325-A350 HydrophobicContact CZ2-CB 3.78Å; R346-A350 PolarHBondContact O-N 2.97Å; R346-A350 VanDerWaalsContact O-N 3.13Å; K348-A350 PolarHBondContact O-N 3.39Å; A350-I352 PolarHBondContact O-N 2.85Å; A350-P353 WeakPolarHBondContact O-CD 3.27Å; A350-P353 WeakPolarHBondContact O-CG 3.42Å; A350-A354 WeakPolarHBondContact O-CB 3.34Å; A350-A354 PolarHBondContact O-N 3.25Å; A350-A354 VanDerWaalsContact O-N 3.13Å; A350-R437 HydrophobicContact CB-CB 3.95Å; A350-I438 HydrophobicContact CB-CG2 3.59Å
351	Y	93.5	Very high	91.6	Very high	79 Å²	79	36.9 Å²	36.9	31%	0.31	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-45.1	-170.6	179.5	-88	0	0	0	114	R323 L347 K348 A354 S355 F462	R323-Y351 PolarHBondContact O-OH 3.13Å; L347-Y351 PolarHBondContact O-N 3.18Å; K348-Y351 VanDerWaalsContact O-CB 3.3Å; K348-Y351 WeakPolarHBondContact O-CB 3.37Å; K348-Y351 PolarHBondContact O-N 3.42Å; Y351-A354 PolarHBondContact O-N 3.44Å; Y351-S355 PolarHBondContact O-N 2.94Å; Y351-F462 AromaticContact CD2-CE2 3.65Å; Y351-F462 HydrophobicContact CD2-CE2 3.65Å; Y351-F462 AromaticContact CD2-CZ 3.56Å; Y351-F462 HydrophobicContact CD2-CZ 3.56Å; Y351-F462 AromaticContact CE2-CE2 3.85Å; Y351-F462 HydrophobicContact CE2-CE2 3.85Å; Y351-F462 AromaticContact CE2-CZ 3.59Å; Y351-F462 HydrophobicContact CE2-CZ 3.59Å; Y351-F462 HydrophobicContact CG-CZ 4.25Å
352	I	91.8	Very high	91.2	Very high	102 Å²	102	39 Å²	39	52%	0.523	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-51.2	-176.4	-59.4	177.8	0	0	0	112.3	A350 A354 S355 R356	A350-I352 PolarHBondContact O-N 2.85Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.44Å; I352-S355 PolarHBondContact O-N 3.42Å; I352-R356 PolarHBondContact O-N 3.35Å
353	P	92	Very high	91	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-33.6	175.7	26.6	-34.3	0	0	0	112.2	A350 S355 R356 Y357 T434	A350-P353 WeakPolarHBondContact O-CD 3.27Å; A350-P353 WeakPolarHBondContact O-CG 3.42Å; P353-S355 PolarHBondContact O-N 3.21Å; P353-R356 PolarHBondContact O-N 3.05Å; P353-Y357 WeakPolarHBondContact O-CB 3.24Å; P353-Y357 PolarHBondContact O-N 3.31Å; P353-T434 VanDerWaalsContact C-OG1 3.27Å; P353-T434 WeakPolarHBondContact CB-OG1 3.49Å
354	A	93.7	Very high	90.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-38.3	176.5	0	0	0	0	0	113.4	W325 A350 Y351 I352 L358 T434 F458 F462	W325-A354 HydrophobicContact CH2-CB 3.88Å; W325-A354 HydrophobicContact CZ2-CB 3.74Å; A350-A354 WeakPolarHBondContact O-CB 3.34Å; A350-A354 PolarHBondContact O-N 3.25Å; A350-A354 VanDerWaalsContact O-N 3.13Å; Y351-A354 PolarHBondContact O-N 3.44Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.44Å; A354-L358 PolarHBondContact O-N 2.89Å; A354-T434 HydrophobicContact CB-CG2 3.81Å; A354-T434 PolarHBondContact N-OG1 2.93Å; A354-F458 HydrophobicContact CB-CE1 4.18Å; A354-F458 HydrophobicContact CB-CZ 3.85Å; A354-F462 HydrophobicContact CB-CD1 3.82Å; A354-F462 HydrophobicContact CB-CE1 3.77Å; A354-F462 HydrophobicContact CB-CG 4.3Å; A354-F462 HydrophobicContact CB-CZ 4.17Å
355	S	92.2	Very high	90.8	Very high	24 Å²	24	53.6 Å²	53.6	17%	0.168	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-57.6	173.5	-155.1	0	0	0	0	109.9	Y351 I352 P353 Y357 L358 D359	Y351-S355 PolarHBondContact O-N 2.94Å; I352-S355 PolarHBondContact O-N 3.42Å; P353-S355 PolarHBondContact O-N 3.21Å; S355-Y357 CarbonylContact O-C 3.02Å; S355-Y357 PolarHBondContact O-N 3.45Å; S355-L358 PolarHBondContact O-N 3.39Å; S355-D359 WeakPolarHBondContact CB-OD2 3.34Å; S355-D359 WeakPolarHBondContact O-CB 3.12Å; S355-D359 PolarHBondContact O-N 2.68Å; S355-D359 PolarHBondContact OG-OD2 3.49Å
356	R	90.6	Very high	90.9	Very high	161 Å²	161	56.3 Å²	56.3	61%	0.608	27%	0.271	S	S	*	.	H	α-helix	trans	-53	-35.8	179.8	-67.9	179.7	-179.4	179.3	0.9	112.6	I352 P353 S360 L430	I352-R356 PolarHBondContact O-N 3.35Å; P353-R356 PolarHBondContact O-N 3.05Å; R356-S360 PolarHBondContact O-N 3.09Å; R356-L430 HydrophobicContact CB-CD1 4.13Å; R356-L430 HydrophobicContact CB-CD2 3.92Å
357	Y	92.3	Very high	90.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-57.7	171.6	173.6	-112.4	0	0	0	112.4	P353 S355 D359 S360 F361 P427 L430 L431 A449 F458	P353-Y357 WeakPolarHBondContact O-CB 3.24Å; P353-Y357 PolarHBondContact O-N 3.31Å; S355-Y357 CarbonylContact O-C 3.02Å; S355-Y357 PolarHBondContact O-N 3.45Å; Y357-D359 VanDerWaalsContact C-N 3.31Å; Y357-D359 PolarHBondContact O-N 3.37Å; Y357-S360 WeakPolarHBondContact O-CB 3.18Å; Y357-S360 PolarHBondContact O-N 3.43Å; Y357-S360 PolarHBondContact O-OG 3.34Å; Y357-F361 HydrophobicContact CD2-CE2 4.05Å; Y357-F361 HydrophobicContact CE1-CE2 4.05Å; Y357-F361 AromaticContact CE2-CE2 3.5Å; Y357-F361 HydrophobicContact CE2-CE2 3.5Å; Y357-F361 VanDerWaalsContact CE2-CE2 3.5Å; Y357-F361 AromaticContact CE2-CZ 3.83Å; Y357-F361 HydrophobicContact CE2-CZ 3.83Å; Y357-F361 AromaticContact CZ-CE2 3.49Å; Y357-F361 VanDerWaalsContact CZ-CE2 3.49Å; Y357-F361 AromaticContact CZ-CZ 3.75Å; Y357-F361 VanDerWaalsContact O-CD2 3.31Å; Y357-F361 WeakPolarHBondContact O-CD2 3.35Å; Y357-F361 WeakPolarHBondContact O-CE2 3.45Å; Y357-F361 WeakPolarHBondContact OH-CZ 3.24Å; Y357-P427 HydrophobicContact CD2-CB 4.19Å; Y357-P427 WeakPolarHBondContact CD2-O 3.45Å; Y357-P427 HydrophobicContact CE2-CB 3.99Å; Y357-L430 HydrophobicContact CD2-CB 4.49Å; Y357-L431 HydrophobicContact CD1-CD1 4.04Å; Y357-L431 HydrophobicContact CD2-CB 3.7Å; Y357-L431 HydrophobicContact CD2-CD1 4.48Å; Y357-L431 HydrophobicContact CE1-CD1 3.83Å; Y357-L431 HydrophobicContact CE2-CB 3.67Å; Y357-L431 HydrophobicContact CE2-CD1 4.27Å; Y357-L431 HydrophobicContact CE2-CD2 4.04Å; Y357-L431 HydrophobicContact CE2-CG 4.18Å; Y357-L431 HydrophobicContact CG-CB 4.25Å; Y357-L431 HydrophobicContact CG-CD1 4.37Å; Y357-A449 WeakPolarHBondContact CE2-O 3.44Å; Y357-A449 PolarHBondContact OH-O 2.87Å; Y357-F458 AromaticContact CD1-CD1 3.74Å; Y357-F458 HydrophobicContact CD1-CD1 3.74Å; Y357-F458 AromaticContact CD1-CE1 3.91Å; Y357-F458 HydrophobicContact CD1-CE1 3.91Å; Y357-F458 HydrophobicContact CD1-CG 4.33Å; Y357-F458 HydrophobicContact CE1-CB 4.29Å; Y357-F458 AromaticContact CE1-CD1 3.84Å; Y357-F458 HydrophobicContact CE1-CD1 3.84Å; Y357-F458 HydrophobicContact CE1-CE1 4.45Å; Y357-F458 HydrophobicContact CE1-CG 4.07Å
358	L	91.3	Very high	91	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-70.9	-26.4	-177.7	-76.9	-173.9	0	0	0	114	A354 S355 S360 F361 R455 F458 F462	A354-L358 PolarHBondContact O-N 2.89Å; S355-L358 PolarHBondContact O-N 3.39Å; L358-S360 PolarHBondContact O-N 3.44Å; L358-F361 PolarHBondContact O-N 2.98Å; L358-R455 HydrophobicContact CD2-CG 3.66Å; L358-F458 HydrophobicContact CD1-CD1 3.76Å; L358-F458 HydrophobicContact CD1-CE1 4.03Å; L358-F458 HydrophobicContact CD2-CD1 3.86Å; L358-F458 HydrophobicContact CG-CD1 3.66Å; L358-F458 HydrophobicContact CG-CE1 3.95Å; L358-F462 HydrophobicContact CD1-CB 4.24Å; L358-F462 HydrophobicContact CD1-CD1 4.11Å
359	D	88	Confident	91.2	Very high	83 Å²	83	60.7 Å²	60.7	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-74	-16.9	177	-55.5	-27.1	0	0	0	111.3	R323 S355 Y357 F361	R323-D359 IonicContact NE-OD1 3.83Å; S355-D359 WeakPolarHBondContact CB-OD2 3.34Å; S355-D359 WeakPolarHBondContact O-CB 3.12Å; S355-D359 PolarHBondContact O-N 2.68Å; S355-D359 PolarHBondContact OG-OD2 3.49Å; Y357-D359 VanDerWaalsContact C-N 3.31Å; Y357-D359 PolarHBondContact O-N 3.37Å; D359-F361 VanDerWaalsContact C-N 3.25Å; D359-F361 PolarHBondContact O-N 2.68Å
360	S	87.8	Confident	91.3	Very high	18 Å²	18	57.8 Å²	57.8	13%	0.126	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.1	171.2	75.3	0	0	0	0	115	R356 Y357 L358 V362	R356-S360 PolarHBondContact O-N 3.09Å; Y357-S360 WeakPolarHBondContact O-CB 3.18Å; Y357-S360 PolarHBondContact O-N 3.43Å; Y357-S360 PolarHBondContact O-OG 3.34Å; L358-S360 PolarHBondContact O-N 3.44Å; S360-V362 PolarHBondContact O-N 2.76Å
361	F	88.8	Confident	91.5	Very high	27 Å²	27	62.4 Å²	62.4	12%	0.118	31%	0.312	C	S	.	.			trans	-93.7	63.5	-177.7	-66.7	-95.8	0	0	0	112.8	Y357 L358 D359 S363 P427 R455	Y357-F361 HydrophobicContact CD2-CE2 4.05Å; Y357-F361 HydrophobicContact CE1-CE2 4.05Å; Y357-F361 AromaticContact CE2-CE2 3.5Å; Y357-F361 HydrophobicContact CE2-CE2 3.5Å; Y357-F361 VanDerWaalsContact CE2-CE2 3.5Å; Y357-F361 AromaticContact CE2-CZ 3.83Å; Y357-F361 HydrophobicContact CE2-CZ 3.83Å; Y357-F361 AromaticContact CZ-CE2 3.49Å; Y357-F361 VanDerWaalsContact CZ-CE2 3.49Å; Y357-F361 AromaticContact CZ-CZ 3.75Å; Y357-F361 VanDerWaalsContact O-CD2 3.31Å; Y357-F361 WeakPolarHBondContact O-CD2 3.35Å; Y357-F361 WeakPolarHBondContact O-CE2 3.45Å; Y357-F361 WeakPolarHBondContact OH-CZ 3.24Å; L358-F361 PolarHBondContact O-N 2.98Å; D359-F361 VanDerWaalsContact C-N 3.25Å; D359-F361 PolarHBondContact O-N 2.68Å; F361-S363 PolarHBondContact O-N 2.98Å; F361-P427 HydrophobicContact CZ-CB 4.49Å; F361-R455 HydrophobicContact CB-CG 4.22Å; F361-R455 HydrophobicContact CD1-CB 4.09Å; F361-R455 HydrophobicContact CD1-CG 3.99Å; F361-R455 HydrophobicContact CD2-CB 4.45Å; F361-R455 HydrophobicContact CD2-CG 3.89Å; F361-R455 HydrophobicContact CE1-CB 3.93Å; F361-R455 HydrophobicContact CE1-CG 4.27Å; F361-R455 HydrophobicContact CE2-CB 4.32Å; F361-R455 HydrophobicContact CE2-CG 4.2Å; F361-R455 HydrophobicContact CG-CB 4.35Å; F361-R455 HydrophobicContact CG-CG 3.78Å; F361-R455 HydrophobicContact CZ-CB 4.05Å; F361-R455 HydrophobicContact CZ-CG 4.38Å; F361-R455 VanDerWaalsContact O-CZ 3.26Å; F361-R455 PolarHBondContact O-NH1 2.94Å; F361-R455 PolarHBondContact O-NH2 3.06Å
362	V	85.2	Confident	91.6	Very high	56 Å²	56	61.4 Å²	61.4	34%	0.339	32%	0.317	S	S	.	.			trans	-59	128.2	176.9	-177.4	0	0	0	0	111.2	S360 R364 T367 P419 Y425	S360-V362 PolarHBondContact O-N 2.76Å; V362-R364 PolarHBondContact O-N 3.26Å; V362-T367 WeakPolarHBondContact CG1-OG1 3.47Å; V362-P419 HydrophobicContact CG1-CG 3.89Å; V362-P419 HydrophobicContact CG2-CB 3.86Å; V362-P419 HydrophobicContact CG2-CG 3.91Å; V362-Y425 HydrophobicContact CG2-CE1 4.41Å
363	S	87.4	Confident	91.8	Very high	44 Å²	44	57 Å²	57	31%	0.308	30%	0.297	S	S	.	.			trans	-91.5	94.1	174.7	48.2	0	0	0	0	111.2	F361 P365 L366 T367	F361-S363 PolarHBondContact O-N 2.98Å; S363-P365 VanDerWaalsContact C-CD 3.43Å; S363-P365 VanDerWaalsContact O-N 3.12Å; S363-L366 WeakPolarHBondContact O-CA 3.49Å; S363-L366 VanDerWaalsContact O-CB 3.29Å; S363-L366 WeakPolarHBondContact O-CB 3.28Å; S363-L366 PolarHBondContact O-N 3.38Å; S363-L366 WeakPolarHBondContact OG-CB 3.28Å; S363-T367 PolarHBondContact O-N 3.03Å; S363-T367 PolarHBondContact O-OG1 3.48Å
364	R	89.6	Confident	92	Very high	215 Å²	215	57.4 Å²	57.4	81%	0.811	30%	0.3	S	S	*	.	H	α-helix	trans	-38.1	-48.6	179.4	-65.1	-176.7	179.8	-178.8	-1.1	116.3	V362 L366 T367 V368	V362-R364 PolarHBondContact O-N 3.26Å; R364-L366 VanDerWaalsContact C-N 3.3Å; R364-L366 PolarHBondContact O-N 3.14Å; R364-T367 WeakPolarHBondContact O-CB 3.36Å; R364-T367 PolarHBondContact O-N 3.47Å; R364-V368 PolarHBondContact O-N 3.49Å; R364-V368 VanDerWaalsContact O-N 3.11Å
365	P	93.2	Very high	92.1	Very high	96 Å²	96	65.5 Å²	65.5	62%	0.623	34%	0.336	S	S	*	.	H	α-helix	trans	-65.5	-30.9	178.9	25.2	-35.1	0	0	0	113.4	S363 L369	S363-P365 VanDerWaalsContact C-CD 3.43Å; S363-P365 VanDerWaalsContact O-N 3.12Å; P365-L369 WeakPolarHBondContact O-CB 3.4Å; P365-L369 WeakPolarHBondContact O-CD1 3.35Å; P365-L369 VanDerWaalsContact O-CG 3.23Å; P365-L369 WeakPolarHBondContact O-CG 3.25Å; P365-L369 PolarHBondContact O-N 3.48Å
366	L	91.1	Very high	92.3	Very high	73 Å²	73	69.4 Å²	69.4	38%	0.382	35%	0.354	S	S	.	.	H	α-helix	trans	-69	-39.2	173.5	-173.3	65.4	0	0	0	110.9	S363 R364 L369 A370 L417	S363-L366 WeakPolarHBondContact O-CA 3.49Å; S363-L366 VanDerWaalsContact O-CB 3.29Å; S363-L366 WeakPolarHBondContact O-CB 3.28Å; S363-L366 PolarHBondContact O-N 3.38Å; S363-L366 WeakPolarHBondContact OG-CB 3.28Å; R364-L366 VanDerWaalsContact C-N 3.3Å; R364-L366 PolarHBondContact O-N 3.14Å; L366-L369 PolarHBondContact O-N 2.91Å; L366-A370 VanDerWaalsContact O-CB 3.22Å; L366-A370 WeakPolarHBondContact O-CB 3.47Å; L366-A370 PolarHBondContact O-N 3.3Å; L366-L417 HydrophobicContact CD1-CD1 4.34Å
367	T	91.8	Very high	92.6	Very high	18 Å²	18	65.4 Å²	65.4	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-50.1	177.4	-43.8	0	0	0	0	111.1	V362 S363 R364 L369 A370 E371 I418	V362-T367 WeakPolarHBondContact CG1-OG1 3.47Å; S363-T367 PolarHBondContact O-N 3.03Å; S363-T367 PolarHBondContact O-OG1 3.48Å; R364-T367 WeakPolarHBondContact O-CB 3.36Å; R364-T367 PolarHBondContact O-N 3.47Å; T367-L369 VanDerWaalsContact C-N 3.32Å; T367-L369 PolarHBondContact O-N 3.42Å; T367-A370 WeakPolarHBondContact O-CB 3.27Å; T367-A370 PolarHBondContact O-N 2.87Å; T367-E371 WeakPolarHBondContact CG2-OE1 3.27Å; T367-E371 WeakPolarHBondContact O-CG 3.22Å; T367-E371 PolarHBondContact O-N 3.33Å; T367-I418 HydrophobicContact CG2-CG2 4.49Å
368	V	95.1	Very high	92.7	Very high	84 Å²	84	66.2 Å²	66.2	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-38.6	178.1	176	0	0	0	0	112.1	R364 S372	R364-V368 PolarHBondContact O-N 3.49Å; R364-V368 VanDerWaalsContact O-N 3.11Å; V368-S372 VanDerWaalsContact O-CB 3.31Å; V368-S372 WeakPolarHBondContact O-CB 3.36Å; V368-S372 PolarHBondContact O-N 2.99Å; V368-S372 PolarHBondContact O-OG 2.73Å
369	L	96	Very high	92.9	Very high	122 Å²	122	68.1 Å²	68.1	64%	0.639	37%	0.369	S	S	*	.	H	α-helix	trans	-67.4	-36.6	173.9	-72.5	170.1	0	0	0	112.3	P365 L366 T367 G373	P365-L369 WeakPolarHBondContact O-CB 3.4Å; P365-L369 WeakPolarHBondContact O-CD1 3.35Å; P365-L369 VanDerWaalsContact O-CG 3.23Å; P365-L369 WeakPolarHBondContact O-CG 3.25Å; P365-L369 PolarHBondContact O-N 3.48Å; L366-L369 PolarHBondContact O-N 2.91Å; T367-L369 VanDerWaalsContact C-N 3.32Å; T367-L369 PolarHBondContact O-N 3.42Å; L369-G373 PolarHBondContact O-N 3.06Å
370	A	94.3	Very high	93.3	Very high	3 Å²	3	66 Å²	66	3%	0.025	36%	0.363	C	S	.	.	H	α-helix	trans	-71.7	-42.8	178.1	0	0	0	0	0	112.2	L366 T367 G373 A374 C414 L417 I418	L366-A370 VanDerWaalsContact O-CB 3.22Å; L366-A370 WeakPolarHBondContact O-CB 3.47Å; L366-A370 PolarHBondContact O-N 3.3Å; T367-A370 WeakPolarHBondContact O-CB 3.27Å; T367-A370 PolarHBondContact O-N 2.87Å; A370-G373 PolarHBondContact O-N 3.4Å; A370-A374 WeakPolarHBondContact O-CB 3.36Å; A370-A374 PolarHBondContact O-N 2.77Å; A370-C414 WeakPolarHBondContact O-CB 3.45Å; A370-L417 HydrophobicContact CB-CB 3.93Å; A370-I418 HydrophobicContact CB-CD1 4.49Å; A370-I418 HydrophobicContact CB-CG1 3.82Å
371	E	95.2	Very high	93.6	Very high	97 Å²	97	66 Å²	66	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-58.1	-50.1	171.5	-71.3	162.1	-172.6	0	0	110.8	T367 G373 A374 F375 I418	T367-E371 WeakPolarHBondContact CG2-OE1 3.27Å; T367-E371 WeakPolarHBondContact O-CG 3.22Å; T367-E371 PolarHBondContact O-N 3.33Å; E371-G373 PolarHBondContact O-N 3.12Å; E371-A374 PolarHBondContact O-N 2.9Å; E371-F375 WeakPolarHBondContact O-CB 3.46Å; E371-F375 PolarHBondContact O-N 3.01Å; E371-I418 HydrophobicContact CG-CD1 3.86Å; E371-I418 HydrophobicContact CG-CG1 4.43Å
372	S	96.3	Very high	93.9	Very high	58 Å²	58	68.6 Å²	68.6	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-60.8	-44.5	178.1	-57.6	0	0	0	0	112	V368 F375 I376	V368-S372 VanDerWaalsContact O-CB 3.31Å; V368-S372 WeakPolarHBondContact O-CB 3.36Å; V368-S372 PolarHBondContact O-N 2.99Å; V368-S372 PolarHBondContact O-OG 2.73Å; S372-F375 PolarHBondContact O-N 3.47Å; S372-I376 VanDerWaalsContact O-CG1 3.28Å; S372-I376 WeakPolarHBondContact O-CG1 3.47Å; S372-I376 PolarHBondContact O-N 2.91Å
373	G	96.1	Very high	94.3	Very high	10 Å²	10	68.7 Å²	68.7	10%	0.103	39%	0.388	C	S	.	.	H	α-helix	trans	-66	-43	177.3	0	0	0	0	0	112.8	L369 A370 E371 F375 I376 F377	L369-G373 PolarHBondContact O-N 3.06Å; A370-G373 PolarHBondContact O-N 3.4Å; E371-G373 PolarHBondContact O-N 3.12Å; G373-F375 VanDerWaalsContact C-N 3.34Å; G373-F375 PolarHBondContact O-N 3Å; G373-I376 PolarHBondContact O-N 3.23Å; G373-F377 WeakPolarHBondContact O-CB 3.29Å; G373-F377 WeakPolarHBondContact O-CD2 3.48Å; G373-F377 WeakPolarHBondContact O-CG 3.5Å; G373-F377 PolarHBondContact O-N 2.89Å
374	A	95.3	Very high	94.6	Very high	15 Å²	15	70 Å²	70	12%	0.124	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-42.3	176.1	0	0	0	0	0	111.6	A370 E371 G378 C414 L415	A370-A374 WeakPolarHBondContact O-CB 3.36Å; A370-A374 PolarHBondContact O-N 2.77Å; E371-A374 PolarHBondContact O-N 2.9Å; A374-G378 VanDerWaalsContact O-CA 3.3Å; A374-G378 WeakPolarHBondContact O-CA 3.42Å; A374-G378 PolarHBondContact O-N 3.3Å; A374-C414 HydrophobicContact CB-CB 3.89Å; A374-L415 HydrophobicContact CB-CD2 3.85Å; A374-L415 HydrophobicContact CB-CG 3.99Å
375	F	96.7	Very high	94.8	Very high	171 Å²	171	65.2 Å²	65.2	75%	0.75	37%	0.373	S	S	*	.	H	α-helix	trans	-62.9	-49.3	174.9	-179.1	-98.6	0	0	0	112.3	E371 S372 G373 G379	E371-F375 WeakPolarHBondContact O-CB 3.46Å; E371-F375 PolarHBondContact O-N 3.01Å; S372-F375 PolarHBondContact O-N 3.47Å; G373-F375 VanDerWaalsContact C-N 3.34Å; G373-F375 PolarHBondContact O-N 3Å; F375-G379 WeakPolarHBondContact O-CA 3.32Å; F375-G379 PolarHBondContact O-N 3.28Å
376	I	96.7	Very high	94.9	Very high	106 Å²	106	65.1 Å²	65.1	54%	0.544	37%	0.366	S	S	.	.	H	α-helix	trans	-66.7	-53.8	-177.3	-67.7	165.9	0	0	0	111.4	S372 G373 A380	S372-I376 VanDerWaalsContact O-CG1 3.28Å; S372-I376 WeakPolarHBondContact O-CG1 3.47Å; S372-I376 PolarHBondContact O-N 2.91Å; G373-I376 PolarHBondContact O-N 3.23Å; I376-A380 WeakPolarHBondContact O-CB 3.5Å; I376-A380 PolarHBondContact O-N 3.32Å
377	F	96.4	Very high	94.9	Very high	76 Å²	76	63.3 Å²	63.3	33%	0.333	36%	0.362	S	S	.	.	H	α-helix	trans	-72.5	-35	-176.5	-58.7	-53	0	0	0	112.2	G373 S381 G407 L410 A411	G373-F377 WeakPolarHBondContact O-CB 3.29Å; G373-F377 WeakPolarHBondContact O-CD2 3.48Å; G373-F377 WeakPolarHBondContact O-CG 3.5Å; G373-F377 PolarHBondContact O-N 2.89Å; F377-S381 VanDerWaalsContact O-CB 3.29Å; F377-S381 WeakPolarHBondContact O-CB 3.18Å; F377-S381 PolarHBondContact O-N 3.08Å; F377-G407 WeakPolarHBondContact CB-O 3.26Å; F377-L410 HydrophobicContact CB-CB 4.09Å; F377-L410 HydrophobicContact CD1-CB 4.41Å; F377-L410 HydrophobicContact CD1-CD1 4.19Å; F377-L410 HydrophobicContact CD2-CB 3.74Å; F377-L410 HydrophobicContact CE1-CD1 4.16Å; F377-L410 HydrophobicContact CE2-CB 4.27Å; F377-L410 HydrophobicContact CG-CB 3.83Å; F377-L410 HydrophobicContact CG-CD1 4.43Å; F377-L410 HydrophobicContact CZ-CD1 4.37Å; F377-A411 HydrophobicContact CB-CB 4.1Å
378	G	95.4	Very high	94.9	Very high	18 Å²	18	63 Å²	63	19%	0.186	36%	0.362	C	S	.	.	H	α-helix	trans	-69.5	-46.4	175.9	0	0	0	0	0	111.7	A374 A380 S381 V382	A374-G378 VanDerWaalsContact O-CA 3.3Å; A374-G378 WeakPolarHBondContact O-CA 3.42Å; A374-G378 PolarHBondContact O-N 3.3Å; G378-A380 PolarHBondContact O-N 3.48Å; G378-S381 PolarHBondContact O-N 3Å; G378-V382 WeakPolarHBondContact O-CG2 3.3Å; G378-V382 PolarHBondContact O-N 3.44Å
379	G	95.8	Very high	94.7	Very high	40 Å²	40	65 Å²	65	41%	0.412	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-43.6	175.5	0	0	0	0	0	112.6	F375 A383	F375-G379 WeakPolarHBondContact O-CA 3.32Å; F375-G379 PolarHBondContact O-N 3.28Å; G379-A383 VanDerWaalsContact O-CB 3.26Å; G379-A383 WeakPolarHBondContact O-CB 3.44Å; G379-A383 PolarHBondContact O-N 3.06Å
380	A	94.3	Very high	94.6	Very high	39 Å²	39	65 Å²	65	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-45.1	174.5	0	0	0	0	0	112.4	I376 G378 A383 F384	I376-A380 WeakPolarHBondContact O-CB 3.5Å; I376-A380 PolarHBondContact O-N 3.32Å; G378-A380 PolarHBondContact O-N 3.48Å; A380-A383 PolarHBondContact O-N 3.29Å; A380-F384 WeakPolarHBondContact O-CD2 3.37Å; A380-F384 PolarHBondContact O-N 3.27Å
381	S	95.2	Very high	94.3	Very high	18 Å²	18	67 Å²	67	13%	0.126	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-47.2	176.9	178.8	0	0	0	0	112.2	F377 G378 F384 F385 L404	F377-S381 VanDerWaalsContact O-CB 3.29Å; F377-S381 WeakPolarHBondContact O-CB 3.18Å; F377-S381 PolarHBondContact O-N 3.08Å; G378-S381 PolarHBondContact O-N 3Å; S381-F384 PolarHBondContact O-N 3.05Å; S381-F385 WeakPolarHBondContact O-CB 3.2Å; S381-F385 PolarHBondContact O-N 3.49Å; S381-L404 WeakPolarHBondContact O-CD1 3.47Å; S381-L404 PolarHBondContact OG-O 2.83Å; S381-L404 VanDerWaalsContact OG-O 3.05Å
382	V	95.6	Very high	93.8	Very high	82 Å²	82	69.4 Å²	69.4	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-67.3	-40.4	178.6	172.4	0	0	0	0	111.9	G378 F384 F385 I386	G378-V382 WeakPolarHBondContact O-CG2 3.3Å; G378-V382 PolarHBondContact O-N 3.44Å; V382-F384 VanDerWaalsContact C-N 3.35Å; V382-F384 PolarHBondContact O-N 2.78Å; V382-F385 PolarHBondContact O-N 2.98Å; V382-I386 HydrophobicContact CG1-CD1 3.86Å; V382-I386 HydrophobicContact CG1-CG1 4.49Å; V382-I386 WeakPolarHBondContact O-CG1 3.47Å; V382-I386 PolarHBondContact O-N 3.42Å
383	A	94	Very high	93.4	Very high	58 Å²	58	74 Å²	74	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-42	176	0	0	0	0	0	112	G379 A380 A387	G379-A383 VanDerWaalsContact O-CB 3.26Å; G379-A383 WeakPolarHBondContact O-CB 3.44Å; G379-A383 PolarHBondContact O-N 3.06Å; A380-A383 PolarHBondContact O-N 3.29Å; A383-A387 PolarHBondContact O-N 2.93Å
384	F	93.2	Very high	92.8	Very high	72 Å²	72	77 Å²	77	32%	0.316	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-44.4	174.4	-88.4	-115.6	0	0	0	111.5	A380 S381 V382 I386 A387 G388 Y400 I403	A380-F384 WeakPolarHBondContact O-CD2 3.37Å; A380-F384 PolarHBondContact O-N 3.27Å; S381-F384 PolarHBondContact O-N 3.05Å; V382-F384 VanDerWaalsContact C-N 3.35Å; V382-F384 PolarHBondContact O-N 2.78Å; F384-I386 VanDerWaalsContact C-N 3.31Å; F384-I386 PolarHBondContact O-N 2.74Å; F384-A387 WeakPolarHBondContact O-CB 3.49Å; F384-A387 PolarHBondContact O-N 2.68Å; F384-G388 PolarHBondContact O-N 2.85Å; F384-Y400 HydrophobicContact CB-CE2 4.29Å; F384-Y400 AromaticContact CD1-CD2 3.57Å; F384-Y400 HydrophobicContact CD1-CD2 3.57Å; F384-Y400 AromaticContact CD1-CE2 3.75Å; F384-Y400 HydrophobicContact CD1-CE2 3.75Å; F384-Y400 HydrophobicContact CD1-CG 4.36Å; F384-Y400 HydrophobicContact CE1-CD2 4.06Å; F384-Y400 HydrophobicContact CG-CE2 4.43Å; F384-Y400 PolarHBondContact O-OH 3.24Å; F384-I403 HydrophobicContact CD1-CB 4.11Å; F384-I403 HydrophobicContact CD1-CG2 3.89Å; F384-I403 HydrophobicContact CD2-CG2 3.87Å; F384-I403 HydrophobicContact CE1-CB 4.11Å; F384-I403 HydrophobicContact CE1-CD1 3.67Å; F384-I403 HydrophobicContact CE1-CG1 4.5Å; F384-I403 HydrophobicContact CE1-CG2 3.97Å; F384-I403 HydrophobicContact CE2-CG2 3.95Å; F384-I403 HydrophobicContact CG-CG2 3.85Å; F384-I403 HydrophobicContact CZ-CD1 3.71Å; F384-I403 HydrophobicContact CZ-CG2 4.01Å
385	F	93.7	Very high	92.5	Very high	114 Å²	114	79.7 Å²	79.7	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-53.8	-46.6	175.2	-179.9	-107.8	0	0	0	112.2	S381 V382 G388 L389 L404	S381-F385 WeakPolarHBondContact O-CB 3.2Å; S381-F385 PolarHBondContact O-N 3.49Å; V382-F385 PolarHBondContact O-N 2.98Å; F385-G388 PolarHBondContact O-N 3.5Å; F385-L389 HydrophobicContact CD1-CD1 4.1Å; F385-L389 HydrophobicContact CE1-CD1 3.63Å; F385-L389 HydrophobicContact CE1-CG 4.4Å; F385-L389 HydrophobicContact CZ-CD1 4Å; F385-L389 HydrophobicContact CZ-CG 4.43Å; F385-L389 WeakPolarHBondContact O-CG 3.3Å; F385-L389 PolarHBondContact O-N 3.5Å; F385-L389 VanDerWaalsContact O-N 3.13Å; F385-L404 HydrophobicContact CB-CD1 3.81Å; F385-L404 HydrophobicContact CD2-CD1 4.49Å
386	I	94.1	Very high	92	Very high	93 Å²	93	78.9 Å²	78.9	48%	0.477	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-41	176.1	-66.6	166.2	0	0	0	111.2	V382 F384 G388 L389 V390	V382-I386 HydrophobicContact CG1-CD1 3.86Å; V382-I386 HydrophobicContact CG1-CG1 4.49Å; V382-I386 WeakPolarHBondContact O-CG1 3.47Å; V382-I386 PolarHBondContact O-N 3.42Å; F384-I386 VanDerWaalsContact C-N 3.31Å; F384-I386 PolarHBondContact O-N 2.74Å; I386-G388 VanDerWaalsContact C-N 3.32Å; I386-G388 PolarHBondContact O-N 2.88Å; I386-L389 PolarHBondContact O-N 3.36Å; I386-L389 VanDerWaalsContact O-N 3.17Å; I386-V390 WeakPolarHBondContact O-CG2 3.46Å; I386-V390 PolarHBondContact O-N 3.05Å
387	A	91.4	Very high	91.7	Very high	36 Å²	36	78.2 Å²	78.2	30%	0.298	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-39.3	176.5	0	0	0	0	0	112.6	A383 F384 V390 S391	A383-A387 PolarHBondContact O-N 2.93Å; F384-A387 WeakPolarHBondContact O-CB 3.49Å; F384-A387 PolarHBondContact O-N 2.68Å; A387-V390 PolarHBondContact O-N 3.27Å; A387-S391 PolarHBondContact O-N 2.93Å
388	G	91.5	Very high	91.2	Very high	11 Å²	11	81.1 Å²	81.1	11%	0.113	46%	0.46	C	S	.	.	H	α-helix	trans	-67.7	-31.9	173.8	0	0	0	0	0	114.4	F384 F385 I386 V390 S391 Y400	F384-G388 PolarHBondContact O-N 2.85Å; F385-G388 PolarHBondContact O-N 3.5Å; I386-G388 VanDerWaalsContact C-N 3.32Å; I386-G388 PolarHBondContact O-N 2.88Å; G388-V390 VanDerWaalsContact C-N 3.32Å; G388-S391 CarbonylContact O-C 3.4Å; G388-Y400 VanDerWaalsContact CA-OH 3.23Å; G388-Y400 WeakPolarHBondContact CA-OH 3.02Å; G388-Y400 PolarHBondContact N-OH 2.91Å
389	L	92.2	Very high	90.9	Very high	125 Å²	125	82.1 Å²	82.1	65%	0.654	47%	0.471	S	S	*	.	H	α-helix	trans	-70.3	-28.3	171.8	-67.9	177.1	0	0	0	112.6	F385 I386	F385-L389 HydrophobicContact CD1-CD1 4.1Å; F385-L389 HydrophobicContact CE1-CD1 3.63Å; F385-L389 HydrophobicContact CE1-CG 4.4Å; F385-L389 HydrophobicContact CZ-CD1 4Å; F385-L389 HydrophobicContact CZ-CG 4.43Å; F385-L389 WeakPolarHBondContact O-CG 3.3Å; F385-L389 PolarHBondContact O-N 3.5Å; F385-L389 VanDerWaalsContact O-N 3.13Å; I386-L389 PolarHBondContact O-N 3.36Å; I386-L389 VanDerWaalsContact O-N 3.17Å
390	V	92.8	Very high	90.7	Very high	124 Å²	124	80.9 Å²	80.9	75%	0.752	45%	0.454	S	S	*	.	H	α-helix	trans	-81.8	-33.9	175.9	173.5	0	0	0	0	111.9	I386 A387 G388	I386-V390 WeakPolarHBondContact O-CG2 3.46Å; I386-V390 PolarHBondContact O-N 3.05Å; A387-V390 PolarHBondContact O-N 3.27Å; G388-V390 VanDerWaalsContact C-N 3.32Å
391	S	88.6	Confident	90.5	Very high	45 Å²	45	83.7 Å²	83.7	32%	0.315	46%	0.463	S	S	.	.			trans	-148.8	112	176.6	-169.2	0	0	0	0	112.5	A387 G388 Q393 M394	A387-S391 PolarHBondContact O-N 2.93Å; G388-S391 CarbonylContact O-C 3.4Å; S391-Q393 PolarHBondContact O-N 3.33Å; S391-Q393 VanDerWaalsContact O-N 3.14Å; S391-M394 VanDerWaalsContact O-CB 3.28Å; S391-M394 WeakPolarHBondContact O-CB 3.49Å; S391-M394 WeakPolarHBondContact O-CG 3.36Å; S391-M394 PolarHBondContact O-N 3.22Å
392	E	85.7	Confident	90.3	Very high	147 Å²	147	86.1 Å²	86.1	69%	0.687	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-54.1	-31.7	174.6	-174.3	176	-161	0	0	112.6	M394 I395	E392-M394 PolarHBondContact O-N 3.34Å; E392-M394 VanDerWaalsContact O-N 3.15Å; E392-I395 HydrophobicContact CG-CD1 4.49Å; E392-I395 WeakPolarHBondContact O-CB 3.45Å; E392-I395 WeakPolarHBondContact O-CG1 3.35Å; E392-I395 PolarHBondContact O-N 3.11Å
393	Q	86.9	Confident	90.1	Very high	155 Å²	155	85.9 Å²	85.9	72%	0.724	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-60.4	-25.3	177.3	-62.6	-174.9	7.7	0	0	113.1	S391 I395 H396	S391-Q393 PolarHBondContact O-N 3.33Å; S391-Q393 VanDerWaalsContact O-N 3.14Å; Q393-I395 PolarHBondContact O-N 3.45Å; Q393-H396 PolarHBondContact O-N 2.95Å
394	M	84.3	Confident	90.1	Very high	73 Å²	73	84.8 Å²	84.8	36%	0.36	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-61.6	-32.8	174.9	-65	-90.5	81	0	0	112.1	S391 E392 H396 L397 Y400	S391-M394 VanDerWaalsContact O-CB 3.28Å; S391-M394 WeakPolarHBondContact O-CB 3.49Å; S391-M394 WeakPolarHBondContact O-CG 3.36Å; S391-M394 PolarHBondContact O-N 3.22Å; E392-M394 PolarHBondContact O-N 3.34Å; E392-M394 VanDerWaalsContact O-N 3.15Å; M394-H396 PolarHBondContact O-N 3.13Å; M394-L397 HydrophobicContact CE-CD1 4.11Å; M394-L397 HydrophobicContact CE-CD2 4.35Å; M394-L397 PolarHBondContact O-N 2.95Å; M394-Y400 HydrophobicContact CB-CD2 4.23Å; M394-Y400 HydrophobicContact CB-CE2 3.92Å; M394-Y400 VanDerWaalsContact O-CD2 3.29Å; M394-Y400 WeakPolarHBondContact O-CD2 3.03Å; M394-Y400 VanDerWaalsContact O-CG 3.27Å
395	I	87.5	Confident	90.1	Very high	70 Å²	70	85.4 Å²	85.4	36%	0.359	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-66.4	-28.4	-173.3	-55.4	175.1	0	0	0	111.6	E392 Q393 L397 Y400 L401	E392-I395 HydrophobicContact CG-CD1 4.49Å; E392-I395 WeakPolarHBondContact O-CB 3.45Å; E392-I395 WeakPolarHBondContact O-CG1 3.35Å; E392-I395 PolarHBondContact O-N 3.11Å; Q393-I395 PolarHBondContact O-N 3.45Å; I395-L397 VanDerWaalsContact C-N 3.33Å; I395-L397 PolarHBondContact O-N 2.9Å; I395-Y400 HydrophobicContact CB-CD1 4.41Å; I395-Y400 HydrophobicContact CB-CE1 4.2Å; I395-Y400 HydrophobicContact CG1-CE1 3.95Å; I395-Y400 HydrophobicContact CG2-CD1 4.42Å; I395-Y400 HydrophobicContact CG2-CE1 4.29Å; I395-L401 HydrophobicContact CG2-CD2 4.35Å
396	H	87.1	Confident	90.1	Very high	155 Å²	155	81.2 Å²	81.2	72%	0.718	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-80.1	-5.7	179.8	-67	-74	0	0	0	114.5	Q393 M394	Q393-H396 PolarHBondContact O-N 2.95Å; M394-H396 PolarHBondContact O-N 3.13Å
397	L	89.2	Confident	90	Very high	92 Å²	92	77.2 Å²	77.2	48%	0.482	45%	0.445	S	S	.	.	S	Bend	trans	-69.9	137.4	179.5	-90.5	74.2	0	0	0	111.8	M394 I395 G399 Y400	M394-L397 HydrophobicContact CE-CD1 4.11Å; M394-L397 HydrophobicContact CE-CD2 4.35Å; M394-L397 PolarHBondContact O-N 2.95Å; I395-L397 VanDerWaalsContact C-N 3.33Å; I395-L397 PolarHBondContact O-N 2.9Å; L397-G399 PolarHBondContact O-N 2.88Å; L397-Y400 WeakPolarHBondContact O-CB 3.47Å; L397-Y400 PolarHBondContact O-N 3.02Å
398	P	87.2	Confident	90.1	Very high	136 Å²	136	76.8 Å²	76.8	88%	0.883	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	124.8	175.2	26.1	-33.9	0	0	0	110.1
399	G	88.2	Confident	90.2	Very high	40 Å²	40	81.8 Å²	81.8	41%	0.412	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-11.9	-177.7	0	0	0	0	0	115.8	L397 L401 A402 I403	L397-G399 PolarHBondContact O-N 2.88Å; G399-L401 PolarHBondContact O-N 2.78Å; G399-A402 WeakPolarHBondContact O-CB 3.43Å; G399-A402 PolarHBondContact O-N 2.95Å; G399-I403 PolarHBondContact O-N 2.86Å
400	Y	92.3	Very high	90.2	Very high	14 Å²	14	79.6 Å²	79.6	6%	0.055	46%	0.457	C	S	.	.	H	α-helix	trans	-55.8	-51.7	177.8	173	-85.5	0	0	0	111.8	F384 G388 M394 I395 L397 A402 I403 L404	F384-Y400 HydrophobicContact CB-CE2 4.29Å; F384-Y400 AromaticContact CD1-CD2 3.57Å; F384-Y400 HydrophobicContact CD1-CD2 3.57Å; F384-Y400 AromaticContact CD1-CE2 3.75Å; F384-Y400 HydrophobicContact CD1-CE2 3.75Å; F384-Y400 HydrophobicContact CD1-CG 4.36Å; F384-Y400 HydrophobicContact CE1-CD2 4.06Å; F384-Y400 HydrophobicContact CG-CE2 4.43Å; F384-Y400 PolarHBondContact O-OH 3.24Å; G388-Y400 VanDerWaalsContact CA-OH 3.23Å; G388-Y400 WeakPolarHBondContact CA-OH 3.02Å; G388-Y400 PolarHBondContact N-OH 2.91Å; M394-Y400 HydrophobicContact CB-CD2 4.23Å; M394-Y400 HydrophobicContact CB-CE2 3.92Å; M394-Y400 VanDerWaalsContact O-CD2 3.29Å; M394-Y400 WeakPolarHBondContact O-CD2 3.03Å; M394-Y400 VanDerWaalsContact O-CG 3.27Å; I395-Y400 HydrophobicContact CB-CD1 4.41Å; I395-Y400 HydrophobicContact CB-CE1 4.2Å; I395-Y400 HydrophobicContact CG1-CE1 3.95Å; I395-Y400 HydrophobicContact CG2-CD1 4.42Å; I395-Y400 HydrophobicContact CG2-CE1 4.29Å; L397-Y400 WeakPolarHBondContact O-CB 3.47Å; L397-Y400 PolarHBondContact O-N 3.02Å; Y400-A402 PolarHBondContact O-N 3.18Å; Y400-I403 PolarHBondContact O-N 3.44Å; Y400-L404 HydrophobicContact CE1-CD2 3.97Å; Y400-L404 PolarHBondContact O-N 2.76Å
401	L	89.9	Confident	90.2	Very high	98 Å²	98	74.1 Å²	74.1	51%	0.513	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-29	177	-70.3	174.9	0	0	0	112.7	I395 G399 V405	I395-L401 HydrophobicContact CG2-CD2 4.35Å; G399-L401 PolarHBondContact O-N 2.78Å; L401-V405 VanDerWaalsContact O-CB 3.29Å; L401-V405 WeakPolarHBondContact O-CB 3.47Å; L401-V405 WeakPolarHBondContact O-CG2 3.29Å; L401-V405 PolarHBondContact O-N 3.08Å
402	A	90.7	Very high	90.3	Very high	69 Å²	69	79.4 Å²	79.4	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-71.6	-37.5	177.3	0	0	0	0	0	111.8	G399 Y400 G406	G399-A402 WeakPolarHBondContact O-CB 3.43Å; G399-A402 PolarHBondContact O-N 2.95Å; Y400-A402 PolarHBondContact O-N 3.18Å; A402-G406 WeakPolarHBondContact O-CA 3.46Å; A402-G406 PolarHBondContact O-N 2.88Å
403	I	92.1	Very high	90.5	Very high	77 Å²	77	76.3 Å²	76.3	40%	0.395	43%	0.425	S	S	.	.	H	α-helix	trans	-69.2	-46.7	173.7	-65.1	169	0	0	0	110.4	F384 G399 Y400 G407	F384-I403 HydrophobicContact CD1-CB 4.11Å; F384-I403 HydrophobicContact CD1-CG2 3.89Å; F384-I403 HydrophobicContact CD2-CG2 3.87Å; F384-I403 HydrophobicContact CE1-CB 4.11Å; F384-I403 HydrophobicContact CE1-CD1 3.67Å; F384-I403 HydrophobicContact CE1-CG1 4.5Å; F384-I403 HydrophobicContact CE1-CG2 3.97Å; F384-I403 HydrophobicContact CE2-CG2 3.95Å; F384-I403 HydrophobicContact CG-CG2 3.85Å; F384-I403 HydrophobicContact CZ-CD1 3.71Å; F384-I403 HydrophobicContact CZ-CG2 4.01Å; G399-I403 PolarHBondContact O-N 2.86Å; Y400-I403 PolarHBondContact O-N 3.44Å; I403-G407 VanDerWaalsContact O-CA 3.28Å; I403-G407 WeakPolarHBondContact O-CA 3.34Å; I403-G407 PolarHBondContact O-N 3.41Å
404	L	93.5	Very high	90.7	Very high	34 Å²	34	69.7 Å²	69.7	18%	0.178	40%	0.395	C	S	.	.	H	α-helix	trans	-61.9	-58.4	179.7	177.2	59.8	0	0	0	112.2	S381 F385 Y400 G408	S381-L404 WeakPolarHBondContact O-CD1 3.47Å; S381-L404 PolarHBondContact OG-O 2.83Å; S381-L404 VanDerWaalsContact OG-O 3.05Å; F385-L404 HydrophobicContact CB-CD1 3.81Å; F385-L404 HydrophobicContact CD2-CD1 4.49Å; Y400-L404 HydrophobicContact CE1-CD2 3.97Å; Y400-L404 PolarHBondContact O-N 2.76Å; L404-G408 PolarHBondContact O-N 3.34Å
405	V	93.4	Very high	91	Very high	85 Å²	85	70.5 Å²	70.5	52%	0.515	40%	0.401	S	S	.	.	H	α-helix	trans	-75.3	-42.3	-175.3	-179.5	0	0	0	0	111.3	L401 G408 L409	L401-V405 VanDerWaalsContact O-CB 3.29Å; L401-V405 WeakPolarHBondContact O-CB 3.47Å; L401-V405 WeakPolarHBondContact O-CG2 3.29Å; L401-V405 PolarHBondContact O-N 3.08Å; V405-G408 PolarHBondContact O-N 2.81Å; V405-L409 HydrophobicContact CG1-CD1 4.15Å; V405-L409 WeakPolarHBondContact O-CB 3.25Å; V405-L409 PolarHBondContact O-N 2.91Å
406	G	92.8	Very high	91	Very high	26 Å²	26	70.1 Å²	70.1	27%	0.268	40%	0.404	S	S	.	.	H	α-helix	trans	-67.7	-42.3	178.3	0	0	0	0	0	112.6	A402 L409 L410	A402-G406 WeakPolarHBondContact O-CA 3.46Å; A402-G406 PolarHBondContact O-N 2.88Å; G406-L409 PolarHBondContact O-N 3.26Å; G406-L410 WeakPolarHBondContact O-CB 3.32Å; G406-L410 VanDerWaalsContact O-CG 3.3Å; G406-L410 WeakPolarHBondContact O-CG 3.41Å; G406-L410 PolarHBondContact O-N 3.3Å
407	G	93.6	Very high	90.9	Very high	9 Å²	9	66.6 Å²	66.6	9%	0.093	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-44.6	173	0	0	0	0	0	112.1	F377 I403 L409 L410 A411	F377-G407 WeakPolarHBondContact CB-O 3.26Å; I403-G407 VanDerWaalsContact O-CA 3.28Å; I403-G407 WeakPolarHBondContact O-CA 3.34Å; I403-G407 PolarHBondContact O-N 3.41Å; G407-L409 PolarHBondContact O-N 2.95Å; G407-L410 PolarHBondContact O-N 2.98Å; G407-A411 VanDerWaalsContact O-CB 3.26Å; G407-A411 WeakPolarHBondContact O-CB 3.22Å; G407-A411 PolarHBondContact O-N 3.09Å
408	G	93.7	Very high	90.8	Very high	28 Å²	28	64.7 Å²	64.7	29%	0.289	38%	0.38	S	S	.	.	H	α-helix	trans	-60	-43.7	174.2	0	0	0	0	0	113.5	L404 V405 R412	L404-G408 PolarHBondContact O-N 3.34Å; V405-G408 PolarHBondContact O-N 2.81Å; G408-R412 WeakPolarHBondContact O-CB 3.02Å; G408-R412 PolarHBondContact O-N 3.44Å
409	L	91.7	Very high	90.7	Very high	116 Å²	116	60.3 Å²	60.3	61%	0.607	35%	0.352	S	S	*	.	H	α-helix	trans	-65.9	-44.4	176.2	-89.6	162.8	0	0	0	112.7	V405 G406 G407 R412 L413	V405-L409 HydrophobicContact CG1-CD1 4.15Å; V405-L409 WeakPolarHBondContact O-CB 3.25Å; V405-L409 PolarHBondContact O-N 2.91Å; G406-L409 PolarHBondContact O-N 3.26Å; G407-L409 PolarHBondContact O-N 2.95Å; L409-R412 PolarHBondContact O-N 3.47Å; L409-L413 WeakPolarHBondContact O-CB 3.34Å; L409-L413 PolarHBondContact O-N 3.32Å
410	L	92.7	Very high	90.5	Very high	79 Å²	79	63.1 Å²	63.1	41%	0.414	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176.8	-73.8	170.1	0	0	0	111.6	F377 G406 G407 L413 C414	F377-L410 HydrophobicContact CB-CB 4.09Å; F377-L410 HydrophobicContact CD1-CB 4.41Å; F377-L410 HydrophobicContact CD1-CD1 4.19Å; F377-L410 HydrophobicContact CD2-CB 3.74Å; F377-L410 HydrophobicContact CE1-CD1 4.16Å; F377-L410 HydrophobicContact CE2-CB 4.27Å; F377-L410 HydrophobicContact CG-CB 3.83Å; F377-L410 HydrophobicContact CG-CD1 4.43Å; F377-L410 HydrophobicContact CZ-CD1 4.37Å; G406-L410 WeakPolarHBondContact O-CB 3.32Å; G406-L410 VanDerWaalsContact O-CG 3.3Å; G406-L410 WeakPolarHBondContact O-CG 3.41Å; G406-L410 PolarHBondContact O-N 3.3Å; G407-L410 PolarHBondContact O-N 2.98Å; L410-L413 PolarHBondContact O-N 3.46Å; L410-C414 PolarHBondContact O-N 3.36Å; L410-C414 PolarHBondContact O-SG 3.1Å
411	A	93.9	Very high	89.8	Confident	8 Å²	8	71.5 Å²	71.5	7%	0.066	40%	0.397	C	S	.	.	H	α-helix	trans	-61.5	-45.6	173	0	0	0	0	0	111.3	F377 G407 L413 C414 L415	F377-A411 HydrophobicContact CB-CB 4.1Å; G407-A411 VanDerWaalsContact O-CB 3.26Å; G407-A411 WeakPolarHBondContact O-CB 3.22Å; G407-A411 PolarHBondContact O-N 3.09Å; A411-L413 VanDerWaalsContact C-N 3.32Å; A411-L413 PolarHBondContact O-N 2.82Å; A411-C414 PolarHBondContact O-N 2.93Å; A411-L415 WeakPolarHBondContact O-CG 3.29Å; A411-L415 PolarHBondContact O-N 3.13Å
412	R	90.9	Very high	89.3	Confident	157 Å²	157	73.2 Å²	73.2	59%	0.592	41%	0.406	S	S	*	.	H	α-helix	trans	-65	-35.1	178.2	-172.7	64.4	-169.6	102.4	-15.8	112.8	G408 L409 S416	G408-R412 WeakPolarHBondContact O-CB 3.02Å; G408-R412 PolarHBondContact O-N 3.44Å; L409-R412 PolarHBondContact O-N 3.47Å; R412-S416 PolarHBondContact O-N 3.1Å
413	L	89	Confident	88.7	Confident	81 Å²	81	73.1 Å²	73.1	42%	0.424	40%	0.399	S	S	.	.	H	α-helix	trans	-64.9	-47.8	172.1	179.2	63.5	0	0	0	111	L409 L410 A411 L415 S416 L417	L409-L413 WeakPolarHBondContact O-CB 3.34Å; L409-L413 PolarHBondContact O-N 3.32Å; L410-L413 PolarHBondContact O-N 3.46Å; A411-L413 VanDerWaalsContact C-N 3.32Å; A411-L413 PolarHBondContact O-N 2.82Å; L413-L415 PolarHBondContact O-N 3.21Å; L413-S416 WeakPolarHBondContact O-CA 3.39Å; L413-S416 WeakPolarHBondContact O-CB 3.47Å; L413-S416 PolarHBondContact O-N 2.72Å; L413-S416 PolarHBondContact O-OG 2.03Å; L413-L417 PolarHBondContact O-N 3.2Å
414	C	91.8	Very high	88	Confident	16 Å²	16	75.1 Å²	75.1	11%	0.108	41%	0.414	C	S	.	.	H	α-helix	trans	-57.3	-47.9	174.7	-66.3	0	0	0	0	111.5	A370 A374 L410 A411 S416 L417	A370-C414 WeakPolarHBondContact O-CB 3.45Å; A374-C414 HydrophobicContact CB-CB 3.89Å; L410-C414 PolarHBondContact O-N 3.36Å; L410-C414 PolarHBondContact O-SG 3.1Å; A411-C414 PolarHBondContact O-N 2.93Å; C414-S416 PolarHBondContact O-N 3.19Å; C414-S416 VanDerWaalsContact O-N 3.07Å; C414-L417 WeakPolarHBondContact O-CB 3.27Å; C414-L417 PolarHBondContact O-N 3.36Å
415	L	89.7	Confident	87.1	Confident	91 Å²	91	78.2 Å²	78.2	48%	0.476	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.9	173.8	-68.7	174.1	0	0	0	114.1	A374 A411 L413 I418	A374-L415 HydrophobicContact CB-CD2 3.85Å; A374-L415 HydrophobicContact CB-CG 3.99Å; A411-L415 WeakPolarHBondContact O-CG 3.29Å; A411-L415 PolarHBondContact O-N 3.13Å; L413-L415 PolarHBondContact O-N 3.21Å; L415-I418 HydrophobicContact CD2-CD1 4.07Å
416	S	86.8	Confident	86.6	Confident	61 Å²	61	77 Å²	77	43%	0.427	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-4.8	174.2	73.4	0	0	0	0	114.1	R412 L413 C414	R412-S416 PolarHBondContact O-N 3.1Å; L413-S416 WeakPolarHBondContact O-CA 3.39Å; L413-S416 WeakPolarHBondContact O-CB 3.47Å; L413-S416 PolarHBondContact O-N 2.72Å; L413-S416 PolarHBondContact O-OG 2.03Å; C414-S416 PolarHBondContact O-N 3.19Å; C414-S416 VanDerWaalsContact O-N 3.07Å
417	L	85.8	Confident	86.3	Confident	82 Å²	82	77.2 Å²	77.2	43%	0.429	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-10	174.4	-58.6	174.4	0	0	0	112.9	L366 A370 L413 C414	L366-L417 HydrophobicContact CD1-CD1 4.34Å; A370-L417 HydrophobicContact CB-CB 3.93Å; L413-L417 PolarHBondContact O-N 3.2Å; C414-L417 WeakPolarHBondContact O-CB 3.27Å; C414-L417 PolarHBondContact O-N 3.36Å
418	I	88.1	Confident	86	Confident	52 Å²	52	82.4 Å²	82.4	27%	0.267	43%	0.432	S	S	.	.	S	Bend	trans	-84.1	131.1	174.1	-55.7	178.2	0	0	0	108	T367 A370 E371 L415	T367-I418 HydrophobicContact CG2-CG2 4.49Å; A370-I418 HydrophobicContact CB-CD1 4.49Å; A370-I418 HydrophobicContact CB-CG1 3.82Å; E371-I418 HydrophobicContact CG-CD1 3.86Å; E371-I418 HydrophobicContact CG-CG1 4.43Å; L415-I418 HydrophobicContact CD2-CD1 4.07Å
419	P	84.3	Confident	85.7	Confident	44 Å²	44	86.1 Å²	86.1	29%	0.286	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-73.5	159.1	176	34.2	-37.8	0	0	0	111.7	V362	V362-P419 HydrophobicContact CG1-CG 3.89Å; V362-P419 HydrophobicContact CG2-CB 3.86Å; V362-P419 HydrophobicContact CG2-CG 3.91Å
420	D	83.2	Confident	85.5	Confident	98 Å²	98	82.4 Å²	82.4	52%	0.524	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-71.4	128.6	169.1	177.3	-5.3	0	0	0	110	N422 V423	D420-N422 PolarHBondContact O-N 3.49Å; D420-N422 WeakPolarHBondContact OD1-CB 3.42Å; D420-N422 PolarHBondContact OD1-N 2.97Å; D420-N422 PolarHBondContact OD1-ND2 3.14Å; D420-V423 HydrophobicContact CB-CG2 3.81Å; D420-V423 PolarHBondContact O-N 3.26Å
421	E	77.4	Confident	85.3	Confident	191 Å²	191	78.7 Å²	78.7	89%	0.893	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.4	-177.5	-60.9	-179.8	175.3	0	0	112.9
422	N	80.7	Confident	85	Confident	133 Å²	133	79.5 Å²	79.5	71%	0.711	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	2.6	-171.7	-56.8	-85.2	0	0	0	113.8	D420 V424	D420-N422 PolarHBondContact O-N 3.49Å; D420-N422 WeakPolarHBondContact OD1-CB 3.42Å; D420-N422 PolarHBondContact OD1-N 2.97Å; D420-N422 PolarHBondContact OD1-ND2 3.14Å; N422-V424 PolarHBondContact O-N 3.01Å
423	V	77.6	Confident	84.9	Confident	68 Å²	68	73.8 Å²	73.8	41%	0.412	40%	0.395	S	S	.	.			trans	-83.1	115.8	-172.1	179.4	0	0	0	0	112	D420 Y425	D420-V423 HydrophobicContact CB-CG2 3.81Å; D420-V423 PolarHBondContact O-N 3.26Å; V423-Y425 HydrophobicContact CB-CE1 4.01Å; V423-Y425 HydrophobicContact CG1-CD1 3.97Å; V423-Y425 HydrophobicContact CG1-CE1 3.6Å; V423-Y425 WeakPolarHBondContact O-CD2 3.4Å; V423-Y425 WeakPolarHBondContact O-CE2 3.48Å; V423-Y425 PolarHBondContact O-N 2.95Å
424	V	77.1	Confident	84.9	Confident	119 Å²	119	69.9 Å²	69.9	72%	0.721	38%	0.375	S	S	*	.			trans	-75.4	108.4	176.9	-177.7	0	0	0	0	111.1	N422 C426	N422-V424 PolarHBondContact O-N 3.01Å; V424-C426 PolarHBondContact O-N 2.87Å; V424-C426 VanDerWaalsContact O-N 3.14Å
425	Y	74.2	Confident	84.7	Confident	98 Å²	98	69.4 Å²	69.4	38%	0.384	37%	0.371	S	S	.	.			trans	-82.7	87.8	-176.5	-59.4	-59.3	0	0	0	113.4	V362 V423 P427	V362-Y425 HydrophobicContact CG2-CE1 4.41Å; V423-Y425 HydrophobicContact CB-CE1 4.01Å; V423-Y425 HydrophobicContact CG1-CD1 3.97Å; V423-Y425 HydrophobicContact CG1-CE1 3.6Å; V423-Y425 WeakPolarHBondContact O-CD2 3.4Å; V423-Y425 WeakPolarHBondContact O-CE2 3.48Å; V423-Y425 PolarHBondContact O-N 2.95Å; Y425-P427 WeakPolarHBondContact O-CD 3.41Å
426	C	84.7	Confident	84.6	Confident	59 Å²	59	65.7 Å²	65.7	40%	0.399	35%	0.351	S	S	.	.			trans	-109	68.8	173.1	-72	0	0	0	0	112.3	V424 R428 N429 L430	V424-C426 PolarHBondContact O-N 2.87Å; V424-C426 VanDerWaalsContact O-N 3.14Å; C426-R428 VanDerWaalsContact C-N 3.33Å; C426-R428 PolarHBondContact O-N 3.48Å; C426-N429 PolarHBondContact O-N 3.37Å; C426-L430 WeakPolarHBondContact O-CG 3.37Å; C426-L430 PolarHBondContact O-N 3.21Å
427	P	86.3	Confident	84.7	Confident	32 Å²	32	65.2 Å²	65.2	21%	0.208	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-37.5	-169.8	22.1	-33.7	0	0	0	113.7	Y357 F361 Y425 N429 L430 L431	Y357-P427 HydrophobicContact CD2-CB 4.19Å; Y357-P427 WeakPolarHBondContact CD2-O 3.45Å; Y357-P427 HydrophobicContact CE2-CB 3.99Å; F361-P427 HydrophobicContact CZ-CB 4.49Å; Y425-P427 WeakPolarHBondContact O-CD 3.41Å; P427-N429 PolarHBondContact O-N 3.02Å; P427-L430 PolarHBondContact O-N 3.43Å; P427-L431 VanDerWaalsContact O-CB 3.27Å; P427-L431 WeakPolarHBondContact O-CB 3.46Å; P427-L431 PolarHBondContact O-N 3.46Å
428	R	86.7	Confident	84.9	Confident	118 Å²	118	61.4 Å²	61.4	45%	0.445	32%	0.32	S	S	.	.	H	α-helix	trans	-59.4	-47.1	178.7	-170.9	178.2	-174.6	-121.6	9.4	112.1	C426 L431 V432 A449	C426-R428 VanDerWaalsContact C-N 3.33Å; C426-R428 PolarHBondContact O-N 3.48Å; R428-L431 PolarHBondContact O-N 3.2Å; R428-V432 WeakPolarHBondContact O-CB 3.28Å; R428-V432 VanDerWaalsContact O-CG2 3.25Å; R428-V432 WeakPolarHBondContact O-CG2 3.39Å; R428-V432 PolarHBondContact O-N 3.2Å; R428-A449 HydrophobicContact CB-CB 4.17Å; R428-A449 HydrophobicContact CG-CB 4.25Å
429	N	86.4	Confident	84.9	Confident	106 Å²	106	59.2 Å²	59.2	57%	0.567	31%	0.309	S	S	*	.	H	α-helix	trans	-72.2	-35.9	-176.5	-63.2	11.7	0	0	0	111.4	C426 P427 S433	C426-N429 PolarHBondContact O-N 3.37Å; P427-N429 PolarHBondContact O-N 3.02Å; N429-S433 WeakPolarHBondContact O-CB 3.41Å; N429-S433 PolarHBondContact O-N 3.47Å
430	L	88	Confident	84.9	Confident	37 Å²	37	57.7 Å²	57.7	19%	0.194	30%	0.297	C	S	.	.	H	α-helix	trans	-68.1	-40.6	175.3	-66	168.1	0	0	0	111.9	R356 Y357 C426 P427 S433 T434	R356-L430 HydrophobicContact CB-CD1 4.13Å; R356-L430 HydrophobicContact CB-CD2 3.92Å; Y357-L430 HydrophobicContact CD2-CB 4.49Å; C426-L430 WeakPolarHBondContact O-CG 3.37Å; C426-L430 PolarHBondContact O-N 3.21Å; P427-L430 PolarHBondContact O-N 3.43Å; L430-S433 PolarHBondContact O-N 3.3Å; L430-T434 PolarHBondContact O-N 3.13Å; L430-T434 PolarHBondContact O-OG1 2.94Å
431	L	89.7	Confident	84.5	Confident	2 Å²	2	54 Å²	54	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-46.1	174.4	-175	56	0	0	0	111.1	Y357 P427 R428 S433 T434 L435 W445 A449 V454 F458	Y357-L431 HydrophobicContact CD1-CD1 4.04Å; Y357-L431 HydrophobicContact CD2-CB 3.7Å; Y357-L431 HydrophobicContact CD2-CD1 4.48Å; Y357-L431 HydrophobicContact CE1-CD1 3.83Å; Y357-L431 HydrophobicContact CE2-CB 3.67Å; Y357-L431 HydrophobicContact CE2-CD1 4.27Å; Y357-L431 HydrophobicContact CE2-CD2 4.04Å; Y357-L431 HydrophobicContact CE2-CG 4.18Å; Y357-L431 HydrophobicContact CG-CB 4.25Å; Y357-L431 HydrophobicContact CG-CD1 4.37Å; P427-L431 VanDerWaalsContact O-CB 3.27Å; P427-L431 WeakPolarHBondContact O-CB 3.46Å; P427-L431 PolarHBondContact O-N 3.46Å; R428-L431 PolarHBondContact O-N 3.2Å; L431-S433 PolarHBondContact O-N 2.76Å; L431-T434 CarbonylContact O-C 3.56Å; L431-T434 WeakPolarHBondContact O-CA 3.41Å; L431-T434 WeakPolarHBondContact O-CB 3.46Å; L431-T434 PolarHBondContact O-N 3.33Å; L431-T434 VanDerWaalsContact O-N 3.1Å; L431-L435 HydrophobicContact CD1-CD1 3.83Å; L431-L435 HydrophobicContact CD1-CG 4.09Å; L431-L435 HydrophobicContact CD2-CD1 4.28Å; L431-L435 HydrophobicContact CG-CD1 3.59Å; L431-L435 HydrophobicContact CG-CG 4.29Å; L431-L435 WeakPolarHBondContact O-CB 3.3Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.34Å; L431-L435 PolarHBondContact O-N 3.29Å; L431-W445 HydrophobicContact CD2-CB 4.39Å; L431-A449 HydrophobicContact CD2-CB 3.62Å; L431-V454 HydrophobicContact CD2-CG1 3.95Å; L431-F458 HydrophobicContact CD1-CD2 4.41Å
432	V	87.2	Confident	84.6	Confident	24 Å²	24	46.3 Å²	46.3	15%	0.145	24%	0.244	C	C	.	.	H	α-helix	trans	-56	-49	173.7	161.1	0	0	0	0	112.1	R428 T434 L435 M436 M663 L876	R428-V432 WeakPolarHBondContact O-CB 3.28Å; R428-V432 VanDerWaalsContact O-CG2 3.25Å; R428-V432 WeakPolarHBondContact O-CG2 3.39Å; R428-V432 PolarHBondContact O-N 3.2Å; V432-T434 PolarHBondContact O-N 3.26Å; V432-L435 PolarHBondContact O-N 3.36Å; V432-L435 VanDerWaalsContact O-N 3.08Å; V432-M436 PolarHBondContact O-N 2.97Å; V432-M663 HydrophobicContact CB-SD 4.04Å; V432-M663 HydrophobicContact CG1-SD 3.33Å; V432-M663 WeakPolarHBondContact CG1-SD 3.38Å; V432-M663 HydrophobicContact CG2-CE 3.57Å; V432-M663 HydrophobicContact CG2-SD 3.44Å; V432-M663 WeakPolarHBondContact CG2-SD 3.41Å; V432-L876 HydrophobicContact CG1-CD1 4.29Å
433	S	87.4	Confident	84.2	Confident	37 Å²	37	42.3 Å²	42.3	26%	0.259	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-25	177.9	-178.8	0	0	0	0	113	N429 L430 L431 M436	N429-S433 WeakPolarHBondContact O-CB 3.41Å; N429-S433 PolarHBondContact O-N 3.47Å; L430-S433 PolarHBondContact O-N 3.3Å; L431-S433 PolarHBondContact O-N 2.76Å; S433-M436 WeakPolarHBondContact O-CG 3.1Å
434	T	90.7	Very high	84.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-77.9	-45.4	170.4	-53.1	0	0	0	0	111.5	W325 P353 A354 L430 L431 V432 R437 I438 F458	W325-T434 HydrophobicContact CH2-CG2 4.22Å; P353-T434 VanDerWaalsContact C-OG1 3.27Å; P353-T434 WeakPolarHBondContact CB-OG1 3.49Å; A354-T434 HydrophobicContact CB-CG2 3.81Å; A354-T434 PolarHBondContact N-OG1 2.93Å; L430-T434 PolarHBondContact O-N 3.13Å; L430-T434 PolarHBondContact O-OG1 2.94Å; L431-T434 CarbonylContact O-C 3.56Å; L431-T434 WeakPolarHBondContact O-CA 3.41Å; L431-T434 WeakPolarHBondContact O-CB 3.46Å; L431-T434 PolarHBondContact O-N 3.33Å; L431-T434 VanDerWaalsContact O-N 3.1Å; V432-T434 PolarHBondContact O-N 3.26Å; T434-R437 PolarHBondContact O-N 3.3Å; T434-I438 HydrophobicContact CG2-CG2 4.49Å; T434-I438 PolarHBondContact O-N 3.21Å; T434-F458 HydrophobicContact CG2-CE2 4.08Å; T434-F458 HydrophobicContact CG2-CZ 3.86Å
435	L	87.8	Confident	84.9	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-37.8	-173.1	-72.1	167.6	0	0	0	113.4	L431 V432 R437 I438 H439 Y440 M441 W445	L431-L435 HydrophobicContact CD1-CD1 3.83Å; L431-L435 HydrophobicContact CD1-CG 4.09Å; L431-L435 HydrophobicContact CD2-CD1 4.28Å; L431-L435 HydrophobicContact CG-CD1 3.59Å; L431-L435 HydrophobicContact CG-CG 4.29Å; L431-L435 WeakPolarHBondContact O-CB 3.3Å; L431-L435 VanDerWaalsContact O-CG 3.27Å; L431-L435 WeakPolarHBondContact O-CG 3.34Å; L431-L435 PolarHBondContact O-N 3.29Å; V432-L435 PolarHBondContact O-N 3.36Å; V432-L435 VanDerWaalsContact O-N 3.08Å; L435-R437 PolarHBondContact O-N 3.48Å; L435-I438 HydrophobicContact CD2-CD1 3.92Å; L435-I438 HydrophobicContact CD2-CG1 4.07Å; L435-I438 PolarHBondContact O-N 3.11Å; L435-H439 PolarHBondContact O-N 3.43Å; L435-Y440 WeakPolarHBondContact CD2-O 3.5Å; L435-M441 HydrophobicContact CB-SD 4.22Å; L435-M441 HydrophobicContact CD1-CB 4.49Å; L435-M441 HydrophobicContact CD1-CE 3.61Å; L435-M441 HydrophobicContact CD1-CG 3.87Å; L435-M441 HydrophobicContact CD1-SD 3.76Å; L435-M441 HydrophobicContact CD2-CB 4.04Å; L435-M441 HydrophobicContact CD2-CG 4.24Å; L435-M441 HydrophobicContact CG-CG 4.49Å; L435-M441 HydrophobicContact CG-SD 4.5Å; L435-W445 HydrophobicContact CD1-CE3 4.29Å; L435-W445 HydrophobicContact CD2-CE3 3.76Å; L435-W445 HydrophobicContact CD2-CZ3 3.85Å
436	M	86.2	Confident	84.9	Confident	13 Å²	13	32.4 Å²	32.4	6%	0.064	17%	0.166	C	C	.	.	H	α-helix	trans	-57.7	-29.9	170.2	70.6	-175.1	-69.4	0	0	111.8	V432 S433 H439 S872 V873 L876	V432-M436 PolarHBondContact O-N 2.97Å; S433-M436 WeakPolarHBondContact O-CG 3.1Å; M436-H439 PolarHBondContact O-CD2 3.21Å; M436-S872 WeakPolarHBondContact CE-OG 3.48Å; M436-S872 WeakPolarHBondContact O-CA 3.23Å; M436-S872 WeakPolarHBondContact O-CB 3.32Å; M436-V873 HydrophobicContact CE-CG2 4.09Å; M436-L876 HydrophobicContact CB-CB 4.46Å; M436-L876 HydrophobicContact CB-CD1 4.37Å
437	R	88.4	Confident	84.6	Confident	52 Å²	52	35.6 Å²	35.6	20%	0.196	18%	0.175	C	C	.	.	H	α-helix	trans	-88	-36.2	-180	-63.1	179.4	178	175.8	2.7	113.3	R346 Q349 A350 T434 L435 H439 H845	R346-R437 WeakPolarHBondContact CD-O 3.38Å; R346-R437 WeakPolarHBondContact CG-O 3.27Å; R346-R437 PolarHBondContact NH1-O 2.73Å; Q349-R437 WeakPolarHBondContact O-CD 3.43Å; Q349-R437 PolarHBondContact O-NH1 3.14Å; A350-R437 HydrophobicContact CB-CB 3.95Å; T434-R437 PolarHBondContact O-N 3.3Å; L435-R437 PolarHBondContact O-N 3.48Å; R437-H439 VanDerWaalsContact C-N 3.35Å; R437-H845 PolarHBondContact NH2-CD2 2.93Å; R437-H845 VanDerWaalsContact NH2-CD2 3.33Å; R437-H845 PolarHBondContact NH2-NE2 3.32Å
438	I	90.1	Very high	84.5	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-84.3	-7.1	177.3	67.7	173.6	0	0	0	114	W325 L333 R346 A350 T434 L435 Y440 F458	W325-I438 HydrophobicContact CH2-CG2 3.91Å; W325-I438 HydrophobicContact CZ2-CG2 4.3Å; L333-I438 HydrophobicContact CD1-CB 4.2Å; L333-I438 HydrophobicContact CD1-CD1 4.07Å; L333-I438 HydrophobicContact CD1-CG2 4.23Å; L333-I438 HydrophobicContact CD2-CB 4.44Å; L333-I438 HydrophobicContact CD2-CD1 3.95Å; L333-I438 HydrophobicContact CD2-CG1 4.49Å; R346-I438 PolarHBondContact NH1-O 3.08Å; A350-I438 HydrophobicContact CB-CG2 3.59Å; T434-I438 HydrophobicContact CG2-CG2 4.49Å; T434-I438 PolarHBondContact O-N 3.21Å; L435-I438 HydrophobicContact CD2-CD1 3.92Å; L435-I438 HydrophobicContact CD2-CG1 4.07Å; L435-I438 PolarHBondContact O-N 3.11Å; I438-Y440 WeakPolarHBondContact O-CD2 3.31Å; I438-Y440 PolarHBondContact O-N 3.14Å; I438-F458 HydrophobicContact CD1-CE2 4.26Å
439	H	89.5	Confident	84.5	Confident	7 Å²	7	32.6 Å²	32.6	3%	0.032	16%	0.164	C	C	.	.			trans	60.5	-24.8	178.6	-53.4	153.5	0	0	0	116.6	H335 R346 L435 M436 R437 M871 A875 H879	H335-H439 AromaticContact CD2-ND1 3.96Å; H335-H439 AromaticContact CE1-ND1 3.64Å; H335-H439 AromaticContact NE2-CE1 3.94Å; H335-H439 AromaticContact NE2-CG 3.68Å; H335-H439 AromaticContact NE2-ND1 2.87Å; H335-H439 PolarHBondContact NE2-ND1 3.05Å; R346-H439 WeakPolarHBondContact CD-CE1 3.31Å; R346-H439 PolarHBondContact NH1-ND1 2.64Å; L435-H439 PolarHBondContact O-N 3.43Å; M436-H439 PolarHBondContact O-CD2 3.21Å; R437-H439 VanDerWaalsContact C-N 3.35Å; H439-M871 WeakPolarHBondContact CE1-CG 3.42Å; H439-M871 WeakPolarHBondContact NE2-CG 3.31Å; H439-A875 HydrophobicContact CB-CB 4.17Å; H439-H879 PolarHBondContact O-NE2 3.24Å
440	Y	83	Confident	84.5	Confident	11 Å²	11	30 Å²	30	4%	0.043	16%	0.164	C	C	.	.			trans	-96.4	120.9	180	-66.1	-75.3	0	0	0	111.3	L333 H335 L435 I438 K597 L600	L333-Y440 HydrophobicContact CB-CD2 4.42Å; L333-Y440 HydrophobicContact CD2-CD2 4.42Å; L333-Y440 WeakPolarHBondContact O-CD2 3.34Å; L333-Y440 VanDerWaalsContact O-CE2 3.28Å; L333-Y440 WeakPolarHBondContact O-CE2 3.29Å; H335-Y440 AromaticContact CE1-CE2 3.74Å; H335-Y440 AromaticContact CE1-CZ 3.73Å; H335-Y440 PolarHBondContact CE1-OH 2.97Å; H335-Y440 AromaticContact ND1-CZ 3.75Å; H335-Y440 PolarHBondContact ND1-OH 3.15Å; H335-Y440 AromaticContact NE2-CE2 3.98Å; L435-Y440 WeakPolarHBondContact CD2-O 3.5Å; I438-Y440 WeakPolarHBondContact O-CD2 3.31Å; I438-Y440 PolarHBondContact O-N 3.14Å; Y440-K597 HydrophobicContact CD1-CD 4.45Å; Y440-K597 HydrophobicContact CE1-CB 3.95Å; Y440-K597 HydrophobicContact CE1-CD 3.55Å; Y440-K597 HydrophobicContact CE1-CG 3.73Å; Y440-K597 VanDerWaalsContact OH-CE 3.28Å; Y440-K597 WeakPolarHBondContact OH-CE 3.33Å; Y440-K597 WeakPolarHBondContact OH-CG 3.46Å; Y440-L600 HydrophobicContact CD1-CD1 4.48Å; Y440-L600 HydrophobicContact CE1-CD1 4.31Å
441	M	76.1	Confident	84.5	Confident	21 Å²	21	30.7 Å²	30.7	10%	0.103	17%	0.169	C	C	.	.			trans	-138	113.2	-174.9	178.6	168.1	-167.1	0	0	110.2	L435 K446 H879	L435-M441 HydrophobicContact CB-SD 4.22Å; L435-M441 HydrophobicContact CD1-CB 4.49Å; L435-M441 HydrophobicContact CD1-CE 3.61Å; L435-M441 HydrophobicContact CD1-CG 3.87Å; L435-M441 HydrophobicContact CD1-SD 3.76Å; L435-M441 HydrophobicContact CD2-CB 4.04Å; L435-M441 HydrophobicContact CD2-CG 4.24Å; L435-M441 HydrophobicContact CG-CG 4.49Å; L435-M441 HydrophobicContact CG-SD 4.5Å; M441-K446 VanDerWaalsContact CE-CA 3.47Å; M441-K446 HydrophobicContact CE-CB 3.39Å; M441-K446 HydrophobicContact CE-CD 4.27Å; M441-K446 HydrophobicContact CE-CG 3.86Å; M441-H879 PolarHBondContact O-CE1 3.38Å
442	P	79.2	Confident	84.3	Confident	30 Å²	30	37.3 Å²	37.3	20%	0.195	20%	0.199	C	C	.	.			trans	-67.9	134.9	164.8	-20.6	34.4	0	0	0	111.1	H444 W445	P442-H444 VanDerWaalsContact C-N 3.32Å; P442-H444 PolarHBondContact O-N 3.11Å; P442-W445 HydrophobicContact CB-CD2 4.35Å; P442-W445 HydrophobicContact CB-CG 4.2Å; P442-W445 HydrophobicContact CG-CD2 3.94Å; P442-W445 HydrophobicContact CG-CE3 4.38Å; P442-W445 HydrophobicContact CG-CG 4.31Å; P442-W445 HydrophobicContact CG-CH2 4.34Å; P442-W445 HydrophobicContact CG-CZ2 3.93Å; P442-W445 WeakPolarHBondContact O-CB 3.35Å; P442-W445 PolarHBondContact O-N 3.44Å
443	D	73.1	Confident	84.4	Confident	49 Å²	49	40.3 Å²	40.3	26%	0.262	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-48.3	-174.3	-66.9	-17.6	0	0	0	113.5	W445 K446 R886	D443-W445 PolarHBondContact O-N 3.5Å; D443-W445 VanDerWaalsContact O-N 3.13Å; D443-K446 WeakPolarHBondContact O-CB 3.21Å; D443-K446 PolarHBondContact O-N 2.88Å; D443-R886 WeakPolarHBondContact OD2-CD 3.49Å; D443-R886 IonicContact OD2-CZ 2.8Å; D443-R886 IonicContact OD2-NE 3.18Å; D443-R886 IonicContact OD2-NH1 3.33Å; D443-R886 PolarHBondContact OD2-NH1 2.82Å
444	H	82.5	Confident	84.6	Confident	44 Å²	44	38.5 Å²	38.5	20%	0.204	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-23.7	-174.9	64.3	-62.9	0	0	0	113.3	P442 K446 Q448 E457	P442-H444 VanDerWaalsContact C-N 3.32Å; P442-H444 PolarHBondContact O-N 3.11Å; H444-K446 PolarHBondContact O-N 2.95Å; H444-Q448 VanDerWaalsContact O-CB 3.25Å; H444-Q448 WeakPolarHBondContact O-CB 3.23Å; H444-Q448 PolarHBondContact O-N 3.23Å; H444-E457 IonicContact CE1-OE2 3.67Å; H444-E457 PolarHBondContact CE1-OE2 3.45Å; H444-E457 IonicContact NE2-OE1 3.07Å; H444-E457 PolarHBondContact NE2-OE1 3.38Å; H444-E457 IonicContact NE2-OE2 2.72Å; H444-E457 PolarHBondContact NE2-OE2 2.83Å
445	W	85.5	Confident	84.6	Confident	8 Å²	8	40.1 Å²	40.1	3%	0.03	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-25.4	176.5	-68.5	16.2	0	0	0	112.8	L431 L435 P442 D443 A449 V454 E457 F458 L461	L431-W445 HydrophobicContact CD2-CB 4.39Å; L435-W445 HydrophobicContact CD1-CE3 4.29Å; L435-W445 HydrophobicContact CD2-CE3 3.76Å; L435-W445 HydrophobicContact CD2-CZ3 3.85Å; P442-W445 HydrophobicContact CB-CD2 4.35Å; P442-W445 HydrophobicContact CB-CG 4.2Å; P442-W445 HydrophobicContact CG-CD2 3.94Å; P442-W445 HydrophobicContact CG-CE3 4.38Å; P442-W445 HydrophobicContact CG-CG 4.31Å; P442-W445 HydrophobicContact CG-CH2 4.34Å; P442-W445 HydrophobicContact CG-CZ2 3.93Å; P442-W445 WeakPolarHBondContact O-CB 3.35Å; P442-W445 PolarHBondContact O-N 3.44Å; D443-W445 PolarHBondContact O-N 3.5Å; D443-W445 VanDerWaalsContact O-N 3.13Å; W445-A449 WeakPolarHBondContact O-CA 3.4Å; W445-A449 WeakPolarHBondContact O-CB 3.48Å; W445-A449 PolarHBondContact O-N 3.34Å; W445-V454 HydrophobicContact CB-CG1 3.94Å; W445-V454 HydrophobicContact CD2-CG1 4.02Å; W445-V454 HydrophobicContact CG-CG1 3.62Å; W445-V454 HydrophobicContact CG-CG2 4.28Å; W445-E457 HydrophobicContact CZ2-CB 3.99Å; W445-E457 PolarHBondContact NE1-OE2 3.09Å; W445-F458 HydrophobicContact CE3-CD2 4.5Å; W445-F458 HydrophobicContact CH2-CB 4.33Å; W445-F458 AromaticContact CH2-CD2 3.94Å; W445-F458 HydrophobicContact CH2-CD2 3.94Å; W445-F458 AromaticContact CZ3-CD2 3.7Å; W445-F458 HydrophobicContact CZ3-CD2 3.7Å; W445-F458 HydrophobicContact CZ3-CE2 4.48Å; W445-L461 HydrophobicContact CH2-CD1 3.65Å; W445-L461 HydrophobicContact CZ2-CD1 4.4Å
446	K	75.1	Confident	84.6	Confident	24 Å²	24	41.3 Å²	41.3	10%	0.104	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-48.6	-180	-170.5	166.3	176.4	161.1	0	112.6	M441 D443 H444 M663 E880	M441-K446 VanDerWaalsContact CE-CA 3.47Å; M441-K446 HydrophobicContact CE-CB 3.39Å; M441-K446 HydrophobicContact CE-CD 4.27Å; M441-K446 HydrophobicContact CE-CG 3.86Å; D443-K446 WeakPolarHBondContact O-CB 3.21Å; D443-K446 PolarHBondContact O-N 2.88Å; H444-K446 PolarHBondContact O-N 2.95Å; K446-M663 HydrophobicContact CD-CE 4.2Å; K446-M663 HydrophobicContact CG-CE 4.24Å; K446-E880 IonicContact NZ-OE1 3.64Å; K446-E880 PolarHBondContact NZ-OE1 3.02Å; K446-E880 IonicContact NZ-OE2 3.64Å; K446-E880 PolarHBondContact NZ-OE2 3.19Å
447	E	78.5	Confident	84.8	Confident	126 Å²	126	43 Å²	43	59%	0.589	22%	0.222	S	C	*	.	H	α-helix	trans	-86	-36.7	-174.3	-57.8	-170.3	155.2	0	0	110.5	H883 Q887	E447-H883 IonicContact OE1-CE1 2.68Å; E447-H883 PolarHBondContact OE1-CE1 3.41Å; E447-H883 IonicContact OE1-NE2 3.27Å; E447-Q887 PolarHBondContact OE1-NE2 2.77Å
448	Q	84.3	Confident	85	Confident	82 Å²	82	40.5 Å²	40.5	38%	0.383	21%	0.212	S	C	.	.			trans	-101	23.4	-173.6	-54	-172.9	0.9	0	0	113.3	H444 G450 T451 V454	H444-Q448 VanDerWaalsContact O-CB 3.25Å; H444-Q448 WeakPolarHBondContact O-CB 3.23Å; H444-Q448 PolarHBondContact O-N 3.23Å; Q448-G450 PolarHBondContact O-N 3.01Å; Q448-T451 HydrophobicContact CB-CG2 3.75Å; Q448-T451 WeakPolarHBondContact O-CB 3.43Å; Q448-T451 WeakPolarHBondContact O-CG2 3.42Å; Q448-T451 PolarHBondContact O-N 3.4Å; Q448-T451 PolarHBondContact O-OG1 3.47Å; Q448-V454 HydrophobicContact CB-CG2 3.95Å; Q448-V454 WeakPolarHBondContact O-CG2 3.37Å
449	A	85.5	Confident	85.1	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.041	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-28.5	-174	0	0	0	0	0	115.7	Y357 R428 L431 W445	Y357-A449 WeakPolarHBondContact CE2-O 3.44Å; Y357-A449 PolarHBondContact OH-O 2.87Å; R428-A449 HydrophobicContact CB-CB 4.17Å; R428-A449 HydrophobicContact CG-CB 4.25Å; L431-A449 HydrophobicContact CD2-CB 3.62Å; W445-A449 WeakPolarHBondContact O-CA 3.4Å; W445-A449 WeakPolarHBondContact O-CB 3.48Å; W445-A449 PolarHBondContact O-N 3.34Å
450	G	86	Confident	85.2	Confident	53 Å²	53	43.7 Å²	43.7	55%	0.546	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.6	177.6	0	0	0	0	0	115.3	Q448	Q448-G450 PolarHBondContact O-N 3.01Å
451	T	88.8	Confident	85.6	Confident	50 Å²	50	43.5 Å²	43.5	31%	0.307	23%	0.231	S	C	.	.	S	Bend	trans	-86.1	153.8	-177.9	65.9	0	0	0	0	112.8	Q448 Q453 V454 R455	Q448-T451 HydrophobicContact CB-CG2 3.75Å; Q448-T451 WeakPolarHBondContact O-CB 3.43Å; Q448-T451 WeakPolarHBondContact O-CG2 3.42Å; Q448-T451 PolarHBondContact O-N 3.4Å; Q448-T451 PolarHBondContact O-OG1 3.47Å; T451-Q453 VanDerWaalsContact C-N 3.27Å; T451-Q453 PolarHBondContact O-N 3.11Å; T451-V454 WeakPolarHBondContact OG1-CG2 3.17Å; T451-V454 PolarHBondContact OG1-N 2.64Å; T451-R455 PolarHBondContact O-N 2.68Å; T451-R455 VanDerWaalsContact O-N 3.16Å
452	H	86.3	Confident	86.5	Confident	141 Å²	141	42.5 Å²	42.5	65%	0.653	23%	0.226	S	C	*	.	H	α-helix	trans	-70.2	-24.1	176.5	-155	-79	0	0	0	112.8	R455 S456	H452-R455 PolarHBondContact NE2-NH1 2.76Å; H452-R455 WeakPolarHBondContact O-CB 3.41Å; H452-S456 WeakPolarHBondContact O-CB 3.37Å; H452-S456 PolarHBondContact O-N 2.8Å; H452-S456 PolarHBondContact O-OG 3.39Å
453	Q	88.7	Confident	87.1	Confident	87 Å²	87	42 Å²	42	41%	0.407	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-58.2	171.5	178.6	177.7	-16.5	0	0	110.9	T451 R455 S456 E457	T451-Q453 VanDerWaalsContact C-N 3.27Å; T451-Q453 PolarHBondContact O-N 3.11Å; Q453-R455 VanDerWaalsContact C-N 3.27Å; Q453-R455 PolarHBondContact O-N 3.09Å; Q453-S456 WeakPolarHBondContact O-CA 3.29Å; Q453-S456 WeakPolarHBondContact O-CB 3.42Å; Q453-S456 PolarHBondContact O-N 3.17Å; Q453-S456 PolarHBondContact O-OG 3.42Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.23Å; Q453-E457 PolarHBondContact NE2-OE1 2.79Å; Q453-E457 PolarHBondContact O-N 3.08Å
454	V	91.2	Very high	87.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-39.8	180	177.1	0	0	0	0	111	L431 W445 Q448 T451 S456 E457 F458	L431-V454 HydrophobicContact CD2-CG1 3.95Å; W445-V454 HydrophobicContact CB-CG1 3.94Å; W445-V454 HydrophobicContact CD2-CG1 4.02Å; W445-V454 HydrophobicContact CG-CG1 3.62Å; W445-V454 HydrophobicContact CG-CG2 4.28Å; Q448-V454 HydrophobicContact CB-CG2 3.95Å; Q448-V454 WeakPolarHBondContact O-CG2 3.37Å; T451-V454 WeakPolarHBondContact OG1-CG2 3.17Å; T451-V454 PolarHBondContact OG1-N 2.64Å; V454-S456 VanDerWaalsContact C-N 3.34Å; V454-S456 PolarHBondContact O-N 3.32Å; V454-E457 PolarHBondContact O-N 3.43Å; V454-F458 VanDerWaalsContact O-CB 3.27Å; V454-F458 WeakPolarHBondContact O-CB 3.27Å; V454-F458 PolarHBondContact O-N 3.14Å
455	R	90.5	Very high	88.2	Confident	34 Å²	34	45 Å²	45	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-47	170.7	-172.9	-149.4	-179.3	157.8	13.8	112.2	L358 F361 T451 H452 Q453 S459	L358-R455 HydrophobicContact CD2-CG 3.66Å; F361-R455 HydrophobicContact CB-CG 4.22Å; F361-R455 HydrophobicContact CD1-CB 4.09Å; F361-R455 HydrophobicContact CD1-CG 3.99Å; F361-R455 HydrophobicContact CD2-CB 4.45Å; F361-R455 HydrophobicContact CD2-CG 3.89Å; F361-R455 HydrophobicContact CE1-CB 3.93Å; F361-R455 HydrophobicContact CE1-CG 4.27Å; F361-R455 HydrophobicContact CE2-CB 4.32Å; F361-R455 HydrophobicContact CE2-CG 4.2Å; F361-R455 HydrophobicContact CG-CB 4.35Å; F361-R455 HydrophobicContact CG-CG 3.78Å; F361-R455 HydrophobicContact CZ-CB 4.05Å; F361-R455 HydrophobicContact CZ-CG 4.38Å; F361-R455 VanDerWaalsContact O-CZ 3.26Å; F361-R455 PolarHBondContact O-NH1 2.94Å; F361-R455 PolarHBondContact O-NH2 3.06Å; T451-R455 PolarHBondContact O-N 2.68Å; T451-R455 VanDerWaalsContact O-N 3.16Å; H452-R455 PolarHBondContact NE2-NH1 2.76Å; H452-R455 WeakPolarHBondContact O-CB 3.41Å; Q453-R455 VanDerWaalsContact C-N 3.27Å; Q453-R455 PolarHBondContact O-N 3.09Å; R455-S459 VanDerWaalsContact O-CB 3.3Å; R455-S459 WeakPolarHBondContact O-CB 3.49Å; R455-S459 PolarHBondContact O-N 3.34Å
456	S	89.1	Confident	88.3	Confident	29 Å²	29	47.3 Å²	47.3	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-45.3	-177.3	74.7	0	0	0	0	112	H452 Q453 V454 S459 Q460	H452-S456 WeakPolarHBondContact O-CB 3.37Å; H452-S456 PolarHBondContact O-N 2.8Å; H452-S456 PolarHBondContact O-OG 3.39Å; Q453-S456 WeakPolarHBondContact O-CA 3.29Å; Q453-S456 WeakPolarHBondContact O-CB 3.42Å; Q453-S456 PolarHBondContact O-N 3.17Å; Q453-S456 PolarHBondContact O-OG 3.42Å; V454-S456 VanDerWaalsContact C-N 3.34Å; V454-S456 PolarHBondContact O-N 3.32Å; S456-S459 PolarHBondContact O-N 2.91Å; S456-S459 PolarHBondContact O-OG 2.96Å; S456-Q460 PolarHBondContact O-N 3.29Å
457	E	90.1	Very high	89	Confident	48 Å²	48	49 Å²	49	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-48.3	176.9	-66.3	174.2	-157.8	0	0	111	H444 W445 Q453 V454 S459 Q460	H444-E457 IonicContact CE1-OE2 3.67Å; H444-E457 PolarHBondContact CE1-OE2 3.45Å; H444-E457 IonicContact NE2-OE1 3.07Å; H444-E457 PolarHBondContact NE2-OE1 3.38Å; H444-E457 IonicContact NE2-OE2 2.72Å; H444-E457 PolarHBondContact NE2-OE2 2.83Å; W445-E457 HydrophobicContact CZ2-CB 3.99Å; W445-E457 PolarHBondContact NE1-OE2 3.09Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.23Å; Q453-E457 PolarHBondContact NE2-OE1 2.79Å; Q453-E457 PolarHBondContact O-N 3.08Å; V454-E457 PolarHBondContact O-N 3.43Å; E457-S459 VanDerWaalsContact C-N 3.25Å; E457-S459 PolarHBondContact O-N 3.13Å; E457-Q460 WeakPolarHBondContact O-CB 3.36Å; E457-Q460 PolarHBondContact O-N 2.96Å; E457-Q460 VanDerWaalsContact O-N 3.14Å
458	F	92.7	Very high	89.5	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-31.8	175.9	-172.2	-97.1	0	0	0	112.3	W325 A354 Y357 L358 L431 T434 I438 W445 V454 Q460 L461 F462	W325-F458 HydrophobicContact CH2-CE2 4.34Å; W325-F458 AromaticContact CH2-CZ 3.93Å; W325-F458 HydrophobicContact CH2-CZ 3.93Å; W325-F458 HydrophobicContact CZ3-CE2 4.39Å; W325-F458 HydrophobicContact CZ3-CZ 4.17Å; A354-F458 HydrophobicContact CB-CE1 4.18Å; A354-F458 HydrophobicContact CB-CZ 3.85Å; Y357-F458 AromaticContact CD1-CD1 3.74Å; Y357-F458 HydrophobicContact CD1-CD1 3.74Å; Y357-F458 AromaticContact CD1-CE1 3.91Å; Y357-F458 HydrophobicContact CD1-CE1 3.91Å; Y357-F458 HydrophobicContact CD1-CG 4.33Å; Y357-F458 HydrophobicContact CE1-CB 4.29Å; Y357-F458 AromaticContact CE1-CD1 3.84Å; Y357-F458 HydrophobicContact CE1-CD1 3.84Å; Y357-F458 HydrophobicContact CE1-CE1 4.45Å; Y357-F458 HydrophobicContact CE1-CG 4.07Å; L358-F458 HydrophobicContact CD1-CD1 3.76Å; L358-F458 HydrophobicContact CD1-CE1 4.03Å; L358-F458 HydrophobicContact CD2-CD1 3.86Å; L358-F458 HydrophobicContact CG-CD1 3.66Å; L358-F458 HydrophobicContact CG-CE1 3.95Å; L431-F458 HydrophobicContact CD1-CD2 4.41Å; T434-F458 HydrophobicContact CG2-CE2 4.08Å; T434-F458 HydrophobicContact CG2-CZ 3.86Å; I438-F458 HydrophobicContact CD1-CE2 4.26Å; W445-F458 HydrophobicContact CE3-CD2 4.5Å; W445-F458 HydrophobicContact CH2-CB 4.33Å; W445-F458 AromaticContact CH2-CD2 3.94Å; W445-F458 HydrophobicContact CH2-CD2 3.94Å; W445-F458 AromaticContact CZ3-CD2 3.7Å; W445-F458 HydrophobicContact CZ3-CD2 3.7Å; W445-F458 HydrophobicContact CZ3-CE2 4.48Å; V454-F458 VanDerWaalsContact O-CB 3.27Å; V454-F458 WeakPolarHBondContact O-CB 3.27Å; V454-F458 PolarHBondContact O-N 3.14Å; F458-Q460 VanDerWaalsContact C-N 3.28Å; F458-Q460 PolarHBondContact O-N 3.48Å; F458-L461 WeakPolarHBondContact O-CB 3.36Å; F458-L461 PolarHBondContact O-N 3.28Å; F458-F462 HydrophobicContact CD1-CB 4.31Å; F458-F462 HydrophobicContact CE1-CB 3.76Å; F458-F462 HydrophobicContact CE1-CD1 4.21Å; F458-F462 HydrophobicContact CE1-CG 4.34Å; F458-F462 HydrophobicContact CZ-CB 4.19Å; F458-F462 PolarHBondContact O-N 3.06Å
459	S	91.4	Very high	89.7	Confident	38 Å²	38	39.7 Å²	39.7	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-69.5	-19.1	176.6	78.8	0	0	0	0	114.8	R455 S456 E457 L461 F462 Q463	R455-S459 VanDerWaalsContact O-CB 3.3Å; R455-S459 WeakPolarHBondContact O-CB 3.49Å; R455-S459 PolarHBondContact O-N 3.34Å; S456-S459 PolarHBondContact O-N 2.91Å; S456-S459 PolarHBondContact O-OG 2.96Å; E457-S459 VanDerWaalsContact C-N 3.25Å; E457-S459 PolarHBondContact O-N 3.13Å; S459-L461 VanDerWaalsContact C-N 3.28Å; S459-F462 CarbonylContact O-C 3.58Å; S459-Q463 VanDerWaalsContact O-CA 3.29Å; S459-Q463 WeakPolarHBondContact O-CA 3.29Å; S459-Q463 PolarHBondContact O-N 3.5Å
460	Q	90.8	Very high	89.9	Confident	38 Å²	38	43.1 Å²	43.1	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-72	-24.7	169.5	-61.7	174.5	-5.2	0	0	111.9	Q232 V234 S326 S456 E457 F458	Q232-Q460 PolarHBondContact O-NE2 2.91Å; Q232-Q460 VanDerWaalsContact O-NE2 3.16Å; V234-Q460 HydrophobicContact CG2-CB 4.03Å; V234-Q460 HydrophobicContact CG2-CG 4.14Å; S326-Q460 WeakPolarHBondContact CB-O 3.32Å; S326-Q460 PolarHBondContact OG-O 2.99Å; S456-Q460 PolarHBondContact O-N 3.29Å; E457-Q460 WeakPolarHBondContact O-CB 3.36Å; E457-Q460 PolarHBondContact O-N 2.96Å; E457-Q460 VanDerWaalsContact O-N 3.14Å; F458-Q460 VanDerWaalsContact C-N 3.28Å; F458-Q460 PolarHBondContact O-N 3.48Å
461	L	92.6	Very high	90.2	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-90.2	-36.3	175.2	-66.1	156.1	0	0	0	111.5	W325 S326 Y328 A329 Y332 L333 W445 F458 S459	W325-L461 WeakPolarHBondContact CA-O 3.44Å; S326-L461 PolarHBondContact N-O 3.03Å; S326-L461 PolarHBondContact OG-O 3.22Å; Y328-L461 HydrophobicContact CD1-CD2 3.74Å; Y328-L461 HydrophobicContact CE1-CD2 3.74Å; Y328-L461 HydrophobicContact CE1-CG 4.45Å; A329-L461 HydrophobicContact CB-CB 4.04Å; A329-L461 HydrophobicContact CB-CD2 3.58Å; A329-L461 HydrophobicContact CB-CG 4.44Å; A329-L461 WeakPolarHBondContact CB-O 3.44Å; Y332-L461 HydrophobicContact CD1-CD2 3.85Å; Y332-L461 HydrophobicContact CG-CD2 4.47Å; L333-L461 HydrophobicContact CD1-CD2 4.44Å; L333-L461 HydrophobicContact CD2-CD2 4.44Å; L333-L461 HydrophobicContact CG-CD2 4.23Å; W445-L461 HydrophobicContact CH2-CD1 3.65Å; W445-L461 HydrophobicContact CZ2-CD1 4.4Å; F458-L461 WeakPolarHBondContact O-CB 3.36Å; F458-L461 PolarHBondContact O-N 3.28Å; S459-L461 VanDerWaalsContact C-N 3.28Å
462	F	94.4	Very high	90.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-119.6	62.3	-179.1	-158.5	-129	0	0	0	112.6	R323 R324 W325 Y351 A354 L358 F458 S459	R323-F462 HydrophobicContact CB-CD1 3.89Å; R323-F462 HydrophobicContact CB-CD2 4.39Å; R323-F462 HydrophobicContact CB-CE1 3.47Å; R323-F462 VanDerWaalsContact CB-CE1 3.47Å; R323-F462 HydrophobicContact CB-CE2 4.03Å; R323-F462 HydrophobicContact CB-CG 4.32Å; R323-F462 HydrophobicContact CB-CZ 3.56Å; R323-F462 VanDerWaalsContact CD-CD1 3.41Å; R323-F462 VanDerWaalsContact CD-CE1 3.42Å; R323-F462 HydrophobicContact CG-CD1 4.27Å; R323-F462 HydrophobicContact CG-CE1 4.06Å; R323-F462 PolarHBondContact NH1-O 2.79Å; R324-F462 CarbonylContact O-C 3.57Å; W325-F462 AromaticContact CD1-CE2 3.95Å; W325-F462 AromaticContact CD2-CD2 3.48Å; W325-F462 HydrophobicContact CD2-CD2 3.48Å; W325-F462 VanDerWaalsContact CD2-CD2 3.48Å; W325-F462 AromaticContact CD2-CE2 3.93Å; W325-F462 HydrophobicContact CD2-CE2 3.93Å; W325-F462 HydrophobicContact CD2-CG 4.44Å; W325-F462 AromaticContact CE2-CD2 3.72Å; W325-F462 AromaticContact CE2-CE2 3.81Å; W325-F462 HydrophobicContact CE3-CB 4.15Å; W325-F462 AromaticContact CE3-CD2 3.72Å; W325-F462 HydrophobicContact CE3-CD2 3.72Å; W325-F462 HydrophobicContact CE3-CG 4.3Å; W325-F462 AromaticContact CG-CD2 3.86Å; W325-F462 HydrophobicContact CG-CD2 3.86Å; W325-F462 HydrophobicContact CG-CE2 4.04Å; W325-F462 HydrophobicContact CH2-CD2 4.38Å; W325-F462 HydrophobicContact CZ2-CD2 4.18Å; W325-F462 HydrophobicContact CZ2-CE2 4.37Å; W325-F462 HydrophobicContact CZ3-CB 4.1Å; W325-F462 HydrophobicContact CZ3-CD2 4.17Å; W325-F462 HydrophobicContact CZ3-CG 4.38Å; W325-F462 AromaticContact NE1-CE2 3.83Å; Y351-F462 AromaticContact CD2-CE2 3.65Å; Y351-F462 HydrophobicContact CD2-CE2 3.65Å; Y351-F462 AromaticContact CD2-CZ 3.56Å; Y351-F462 HydrophobicContact CD2-CZ 3.56Å; Y351-F462 AromaticContact CE2-CE2 3.85Å; Y351-F462 HydrophobicContact CE2-CE2 3.85Å; Y351-F462 AromaticContact CE2-CZ 3.59Å; Y351-F462 HydrophobicContact CE2-CZ 3.59Å; Y351-F462 HydrophobicContact CG-CZ 4.25Å; A354-F462 HydrophobicContact CB-CD1 3.82Å; A354-F462 HydrophobicContact CB-CE1 3.77Å; A354-F462 HydrophobicContact CB-CG 4.3Å; A354-F462 HydrophobicContact CB-CZ 4.17Å; L358-F462 HydrophobicContact CD1-CB 4.24Å; L358-F462 HydrophobicContact CD1-CD1 4.11Å; F458-F462 HydrophobicContact CD1-CB 4.31Å; F458-F462 HydrophobicContact CE1-CB 3.76Å; F458-F462 HydrophobicContact CE1-CD1 4.21Å; F458-F462 HydrophobicContact CE1-CG 4.34Å; F458-F462 HydrophobicContact CZ-CB 4.19Å; F458-F462 PolarHBondContact O-N 3.06Å; S459-F462 CarbonylContact O-C 3.58Å
463	Q	91.9	Very high	90.4	Very high	19 Å²	19	33.7 Å²	33.7	9%	0.089	17%	0.165	C	C	.	.			trans	-68.4	164.9	-176.6	69.9	-172.5	73.6	0	0	113.5	R323 R324 S459 E471	R323-Q463 CarbonylContact C-O 3.44Å; R323-Q463 WeakPolarHBondContact CA-O 3.45Å; R324-Q463 HydrophobicContact CG-CG 4.14Å; R324-Q463 PolarHBondContact N-O 3.35Å; R324-Q463 PolarHBondContact O-N 2.94Å; R324-Q463 VanDerWaalsContact O-N 3.17Å; R324-Q463 VanDerWaalsContact O-O 3.06Å; S459-Q463 VanDerWaalsContact O-CA 3.29Å; S459-Q463 WeakPolarHBondContact O-CA 3.29Å; S459-Q463 PolarHBondContact O-N 3.5Å; Q463-E471 VanDerWaalsContact NE2-CD 3.3Å; Q463-E471 PolarHBondContact NE2-OE1 3.25Å; Q463-E471 PolarHBondContact NE2-OE2 3.49Å
464	Y	89.6	Confident	90.6	Very high	103 Å²	103	34 Å²	34	40%	0.404	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-67.2	143	170.2	-70.6	-76.4	0	0	0	111.6	F321 R323 M466 V467 G468	F321-Y464 WeakPolarHBondContact O-CD1 3.32Å; R323-Y464 HydrophobicContact CG-CD1 4.42Å; R323-Y464 VanDerWaalsContact NH2-CZ 3.27Å; R323-Y464 PolarHBondContact NH2-OH 3.14Å; Y464-M466 VanDerWaalsContact C-N 3.33Å; Y464-M466 PolarHBondContact O-N 2.75Å; Y464-V467 PolarHBondContact O-N 3.02Å; Y464-V467 VanDerWaalsContact O-N 3.17Å; Y464-G468 PolarHBondContact O-N 3.49Å; Y464-G468 VanDerWaalsContact O-N 3.14Å
465	R	90	Very high	90.7	Very high	54 Å²	54	34.1 Å²	34.1	20%	0.204	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-41	177.7	-179.1	176.6	-69.3	122	3.8	111.1	T319 F320 G322 R323 V467 G468 L469	T319-R465 PolarHBondContact O-NH1 3.47Å; F320-R465 WeakPolarHBondContact O-CB 3.48Å; G322-R465 WeakPolarHBondContact O-CB 3.22Å; G322-R465 PolarHBondContact O-N 2.97Å; R323-R465 PolarHBondContact O-NH2 3.31Å; R323-R465 VanDerWaalsContact O-NH2 3.1Å; R465-V467 PolarHBondContact O-N 3.44Å; R465-G468 PolarHBondContact O-N 2.98Å; R465-L469 HydrophobicContact CG-CD1 3.99Å; R465-L469 HydrophobicContact CG-CG 4.48Å; R465-L469 VanDerWaalsContact O-CG 3.3Å; R465-L469 WeakPolarHBondContact O-CG 3.49Å; R465-L469 PolarHBondContact O-N 3.43Å
466	M	86.6	Confident	90.8	Very high	56 Å²	56	32.8 Å²	32.8	28%	0.276	16%	0.162	S	C	.	.	H	α-helix	trans	-54.5	-48.8	170.5	-85.4	-54.2	-68.7	0	0	113.8	F320 F321 Y464 G468 L469 L470	F320-M466 HydrophobicContact CB-CG 3.82Å; F320-M466 HydrophobicContact CB-SD 3.77Å; F320-M466 HydrophobicContact CD1-SD 4.02Å; F320-M466 HydrophobicContact CG-SD 4.16Å; F320-M466 WeakPolarHBondContact O-CG 3.2Å; F320-M466 PolarHBondContact O-N 3.4Å; F321-M466 HydrophobicContact CD1-CG 4.46Å; F321-M466 HydrophobicContact CE1-CG 4.37Å; Y464-M466 VanDerWaalsContact C-N 3.33Å; Y464-M466 PolarHBondContact O-N 2.75Å; M466-G468 PolarHBondContact O-N 2.98Å; M466-L469 PolarHBondContact O-N 2.91Å; M466-L469 VanDerWaalsContact O-N 3.07Å; M466-L470 HydrophobicContact CE-CG 4.48Å; M466-L470 WeakPolarHBondContact O-CG 3.45Å; M466-L470 PolarHBondContact O-N 2.99Å
467	V	90.3	Very high	91	Very high	60 Å²	60	34.3 Å²	34.3	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-57.7	-43.8	179.3	172.6	0	0	0	0	110	Y464 R465 L469 L470 E471	Y464-V467 PolarHBondContact O-N 3.02Å; Y464-V467 VanDerWaalsContact O-N 3.17Å; R465-V467 PolarHBondContact O-N 3.44Å; V467-L469 VanDerWaalsContact C-N 3.35Å; V467-L469 PolarHBondContact O-N 3.21Å; V467-L470 PolarHBondContact O-N 3.12Å; V467-E471 WeakPolarHBondContact CG1-OE1 3.39Å; V467-E471 WeakPolarHBondContact O-CG 3.2Å; V467-E471 PolarHBondContact O-N 3.16Å
468	G	89.2	Confident	91.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-26.7	176.4	0	0	0	0	0	116.2	R324 Y464 R465 M466 E471 E472	R324-G468 VanDerWaalsContact CZ-CA 3.49Å; R324-G468 PolarHBondContact NH2-O 3.4Å; Y464-G468 PolarHBondContact O-N 3.49Å; Y464-G468 VanDerWaalsContact O-N 3.14Å; R465-G468 PolarHBondContact O-N 2.98Å; M466-G468 PolarHBondContact O-N 2.98Å; G468-E471 WeakPolarHBondContact CA-OE2 3.4Å; G468-E472 WeakPolarHBondContact O-CG 3.48Å; G468-E472 PolarHBondContact O-N 3.39Å
469	L	87.8	Confident	91.3	Very high	11 Å²	11	35.2 Å²	35.2	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-78.1	-35.3	174.1	-68.9	165.5	0	0	0	111.2	F305 F320 R465 M466 V467 E472 L473 M826	F305-L469 HydrophobicContact CD2-CD2 4.21Å; F305-L469 HydrophobicContact CE2-CB 4.01Å; F305-L469 HydrophobicContact CE2-CD1 3.9Å; F305-L469 HydrophobicContact CE2-CD2 3.8Å; F305-L469 HydrophobicContact CE2-CG 4.1Å; F305-L469 HydrophobicContact CZ-CB 4.38Å; F305-L469 HydrophobicContact CZ-CD1 4.36Å; F320-L469 HydrophobicContact CD1-CD1 3.72Å; F320-L469 HydrophobicContact CE1-CD1 4.09Å; R465-L469 HydrophobicContact CG-CD1 3.99Å; R465-L469 HydrophobicContact CG-CG 4.48Å; R465-L469 VanDerWaalsContact O-CG 3.3Å; R465-L469 WeakPolarHBondContact O-CG 3.49Å; R465-L469 PolarHBondContact O-N 3.43Å; M466-L469 PolarHBondContact O-N 2.91Å; M466-L469 VanDerWaalsContact O-N 3.07Å; V467-L469 VanDerWaalsContact C-N 3.35Å; V467-L469 PolarHBondContact O-N 3.21Å; L469-E472 PolarHBondContact O-N 2.72Å; L469-L473 VanDerWaalsContact O-CB 3.25Å; L469-L473 WeakPolarHBondContact O-CB 3.35Å; L469-L473 PolarHBondContact O-N 3Å; L469-M826 HydrophobicContact CD2-CE 3.96Å
470	L	90.4	Very high	91.5	Very high	77 Å²	77	33.4 Å²	33.4	40%	0.403	16%	0.163	S	C	.	.	H	α-helix	trans	-68	-38	172.7	-64.1	173.7	0	0	0	111.8	M466 V467 L473 F474	M466-L470 HydrophobicContact CE-CG 4.48Å; M466-L470 WeakPolarHBondContact O-CG 3.45Å; M466-L470 PolarHBondContact O-N 2.99Å; V467-L470 PolarHBondContact O-N 3.12Å; L470-L473 PolarHBondContact O-N 3.14Å; L470-F474 HydrophobicContact CB-CD2 4.41Å; L470-F474 HydrophobicContact CD2-CE2 4.17Å; L470-F474 VanDerWaalsContact O-CD2 3.28Å; L470-F474 WeakPolarHBondContact O-CD2 3.44Å; L470-F474 PolarHBondContact O-N 3.25Å
471	E	91.2	Very high	91.8	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-50.1	171.4	-76.7	162.1	-169.7	0	0	112.1	Y235 P237 R324 Q463 V467 G468 S475	Y235-E471 HydrophobicContact CD2-CG 4.49Å; P237-E471 HydrophobicContact CB-CB 4.5Å; R324-E471 IonicContact NH2-OE2 3.11Å; Q463-E471 VanDerWaalsContact NE2-CD 3.3Å; Q463-E471 PolarHBondContact NE2-OE1 3.25Å; Q463-E471 PolarHBondContact NE2-OE2 3.49Å; V467-E471 WeakPolarHBondContact CG1-OE1 3.39Å; V467-E471 WeakPolarHBondContact O-CG 3.2Å; V467-E471 PolarHBondContact O-N 3.16Å; G468-E471 WeakPolarHBondContact CA-OE2 3.4Å; E471-S475 WeakPolarHBondContact O-CA 3.22Å; E471-S475 VanDerWaalsContact O-CB 3.27Å; E471-S475 WeakPolarHBondContact O-CB 3.32Å; E471-S475 PolarHBondContact O-N 3.3Å
472	E	90	Very high	91.9	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-71.1	-28.1	178.4	-61.3	-55.3	157.7	0	0	113.2	P237 D238 Q301 N327 G468 L469 S475	P237-E472 WeakPolarHBondContact CA-OE1 3.47Å; P237-E472 VanDerWaalsContact CB-CD 3.46Å; P237-E472 WeakPolarHBondContact CB-OE1 3.16Å; P237-E472 VanDerWaalsContact CB-OE2 3.26Å; P237-E472 WeakPolarHBondContact CB-OE2 3.43Å; D238-E472 VanDerWaalsContact N-CD 3.33Å; D238-E472 PolarHBondContact N-OE1 3.37Å; D238-E472 PolarHBondContact N-OE2 3.19Å; Q301-E472 PolarHBondContact NE2-O 2.89Å; N327-E472 PolarHBondContact ND2-OE1 3.21Å; G468-E472 WeakPolarHBondContact O-CG 3.48Å; G468-E472 PolarHBondContact O-N 3.39Å; L469-E472 PolarHBondContact O-N 2.72Å; E472-S475 WeakPolarHBondContact O-CB 3.27Å
473	L	90.5	Very high	92	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-73.7	-43.4	177.8	-178.9	60.3	0	0	0	112.1	F298 Q301 L302 L469 L470 P476	F298-L473 VanDerWaalsContact CD2-O 3.29Å; F298-L473 WeakPolarHBondContact CD2-O 3.41Å; F298-L473 HydrophobicContact CE2-CD1 4.09Å; F298-L473 HydrophobicContact CE2-CG 4.04Å; F298-L473 WeakPolarHBondContact CE2-O 3.29Å; Q301-L473 HydrophobicContact CG-CD1 4.06Å; L302-L473 HydrophobicContact CB-CD1 4.05Å; L302-L473 HydrophobicContact CD1-CD1 4.11Å; L302-L473 HydrophobicContact CD1-CD2 4.33Å; L469-L473 VanDerWaalsContact O-CB 3.25Å; L469-L473 WeakPolarHBondContact O-CB 3.35Å; L469-L473 PolarHBondContact O-N 3Å; L470-L473 PolarHBondContact O-N 3.14Å; L473-P476 VanDerWaalsContact O-CD 3.29Å; L473-P476 WeakPolarHBondContact O-CD 3.45Å
474	F	92	Very high	92.2	Very high	92 Å²	92	35.8 Å²	35.8	40%	0.404	18%	0.177	S	C	.	.	H	α-helix	trans	-87.2	-5.3	176.5	-65.4	-63.2	0	0	0	113.7	F298 L470 P476 V477 I478	F298-F474 AromaticContact CE2-CD1 3.84Å; F298-F474 HydrophobicContact CE2-CD1 3.84Å; F298-F474 AromaticContact CE2-CE1 3.94Å; F298-F474 HydrophobicContact CE2-CE1 3.94Å; F298-F474 HydrophobicContact CZ-CD1 4.49Å; F298-F474 HydrophobicContact CZ-CE1 4.15Å; L470-F474 HydrophobicContact CB-CD2 4.41Å; L470-F474 HydrophobicContact CD2-CE2 4.17Å; L470-F474 VanDerWaalsContact O-CD2 3.28Å; L470-F474 WeakPolarHBondContact O-CD2 3.44Å; L470-F474 PolarHBondContact O-N 3.25Å; F474-P476 VanDerWaalsContact C-N 3.32Å; F474-V477 PolarHBondContact O-N 3.45Å; F474-I478 HydrophobicContact CB-CD1 3.76Å; F474-I478 HydrophobicContact CB-CG1 4.32Å; F474-I478 PolarHBondContact O-N 3.45Å
475	S	93.7	Very high	92.4	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-46.7	-42.5	175.7	-173.9	0	0	0	0	114.7	Y235 E471 E472 V477 T479	Y235-S475 WeakPolarHBondContact OH-CA 3.48Å; E471-S475 WeakPolarHBondContact O-CA 3.22Å; E471-S475 VanDerWaalsContact O-CB 3.27Å; E471-S475 WeakPolarHBondContact O-CB 3.32Å; E471-S475 PolarHBondContact O-N 3.3Å; E472-S475 WeakPolarHBondContact O-CB 3.27Å; S475-V477 PolarHBondContact O-N 2.87Å; S475-T479 WeakPolarHBondContact O-CB 3.36Å; S475-T479 PolarHBondContact O-N 3.15Å; S475-T479 PolarHBondContact O-OG1 2.96Å; S475-T479 PolarHBondContact OG-OG1 2.89Å
476	P	92.9	Very high	92.7	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.032	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-22.3	178.6	-22.7	35.5	0	0	0	114.5	A294 I297 L473 F474 P480	A294-P476 VanDerWaalsContact CB-O 3.27Å; A294-P476 WeakPolarHBondContact CB-O 3.46Å; I297-P476 HydrophobicContact CB-CB 3.98Å; I297-P476 HydrophobicContact CB-CG 4.22Å; I297-P476 HydrophobicContact CG2-CB 3.72Å; I297-P476 HydrophobicContact CG2-CG 3.5Å; L473-P476 VanDerWaalsContact O-CD 3.29Å; L473-P476 WeakPolarHBondContact O-CD 3.45Å; F474-P476 VanDerWaalsContact C-N 3.32Å; P476-P480 WeakPolarHBondContact O-CD 3.39Å; P476-P480 VanDerWaalsContact O-CG 3.25Å; P476-P480 WeakPolarHBondContact O-CG 3.38Å
477	V	92.5	Very high	93.1	Very high	62 Å²	62	35 Å²	35	38%	0.376	18%	0.178	S	C	.	.	H	α-helix	trans	-99.3	-42.7	-177.7	-177.3	0	0	0	0	111.4	F474 S475 P480 L481	F474-V477 PolarHBondContact O-N 3.45Å; S475-V477 PolarHBondContact O-N 2.87Å; V477-P480 WeakPolarHBondContact O-CD 3.44Å; V477-P480 WeakPolarHBondContact O-CG 3.47Å; V477-L481 WeakPolarHBondContact O-CG 3.21Å
478	I	94.5	Very high	93.4	Very high	67 Å²	67	32.4 Å²	32.4	34%	0.344	16%	0.162	S	C	.	.	H	α-helix	trans	-77.6	-40.5	-176.6	-62.2	170.5	0	0	0	111.3	Y235 F474 L481 I482	Y235-I478 HydrophobicContact CD2-CG2 4.46Å; Y235-I478 HydrophobicContact CE1-CG2 3.92Å; Y235-I478 HydrophobicContact CE2-CB 4.18Å; Y235-I478 HydrophobicContact CE2-CD1 4.19Å; Y235-I478 HydrophobicContact CE2-CG2 3.79Å; Y235-I478 VanDerWaalsContact CZ-CG2 3.47Å; Y235-I478 WeakPolarHBondContact OH-CB 3.12Å; F474-I478 HydrophobicContact CB-CD1 3.76Å; F474-I478 HydrophobicContact CB-CG1 4.32Å; F474-I478 PolarHBondContact O-N 3.45Å; I478-L481 PolarHBondContact O-N 3.33Å; I478-I482 HydrophobicContact CG2-CD1 3.91Å; I478-I482 HydrophobicContact CG2-CG1 4.47Å; I478-I482 PolarHBondContact O-N 3.14Å
479	T	95.4	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-50.3	-179.1	-59.3	0	0	0	0	113.7	Y235 Y240 S475 L481 I482 L483	Y235-T479 PolarHBondContact OH-OG1 3.09Å; Y235-T479 VanDerWaalsContact OH-OG1 3.09Å; Y240-T479 HydrophobicContact CD2-CG2 4.02Å; Y240-T479 HydrophobicContact CG-CG2 4.38Å; S475-T479 WeakPolarHBondContact O-CB 3.36Å; S475-T479 PolarHBondContact O-N 3.15Å; S475-T479 PolarHBondContact O-OG1 2.96Å; S475-T479 PolarHBondContact OG-OG1 2.89Å; T479-L481 VanDerWaalsContact C-N 3.26Å; T479-L481 PolarHBondContact O-N 3.04Å; T479-I482 PolarHBondContact O-N 3.49Å; T479-L483 HydrophobicContact CG2-CD1 4.09Å; T479-L483 HydrophobicContact CG2-CG 4.36Å; T479-L483 WeakPolarHBondContact O-CG 3.05Å; T479-L483 PolarHBondContact O-N 3.44Å
480	P	95.9	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-32.1	178	21.2	-32.3	0	0	0	113.7	G287 N290 L291 P476 V477 L483 I484	G287-P480 VanDerWaalsContact O-CB 3.24Å; G287-P480 WeakPolarHBondContact O-CB 3.42Å; N290-P480 HydrophobicContact CB-CB 3.93Å; L291-P480 HydrophobicContact CB-CB 3.91Å; L291-P480 HydrophobicContact CB-CG 4.32Å; L291-P480 HydrophobicContact CD1-CB 4.31Å; L291-P480 HydrophobicContact CD1-CG 4.02Å; P476-P480 WeakPolarHBondContact O-CD 3.39Å; P476-P480 VanDerWaalsContact O-CG 3.25Å; P476-P480 WeakPolarHBondContact O-CG 3.38Å; V477-P480 WeakPolarHBondContact O-CD 3.44Å; V477-P480 WeakPolarHBondContact O-CG 3.47Å; P480-L483 PolarHBondContact O-N 3.2Å; P480-I484 VanDerWaalsContact O-CG1 3.24Å; P480-I484 WeakPolarHBondContact O-CG1 3.44Å; P480-I484 PolarHBondContact O-N 3.29Å
481	L	95.6	Very high	94.3	Very high	76 Å²	76	36 Å²	36	40%	0.398	18%	0.18	S	C	.	.	H	α-helix	trans	-66.2	-42.3	176.6	-60.4	173.5	0	0	0	111.5	V477 I478 T479 L483 I484 F485	V477-L481 WeakPolarHBondContact O-CG 3.21Å; I478-L481 PolarHBondContact O-N 3.33Å; T479-L481 VanDerWaalsContact C-N 3.26Å; T479-L481 PolarHBondContact O-N 3.04Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L481-L483 PolarHBondContact O-N 3.28Å; L481-I484 PolarHBondContact O-N 3.42Å; L481-F485 HydrophobicContact CD2-CD2 4.5Å; L481-F485 HydrophobicContact CD2-CE2 4.04Å; L481-F485 WeakPolarHBondContact O-CD2 3.28Å; L481-F485 PolarHBondContact O-N 3.06Å
482	I	95.4	Very high	94.5	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.046	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-40.9	173.9	-64.1	168.3	0	0	0	110.6	F223 Y235 Y240 I478 T479 I486 L487	F223-I482 HydrophobicContact CE1-CD1 4.38Å; F223-I482 HydrophobicContact CE1-CG1 4.35Å; F223-I482 HydrophobicContact CE1-CG2 4.48Å; F223-I482 HydrophobicContact CE2-CD1 4.25Å; F223-I482 HydrophobicContact CZ-CD1 3.81Å; F223-I482 HydrophobicContact CZ-CG1 4.21Å; F223-I482 HydrophobicContact CZ-CG2 4.14Å; Y235-I482 HydrophobicContact CD1-CD1 3.44Å; Y235-I482 VanDerWaalsContact CD1-CD1 3.44Å; Y235-I482 HydrophobicContact CE1-CD1 3.36Å; Y235-I482 HydrophobicContact CG-CD1 4.48Å; Y240-I482 HydrophobicContact CE1-CG2 4.35Å; Y240-I482 HydrophobicContact CE2-CG2 4.16Å; I478-I482 HydrophobicContact CG2-CD1 3.91Å; I478-I482 HydrophobicContact CG2-CG1 4.47Å; I478-I482 PolarHBondContact O-N 3.14Å; T479-I482 PolarHBondContact O-N 3.49Å; I482-I486 HydrophobicContact CG1-CD1 4.39Å; I482-I486 HydrophobicContact CG2-CB 4.38Å; I482-I486 PolarHBondContact O-N 2.88Å; I482-L487 PolarHBondContact O-N 2.9Å
483	L	95.7	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-32.5	177.2	-63.9	175.9	0	0	0	113.5	Y240 N243 I247 I283 N290 T479 P480 L481 L487 P488	Y240-L483 HydrophobicContact CE2-CD2 4.12Å; N243-L483 HydrophobicContact CB-CD1 3.96Å; N243-L483 HydrophobicContact CB-CD2 4.46Å; I247-L483 HydrophobicContact CD1-CD2 3.83Å; I283-L483 HydrophobicContact CG2-CB 4.32Å; I283-L483 HydrophobicContact CG2-CD2 4.17Å; I283-L483 WeakPolarHBondContact CG2-O 3.31Å; N290-L483 WeakPolarHBondContact ND2-CD1 3.43Å; T479-L483 HydrophobicContact CG2-CD1 4.09Å; T479-L483 HydrophobicContact CG2-CG 4.36Å; T479-L483 WeakPolarHBondContact O-CG 3.05Å; T479-L483 PolarHBondContact O-N 3.44Å; P480-L483 PolarHBondContact O-N 3.2Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L481-L483 PolarHBondContact O-N 3.28Å; L483-L487 HydrophobicContact CD2-CD2 3.6Å; L483-P488 WeakPolarHBondContact O-CD 3.36Å; L483-P488 WeakPolarHBondContact O-CG 3.31Å
484	I	96.4	Very high	95	Very high	28 Å²	28	40.8 Å²	40.8	14%	0.144	21%	0.205	C	C	.	.	H	α-helix	trans	-81.1	-41	-179.7	-67.2	164.3	0	0	0	111.6	L291 P480 L481	L291-I484 HydrophobicContact CD2-CD1 4.06Å; P480-I484 VanDerWaalsContact O-CG1 3.24Å; P480-I484 WeakPolarHBondContact O-CG1 3.44Å; P480-I484 PolarHBondContact O-N 3.29Å; L481-I484 PolarHBondContact O-N 3.42Å
485	F	95.6	Very high	95.2	Very high	133 Å²	133	36.5 Å²	36.5	58%	0.583	19%	0.186	S	C	*	.	H	α-helix	trans	-110.1	-27.9	-165.6	-61	-66.4	0	0	0	115.8	L481 N489	L481-F485 HydrophobicContact CD2-CD2 4.5Å; L481-F485 HydrophobicContact CD2-CE2 4.04Å; L481-F485 WeakPolarHBondContact O-CD2 3.28Å; L481-F485 PolarHBondContact O-N 3.06Å; F485-N489 PolarHBondContact O-ND2 3.49Å
486	I	95.3	Very high	95.2	Very high	60 Å²	60	37.5 Å²	37.5	31%	0.308	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-60.6	-169.4	-51.7	179.5	0	0	0	111.4	P220 F223 I482 P488 N489	P220-I486 HydrophobicContact CB-CG2 4.01Å; P220-I486 HydrophobicContact CG-CG2 4.09Å; F223-I486 HydrophobicContact CD1-CD1 4.05Å; F223-I486 HydrophobicContact CE1-CD1 3.67Å; F223-I486 HydrophobicContact CE1-CG2 4.32Å; I482-I486 HydrophobicContact CG1-CD1 4.39Å; I482-I486 HydrophobicContact CG2-CB 4.38Å; I482-I486 PolarHBondContact O-N 2.88Å; I486-P488 VanDerWaalsContact C-N 3.32Å; I486-N489 WeakPolarHBondContact O-CB 3.37Å; I486-N489 PolarHBondContact O-N 2.98Å
487	L	95.2	Very high	95.4	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-55.6	-35.7	-177.7	-173.1	64.8	0	0	0	114.3	P220 Y240 L244 I247 I283 I482 L483 N489 H490	P220-L487 HydrophobicContact CG-CD1 3.98Å; Y240-L487 HydrophobicContact CE2-CD2 4.48Å; L244-L487 HydrophobicContact CD2-CD1 4.41Å; L244-L487 HydrophobicContact CD2-CD2 3.86Å; I247-L487 HydrophobicContact CD1-CD2 4.01Å; I283-L487 HydrophobicContact CD1-CD2 4.13Å; I283-L487 HydrophobicContact CD1-CG 4.22Å; I283-L487 HydrophobicContact CG2-CB 4.37Å; I283-L487 HydrophobicContact CG2-CD2 3.95Å; I283-L487 HydrophobicContact CG2-CG 4.28Å; I482-L487 PolarHBondContact O-N 2.9Å; L483-L487 HydrophobicContact CD2-CD2 3.6Å; L487-N489 PolarHBondContact O-N 3.36Å; L487-N489 VanDerWaalsContact O-N 3.1Å; L487-H490 PolarHBondContact O-N 3.43Å; L487-H490 VanDerWaalsContact O-N 3.15Å
488	P	96.3	Very high	95.5	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.032	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-61.1	-17.3	177.3	-28	39	0	0	0	115.2	A280 I283 R284 L483 I486 T491	A280-P488 HydrophobicContact CB-CB 4.01Å; I283-P488 HydrophobicContact CG2-CG 4.08Å; R284-P488 HydrophobicContact CG-CB 4.2Å; R284-P488 HydrophobicContact CG-CG 3.65Å; L483-P488 WeakPolarHBondContact O-CD 3.36Å; L483-P488 WeakPolarHBondContact O-CG 3.31Å; I486-P488 VanDerWaalsContact C-N 3.32Å; P488-T491 PolarHBondContact O-OG1 3.39Å
489	N	94.8	Very high	95.5	Very high	104 Å²	104	33.5 Å²	33.5	56%	0.556	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-84.6	-26.3	180	-51	-28.8	0	0	0	111.6	F485 I486 L487 T491	F485-N489 PolarHBondContact O-ND2 3.49Å; I486-N489 WeakPolarHBondContact O-CB 3.37Å; I486-N489 PolarHBondContact O-N 2.98Å; L487-N489 PolarHBondContact O-N 3.36Å; L487-N489 VanDerWaalsContact O-N 3.1Å; N489-T491 VanDerWaalsContact C-N 3.35Å
490	H	95.2	Very high	95.4	Very high	52 Å²	52	36 Å²	36	24%	0.241	18%	0.177	C	C	.	.	S	Bend	trans	-88.2	4.3	178.3	-66.7	-84.4	0	0	0	113.3	L487 L492 E493 V494	L487-H490 PolarHBondContact O-N 3.43Å; L487-H490 VanDerWaalsContact O-N 3.15Å; H490-L492 VanDerWaalsContact C-N 3.28Å; H490-L492 PolarHBondContact O-N 3.28Å; H490-E493 IonicContact CE1-OE2 3.55Å; H490-E493 IonicContact CG-OE2 3.79Å; H490-E493 IonicContact ND1-OE1 3.56Å; H490-E493 IonicContact ND1-OE2 2.66Å; H490-E493 PolarHBondContact ND1-OE2 3.33Å; H490-E493 WeakPolarHBondContact O-CB 3.32Å; H490-E493 PolarHBondContact O-N 3.41Å; H490-E493 VanDerWaalsContact O-N 3.17Å; H490-V494 PolarHBondContact O-N 3.06Å; H490-V494 VanDerWaalsContact O-N 3.07Å
491	T	95.7	Very high	95.3	Very high	8 Å²	8	36.7 Å²	36.7	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-26.1	-174.5	55.2	0	0	0	0	114	A276 L279 A280 I283 P488 N489 V494 V495	A276-T491 WeakPolarHBondContact O-CB 3.48Å; A276-T491 PolarHBondContact O-OG1 3.32Å; L279-T491 HydrophobicContact CB-CG2 4.36Å; L279-T491 HydrophobicContact CD2-CG2 4.19Å; L279-T491 HydrophobicContact CG-CG2 4Å; A280-T491 HydrophobicContact CB-CG2 4.05Å; I283-T491 HydrophobicContact CD1-CG2 3.71Å; P488-T491 PolarHBondContact O-OG1 3.39Å; N489-T491 VanDerWaalsContact C-N 3.35Å; T491-V494 PolarHBondContact O-N 3.11Å; T491-V495 VanDerWaalsContact O-CG2 3.27Å; T491-V495 WeakPolarHBondContact O-CG2 3.38Å; T491-V495 PolarHBondContact O-N 3.31Å
492	L	95.9	Very high	95.3	Very high	53 Å²	53	34 Å²	34	28%	0.277	17%	0.167	S	C	.	.	H	α-helix	trans	-65.9	-43.6	173.1	-175.4	62.8	0	0	0	111	R272 A276 H490 V494 V495 D496	R272-L492 HydrophobicContact CG-CD1 4.23Å; A276-L492 HydrophobicContact CB-CB 4.17Å; A276-L492 HydrophobicContact CB-CD1 4.06Å; H490-L492 VanDerWaalsContact C-N 3.28Å; H490-L492 PolarHBondContact O-N 3.28Å; L492-V494 VanDerWaalsContact C-N 3.35Å; L492-V494 PolarHBondContact O-N 3.17Å; L492-V495 PolarHBondContact O-N 2.93Å; L492-D496 WeakPolarHBondContact O-CB 3.45Å; L492-D496 PolarHBondContact O-N 3.4Å
493	E	95.2	Very high	95.2	Very high	86 Å²	86	35.4 Å²	35.4	40%	0.402	18%	0.176	S	C	.	.	H	α-helix	trans	-63.4	-41.1	176.7	-59.9	163.6	-174.7	0	0	111	I218 H490 F497	I218-E493 HydrophobicContact CG2-CB 4.08Å; H490-E493 IonicContact CE1-OE2 3.55Å; H490-E493 IonicContact CG-OE2 3.79Å; H490-E493 IonicContact ND1-OE1 3.56Å; H490-E493 IonicContact ND1-OE2 2.66Å; H490-E493 PolarHBondContact ND1-OE2 3.33Å; H490-E493 WeakPolarHBondContact O-CB 3.32Å; H490-E493 PolarHBondContact O-N 3.41Å; H490-E493 VanDerWaalsContact O-N 3.17Å; E493-F497 WeakPolarHBondContact O-CB 3.37Å; E493-F497 PolarHBondContact O-N 3.29Å
494	V	95.7	Very high	95	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.055	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-40.4	174.2	173.5	0	0	0	0	112.2	M213 I218 L248 L279 H490 T491 L492 L498	M213-V494 HydrophobicContact CE-CG1 4.32Å; I218-V494 HydrophobicContact CG2-CG2 3.94Å; L248-V494 HydrophobicContact CD2-CG1 3.88Å; L279-V494 HydrophobicContact CD2-CG1 4.09Å; H490-V494 PolarHBondContact O-N 3.06Å; H490-V494 VanDerWaalsContact O-N 3.07Å; T491-V494 PolarHBondContact O-N 3.11Å; L492-V494 VanDerWaalsContact C-N 3.35Å; L492-V494 PolarHBondContact O-N 3.17Å; V494-L498 HydrophobicContact CG1-CD1 4.18Å; V494-L498 WeakPolarHBondContact O-CB 3.35Å; V494-L498 VanDerWaalsContact O-CG 3.3Å; V494-L498 WeakPolarHBondContact O-CG 3.13Å; V494-L498 PolarHBondContact O-N 2.85Å
495	V	96.1	Very high	94.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-70	-46.8	177.4	169.2	0	0	0	0	111.4	Y266 R272 L275 A276 L279 T491 L492 F497 L498 R499	Y266-V495 HydrophobicContact CD1-CG1 4.46Å; Y266-V495 HydrophobicContact CD1-CG2 4.41Å; Y266-V495 HydrophobicContact CE1-CG2 3.95Å; R272-V495 HydrophobicContact CB-CG1 4.14Å; L275-V495 HydrophobicContact CB-CG1 4.27Å; L275-V495 HydrophobicContact CB-CG2 4.29Å; A276-V495 HydrophobicContact CB-CG2 4.29Å; L279-V495 HydrophobicContact CD2-CG2 4.17Å; T491-V495 VanDerWaalsContact O-CG2 3.27Å; T491-V495 WeakPolarHBondContact O-CG2 3.38Å; T491-V495 PolarHBondContact O-N 3.31Å; L492-V495 PolarHBondContact O-N 2.93Å; V495-F497 VanDerWaalsContact C-N 3.29Å; V495-F497 PolarHBondContact O-N 3.42Å; V495-L498 PolarHBondContact O-N 3.47Å; V495-R499 PolarHBondContact O-N 2.89Å
496	D	95	Very high	94.2	Very high	24 Å²	24	39.8 Å²	39.8	13%	0.128	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-35.2	177	-80.5	-35.8	0	0	0	111.5	R272 L492 R499 N500	R272-D496 VanDerWaalsContact CD-OD1 3.25Å; R272-D496 WeakPolarHBondContact CD-OD1 3.28Å; R272-D496 IonicContact CZ-OD2 2.67Å; R272-D496 IonicContact NH1-OD1 3.81Å; R272-D496 IonicContact NH1-OD2 3.75Å; R272-D496 PolarHBondContact NH1-OD2 3.38Å; L492-D496 WeakPolarHBondContact O-CB 3.45Å; L492-D496 PolarHBondContact O-N 3.4Å; D496-R499 IonicContact OD1-CZ 2.69Å; D496-R499 IonicContact OD1-NH1 3.16Å; D496-R499 PolarHBondContact OD1-NH1 2.78Å; D496-R499 IonicContact OD1-NH2 2.75Å; D496-R499 PolarHBondContact OD1-NH2 3.33Å; D496-N500 VanDerWaalsContact O-CB 3.26Å; D496-N500 WeakPolarHBondContact O-CB 3.5Å; D496-N500 PolarHBondContact O-N 2.91Å; D496-N500 PolarHBondContact O-OD1 2.77Å
497	F	95.4	Very high	93.5	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-49.8	171.4	171.2	-88.1	0	0	0	112.6	Y209 A212 M213 I218 E493 V495 R499 N500 Y501 F514	Y209-F497 HydrophobicContact CD1-CE1 4.08Å; A212-F497 HydrophobicContact CB-CE2 4.05Å; A212-F497 HydrophobicContact CB-CZ 3.72Å; M213-F497 HydrophobicContact CE-CD1 3.52Å; M213-F497 HydrophobicContact CE-CE1 3.54Å; M213-F497 HydrophobicContact CG-CD1 3.88Å; M213-F497 HydrophobicContact CG-CE1 3.5Å; M213-F497 HydrophobicContact CG-CE2 4.38Å; M213-F497 HydrophobicContact CG-CG 4.48Å; M213-F497 HydrophobicContact CG-CZ 3.79Å; M213-F497 HydrophobicContact SD-CE1 4.32Å; I218-F497 HydrophobicContact CD1-CB 3.88Å; I218-F497 HydrophobicContact CD1-CD2 3.19Å; I218-F497 HydrophobicContact CD1-CE2 3.92Å; I218-F497 HydrophobicContact CD1-CG 3.69Å; E493-F497 WeakPolarHBondContact O-CB 3.37Å; E493-F497 PolarHBondContact O-N 3.29Å; V495-F497 VanDerWaalsContact C-N 3.29Å; V495-F497 PolarHBondContact O-N 3.42Å; F497-R499 PolarHBondContact O-N 2.84Å; F497-N500 PolarHBondContact O-N 2.96Å; F497-Y501 HydrophobicContact CB-CD2 4.31Å; F497-Y501 AromaticContact CD2-CD2 3.26Å; F497-Y501 HydrophobicContact CD2-CD2 3.26Å; F497-Y501 AromaticContact CD2-CE2 3.93Å; F497-Y501 HydrophobicContact CD2-CE2 3.93Å; F497-Y501 HydrophobicContact CD2-CG 4.04Å; F497-Y501 AromaticContact CE2-CD2 3.69Å; F497-Y501 HydrophobicContact CE2-CD2 3.69Å; F497-Y501 HydrophobicContact CE2-CG 4Å; F497-Y501 AromaticContact CG-CD2 3.93Å; F497-Y501 HydrophobicContact CG-CD2 3.93Å; F497-Y501 WeakPolarHBondContact O-CD2 3.26Å; F497-Y501 PolarHBondContact O-N 3.47Å; F497-F514 HydrophobicContact CE2-CE2 4.16Å
498	L	95.3	Very high	93.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-28.6	-179.8	-75	172	0	0	0	112.4	Y209 M213 L248 P255 F256 Y266 V494 V495 T502	Y209-L498 HydrophobicContact CD1-CD2 4.47Å; M213-L498 HydrophobicContact CE-CD2 3.9Å; M213-L498 HydrophobicContact CE-CG 4.12Å; L248-L498 HydrophobicContact CD2-CD1 4.46Å; P255-L498 HydrophobicContact CB-CD1 3.68Å; P255-L498 HydrophobicContact CG-CD1 3.74Å; F256-L498 HydrophobicContact CE2-CD2 4.16Å; Y266-L498 HydrophobicContact CD1-CB 4.49Å; Y266-L498 HydrophobicContact CD1-CD1 4.26Å; Y266-L498 HydrophobicContact CE1-CD1 4.37Å; V494-L498 HydrophobicContact CG1-CD1 4.18Å; V494-L498 WeakPolarHBondContact O-CB 3.35Å; V494-L498 VanDerWaalsContact O-CG 3.3Å; V494-L498 WeakPolarHBondContact O-CG 3.13Å; V494-L498 PolarHBondContact O-N 2.85Å; V495-L498 PolarHBondContact O-N 3.47Å; L498-T502 WeakPolarHBondContact O-CB 3.46Å; L498-T502 PolarHBondContact O-OG1 3.49Å; L498-T502 VanDerWaalsContact O-OG1 3.06Å
499	R	94.3	Very high	92.8	Very high	45 Å²	45	38.7 Å²	38.7	17%	0.17	21%	0.213	C	C	.	.	H	α-helix	trans	-73.9	-49.7	170.5	-170.5	-172.8	61.8	-113.8	-15.2	112.1	Y266 V495 D496 F497	Y266-R499 VanDerWaalsContact O-CB 3.29Å; Y266-R499 WeakPolarHBondContact O-CB 3.46Å; Y266-R499 WeakPolarHBondContact O-CG 3.45Å; V495-R499 PolarHBondContact O-N 2.89Å; D496-R499 IonicContact OD1-CZ 2.69Å; D496-R499 IonicContact OD1-NH1 3.16Å; D496-R499 PolarHBondContact OD1-NH1 2.78Å; D496-R499 IonicContact OD1-NH2 2.75Å; D496-R499 PolarHBondContact OD1-NH2 3.33Å; F497-R499 PolarHBondContact O-N 2.84Å
500	N	93.2	Very high	92.8	Very high	52 Å²	52	33.8 Å²	33.8	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-78.1	-27.5	-168.3	-67.9	4.6	0	0	0	113.7	D496 F497 R521	D496-N500 VanDerWaalsContact O-CB 3.26Å; D496-N500 WeakPolarHBondContact O-CB 3.5Å; D496-N500 PolarHBondContact O-N 2.91Å; D496-N500 PolarHBondContact O-OD1 2.77Å; F497-N500 PolarHBondContact O-N 2.96Å; N500-R521 PolarHBondContact O-NH2 3.22Å
501	Y	94.2	Very high	92.8	Very high	15 Å²	15	31.3 Å²	31.3	6%	0.059	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	19.7	-172.9	-58.1	-71.8	0	0	0	114.4	F497 C512 S513 F514 H522 Q590 H591	F497-Y501 HydrophobicContact CB-CD2 4.31Å; F497-Y501 AromaticContact CD2-CD2 3.26Å; F497-Y501 HydrophobicContact CD2-CD2 3.26Å; F497-Y501 AromaticContact CD2-CE2 3.93Å; F497-Y501 HydrophobicContact CD2-CE2 3.93Å; F497-Y501 HydrophobicContact CD2-CG 4.04Å; F497-Y501 AromaticContact CE2-CD2 3.69Å; F497-Y501 HydrophobicContact CE2-CD2 3.69Å; F497-Y501 HydrophobicContact CE2-CG 4Å; F497-Y501 AromaticContact CG-CD2 3.93Å; F497-Y501 HydrophobicContact CG-CD2 3.93Å; F497-Y501 WeakPolarHBondContact O-CD2 3.26Å; F497-Y501 PolarHBondContact O-N 3.47Å; Y501-C512 WeakPolarHBondContact O-CA 3.49Å; Y501-S513 PolarHBondContact O-N 3.43Å; Y501-S513 PolarHBondContact O-OG 3.17Å; Y501-F514 HydrophobicContact CD1-CD2 4.22Å; Y501-F514 AromaticContact CD1-CE2 3.32Å; Y501-F514 HydrophobicContact CD1-CE2 3.32Å; Y501-F514 AromaticContact CD1-CZ 3.49Å; Y501-F514 HydrophobicContact CD1-CZ 3.49Å; Y501-F514 VanDerWaalsContact CD1-CZ 3.49Å; Y501-F514 HydrophobicContact CD2-CE2 4.35Å; Y501-F514 HydrophobicContact CE1-CE1 4.5Å; Y501-F514 AromaticContact CE1-CE2 3.86Å; Y501-F514 HydrophobicContact CE1-CE2 3.86Å; Y501-F514 AromaticContact CE1-CZ 3.54Å; Y501-F514 HydrophobicContact CE1-CZ 3.54Å; Y501-F514 HydrophobicContact CG-CD2 4.48Å; Y501-F514 AromaticContact CG-CE2 3.62Å; Y501-F514 HydrophobicContact CG-CE2 3.62Å; Y501-F514 HydrophobicContact CG-CZ 4.19Å; Y501-H522 AromaticContact CD1-CE1 3.74Å; Y501-H522 AromaticContact CE1-CE1 3.84Å; Y501-Q590 PolarHBondContact OH-O 3.01Å; Y501-H591 AromaticContact CE1-ND1 3.53Å; Y501-H591 AromaticContact CZ-ND1 3.5Å; Y501-H591 WeakPolarHBondContact OH-CA 3.36Å; Y501-H591 PolarHBondContact OH-ND1 2.98Å
502	T	94.8	Very high	92.8	Very high	19 Å²	19	31 Å²	31	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.1	165.2	-72.4	0	0	0	0	109.8	Y209 L262 L498 D510	Y209-T502 WeakPolarHBondContact CE1-OG1 3.39Å; Y209-T502 PolarHBondContact OH-OG1 2.7Å; L262-T502 HydrophobicContact CD2-CG2 4.26Å; L498-T502 WeakPolarHBondContact O-CB 3.46Å; L498-T502 PolarHBondContact O-OG1 3.49Å; L498-T502 VanDerWaalsContact O-OG1 3.06Å; T502-D510 HydrophobicContact CG2-CB 3.66Å; T502-D510 WeakPolarHBondContact CG2-OD1 3.4Å
503	V	93.3	Very high	92.7	Very high	38 Å²	38	28.5 Å²	28.5	23%	0.23	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.3	173.7	170	0	0	0	0	108.7	V505 V511 R521	V503-V505 HydrophobicContact CG1-CG2 4.27Å; V503-V505 PolarHBondContact O-N 2.89Å; V503-V511 PolarHBondContact N-O 2.9Å; V503-V511 PolarHBondContact O-N 3.02Å; V503-R521 VanDerWaalsContact CG2-NH1 3.28Å
504	E	92.8	Very high	92.6	Very high	126 Å²	126	24.5 Å²	24.5	59%	0.589	14%	0.142	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.1	178.8	-167.2	164.5	167.6	0	0	109.6	K267	K267-E504 IonicContact NZ-OE2 3.18Å; K267-E504 PolarHBondContact NZ-OE2 2.88Å
505	V	90.4	Very high	92.5	Very high	17 Å²	17	24.1 Å²	24.1	10%	0.103	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.7	-176.3	176.8	0	0	0	0	109.2	V503 G507 V508 G509 V511 Q516	V503-V505 HydrophobicContact CG1-CG2 4.27Å; V503-V505 PolarHBondContact O-N 2.89Å; V505-G507 PolarHBondContact O-N 3.24Å; V505-V508 HydrophobicContact CB-CB 4.08Å; V505-V508 HydrophobicContact CG1-CB 4Å; V505-V508 HydrophobicContact CG1-CG2 4.11Å; V505-V508 PolarHBondContact O-N 3.05Å; V505-G509 PolarHBondContact N-O 3.43Å; V505-G509 PolarHBondContact O-N 3.3Å; V505-V511 HydrophobicContact CB-CG2 4.36Å; V505-V511 HydrophobicContact CG2-CB 4.11Å; V505-V511 HydrophobicContact CG2-CG2 4.05Å; V505-Q516 HydrophobicContact CG2-CG 4.46Å
506	P	84.6	Confident	92.4	Very high	110 Å²	110	26.3 Å²	26.3	71%	0.714	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	129.3	-174.3	22.7	-33.3	0	0	0	112	V508	P506-V508 PolarHBondContact O-N 3.4Å
507	G	80.3	Confident	92.3	Very high	26 Å²	26	25.4 Å²	25.4	27%	0.268	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-20.4	-174.4	0	0	0	0	0	115.4	R202 V505	R202-G507 PolarHBondContact NH2-O 2.87Å; V505-G507 PolarHBondContact O-N 3.24Å
508	V	87.5	Confident	91.9	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.024	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-33.7	-179.2	-178.4	0	0	0	0	113	D198 R202 R205 V505 P506 V511	D198-V508 HydrophobicContact CB-CG2 4.08Å; D198-V508 WeakPolarHBondContact OD1-CG2 3.27Å; R202-V508 HydrophobicContact CG-CG1 4.12Å; R205-V508 PolarHBondContact NH1-O 3.25Å; R205-V508 PolarHBondContact NH2-O 3.48Å; V505-V508 HydrophobicContact CB-CB 4.08Å; V505-V508 HydrophobicContact CG1-CB 4Å; V505-V508 HydrophobicContact CG1-CG2 4.11Å; V505-V508 PolarHBondContact O-N 3.05Å; P506-V508 PolarHBondContact O-N 3.4Å; V508-V511 HydrophobicContact CG1-CG2 3.72Å
509	G	90.2	Very high	91.5	Very high	17 Å²	17	28.3 Å²	28.3	18%	0.175	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.7	-152.3	-177.2	0	0	0	0	0	113.5	V505 V511	V505-G509 PolarHBondContact N-O 3.43Å; V505-G509 PolarHBondContact O-N 3.3Å; G509-V511 PolarHBondContact O-N 3.02Å
510	D	94.3	Very high	91.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	108.4	-170.1	-73.6	-44	0	0	0	112.9	R205 Y209 F256 W260 Q261 L262 K267 T502	R205-D510 WeakPolarHBondContact CD-O 3.45Å; R205-D510 VanDerWaalsContact NH1-C 3.28Å; R205-D510 PolarHBondContact NH1-O 2.83Å; Y209-D510 PolarHBondContact OH-O 3.33Å; F256-D510 HydrophobicContact CE1-CB 4.35Å; W260-D510 PolarHBondContact O-N 3.36Å; Q261-D510 WeakPolarHBondContact CA-OD2 3.35Å; L262-D510 HydrophobicContact CB-CB 4.36Å; L262-D510 PolarHBondContact N-OD2 3.24Å; K267-D510 VanDerWaalsContact CE-OD1 3.27Å; K267-D510 WeakPolarHBondContact CE-OD1 3.43Å; K267-D510 IonicContact NZ-OD1 2.73Å; K267-D510 PolarHBondContact NZ-OD1 2.83Å; K267-D510 IonicContact NZ-OD2 2.75Å; K267-D510 PolarHBondContact NZ-OD2 2.85Å; T502-D510 HydrophobicContact CG2-CB 3.66Å; T502-D510 WeakPolarHBondContact CG2-OD1 3.4Å
511	V	94.3	Very high	90.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148.1	-176.7	-178.5	0	0	0	0	110.5	N201 Y209 V503 V505 V508 G509 S513 A515	N201-V511 HydrophobicContact CB-CG1 4.16Å; N201-V511 HydrophobicContact CB-CG2 4.4Å; N201-V511 WeakPolarHBondContact OD1-CG1 3.39Å; Y209-V511 PolarHBondContact OH-O 3.41Å; V503-V511 PolarHBondContact N-O 2.9Å; V503-V511 PolarHBondContact O-N 3.02Å; V505-V511 HydrophobicContact CB-CG2 4.36Å; V505-V511 HydrophobicContact CG2-CB 4.11Å; V505-V511 HydrophobicContact CG2-CG2 4.05Å; V508-V511 HydrophobicContact CG1-CG2 3.72Å; G509-V511 PolarHBondContact O-N 3.02Å; V511-S513 PolarHBondContact O-N 3.27Å; V511-A515 HydrophobicContact CG1-CB 4.37Å
512	C	95.2	Very high	90.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	124.3	172.8	-176	0	0	0	0	109.6	N208 Y209 Y501 F514 A515	N208-C512 HydrophobicContact CB-CB 4.13Å; Y209-C512 HydrophobicContact CD1-CB 3.6Å; Y209-C512 HydrophobicContact CD2-CB 4.23Å; Y209-C512 HydrophobicContact CE1-CB 3.64Å; Y209-C512 HydrophobicContact CE2-CB 4.25Å; Y209-C512 HydrophobicContact CG-CB 3.92Å; Y209-C512 VanDerWaalsContact CZ-N 3.33Å; Y209-C512 PolarHBondContact OH-N 3.18Å; Y501-C512 WeakPolarHBondContact O-CA 3.49Å; C512-F514 VanDerWaalsContact C-N 3.28Å; C512-F514 PolarHBondContact O-N 3.24Å; C512-A515 HydrophobicContact CB-CB 4.35Å; C512-A515 WeakPolarHBondContact O-CA 3.12Å; C512-A515 WeakPolarHBondContact O-CB 3.19Å; C512-A515 PolarHBondContact O-N 3.17Å
513	S	94	Very high	89.6	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.014	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60.8	-36.4	-171.3	69.6	0	0	0	0	113	Y501 V511 A515 Q516 H522	Y501-S513 PolarHBondContact O-N 3.43Å; Y501-S513 PolarHBondContact O-OG 3.17Å; V511-S513 PolarHBondContact O-N 3.27Å; S513-A515 PolarHBondContact O-N 3.26Å; S513-Q516 WeakPolarHBondContact O-CB 3.2Å; S513-Q516 PolarHBondContact O-N 2.96Å; S513-H522 WeakPolarHBondContact CB-NE2 3.26Å; S513-H522 PolarHBondContact OG-CE1 3.37Å; S513-H522 VanDerWaalsContact OG-CE1 3.29Å; S513-H522 PolarHBondContact OG-NE2 2.93Å
514	F	94	Very high	89.2	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.009	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-59.5	-27.8	172.7	-61.3	-75.3	0	0	0	113.2	A212 F336 F497 Y501 C512 Q516 L517 H522 A593 I598	A212-F514 HydrophobicContact CB-CD2 3.65Å; A212-F514 HydrophobicContact CB-CE2 4.17Å; A212-F514 HydrophobicContact CB-CG 4.44Å; F336-F514 HydrophobicContact CD1-CB 4.27Å; F336-F514 HydrophobicContact CD2-CB 4.16Å; F336-F514 HydrophobicContact CE1-CB 3.78Å; F336-F514 HydrophobicContact CE2-CB 3.65Å; F336-F514 HydrophobicContact CE2-CG 4.35Å; F336-F514 HydrophobicContact CG-CB 4.45Å; F336-F514 HydrophobicContact CZ-CB 3.43Å; F336-F514 VanDerWaalsContact CZ-CB 3.43Å; F336-F514 HydrophobicContact CZ-CG 4.01Å; F497-F514 HydrophobicContact CE2-CE2 4.16Å; Y501-F514 HydrophobicContact CD1-CD2 4.22Å; Y501-F514 AromaticContact CD1-CE2 3.32Å; Y501-F514 HydrophobicContact CD1-CE2 3.32Å; Y501-F514 AromaticContact CD1-CZ 3.49Å; Y501-F514 HydrophobicContact CD1-CZ 3.49Å; Y501-F514 VanDerWaalsContact CD1-CZ 3.49Å; Y501-F514 HydrophobicContact CD2-CE2 4.35Å; Y501-F514 HydrophobicContact CE1-CE1 4.5Å; Y501-F514 AromaticContact CE1-CE2 3.86Å; Y501-F514 HydrophobicContact CE1-CE2 3.86Å; Y501-F514 AromaticContact CE1-CZ 3.54Å; Y501-F514 HydrophobicContact CE1-CZ 3.54Å; Y501-F514 HydrophobicContact CG-CD2 4.48Å; Y501-F514 AromaticContact CG-CE2 3.62Å; Y501-F514 HydrophobicContact CG-CE2 3.62Å; Y501-F514 HydrophobicContact CG-CZ 4.19Å; C512-F514 VanDerWaalsContact C-N 3.28Å; C512-F514 PolarHBondContact O-N 3.24Å; F514-Q516 VanDerWaalsContact C-N 3.26Å; F514-Q516 PolarHBondContact O-N 3.33Å; F514-L517 PolarHBondContact O-N 3.3Å; F514-H522 HydrophobicContact CD1-CB 3.78Å; F514-H522 AromaticContact CD1-CG 3.74Å; F514-H522 AromaticContact CD1-ND1 3.89Å; F514-H522 HydrophobicContact CE1-CB 4Å; F514-H522 AromaticContact CE1-CG 3.82Å; F514-H522 AromaticContact CE1-ND1 3.5Å; F514-A593 HydrophobicContact CD1-CB 3.91Å; F514-A593 HydrophobicContact CE1-CB 3.96Å; F514-I598 HydrophobicContact CB-CD1 3.98Å; F514-I598 HydrophobicContact CD1-CD1 4.16Å; F514-I598 WeakPolarHBondContact O-CD1 3.26Å
515	A	94.4	Very high	88.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-83.1	4.5	176.8	0	0	0	0	0	114.3	N201 N208 N337 V511 C512 S513 L517	N201-A515 PolarHBondContact ND2-O 3.26Å; N201-A515 WeakPolarHBondContact OD1-CB 3.24Å; N201-A515 PolarHBondContact OD1-O 2.79Å; N208-A515 HydrophobicContact CB-CB 3.84Å; N208-A515 VanDerWaalsContact ND2-CB 3.29Å; N208-A515 WeakPolarHBondContact ND2-CB 3.36Å; N337-A515 PolarHBondContact ND2-O 3.49Å; V511-A515 HydrophobicContact CG1-CB 4.37Å; C512-A515 HydrophobicContact CB-CB 4.35Å; C512-A515 WeakPolarHBondContact O-CA 3.12Å; C512-A515 WeakPolarHBondContact O-CB 3.19Å; C512-A515 PolarHBondContact O-N 3.17Å; S513-A515 PolarHBondContact O-N 3.26Å; A515-L517 VanDerWaalsContact C-N 3.31Å
516	Q	93.3	Very high	87.8	Confident	48 Å²	48	35.7 Å²	35.7	22%	0.224	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-86	-5	163.4	-60.9	-59.5	-81.8	0	0	112.6	N201 V505 S513 F514 D518	N201-Q516 PolarHBondContact ND2-NE2 3.34Å; V505-Q516 HydrophobicContact CG2-CG 4.46Å; S513-Q516 WeakPolarHBondContact O-CB 3.2Å; S513-Q516 PolarHBondContact O-N 2.96Å; F514-Q516 VanDerWaalsContact C-N 3.26Å; F514-Q516 PolarHBondContact O-N 3.33Å; Q516-D518 PolarHBondContact O-N 2.93Å; Q516-D518 VanDerWaalsContact O-N 3.17Å
517	L	91.7	Very high	87.5	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	26.1	176.5	-52.9	171.4	0	0	0	113.6	L197 F336 F514 A515 I519 L602 F605	L197-L517 HydrophobicContact CD1-CD1 4.46Å; F336-L517 HydrophobicContact CB-CD2 4.05Å; F514-L517 PolarHBondContact O-N 3.3Å; A515-L517 VanDerWaalsContact C-N 3.31Å; L517-I519 PolarHBondContact O-N 3.44Å; L517-L602 HydrophobicContact CB-CB 4.36Å; L517-L602 HydrophobicContact CB-CD1 3.89Å; L517-L602 HydrophobicContact CD1-CD1 4.29Å; L517-F605 HydrophobicContact CD1-CB 3.9Å; L517-F605 HydrophobicContact CD1-CD1 4.02Å; L517-F605 HydrophobicContact CD1-CG 4Å
518	D	88.2	Confident	87.2	Confident	57 Å²	57	33.3 Å²	33.3	31%	0.305	16%	0.159	S	C	.	.			trans	-76.4	101.5	-179.1	178.7	-5.3	0	0	0	111.5	Q516 R520 R521 H522	Q516-D518 PolarHBondContact O-N 2.93Å; Q516-D518 VanDerWaalsContact O-N 3.17Å; D518-R520 VanDerWaalsContact C-N 3.3Å; D518-R520 PolarHBondContact O-N 2.95Å; D518-R520 WeakPolarHBondContact OD1-CA 3.36Å; D518-R520 WeakPolarHBondContact OD1-CB 3.26Å; D518-R520 PolarHBondContact OD1-N 3.5Å; D518-R521 HydrophobicContact CB-CB 4.37Å; D518-R521 PolarHBondContact OD1-N 3.45Å; D518-R521 WeakPolarHBondContact OD2-CB 3.45Å; D518-H522 PolarHBondContact O-N 2.86Å
519	I	86.5	Confident	86.2	Confident	10 Å²	10	35.1 Å²	35.1	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-30	177.8	-67.2	178.6	0	0	0	112.3	L517 G523 Q528 I598 E599 L602 Y621	L517-I519 PolarHBondContact O-N 3.44Å; I519-G523 WeakPolarHBondContact O-CA 3.26Å; I519-G523 PolarHBondContact O-N 3Å; I519-Q528 HydrophobicContact CG2-CG 4.31Å; I519-Q528 PolarHBondContact O-NE2 3.09Å; I519-Q528 VanDerWaalsContact O-NE2 3.08Å; I519-I598 HydrophobicContact CG1-CG2 3.83Å; I519-E599 HydrophobicContact CD1-CG 4.35Å; I519-L602 HydrophobicContact CD1-CD2 3.59Å; I519-L602 HydrophobicContact CG1-CD2 4.35Å; I519-Y621 HydrophobicContact CD1-CD1 3.29Å; I519-Y621 HydrophobicContact CD1-CD2 4.14Å; I519-Y621 HydrophobicContact CD1-CE1 3.9Å; I519-Y621 HydrophobicContact CD1-CG 3.42Å; I519-Y621 VanDerWaalsContact CD1-CG 3.42Å
520	R	85.1	Confident	84.6	Confident	183 Å²	183	37.9 Å²	37.9	69%	0.691	18%	0.181	S	C	*	.	H	α-helix	trans	-75.9	-33.2	-178.3	-79.9	177	62.2	-158.3	-0.5	112.7	D518 D617	D518-R520 VanDerWaalsContact C-N 3.3Å; D518-R520 PolarHBondContact O-N 2.95Å; D518-R520 WeakPolarHBondContact OD1-CA 3.36Å; D518-R520 WeakPolarHBondContact OD1-CB 3.26Å; D518-R520 PolarHBondContact OD1-N 3.5Å; R520-D617 WeakPolarHBondContact CD-OD1 3.32Å; R520-D617 WeakPolarHBondContact CD-OD2 3.26Å; R520-D617 HydrophobicContact CG-CB 4.19Å; R520-D617 IonicContact NH1-OD1 3.13Å; R520-D617 IonicContact NH1-OD2 2.68Å; R520-D617 PolarHBondContact NH1-OD2 2.98Å
521	R	84	Confident	82.3	Confident	118 Å²	118	44.2 Å²	44.2	45%	0.445	22%	0.22	S	C	.	.	H	α-helix	trans	-91.4	-32.4	178.5	-170.6	179.2	170.7	177.1	-6.8	113.8	N500 V503 D518	N500-R521 PolarHBondContact O-NH2 3.22Å; V503-R521 VanDerWaalsContact CG2-NH1 3.28Å; D518-R521 HydrophobicContact CB-CB 4.37Å; D518-R521 PolarHBondContact OD1-N 3.45Å; D518-R521 WeakPolarHBondContact OD2-CB 3.45Å
522	H	86.2	Confident	79.5	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-132.4	-1.4	-169.6	-66.6	-54.6	0	0	0	115.2	Y501 S513 F514 D518 H591 A593 I598	Y501-H522 AromaticContact CD1-CE1 3.74Å; Y501-H522 AromaticContact CE1-CE1 3.84Å; S513-H522 WeakPolarHBondContact CB-NE2 3.26Å; S513-H522 PolarHBondContact OG-CE1 3.37Å; S513-H522 VanDerWaalsContact OG-CE1 3.29Å; S513-H522 PolarHBondContact OG-NE2 2.93Å; F514-H522 HydrophobicContact CD1-CB 3.78Å; F514-H522 AromaticContact CD1-CG 3.74Å; F514-H522 AromaticContact CD1-ND1 3.89Å; F514-H522 HydrophobicContact CE1-CB 4Å; F514-H522 AromaticContact CE1-CG 3.82Å; F514-H522 AromaticContact CE1-ND1 3.5Å; D518-H522 PolarHBondContact O-N 2.86Å; H522-H591 PolarHBondContact ND1-O 3.23Å; H522-A593 WeakPolarHBondContact O-CB 3.4Å; H522-A593 PolarHBondContact O-N 2.7Å; H522-I598 HydrophobicContact CB-CD1 4.17Å; H522-I598 HydrophobicContact CB-CG1 3.96Å
523	G	82.4	Confident	76.4	Confident	6 Å²	6	57.7 Å²	57.7	6%	0.062	29%	0.294	C	S	.	.	S	Bend	trans	-70.7	158.3	174.5	0	0	0	0	0	113.1	I519 S592 E599	I519-G523 WeakPolarHBondContact O-CA 3.26Å; I519-G523 PolarHBondContact O-N 3Å; G523-S592 PolarHBondContact O-OG 3.41Å; G523-E599 WeakPolarHBondContact CA-OE1 3.19Å
524	D	82.8	Confident	73.4	Confident	20 Å²	20	62.7 Å²	62.7	11%	0.107	33%	0.329	C	S	.	.			trans	-81.9	123	-175.9	-172.5	-38.8	0	0	0	110.5	M526 W527 Q528 S592 G595 E599	D524-M526 PolarHBondContact O-N 2.88Å; D524-M526 VanDerWaalsContact OD1-CB 3.31Å; D524-M526 WeakPolarHBondContact OD1-CB 3.37Å; D524-M526 PolarHBondContact OD1-N 3.34Å; D524-W527 HydrophobicContact CB-CB 3.99Å; D524-W527 HydrophobicContact CB-CG 3.93Å; D524-W527 VanDerWaalsContact CG-CD1 3.43Å; D524-W527 WeakPolarHBondContact O-CA 3.35Å; D524-W527 WeakPolarHBondContact O-CB 3.5Å; D524-W527 PolarHBondContact O-N 2.75Å; D524-Q528 PolarHBondContact O-N 2.7Å; D524-Q528 VanDerWaalsContact O-N 3.1Å; D524-S592 WeakPolarHBondContact CA-OG 3.26Å; D524-G595 PolarHBondContact OD2-N 3.12Å; D524-E599 PolarHBondContact N-OE1 3.32Å
525	P	80	Confident	70.2	Confident	70 Å²	70	66.3 Å²	66.3	46%	0.455	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.4	178.8	-24.4	35.2	0	0	0	115.3	R889	P525-R889 PolarHBondContact O-NH1 3.46Å
526	M	74.5	Confident	67.1	Low	69 Å²	69	73.3 Å²	73.3	34%	0.34	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-19	168.5	-60.2	-174.5	53.8	0	0	112.8	D524 F882 R886	D524-M526 PolarHBondContact O-N 2.88Å; D524-M526 VanDerWaalsContact OD1-CB 3.31Å; D524-M526 WeakPolarHBondContact OD1-CB 3.37Å; D524-M526 PolarHBondContact OD1-N 3.34Å; M526-F882 VanDerWaalsContact O-CD1 3.26Å; M526-F882 WeakPolarHBondContact O-CD1 3.44Å; M526-R886 HydrophobicContact CE-CB 3.94Å; M526-R886 HydrophobicContact CE-CG 3.61Å
527	W	78.2	Confident	63.9	Low	17 Å²	17	78.5 Å²	78.5	6%	0.064	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-17.7	-179.2	-69.4	56.5	0	0	0	113	D524 G596 E599 L600 Y621 I878 H879 F882	D524-W527 HydrophobicContact CB-CB 3.99Å; D524-W527 HydrophobicContact CB-CG 3.93Å; D524-W527 VanDerWaalsContact CG-CD1 3.43Å; D524-W527 WeakPolarHBondContact O-CA 3.35Å; D524-W527 WeakPolarHBondContact O-CB 3.5Å; D524-W527 PolarHBondContact O-N 2.75Å; W527-G596 VanDerWaalsContact CE2-CA 3.41Å; W527-E599 HydrophobicContact CB-CG 4.11Å; W527-E599 HydrophobicContact CE3-CB 3.98Å; W527-E599 HydrophobicContact CE3-CG 4.25Å; W527-L600 HydrophobicContact CH2-CD1 3.96Å; W527-L600 HydrophobicContact CH2-CG 4.23Å; W527-L600 HydrophobicContact CZ3-CD1 4.06Å; W527-L600 HydrophobicContact CZ3-CD2 4.14Å; W527-L600 HydrophobicContact CZ3-CG 3.83Å; W527-Y621 WeakPolarHBondContact O-CE2 3.26Å; W527-I878 HydrophobicContact CE3-CG2 3.88Å; W527-I878 HydrophobicContact CH2-CG2 4.15Å; W527-I878 HydrophobicContact CZ3-CG2 3.38Å; W527-H879 AromaticContact CH2-CE1 3.48Å; W527-H879 VanDerWaalsContact CH2-CE1 3.48Å; W527-H879 WeakPolarHBondContact CH2-CE1 3.42Å; W527-H879 AromaticContact CH2-ND1 3.56Å; W527-H879 AromaticContact CH2-NE2 3.93Å; W527-H879 AromaticContact CZ2-CE1 3.67Å; W527-H879 AromaticContact CZ2-ND1 3.59Å; W527-F882 VanDerWaalsContact C-CE1 3.47Å; W527-F882 VanDerWaalsContact CA-CE1 3.43Å; W527-F882 HydrophobicContact CB-CD2 4.16Å; W527-F882 HydrophobicContact CB-CE1 4.28Å; W527-F882 HydrophobicContact CB-CE2 3.84Å; W527-F882 HydrophobicContact CB-CZ 3.96Å; W527-F882 AromaticContact CD2-CD2 3.27Å; W527-F882 HydrophobicContact CD2-CD2 3.27Å; W527-F882 AromaticContact CD2-CE2 3.49Å; W527-F882 HydrophobicContact CD2-CE2 3.49Å; W527-F882 VanDerWaalsContact CD2-CE2 3.49Å; W527-F882 HydrophobicContact CD2-CG 4.07Å; W527-F882 HydrophobicContact CD2-CZ 4.47Å; W527-F882 AromaticContact CE2-CD2 3.68Å; W527-F882 AromaticContact CE3-CD2 3.37Å; W527-F882 HydrophobicContact CE3-CD2 3.37Å; W527-F882 AromaticContact CE3-CE2 3.24Å; W527-F882 HydrophobicContact CE3-CE2 3.24Å; W527-F882 HydrophobicContact CE3-CZ 4.36Å; W527-F882 AromaticContact CG-CD2 3.7Å; W527-F882 HydrophobicContact CG-CD2 3.7Å; W527-F882 AromaticContact CG-CE2 3.83Å; W527-F882 HydrophobicContact CG-CE2 3.83Å; W527-F882 HydrophobicContact CG-CG 4.11Å; W527-F882 HydrophobicContact CG-CZ 4.39Å; W527-F882 HydrophobicContact CH2-CD2 4.12Å; W527-F882 HydrophobicContact CZ2-CD2 4.07Å; W527-F882 AromaticContact CZ3-CD2 3.81Å; W527-F882 HydrophobicContact CZ3-CD2 3.81Å; W527-F882 AromaticContact CZ3-CE2 3.89Å; W527-F882 HydrophobicContact CZ3-CE2 3.89Å; W527-F882 WeakPolarHBondContact O-CE1 3.38Å; W527-F882 WeakPolarHBondContact O-CZ 3.49Å
528	Q	74.3	Confident	60.9	Low	70 Å²	70	87.7 Å²	87.7	33%	0.327	48%	0.477	S	S	.	.	S	Bend	trans	-68.3	143.9	171.9	-65.7	-177.8	6	0	0	111.7	I519 D524	I519-Q528 HydrophobicContact CG2-CG 4.31Å; I519-Q528 PolarHBondContact O-NE2 3.09Å; I519-Q528 VanDerWaalsContact O-NE2 3.08Å; D524-Q528 PolarHBondContact O-N 2.7Å; D524-Q528 VanDerWaalsContact O-N 3.1Å
529	P	65.8	Low	57.9	Low	42 Å²	42	90.5 Å²	90.5	27%	0.273	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-65.6	143.9	173.5	29.6	-36	0	0	0	111.2	T531	P529-T531 PolarHBondContact O-N 2.89Å
530	N	57.3	Low	55.1	Low	74 Å²	74	99.1 Å²	99.1	40%	0.396	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-64.1	118	172.8	-66.8	0.2	0	0	0	109.1	E532 R889	N530-E532 PolarHBondContact O-N 3.4Å; N530-E532 VanDerWaalsContact O-N 3.08Å; N530-R889 PolarHBondContact OD1-NH2 2.99Å
531	T	46.6	Very low	52.4	Low	134 Å²	134	96.5 Å²	96.5	82%	0.822	55%	0.545	S	S	*	.			trans	-80.5	26.8	179.8	40.2	0	0	0	0	114	P529	P529-T531 PolarHBondContact O-N 2.89Å
532	E	36.2	Very low	49.8	Very low	178 Å²	178	98.3 Å²	98.3	83%	0.832	56%	0.564	S	S	*	*	S	Bend	trans	-94.1	9.5	-175.2	-63.2	-177.1	142.9	0	0	113.6	N530	N530-E532 PolarHBondContact O-N 3.4Å; N530-E532 VanDerWaalsContact O-N 3.08Å
533	S	29.5	Very low	47.1	Very low	105 Å²	105	105.6 Å²	105.6	73%	0.734	60%	0.603	S	S	*	*	S	Bend	trans	-139	41.1	-176.8	71.9	0	0	0	0	113.9
534	S	30	Very low	44.7	Very low	107 Å²	107	112 Å²	112	75%	0.748	64%	0.636	S	S	*	*			trans	-152.1	44.3	172.8	-56.1	0	0	0	0	111.1
535	G	28.3	Very low	42.3	Very low	78 Å²	78	118.4 Å²	118.4	80%	0.804	67%	0.67	S	S	*	*	S	Bend	trans	-96.7	-19.6	177.4	0	0	0	0	0	114.4
536	D	27.6	Very low	40	Very low	147 Å²	147	122.3 Å²	122.3	79%	0.786	68%	0.682	S	S	*	*	S	Bend	trans	-114.3	171.7	176.1	-58.3	-67.6	0	0	0	109.7
537	D	27.1	Very low	38	Very low	157 Å²	157	124.8 Å²	124.8	84%	0.84	70%	0.701	S	S	*	*	S	Bend	trans	69	41	176.6	-56.3	-17.9	0	0	0	117.9
538	Q	28.4	Very low	35.7	Very low	199 Å²	199	131 Å²	131	93%	0.93	74%	0.735	S	S	*	*			trans	-137.8	61.8	155.1	-74.1	-157.7	-7	0	0	113.3
539	S	26	Very low	33.6	Very low	115 Å²	115	132.5 Å²	132.5	80%	0.804	76%	0.76	S	S	*	*			trans	-153.6	43	173.4	67.3	0	0	0	0	114.7
540	E	26.6	Very low	32	Very low	192 Å²	192	138 Å²	138	90%	0.897	79%	0.785	S	S	*	*			trans	-146.9	58	-177.6	-145.9	167.9	-111.1	0	0	115.4
541	T	28.4	Very low	30.8	Very low	127 Å²	127	143 Å²	143	78%	0.779	81%	0.806	S	S	*	*			trans	-146.3	108.6	155	51.7	0	0	0	0	110.1
542	D	29	Very low	29.8	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	80%	0.798	S	S	*	*			trans	164.9	88.2	133.9	-84.6	-0.5	0	0	0	111.4
543	N	29.3	Very low	29.4	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	80%	0.797	S	S	*	*			trans	-141.8	135.8	157	-76.7	-40.3	0	0	0	103.9
544	D	32.9	Very low	29.3	Very low	142 Å²	142	138.8 Å²	138.8	76%	0.759	80%	0.8	S	S	*	*			cis	-139.2	155.5	7.7	-60.2	-76.5	0	0	0	110.1
545	D	32.3	Very low	29	Very low	153 Å²	153	144.2 Å²	144.2	82%	0.818	80%	0.804	S	S	*	*				-166.6	163.7	110.2	-142.3	-27	0	0	0	112
546	H	31.6	Very low	28.9	Very low	153 Å²	153	148.2 Å²	148.2	71%	0.708	80%	0.802	S	S	*	*			trans	-84.3	156.6	-174.4	-65.3	-72.6	0	0	0	112.8
547	T	33.5	Very low	28.8	Very low	121 Å²	121	146.5 Å²	146.5	74%	0.742	80%	0.797	S	S	*	*				-167.3	132.1	62.6	35.2	0	0	0	0	115.5
548	N	28.6	Very low	28.9	Very low	146 Å²	146	146.8 Å²	146.8	78%	0.781	80%	0.797	S	S	*	*			trans	39.6	109.5	136.6	-56.9	-23.9	0	0	0	122.3
549	A	30.9	Very low	28.7	Very low	102 Å²	102	148.2 Å²	148.2	84%	0.843	79%	0.794	S	S	*	*			trans	-157.6	83	142.3	0	0	0	0	0	114.7
550	I	30.9	Very low	28.6	Very low	158 Å²	158	148.1 Å²	148.1	81%	0.81	79%	0.793	S	S	*	*			trans	1.8	114.1	150.9	-47.9	163.5	0	0	0	118.1
551	H	33.8	Very low	28.6	Very low	178 Å²	178	143.5 Å²	143.5	82%	0.824	78%	0.782	S	S	*	*				-167.2	167.3	106.3	-131.4	-83.6	0	0	0	112.9
552	S	25.9	Very low	28.7	Very low	95 Å²	95	146.3 Å²	146.3	66%	0.664	78%	0.784	S	S	*	*			trans	-128.8	175.8	-167.1	61.5	0	0	0	0	114.9
553	C	26.4	Very low	28.5	Very low	120 Å²	120	150.2 Å²	150.2	81%	0.811	79%	0.787	S	S	*	*			trans	74.4	145.8	175.3	-79.4	0	0	0	0	117.4
554	S	28	Very low	28.4	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	78%	0.783	S	S	*	*			cis	-160.5	175.1	-20	-128.2	0	0	0	0	113.2
555	R	23.9	Very low	28.4	Very low	221 Å²	221	149.4 Å²	149.4	83%	0.834	79%	0.789	S	S	*	*			trans	-77.1	157.6	-176	-178.9	-172.6	170.5	154.6	-4	113.7
556	E	26.8	Very low	28.3	Very low	162 Å²	162	149.9 Å²	149.9	76%	0.757	79%	0.786	S	S	*	*			trans	104.5	148.2	161.2	-58.4	-160.1	157.9	0	0	117.5
557	T	24.5	Very low	28.3	Very low	112 Å²	112	149.1 Å²	149.1	69%	0.687	79%	0.786	S	S	*	*			cis	177.6	171.7	-20.8	-71.2	0	0	0	0	104.5
558	I	29.3	Very low	28.1	Very low	162 Å²	162	149.3 Å²	149.3	83%	0.831	79%	0.787	S	S	*	*			trans	99.4	144.6	161.4	-52.3	-175.5	0	0	0	117.8
559	R	24.7	Very low	28.1	Very low	229 Å²	229	150.1 Å²	150.1	86%	0.864	79%	0.791	S	S	*	*			trans	-95.7	155.8	-165.8	-61.8	163.3	159.5	155.2	-8.9	115
560	S	23.2	Very low	27.8	Very low	114 Å²	114	149.5 Å²	149.5	80%	0.797	79%	0.786	S	S	*	*			trans	82.5	161.1	136.7	77.2	0	0	0	0	121.9
561	S	27.3	Very low	27.6	Very low	95 Å²	95	151.8 Å²	151.8	66%	0.664	79%	0.785	S	S	*	*			trans	71	133	176.3	174.1	0	0	0	0	114.5
562	K	30.1	Very low	27.3	Very low	186 Å²	186	148.8 Å²	148.8	81%	0.809	78%	0.775	S	S	*	*			cis	-161.6	150.6	4.3	-109.5	167	-161.8	171.4	0	105.6
563	R	23.7	Very low	27.2	Very low	238 Å²	238	148.1 Å²	148.1	90%	0.898	77%	0.771	S	S	*	*				54.9	120.7	56.3	-163.3	-179.6	-172.6	161.7	4.5	115.1
564	A	28.1	Very low	27	Very low	90 Å²	90	150 Å²	150	74%	0.744	77%	0.773	S	S	*	*			cis	-174.1	160.8	-16.7	0	0	0	0	0	109
565	E	32.8	Very low	27.1	Very low	188 Å²	188	153.7 Å²	153.7	88%	0.879	78%	0.777	S	S	*	*			trans	-160.1	151.3	166.5	-96.5	170.3	-159.6	0	0	108.5
566	E	29.6	Very low	27.2	Very low	163 Å²	163	151.7 Å²	151.7	76%	0.762	78%	0.777	S	S	*	*			cis	-154.4	150.5	-34.2	-165.9	163.5	-158	0	0	112.3
567	I	31.5	Very low	27	Very low	137 Å²	137	151.3 Å²	151.3	70%	0.703	78%	0.781	S	S	*	*			trans	-1.9	128.3	162.4	-56.9	163.7	0	0	0	118
568	T	29.4	Very low	26.9	Very low	125 Å²	125	154.4 Å²	154.4	77%	0.767	79%	0.787	S	S	*	*				-156.6	157.3	81.9	41.1	0	0	0	0	111.5
569	L	29	Very low	26.6	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	79%	0.789	S	S	*	*			cis	-150.1	163.8	10.1	-127.3	167.9	0	0	0	108
570	A	24.5	Very low	26.7	Very low	89 Å²	89	149.6 Å²	149.6	74%	0.736	79%	0.785	S	S	*	*			trans	-138.1	147	-173.9	0	0	0	0	0	114.3
571	Y	26.3	Very low	26.8	Very low	206 Å²	206	150.5 Å²	150.5	81%	0.808	79%	0.786	S	S	*	*			trans	-156.1	130.7	154.2	-155.8	-114.4	0	0	0	112.4
572	N	29	Very low	26.6	Very low	114 Å²	114	154 Å²	154	61%	0.61	79%	0.792	S	S	*	*			trans	35.2	150.5	159.7	-66.7	17.9	0	0	0	123
573	S	23.8	Very low	26.3	Very low	82 Å²	82	151.2 Å²	151.2	57%	0.573	79%	0.79	S	S	*	*			cis	167.8	137.9	-40.5	48.9	0	0	0	0	108.9
574	N	22.2	Very low	26.4	Very low	159 Å²	159	144.9 Å²	144.9	85%	0.85	77%	0.774	S	S	*	*			trans	64.8	105.7	161.4	-53.5	-10.4	0	0	0	118.5
575	E	28.6	Very low	26.4	Very low	191 Å²	191	148.6 Å²	148.6	89%	0.893	78%	0.776	S	S	*	*				-148.5	163.5	123.6	-131.7	165.6	-150.2	0	0	110.5
576	Q	27.2	Very low	26.1	Very low	179 Å²	179	141.9 Å²	141.9	84%	0.836	76%	0.757	S	S	*	*			trans	-68.6	140.2	-170.4	-68	130.5	-21.8	0	0	111.5
577	N	21.4	Very low	26.2	Very low	154 Å²	154	138.1 Å²	138.1	82%	0.824	74%	0.742	S	S	*	*				70.3	59.7	52.1	-163.6	83.7	0	0	0	114.6
578	E	24	Very low	26.5	Very low	178 Å²	178	134.9 Å²	134.9	83%	0.832	73%	0.732	S	S	*	*			trans	-154.5	120.9	145.5	-131.3	171.6	-140.5	0	0	110.4
579	N	23.2	Very low	27.3	Very low	163 Å²	163	134.4 Å²	134.4	87%	0.872	72%	0.723	S	S	*	*			trans	-170.5	72.6	167.6	-109	-31.6	0	0	0	109.9	V581	N579-V581 PolarHBondContact O-N 2.75Å
580	T	26	Very low	28.4	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	72%	0.715	S	S	*	*			trans	-75.5	117.9	170.8	-61.2	0	0	0	0	108.6	Q582	T580-Q582 PolarHBondContact O-N 3.02Å
581	V	24.9	Very low	30.2	Very low	134 Å²	134	132.4 Å²	132.4	81%	0.812	69%	0.694	S	S	*	*			trans	-67.3	97.8	179.2	-179.6	0	0	0	0	110	N579	N579-V581 PolarHBondContact O-N 2.75Å
582	Q	24	Very low	32.4	Very low	168 Å²	168	123.4 Å²	123.4	79%	0.785	66%	0.661	S	S	*	*			trans	-88.3	140.2	157.2	-72.6	-168.7	-17	0	0	109.1	T580 N584	T580-Q582 PolarHBondContact O-N 3.02Å; Q582-N584 PolarHBondContact O-N 3.02Å
583	T	24.2	Very low	34.4	Very low	128 Å²	128	118.1 Å²	118.1	79%	0.785	63%	0.633	S	S	*	*			trans	-76.7	122.1	-168.8	47.1	0	0	0	0	112.3	H585	T583-H585 PolarHBondContact O-N 3.27Å
584	N	24.6	Very low	36.6	Very low	105 Å²	105	117.2 Å²	117.2	56%	0.561	63%	0.631	S	S	*	*			trans	-61.2	114.4	-178.1	-75.7	5.1	0	0	0	113.4	Q582 D587	Q582-N584 PolarHBondContact O-N 3.02Å; N584-D587 VanDerWaalsContact ND2-CG 3.34Å; N584-D587 PolarHBondContact ND2-OD2 2.92Å
585	H	28.9	Very low	39.1	Very low	168 Å²	168	111.4 Å²	111.4	78%	0.778	61%	0.609	S	S	*	*	S	Bend	trans	-124.5	0.2	159.6	-91.4	22.2	0	0	0	113	T583	T583-H585 PolarHBondContact O-N 3.27Å
586	G	26.9	Very low	41.6	Very low	47 Å²	47	102.3 Å²	102.3	49%	0.485	57%	0.566	S	S	.	*	S	Bend	trans	-86.8	-48.9	172.1	0	0	0	0	0	113.2	S588 I589	G586-S588 VanDerWaalsContact C-N 3.27Å; G586-S588 PolarHBondContact O-N 3.46Å; G586-S588 VanDerWaalsContact O-N 3.17Å; G586-I589 PolarHBondContact O-N 3.37Å; G586-I589 VanDerWaalsContact O-N 3.1Å
587	D	31.6	Very low	44.6	Very low	84 Å²	84	94 Å²	94	45%	0.449	53%	0.527	S	S	.	.	H	α-helix	trans	-60.5	-30.2	-168.2	-61.7	21.5	0	0	0	114.4	N584 I589 Q590 H591	N584-D587 VanDerWaalsContact ND2-CG 3.34Å; N584-D587 PolarHBondContact ND2-OD2 2.92Å; D587-I589 VanDerWaalsContact C-N 3.27Å; D587-I589 PolarHBondContact O-N 2.97Å; D587-Q590 PolarHBondContact O-N 3.42Å; D587-H591 PolarHBondContact O-CD2 3.12Å
588	S	37.7	Very low	48	Very low	69 Å²	69	86.6 Å²	86.6	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-63.9	-31	178.5	50.6	0	0	0	0	113	G586	G586-S588 VanDerWaalsContact C-N 3.27Å; G586-S588 PolarHBondContact O-N 3.46Å; G586-S588 VanDerWaalsContact O-N 3.17Å
589	I	46.5	Very low	51.1	Low	115 Å²	115	78.2 Å²	78.2	59%	0.59	45%	0.449	S	S	*	.	H	α-helix	trans	-72.4	-36.8	-177.5	-58.1	177.1	0	0	0	110.8	G586 D587 H591	G586-I589 PolarHBondContact O-N 3.37Å; G586-I589 VanDerWaalsContact O-N 3.1Å; D587-I589 VanDerWaalsContact C-N 3.27Å; D587-I589 PolarHBondContact O-N 2.97Å; I589-H591 VanDerWaalsContact C-N 3.32Å; I589-H591 PolarHBondContact O-N 3.44Å
590	Q	50.6	Low	54.3	Low	146 Å²	146	70.5 Å²	70.5	68%	0.682	41%	0.407	S	S	*	.	H	α-helix	trans	-68.3	-29.5	178.8	-84.7	-167.4	-16.3	0	0	113.4	Y501 D587	Y501-Q590 PolarHBondContact OH-O 3.01Å; D587-Q590 PolarHBondContact O-N 3.42Å
591	H	63.6	Low	57.6	Low	65 Å²	65	64.5 Å²	64.5	30%	0.301	37%	0.37	S	S	.	.	H	α-helix	trans	-86.9	-13.5	-174.7	-70.3	-39.2	0	0	0	115	Y501 H522 D587 I589	Y501-H591 AromaticContact CE1-ND1 3.53Å; Y501-H591 AromaticContact CZ-ND1 3.5Å; Y501-H591 WeakPolarHBondContact OH-CA 3.36Å; Y501-H591 PolarHBondContact OH-ND1 2.98Å; H522-H591 PolarHBondContact ND1-O 3.23Å; D587-H591 PolarHBondContact O-CD2 3.12Å; I589-H591 VanDerWaalsContact C-N 3.32Å; I589-H591 PolarHBondContact O-N 3.44Å
592	S	71.1	Confident	60.8	Low	16 Å²	16	58.1 Å²	58.1	11%	0.112	33%	0.332	C	S	.	.	S	Bend	trans	-71.6	147.3	179.8	-177.5	0	0	0	0	112.9	Q216 G523 D524	Q216-S592 PolarHBondContact NE2-O 2.93Å; G523-S592 PolarHBondContact O-OG 3.41Å; D524-S592 WeakPolarHBondContact CA-OG 3.26Å
593	A	70.7	Confident	63.9	Low	3 Å²	3	50.7 Å²	50.7	3%	0.025	30%	0.297	C	S	.	.			trans	-87.6	115.3	167.1	0	0	0	0	0	110.5	F514 H522 G595 K597 I598	F514-A593 HydrophobicContact CD1-CB 3.91Å; F514-A593 HydrophobicContact CE1-CB 3.96Å; H522-A593 WeakPolarHBondContact O-CB 3.4Å; H522-A593 PolarHBondContact O-N 2.7Å; A593-G595 PolarHBondContact O-N 3.21Å; A593-K597 HydrophobicContact CB-CB 4.28Å; A593-I598 HydrophobicContact CB-CD1 4.47Å; A593-I598 HydrophobicContact CB-CG1 3.6Å
594	A	71.5	Confident	67.1	Low	63 Å²	63	45.5 Å²	45.5	52%	0.521	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	132	-174.6	0	0	0	0	0	113.8
595	G	73.9	Confident	70.4	Confident	37 Å²	37	40.6 Å²	40.6	38%	0.381	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	43.2	166	0	0	0	0	0	114.4	D524 A593 K597	D524-G595 PolarHBondContact OD2-N 3.12Å; A593-G595 PolarHBondContact O-N 3.21Å; G595-K597 PolarHBondContact O-N 2.88Å
596	G	82	Confident	73.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	21.4	174.1	0	0	0	0	0	115	W527 I598 E599 L600	W527-G596 VanDerWaalsContact CE2-CA 3.41Å; G596-I598 PolarHBondContact O-N 2.91Å; G596-E599 WeakPolarHBondContact CA-OE2 3.21Å; G596-E599 PolarHBondContact O-N 3.29Å; G596-L600 WeakPolarHBondContact O-CB 3.42Å; G596-L600 WeakPolarHBondContact O-CG 3.41Å; G596-L600 PolarHBondContact O-N 2.88Å
597	K	89.7	Confident	76.3	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-71.8	-29.5	-165.6	-177.7	141.2	-172.7	172.2	0	113.1	N215 Y332 R334 F336 Y440 A593 G595 S601	N215-K597 WeakPolarHBondContact ND2-CD 3.36Å; N215-K597 WeakPolarHBondContact ND2-CE 3.38Å; N215-K597 PolarHBondContact ND2-NZ 3.14Å; N215-K597 PolarHBondContact OD1-NZ 2.98Å; Y332-K597 PolarHBondContact O-NZ 2.87Å; R334-K597 WeakPolarHBondContact O-CE 3.35Å; R334-K597 PolarHBondContact O-NZ 3.03Å; F336-K597 HydrophobicContact CD2-CG 4.31Å; F336-K597 HydrophobicContact CE2-CG 3.93Å; Y440-K597 HydrophobicContact CD1-CD 4.45Å; Y440-K597 HydrophobicContact CE1-CB 3.95Å; Y440-K597 HydrophobicContact CE1-CD 3.55Å; Y440-K597 HydrophobicContact CE1-CG 3.73Å; Y440-K597 VanDerWaalsContact OH-CE 3.28Å; Y440-K597 WeakPolarHBondContact OH-CE 3.33Å; Y440-K597 WeakPolarHBondContact OH-CG 3.46Å; A593-K597 HydrophobicContact CB-CB 4.28Å; G595-K597 PolarHBondContact O-N 2.88Å; K597-S601 VanDerWaalsContact O-CB 3.25Å; K597-S601 WeakPolarHBondContact O-CB 3.33Å; K597-S601 PolarHBondContact O-N 3.08Å; K597-S601 PolarHBondContact O-OG 2.95Å
598	I	92	Very high	79	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-74.4	-43.5	175.7	-71.3	-71.8	0	0	0	110.1	F336 F514 I519 H522 A593 G596 S601 L602	F336-I598 HydrophobicContact CD2-CD1 4.02Å; F336-I598 HydrophobicContact CE2-CD1 4.13Å; F514-I598 HydrophobicContact CB-CD1 3.98Å; F514-I598 HydrophobicContact CD1-CD1 4.16Å; F514-I598 WeakPolarHBondContact O-CD1 3.26Å; I519-I598 HydrophobicContact CG1-CG2 3.83Å; H522-I598 HydrophobicContact CB-CD1 4.17Å; H522-I598 HydrophobicContact CB-CG1 3.96Å; A593-I598 HydrophobicContact CB-CD1 4.47Å; A593-I598 HydrophobicContact CB-CG1 3.6Å; G596-I598 PolarHBondContact O-N 2.91Å; I598-S601 CarbonylContact O-C 3.3Å; I598-S601 PolarHBondContact O-N 3.22Å; I598-L602 WeakPolarHBondContact O-CB 3.5Å; I598-L602 PolarHBondContact O-N 2.68Å
599	E	90.2	Very high	81.6	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-61.6	-50	-178.7	-65.3	75.8	-172.1	0	0	111.5	I519 G523 D524 W527 G596 S601 L602 M603 Y621	I519-E599 HydrophobicContact CD1-CG 4.35Å; G523-E599 WeakPolarHBondContact CA-OE1 3.19Å; D524-E599 PolarHBondContact N-OE1 3.32Å; W527-E599 HydrophobicContact CB-CG 4.11Å; W527-E599 HydrophobicContact CE3-CB 3.98Å; W527-E599 HydrophobicContact CE3-CG 4.25Å; G596-E599 WeakPolarHBondContact CA-OE2 3.21Å; G596-E599 PolarHBondContact O-N 3.29Å; E599-S601 VanDerWaalsContact C-N 3.34Å; E599-L602 PolarHBondContact O-N 3.27Å; E599-M603 PolarHBondContact O-N 2.69Å; E599-Y621 HydrophobicContact CB-CE1 3.82Å; E599-Y621 VanDerWaalsContact CB-OH 3.3Å; E599-Y621 WeakPolarHBondContact CB-OH 3.24Å; E599-Y621 HydrophobicContact CG-CE1 3.9Å; E599-Y621 HydrophobicContact CG-CE2 4.07Å; E599-Y621 VanDerWaalsContact CG-CZ 3.48Å; E599-Y621 VanDerWaalsContact CG-OH 3.29Å; E599-Y621 WeakPolarHBondContact CG-OH 3.28Å
600	L	90.7	Very high	83.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-32.7	176	-66.6	169.7	0	0	0	112.1	Y440 W527 G596 H604 M871 A875	Y440-L600 HydrophobicContact CD1-CD1 4.48Å; Y440-L600 HydrophobicContact CE1-CD1 4.31Å; W527-L600 HydrophobicContact CH2-CD1 3.96Å; W527-L600 HydrophobicContact CH2-CG 4.23Å; W527-L600 HydrophobicContact CZ3-CD1 4.06Å; W527-L600 HydrophobicContact CZ3-CD2 4.14Å; W527-L600 HydrophobicContact CZ3-CG 3.83Å; G596-L600 WeakPolarHBondContact O-CB 3.42Å; G596-L600 WeakPolarHBondContact O-CG 3.41Å; G596-L600 PolarHBondContact O-N 2.88Å; L600-H604 VanDerWaalsContact O-CB 3.27Å; L600-H604 WeakPolarHBondContact O-CB 3.37Å; L600-H604 PolarHBondContact O-N 2.69Å; L600-M871 HydrophobicContact CB-CE 4.33Å; L600-M871 HydrophobicContact CD2-CE 4.1Å; L600-M871 VanDerWaalsContact O-CE 3.29Å; L600-M871 WeakPolarHBondContact O-CE 3.47Å; L600-A875 HydrophobicContact CD2-CB 3.97Å
601	S	93.6	Very high	85.2	Confident	0 Å²	0	25 Å²	25	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.9	-36.8	175.1	-57.5	0	0	0	0	112.1	H335 F336 K597 I598 E599 F605	H335-S601 WeakPolarHBondContact CA-OG 3.1Å; H335-S601 WeakPolarHBondContact CB-OG 3.17Å; H335-S601 PolarHBondContact ND1-OG 3.27Å; F336-S601 PolarHBondContact N-OG 3.2Å; F336-S601 VanDerWaalsContact N-OG 3.14Å; K597-S601 VanDerWaalsContact O-CB 3.25Å; K597-S601 WeakPolarHBondContact O-CB 3.33Å; K597-S601 PolarHBondContact O-N 3.08Å; K597-S601 PolarHBondContact O-OG 2.95Å; I598-S601 CarbonylContact O-C 3.3Å; I598-S601 PolarHBondContact O-N 3.22Å; E599-S601 VanDerWaalsContact C-N 3.34Å; S601-F605 WeakPolarHBondContact O-CB 3.04Å; S601-F605 PolarHBondContact O-N 3.36Å
602	L	92.7	Very high	86.4	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-47.7	173.9	-179.2	73.1	0	0	0	110.8	L517 I519 I598 E599 F605 H606 W612	L517-L602 HydrophobicContact CB-CB 4.36Å; L517-L602 HydrophobicContact CB-CD1 3.89Å; L517-L602 HydrophobicContact CD1-CD1 4.29Å; I519-L602 HydrophobicContact CD1-CD2 3.59Å; I519-L602 HydrophobicContact CG1-CD2 4.35Å; I598-L602 WeakPolarHBondContact O-CB 3.5Å; I598-L602 PolarHBondContact O-N 2.68Å; E599-L602 PolarHBondContact O-N 3.27Å; L602-F605 PolarHBondContact O-N 3.07Å; L602-H606 WeakPolarHBondContact O-CB 3.47Å; L602-H606 PolarHBondContact O-N 2.82Å; L602-W612 HydrophobicContact CD1-CH2 3.88Å; L602-W612 HydrophobicContact CD1-CZ3 3.79Å
603	M	89.8	Confident	87.1	Confident	13 Å²	13	32.8 Å²	32.8	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-47.6	177.8	-170.7	171.7	-170	0	0	111.1	E599 F605 H606 L607 L622 L867 M871 S874 I878	E599-M603 PolarHBondContact O-N 2.69Å; M603-F605 PolarHBondContact O-N 3Å; M603-H606 PolarHBondContact O-N 2.93Å; M603-L607 HydrophobicContact CE-CD1 4.17Å; M603-L607 HydrophobicContact CG-CD1 4.13Å; M603-L607 HydrophobicContact CG-CG 4.44Å; M603-L607 VanDerWaalsContact O-CG 3.32Å; M603-L607 WeakPolarHBondContact O-CG 3.46Å; M603-L607 PolarHBondContact O-N 3.4Å; M603-L622 HydrophobicContact CB-CD2 4.23Å; M603-L622 HydrophobicContact CG-CD2 4.39Å; M603-L867 VanDerWaalsContact CE-O 3.31Å; M603-L867 WeakPolarHBondContact CE-O 3.38Å; M603-M871 HydrophobicContact CB-CE 4.26Å; M603-M871 HydrophobicContact CB-SD 4.04Å; M603-M871 HydrophobicContact CG-SD 3.74Å; M603-M871 HydrophobicContact SD-SD 4.16Å; M603-S874 WeakPolarHBondContact CE-OG 3.23Å; M603-I878 HydrophobicContact SD-CD1 3.53Å; M603-I878 VanDerWaalsContact SD-CD1 3.53Å
604	H	91.8	Very high	87.9	Confident	18 Å²	18	34.1 Å²	34.1	8%	0.083	19%	0.189	C	C	.	.	H	α-helix	trans	-58.6	-48.7	177.4	-179.5	36.8	0	0	0	112.1	H335 E338 L600 H606 L607 T608 M871	H335-H604 AromaticContact CD2-CD2 3.4Å; H335-H604 PolarHBondContact CD2-CD2 3.01Å; H335-H604 AromaticContact CG-CD2 3.68Å; E338-H604 IonicContact OE1-NE2 3.5Å; L600-H604 VanDerWaalsContact O-CB 3.27Å; L600-H604 WeakPolarHBondContact O-CB 3.37Å; L600-H604 PolarHBondContact O-N 2.69Å; H604-H606 VanDerWaalsContact C-N 3.34Å; H604-H606 PolarHBondContact O-N 3.22Å; H604-L607 PolarHBondContact O-N 2.92Å; H604-T608 PolarHBondContact CE1-OG1 2.92Å; H604-T608 PolarHBondContact O-N 2.72Å; H604-T608 PolarHBondContact O-OG1 3.45Å; H604-M871 HydrophobicContact CB-CE 4.02Å; H604-M871 HydrophobicContact CB-CG 4.5Å; H604-M871 HydrophobicContact CB-SD 4.1Å
605	F	93.2	Very high	88.7	Confident	3 Å²	3	33.7 Å²	33.7	1%	0.013	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-39.5	-178.7	-171.4	-100.6	0	0	0	112.4	E196 L197 Y200 N337 L517 S601 L602 M603 N609 W612	E196-F605 HydrophobicContact CB-CZ 4.32Å; L197-F605 HydrophobicContact CB-CE1 4.08Å; L197-F605 HydrophobicContact CB-CZ 4.14Å; L197-F605 HydrophobicContact CD1-CE1 4.13Å; L197-F605 HydrophobicContact CD1-CZ 4.11Å; Y200-F605 HydrophobicContact CD1-CD2 4.4Å; Y200-F605 AromaticContact CD1-CE2 3.73Å; Y200-F605 HydrophobicContact CD1-CE2 3.73Å; Y200-F605 AromaticContact CD2-CE2 3.75Å; Y200-F605 HydrophobicContact CD2-CE2 3.75Å; Y200-F605 HydrophobicContact CD2-CZ 4.08Å; Y200-F605 HydrophobicContact CE1-CD2 4.38Å; Y200-F605 AromaticContact CE1-CE2 3.86Å; Y200-F605 HydrophobicContact CE1-CE2 3.86Å; Y200-F605 AromaticContact CE2-CE2 3.86Å; Y200-F605 HydrophobicContact CE2-CE2 3.86Å; Y200-F605 HydrophobicContact CE2-CZ 4.27Å; Y200-F605 AromaticContact CG-CE2 3.64Å; Y200-F605 HydrophobicContact CG-CE2 3.64Å; Y200-F605 HydrophobicContact CG-CZ 4.29Å; Y200-F605 AromaticContact CZ-CE2 3.91Å; N337-F605 HydrophobicContact CB-CD2 3.77Å; N337-F605 HydrophobicContact CB-CE2 3.95Å; L517-F605 HydrophobicContact CD1-CB 3.9Å; L517-F605 HydrophobicContact CD1-CD1 4.02Å; L517-F605 HydrophobicContact CD1-CG 4Å; S601-F605 WeakPolarHBondContact O-CB 3.04Å; S601-F605 PolarHBondContact O-N 3.36Å; L602-F605 PolarHBondContact O-N 3.07Å; M603-F605 PolarHBondContact O-N 3Å; F605-N609 WeakPolarHBondContact CE2-ND2 3.27Å; F605-N609 WeakPolarHBondContact O-CB 3.46Å; F605-N609 PolarHBondContact O-N 2.93Å; F605-N609 PolarHBondContact O-ND2 3.21Å; F605-N609 VanDerWaalsContact O-ND2 3.12Å; F605-W612 AromaticContact CD1-CD2 3.98Å; F605-W612 HydrophobicContact CD1-CD2 3.98Å; F605-W612 AromaticContact CD1-CE3 3.58Å; F605-W612 HydrophobicContact CD1-CE3 3.58Å; F605-W612 HydrophobicContact CD1-CH2 4.39Å; F605-W612 AromaticContact CD1-CZ3 3.81Å; F605-W612 HydrophobicContact CD1-CZ3 3.81Å; F605-W612 HydrophobicContact CE1-CB 4.44Å; F605-W612 AromaticContact CE1-CD2 3.62Å; F605-W612 HydrophobicContact CE1-CD2 3.62Å; F605-W612 AromaticContact CE1-CE3 3.74Å; F605-W612 HydrophobicContact CE1-CE3 3.74Å; F605-W612 AromaticContact CE1-CG 3.91Å; F605-W612 HydrophobicContact CE1-CG 3.91Å; F605-W612 HydrophobicContact CE1-CZ3 4.26Å
606	H	90.6	Very high	89.4	Confident	59 Å²	59	36.7 Å²	36.7	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-63.9	-45.2	175	-179.4	23.4	0	0	0	112.5	L602 M603 H604 N609 P610 L614	L602-H606 WeakPolarHBondContact O-CB 3.47Å; L602-H606 PolarHBondContact O-N 2.82Å; M603-H606 PolarHBondContact O-N 2.93Å; H604-H606 VanDerWaalsContact C-N 3.34Å; H604-H606 PolarHBondContact O-N 3.22Å; H606-N609 CarbonylContact O-C 3.17Å; H606-N609 PolarHBondContact O-N 2.88Å; H606-P610 WeakPolarHBondContact O-CA 3.49Å; H606-L614 HydrophobicContact CB-CD1 3.92Å; H606-L614 HydrophobicContact CB-CD2 4.37Å; H606-L614 VanDerWaalsContact CG-CD1 3.46Å; H606-L614 WeakPolarHBondContact ND1-CD1 3.12Å
607	L	88.4	Confident	89.6	Confident	49 Å²	49	39.7 Å²	39.7	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-66.6	-37.1	179.5	-67.6	-179.8	0	0	0	112	M603 H604 T868 M871	M603-L607 HydrophobicContact CE-CD1 4.17Å; M603-L607 HydrophobicContact CG-CD1 4.13Å; M603-L607 HydrophobicContact CG-CG 4.44Å; M603-L607 VanDerWaalsContact O-CG 3.32Å; M603-L607 WeakPolarHBondContact O-CG 3.46Å; M603-L607 PolarHBondContact O-N 3.4Å; H604-L607 PolarHBondContact O-N 2.92Å; L607-T868 WeakPolarHBondContact CD2-O 3.28Å; L607-M871 HydrophobicContact CD1-CB 3.84Å; L607-M871 HydrophobicContact CD1-CG 4.42Å; L607-M871 HydrophobicContact CD1-SD 3.93Å
608	T	89.9	Confident	89.4	Confident	20 Å²	20	39.8 Å²	39.8	12%	0.123	21%	0.212	C	C	.	.	H	α-helix	trans	-73.5	-30.3	175.2	-61.4	0	0	0	0	112.6	E342 H604 P610	E342-T608 HydrophobicContact CG-CG2 4.44Å; H604-T608 PolarHBondContact CE1-OG1 2.92Å; H604-T608 PolarHBondContact O-N 2.72Å; H604-T608 PolarHBondContact O-OG1 3.45Å; T608-P610 WeakPolarHBondContact O-CD 3.36Å
609	N	91	Very high	89.2	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.027	23%	0.231	C	C	.	.			trans	-125.6	71.8	-177.3	-57.1	-91	0	0	0	111.1	Q175 E196 Y200 F605 H606 S611 W612	Q175-N609 PolarHBondContact NE2-OD1 2.93Å; E196-N609 HydrophobicContact CB-CB 4.46Å; E196-N609 HydrophobicContact CG-CB 4.42Å; Y200-N609 WeakPolarHBondContact CE2-OD1 3.44Å; Y200-N609 PolarHBondContact OH-ND2 3.19Å; Y200-N609 PolarHBondContact OH-OD1 2.84Å; F605-N609 WeakPolarHBondContact CE2-ND2 3.27Å; F605-N609 WeakPolarHBondContact O-CB 3.46Å; F605-N609 PolarHBondContact O-N 2.93Å; F605-N609 PolarHBondContact O-ND2 3.21Å; F605-N609 VanDerWaalsContact O-ND2 3.12Å; H606-N609 CarbonylContact O-C 3.17Å; H606-N609 PolarHBondContact O-N 2.88Å; N609-S611 PolarHBondContact O-N 2.99Å; N609-S611 VanDerWaalsContact O-N 3.17Å; N609-W612 HydrophobicContact CB-CB 4.15Å; N609-W612 WeakPolarHBondContact O-CB 3.14Å; N609-W612 PolarHBondContact O-N 2.73Å
610	P	87	Confident	89.1	Confident	102 Å²	102	46 Å²	46	66%	0.662	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.5	-173.5	27.1	-36	0	0	0	114.6	H606 T608	H606-P610 WeakPolarHBondContact O-CA 3.49Å; T608-P610 WeakPolarHBondContact O-CD 3.36Å
611	S	85.3	Confident	88.9	Confident	66 Å²	66	46.4 Å²	46.4	46%	0.462	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-19.1	172.6	51	0	0	0	0	113.7	E196 N609	E196-S611 VanDerWaalsContact OE1-CB 3.25Å; E196-S611 WeakPolarHBondContact OE1-CB 3.42Å; E196-S611 PolarHBondContact OE1-OG 2.84Å; N609-S611 PolarHBondContact O-N 2.99Å; N609-S611 VanDerWaalsContact O-N 3.17Å
612	W	88.8	Confident	88.5	Confident	16 Å²	16	47.8 Å²	47.8	6%	0.061	26%	0.261	C	S	.	.	S	Bend	trans	-69.9	132.4	-176.9	178.3	64	0	0	0	111.5	E196 L197 L602 F605 N609 L614 P615	E196-W612 HydrophobicContact CB-CB 4.18Å; E196-W612 HydrophobicContact CB-CG 4.4Å; E196-W612 HydrophobicContact CG-CB 4.22Å; E196-W612 PolarHBondContact OE1-N 3.22Å; E196-W612 WeakPolarHBondContact OE2-CA 3.39Å; L197-W612 HydrophobicContact CB-CZ2 4.33Å; L197-W612 HydrophobicContact CD2-CH2 4.44Å; L197-W612 HydrophobicContact CD2-CZ2 3.59Å; L197-W612 HydrophobicContact CG-CZ2 4.49Å; L602-W612 HydrophobicContact CD1-CH2 3.88Å; L602-W612 HydrophobicContact CD1-CZ3 3.79Å; F605-W612 AromaticContact CD1-CD2 3.98Å; F605-W612 HydrophobicContact CD1-CD2 3.98Å; F605-W612 AromaticContact CD1-CE3 3.58Å; F605-W612 HydrophobicContact CD1-CE3 3.58Å; F605-W612 HydrophobicContact CD1-CH2 4.39Å; F605-W612 AromaticContact CD1-CZ3 3.81Å; F605-W612 HydrophobicContact CD1-CZ3 3.81Å; F605-W612 HydrophobicContact CE1-CB 4.44Å; F605-W612 AromaticContact CE1-CD2 3.62Å; F605-W612 HydrophobicContact CE1-CD2 3.62Å; F605-W612 AromaticContact CE1-CE3 3.74Å; F605-W612 HydrophobicContact CE1-CE3 3.74Å; F605-W612 AromaticContact CE1-CG 3.91Å; F605-W612 HydrophobicContact CE1-CG 3.91Å; F605-W612 HydrophobicContact CE1-CZ3 4.26Å; N609-W612 HydrophobicContact CB-CB 4.15Å; N609-W612 WeakPolarHBondContact O-CB 3.14Å; N609-W612 PolarHBondContact O-N 2.73Å; W612-L614 HydrophobicContact CD2-CD1 4.42Å; W612-L614 HydrophobicContact CE3-CD1 3.46Å; W612-L614 VanDerWaalsContact CE3-CD1 3.46Å; W612-L614 HydrophobicContact CE3-CG 4.2Å; W612-L614 HydrophobicContact CZ3-CD1 3.62Å; W612-L614 HydrophobicContact CZ3-CG 3.85Å; W612-L614 PolarHBondContact O-N 3.41Å; W612-P615 VanDerWaalsContact CH2-CD 3.43Å; W612-P615 HydrophobicContact CH2-CG 4.19Å; W612-P615 HydrophobicContact CZ2-CG 4.25Å
613	R	87.5	Confident	88.2	Confident	228 Å²	228	53.8 Å²	53.8	86%	0.86	29%	0.288	S	S	*	.			trans	-80.7	110	-178.1	-64.3	-176.5	-178.5	-171.4	0.4	110.7
614	L	87.2	Confident	88	Confident	31 Å²	31	54.6 Å²	54.6	16%	0.162	30%	0.295	C	S	.	.			trans	-64.9	136.6	179.6	-93.5	65.2	0	0	0	112.3	H606 W612 L619 L622	H606-L614 HydrophobicContact CB-CD1 3.92Å; H606-L614 HydrophobicContact CB-CD2 4.37Å; H606-L614 VanDerWaalsContact CG-CD1 3.46Å; H606-L614 WeakPolarHBondContact ND1-CD1 3.12Å; W612-L614 HydrophobicContact CD2-CD1 4.42Å; W612-L614 HydrophobicContact CE3-CD1 3.46Å; W612-L614 VanDerWaalsContact CE3-CD1 3.46Å; W612-L614 HydrophobicContact CE3-CG 4.2Å; W612-L614 HydrophobicContact CZ3-CD1 3.62Å; W612-L614 HydrophobicContact CZ3-CG 3.85Å; W612-L614 PolarHBondContact O-N 3.41Å; L614-L619 HydrophobicContact CB-CB 4.23Å; L614-L622 HydrophobicContact CD2-CD1 3.64Å
615	P	88.7	Confident	87.6	Confident	55 Å²	55	54.4 Å²	54.4	36%	0.357	29%	0.294	S	S	.	.			trans	-55.2	148.6	166	-25.7	34.7	0	0	0	111.8	W612 D617 G618 L619	W612-P615 VanDerWaalsContact CH2-CD 3.43Å; W612-P615 HydrophobicContact CH2-CG 4.19Å; W612-P615 HydrophobicContact CZ2-CG 4.25Å; P615-D617 VanDerWaalsContact C-N 3.29Å; P615-D617 PolarHBondContact O-N 3.31Å; P615-G618 PolarHBondContact O-N 3.19Å; P615-G618 VanDerWaalsContact O-N 3.12Å; P615-L619 WeakPolarHBondContact O-CB 3.31Å; P615-L619 PolarHBondContact O-N 3Å
616	P	87.2	Confident	87	Confident	99 Å²	99	58.7 Å²	58.7	64%	0.643	31%	0.31	S	S	*	.	H	α-helix	trans	-59.2	-39.3	-173.8	23.5	-34.1	0	0	0	112.7	L619 A620	P616-L619 PolarHBondContact O-N 2.78Å; P616-A620 WeakPolarHBondContact O-CB 3.34Å; P616-A620 PolarHBondContact O-N 2.98Å
617	D	86.9	Confident	86.7	Confident	64 Å²	64	60.6 Å²	60.6	34%	0.342	32%	0.322	S	S	.	.	H	α-helix	trans	-67	-39.8	179.2	-58.7	-56.4	0	0	0	112.1	R520 P615 A620 Y621	R520-D617 WeakPolarHBondContact CD-OD1 3.32Å; R520-D617 WeakPolarHBondContact CD-OD2 3.26Å; R520-D617 HydrophobicContact CG-CB 4.19Å; R520-D617 IonicContact NH1-OD1 3.13Å; R520-D617 IonicContact NH1-OD2 2.68Å; R520-D617 PolarHBondContact NH1-OD2 2.98Å; P615-D617 VanDerWaalsContact C-N 3.29Å; P615-D617 PolarHBondContact O-N 3.31Å; D617-A620 PolarHBondContact O-N 3.3Å; D617-Y621 WeakPolarHBondContact O-CB 3.24Å; D617-Y621 PolarHBondContact O-N 2.84Å
618	G	86.1	Confident	86.5	Confident	5 Å²	5	60.8 Å²	60.8	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-68.8	-37.5	174.8	0	0	0	0	0	112.9	P615 Y621 L622	P615-G618 PolarHBondContact O-N 3.19Å; P615-G618 VanDerWaalsContact O-N 3.12Å; G618-Y621 PolarHBondContact O-N 2.87Å; G618-L622 PolarHBondContact O-N 2.69Å
619	L	87.6	Confident	86.1	Confident	75 Å²	75	59.9 Å²	59.9	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-67.5	-39.3	173.9	176.8	147.6	0	0	0	111.8	L614 P615 P616 K623	L614-L619 HydrophobicContact CB-CB 4.23Å; P615-L619 WeakPolarHBondContact O-CB 3.31Å; P615-L619 PolarHBondContact O-N 3Å; P616-L619 PolarHBondContact O-N 2.78Å; L619-K623 HydrophobicContact CD2-CD 3.88Å; L619-K623 WeakPolarHBondContact O-CB 3.44Å; L619-K623 VanDerWaalsContact O-CG 3.31Å; L619-K623 WeakPolarHBondContact O-CG 3.2Å; L619-K623 PolarHBondContact O-N 3.41Å
620	A	86.6	Confident	85.6	Confident	57 Å²	57	62.5 Å²	62.5	47%	0.471	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-44.2	173.2	0	0	0	0	0	111.4	P616 D617 K623 S624	P616-A620 WeakPolarHBondContact O-CB 3.34Å; P616-A620 PolarHBondContact O-N 2.98Å; D617-A620 PolarHBondContact O-N 3.3Å; A620-K623 PolarHBondContact O-N 3.47Å; A620-S624 PolarHBondContact O-N 3.25Å
621	Y	87.4	Confident	85.5	Confident	9 Å²	9	62.6 Å²	62.6	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-58	-54.3	175	174.3	-104.2	0	0	0	112.5	I519 W527 E599 D617 G618 K623 S624 I625	I519-Y621 HydrophobicContact CD1-CD1 3.29Å; I519-Y621 HydrophobicContact CD1-CD2 4.14Å; I519-Y621 HydrophobicContact CD1-CE1 3.9Å; I519-Y621 HydrophobicContact CD1-CG 3.42Å; I519-Y621 VanDerWaalsContact CD1-CG 3.42Å; W527-Y621 WeakPolarHBondContact O-CE2 3.26Å; E599-Y621 HydrophobicContact CB-CE1 3.82Å; E599-Y621 VanDerWaalsContact CB-OH 3.3Å; E599-Y621 WeakPolarHBondContact CB-OH 3.24Å; E599-Y621 HydrophobicContact CG-CE1 3.9Å; E599-Y621 HydrophobicContact CG-CE2 4.07Å; E599-Y621 VanDerWaalsContact CG-CZ 3.48Å; E599-Y621 VanDerWaalsContact CG-OH 3.29Å; E599-Y621 WeakPolarHBondContact CG-OH 3.28Å; D617-Y621 WeakPolarHBondContact O-CB 3.24Å; D617-Y621 PolarHBondContact O-N 2.84Å; G618-Y621 PolarHBondContact O-N 2.87Å; Y621-K623 VanDerWaalsContact C-N 3.32Å; Y621-K623 PolarHBondContact O-N 3.32Å; Y621-S624 WeakPolarHBondContact O-CB 3.48Å; Y621-S624 PolarHBondContact O-N 2.84Å; Y621-S624 PolarHBondContact O-OG 3.44Å; Y621-I625 HydrophobicContact CE1-CD1 3.74Å; Y621-I625 HydrophobicContact CE2-CD1 3.79Å; Y621-I625 HydrophobicContact CE2-CG1 4.43Å; Y621-I625 PolarHBondContact O-N 2.86Å; Y621-I625 VanDerWaalsContact O-N 3.13Å; Y621-I625 WeakPolarHBondContact OH-CD1 3.24Å
622	L	86.1	Confident	85.3	Confident	29 Å²	29	60.1 Å²	60.1	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-34.4	-179.4	-66.7	-176.1	0	0	0	112.6	M603 L614 G618 I625 R626	M603-L622 HydrophobicContact CB-CD2 4.23Å; M603-L622 HydrophobicContact CG-CD2 4.39Å; L614-L622 HydrophobicContact CD2-CD1 3.64Å; G618-L622 PolarHBondContact O-N 2.69Å; L622-I625 PolarHBondContact O-N 3.41Å; L622-R626 WeakPolarHBondContact O-CB 3.47Å; L622-R626 PolarHBondContact O-N 3.31Å
623	K	85.1	Confident	84.8	Confident	126 Å²	126	60.4 Å²	60.4	55%	0.548	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-43.8	169.6	-79.5	-179	176.9	-176.6	0	112	L619 A620 Y621 I625 R626 N627	L619-K623 HydrophobicContact CD2-CD 3.88Å; L619-K623 WeakPolarHBondContact O-CB 3.44Å; L619-K623 VanDerWaalsContact O-CG 3.31Å; L619-K623 WeakPolarHBondContact O-CG 3.2Å; L619-K623 PolarHBondContact O-N 3.41Å; A620-K623 PolarHBondContact O-N 3.47Å; Y621-K623 VanDerWaalsContact C-N 3.32Å; Y621-K623 PolarHBondContact O-N 3.32Å; K623-I625 VanDerWaalsContact C-N 3.31Å; K623-I625 PolarHBondContact O-N 2.85Å; K623-R626 PolarHBondContact O-N 3.35Å; K623-N627 WeakPolarHBondContact O-CB 3.31Å; K623-N627 PolarHBondContact O-N 2.93Å; K623-N627 PolarHBondContact O-OD1 3.47Å
624	S	84.9	Confident	84.3	Confident	31 Å²	31	55.4 Å²	55.4	22%	0.217	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-39.2	179.2	79.7	0	0	0	0	112.5	A620 Y621 Q628	A620-S624 PolarHBondContact O-N 3.25Å; Y621-S624 WeakPolarHBondContact O-CB 3.48Å; Y621-S624 PolarHBondContact O-N 2.84Å; Y621-S624 PolarHBondContact O-OG 3.44Å; S624-Q628 WeakPolarHBondContact O-CB 3.43Å; S624-Q628 PolarHBondContact O-N 3.29Å
625	I	84.3	Confident	83.9	Confident	13 Å²	13	60.2 Å²	60.2	7%	0.067	32%	0.317	C	S	.	.	H	α-helix	trans	-71.1	-42.3	176.2	-73.2	-175	0	0	0	111.7	Y621 L622 K623 N627 Q628 A629 Y877 I878 F882	Y621-I625 HydrophobicContact CE1-CD1 3.74Å; Y621-I625 HydrophobicContact CE2-CD1 3.79Å; Y621-I625 HydrophobicContact CE2-CG1 4.43Å; Y621-I625 PolarHBondContact O-N 2.86Å; Y621-I625 VanDerWaalsContact O-N 3.13Å; Y621-I625 WeakPolarHBondContact OH-CD1 3.24Å; L622-I625 PolarHBondContact O-N 3.41Å; K623-I625 VanDerWaalsContact C-N 3.31Å; K623-I625 PolarHBondContact O-N 2.85Å; I625-N627 VanDerWaalsContact C-N 3.32Å; I625-N627 PolarHBondContact O-N 3.29Å; I625-Q628 PolarHBondContact O-N 3.43Å; I625-A629 WeakPolarHBondContact O-CB 3.47Å; I625-A629 PolarHBondContact O-N 3.26Å; I625-Y877 HydrophobicContact CG2-CE1 4.31Å; I625-I878 HydrophobicContact CD1-CD1 4.29Å; I625-I878 HydrophobicContact CD1-CG1 4.22Å; I625-I878 HydrophobicContact CD1-CG2 4.3Å; I625-I878 HydrophobicContact CG2-CD1 4.3Å; I625-I878 HydrophobicContact CG2-CG1 4.05Å; I625-F882 HydrophobicContact CD1-CE2 4.43Å; I625-F882 HydrophobicContact CD1-CZ 4.12Å
626	R	81.7	Confident	82.9	Confident	93 Å²	93	59.6 Å²	59.6	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-43.5	176.3	-161.9	178.1	-159.8	159	4.4	111.3	L622 K623 A629 L630 T864 T868	L622-R626 WeakPolarHBondContact O-CB 3.47Å; L622-R626 PolarHBondContact O-N 3.31Å; K623-R626 PolarHBondContact O-N 3.35Å; R626-A629 PolarHBondContact O-N 2.94Å; R626-L630 VanDerWaalsContact O-CG 3.31Å; R626-L630 WeakPolarHBondContact O-CG 3.29Å; R626-L630 PolarHBondContact O-N 2.96Å; R626-T864 PolarHBondContact NE-O 3.31Å; R626-T864 PolarHBondContact NH2-O 2.73Å; R626-T868 PolarHBondContact NH2-OG1 3.34Å; R626-T868 VanDerWaalsContact NH2-OG1 3.08Å
627	N	83.1	Confident	81.8	Confident	99 Å²	99	60.4 Å²	60.4	53%	0.529	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-45.6	177.4	-68.9	2.9	0	0	0	111.6	K623 I625 A629 L630 L631	K623-N627 WeakPolarHBondContact O-CB 3.31Å; K623-N627 PolarHBondContact O-N 2.93Å; K623-N627 PolarHBondContact O-OD1 3.47Å; I625-N627 VanDerWaalsContact C-N 3.32Å; I625-N627 PolarHBondContact O-N 3.29Å; N627-A629 VanDerWaalsContact C-N 3.34Å; N627-A629 PolarHBondContact O-N 3.21Å; N627-L630 PolarHBondContact O-N 3.02Å; N627-L631 WeakPolarHBondContact O-CG 3.45Å; N627-L631 PolarHBondContact O-N 2.83Å
628	Q	84.4	Confident	80.8	Confident	54 Å²	54	62.4 Å²	62.4	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-44.3	174.3	179.4	74.2	73.6	0	0	111.8	S624 I625 L630 L631 D632 Y877 L881	S624-Q628 WeakPolarHBondContact O-CB 3.43Å; S624-Q628 PolarHBondContact O-N 3.29Å; I625-Q628 PolarHBondContact O-N 3.43Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.47Å; Q628-L631 PolarHBondContact O-N 3.43Å; Q628-D632 PolarHBondContact NE2-OD1 2.94Å; Q628-D632 PolarHBondContact O-N 2.82Å; Q628-Y877 WeakPolarHBondContact CG-OH 3.3Å; Q628-L881 HydrophobicContact CB-CD2 4.45Å; Q628-L881 HydrophobicContact CG-CD1 3.58Å; Q628-L881 HydrophobicContact CG-CD2 3.8Å; Q628-L881 HydrophobicContact CG-CG 4.35Å
629	A	81.7	Confident	79.4	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-66.3	-35.2	-179.4	0	0	0	0	0	112.8	I625 R626 N627 L633 L867 Y877	I625-A629 WeakPolarHBondContact O-CB 3.47Å; I625-A629 PolarHBondContact O-N 3.26Å; R626-A629 PolarHBondContact O-N 2.94Å; N627-A629 VanDerWaalsContact C-N 3.34Å; N627-A629 PolarHBondContact O-N 3.21Å; A629-L633 WeakPolarHBondContact O-CB 3.34Å; A629-L633 WeakPolarHBondContact O-CD1 3.45Å; A629-L633 WeakPolarHBondContact O-CG 3.44Å; A629-L633 PolarHBondContact O-N 3.49Å; A629-L867 HydrophobicContact CB-CD1 3.58Å; A629-L867 HydrophobicContact CB-CD2 4.2Å; A629-L867 HydrophobicContact CB-CG 4.45Å; A629-Y877 WeakPolarHBondContact CA-OH 3.46Å; A629-Y877 HydrophobicContact CB-CD1 4.3Å; A629-Y877 HydrophobicContact CB-CE1 3.63Å; A629-Y877 HydrophobicContact CB-CE2 4.31Å; A629-Y877 PolarHBondContact N-OH 3.39Å
630	L	81.1	Confident	77.8	Confident	59 Å²	59	69.2 Å²	69.2	31%	0.309	34%	0.343	S	S	.	.	H	α-helix	trans	-66.4	-39.3	172.4	-69.9	168.7	0	0	0	112	R626 N627 Q628 L633 Q634	R626-L630 VanDerWaalsContact O-CG 3.31Å; R626-L630 WeakPolarHBondContact O-CG 3.29Å; R626-L630 PolarHBondContact O-N 2.96Å; N627-L630 PolarHBondContact O-N 3.02Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.47Å; L630-L633 PolarHBondContact O-N 3.25Å; L630-Q634 WeakPolarHBondContact O-CG 3.14Å; L630-Q634 PolarHBondContact O-N 3.16Å
631	L	84.7	Confident	76.1	Confident	104 Å²	104	73 Å²	73	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-44.8	175.2	-68.9	168.4	0	0	0	112.1	N627 Q628 L633 Q634 Q635	N627-L631 WeakPolarHBondContact O-CG 3.45Å; N627-L631 PolarHBondContact O-N 2.83Å; Q628-L631 PolarHBondContact O-N 3.43Å; L631-L633 VanDerWaalsContact C-N 3.33Å; L631-L633 PolarHBondContact O-N 3.26Å; L631-Q634 PolarHBondContact O-N 3.05Å; L631-Q635 WeakPolarHBondContact O-CB 3.44Å; L631-Q635 PolarHBondContact O-N 3.38Å
632	D	80.6	Confident	74.5	Confident	15 Å²	15	79.1 Å²	79.1	8%	0.08	38%	0.378	C	S	.	.	H	α-helix	trans	-57.1	-44.6	173.6	-89.3	61.1	0	0	0	111.5	Q628 Q635 Q636 R884	Q628-D632 PolarHBondContact NE2-OD1 2.94Å; Q628-D632 PolarHBondContact O-N 2.82Å; D632-Q635 PolarHBondContact O-N 3.18Å; D632-Q636 WeakPolarHBondContact O-CG 3.48Å; D632-Q636 PolarHBondContact O-N 3.43Å; D632-Q636 VanDerWaalsContact O-N 3.09Å; D632-R884 IonicContact OD2-CZ 2.79Å; D632-R884 IonicContact OD2-NH1 3.26Å; D632-R884 PolarHBondContact OD2-NH1 3.48Å
633	L	77.1	Confident	72.9	Confident	22 Å²	22	84.8 Å²	84.8	12%	0.115	40%	0.404	C	S	.	.	H	α-helix	trans	-63.3	-45.1	176.6	-82.4	163.4	0	0	0	112.5	A629 L630 L631 Q635 Q636 Q637 F664 V863 L867	A629-L633 WeakPolarHBondContact O-CB 3.34Å; A629-L633 WeakPolarHBondContact O-CD1 3.45Å; A629-L633 WeakPolarHBondContact O-CG 3.44Å; A629-L633 PolarHBondContact O-N 3.49Å; L630-L633 PolarHBondContact O-N 3.25Å; L631-L633 VanDerWaalsContact C-N 3.33Å; L631-L633 PolarHBondContact O-N 3.26Å; L633-Q635 VanDerWaalsContact C-N 3.33Å; L633-Q635 PolarHBondContact O-N 3.25Å; L633-Q636 PolarHBondContact O-N 2.63Å; L633-Q637 PolarHBondContact O-N 2.97Å; L633-Q637 VanDerWaalsContact O-N 3.11Å; L633-F664 HydrophobicContact CD1-CZ 4.42Å; L633-F664 HydrophobicContact CD2-CE1 3.62Å; L633-F664 HydrophobicContact CD2-CZ 3.86Å; L633-F664 HydrophobicContact CG-CE1 3.91Å; L633-F664 HydrophobicContact CG-CZ 4Å; L633-V863 HydrophobicContact CD1-CG1 3.7Å; L633-L867 HydrophobicContact CD1-CD1 4.03Å
634	Q	77.9	Confident	71	Confident	122 Å²	122	83.7 Å²	83.7	57%	0.57	40%	0.404	S	S	*	.	H	α-helix	trans	-62.9	-39.8	176.7	-75.9	176.9	-26.7	0	0	111.9	L630 L631 Q636 Q637 H638	L630-Q634 WeakPolarHBondContact O-CG 3.14Å; L630-Q634 PolarHBondContact O-N 3.16Å; L631-Q634 PolarHBondContact O-N 3.05Å; Q634-Q636 VanDerWaalsContact C-N 3.33Å; Q634-Q636 PolarHBondContact O-N 2.71Å; Q634-Q637 PolarHBondContact O-N 3.41Å; Q634-H638 PolarHBondContact O-N 3.07Å; Q634-H638 VanDerWaalsContact O-N 3.13Å
635	Q	78.5	Confident	69.1	Low	132 Å²	132	86.6 Å²	86.6	62%	0.617	42%	0.424	S	S	*	.	H	α-helix	trans	-63.9	-36.9	176	-176.2	173.1	82.8	0	0	112.2	L631 D632 L633 L639	L631-Q635 WeakPolarHBondContact O-CB 3.44Å; L631-Q635 PolarHBondContact O-N 3.38Å; D632-Q635 PolarHBondContact O-N 3.18Å; L633-Q635 VanDerWaalsContact C-N 3.33Å; L633-Q635 PolarHBondContact O-N 3.25Å; Q635-L639 HydrophobicContact CG-CD1 4.44Å; Q635-L639 PolarHBondContact O-N 3.12Å; Q635-L639 VanDerWaalsContact O-N 3.13Å
636	Q	68.3	Low	67.1	Low	42 Å²	42	88.2 Å²	88.2	20%	0.196	44%	0.444	C	S	.	.	H	α-helix	trans	-66.7	-46.2	175.4	-73.6	-175.7	-39.3	0	0	112.5	D632 L633 Q634 H638 L639 E640 F664	D632-Q636 WeakPolarHBondContact O-CG 3.48Å; D632-Q636 PolarHBondContact O-N 3.43Å; D632-Q636 VanDerWaalsContact O-N 3.09Å; L633-Q636 PolarHBondContact O-N 2.63Å; Q634-Q636 VanDerWaalsContact C-N 3.33Å; Q634-Q636 PolarHBondContact O-N 2.71Å; Q636-H638 VanDerWaalsContact C-N 3.27Å; Q636-H638 PolarHBondContact O-N 3.23Å; Q636-L639 WeakPolarHBondContact O-CB 3.19Å; Q636-L639 PolarHBondContact O-N 3.37Å; Q636-L639 VanDerWaalsContact O-N 3.09Å; Q636-E640 PolarHBondContact O-N 2.88Å; Q636-F664 VanDerWaalsContact OE1-CD1 3.31Å
637	Q	64.3	Low	65.3	Low	116 Å²	116	91 Å²	91	54%	0.542	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-38.5	177.6	-70.5	179.5	-18	0	0	112.3	L633 Q634 E640 Q641	L633-Q637 PolarHBondContact O-N 2.97Å; L633-Q637 VanDerWaalsContact O-N 3.11Å; Q634-Q637 PolarHBondContact O-N 3.41Å; Q637-E640 PolarHBondContact O-N 3.33Å; Q637-Q641 PolarHBondContact O-N 3.36Å; Q637-Q641 VanDerWaalsContact O-N 3.13Å
638	H	64.9	Low	63.2	Low	106 Å²	106	93.4 Å²	93.4	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-66.9	-37.7	175.5	-170	-80.9	0	0	0	112.5	Q634 Q636 F642	Q634-H638 PolarHBondContact O-N 3.07Å; Q634-H638 VanDerWaalsContact O-N 3.13Å; Q636-H638 VanDerWaalsContact C-N 3.27Å; Q636-H638 PolarHBondContact O-N 3.23Å; H638-F642 AromaticContact CE1-CD2 3.57Å; H638-F642 AromaticContact CE1-CE2 3.17Å; H638-F642 WeakPolarHBondContact CE1-CE2 3.42Å; H638-F642 AromaticContact CE1-CZ 3.9Å; H638-F642 AromaticContact ND1-CD2 3.75Å; H638-F642 AromaticContact ND1-CE2 3.84Å; H638-F642 AromaticContact NE2-CE2 3.56Å; H638-F642 WeakPolarHBondContact O-CD2 3.23Å; H638-F642 PolarHBondContact O-N 3.02Å
639	L	57.6	Low	60.9	Low	110 Å²	110	98.1 Å²	98.1	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-63.7	-42.7	174.4	-89.6	159.4	0	0	0	112.1	Q635 Q636 F642 Q643	Q635-L639 HydrophobicContact CG-CD1 4.44Å; Q635-L639 PolarHBondContact O-N 3.12Å; Q635-L639 VanDerWaalsContact O-N 3.13Å; Q636-L639 WeakPolarHBondContact O-CB 3.19Å; Q636-L639 PolarHBondContact O-N 3.37Å; Q636-L639 VanDerWaalsContact O-N 3.09Å; L639-F642 PolarHBondContact O-N 3.29Å; L639-Q643 WeakPolarHBondContact O-CB 3.25Å; L639-Q643 PolarHBondContact O-N 2.88Å
640	E	54	Low	58.5	Low	113 Å²	113	105 Å²	105	53%	0.528	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-43.7	179	-69.4	176.5	159.3	0	0	111.8	Q636 Q637 F642 Q643 D644	Q636-E640 PolarHBondContact O-N 2.88Å; Q637-E640 PolarHBondContact O-N 3.33Å; E640-F642 VanDerWaalsContact C-N 3.32Å; E640-F642 PolarHBondContact O-N 3.32Å; E640-Q643 PolarHBondContact O-N 2.95Å; E640-Q643 VanDerWaalsContact O-N 3.08Å; E640-D644 PolarHBondContact O-N 3.04Å
641	Q	50.8	Low	56.3	Low	138 Å²	138	111.2 Å²	111.2	65%	0.645	57%	0.568	S	S	*	*	H	α-helix	trans	-61.2	-36.8	175.5	-74.7	-170.7	-41.9	0	0	113.4	Q637 S645	Q637-Q641 PolarHBondContact O-N 3.36Å; Q637-Q641 VanDerWaalsContact O-N 3.13Å; Q641-S645 WeakPolarHBondContact O-CB 3.48Å; Q641-S645 PolarHBondContact O-N 3.04Å; Q641-S645 PolarHBondContact O-OG 3.17Å
642	F	53.8	Low	53.7	Low	137 Å²	137	112.8 Å²	112.8	60%	0.601	58%	0.582	S	S	*	*	H	α-helix	trans	-70.4	-34.3	174	-92.1	-106	0	0	0	112.1	H638 L639 E640 S645 G646	H638-F642 AromaticContact CE1-CD2 3.57Å; H638-F642 AromaticContact CE1-CE2 3.17Å; H638-F642 WeakPolarHBondContact CE1-CE2 3.42Å; H638-F642 AromaticContact CE1-CZ 3.9Å; H638-F642 AromaticContact ND1-CD2 3.75Å; H638-F642 AromaticContact ND1-CE2 3.84Å; H638-F642 AromaticContact NE2-CE2 3.56Å; H638-F642 WeakPolarHBondContact O-CD2 3.23Å; H638-F642 PolarHBondContact O-N 3.02Å; L639-F642 PolarHBondContact O-N 3.29Å; E640-F642 VanDerWaalsContact C-N 3.32Å; E640-F642 PolarHBondContact O-N 3.32Å; F642-S645 PolarHBondContact O-N 2.85Å; F642-G646 PolarHBondContact O-N 3.08Å
643	Q	51.5	Low	51.4	Low	147 Å²	147	120.5 Å²	120.5	69%	0.687	62%	0.618	S	S	*	*	H	α-helix	trans	-73.7	-31	-179	-162.6	165.3	18.1	0	0	113.3	L639 E640	L639-Q643 WeakPolarHBondContact O-CB 3.25Å; L639-Q643 PolarHBondContact O-N 2.88Å; E640-Q643 PolarHBondContact O-N 2.95Å; E640-Q643 VanDerWaalsContact O-N 3.08Å
644	D	44.9	Very low	49.1	Very low	103 Å²	103	128.7 Å²	128.7	55%	0.551	65%	0.653	S	S	*	*	H	α-helix	trans	-74.2	-39.1	169	-92.6	-24.2	0	0	0	112.6	E640 G646 K647	E640-D644 PolarHBondContact O-N 3.04Å; D644-G646 PolarHBondContact O-N 3.05Å; D644-K647 PolarHBondContact O-N 2.93Å; D644-K647 VanDerWaalsContact OD1-CE 3.3Å; D644-K647 WeakPolarHBondContact OD1-CE 3.36Å; D644-K647 IonicContact OD1-NZ 3.96Å; D644-K647 PolarHBondContact OD1-NZ 2.81Å
645	S	46.2	Very low	46.8	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	66%	0.659	S	S	*	*	H	α-helix	trans	-61.5	-28.9	175.2	-59.6	0	0	0	0	112.9	Q641 F642 K647	Q641-S645 WeakPolarHBondContact O-CB 3.48Å; Q641-S645 PolarHBondContact O-N 3.04Å; Q641-S645 PolarHBondContact O-OG 3.17Å; F642-S645 PolarHBondContact O-N 2.85Å; S645-K647 VanDerWaalsContact C-N 3.33Å; S645-K647 PolarHBondContact O-N 3.2Å
646	G	42	Very low	44.3	Very low	48 Å²	48	129.9 Å²	129.9	50%	0.495	67%	0.671	S	S	.	*	G	3₁₀ helix	trans	-71.5	-15.8	178.7	0	0	0	0	0	115.7	F642 D644 N648	F642-G646 PolarHBondContact O-N 3.08Å; D644-G646 PolarHBondContact O-N 3.05Å; G646-N648 PolarHBondContact O-N 3.08Å; G646-N648 VanDerWaalsContact O-N 3.13Å
647	K	43.4	Very low	42.3	Very low	152 Å²	152	132 Å²	132	66%	0.661	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-69.8	-10	-172.9	-70.6	173.2	-178.5	169.9	0	114.9	D644 S645	D644-K647 PolarHBondContact O-N 2.93Å; D644-K647 VanDerWaalsContact OD1-CE 3.3Å; D644-K647 WeakPolarHBondContact OD1-CE 3.36Å; D644-K647 IonicContact OD1-NZ 3.96Å; D644-K647 PolarHBondContact OD1-NZ 2.81Å; S645-K647 VanDerWaalsContact C-N 3.33Å; S645-K647 PolarHBondContact O-N 3.2Å
648	N	39	Very low	40.5	Very low	148 Å²	148	135.5 Å²	135.5	79%	0.791	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-96.7	-0.2	-175.5	-76.6	-15.8	0	0	0	115.7	G646	G646-N648 PolarHBondContact O-N 3.08Å; G646-N648 VanDerWaalsContact O-N 3.13Å
649	N	36.3	Very low	38.9	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	72%	0.718	S	S	*	*			trans	-127.5	120.6	175.6	-87.7	-41.4	0	0	0	112.2	Q651	N649-Q651 PolarHBondContact O-N 3.31Å
650	T	30.6	Very low	37.7	Very low	145 Å²	145	136.6 Å²	136.6	89%	0.89	73%	0.728	S	S	*	*			trans	-89.4	100.9	177.8	40.4	0	0	0	0	111.4
651	Q	35.8	Very low	37.1	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	73%	0.731	S	S	*	*			trans	-146.8	136.7	153.7	-119.4	169.6	10.6	0	0	111.7	N649	N649-Q651 PolarHBondContact O-N 3.31Å
652	T	30.8	Very low	36.9	Very low	138 Å²	138	129.4 Å²	129.4	85%	0.847	71%	0.708	S	S	*	*			trans	-104	93.2	-168.6	-51.6	0	0	0	0	110.7
653	E	31.4	Very low	36.5	Very low	176 Å²	176	123.6 Å²	123.6	82%	0.822	68%	0.682	S	S	*	*			trans	-104.3	134.4	162.9	-70.1	-143.7	130.6	0	0	111.3	I655	E653-I655 PolarHBondContact O-N 3.42Å
654	K	28.9	Very low	36.2	Very low	195 Å²	195	117 Å²	117	85%	0.848	65%	0.651	S	S	*	*			trans	-107.5	61.2	-162.9	-161.5	178.6	-176.3	-179.9	0	111.2	T656	K654-T656 PolarHBondContact O-N 3.03Å
655	I	29.5	Very low	36.1	Very low	137 Å²	137	114.3 Å²	114.3	70%	0.703	64%	0.64	S	S	*	*			trans	-70.7	116.4	179.7	-61.9	-179.8	0	0	0	109.5	E653 S657	E653-I655 PolarHBondContact O-N 3.42Å; I655-S657 PolarHBondContact O-N 3.27Å; I655-S657 VanDerWaalsContact O-N 3.11Å
656	T	25.9	Very low	36	Very low	142 Å²	142	114.5 Å²	114.5	87%	0.871	64%	0.638	S	S	*	*			trans	-85.3	82.6	-178	-57.9	0	0	0	0	110.2	K654	K654-T656 PolarHBondContact O-N 3.03Å
657	S	26.5	Very low	36	Very low	87 Å²	87	116.2 Å²	116.2	61%	0.608	64%	0.635	S	S	*	*			trans	-142.3	106.5	166.5	56.2	0	0	0	0	109.1	I655 P659	I655-S657 PolarHBondContact O-N 3.27Å; I655-S657 VanDerWaalsContact O-N 3.11Å; S657-P659 WeakPolarHBondContact O-CD 3.38Å
658	Q	26.6	Very low	35.8	Very low	189 Å²	189	111.3 Å²	111.3	88%	0.883	61%	0.613	S	S	*	*			trans	-72.3	114.3	166.7	-74.6	-178.4	-24	0	0	108.1	T660	Q658-T660 PolarHBondContact O-N 2.67Å
659	P	30.9	Very low	35.6	Very low	111 Å²	111	105.5 Å²	105.5	72%	0.721	59%	0.588	S	S	*	*			trans	-65.9	127.9	162.3	29.9	-32.3	0	0	0	107.2	S657 S661	S657-P659 WeakPolarHBondContact O-CD 3.38Å; P659-S661 PolarHBondContact O-N 3.28Å
660	T	33.6	Very low	35.4	Very low	128 Å²	128	102.4 Å²	102.4	79%	0.785	58%	0.575	S	S	*	*			trans	-68.3	98.3	174.4	48.1	0	0	0	0	108.7	Q658 G662	Q658-T660 PolarHBondContact O-N 2.67Å; T660-G662 PolarHBondContact O-N 2.83Å
661	S	41.1	Very low	35.4	Very low	86 Å²	86	102.2 Å²	102.2	60%	0.601	56%	0.564	S	S	*	*			trans	-52.9	107.7	-177	-46.4	0	0	0	0	110.7	P659	P659-S661 PolarHBondContact O-N 3.28Å
662	G	46.9	Very low	35.1	Very low	14 Å²	14	99.7 Å²	99.7	14%	0.144	55%	0.552	C	S	.	*			trans	-61.8	139.1	-179.6	0	0	0	0	0	110.1	T660 F664 S665	T660-G662 PolarHBondContact O-N 2.83Å; G662-F664 PolarHBondContact O-N 3Å; G662-F664 VanDerWaalsContact O-N 3.09Å; G662-S665 PolarHBondContact O-N 2.71Å; G662-S665 PolarHBondContact O-OG 3.16Å; G662-S665 VanDerWaalsContact O-OG 3.09Å
663	M	44.6	Very low	35	Very low	14 Å²	14	98.3 Å²	98.3	7%	0.069	55%	0.548	C	S	.	.	H	α-helix	trans	-62.2	-29.8	-168.2	-157.1	-173.7	-49.8	0	0	112.6	V432 K446 S665 T666 L667 L876 E880	V432-M663 HydrophobicContact CB-SD 4.04Å; V432-M663 HydrophobicContact CG1-SD 3.33Å; V432-M663 WeakPolarHBondContact CG1-SD 3.38Å; V432-M663 HydrophobicContact CG2-CE 3.57Å; V432-M663 HydrophobicContact CG2-SD 3.44Å; V432-M663 WeakPolarHBondContact CG2-SD 3.41Å; K446-M663 HydrophobicContact CD-CE 4.2Å; K446-M663 HydrophobicContact CG-CE 4.24Å; M663-S665 VanDerWaalsContact C-N 3.33Å; M663-S665 PolarHBondContact O-N 2.86Å; M663-T666 WeakPolarHBondContact O-CA 3.28Å; M663-T666 WeakPolarHBondContact O-CB 3.43Å; M663-T666 PolarHBondContact O-N 3.01Å; M663-L667 PolarHBondContact O-N 3.46Å; M663-L876 HydrophobicContact CE-CD1 4.4Å; M663-L876 HydrophobicContact SD-CD1 3.85Å; M663-L876 HydrophobicContact SD-CD2 3.86Å; M663-L876 HydrophobicContact SD-CG 4.22Å; M663-E880 PolarHBondContact N-OE1 3.38Å
664	F	45.3	Very low	34.9	Very low	9 Å²	9	93 Å²	93	4%	0.039	54%	0.535	C	S	.	.	H	α-helix	trans	-55.3	-41.1	171.7	-165.6	-102.3	0	0	0	112.8	L633 Q636 G662 T666 L667 Y668 Y877	L633-F664 HydrophobicContact CD1-CZ 4.42Å; L633-F664 HydrophobicContact CD2-CE1 3.62Å; L633-F664 HydrophobicContact CD2-CZ 3.86Å; L633-F664 HydrophobicContact CG-CE1 3.91Å; L633-F664 HydrophobicContact CG-CZ 4Å; Q636-F664 VanDerWaalsContact OE1-CD1 3.31Å; G662-F664 PolarHBondContact O-N 3Å; G662-F664 VanDerWaalsContact O-N 3.09Å; F664-T666 PolarHBondContact O-N 3.32Å; F664-L667 PolarHBondContact O-N 2.9Å; F664-Y668 HydrophobicContact CD1-CD2 4.11Å; F664-Y668 AromaticContact CD2-CD2 3.97Å; F664-Y668 HydrophobicContact CD2-CD2 3.97Å; F664-Y668 AromaticContact CD2-CE2 3.78Å; F664-Y668 HydrophobicContact CD2-CE2 3.78Å; F664-Y668 AromaticContact CE1-CD2 3.96Å; F664-Y668 HydrophobicContact CE1-CD2 3.96Å; F664-Y668 HydrophobicContact CE1-CE2 4.28Å; F664-Y668 AromaticContact CE2-CD2 3.83Å; F664-Y668 HydrophobicContact CE2-CD2 3.83Å; F664-Y668 AromaticContact CE2-CE2 3.38Å; F664-Y668 HydrophobicContact CE2-CE2 3.38Å; F664-Y668 HydrophobicContact CG-CD2 4.11Å; F664-Y668 HydrophobicContact CG-CE2 4.4Å; F664-Y668 AromaticContact CZ-CD2 3.82Å; F664-Y668 HydrophobicContact CZ-CD2 3.82Å; F664-Y668 AromaticContact CZ-CE2 3.66Å; F664-Y668 HydrophobicContact CZ-CE2 3.66Å; F664-Y668 WeakPolarHBondContact O-CD2 3.25Å; F664-Y668 PolarHBondContact O-N 2.88Å; F664-Y877 AromaticContact CD2-CD2 3.69Å; F664-Y877 HydrophobicContact CD2-CD2 3.69Å; F664-Y877 HydrophobicContact CD2-CG 4.42Å; F664-Y877 AromaticContact CE2-CD2 3.71Å; F664-Y877 HydrophobicContact CE2-CD2 3.71Å; F664-Y877 HydrophobicContact CE2-CG 4.3Å; F664-Y877 HydrophobicContact CG-CD2 4.28Å; F664-Y877 HydrophobicContact CZ-CD2 4.34Å
665	S	43.3	Very low	34.8	Very low	46 Å²	46	92.2 Å²	92.2	32%	0.322	54%	0.536	S	S	.	.	H	α-helix	trans	-72.1	-10.9	175.7	85.3	0	0	0	0	113.5	G662 M663 G669	G662-S665 PolarHBondContact O-N 2.71Å; G662-S665 PolarHBondContact O-OG 3.16Å; G662-S665 VanDerWaalsContact O-OG 3.09Å; M663-S665 VanDerWaalsContact C-N 3.33Å; M663-S665 PolarHBondContact O-N 2.86Å; S665-G669 WeakPolarHBondContact O-CA 3.11Å; S665-G669 PolarHBondContact O-N 3.3Å
666	T	44.6	Very low	34.8	Very low	96 Å²	96	91.4 Å²	91.4	59%	0.589	54%	0.538	S	S	*	.	H	α-helix	trans	-93.3	-13.8	175.1	-42.8	0	0	0	0	112	M663 F664	M663-T666 WeakPolarHBondContact O-CA 3.28Å; M663-T666 WeakPolarHBondContact O-CB 3.43Å; M663-T666 PolarHBondContact O-N 3.01Å; F664-T666 PolarHBondContact O-N 3.32Å
667	L	41.6	Very low	34.9	Very low	84 Å²	84	88.8 Å²	88.8	44%	0.44	53%	0.525	S	S	.	.	H	α-helix	trans	-99.5	-29.2	175.5	-78.4	161.7	0	0	0	112.6	M663 F664 L876	M663-L667 PolarHBondContact O-N 3.46Å; F664-L667 PolarHBondContact O-N 2.9Å; L667-L876 HydrophobicContact CD1-CD2 3.45Å; L667-L876 VanDerWaalsContact CD1-CD2 3.45Å
668	Y	39.2	Very low	35	Very low	49 Å²	49	91.6 Å²	91.6	19%	0.192	53%	0.532	C	S	.	.	H	α-helix	trans	-104.2	-18.6	176.7	-69.5	-78.1	0	0	0	114.5	F664 F848 V866	F664-Y668 HydrophobicContact CD1-CD2 4.11Å; F664-Y668 AromaticContact CD2-CD2 3.97Å; F664-Y668 HydrophobicContact CD2-CD2 3.97Å; F664-Y668 AromaticContact CD2-CE2 3.78Å; F664-Y668 HydrophobicContact CD2-CE2 3.78Å; F664-Y668 AromaticContact CE1-CD2 3.96Å; F664-Y668 HydrophobicContact CE1-CD2 3.96Å; F664-Y668 HydrophobicContact CE1-CE2 4.28Å; F664-Y668 AromaticContact CE2-CD2 3.83Å; F664-Y668 HydrophobicContact CE2-CD2 3.83Å; F664-Y668 AromaticContact CE2-CE2 3.38Å; F664-Y668 HydrophobicContact CE2-CE2 3.38Å; F664-Y668 HydrophobicContact CG-CD2 4.11Å; F664-Y668 HydrophobicContact CG-CE2 4.4Å; F664-Y668 AromaticContact CZ-CD2 3.82Å; F664-Y668 HydrophobicContact CZ-CD2 3.82Å; F664-Y668 AromaticContact CZ-CE2 3.66Å; F664-Y668 HydrophobicContact CZ-CE2 3.66Å; F664-Y668 WeakPolarHBondContact O-CD2 3.25Å; F664-Y668 PolarHBondContact O-N 2.88Å; Y668-F848 HydrophobicContact CE1-CE1 4.26Å; Y668-V866 VanDerWaalsContact OH-CG1 3.24Å; Y668-V866 WeakPolarHBondContact OH-CG1 3.49Å
669	G	33.7	Very low	35.1	Very low	26 Å²	26	93.6 Å²	93.6	27%	0.268	53%	0.533	S	S	.	.	S	Bend	trans	-69.8	130.9	171.5	0	0	0	0	0	110.9	S665 Q671	S665-G669 WeakPolarHBondContact O-CA 3.11Å; S665-G669 PolarHBondContact O-N 3.3Å; G669-Q671 PolarHBondContact O-N 3.3Å
670	T	32.4	Very low	34.8	Very low	88 Å²	88	99.3 Å²	99.3	54%	0.54	54%	0.54	S	S	.	.			trans	-60.5	128.2	-172.5	48	0	0	0	0	112.5	E672	T670-E672 PolarHBondContact O-N 2.88Å
671	Q	31.8	Very low	34.5	Very low	142 Å²	142	98.1 Å²	98.1	66%	0.664	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-77.5	15.5	-174.4	-150.8	175.6	11.9	0	0	114.1	G669 S673 A674 N849	G669-Q671 PolarHBondContact O-N 3.3Å; Q671-S673 VanDerWaalsContact C-N 3.27Å; Q671-S673 PolarHBondContact O-N 3.09Å; Q671-A674 HydrophobicContact CG-CB 4.46Å; Q671-N849 PolarHBondContact OE1-ND2 3.4Å
672	E	28	Very low	34	Very low	137 Å²	137	100 Å²	100	64%	0.64	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-70.5	-13.1	-172.2	-67.8	-167.5	120.9	0	0	115	T670	T670-E672 PolarHBondContact O-N 2.88Å
673	S	29	Very low	33.3	Very low	108 Å²	108	107.9 Å²	107.9	76%	0.755	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-110.2	0.7	-174.9	-68.5	0	0	0	0	115.5	Q671	Q671-S673 VanDerWaalsContact C-N 3.27Å; Q671-S673 PolarHBondContact O-N 3.09Å
674	A	28.6	Very low	32.7	Very low	66 Å²	66	112 Å²	112	55%	0.545	61%	0.605	S	S	.	*	S	Bend	trans	-95	-16.6	-174.4	0	0	0	0	0	115	Q671	Q671-A674 HydrophobicContact CG-CB 4.46Å
675	M	28.6	Very low	32.2	Very low	178 Å²	178	120.4 Å²	120.4	88%	0.877	64%	0.644	S	S	*	*	S	Bend	trans	-109.1	-9.1	-172.1	-149.2	162.7	-168.9	0	0	114.2
676	T	29.6	Very low	31.4	Very low	120 Å²	120	125.2 Å²	125.2	74%	0.736	67%	0.666	S	S	*	*	S	Bend	trans	-104.3	0.6	-167.8	-19.5	0	0	0	0	114.1
677	S	26.7	Very low	30.9	Very low	87 Å²	87	125.8 Å²	125.8	61%	0.608	67%	0.671	S	S	*	*	S	Bend	trans	-106	-8.1	-171.1	55.1	0	0	0	0	115.4	Y679	S677-Y679 VanDerWaalsContact C-N 3.33Å; S677-Y679 PolarHBondContact O-N 3.48Å
678	I	29.2	Very low	30.3	Very low	146 Å²	146	128.7 Å²	128.7	75%	0.749	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-13.6	-175.1	-65.3	177.6	0	0	0	112.8
679	Y	28.2	Very low	29.8	Very low	231 Å²	231	131.1 Å²	131.1	91%	0.906	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	39.6	-177.6	-99	-79.9	0	0	0	114.8	S677	S677-Y679 VanDerWaalsContact C-N 3.33Å; S677-Y679 PolarHBondContact O-N 3.48Å
680	R	25.7	Very low	29.8	Very low	231 Å²	231	136.1 Å²	136.1	87%	0.872	75%	0.745	S	S	*	*			trans	-152.7	74.9	172.7	-166.9	166.2	-78.6	179.8	-4.8	116
681	S	26.5	Very low	29.3	Very low	103 Å²	103	138 Å²	138	72%	0.72	76%	0.761	S	S	*	*			trans	-159.4	156.2	148.5	69.7	0	0	0	0	111.9
682	T	31.7	Very low	29.2	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	77%	0.771	S	S	*	*			trans	66.3	131.1	-167.2	73.9	0	0	0	0	113.7
683	H	31.3	Very low	29	Very low	179 Å²	179	141.9 Å²	141.9	83%	0.829	78%	0.782	S	S	*	*			cis	-119.8	160	4.2	-83.8	-101.2	0	0	0	113.4
684	P	32.7	Very low	29	Very low	100 Å²	100	142.5 Å²	142.5	65%	0.649	79%	0.786	S	S	*	*			trans	-98.2	166.4	173.4	37.3	-33.3	0	0	0	114.8
685	H	34.4	Very low	28.8	Very low	186 Å²	186	145.8 Å²	145.8	86%	0.861	81%	0.806	S	S	*	*			trans	94.2	125.8	167.1	-63.4	-74.5	0	0	0	120.6
686	L	25.3	Very low	28.9	Very low	147 Å²	147	140.6 Å²	140.6	77%	0.77	80%	0.798	S	S	*	*			trans	-69.8	177.7	175.8	-110	72.6	0	0	0	113
687	P	35	Very low	28.9	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	80%	0.799	S	S	*	*			cis	-147.3	155.9	34.8	38.6	-16.2	0	0	0	121.5
688	N	29.2	Very low	28.9	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	81%	0.811	S	S	*	*			trans	55	109	138.4	-56.2	-1.4	0	0	0	122.8
689	A	29.4	Very low	29	Very low	100 Å²	100	146.2 Å²	146.2	83%	0.826	81%	0.813	S	S	*	*			trans	-151.8	150.1	137.6	0	0	0	0	0	110.1
690	P	32	Very low	28.9	Very low	131 Å²	131	141.7 Å²	141.7	85%	0.851	80%	0.804	S	S	*	*			trans	-101.2	171.9	-165.7	39.1	-36.5	0	0	0	116.3
691	C	22	Very low	29.1	Very low	128 Å²	128	136.2 Å²	136.2	87%	0.865	80%	0.796	S	S	*	*			trans	-77.7	149.6	-172.9	-45.2	0	0	0	0	115.3
692	I	30.8	Very low	29	Very low	172 Å²	172	136.3 Å²	136.3	88%	0.882	80%	0.797	S	S	*	*			trans	-136.9	145.8	147.7	-64.3	-174.7	0	0	0	107.7
693	E	23.4	Very low	29	Very low	188 Å²	188	138.3 Å²	138.3	88%	0.879	80%	0.797	S	S	*	*			trans	-80.1	145.9	-176	-57.7	167.5	116.8	0	0	113.2
694	S	29.2	Very low	28.8	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	80%	0.8	S	S	*	*			trans	-151.4	127.9	149.9	64.3	0	0	0	0	111.9
695	S	24.4	Very low	28.8	Very low	136 Å²	136	138.7 Å²	138.7	95%	0.951	81%	0.805	S	S	*	*			trans	-77.3	122.9	178.8	-57.4	0	0	0	0	110.7
696	G	29.9	Very low	28.4	Very low	69 Å²	69	132.9 Å²	132.9	71%	0.711	80%	0.796	S	S	*	*			trans	-146.9	71.5	-168	0	0	0	0	0	115.9
697	V	30.8	Very low	28.4	Very low	126 Å²	126	132.1 Å²	132.1	76%	0.764	80%	0.803	S	S	*	*			trans	42.7	96.1	153.2	-170.8	0	0	0	0	117.2	K699	V697-K699 HydrophobicContact CG1-CG 4.31Å
698	L	26.3	Very low	28.1	Very low	164 Å²	164	130.8 Å²	130.8	86%	0.859	81%	0.809	S	S	*	*			trans	-66.4	130.4	145.2	-91.1	77.7	0	0	0	108.7
699	K	30.6	Very low	28.1	Very low	180 Å²	180	131.9 Å²	131.9	78%	0.783	81%	0.814	S	S	*	*			trans	-89.5	127.9	144	-65.1	-180	176.7	175.8	0	105.3	V697	V697-K699 HydrophobicContact CG1-CG 4.31Å
700	N	26.3	Very low	28	Very low	136 Å²	136	138.3 Å²	138.3	73%	0.727	82%	0.817	S	S	*	*				47	128	72.2	-71.6	-10.3	0	0	0	111.5
701	V	29.7	Very low	27.7	Very low	117 Å²	117	136.2 Å²	136.2	71%	0.709	81%	0.805	S	S	*	*			cis	-133.8	132.2	34.7	175.8	0	0	0	0	112.8	H703	V701-H703 VanDerWaalsContact CG1-CE1 3.42Å; V701-H703 WeakPolarHBondContact CG1-CE1 3.41Å; V701-H703 WeakPolarHBondContact CG1-ND1 3.39Å
702	S	24.7	Very low	27.9	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	80%	0.797	S	S	*	*			trans	-102.5	138.5	153.4	54.9	0	0	0	0	109.6
703	H	30.7	Very low	27.7	Very low	166 Å²	166	134.8 Å²	134.8	77%	0.769	79%	0.786	S	S	*	*			trans	-164.6	116	145.3	45.8	-95.2	0	0	0	113.1	V701	V701-H703 VanDerWaalsContact CG1-CE1 3.42Å; V701-H703 WeakPolarHBondContact CG1-CE1 3.41Å; V701-H703 WeakPolarHBondContact CG1-ND1 3.39Å
704	L	28.7	Very low	28.1	Very low	170 Å²	170	132.6 Å²	132.6	89%	0.89	79%	0.786	S	S	*	*			trans	-114.7	138.4	141	-109.4	157.4	0	0	0	105.1
705	P	32.9	Very low	27.9	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	79%	0.788	S	S	*	*				-150.6	151.9	122.9	36.1	-19.9	0	0	0	116
706	G	24.8	Very low	28.2	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	78%	0.775	S	S	*	*				83	82.1	128.1	0	0	0	0	0	120.7
707	S	26.1	Very low	28	Very low	130 Å²	130	137.5 Å²	137.5	91%	0.909	78%	0.781	S	S	*	*			trans	37.9	117.2	132.7	59.3	0	0	0	0	121.4
708	G	28.8	Very low	28.1	Very low	82 Å²	82	139.7 Å²	139.7	85%	0.845	79%	0.787	S	S	*	*			trans	-165.8	123.8	165.3	0	0	0	0	0	115
709	L	28.8	Very low	28	Very low	168 Å²	168	135 Å²	135	88%	0.88	78%	0.778	S	S	*	*			trans	-56.4	145.1	-177.6	-72.9	141.7	0	0	0	117.3
710	R	26.7	Very low	27.7	Very low	235 Å²	235	131.5 Å²	131.5	89%	0.887	78%	0.783	S	S	*	*			trans	57.8	146.6	155.6	-89.2	177.5	162.5	178	-5.8	116.6
711	S	25.5	Very low	27.7	Very low	86 Å²	86	133.7 Å²	133.7	60%	0.601	79%	0.79	S	S	*	*			cis	-167	171.7	-5.7	-129.6	0	0	0	0	106.1
712	E	27.3	Very low	27.5	Very low	147 Å²	147	133.1 Å²	133.1	69%	0.687	80%	0.798	S	S	*	*			cis	-164	-172.3	5.6	-146.4	154	-85.1	0	0	110.4
713	N	26.4	Very low	27.5	Very low	124 Å²	124	137.5 Å²	137.5	66%	0.663	81%	0.807	S	S	*	*			trans	43.2	97.8	155.8	-69.1	-46.3	0	0	0	119.8
714	T	31.1	Very low	27.3	Very low	142 Å²	142	134.3 Å²	134.3	87%	0.871	80%	0.803	S	S	*	*				-163.9	146.7	129.4	-79	0	0	0	0	110.2
715	Y	26.2	Very low	27.2	Very low	225 Å²	225	132.8 Å²	132.8	88%	0.882	80%	0.801	S	S	*	*			trans	-89	146.9	-179.2	-76.2	-109	0	0	0	112.8
716	G	29.6	Very low	26.9	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	81%	0.81	S	S	*	*			trans	147.3	104.7	173.3	0	0	0	0	0	109.5
717	V	27	Very low	26.9	Very low	137 Å²	137	140.6 Å²	140.6	83%	0.83	81%	0.809	S	S	*	*				57.9	81.2	53.6	-166.5	0	0	0	0	112.2
718	I	31.9	Very low	27	Very low	172 Å²	172	140.1 Å²	140.1	88%	0.882	81%	0.806	S	S	*	*				-166.3	125.6	123	-95.2	152.9	0	0	0	108.7
719	G	23.7	Very low	26.9	Very low	66 Å²	66	140.3 Å²	140.3	68%	0.68	81%	0.808	S	S	*	*			trans	-147.6	151.8	165	0	0	0	0	0	107.7
720	A	24.9	Very low	26.8	Very low	106 Å²	106	137.7 Å²	137.7	88%	0.876	80%	0.804	S	S	*	*			trans	54.9	83.9	176.4	0	0	0	0	0	117.4
721	M	25.3	Very low	26.8	Very low	181 Å²	181	136.2 Å²	136.2	89%	0.892	81%	0.807	S	S	*	*			trans	-153.5	102.3	139.1	-112.9	-164.7	-175.3	0	0	110.7
722	A	26.5	Very low	26.9	Very low	105 Å²	105	137.7 Å²	137.7	87%	0.868	82%	0.817	S	S	*	*			trans	-148.6	24.2	-177.2	0	0	0	0	0	114.5
723	E	25.5	Very low	27	Very low	198 Å²	198	139.9 Å²	139.9	93%	0.925	83%	0.83	S	S	*	*			trans	-139.8	65.8	174	-163.7	167.4	-142.9	0	0	112
724	S	24.8	Very low	26.9	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	84%	0.838	S	S	*	*	S	Bend	trans	-143.3	7.6	-179.1	56.8	0	0	0	0	115.8
725	V	27.7	Very low	26.8	Very low	138 Å²	138	149.2 Å²	149.2	84%	0.836	84%	0.841	S	S	*	*			trans	-136.1	85	176.1	-170.1	0	0	0	0	112
726	R	25.7	Very low	26.9	Very low	253 Å²	253	143.5 Å²	143.5	96%	0.955	83%	0.834	S	S	*	*			trans	-146	37.2	162.6	-144.1	173.6	-171.5	167	4.3	115.7
727	S	26.5	Very low	26.8	Very low	93 Å²	93	143.6 Å²	143.6	65%	0.65	84%	0.835	S	S	*	*	S	Bend	trans	-149.7	72	170	61.8	0	0	0	0	113.7
728	S	27.9	Very low	27	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	83%	0.829	S	S	*	*			trans	-162.6	56	157.1	-83.1	0	0	0	0	111.4	S730	S728-S730 VanDerWaalsContact C-N 3.29Å; S728-S730 PolarHBondContact O-N 3.1Å; S728-S730 VanDerWaalsContact O-N 3.14Å
729	G	25.2	Very low	26.8	Very low	86 Å²	86	140.8 Å²	140.8	89%	0.887	83%	0.825	S	S	*	*			trans	-83.2	67.2	171.3	0	0	0	0	0	112
730	S	28.6	Very low	27.2	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	83%	0.83	S	S	*	*			trans	-133.8	125.8	173.8	-71.2	0	0	0	0	109.7	S728	S728-S730 VanDerWaalsContact C-N 3.29Å; S728-S730 PolarHBondContact O-N 3.1Å; S728-S730 VanDerWaalsContact O-N 3.14Å
731	Q	26.3	Very low	27.4	Very low	204 Å²	204	150.8 Å²	150.8	95%	0.953	83%	0.83	S	S	*	*			trans	-77.7	130.4	-172.2	-65.2	162.9	-28.5	0	0	112
732	S	26.9	Very low	27.4	Very low	116 Å²	116	149.2 Å²	149.2	81%	0.811	82%	0.82	S	S	*	*			trans	-131.1	139.8	147.6	62.7	0	0	0	0	108.3
733	M	28.8	Very low	27.7	Very low	194 Å²	194	149.4 Å²	149.4	96%	0.956	81%	0.813	S	S	*	*			trans	-74.4	132.4	-169.5	-73.5	175.7	158.1	0	0	112.2
734	Y	26	Very low	27.9	Very low	217 Å²	217	148.1 Å²	148.1	85%	0.851	81%	0.807	S	S	*	*			trans	-76.1	131.4	155.4	-106	-90.1	0	0	0	110
735	R	27.8	Very low	28.3	Very low	245 Å²	245	150.1 Å²	150.1	93%	0.925	82%	0.815	S	S	*	*			trans	-143.5	99.1	149.6	-164.8	176.2	-168.3	178.1	5.2	109.7
736	S	27.9	Very low	28.3	Very low	104 Å²	104	151 Å²	151	73%	0.727	81%	0.814	S	S	*	*			trans	-69.7	145.8	173.4	-61	0	0	0	0	111
737	G	29.1	Very low	28.3	Very low	69 Å²	69	146.9 Å²	146.9	71%	0.711	81%	0.805	S	S	*	*			trans	-168.9	29.4	-172	0	0	0	0	0	117.6
738	S	30.3	Very low	29	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	80%	0.801	S	S	*	*			trans	42.4	130.5	157.9	63.4	0	0	0	0	122.1
739	N	28	Very low	28.9	Very low	151 Å²	151	147.9 Å²	147.9	81%	0.807	80%	0.798	S	S	*	*			trans	72.8	136.3	158.9	-51.1	-35.4	0	0	0	115.8
740	L	31	Very low	29.2	Very low	150 Å²	150	149 Å²	149	79%	0.785	79%	0.788	S	S	*	*			cis	-158.4	146.5	34.3	-161.5	79.3	0	0	0	113
741	R	30.3	Very low	29.3	Very low	232 Å²	232	153.3 Å²	153.3	88%	0.875	79%	0.787	S	S	*	*			trans	38.6	122.4	156	-81.6	-178.1	167.1	-179.7	-3.7	122.6
742	E	24.9	Very low	29.5	Very low	147 Å²	147	152.4 Å²	152.4	69%	0.687	78%	0.775	S	S	*	*			trans	-115.8	154.1	133.6	-178.2	-176.2	168.8	0	0	108.3	Q744	E742-Q744 WeakPolarHBondContact OE1-CG 3.49Å; E742-Q744 PolarHBondContact OE1-NE2 3.35Å
743	P	33.4	Very low	29.6	Very low	110 Å²	110	153.1 Å²	153.1	71%	0.714	77%	0.774	S	S	*	*			trans	-131.9	126.9	154.4	35.1	-20.8	0	0	0	113.4
744	Q	28.1	Very low	29.7	Very low	170 Å²	170	148.2 Å²	148.2	79%	0.794	76%	0.759	S	S	*	*			trans	-94.5	158	159.5	-62.6	-170	10.2	0	0	110.5	E742	E742-Q744 WeakPolarHBondContact OE1-CG 3.49Å; E742-Q744 PolarHBondContact OE1-NE2 3.35Å
745	V	33.2	Very low	30.1	Very low	141 Å²	141	146.6 Å²	146.6	86%	0.855	76%	0.759	S	S	*	*			trans	-126.7	139	-176.6	175.1	0	0	0	0	109.9
746	L	28.9	Very low	30.4	Very low	156 Å²	156	139.1 Å²	139.1	82%	0.817	74%	0.744	S	S	*	*			trans	-148.1	120.1	179	-168.1	70.7	0	0	0	111.5
747	E	25	Very low	30.6	Very low	167 Å²	167	141.7 Å²	141.7	78%	0.78	75%	0.749	S	S	*	*			trans	64.4	177.5	154.4	-77.8	-137.5	136.8	0	0	119.7
748	P	40.4	Very low	30.9	Very low	85 Å²	85	144.3 Å²	144.3	55%	0.552	76%	0.757	S	S	*	*				-144.7	-177.6	-52.9	42.6	-27.2	0	0	0	117.2
749	N	26.2	Very low	30.9	Very low	149 Å²	149	142.9 Å²	142.9	80%	0.797	76%	0.758	S	S	*	*			trans	86.1	154.3	142.5	-80.5	-45.8	0	0	0	124.5
750	V	32.4	Very low	31.2	Very low	111 Å²	111	141.7 Å²	141.7	67%	0.673	76%	0.756	S	S	*	*			trans	121.2	99.7	142.4	-174.4	0	0	0	0	120.1
751	R	30.6	Very low	31.3	Very low	202 Å²	202	141.3 Å²	141.3	76%	0.762	76%	0.755	S	S	*	*			trans	72.8	158	142	-71.8	176.5	-170.4	169.9	3.5	121.2
752	R	30.2	Very low	31.5	Very low	186 Å²	186	136.9 Å²	136.9	70%	0.702	75%	0.754	S	S	*	*			cis	-179.6	126.2	-12.7	164	-167.7	-86.1	-178.4	-9.8	114.2
753	V	30	Very low	31.8	Very low	131 Å²	131	137.8 Å²	137.8	79%	0.794	76%	0.763	S	S	*	*			trans	68.1	154.3	148.4	177.9	0	0	0	0	117.2
754	S	31	Very low	32.1	Very low	91 Å²	91	138.1 Å²	138.1	64%	0.636	77%	0.765	S	S	*	*			cis	-160.5	158.6	23.3	9	0	0	0	0	115.7
755	H	34.4	Very low	32.2	Very low	183 Å²	183	138.4 Å²	138.4	85%	0.847	77%	0.771	S	S	*	*			trans	59.8	149.9	148.2	-66.2	-56.9	0	0	0	121.2
756	S	33.2	Very low	31.8	Very low	88 Å²	88	136.7 Å²	136.7	62%	0.615	76%	0.764	S	S	*	*			cis	-165.4	154.3	-10.7	45.3	0	0	0	0	112.6
757	D	32.3	Very low	31.8	Very low	157 Å²	157	134.9 Å²	134.9	84%	0.84	76%	0.759	S	S	*	*			trans	63.6	143.3	157.8	-55.6	-21.8	0	0	0	119.9
758	S	34.2	Very low	31.9	Very low	124 Å²	124	133.1 Å²	133.1	87%	0.867	76%	0.756	S	S	*	*			cis	-153.8	158.2	-1.3	53.6	0	0	0	0	111
759	G	30.4	Very low	31.5	Very low	69 Å²	69	139.3 Å²	139.3	71%	0.711	77%	0.769	S	S	*	*			trans	156.5	73.4	171.9	0	0	0	0	0	119.6
760	T	35.4	Very low	31.5	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	77%	0.769	S	S	*	*			trans	49.4	98	154.8	53.5	0	0	0	0	122.3
761	N	33.4	Very low	31.5	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	78%	0.777	S	S	*	*				79.4	111	118.9	-62.6	1.4	0	0	0	124.6
762	T	34.3	Very low	31.5	Very low	139 Å²	139	136.6 Å²	136.6	85%	0.853	78%	0.778	S	S	*	*			trans	88.9	154.4	131.3	53.6	0	0	0	0	121.8
763	L	30.2	Very low	31.3	Very low	167 Å²	167	136.9 Å²	136.9	87%	0.874	78%	0.784	S	S	*	*			trans	-119.9	163.3	-155.2	-78.9	161.1	0	0	0	113.4
764	P	40.5	Very low	31.3	Very low	117 Å²	117	138.5 Å²	138.5	76%	0.76	79%	0.786	S	S	*	*			trans	-92.2	163.4	179.2	37.3	-36.1	0	0	0	114.6
765	L	29.9	Very low	31.1	Very low	175 Å²	175	139 Å²	139	92%	0.916	79%	0.79	S	S	*	*			trans	-150.7	171.2	165.9	-157.3	63.5	0	0	0	111.2
766	C	25.6	Very low	31.5	Very low	106 Å²	106	135.6 Å²	135.6	72%	0.716	78%	0.784	S	S	*	*			trans	-116.5	170.4	-163.2	-59	0	0	0	0	115.7
767	T	28.8	Very low	31.5	Very low	117 Å²	117	139.4 Å²	139.4	72%	0.718	79%	0.792	S	S	*	*			trans	74.2	111.8	145.3	42.6	0	0	0	0	123.1
768	N	27.3	Very low	31.4	Very low	131 Å²	131	136.8 Å²	136.8	70%	0.701	78%	0.782	S	S	*	*				95.6	147.6	117.3	-70.9	-3.6	0	0	0	124.9
769	Y	30.9	Very low	31.1	Very low	214 Å²	214	137 Å²	137	84%	0.839	77%	0.774	S	S	*	*			trans	95.8	139.7	154.5	-76.1	-65.7	0	0	0	122.1
770	N	27.2	Very low	31	Very low	148 Å²	148	139.7 Å²	139.7	79%	0.791	78%	0.776	S	S	*	*			trans	-102.1	168.5	177.3	-60	-64	0	0	0	110.6
771	I	31.3	Very low	30.6	Very low	163 Å²	163	139.8 Å²	139.8	84%	0.836	78%	0.776	S	S	*	*				175.5	128.3	126.8	-94	158.1	0	0	0	113.1
772	A	30.7	Very low	30.6	Very low	95 Å²	95	138.2 Å²	138.2	79%	0.785	77%	0.774	S	S	*	*			trans	52.2	168.4	147.3	0	0	0	0	0	123.3
773	K	26.3	Very low	30.4	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	78%	0.777	S	S	*	*			cis	174	120.6	-38	177.8	-172.7	179.4	-174	0	109.2
774	I	30.3	Very low	30.1	Very low	165 Å²	165	142 Å²	142	85%	0.846	77%	0.774	S	S	*	*			trans	-142.1	138.7	167.1	-59.2	-176.6	0	0	0	112.6
775	S	27.1	Very low	29.7	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	77%	0.771	S	S	*	*			trans	-157.4	178.5	163.1	-40	0	0	0	0	106
776	P	42.2	Very low	29.5	Very low	111 Å²	111	139.7 Å²	139.7	72%	0.721	76%	0.762	S	S	*	*			cis	-121.1	-125.4	30.4	25.4	1.8	0	0	0	111
777	E	32.2	Very low	29.7	Very low	167 Å²	167	140.7 Å²	140.7	78%	0.78	77%	0.771	S	S	*	*			cis	-166.1	168.3	-1.9	-140.2	176.1	-116.7	0	0	106.9
778	T	31.9	Very low	29.6	Very low	102 Å²	102	144.2 Å²	144.2	63%	0.626	78%	0.779	S	S	*	*			cis	-125.3	-149.8	2.8	49.2	0	0	0	0	108
779	N	27.9	Very low	29.7	Very low	130 Å²	130	146.8 Å²	146.8	70%	0.695	79%	0.789	S	S	*	*			cis	-165.5	173.6	-5.1	-132.2	-49.6	0	0	0	106
780	V	28.2	Very low	29.5	Very low	124 Å²	124	144.7 Å²	144.7	75%	0.752	79%	0.791	S	S	*	*			cis	-141	168.2	-0.8	-163	0	0	0	0	107.2
781	V	26.2	Very low	29.3	Very low	129 Å²	129	148.3 Å²	148.3	78%	0.782	79%	0.793	S	S	*	*			trans	-135.5	141.8	171.9	175.9	0	0	0	0	111.1
782	P	32.7	Very low	29	Very low	109 Å²	109	144.8 Å²	144.8	71%	0.708	78%	0.783	S	S	*	*			trans	-146.1	143.8	132.9	34.7	-18	0	0	0	116.9
783	Q	30.4	Very low	28.6	Very low	195 Å²	195	150 Å²	150	91%	0.911	79%	0.791	S	S	*	*			trans	69.8	148	147.7	-66.3	175.7	-5.6	0	0	121.7
784	K	25.1	Very low	28.6	Very low	190 Å²	190	150.4 Å²	150.4	83%	0.826	79%	0.793	S	S	*	*			trans	-124.9	157.1	172.7	-152.1	-171	-175.8	-174.3	0	106.2
785	P	30.8	Very low	28.2	Very low	106 Å²	106	145.1 Å²	145.1	69%	0.688	78%	0.78	S	S	*	*				-152.4	170.3	95.2	39.7	-22	0	0	0	116.3
786	N	25.8	Very low	28.2	Very low	137 Å²	137	146.5 Å²	146.5	73%	0.733	79%	0.786	S	S	*	*			trans	53.5	101.9	149.8	-59.3	-1.1	0	0	0	121.2
787	S	29.5	Very low	27.3	Very low	128 Å²	128	144.7 Å²	144.7	90%	0.895	78%	0.781	S	S	*	*				-159.3	108.3	120.3	-80.7	0	0	0	0	108.8
788	E	26.5	Very low	26.9	Very low	190 Å²	190	143.5 Å²	143.5	89%	0.888	78%	0.784	S	S	*	*			trans	-95.9	128.2	178.7	-63.5	-172.6	141.5	0	0	110.1
789	M	29.9	Very low	26.5	Very low	186 Å²	186	146.2 Å²	146.2	92%	0.916	79%	0.788	S	S	*	*			trans	-115.2	120.2	165.4	-158.1	175.8	79.4	0	0	108.1	R791	M789-R791 PolarHBondContact O-N 3.39Å
790	I	26.3	Very low	26.2	Very low	170 Å²	170	144.8 Å²	144.8	87%	0.872	78%	0.78	S	S	*	*			trans	-68.5	128.6	-158	-64.4	168.3	0	0	0	111.8
791	R	23.4	Very low	26.2	Very low	224 Å²	224	147.1 Å²	147.1	85%	0.845	78%	0.777	S	S	*	*			trans	-132.2	140.9	169.9	-163.1	179.6	-145	-157.8	5	110.5	M789	M789-R791 PolarHBondContact O-N 3.39Å
792	S	25	Very low	26.2	Very low	89 Å²	89	142.4 Å²	142.4	62%	0.622	75%	0.749	S	S	*	*			trans	49.2	91.5	161.8	55.8	0	0	0	0	117.6
793	Q	23.8	Very low	25.9	Very low	203 Å²	203	143.3 Å²	143.3	95%	0.949	75%	0.746	S	S	*	*			trans	-92.5	79	137	-73.4	-169.8	3.5	0	0	109
794	F	24.7	Very low	25.9	Very low	200 Å²	200	135.6 Å²	135.6	88%	0.877	71%	0.71	S	S	*	*			trans	-87.5	97.7	153	-88.9	-82.1	0	0	0	106.4
795	G	23.5	Very low	26.2	Very low	55 Å²	55	127.9 Å²	127.9	57%	0.567	68%	0.678	S	S	*	*			trans	-61.2	151.3	164.8	0	0	0	0	0	109.8	A797	G795-A797 PolarHBondContact O-N 2.73Å
796	P	25.4	Very low	26	Very low	132 Å²	132	123.2 Å²	123.2	86%	0.857	65%	0.65	S	S	*	*			trans	-65.1	101.2	176.6	27.6	-33.3	0	0	0	109	V798	P796-V798 PolarHBondContact O-N 3.21Å; P796-V798 VanDerWaalsContact O-N 3.13Å
797	A	24	Very low	26.2	Very low	73 Å²	73	117.9 Å²	117.9	60%	0.603	62%	0.622	S	S	*	*			trans	-61.4	117.5	172.8	0	0	0	0	0	108.2	G795 F799	G795-A797 PolarHBondContact O-N 2.73Å; A797-F799 WeakPolarHBondContact O-CD2 3.35Å; A797-F799 PolarHBondContact O-N 2.69Å
798	V	23.8	Very low	26.1	Very low	141 Å²	141	114.5 Å²	114.5	86%	0.855	60%	0.597	S	S	*	*			trans	-62.4	102.8	170	177.4	0	0	0	0	106.6	P796 N800	P796-V798 PolarHBondContact O-N 3.21Å; P796-V798 VanDerWaalsContact O-N 3.13Å; V798-N800 PolarHBondContact O-N 3.16Å
799	F	22.6	Very low	26.1	Very low	159 Å²	159	111 Å²	111	70%	0.697	59%	0.59	S	S	*	*			trans	-67.4	97	-175.6	-100.8	-89.7	0	0	0	109.5	A797 Y801	A797-F799 WeakPolarHBondContact O-CD2 3.35Å; A797-F799 PolarHBondContact O-N 2.69Å; F799-Y801 VanDerWaalsContact O-CD2 3.23Å; F799-Y801 WeakPolarHBondContact O-CD2 3.38Å; F799-Y801 PolarHBondContact O-N 2.74Å
800	N	22.9	Very low	26.2	Very low	101 Å²	101	105.2 Å²	105.2	54%	0.54	56%	0.562	S	S	.	*			trans	-73.3	101	179.6	-147.3	-10.9	0	0	0	108.2	V798 S802 M803	V798-N800 PolarHBondContact O-N 3.16Å; N800-S802 PolarHBondContact O-N 3.1Å; N800-M803 PolarHBondContact O-N 2.77Å
801	Y	26.9	Very low	26.4	Very low	173 Å²	173	98.4 Å²	98.4	68%	0.678	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-61.4	-7.6	-171.1	-71.1	-87.1	0	0	0	114.4	F799 M803 L804	F799-Y801 VanDerWaalsContact O-CD2 3.23Å; F799-Y801 WeakPolarHBondContact O-CD2 3.38Å; F799-Y801 PolarHBondContact O-N 2.74Å; Y801-M803 VanDerWaalsContact C-N 3.31Å; Y801-M803 PolarHBondContact O-N 3.22Å; Y801-L804 HydrophobicContact CD1-CD1 4.19Å; Y801-L804 PolarHBondContact O-N 2.9Å
802	S	26.4	Very low	26.9	Very low	29 Å²	29	91.8 Å²	91.8	20%	0.203	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-63.3	-25	176.6	53.8	0	0	0	0	115	N800 L804	N800-S802 PolarHBondContact O-N 3.1Å; S802-L804 VanDerWaalsContact C-N 3.31Å; S802-L804 PolarHBondContact O-N 3.29Å
803	M	26.5	Very low	27.5	Very low	129 Å²	129	88.6 Å²	88.6	64%	0.635	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-78.2	-8.6	177.6	-83	-167.4	166.5	0	0	114.6	P252 N800 Y801 G806	P252-M803 HydrophobicContact CB-CE 4.38Å; P252-M803 HydrophobicContact CG-CE 4.28Å; N800-M803 PolarHBondContact O-N 2.77Å; Y801-M803 VanDerWaalsContact C-N 3.31Å; Y801-M803 PolarHBondContact O-N 3.22Å; M803-G806 PolarHBondContact O-N 3.31Å
804	L	30.2	Very low	28.1	Very low	32 Å²	32	81.1 Å²	81.1	17%	0.168	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-89.9	3.1	-168.4	-89.6	150.5	0	0	0	116.4	Y138 I141 Y801 S802	Y138-L804 HydrophobicContact CD2-CD2 4.49Å; Y138-L804 WeakPolarHBondContact CE2-O 3.27Å; Y138-L804 PolarHBondContact OH-O 3.2Å; I141-L804 HydrophobicContact CD1-CD1 4.47Å; I141-L804 HydrophobicContact CD1-CD2 3.85Å; I141-L804 HydrophobicContact CG2-CD1 4.09Å; I141-L804 HydrophobicContact CG2-CD2 4.18Å; Y801-L804 HydrophobicContact CD1-CD1 4.19Å; Y801-L804 PolarHBondContact O-N 2.9Å; S802-L804 VanDerWaalsContact C-N 3.31Å; S802-L804 PolarHBondContact O-N 3.29Å
805	D	32.3	Very low	28.7	Very low	28 Å²	28	71.9 Å²	71.9	15%	0.15	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-111.4	1	160.4	-103.5	42.1	0	0	0	112.4	Q46 K53 R145 Y259	Q46-D805 VanDerWaalsContact NE2-CG 3.34Å; Q46-D805 PolarHBondContact NE2-OD2 2.73Å; K53-D805 IonicContact NZ-OD2 2.7Å; K53-D805 PolarHBondContact NZ-OD2 3.25Å; R145-D805 IonicContact CZ-OD1 2.76Å; R145-D805 IonicContact NH1-OD1 3.12Å; R145-D805 PolarHBondContact NH1-OD1 3.02Å; R145-D805 IonicContact NH2-OD1 2.69Å; R145-D805 PolarHBondContact NH2-OD1 2.75Å; R145-D805 IonicContact NH2-OD2 3.38Å; R145-D805 PolarHBondContact NH2-OD2 2.91Å; Y259-D805 WeakPolarHBondContact OH-CB 3.16Å; Y259-D805 PolarHBondContact OH-O 2.87Å
806	G	27	Very low	29.3	Very low	9 Å²	9	70.1 Å²	70.1	9%	0.093	39%	0.392	C	S	.	.	S	Bend	trans	-84.8	153.6	163.5	0	0	0	0	0	110.9	M803 T808	M803-G806 PolarHBondContact O-N 3.31Å; G806-T808 PolarHBondContact O-N 3.41Å
807	P	29.2	Very low	29.7	Very low	24 Å²	24	64 Å²	64	16%	0.156	35%	0.353	C	S	.	.			trans	-72	113.7	174	30.4	-27.2	0	0	0	109.2	L246 W250 L814	L246-P807 HydrophobicContact CD1-CB 4.42Å; L246-P807 HydrophobicContact CD1-CG 3.72Å; L246-P807 HydrophobicContact CG-CG 4.23Å; W250-P807 VanDerWaalsContact CB-CD 3.46Å; W250-P807 HydrophobicContact CB-CG 4.16Å; W250-P807 HydrophobicContact CE3-CG 4.18Å; P807-L814 HydrophobicContact CB-CD1 3.27Å
808	T	27.6	Very low	30.3	Very low	58 Å²	58	61.7 Å²	61.7	36%	0.356	33%	0.332	S	S	.	.			trans	-55.8	159.4	166.6	55.2	0	0	0	0	110.2	G806 I810	G806-T808 PolarHBondContact O-N 3.41Å; T808-I810 PolarHBondContact O-N 3.35Å
809	P	27.7	Very low	30.7	Very low	117 Å²	117	55.2 Å²	55.2	76%	0.76	29%	0.293	S	S	*	.	S	Bend	trans	-65.6	16.9	-166.9	23.6	-34.6	0	0	0	117.3	T811	P809-T811 PolarHBondContact O-N 2.81Å
810	I	30.4	Very low	31.3	Very low	64 Å²	64	48 Å²	48	33%	0.328	26%	0.262	S	S	.	.			trans	-84.6	42.5	165.7	-38.1	-177.9	0	0	0	110	V134 T808 M812 S813	V134-I810 HydrophobicContact CB-CD1 4.02Å; V134-I810 HydrophobicContact CG1-CD1 3.72Å; V134-I810 HydrophobicContact CG2-CD1 3.84Å; T808-I810 PolarHBondContact O-N 3.35Å; I810-M812 PolarHBondContact O-N 3.15Å; I810-S813 PolarHBondContact O-N 2.87Å; I810-S813 PolarHBondContact O-OG 2.83Å
811	T	31.6	Very low	31.8	Very low	26 Å²	26	46.8 Å²	46.8	16%	0.16	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-25.4	179.9	46.5	0	0	0	0	113	L246 P809 L814	L246-T811 HydrophobicContact CD1-CG2 3.92Å; L246-T811 HydrophobicContact CD2-CG2 4.41Å; P809-T811 PolarHBondContact O-N 2.81Å; T811-L814 PolarHBondContact O-N 2.7Å
812	M	33.2	Very low	32	Very low	85 Å²	85	39.1 Å²	39.1	42%	0.419	22%	0.224	S	C	.	.	H	α-helix	trans	-68.8	-32.5	179	-68.7	-160.6	-69.7	0	0	114.6	I289 M293 I810	I289-M812 HydrophobicContact CG2-CG 3.53Å; I289-M812 HydrophobicContact CG2-SD 3.85Å; M293-M812 HydrophobicContact CE-CB 4.07Å; M293-M812 HydrophobicContact CG-CB 3.69Å; M293-M812 HydrophobicContact CG-CG 3.65Å; M293-M812 HydrophobicContact CG-SD 3.66Å; M293-M812 HydrophobicContact SD-CB 3.9Å; M293-M812 HydrophobicContact SD-CG 4.18Å; M293-M812 HydrophobicContact SD-SD 3.74Å; I810-M812 PolarHBondContact O-N 3.15Å
813	S	38.2	Very low	32.1	Very low	22 Å²	22	38.4 Å²	38.4	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-81	-23.6	173.4	72.8	0	0	0	0	112.3	I810 M815 A816 A817	I810-S813 PolarHBondContact O-N 2.87Å; I810-S813 PolarHBondContact O-OG 2.83Å; S813-M815 VanDerWaalsContact C-N 3.33Å; S813-M815 PolarHBondContact O-N 2.93Å; S813-A816 PolarHBondContact O-N 2.84Å; S813-A816 VanDerWaalsContact O-N 3.1Å; S813-A817 PolarHBondContact O-N 3.05Å
814	L	36.7	Very low	32.3	Very low	46 Å²	46	33.2 Å²	33.2	24%	0.241	20%	0.195	C	C	.	.	H	α-helix	trans	-69.3	-25.9	-172.3	-103.9	158.5	0	0	0	114.4	P807 T811 A817 S818	P807-L814 HydrophobicContact CB-CD1 3.27Å; T811-L814 PolarHBondContact O-N 2.7Å; L814-A817 HydrophobicContact CD2-CB 4.49Å; L814-A817 PolarHBondContact O-N 3.44Å; L814-S818 WeakPolarHBondContact O-CB 3.38Å; L814-S818 PolarHBondContact O-N 3.45Å; L814-S818 PolarHBondContact O-OG 3.44Å
815	M	37	Very low	32.3	Very low	7 Å²	7	35.6 Å²	35.6	3%	0.034	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-47.5	168.1	-86.1	-86.2	-148	0	0	111.6	N290 I297 S813 S818 A819	N290-M815 HydrophobicContact CB-CE 3.66Å; N290-M815 WeakPolarHBondContact OD1-CE 3.42Å; I297-M815 HydrophobicContact CB-CB 4.36Å; I297-M815 HydrophobicContact CD1-CB 3.22Å; I297-M815 HydrophobicContact CD1-CG 3.56Å; I297-M815 HydrophobicContact CD1-SD 4.2Å; I297-M815 HydrophobicContact CG1-CB 3.54Å; I297-M815 HydrophobicContact CG1-CG 4.41Å; I297-M815 HydrophobicContact CG2-CB 3.85Å; S813-M815 VanDerWaalsContact C-N 3.33Å; S813-M815 PolarHBondContact O-N 2.93Å; M815-S818 PolarHBondContact O-N 3.42Å; M815-S818 PolarHBondContact O-OG 3.39Å; M815-A819 PolarHBondContact O-N 3.26Å
816	A	34.7	Very low	32.1	Very low	18 Å²	18	36.5 Å²	36.5	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-34.7	177.5	0	0	0	0	0	112.4	A300 S813 S818 A819 L820	A300-A816 HydrophobicContact CB-CB 4.36Å; S813-A816 PolarHBondContact O-N 2.84Å; S813-A816 VanDerWaalsContact O-N 3.1Å; A816-S818 VanDerWaalsContact C-N 3.32Å; A816-A819 WeakPolarHBondContact O-CB 3.28Å; A816-A819 PolarHBondContact O-N 2.7Å; A816-L820 PolarHBondContact O-N 3.4Å
817	A	34.9	Very low	32	Very low	4 Å²	4	38.6 Å²	38.6	3%	0.033	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-32.2	169.8	0	0	0	0	0	112.5	W70 S813 L814 L820 H821	W70-A817 HydrophobicContact CH2-CB 4.2Å; W70-A817 HydrophobicContact CZ2-CB 3.78Å; S813-A817 PolarHBondContact O-N 3.05Å; L814-A817 HydrophobicContact CD2-CB 4.49Å; L814-A817 PolarHBondContact O-N 3.44Å; A817-L820 PolarHBondContact O-N 2.95Å; A817-H821 WeakPolarHBondContact O-CB 3.49Å; A817-H821 PolarHBondContact O-N 3.4Å
818	S	36.2	Very low	31.8	Very low	24 Å²	24	41.3 Å²	41.3	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-75.1	-31	176	78.2	0	0	0	0	113.2	L814 M815 A816 H821 S822	L814-S818 WeakPolarHBondContact O-CB 3.38Å; L814-S818 PolarHBondContact O-N 3.45Å; L814-S818 PolarHBondContact O-OG 3.44Å; M815-S818 PolarHBondContact O-N 3.42Å; M815-S818 PolarHBondContact O-OG 3.39Å; A816-S818 VanDerWaalsContact C-N 3.32Å; S818-H821 PolarHBondContact O-N 2.68Å; S818-S822 VanDerWaalsContact O-CB 3.29Å; S818-S822 WeakPolarHBondContact O-CB 3.32Å; S818-S822 PolarHBondContact O-N 3.09Å; S818-S822 PolarHBondContact O-OG 2.95Å
819	A	33.5	Very low	31.8	Very low	4 Å²	4	44 Å²	44	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-56.4	-54.2	166.9	0	0	0	0	0	110	Q301 M815 A816 H821 S822 A823	Q301-A819 HydrophobicContact CB-CB 3.86Å; Q301-A819 HydrophobicContact CG-CB 4.23Å; Q301-A819 VanDerWaalsContact OE1-CB 3.28Å; M815-A819 PolarHBondContact O-N 3.26Å; A816-A819 WeakPolarHBondContact O-CB 3.28Å; A816-A819 PolarHBondContact O-N 2.7Å; A819-H821 PolarHBondContact O-N 3.38Å; A819-S822 PolarHBondContact O-N 2.87Å; A819-S822 PolarHBondContact O-OG 3.39Å; A819-A823 PolarHBondContact O-N 3.13Å
820	L	33.9	Very low	32	Very low	8 Å²	8	43.1 Å²	43.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-43.3	172.7	-84	155.9	0	0	0	113.5	K73 F74 V77 T304 A816 A817 S822 A823 D824	K73-L820 HydrophobicContact CB-CD2 4.26Å; F74-L820 HydrophobicContact CB-CD1 4.18Å; F74-L820 HydrophobicContact CD2-CD1 3.66Å; F74-L820 HydrophobicContact CG-CD1 4.37Å; V77-L820 HydrophobicContact CG2-CD2 4.41Å; T304-L820 HydrophobicContact CG2-CD2 3.67Å; T304-L820 HydrophobicContact CG2-CG 4.07Å; A816-L820 PolarHBondContact O-N 3.4Å; A817-L820 PolarHBondContact O-N 2.95Å; L820-S822 PolarHBondContact O-N 3.12Å; L820-A823 PolarHBondContact O-N 3.4Å; L820-D824 PolarHBondContact O-N 3.25Å
821	H	34.8	Very low	32.4	Very low	76 Å²	76	43.8 Å²	43.8	35%	0.352	25%	0.248	S	C	.	.	H	α-helix	trans	-69.9	-28.7	177.5	-104.1	-47.2	0	0	0	113.8	A817 S818 A819 N825	A817-H821 WeakPolarHBondContact O-CB 3.49Å; A817-H821 PolarHBondContact O-N 3.4Å; S818-H821 PolarHBondContact O-N 2.68Å; A819-H821 PolarHBondContact O-N 3.38Å; H821-N825 VanDerWaalsContact O-CB 3.32Å; H821-N825 WeakPolarHBondContact O-CB 3.28Å; H821-N825 PolarHBondContact O-N 2.76Å
822	S	30.5	Very low	32.9	Very low	11 Å²	11	45.4 Å²	45.4	8%	0.077	25%	0.254	C	S	.	.	H	α-helix	trans	-72	-38.1	173.3	74.6	0	0	0	0	111.4	S818 A819 L820 N825 M826	S818-S822 VanDerWaalsContact O-CB 3.29Å; S818-S822 WeakPolarHBondContact O-CB 3.32Å; S818-S822 PolarHBondContact O-N 3.09Å; S818-S822 PolarHBondContact O-OG 2.95Å; A819-S822 PolarHBondContact O-N 2.87Å; A819-S822 PolarHBondContact O-OG 3.39Å; L820-S822 PolarHBondContact O-N 3.12Å; S822-N825 PolarHBondContact O-N 3.33Å; S822-M826 WeakPolarHBondContact O-CB 3.27Å; S822-M826 WeakPolarHBondContact O-CG 3.5Å; S822-M826 PolarHBondContact O-N 3.18Å; S822-M826 VanDerWaalsContact O-N 3.11Å
823	A	28.5	Very low	33	Very low	14 Å²	14	41.6 Å²	41.6	12%	0.116	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-44.3	172.6	0	0	0	0	0	111.2	T304 A308 A819 L820 M826 G827	T304-A823 HydrophobicContact CG2-CB 3.82Å; A308-A823 HydrophobicContact CB-CB 4.39Å; A819-A823 PolarHBondContact O-N 3.13Å; L820-A823 PolarHBondContact O-N 3.4Å; A823-M826 CarbonylContact O-C 3.47Å; A823-M826 WeakPolarHBondContact O-CA 3.21Å; A823-M826 WeakPolarHBondContact O-CB 3.14Å; A823-M826 PolarHBondContact O-N 3.44Å; A823-M826 VanDerWaalsContact O-N 3.08Å; A823-G827 PolarHBondContact O-N 3.07Å; A823-G827 VanDerWaalsContact O-N 3.09Å
824	D	30.1	Very low	33	Very low	20 Å²	20	46.6 Å²	46.6	11%	0.107	25%	0.252	C	S	.	.	H	α-helix	trans	-68.7	-36.8	175.7	-85.3	1.5	0	0	0	112.5	K73 L820 M826 G827 L828	K73-D824 IonicContact NZ-OD1 2.74Å; K73-D824 PolarHBondContact NZ-OD1 3.09Å; K73-D824 IonicContact NZ-OD2 3.94Å; K73-D824 PolarHBondContact NZ-OD2 3.45Å; L820-D824 PolarHBondContact O-N 3.25Å; D824-M826 PolarHBondContact O-N 3.04Å; D824-M826 VanDerWaalsContact O-N 3.17Å; D824-G827 PolarHBondContact O-N 2.87Å; D824-G827 VanDerWaalsContact O-N 3.11Å; D824-L828 HydrophobicContact CB-CD1 4.09Å; D824-L828 HydrophobicContact CB-CG 4.49Å; D824-L828 WeakPolarHBondContact O-CB 3.39Å; D824-L828 PolarHBondContact O-N 2.8Å
825	N	29.8	Very low	33.3	Very low	82 Å²	82	45 Å²	45	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8	169.5	-80.6	-12.8	0	0	0	114.1	H821 S822	H821-N825 VanDerWaalsContact O-CB 3.32Å; H821-N825 WeakPolarHBondContact O-CB 3.28Å; H821-N825 PolarHBondContact O-N 2.76Å; S822-N825 PolarHBondContact O-N 3.33Å
826	M	28.4	Very low	33.3	Very low	47 Å²	47	47.1 Å²	47.1	23%	0.232	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-1.2	174	-78.1	-83.7	-66.7	0	0	112.8	R324 L469 S822 A823 D824	R324-M826 PolarHBondContact NH1-SD 3.26Å; L469-M826 HydrophobicContact CD2-CE 3.96Å; S822-M826 WeakPolarHBondContact O-CB 3.27Å; S822-M826 WeakPolarHBondContact O-CG 3.5Å; S822-M826 PolarHBondContact O-N 3.18Å; S822-M826 VanDerWaalsContact O-N 3.11Å; A823-M826 CarbonylContact O-C 3.47Å; A823-M826 WeakPolarHBondContact O-CA 3.21Å; A823-M826 WeakPolarHBondContact O-CB 3.14Å; A823-M826 PolarHBondContact O-N 3.44Å; A823-M826 VanDerWaalsContact O-N 3.08Å; D824-M826 PolarHBondContact O-N 3.04Å; D824-M826 VanDerWaalsContact O-N 3.17Å
827	G	25.2	Very low	33.5	Very low	54 Å²	54	49.8 Å²	49.8	56%	0.557	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	-30.9	-173.8	0	0	0	0	0	115.2	A823 D824	A823-G827 PolarHBondContact O-N 3.07Å; A823-G827 VanDerWaalsContact O-N 3.09Å; D824-G827 PolarHBondContact O-N 2.87Å; D824-G827 VanDerWaalsContact O-N 3.11Å
828	L	25.3	Very low	33.9	Very low	80 Å²	80	52.5 Å²	52.5	42%	0.419	28%	0.282	S	S	.	.	S	Bend	trans	-77.6	124.8	169.6	-71.2	169.4	0	0	0	109.3	T66 D824 F830	T66-L828 HydrophobicContact CG2-CD1 4.29Å; D824-L828 HydrophobicContact CB-CD1 4.09Å; D824-L828 HydrophobicContact CB-CG 4.49Å; D824-L828 WeakPolarHBondContact O-CB 3.39Å; D824-L828 PolarHBondContact O-N 2.8Å; L828-F830 PolarHBondContact O-N 3.49Å
829	P	28.2	Very low	33.9	Very low	115 Å²	115	56.7 Å²	56.7	75%	0.747	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-62.6	123	152	28.8	-30	0	0	0	106.9	Y831	P829-Y831 PolarHBondContact O-N 3.49Å
830	F	31.2	Very low	34.1	Very low	98 Å²	98	60.8 Å²	60.8	43%	0.43	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-56.2	126.4	155.3	-96.3	-86	0	0	0	106.7	L828 Q832	L828-F830 PolarHBondContact O-N 3.49Å; F830-Q832 VanDerWaalsContact C-N 3.32Å; F830-Q832 PolarHBondContact O-N 2.99Å
831	Y	38.8	Very low	34.1	Very low	78 Å²	78	61.8 Å²	61.8	31%	0.306	33%	0.332	S	S	.	.			trans	-60.4	99.5	169.9	175.7	-88.8	0	0	0	107	D163 A167 P829 P833	D163-Y831 PolarHBondContact O-OH 3.38Å; A167-Y831 WeakPolarHBondContact CA-OH 3.23Å; A167-Y831 WeakPolarHBondContact CB-OH 3.48Å; A167-Y831 PolarHBondContact N-OH 2.57Å; P829-Y831 PolarHBondContact O-N 3.49Å; Y831-P833 HydrophobicContact CE1-CB 4.45Å; Y831-P833 VanDerWaalsContact O-CD 3.26Å; Y831-P833 WeakPolarHBondContact O-CD 3.43Å
832	Q	41.9	Very low	33.9	Very low	60 Å²	60	63.3 Å²	63.3	28%	0.28	34%	0.343	S	S	.	.			trans	-79	114.9	169.1	-70.7	-164.4	-110.9	0	0	106.4	T345 F830	T345-Q832 PolarHBondContact OG1-NE2 2.97Å; F830-Q832 VanDerWaalsContact C-N 3.32Å; F830-Q832 PolarHBondContact O-N 2.99Å
833	P	36.4	Very low	34	Very low	5 Å²	5	66 Å²	66	3%	0.032	36%	0.361	C	S	.	.			trans	-58.5	158.1	165.5	27.5	-34.2	0	0	0	109.2	A167 Y831 N835	A167-P833 CarbonylContact O-C 3.59Å; A167-P833 WeakPolarHBondContact O-CB 3.47Å; Y831-P833 HydrophobicContact CE1-CB 4.45Å; Y831-P833 VanDerWaalsContact O-CD 3.26Å; Y831-P833 WeakPolarHBondContact O-CD 3.43Å; P833-N835 PolarHBondContact O-N 2.9Å
834	Y	37	Very low	34.3	Very low	127 Å²	127	67.9 Å²	67.9	50%	0.498	37%	0.368	S	S	.	.			trans	-64.6	99.1	-173.5	-172.4	-91.8	0	0	0	110.4	A167 S836 E839	A167-Y834 PolarHBondContact O-N 3.41Å; Y834-S836 PolarHBondContact O-N 3.33Å; Y834-E839 PolarHBondContact OH-OE1 3.44Å; Y834-E839 PolarHBondContact OH-OE2 3.11Å
835	N	42.2	Very low	34.5	Very low	13 Å²	13	71 Å²	71	7%	0.07	38%	0.381	C	S	.	.			trans	-90.4	94.3	-173.7	-153.6	48	0	0	0	109.1	P833 Q837 I838	P833-N835 PolarHBondContact O-N 2.9Å; N835-Q837 PolarHBondContact ND2-OE1 3.28Å; N835-Q837 PolarHBondContact O-N 3.49Å; N835-I838 HydrophobicContact CB-CD1 4.02Å; N835-I838 HydrophobicContact CB-CG1 4.32Å; N835-I838 VanDerWaalsContact O-CB 3.31Å; N835-I838 WeakPolarHBondContact O-CB 3.5Å; N835-I838 WeakPolarHBondContact O-CG1 3.23Å; N835-I838 PolarHBondContact O-N 3.42Å
836	S	38.1	Very low	34.5	Very low	52 Å²	52	72.2 Å²	72.2	36%	0.364	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.9	-175.4	52.7	0	0	0	0	114.4	Y834 I838 E839	Y834-S836 PolarHBondContact O-N 3.33Å; S836-I838 PolarHBondContact O-N 3.06Å; S836-E839 PolarHBondContact O-N 3.3Å
837	Q	38.9	Very low	34.5	Very low	73 Å²	73	71.4 Å²	71.4	34%	0.341	40%	0.396	S	S	.	.	H	α-helix	trans	-52.4	-18.5	171.3	-65.5	175	-22	0	0	114.4	N835 G841	N835-Q837 PolarHBondContact ND2-OE1 3.28Å; N835-Q837 PolarHBondContact O-N 3.49Å; Q837-G841 PolarHBondContact O-N 3.34Å
838	I	42.6	Very low	34.8	Very low	61 Å²	61	72 Å²	72	31%	0.313	38%	0.383	S	S	.	.	H	α-helix	trans	-73.3	-35.1	174.7	-65	172	0	0	0	111.4	T345 N835 S836 G841 L842	T345-I838 HydrophobicContact CG2-CD1 3.8Å; T345-I838 HydrophobicContact CG2-CG1 3.64Å; N835-I838 HydrophobicContact CB-CD1 4.02Å; N835-I838 HydrophobicContact CB-CG1 4.32Å; N835-I838 VanDerWaalsContact O-CB 3.31Å; N835-I838 WeakPolarHBondContact O-CB 3.5Å; N835-I838 WeakPolarHBondContact O-CG1 3.23Å; N835-I838 PolarHBondContact O-N 3.42Å; S836-I838 PolarHBondContact O-N 3.06Å; I838-G841 PolarHBondContact O-N 3.14Å; I838-L842 HydrophobicContact CG2-CD1 4.48Å; I838-L842 PolarHBondContact O-N 3.28Å
839	E	37.3	Very low	35.1	Very low	113 Å²	113	73.1 Å²	73.1	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-72.2	-40.2	178.6	-65.1	-164.6	102.2	0	0	111.5	Y834 S836 G841 L842 S843	Y834-E839 PolarHBondContact OH-OE1 3.44Å; Y834-E839 PolarHBondContact OH-OE2 3.11Å; S836-E839 PolarHBondContact O-N 3.3Å; E839-G841 VanDerWaalsContact C-N 3.35Å; E839-G841 PolarHBondContact O-N 3.1Å; E839-L842 PolarHBondContact O-N 2.63Å; E839-S843 VanDerWaalsContact O-CB 3.23Å; E839-S843 WeakPolarHBondContact O-CB 3.42Å; E839-S843 PolarHBondContact O-N 3.32Å; E839-S843 PolarHBondContact O-OG 3.13Å
840	D	36.3	Very low	35.1	Very low	89 Å²	89	73.5 Å²	73.5	48%	0.476	39%	0.385	S	S	.	.	H	α-helix	trans	-56.8	-49.2	169.9	-69.1	-48.8	0	0	0	110.8	L842 S843 Q844	D840-L842 PolarHBondContact O-N 3.31Å; D840-S843 PolarHBondContact O-N 3.22Å; D840-S843 PolarHBondContact O-OG 2.9Å; D840-Q844 WeakPolarHBondContact O-CB 3.49Å; D840-Q844 WeakPolarHBondContact O-CG 3.32Å; D840-Q844 PolarHBondContact O-N 3.37Å
841	G	34.9	Very low	35.1	Very low	29 Å²	29	72.6 Å²	72.6	30%	0.299	39%	0.391	S	S	.	.	H	α-helix	trans	-67.2	-26.9	-179.3	0	0	0	0	0	115.2	Q837 I838 E839	Q837-G841 PolarHBondContact O-N 3.34Å; I838-G841 PolarHBondContact O-N 3.14Å; E839-G841 VanDerWaalsContact C-N 3.35Å; E839-G841 PolarHBondContact O-N 3.1Å
842	L	30.8	Very low	34.7	Very low	109 Å²	109	73.9 Å²	73.9	57%	0.571	40%	0.403	S	S	*	.	H	α-helix	trans	-85.3	-41.3	174.2	-111.1	75.4	0	0	0	112.6	I838 E839 D840 H845 T846	I838-L842 HydrophobicContact CG2-CD1 4.48Å; I838-L842 PolarHBondContact O-N 3.28Å; E839-L842 PolarHBondContact O-N 2.63Å; D840-L842 PolarHBondContact O-N 3.31Å; L842-H845 PolarHBondContact O-N 2.91Å; L842-T846 PolarHBondContact O-N 3.23Å; L842-T846 PolarHBondContact O-OG1 2.86Å
843	S	31.7	Very low	34.1	Very low	66 Å²	66	75.8 Å²	75.8	46%	0.462	42%	0.418	S	S	.	.	H	α-helix	trans	-70.9	-37	-177.1	60.7	0	0	0	0	112.6	E839 D840 H845 T846 G847	E839-S843 VanDerWaalsContact O-CB 3.23Å; E839-S843 WeakPolarHBondContact O-CB 3.42Å; E839-S843 PolarHBondContact O-N 3.32Å; E839-S843 PolarHBondContact O-OG 3.13Å; D840-S843 PolarHBondContact O-N 3.22Å; D840-S843 PolarHBondContact O-OG 2.9Å; S843-H845 VanDerWaalsContact C-N 3.32Å; S843-H845 PolarHBondContact O-N 3.33Å; S843-T846 PolarHBondContact O-N 2.97Å; S843-T846 PolarHBondContact O-OG1 3.17Å; S843-G847 PolarHBondContact O-N 3.1Å
844	Q	36.2	Very low	33.6	Very low	55 Å²	55	78.2 Å²	78.2	26%	0.257	45%	0.445	S	S	.	.	H	α-helix	trans	-65	-38.2	173.6	-68.5	173.4	33.4	0	0	111.4	D840 T846 G847 F848	D840-Q844 WeakPolarHBondContact O-CB 3.49Å; D840-Q844 WeakPolarHBondContact O-CG 3.32Å; D840-Q844 PolarHBondContact O-N 3.37Å; Q844-T846 VanDerWaalsContact C-N 3.26Å; Q844-T846 PolarHBondContact O-N 2.74Å; Q844-G847 PolarHBondContact O-N 3.41Å; Q844-F848 PolarHBondContact O-N 3.46Å; Q844-F848 VanDerWaalsContact O-N 3.14Å
845	H	32.9	Very low	33.3	Very low	84 Å²	84	78.4 Å²	78.4	39%	0.389	46%	0.464	S	S	.	.	H	α-helix	trans	-66.9	-22	-177.6	-124	-37.9	0	0	0	114.2	R437 L842 S843	R437-H845 PolarHBondContact NH2-CD2 2.93Å; R437-H845 VanDerWaalsContact NH2-CD2 3.33Å; R437-H845 PolarHBondContact NH2-NE2 3.32Å; L842-H845 PolarHBondContact O-N 2.91Å; S843-H845 VanDerWaalsContact C-N 3.32Å; S843-H845 PolarHBondContact O-N 3.33Å
846	T	30.3	Very low	32.6	Very low	108 Å²	108	84.4 Å²	84.4	66%	0.663	50%	0.501	S	S	*	.	H	α-helix	trans	-103.2	-26.5	172	52	0	0	0	0	113	L842 S843 Q844	L842-T846 PolarHBondContact O-N 3.23Å; L842-T846 PolarHBondContact O-OG1 2.86Å; S843-T846 PolarHBondContact O-N 2.97Å; S843-T846 PolarHBondContact O-OG1 3.17Å; Q844-T846 VanDerWaalsContact C-N 3.26Å; Q844-T846 PolarHBondContact O-N 2.74Å
847	G	28.5	Very low	32.2	Very low	30 Å²	30	85.6 Å²	85.6	31%	0.309	52%	0.522	S	S	.	.	H	α-helix	trans	-71.3	-31.6	179.3	0	0	0	0	0	114.7	S843 Q844 N849 N850 S851	S843-G847 PolarHBondContact O-N 3.1Å; Q844-G847 PolarHBondContact O-N 3.41Å; G847-N849 PolarHBondContact O-N 3.06Å; G847-N850 PolarHBondContact O-N 3.26Å; G847-S851 PolarHBondContact O-N 3.06Å
848	F	32.2	Very low	31.7	Very low	66 Å²	66	86.3 Å²	86.3	29%	0.289	55%	0.548	S	S	.	.	H	α-helix	trans	-64	-31.8	-170.8	-109.2	-77.3	0	0	0	115.6	Y668 Q844 N850 S851 V866	Y668-F848 HydrophobicContact CE1-CE1 4.26Å; Q844-F848 PolarHBondContact O-N 3.46Å; Q844-F848 VanDerWaalsContact O-N 3.14Å; F848-N850 VanDerWaalsContact C-N 3.27Å; F848-N850 PolarHBondContact O-N 3.03Å; F848-S851 PolarHBondContact O-OG 3.27Å; F848-V866 HydrophobicContact CE1-CG1 3.96Å; F848-V866 HydrophobicContact CE1-CG2 4.33Å; F848-V866 HydrophobicContact CE2-CG1 4.39Å; F848-V866 HydrophobicContact CZ-CB 4.27Å; F848-V866 HydrophobicContact CZ-CG1 3.48Å; F848-V866 VanDerWaalsContact CZ-CG1 3.48Å; F848-V866 HydrophobicContact CZ-CG2 3.85Å
849	N	31	Very low	31	Very low	105 Å²	105	94.6 Å²	94.6	56%	0.561	58%	0.576	S	S	*	*	H	α-helix	trans	-72.6	-20.5	175.3	-83.8	29.2	0	0	0	113	Q671 G847	Q671-N849 PolarHBondContact OE1-ND2 3.4Å; G847-N849 PolarHBondContact O-N 3.06Å
850	N	27.8	Very low	30.6	Very low	123 Å²	123	100.5 Å²	100.5	66%	0.658	59%	0.593	S	S	*	*	H	α-helix	trans	-101.3	-23.2	-177.7	-69.5	-4.4	0	0	0	112.8	G847 F848 L852 V853	G847-N850 PolarHBondContact O-N 3.26Å; F848-N850 VanDerWaalsContact C-N 3.27Å; F848-N850 PolarHBondContact O-N 3.03Å; N850-L852 VanDerWaalsContact C-N 3.33Å; N850-L852 PolarHBondContact O-N 2.69Å; N850-V853 PolarHBondContact O-N 3.25Å
851	S	30.7	Very low	30.4	Very low	79 Å²	79	102 Å²	102	55%	0.552	61%	0.609	S	S	*	*	H	α-helix	trans	-73	-19.1	-176.2	62.2	0	0	0	0	114.5	G847 F848	G847-S851 PolarHBondContact O-N 3.06Å; F848-S851 PolarHBondContact O-OG 3.27Å
852	L	31.6	Very low	30.3	Very low	104 Å²	104	104 Å²	104	55%	0.545	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.8	-16.7	171	-88.3	88.9	0	0	0	113.9	N850	N850-L852 VanDerWaalsContact C-N 3.33Å; N850-L852 PolarHBondContact O-N 2.69Å
853	V	29.1	Very low	30.6	Very low	100 Å²	100	102.3 Å²	102.3	61%	0.606	61%	0.61	S	S	*	*	S	Bend	trans	-124.3	57.1	-173.4	-165.6	0	0	0	0	110.3	N850	N850-V853 PolarHBondContact O-N 3.25Å
854	G	26.6	Very low	30.8	Very low	57 Å²	57	101.7 Å²	101.7	59%	0.588	60%	0.604	S	S	*	*			trans	-152.8	65.5	-170.8	0	0	0	0	0	114.7	V856	G854-V856 VanDerWaalsContact C-N 3.31Å; G854-V856 PolarHBondContact O-N 2.91Å
855	S	29.2	Very low	31.1	Very low	130 Å²	130	103.2 Å²	103.2	91%	0.909	61%	0.613	S	S	*	*			trans	-75.8	72.2	178.6	177.7	0	0	0	0	113.3
856	V	28.6	Very low	31.6	Very low	139 Å²	139	100.4 Å²	100.4	84%	0.842	60%	0.602	S	S	*	*			trans	-135.7	113.2	168.7	-174.8	0	0	0	0	111.3	G854	G854-V856 VanDerWaalsContact C-N 3.31Å; G854-V856 PolarHBondContact O-N 2.91Å
857	G	29.2	Very low	32.5	Very low	78 Å²	78	96.1 Å²	96.1	80%	0.804	58%	0.575	S	S	*	*	S	Bend	trans	66	93.4	150.3	0	0	0	0	0	119.6
858	G	29.1	Very low	33.5	Very low	87 Å²	87	97.2 Å²	97.2	90%	0.897	58%	0.576	S	S	*	*	S	Bend		93.5	2.5	129	0	0	0	0	0	120.4
859	R	27.7	Very low	34.7	Very low	236 Å²	236	96.8 Å²	96.8	89%	0.891	58%	0.584	S	S	*	*			trans	-148.9	118.1	163.6	-126.7	173.6	-177.3	171.3	-0.2	112.5	C861	R859-C861 PolarHBondContact O-N 2.69Å
860	R	29.2	Very low	36.6	Very low	237 Å²	237	93.3 Å²	93.3	89%	0.894	57%	0.566	S	S	*	*			trans	-74.9	98.7	163.5	-85.1	-176.2	171.2	174.2	-3.1	108.3	T862	R860-T862 PolarHBondContact O-N 2.93Å
861	C	30.1	Very low	39.3	Very low	120 Å²	120	88.3 Å²	88.3	81%	0.811	54%	0.539	S	S	*	.			trans	-63	114.4	153.4	-66.4	0	0	0	0	106.5	R859	R859-C861 PolarHBondContact O-N 2.69Å
862	T	33.4	Very low	41.7	Very low	70 Å²	70	85.1 Å²	85.1	43%	0.429	52%	0.516	S	S	.	.			trans	-84.8	141.7	-176.2	31.9	0	0	0	0	109.4	R860 T864 D865	R860-T862 PolarHBondContact O-N 2.93Å; T862-T864 VanDerWaalsContact CB-OG1 3.29Å; T862-T864 WeakPolarHBondContact CB-OG1 3.42Å; T862-T864 PolarHBondContact O-N 2.96Å; T862-T864 PolarHBondContact O-OG1 3.32Å; T862-T864 PolarHBondContact OG1-OG1 2.92Å; T862-D865 PolarHBondContact O-N 3Å; T862-D865 VanDerWaalsContact O-N 3.16Å
863	V	37.8	Very low	43.9	Very low	74 Å²	74	81.2 Å²	81.2	45%	0.448	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-61.4	-15	-178.2	-175	0	0	0	0	111.9	L633 D865 V866	L633-V863 HydrophobicContact CD1-CG1 3.7Å; V863-D865 PolarHBondContact O-N 2.93Å; V863-D865 VanDerWaalsContact O-N 3.12Å; V863-V866 PolarHBondContact O-N 3.43Å
864	T	36.4	Very low	46.5	Very low	54 Å²	54	76.5 Å²	76.5	33%	0.331	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-46.6	-36	169.5	50.3	0	0	0	0	113.9	R626 T862	R626-T864 PolarHBondContact NE-O 3.31Å; R626-T864 PolarHBondContact NH2-O 2.73Å; T862-T864 VanDerWaalsContact CB-OG1 3.29Å; T862-T864 WeakPolarHBondContact CB-OG1 3.42Å; T862-T864 PolarHBondContact O-N 2.96Å; T862-T864 PolarHBondContact O-OG1 3.32Å; T862-T864 PolarHBondContact OG1-OG1 2.92Å
865	D	42.2	Very low	49.3	Very low	86 Å²	86	73.8 Å²	73.8	46%	0.46	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-93	-22.9	-166	-58.8	-5.3	0	0	0	112	T862 V863 L867 T868 A869	T862-D865 PolarHBondContact O-N 3Å; T862-D865 VanDerWaalsContact O-N 3.16Å; V863-D865 PolarHBondContact O-N 2.93Å; V863-D865 VanDerWaalsContact O-N 3.12Å; D865-L867 PolarHBondContact O-N 3.47Å; D865-T868 CarbonylContact O-C 3.6Å; D865-T868 VanDerWaalsContact O-C 3.3Å; D865-T868 WeakPolarHBondContact O-CA 3.48Å; D865-T868 PolarHBondContact O-N 2.96Å; D865-T868 PolarHBondContact O-OG1 3.09Å; D865-A869 WeakPolarHBondContact O-CB 3.38Å; D865-A869 PolarHBondContact O-N 3.32Å
866	V	43.4	Very low	51.8	Low	26 Å²	26	68.2 Å²	68.2	16%	0.158	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-61.1	-46.3	-172.6	179.2	0	0	0	0	112.2	Y668 F848 V863 T868 A869	Y668-V866 VanDerWaalsContact OH-CG1 3.24Å; Y668-V866 WeakPolarHBondContact OH-CG1 3.49Å; F848-V866 HydrophobicContact CE1-CG1 3.96Å; F848-V866 HydrophobicContact CE1-CG2 4.33Å; F848-V866 HydrophobicContact CE2-CG1 4.39Å; F848-V866 HydrophobicContact CZ-CB 4.27Å; F848-V866 HydrophobicContact CZ-CG1 3.48Å; F848-V866 VanDerWaalsContact CZ-CG1 3.48Å; F848-V866 HydrophobicContact CZ-CG2 3.85Å; V863-V866 PolarHBondContact O-N 3.43Å; V866-T868 PolarHBondContact O-N 2.89Å; V866-T868 VanDerWaalsContact O-N 3.14Å; V866-A869 PolarHBondContact O-N 3.2Å
867	L	48.2	Very low	54.5	Low	18 Å²	18	61.8 Å²	61.8	9%	0.094	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-76.1	8.6	176.9	-72.2	144.3	0	0	0	113.3	M603 A629 L633 D865 S874 Y877	M603-L867 VanDerWaalsContact CE-O 3.31Å; M603-L867 WeakPolarHBondContact CE-O 3.38Å; A629-L867 HydrophobicContact CB-CD1 3.58Å; A629-L867 HydrophobicContact CB-CD2 4.2Å; A629-L867 HydrophobicContact CB-CG 4.45Å; L633-L867 HydrophobicContact CD1-CD1 4.03Å; D865-L867 PolarHBondContact O-N 3.47Å; L867-S874 PolarHBondContact O-OG 3.37Å; L867-Y877 HydrophobicContact CD2-CD1 4.11Å; L867-Y877 HydrophobicContact CD2-CG 4.09Å
868	T	50.9	Low	57.1	Low	52 Å²	52	58.3 Å²	58.3	32%	0.319	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-134.6	12.3	174.8	49.7	0	0	0	0	112.9	L607 R626 D865 V866	L607-T868 WeakPolarHBondContact CD2-O 3.28Å; R626-T868 PolarHBondContact NH2-OG1 3.34Å; R626-T868 VanDerWaalsContact NH2-OG1 3.08Å; D865-T868 CarbonylContact O-C 3.6Å; D865-T868 VanDerWaalsContact O-C 3.3Å; D865-T868 WeakPolarHBondContact O-CA 3.48Å; D865-T868 PolarHBondContact O-N 2.96Å; D865-T868 PolarHBondContact O-OG1 3.09Å; V866-T868 PolarHBondContact O-N 2.89Å; V866-T868 VanDerWaalsContact O-N 3.14Å
869	A	56.9	Low	59.7	Low	57 Å²	57	54.9 Å²	54.9	47%	0.471	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-51.2	175.5	0	0	0	0	0	111.2	D865 V866	D865-A869 WeakPolarHBondContact O-CB 3.38Å; D865-A869 PolarHBondContact O-N 3.32Å; V866-A869 PolarHBondContact O-N 3.2Å
870	D	70.8	Confident	62.3	Low	32 Å²	32	44.3 Å²	44.3	17%	0.171	25%	0.245	C	C	.	.			trans	-100.9	109.6	-178.6	-174.7	-1.5	0	0	0	111.8	S872 V873 S874	D870-S872 PolarHBondContact O-N 3.48Å; D870-S872 WeakPolarHBondContact OD1-CA 3.45Å; D870-S872 VanDerWaalsContact OD1-CB 3.24Å; D870-S872 WeakPolarHBondContact OD1-CB 3.39Å; D870-S872 PolarHBondContact OD1-N 2.81Å; D870-S872 PolarHBondContact OD1-OG 2.91Å; D870-S872 PolarHBondContact OD2-OG 2.99Å; D870-V873 HydrophobicContact CB-CB 4.39Å; D870-V873 VanDerWaalsContact OD2-CG2 3.28Å; D870-V873 WeakPolarHBondContact OD2-CG2 3.32Å; D870-S874 VanDerWaalsContact O-CB 3.27Å; D870-S874 WeakPolarHBondContact O-CB 3.46Å; D870-S874 PolarHBondContact O-N 3.31Å; D870-S874 VanDerWaalsContact O-N 3.09Å; D870-S874 PolarHBondContact O-OG 3.45Å
871	M	83.5	Confident	64.8	Low	18 Å²	18	33.3 Å²	33.3	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-30.3	174.3	-176.3	63.5	-160.6	0	0	112.6	H439 L600 M603 H604 L607 S874 A875	H439-M871 WeakPolarHBondContact CE1-CG 3.42Å; H439-M871 WeakPolarHBondContact NE2-CG 3.31Å; L600-M871 HydrophobicContact CB-CE 4.33Å; L600-M871 HydrophobicContact CD2-CE 4.1Å; L600-M871 VanDerWaalsContact O-CE 3.29Å; L600-M871 WeakPolarHBondContact O-CE 3.47Å; M603-M871 HydrophobicContact CB-CE 4.26Å; M603-M871 HydrophobicContact CB-SD 4.04Å; M603-M871 HydrophobicContact CG-SD 3.74Å; M603-M871 HydrophobicContact SD-SD 4.16Å; H604-M871 HydrophobicContact CB-CE 4.02Å; H604-M871 HydrophobicContact CB-CG 4.5Å; H604-M871 HydrophobicContact CB-SD 4.1Å; L607-M871 HydrophobicContact CD1-CB 3.84Å; L607-M871 HydrophobicContact CD1-CG 4.42Å; L607-M871 HydrophobicContact CD1-SD 3.93Å; M871-S874 PolarHBondContact O-N 3.3Å; M871-A875 HydrophobicContact CE-CB 4.41Å; M871-A875 VanDerWaalsContact O-CB 3.29Å; M871-A875 WeakPolarHBondContact O-CB 3.49Å; M871-A875 PolarHBondContact O-N 3.37Å
872	S	81.3	Confident	67.2	Low	12 Å²	12	28 Å²	28	8%	0.084	17%	0.168	C	C	.	.	H	α-helix	trans	-73.9	-46.8	-174	77.5	0	0	0	0	112.4	M436 D870 S874 L876	M436-S872 WeakPolarHBondContact CE-OG 3.48Å; M436-S872 WeakPolarHBondContact O-CA 3.23Å; M436-S872 WeakPolarHBondContact O-CB 3.32Å; D870-S872 PolarHBondContact O-N 3.48Å; D870-S872 WeakPolarHBondContact OD1-CA 3.45Å; D870-S872 VanDerWaalsContact OD1-CB 3.24Å; D870-S872 WeakPolarHBondContact OD1-CB 3.39Å; D870-S872 PolarHBondContact OD1-N 2.81Å; D870-S872 PolarHBondContact OD1-OG 2.91Å; D870-S872 PolarHBondContact OD2-OG 2.99Å; S872-S874 VanDerWaalsContact C-N 3.34Å; S872-L876 PolarHBondContact O-N 3.04Å
873	V	79.1	Confident	69.4	Low	22 Å²	22	25.6 Å²	25.6	13%	0.133	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-39.4	170.8	171.2	0	0	0	0	110.7	M436 D870 L876 Y877	M436-V873 HydrophobicContact CE-CG2 4.09Å; D870-V873 HydrophobicContact CB-CB 4.39Å; D870-V873 VanDerWaalsContact OD2-CG2 3.28Å; D870-V873 WeakPolarHBondContact OD2-CG2 3.32Å; V873-L876 PolarHBondContact O-N 3.42Å; V873-Y877 PolarHBondContact O-N 2.82Å
874	S	83.3	Confident	71.5	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-47.4	178.4	-59.6	0	0	0	0	112.2	M603 L867 D870 M871 S872 L876 Y877 I878	M603-S874 WeakPolarHBondContact CE-OG 3.23Å; L867-S874 PolarHBondContact O-OG 3.37Å; D870-S874 VanDerWaalsContact O-CB 3.27Å; D870-S874 WeakPolarHBondContact O-CB 3.46Å; D870-S874 PolarHBondContact O-N 3.31Å; D870-S874 VanDerWaalsContact O-N 3.09Å; D870-S874 PolarHBondContact O-OG 3.45Å; M871-S874 PolarHBondContact O-N 3.3Å; S872-S874 VanDerWaalsContact C-N 3.34Å; S874-L876 VanDerWaalsContact C-N 3.29Å; S874-L876 PolarHBondContact O-N 2.73Å; S874-Y877 PolarHBondContact O-N 2.97Å; S874-I878 WeakPolarHBondContact O-CB 3.49Å; S874-I878 WeakPolarHBondContact O-CG1 3.49Å; S874-I878 PolarHBondContact O-N 2.72Å
875	A	84.7	Confident	73.6	Confident	1 Å²	1	24 Å²	24	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-42.6	175.1	0	0	0	0	0	111.6	H439 L600 M871 I878 H879	H439-A875 HydrophobicContact CB-CB 4.17Å; L600-A875 HydrophobicContact CD2-CB 3.97Å; M871-A875 HydrophobicContact CE-CB 4.41Å; M871-A875 VanDerWaalsContact O-CB 3.29Å; M871-A875 WeakPolarHBondContact O-CB 3.49Å; M871-A875 PolarHBondContact O-N 3.37Å; A875-I878 PolarHBondContact O-N 2.88Å; A875-H879 PolarHBondContact O-CD2 3.05Å; A875-H879 PolarHBondContact O-N 2.92Å
876	L	83.1	Confident	75.1	Confident	13 Å²	13	24.5 Å²	24.5	7%	0.068	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-43.9	177	-168.6	87.4	0	0	0	112.5	V432 M436 M663 L667 S872 V873 S874 E880	V432-L876 HydrophobicContact CG1-CD1 4.29Å; M436-L876 HydrophobicContact CB-CB 4.46Å; M436-L876 HydrophobicContact CB-CD1 4.37Å; M663-L876 HydrophobicContact CE-CD1 4.4Å; M663-L876 HydrophobicContact SD-CD1 3.85Å; M663-L876 HydrophobicContact SD-CD2 3.86Å; M663-L876 HydrophobicContact SD-CG 4.22Å; L667-L876 HydrophobicContact CD1-CD2 3.45Å; L667-L876 VanDerWaalsContact CD1-CD2 3.45Å; S872-L876 PolarHBondContact O-N 3.04Å; V873-L876 PolarHBondContact O-N 3.42Å; S874-L876 VanDerWaalsContact C-N 3.29Å; S874-L876 PolarHBondContact O-N 2.73Å; L876-E880 PolarHBondContact O-N 3.22Å
877	Y	84.1	Confident	76.7	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-44.1	175.6	171.2	-96.6	0	0	0	111.5	I625 Q628 A629 F664 L867 V873 S874 E880 L881	I625-Y877 HydrophobicContact CG2-CE1 4.31Å; Q628-Y877 WeakPolarHBondContact CG-OH 3.3Å; A629-Y877 WeakPolarHBondContact CA-OH 3.46Å; A629-Y877 HydrophobicContact CB-CD1 4.3Å; A629-Y877 HydrophobicContact CB-CE1 3.63Å; A629-Y877 HydrophobicContact CB-CE2 4.31Å; A629-Y877 PolarHBondContact N-OH 3.39Å; F664-Y877 AromaticContact CD2-CD2 3.69Å; F664-Y877 HydrophobicContact CD2-CD2 3.69Å; F664-Y877 HydrophobicContact CD2-CG 4.42Å; F664-Y877 AromaticContact CE2-CD2 3.71Å; F664-Y877 HydrophobicContact CE2-CD2 3.71Å; F664-Y877 HydrophobicContact CE2-CG 4.3Å; F664-Y877 HydrophobicContact CG-CD2 4.28Å; F664-Y877 HydrophobicContact CZ-CD2 4.34Å; L867-Y877 HydrophobicContact CD2-CD1 4.11Å; L867-Y877 HydrophobicContact CD2-CG 4.09Å; V873-Y877 PolarHBondContact O-N 2.82Å; S874-Y877 PolarHBondContact O-N 2.97Å; Y877-E880 WeakPolarHBondContact O-CB 3.45Å; Y877-E880 PolarHBondContact O-N 3.27Å; Y877-L881 HydrophobicContact CE1-CB 4.36Å; Y877-L881 HydrophobicContact CE1-CD2 4.1Å; Y877-L881 WeakPolarHBondContact O-CB 3.49Å; Y877-L881 PolarHBondContact O-N 3.21Å
878	I	84.3	Confident	78.2	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-43.6	-178.5	-67.6	172.4	0	0	0	110.7	W527 M603 I625 S874 A875 E880 L881 F882	W527-I878 HydrophobicContact CE3-CG2 3.88Å; W527-I878 HydrophobicContact CH2-CG2 4.15Å; W527-I878 HydrophobicContact CZ3-CG2 3.38Å; M603-I878 HydrophobicContact SD-CD1 3.53Å; M603-I878 VanDerWaalsContact SD-CD1 3.53Å; I625-I878 HydrophobicContact CD1-CD1 4.29Å; I625-I878 HydrophobicContact CD1-CG1 4.22Å; I625-I878 HydrophobicContact CD1-CG2 4.3Å; I625-I878 HydrophobicContact CG2-CD1 4.3Å; I625-I878 HydrophobicContact CG2-CG1 4.05Å; S874-I878 WeakPolarHBondContact O-CB 3.49Å; S874-I878 WeakPolarHBondContact O-CG1 3.49Å; S874-I878 PolarHBondContact O-N 2.72Å; A875-I878 PolarHBondContact O-N 2.88Å; I878-E880 PolarHBondContact O-N 3.4Å; I878-L881 PolarHBondContact O-N 3.34Å; I878-F882 HydrophobicContact CG2-CD2 3.75Å; I878-F882 HydrophobicContact CG2-CE2 3.33Å; I878-F882 HydrophobicContact CG2-CZ 4.39Å; I878-F882 WeakPolarHBondContact O-CD2 3.4Å; I878-F882 PolarHBondContact O-N 2.75Å; I878-F882 VanDerWaalsContact O-N 3.11Å
879	H	83.6	Confident	79.2	Confident	16 Å²	16	34 Å²	34	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-60	-42.8	171.1	-82.4	-69.2	0	0	0	112.7	H439 M441 W527 A875 F882 H883	H439-H879 PolarHBondContact O-NE2 3.24Å; M441-H879 PolarHBondContact O-CE1 3.38Å; W527-H879 AromaticContact CH2-CE1 3.48Å; W527-H879 VanDerWaalsContact CH2-CE1 3.48Å; W527-H879 WeakPolarHBondContact CH2-CE1 3.42Å; W527-H879 AromaticContact CH2-ND1 3.56Å; W527-H879 AromaticContact CH2-NE2 3.93Å; W527-H879 AromaticContact CZ2-CE1 3.67Å; W527-H879 AromaticContact CZ2-ND1 3.59Å; A875-H879 PolarHBondContact O-CD2 3.05Å; A875-H879 PolarHBondContact O-N 2.92Å; H879-F882 PolarHBondContact O-N 2.87Å; H879-H883 VanDerWaalsContact O-CB 3.29Å; H879-H883 WeakPolarHBondContact O-CB 3.39Å; H879-H883 PolarHBondContact O-N 3.3Å
880	E	82	Confident	79.8	Confident	13 Å²	13	36.1 Å²	36.1	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-43.4	175.8	-179.3	73.2	97.9	0	0	112.1	K446 M663 L876 Y877 I878 F882 H883 R884	K446-E880 IonicContact NZ-OE1 3.64Å; K446-E880 PolarHBondContact NZ-OE1 3.02Å; K446-E880 IonicContact NZ-OE2 3.64Å; K446-E880 PolarHBondContact NZ-OE2 3.19Å; M663-E880 PolarHBondContact N-OE1 3.38Å; L876-E880 PolarHBondContact O-N 3.22Å; Y877-E880 WeakPolarHBondContact O-CB 3.45Å; Y877-E880 PolarHBondContact O-N 3.27Å; I878-E880 PolarHBondContact O-N 3.4Å; E880-F882 PolarHBondContact O-N 3.2Å; E880-H883 PolarHBondContact O-N 3.37Å; E880-R884 WeakPolarHBondContact O-CG 3.39Å; E880-R884 PolarHBondContact O-N 2.95Å
881	L	82.5	Confident	79.7	Confident	6 Å²	6	40.1 Å²	40.1	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-46.4	178.5	176.4	61	0	0	0	111.7	Q628 Y877 I878 R884 R885	Q628-L881 HydrophobicContact CB-CD2 4.45Å; Q628-L881 HydrophobicContact CG-CD1 3.58Å; Q628-L881 HydrophobicContact CG-CD2 3.8Å; Q628-L881 HydrophobicContact CG-CG 4.35Å; Y877-L881 HydrophobicContact CE1-CB 4.36Å; Y877-L881 HydrophobicContact CE1-CD2 4.1Å; Y877-L881 WeakPolarHBondContact O-CB 3.49Å; Y877-L881 PolarHBondContact O-N 3.21Å; I878-L881 PolarHBondContact O-N 3.34Å; L881-R884 PolarHBondContact O-N 3.05Å; L881-R885 WeakPolarHBondContact O-CG 3.36Å; L881-R885 PolarHBondContact O-N 3.09Å
882	F	80.1	Confident	78.8	Confident	10 Å²	10	44.8 Å²	44.8	4%	0.044	20%	0.204	C	C	.	.	H	α-helix	trans	-74.8	-32.9	179.8	-63.1	-52.2	0	0	0	113.4	M526 W527 I625 I878 H879 E880 R884 R885 R886	M526-F882 VanDerWaalsContact O-CD1 3.26Å; M526-F882 WeakPolarHBondContact O-CD1 3.44Å; W527-F882 VanDerWaalsContact C-CE1 3.47Å; W527-F882 VanDerWaalsContact CA-CE1 3.43Å; W527-F882 HydrophobicContact CB-CD2 4.16Å; W527-F882 HydrophobicContact CB-CE1 4.28Å; W527-F882 HydrophobicContact CB-CE2 3.84Å; W527-F882 HydrophobicContact CB-CZ 3.96Å; W527-F882 AromaticContact CD2-CD2 3.27Å; W527-F882 HydrophobicContact CD2-CD2 3.27Å; W527-F882 AromaticContact CD2-CE2 3.49Å; W527-F882 HydrophobicContact CD2-CE2 3.49Å; W527-F882 VanDerWaalsContact CD2-CE2 3.49Å; W527-F882 HydrophobicContact CD2-CG 4.07Å; W527-F882 HydrophobicContact CD2-CZ 4.47Å; W527-F882 AromaticContact CE2-CD2 3.68Å; W527-F882 AromaticContact CE3-CD2 3.37Å; W527-F882 HydrophobicContact CE3-CD2 3.37Å; W527-F882 AromaticContact CE3-CE2 3.24Å; W527-F882 HydrophobicContact CE3-CE2 3.24Å; W527-F882 HydrophobicContact CE3-CZ 4.36Å; W527-F882 AromaticContact CG-CD2 3.7Å; W527-F882 HydrophobicContact CG-CD2 3.7Å; W527-F882 AromaticContact CG-CE2 3.83Å; W527-F882 HydrophobicContact CG-CE2 3.83Å; W527-F882 HydrophobicContact CG-CG 4.11Å; W527-F882 HydrophobicContact CG-CZ 4.39Å; W527-F882 HydrophobicContact CH2-CD2 4.12Å; W527-F882 HydrophobicContact CZ2-CD2 4.07Å; W527-F882 AromaticContact CZ3-CD2 3.81Å; W527-F882 HydrophobicContact CZ3-CD2 3.81Å; W527-F882 AromaticContact CZ3-CE2 3.89Å; W527-F882 HydrophobicContact CZ3-CE2 3.89Å; W527-F882 WeakPolarHBondContact O-CE1 3.38Å; W527-F882 WeakPolarHBondContact O-CZ 3.49Å; I625-F882 HydrophobicContact CD1-CE2 4.43Å; I625-F882 HydrophobicContact CD1-CZ 4.12Å; I878-F882 HydrophobicContact CG2-CD2 3.75Å; I878-F882 HydrophobicContact CG2-CE2 3.33Å; I878-F882 HydrophobicContact CG2-CZ 4.39Å; I878-F882 WeakPolarHBondContact O-CD2 3.4Å; I878-F882 PolarHBondContact O-N 2.75Å; I878-F882 VanDerWaalsContact O-N 3.11Å; H879-F882 PolarHBondContact O-N 2.87Å; E880-F882 PolarHBondContact O-N 3.2Å; F882-R884 VanDerWaalsContact C-N 3.34Å; F882-R884 PolarHBondContact O-N 3.4Å; F882-R885 PolarHBondContact O-N 3.11Å; F882-R886 WeakPolarHBondContact O-CB 3.45Å; F882-R886 PolarHBondContact O-N 3.15Å
883	H	80	Confident	77.7	Confident	19 Å²	19	49.1 Å²	49.1	9%	0.088	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-44.6	171.1	-166.1	-91.6	0	0	0	111.6	E447 H879 E880 R886 Q887	E447-H883 IonicContact OE1-CE1 2.68Å; E447-H883 PolarHBondContact OE1-CE1 3.41Å; E447-H883 IonicContact OE1-NE2 3.27Å; H879-H883 VanDerWaalsContact O-CB 3.29Å; H879-H883 WeakPolarHBondContact O-CB 3.39Å; H879-H883 PolarHBondContact O-N 3.3Å; E880-H883 PolarHBondContact O-N 3.37Å; H883-R886 PolarHBondContact O-N 2.87Å; H883-Q887 PolarHBondContact CE1-NE2 2.9Å; H883-Q887 VanDerWaalsContact CE1-NE2 3.27Å; H883-Q887 WeakPolarHBondContact O-CG 3.3Å; H883-Q887 PolarHBondContact O-N 3.34Å
884	R	80.5	Confident	76.6	Confident	68 Å²	68	51.4 Å²	51.4	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-47.6	173.4	-69.3	173.5	-174.2	176.5	7	112.2	D632 E880 L881 F882 R886 Q887 Q888	D632-R884 IonicContact OD2-CZ 2.79Å; D632-R884 IonicContact OD2-NH1 3.26Å; D632-R884 PolarHBondContact OD2-NH1 3.48Å; E880-R884 WeakPolarHBondContact O-CG 3.39Å; E880-R884 PolarHBondContact O-N 2.95Å; L881-R884 PolarHBondContact O-N 3.05Å; F882-R884 VanDerWaalsContact C-N 3.34Å; F882-R884 PolarHBondContact O-N 3.4Å; R884-R886 VanDerWaalsContact C-N 3.29Å; R884-R886 PolarHBondContact O-N 3.47Å; R884-Q887 PolarHBondContact O-N 3.34Å; R884-Q888 WeakPolarHBondContact O-CG 3.24Å; R884-Q888 PolarHBondContact O-N 3.28Å
885	R	81.2	Confident	75.3	Confident	27 Å²	27	54.9 Å²	54.9	10%	0.102	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-36.9	178	-72.8	174.3	176.9	-179.5	2.5	111.9	L881 F882 Q888 R889	L881-R885 WeakPolarHBondContact O-CG 3.36Å; L881-R885 PolarHBondContact O-N 3.09Å; F882-R885 PolarHBondContact O-N 3.11Å; R885-Q888 PolarHBondContact O-N 3.44Å; R885-R889 WeakPolarHBondContact O-CG 3.47Å; R885-R889 PolarHBondContact O-N 2.93Å
886	R	73.8	Confident	73.6	Confident	95 Å²	95	63 Å²	63	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-50.6	173.4	-176.5	179.5	-168.7	139.8	11.6	111.7	D443 M526 F882 H883 R884 Q888 R889 Q890	D443-R886 WeakPolarHBondContact OD2-CD 3.49Å; D443-R886 IonicContact OD2-CZ 2.8Å; D443-R886 IonicContact OD2-NE 3.18Å; D443-R886 IonicContact OD2-NH1 3.33Å; D443-R886 PolarHBondContact OD2-NH1 2.82Å; M526-R886 HydrophobicContact CE-CB 3.94Å; M526-R886 HydrophobicContact CE-CG 3.61Å; F882-R886 WeakPolarHBondContact O-CB 3.45Å; F882-R886 PolarHBondContact O-N 3.15Å; H883-R886 PolarHBondContact O-N 2.87Å; R884-R886 VanDerWaalsContact C-N 3.29Å; R884-R886 PolarHBondContact O-N 3.47Å; R886-Q888 VanDerWaalsContact C-N 3.32Å; R886-Q888 PolarHBondContact O-N 3.44Å; R886-R889 PolarHBondContact O-N 3.35Å; R886-Q890 WeakPolarHBondContact O-CG 3.43Å; R886-Q890 PolarHBondContact O-N 2.94Å
887	Q	77	Confident	71.9	Confident	69 Å²	69	64.7 Å²	64.7	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-38.9	177.6	-71.8	179.9	-24	0	0	111.8	E447 H883 R884 Q890 N891	E447-Q887 PolarHBondContact OE1-NE2 2.77Å; H883-Q887 PolarHBondContact CE1-NE2 2.9Å; H883-Q887 VanDerWaalsContact CE1-NE2 3.27Å; H883-Q887 WeakPolarHBondContact O-CG 3.3Å; H883-Q887 PolarHBondContact O-N 3.34Å; R884-Q887 PolarHBondContact O-N 3.34Å; Q887-Q890 PolarHBondContact O-N 3.27Å; Q887-N891 WeakPolarHBondContact O-CB 3.47Å; Q887-N891 VanDerWaalsContact O-CG 3.28Å; Q887-N891 PolarHBondContact O-N 3.09Å; Q887-N891 PolarHBondContact O-ND2 3.41Å
888	Q	79	Confident	70	Confident	128 Å²	128	73.2 Å²	73.2	60%	0.598	35%	0.352	S	S	*	.	H	α-helix	trans	-61.4	-48.7	174.3	-74.6	172	-19.6	0	0	112.4	R884 R885 R886 N891 H892	R884-Q888 WeakPolarHBondContact O-CG 3.24Å; R884-Q888 PolarHBondContact O-N 3.28Å; R885-Q888 PolarHBondContact O-N 3.44Å; R886-Q888 VanDerWaalsContact C-N 3.32Å; R886-Q888 PolarHBondContact O-N 3.44Å; Q888-N891 PolarHBondContact O-N 3.39Å; Q888-H892 WeakPolarHBondContact O-CB 3.38Å; Q888-H892 PolarHBondContact O-N 3.05Å
889	R	72.8	Confident	68	Low	98 Å²	98	76.4 Å²	76.4	37%	0.37	37%	0.374	S	S	.	.	H	α-helix	trans	-58.3	-48.9	176.3	-72.4	-177.1	-176.7	172	4.4	111.2	P525 N530 R885 R886 N891 H892 D893	P525-R889 PolarHBondContact O-NH1 3.46Å; N530-R889 PolarHBondContact OD1-NH2 2.99Å; R885-R889 WeakPolarHBondContact O-CG 3.47Å; R885-R889 PolarHBondContact O-N 2.93Å; R886-R889 PolarHBondContact O-N 3.35Å; R889-N891 VanDerWaalsContact C-N 3.35Å; R889-N891 PolarHBondContact O-N 3.35Å; R889-H892 WeakPolarHBondContact O-CB 3.24Å; R889-H892 PolarHBondContact O-N 3.48Å; R889-D893 PolarHBondContact O-N 2.92Å
890	Q	69.7	Low	66.2	Low	102 Å²	102	80.4 Å²	80.4	48%	0.477	40%	0.404	S	S	.	.	H	α-helix	trans	-59.5	-39.7	179.1	-72.7	178.8	-30.1	0	0	113.7	R886 Q887 S894	R886-Q890 WeakPolarHBondContact O-CG 3.43Å; R886-Q890 PolarHBondContact O-N 2.94Å; Q887-Q890 PolarHBondContact O-N 3.27Å; Q890-S894 WeakPolarHBondContact O-CB 3.44Å; Q890-S894 PolarHBondContact O-N 3.13Å; Q890-S894 VanDerWaalsContact O-N 3.14Å; Q890-S894 PolarHBondContact O-OG 3.5Å
891	N	68.3	Low	64.2	Low	116 Å²	116	87.8 Å²	87.8	62%	0.62	44%	0.439	S	S	*	.	H	α-helix	trans	-67.8	-36.4	174.1	-72.9	-24.1	0	0	0	111.9	Q887 Q888 R889 S895	Q887-N891 WeakPolarHBondContact O-CB 3.47Å; Q887-N891 VanDerWaalsContact O-CG 3.28Å; Q887-N891 PolarHBondContact O-N 3.09Å; Q887-N891 PolarHBondContact O-ND2 3.41Å; Q888-N891 PolarHBondContact O-N 3.39Å; R889-N891 VanDerWaalsContact C-N 3.35Å; R889-N891 PolarHBondContact O-N 3.35Å; N891-S895 WeakPolarHBondContact O-CB 3.29Å; N891-S895 PolarHBondContact O-N 3.13Å
892	H	64.1	Low	62.1	Low	117 Å²	117	98.1 Å²	98.1	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-70.5	-39.2	179.8	-155.5	-25.9	0	0	0	112.7	Q888 R889 S895 R896	Q888-H892 WeakPolarHBondContact O-CB 3.38Å; Q888-H892 PolarHBondContact O-N 3.05Å; R889-H892 WeakPolarHBondContact O-CB 3.24Å; R889-H892 PolarHBondContact O-N 3.48Å; H892-S895 WeakPolarHBondContact O-CB 3.19Å; H892-S895 PolarHBondContact O-N 3.47Å; H892-R896 PolarHBondContact O-N 2.97Å
893	D	57.5	Low	60	Low	102 Å²	102	100.8 Å²	100.8	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-41.7	174.3	-67.9	-37.9	0	0	0	111.3	R889 S895 R896 G897	R889-D893 PolarHBondContact O-N 2.92Å; D893-S895 VanDerWaalsContact C-N 3.3Å; D893-S895 PolarHBondContact O-N 2.88Å; D893-R896 PolarHBondContact O-N 3.44Å; D893-R896 VanDerWaalsContact O-N 3.15Å; D893-G897 PolarHBondContact O-N 2.99Å
894	S	57.6	Low	58	Low	71 Å²	71	108.8 Å²	108.8	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-59.3	-40.4	173.7	-60	0	0	0	0	111.9	Q890 G897 Y898	Q890-S894 WeakPolarHBondContact O-CB 3.44Å; Q890-S894 PolarHBondContact O-N 3.13Å; Q890-S894 VanDerWaalsContact O-N 3.14Å; Q890-S894 PolarHBondContact O-OG 3.5Å; S894-G897 PolarHBondContact O-N 2.91Å; S894-Y898 WeakPolarHBondContact O-CD2 3.46Å; S894-Y898 PolarHBondContact O-N 3.39Å
895	S	54.6	Low	55.7	Low	73 Å²	73	112 Å²	112	51%	0.51	57%	0.574	S	S	.	*	H	α-helix	trans	-64.7	-38.6	174.7	-175.2	0	0	0	0	112.8	N891 H892 D893 G897 Y898 S899	N891-S895 WeakPolarHBondContact O-CB 3.29Å; N891-S895 PolarHBondContact O-N 3.13Å; H892-S895 WeakPolarHBondContact O-CB 3.19Å; H892-S895 PolarHBondContact O-N 3.47Å; D893-S895 VanDerWaalsContact C-N 3.3Å; D893-S895 PolarHBondContact O-N 2.88Å; S895-G897 VanDerWaalsContact C-N 3.34Å; S895-Y898 PolarHBondContact O-N 2.94Å; S895-S899 WeakPolarHBondContact O-CB 3.5Å; S895-S899 PolarHBondContact O-N 3.02Å; S895-S899 PolarHBondContact O-OG 3.09Å
896	R	50.8	Low	53.3	Low	171 Å²	171	114.2 Å²	114.2	65%	0.645	61%	0.606	S	S	*	*	H	α-helix	trans	-63.9	-37.7	172.5	-87.2	-178.1	166.4	158.2	-1.7	112.4	H892 D893 S899 S900	H892-R896 PolarHBondContact O-N 2.97Å; D893-R896 PolarHBondContact O-N 3.44Å; D893-R896 VanDerWaalsContact O-N 3.15Å; R896-S899 WeakPolarHBondContact CA-OG 3.36Å; R896-S899 PolarHBondContact O-OG 3.38Å; R896-S900 PolarHBondContact O-N 3.44Å
897	G	46.1	Very low	51.5	Low	49 Å²	49	115.4 Å²	115.4	51%	0.505	63%	0.629	S	S	.	*	H	α-helix	trans	-57.8	-49.9	174.7	0	0	0	0	0	112.9	D893 S894 S895	D893-G897 PolarHBondContact O-N 2.99Å; S894-G897 PolarHBondContact O-N 2.91Å; S895-G897 VanDerWaalsContact C-N 3.34Å
898	Y	44.8	Very low	49.3	Very low	184 Å²	184	119 Å²	119	72%	0.722	66%	0.656	S	S	*	*	H	α-helix	trans	-75.5	-30.5	-179.1	-80.8	-78.8	0	0	0	114.7	S894 S895 Q901	S894-Y898 WeakPolarHBondContact O-CD2 3.46Å; S894-Y898 PolarHBondContact O-N 3.39Å; S895-Y898 PolarHBondContact O-N 2.94Å; Y898-Q901 PolarHBondContact O-N 3.18Å
899	S	42.9	Very low	47.2	Very low	70 Å²	70	118.5 Å²	118.5	49%	0.49	66%	0.663	S	S	.	*	H	α-helix	trans	-72.2	-35	177.5	46.7	0	0	0	0	112.8	S895 R896 Q901 R902	S895-S899 WeakPolarHBondContact O-CB 3.5Å; S895-S899 PolarHBondContact O-N 3.02Å; S895-S899 PolarHBondContact O-OG 3.09Å; R896-S899 WeakPolarHBondContact CA-OG 3.36Å; R896-S899 PolarHBondContact O-OG 3.38Å; S899-Q901 PolarHBondContact O-N 2.86Å; S899-R902 PolarHBondContact O-N 3.35Å; S899-R902 VanDerWaalsContact O-N 3.11Å
900	S	43.9	Very low	45.3	Very low	100 Å²	100	117.8 Å²	117.8	70%	0.699	69%	0.687	S	S	*	*	H	α-helix	trans	-56.7	-35.1	173.1	-167.3	0	0	0	0	112.6	R896 R902	R896-S900 PolarHBondContact O-N 3.44Å; S900-R902 VanDerWaalsContact C-N 3.31Å; S900-R902 PolarHBondContact O-N 3.48Å
901	Q	41.9	Very low	43.5	Very low	169 Å²	169	117.6 Å²	117.6	79%	0.79	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-3	-179.1	-137.6	173.5	24.4	0	0	114.7	Y898 S899	Y898-Q901 PolarHBondContact O-N 3.18Å; S899-Q901 PolarHBondContact O-N 2.86Å
902	R	37.4	Very low	41.8	Very low	222 Å²	222	120 Å²	120	84%	0.838	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	2.8	177.5	-114.4	-179.8	-173.9	178.6	3.2	114.5	S899 S900	S899-R902 PolarHBondContact O-N 3.35Å; S899-R902 VanDerWaalsContact O-N 3.11Å; S900-R902 VanDerWaalsContact C-N 3.31Å; S900-R902 PolarHBondContact O-N 3.48Å
903	G	36.8	Very low	40.4	Very low	66 Å²	66	120.1 Å²	120.1	68%	0.68	73%	0.727	S	S	*	*	S	Bend	trans	-89	-6.9	-177.8	0	0	0	0	0	116.5
904	M	37.1	Very low	39.2	Very low	187 Å²	187	118.3 Å²	118.3	92%	0.921	73%	0.733	S	S	*	*			trans	-118.2	67.1	-174	-73.3	-159.3	168.6	0	0	114
905	T	32.1	Very low	38.1	Very low	135 Å²	135	122.9 Å²	122.9	83%	0.828	75%	0.751	S	S	*	*			trans	-137.2	84.2	165.1	55.3	0	0	0	0	110.5
906	G	30.9	Very low	36.9	Very low	74 Å²	74	126.8 Å²	126.8	76%	0.763	77%	0.766	S	S	*	*			trans	160.7	58.4	175.8	0	0	0	0	0	118.5
907	S	36.3	Very low	36	Very low	120 Å²	120	127.9 Å²	127.9	84%	0.839	78%	0.779	S	S	*	*			trans	-172.6	119	148.1	19.7	0	0	0	0	112
908	T	31	Very low	35.2	Very low	146 Å²	146	130.9 Å²	130.9	90%	0.896	79%	0.788	S	S	*	*			trans	-106.9	129.1	167.4	-49.2	0	0	0	0	108.7
909	P	34.8	Very low	34.4	Very low	116 Å²	116	131.6 Å²	131.6	75%	0.753	80%	0.795	S	S	*	*			trans	-142	151.2	143.8	36.9	-23.3	0	0	0	114.1
910	G	33.7	Very low	34	Very low	84 Å²	84	133 Å²	133	87%	0.866	80%	0.802	S	S	*	*			trans	81.9	104.4	154.8	0	0	0	0	0	116.8
911	A	31.2	Very low	33.2	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	81%	0.806	S	S	*	*			trans	-94	139.7	166.3	0	0	0	0	0	111.3
912	N	32.2	Very low	32.6	Very low	165 Å²	165	132.5 Å²	132.5	88%	0.882	81%	0.811	S	S	*	*			trans	-159.5	154.2	139.3	-113.9	-12.1	0	0	0	111.3
913	P	35.5	Very low	32	Very low	120 Å²	120	131.2 Å²	131.2	78%	0.779	82%	0.815	S	S	*	*			trans	-110.3	169.1	-166.9	41.1	-34.9	0	0	0	115.3
914	G	31.2	Very low	31.6	Very low	65 Å²	65	134 Å²	134	67%	0.67	82%	0.824	S	S	*	*			trans	106.5	131.8	171.3	0	0	0	0	0	112.8
915	N	34.6	Very low	31.1	Very low	166 Å²	166	130.1 Å²	130.1	89%	0.888	82%	0.815	S	S	*	*			cis	-141.1	165.4	16.5	-74.3	-28.3	0	0	0	112.8
916	N	28.8	Very low	30.9	Very low	155 Å²	155	131.6 Å²	131.6	83%	0.829	82%	0.818	S	S	*	*			trans	-72.5	148.2	161.3	-60.7	-34.6	0	0	0	110.1
917	E	32.8	Very low	30.8	Very low	195 Å²	195	133 Å²	133	91%	0.911	81%	0.813	S	S	*	*				-156.6	169.6	122.3	-120	168.8	-151.9	0	0	111.2
918	T	28.6	Very low	30.2	Very low	112 Å²	112	135.9 Å²	135.9	69%	0.687	82%	0.819	S	S	*	*			trans	-143.4	152.5	-170.4	-61.4	0	0	0	0	109
919	F	29	Very low	30	Very low	199 Å²	199	132.3 Å²	132.3	87%	0.873	81%	0.811	S	S	*	*			trans	142.4	158.3	152.8	-74.8	-55.1	0	0	0	112.3
920	P	34.3	Very low	29.5	Very low	100 Å²	100	133 Å²	133	65%	0.649	81%	0.813	S	S	*	*			trans	-127.2	174	-144.4	41.5	-26.4	0	0	0	115.6
921	S	25.9	Very low	29	Very low	110 Å²	110	132.5 Å²	132.5	77%	0.769	81%	0.807	S	S	*	*			trans	41.1	112.8	149.3	62.8	0	0	0	0	119.1
922	T	30	Very low	28.7	Very low	148 Å²	148	133.2 Å²	133.2	91%	0.908	80%	0.801	S	S	*	*			trans	-127.8	145.3	155.3	-30.9	0	0	0	0	109.8
923	Q	24.3	Very low	28.3	Very low	194 Å²	194	135.9 Å²	135.9	91%	0.907	80%	0.801	S	S	*	*			trans	-87.5	150.2	-179.2	-61.7	169.2	-7.6	0	0	111
924	S	29.7	Very low	27.7	Very low	126 Å²	126	135 Å²	135	88%	0.881	80%	0.798	S	S	*	*			trans	-142.8	143.6	150.9	69.3	0	0	0	0	109.9
925	S	25.6	Very low	27.4	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	80%	0.804	S	S	*	*			trans	-131.4	132	-172.3	57	0	0	0	0	110.4
926	N	28.7	Very low	26.9	Very low	166 Å²	166	134.5 Å²	134.5	89%	0.888	79%	0.791	S	S	*	*			trans	-164.3	162.1	153.6	-101.8	-20.5	0	0	0	110.8
927	P	29.5	Very low	26.6	Very low	102 Å²	102	130.9 Å²	130.9	66%	0.662	79%	0.791	S	S	*	*				-122.8	172.1	-126.2	42.9	-35	0	0	0	116.9
928	L	23.8	Very low	26.3	Very low	181 Å²	181	130.3 Å²	130.3	95%	0.948	78%	0.781	S	S	*	*			trans	20.1	105.7	151.4	-77.1	132.7	0	0	0	118.1
929	G	25.3	Very low	26	Very low	71 Å²	71	132 Å²	132	73%	0.732	79%	0.786	S	S	*	*			trans	-156.5	118.1	165.2	0	0	0	0	0	113
930	V	25.9	Very low	25.8	Very low	132 Å²	132	126.6 Å²	126.6	80%	0.8	77%	0.77	S	S	*	*			trans	37.5	98.7	161	-169.7	0	0	0	0	117.2	V932	V930-V932 HydrophobicContact CG1-CG2 4.28Å; V930-V932 PolarHBondContact O-N 2.68Å; V930-V932 VanDerWaalsContact O-N 3.13Å
931	G	23	Very low	25.3	Very low	72 Å²	72	127.2 Å²	127.2	74%	0.742	78%	0.777	S	S	*	*			trans	-70.8	102.7	165.1	0	0	0	0	0	112
932	V	23.7	Very low	25.3	Very low	114 Å²	114	132.2 Å²	132.2	69%	0.691	78%	0.78	S	S	*	*			trans	-77.6	117.4	169.3	178	0	0	0	0	108.9	V930 S934	V930-V932 HydrophobicContact CG1-CG2 4.28Å; V930-V932 PolarHBondContact O-N 2.68Å; V930-V932 VanDerWaalsContact O-N 3.13Å; V932-S934 VanDerWaalsContact C-N 3.28Å; V932-S934 PolarHBondContact O-N 3.16Å
933	Y	24.2	Very low	25	Very low	221 Å²	221	133.3 Å²	133.3	87%	0.867	78%	0.775	S	S	*	*			trans	-76.3	78.3	172.8	-80.5	-82.1	0	0	0	110.8	T935	Y933-T935 PolarHBondContact O-N 3.14Å
934	S	23.2	Very low	25	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	77%	0.767	S	S	*	*			trans	-66.7	98.6	166.2	-61.8	0	0	0	0	109.5	V932 S936	V932-S934 VanDerWaalsContact C-N 3.28Å; V932-S934 PolarHBondContact O-N 3.16Å; S934-S936 PolarHBondContact O-N 3.14Å
935	T	24.1	Very low	24.8	Very low	131 Å²	131	130.1 Å²	130.1	80%	0.804	76%	0.76	S	S	*	*			trans	-68.6	76.8	170.8	33.4	0	0	0	0	110.1	Y933 G937	Y933-T935 PolarHBondContact O-N 3.14Å; T935-G937 PolarHBondContact O-N 3.02Å; T935-G937 VanDerWaalsContact O-N 3.07Å
936	S	25.6	Very low	24.8	Very low	89 Å²	89	133.4 Å²	133.4	62%	0.622	76%	0.763	S	S	*	*			trans	-51.6	113.8	173.8	-178.1	0	0	0	0	110.2	S934 Y938	S934-S936 PolarHBondContact O-N 3.14Å; S936-Y938 PolarHBondContact O-N 3.06Å
937	G	22.4	Very low	24.6	Very low	79 Å²	79	131 Å²	131	81%	0.814	75%	0.754	S	S	*	*			trans	-73.3	54.1	-179.9	0	0	0	0	0	113.1	T935	T935-G937 PolarHBondContact O-N 3.02Å; T935-G937 VanDerWaalsContact O-N 3.07Å
938	Y	24.9	Very low	24.5	Very low	182 Å²	182	130.8 Å²	130.8	71%	0.714	76%	0.755	S	S	*	*			trans	-112.5	139.6	167.7	-81	-96.1	0	0	0	109.3	S936 P940	S936-Y938 PolarHBondContact O-N 3.06Å; Y938-P940 WeakPolarHBondContact O-CD 3.46Å
939	L	24.1	Very low	24.5	Very low	149 Å²	149	132 Å²	132	78%	0.78	75%	0.753	S	S	*	*			trans	-101.3	91.6	162.8	-133.7	155.9	0	0	0	105.2	S941	L939-S941 PolarHBondContact O-N 3.01Å
940	P	24.7	Very low	24.7	Very low	85 Å²	85	132.1 Å²	132.1	55%	0.552	75%	0.747	S	S	*	*			trans	-72	132.1	176.7	-4.9	23.4	0	0	0	107	Y938 Y942	Y938-P940 WeakPolarHBondContact O-CD 3.46Å; P940-Y942 PolarHBondContact O-N 3.43Å; P940-Y942 VanDerWaalsContact O-N 3.08Å
941	S	23.7	Very low	24.7	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	75%	0.747	S	S	*	*			trans	-52.7	119.5	162.4	-53.7	0	0	0	0	107.7	L939 Q943	L939-S941 PolarHBondContact O-N 3.01Å; S941-Q943 PolarHBondContact O-N 3.3Å
942	Y	24.7	Very low	24.9	Very low	214 Å²	214	134.4 Å²	134.4	84%	0.839	75%	0.75	S	S	*	*			trans	-70.8	78.7	175.1	-94.6	-88.4	0	0	0	109.4	P940 L944	P940-Y942 PolarHBondContact O-N 3.43Å; P940-Y942 VanDerWaalsContact O-N 3.08Å; Y942-L944 PolarHBondContact O-N 2.94Å
943	Q	23.1	Very low	25.1	Very low	172 Å²	172	134.2 Å²	134.2	80%	0.804	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.7	167.3	-159.7	168.4	15.9	0	0	106.8	S941	S941-Q943 PolarHBondContact O-N 3.3Å
944	L	25	Very low	25.3	Very low	141 Å²	141	132.9 Å²	132.9	74%	0.738	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-56.7	139	-179.6	-78.8	72.2	0	0	0	108.8	Y942 H946	Y942-L944 PolarHBondContact O-N 2.94Å; L944-H946 PolarHBondContact O-N 3.31Å; L944-H946 VanDerWaalsContact O-N 3.09Å
945	P	26.1	Very low	25.5	Very low	112 Å²	112	133.4 Å²	133.4	73%	0.727	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-59.2	120.3	161.7	26.8	-32	0	0	0	107.2	V947	P945-V947 VanDerWaalsContact C-N 3.28Å; P945-V947 PolarHBondContact O-N 3.49Å
946	H	24.3	Very low	25.9	Very low	174 Å²	174	134 Å²	134	81%	0.806	75%	0.745	S	S	*	*			trans	-62.6	95.9	167.8	-91.8	-98.7	0	0	0	107.9	L944 S948	L944-H946 PolarHBondContact O-N 3.31Å; L944-H946 VanDerWaalsContact O-N 3.09Å; H946-S948 PolarHBondContact O-N 3.46Å
947	V	25.4	Very low	26.2	Very low	114 Å²	114	137.2 Å²	137.2	69%	0.691	76%	0.755	S	S	*	*			trans	-71.8	84.4	167.8	-178.8	0	0	0	0	106.9	P945 F949	P945-V947 VanDerWaalsContact C-N 3.28Å; P945-V947 PolarHBondContact O-N 3.49Å; V947-F949 PolarHBondContact O-N 2.83Å; V947-F949 VanDerWaalsContact O-N 3.12Å
948	S	28.2	Very low	26.5	Very low	98 Å²	98	139.1 Å²	139.1	69%	0.685	76%	0.757	S	S	*	*			trans	-55.7	114.4	167.2	-62.1	0	0	0	0	108.4	H946 A950	H946-S948 PolarHBondContact O-N 3.46Å; S948-A950 PolarHBondContact O-N 3.15Å
949	F	24	Very low	26.8	Very low	206 Å²	206	135.3 Å²	135.3	90%	0.904	76%	0.762	S	S	*	*			trans	-69.3	75.3	170.8	-92.4	-95.1	0	0	0	109.9	V947	V947-F949 PolarHBondContact O-N 2.83Å; V947-F949 VanDerWaalsContact O-N 3.12Å
950	A	28.2	Very low	27.1	Very low	74 Å²	74	134.7 Å²	134.7	61%	0.612	77%	0.765	S	S	*	*			trans	-85.1	123.7	163.7	0	0	0	0	0	108.2	S948 T952	S948-A950 PolarHBondContact O-N 3.15Å; A950-T952 PolarHBondContact O-N 3.28Å; A950-T952 VanDerWaalsContact O-N 3.11Å
951	P	26.2	Very low	27.5	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	78%	0.779	S	S	*	*			trans	-71.6	108.3	179.7	28.3	-33	0	0	0	109.8	T953	P951-T953 PolarHBondContact O-N 3.41Å
952	T	27.4	Very low	28	Very low	131 Å²	131	138.1 Å²	138.1	80%	0.804	77%	0.774	S	S	*	*			trans	-70.9	92	173.4	37.7	0	0	0	0	110.5	A950 F954	A950-T952 PolarHBondContact O-N 3.28Å; A950-T952 VanDerWaalsContact O-N 3.11Å; T952-F954 PolarHBondContact O-N 2.66Å
953	T	27.8	Very low	28.3	Very low	111 Å²	111	136.8 Å²	136.8	68%	0.681	78%	0.775	S	S	*	*			trans	-54.2	124.9	167.5	45.6	0	0	0	0	110.6	P951 T955	P951-T953 PolarHBondContact O-N 3.41Å; T953-T955 PolarHBondContact O-N 3.37Å
954	F	27.9	Very low	28.8	Very low	193 Å²	193	133.4 Å²	133.4	85%	0.846	77%	0.771	S	S	*	*			trans	-69.6	87.7	172.7	-94.3	-90.5	0	0	0	110.9	T952 N956	T952-F954 PolarHBondContact O-N 2.66Å; F954-N956 VanDerWaalsContact C-N 3.28Å; F954-N956 PolarHBondContact O-N 3.48Å; F954-N956 VanDerWaalsContact O-N 3.12Å
955	T	28.9	Very low	29.1	Very low	113 Å²	113	136.9 Å²	136.9	69%	0.693	77%	0.774	S	S	*	*			trans	-83.4	70.7	170	55.7	0	0	0	0	110.5	T953 N957	T953-T955 PolarHBondContact O-N 3.37Å; T955-N957 PolarHBondContact O-N 3.19Å
956	N	30.7	Very low	29.4	Very low	142 Å²	142	138 Å²	138	76%	0.759	77%	0.774	S	S	*	*			trans	-72.9	112.7	165.2	-89.4	-2.8	0	0	0	108.8	F954	F954-N956 VanDerWaalsContact C-N 3.28Å; F954-N956 PolarHBondContact O-N 3.48Å; F954-N956 VanDerWaalsContact O-N 3.12Å
957	N	32.5	Very low	29.7	Very low	157 Å²	157	135.3 Å²	135.3	84%	0.84	77%	0.77	S	S	*	*			trans	-64.7	138.6	178.1	-80.3	-24.1	0	0	0	111.6	T955	T955-N957 PolarHBondContact O-N 3.19Å
958	S	27.9	Very low	30.2	Very low	120 Å²	120	136.4 Å²	136.4	84%	0.839	77%	0.771	S	S	*	*			trans	-71.4	124.1	-179.4	53.1	0	0	0	0	112.5
959	A	33.1	Very low	30.4	Very low	101 Å²	101	138.1 Å²	138.1	84%	0.835	77%	0.768	S	S	*	*			trans	-127.8	108.1	165.5	0	0	0	0	0	109.7
960	T	29.9	Very low	30.8	Very low	136 Å²	136	138.5 Å²	138.5	83%	0.834	76%	0.763	S	S	*	*			trans	-64.7	129.5	-172.9	47.5	0	0	0	0	115.5
961	I	33.2	Very low	31	Very low	165 Å²	165	138.2 Å²	138.2	85%	0.846	77%	0.768	S	S	*	*			trans	-143.2	138	148.3	-60	-172.9	0	0	0	108.3
962	P	33.3	Very low	31.2	Very low	106 Å²	106	137.8 Å²	137.8	69%	0.688	77%	0.768	S	S	*	*			trans	-103.2	173	-174.7	40.3	-36.7	0	0	0	115.5
963	E	31.5	Very low	31.5	Very low	185 Å²	185	138.2 Å²	138.2	86%	0.864	76%	0.764	S	S	*	*			trans	57.3	126.7	155.1	-75.8	-176.6	-179.5	0	0	119.2
964	S	33	Very low	31.6	Very low	102 Å²	102	143.2 Å²	143.2	71%	0.713	77%	0.772	S	S	*	*			cis	176.5	156.2	36.6	47.3	0	0	0	0	113.4
965	R	31.5	Very low	32.2	Very low	214 Å²	214	138.8 Å²	138.8	81%	0.808	76%	0.762	S	S	*	*			trans	52.2	122.9	144.3	-76.1	-177.5	169.4	152.3	-0.8	123.7
966	N	31.7	Very low	32.2	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	77%	0.767	S	S	*	*				72.8	150.1	129.5	-61.2	9.2	0	0	0	118.8
967	T	32.1	Very low	32.2	Very low	119 Å²	119	138 Å²	138	73%	0.73	77%	0.768	S	S	*	*			cis	-172.5	174.4	-17	37.4	0	0	0	0	106.6
968	I	34.5	Very low	32.6	Very low	136 Å²	136	135.8 Å²	135.8	70%	0.697	76%	0.762	S	S	*	*			cis	-157.5	154.6	11.3	-141	170.4	0	0	0	110.4
969	E	33.7	Very low	32.6	Very low	135 Å²	135	135.1 Å²	135.1	63%	0.631	76%	0.757	S	S	*	*			trans	58.8	155	162.4	-69.2	-167.4	123.3	0	0	119.6
970	R	32.4	Very low	32.4	Very low	214 Å²	214	135.8 Å²	135.8	81%	0.808	75%	0.754	S	S	*	*			cis	-153.7	150.5	-5.9	-107.6	160.8	-157.4	166.9	17.5	105.5
971	G	31.3	Very low	32.3	Very low	68 Å²	68	138.3 Å²	138.3	70%	0.701	76%	0.756	S	S	*	*			cis	159.8	168.6	-3.3	0	0	0	0	0	110.4
972	S	31.9	Very low	32.6	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	75%	0.753	S	S	*	*			trans	71.5	132.1	164.8	-166.9	0	0	0	0	118.9
973	L	32.6	Very low	32.3	Very low	139 Å²	139	134.2 Å²	134.2	73%	0.728	75%	0.753	S	S	*	*			cis	-161.4	118.2	-18.5	-125.6	128.8	0	0	0	111.9
974	Y	29.7	Very low	32.1	Very low	216 Å²	216	133.7 Å²	133.7	85%	0.847	75%	0.754	S	S	*	*			trans	61.8	157.1	144.5	-74.5	-105.5	0	0	0	124.9
975	P	40.7	Very low	32	Very low	100 Å²	100	136.4 Å²	136.4	65%	0.649	76%	0.759	S	S	*	*			trans	-137.6	-148.5	-161.4	37.7	-12.3	0	0	0	114.4
976	T	29.8	Very low	31.8	Very low	130 Å²	130	137.1 Å²	137.1	80%	0.798	76%	0.762	S	S	*	*			trans	78	145.4	169	71	0	0	0	0	117
977	S	30.9	Very low	31.9	Very low	109 Å²	109	137.2 Å²	137.2	76%	0.762	77%	0.768	S	S	*	*			cis	-152.7	-147.2	-10.7	48.6	0	0	0	0	111.8
978	P	40.6	Very low	32	Very low	110 Å²	110	137.6 Å²	137.6	71%	0.714	77%	0.772	S	S	*	*				-134	-174	-115.2	42.4	-21.9	0	0	0	118.5
979	S	28	Very low	31.8	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	78%	0.776	S	S	*	*			trans	101.1	149.6	144.6	77.9	0	0	0	0	122.6
980	C	27.6	Very low	31.8	Very low	115 Å²	115	138.3 Å²	138.3	78%	0.777	79%	0.79	S	S	*	*			trans	73.3	106.5	157.6	-67.5	0	0	0	0	123.2
981	E	27.5	Very low	31.6	Very low	189 Å²	189	131.2 Å²	131.2	88%	0.883	78%	0.784	S	S	*	*				57.7	161.8	123.9	-81.8	-143.4	113.4	0	0	123.1
982	P	40.4	Very low	31.6	Very low	119 Å²	119	140.2 Å²	140.2	77%	0.773	80%	0.796	S	S	*	*			trans	-97.9	158.2	-147	37.6	-36.8	0	0	0	115.9
983	G	27.7	Very low	31.4	Very low	67 Å²	67	146.6 Å²	146.6	69%	0.691	80%	0.803	S	S	*	*			trans	-153.7	143.8	174	0	0	0	0	0	114.2	I985	G983-I985 PolarHBondContact O-N 3.04Å
984	I	26.2	Very low	31.4	Very low	174 Å²	174	147.6 Å²	147.6	89%	0.892	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.1	118.5	172.1	-64	163.3	0	0	0	108.5
985	I	31.5	Very low	31.6	Very low	158 Å²	158	143.2 Å²	143.2	81%	0.81	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-99.6	117.5	179	-64.7	179.5	0	0	0	110.6	G983	G983-I985 PolarHBondContact O-N 3.04Å
986	R	27	Very low	30.9	Very low	229 Å²	229	144 Å²	144	86%	0.864	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-76.7	141.6	163.8	-63.8	171	174.9	159.6	-3.6	109	P988	R986-P988 WeakPolarHBondContact O-CD 3.38Å
987	T	34	Very low	30.9	Very low	137 Å²	137	142.6 Å²	142.6	84%	0.84	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72	120.7	169.9	47.8	0	0	0	0	110.8
988	P	34.7	Very low	30.8	Very low	127 Å²	127	145.5 Å²	145.5	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-84.7	153.6	173	34.7	-33.4	0	0	0	111.7	R986	R986-P988 WeakPolarHBondContact O-CD 3.38Å
989	S	29.6	Very low	30.3	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	82%	0.821	S	S	*	*			trans	-107.2	121.3	-179.2	54.7	0	0	0	0	112.2
990	D	33	Very low	30.5	Very low	175 Å²	175	149.6 Å²	149.6	94%	0.936	82%	0.82	S	S	*	*			trans	178.7	149	144.3	-101.6	-27.3	0	0	0	109.3
991	G	29.7	Very low	30.5	Very low	65 Å²	65	151 Å²	151	67%	0.67	82%	0.82	S	S	*	*			cis	176.2	126.3	-8.2	0	0	0	0	0	110.3
992	R	30.8	Very low	30.7	Very low	256 Å²	256	148.9 Å²	148.9	97%	0.966	82%	0.82	S	S	*	*			trans	-147.6	114.5	174.8	-131.1	178.3	-170.2	-172.7	2.7	111.9
993	R	28.1	Very low	30.3	Very low	246 Å²	246	148.5 Å²	148.5	93%	0.928	82%	0.815	S	S	*	*			trans	-84	123.3	177.3	-57	175.9	-176.2	176.4	-0.2	110.8
994	I	32.9	Very low	30.4	Very low	161 Å²	161	153.3 Å²	153.3	83%	0.826	82%	0.819	S	S	*	*			trans	-142.6	132.8	143.6	-61.5	-171.7	0	0	0	105.5
995	P	32.2	Very low	30.7	Very low	124 Å²	124	153 Å²	153	81%	0.805	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.5	143	-170.2	31.4	-35.4	0	0	0	113.5
996	S	26.8	Very low	30.7	Very low	117 Å²	117	152.7 Å²	152.7	82%	0.818	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.6	126.1	168.5	51.9	0	0	0	0	111.2
997	A	30.2	Very low	31	Very low	100 Å²	100	149.4 Å²	149.4	83%	0.826	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-86.6	155.4	166.4	0	0	0	0	0	111
998	H	28.9	Very low	31	Very low	169 Å²	169	150.2 Å²	150.2	78%	0.782	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60.2	150.9	-172.7	-79.8	-117.4	0	0	0	114.8
999	F	29.3	Very low	30.9	Very low	187 Å²	187	150.1 Å²	150.1	82%	0.82	80%	0.801	S	S	*	*			trans	-132.4	128.6	147.3	-139.2	-85.5	0	0	0	108.1
1000	T	32.8	Very low	31	Very low	115 Å²	115	151.2 Å²	151.2	71%	0.706	80%	0.802	S	S	*	*			trans	-151.1	112	-179.3	46.7	0	0	0	0	109.4
1001	D	26.9	Very low	31	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	78%	0.784	S	S	*	*			trans	-84	124.9	171	-71.4	-48	0	0	0	110.8
1002	V	31.6	Very low	31.1	Very low	145 Å²	145	149 Å²	149	88%	0.879	79%	0.793	S	S	*	*			trans	-145.2	150.7	152.8	-175.8	0	0	0	0	107.2
1003	T	32	Very low	31.5	Very low	111 Å²	111	142.4 Å²	142.4	68%	0.681	78%	0.784	S	S	*	*			trans	-97.6	157.6	-166.2	54.3	0	0	0	0	115.9
1004	E	29.5	Very low	31.7	Very low	167 Å²	167	141.8 Å²	141.8	78%	0.78	78%	0.781	S	S	*	*			trans	82.5	140.4	139.3	-80.7	154.8	162.5	0	0	124
1005	E	32.5	Very low	31.6	Very low	167 Å²	167	139.4 Å²	139.4	78%	0.78	78%	0.779	S	S	*	*			trans	69.6	113.5	154.4	-66.9	178.5	171.4	0	0	122.9
1006	D	31	Very low	31.6	Very low	153 Å²	153	137.6 Å²	137.6	82%	0.818	77%	0.769	S	S	*	*			trans	50.3	125.1	130.3	-57.6	-2.2	0	0	0	122.5
1007	D	34.1	Very low	31.8	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	77%	0.765	S	S	*	*				-168.4	175.7	88.6	-147.7	-20.3	0	0	0	112.1
1008	E	33.8	Very low	31.8	Very low	154 Å²	154	141.9 Å²	141.9	72%	0.72	75%	0.753	S	S	*	*			trans	-81.4	147.9	-174.9	-60.9	-173.7	149	0	0	116.2
1009	N	32.6	Very low	32	Very low	125 Å²	125	139 Å²	139	67%	0.668	75%	0.748	S	S	*	*				155.3	142.8	107.7	-95.4	-67.5	0	0	0	116.5
1010	V	32.4	Very low	32	Very low	134 Å²	134	136.9 Å²	136.9	81%	0.812	75%	0.745	S	S	*	*			trans	33.1	134.3	145.8	-178.1	0	0	0	0	120.2
1011	G	31.9	Very low	32	Very low	54 Å²	54	137.6 Å²	137.6	56%	0.557	75%	0.749	S	S	*	*			cis	161.1	138.4	0.8	0	0	0	0	0	111.6
1012	T	32.1	Very low	32.2	Very low	140 Å²	140	135.6 Å²	135.6	86%	0.859	75%	0.746	S	S	*	*				105.8	154.1	98.8	48.9	0	0	0	0	115.3
1013	P	40.5	Very low	32.2	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	74%	0.737	S	S	*	*			trans	-121.2	-177	-149.6	43.9	-33.6	0	0	0	116.9
1014	R	30.7	Very low	32.2	Very low	232 Å²	232	137.2 Å²	137.2	88%	0.875	74%	0.743	S	S	*	*			trans	-139.5	150.8	159.9	-71.8	-170.8	173.1	152.8	1.4	108.5
1015	S	31.3	Very low	32.5	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	74%	0.741	S	S	*	*			cis	-126	135	45.8	-112.4	0	0	0	0	112.2
1016	C	32.8	Very low	32.7	Very low	86 Å²	86	134.6 Å²	134.6	58%	0.581	74%	0.743	S	S	*	*				73	141.7	72.9	-61.8	0	0	0	0	114.6
1017	R	31.1	Very low	32.8	Very low	199 Å²	199	130.9 Å²	130.9	75%	0.751	74%	0.741	S	S	*	*			cis	-169	158.2	-7.2	-110.2	175	93.3	149.6	10.1	109.6
1018	D	30	Very low	32.9	Very low	107 Å²	107	128.5 Å²	128.5	57%	0.572	74%	0.737	S	S	*	*			trans	52.9	147.9	138.5	-58.3	7.2	0	0	0	120.3
1019	T	33.1	Very low	32.7	Very low	108 Å²	108	130.6 Å²	130.6	66%	0.663	75%	0.747	S	S	*	*			cis	-165.4	154.9	3	10.4	0	0	0	0	112.1
1020	N	29.4	Very low	32.4	Very low	143 Å²	143	128.9 Å²	128.9	77%	0.765	74%	0.744	S	S	*	*			trans	42.7	135.8	143.8	-52.7	-16.6	0	0	0	123.2
1021	V	32.7	Very low	32.4	Very low	131 Å²	131	130.8 Å²	130.8	79%	0.794	74%	0.744	S	S	*	*				160.6	126.2	110.2	162.6	0	0	0	0	113.7
1022	S	31.7	Very low	32.4	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	76%	0.756	S	S	*	*			trans	46.2	118.8	157.1	72.8	0	0	0	0	125
1023	A	31.5	Very low	32.4	Very low	82 Å²	82	135 Å²	135	68%	0.678	75%	0.746	S	S	*	*				55.3	143.8	122.6	0	0	0	0	0	121.3
1024	Y	32.8	Very low	31.8	Very low	209 Å²	209	138.1 Å²	138.1	82%	0.82	74%	0.742	S	S	*	*			cis	-158.8	153.2	40	-108	-81.9	0	0	0	112.8
1025	I	35.6	Very low	31.8	Very low	144 Å²	144	136 Å²	136	74%	0.738	74%	0.736	S	S	*	*			trans	56.7	136.3	151.7	-77.3	156.3	0	0	0	118.3
1026	T	35.1	Very low	32.2	Very low	134 Å²	134	135.8 Å²	135.8	82%	0.822	73%	0.731	S	S	*	*			cis	-166.3	158.3	-17.3	35.4	0	0	0	0	104.3
1027	G	33.2	Very low	32	Very low	76 Å²	76	137.7 Å²	137.7	78%	0.784	75%	0.746	S	S	*	*			cis	170	170.9	6	0	0	0	0	0	105.9
1028	S	36.2	Very low	32.1	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	75%	0.75	S	S	*	*			cis	-152.7	126.2	3.9	53.1	0	0	0	0	111
1029	E	30.8	Very low	32.1	Very low	199 Å²	199	135.5 Å²	135.5	93%	0.93	76%	0.763	S	S	*	*			trans	54.5	155.6	139	-56.9	-166.2	136.2	0	0	123.6
1030	S	26.8	Very low	32.1	Very low	88 Å²	88	136.8 Å²	136.8	62%	0.615	76%	0.764	S	S	*	*			trans	-147.9	-173.7	-177.3	56.1	0	0	0	0	109.6
1031	H	31	Very low	32.1	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.806	76%	0.761	S	S	*	*			trans	72.2	174.3	179.5	-41.9	-66.2	0	0	0	113.9
1032	I	32.2	Very low	32.1	Very low	157 Å²	157	135.9 Å²	135.9	81%	0.805	76%	0.764	S	S	*	*			cis	-159.6	170.3	10.1	-149.2	155.8	0	0	0	109.4
1033	I	31.2	Very low	32	Very low	126 Å²	126	134.9 Å²	134.9	65%	0.646	77%	0.77	S	S	*	*				-156.6	165.1	-68.7	-156.4	178.5	0	0	0	110
1034	R	28.6	Very low	32	Very low	183 Å²	183	135.1 Å²	135.1	69%	0.691	78%	0.781	S	S	*	*			trans	70.7	164.4	164.7	-73.3	166.9	179.9	-175.1	-1.1	116.7
1035	Y	30.6	Very low	31.9	Very low	188 Å²	188	128.7 Å²	128.7	74%	0.737	78%	0.778	S	S	*	*			cis	-148.3	-171.2	2.6	-116.6	-21.2	0	0	0	111.5
1036	P	40.3	Very low	31.9	Very low	107 Å²	107	129.4 Å²	129.4	70%	0.695	78%	0.781	S	S	*	*			trans	-122.6	-170.3	-144	47.2	-35.7	0	0	0	118.3
1037	S	29.2	Very low	31.7	Very low	126 Å²	126	129.3 Å²	129.3	88%	0.881	78%	0.775	S	S	*	*			trans	100.2	130	164.3	76.7	0	0	0	0	117
1038	G	31.7	Very low	31.6	Very low	82 Å²	82	132.4 Å²	132.4	85%	0.845	78%	0.778	S	S	*	*			trans	156.3	124.6	-178.9	0	0	0	0	0	114.5
1039	Q	30.9	Very low	31.4	Very low	179 Å²	179	135 Å²	135	84%	0.836	78%	0.783	S	S	*	*			trans	-64.3	159.5	-178.6	-87	173.3	-25.7	0	0	117.8
1040	I	31.7	Very low	31.5	Very low	135 Å²	135	131.5 Å²	131.5	69%	0.692	78%	0.78	S	S	*	*			trans	83.7	130.7	138.2	-74.2	163.1	0	0	0	121.2
1041	T	30.6	Very low	31.7	Very low	115 Å²	115	130.8 Å²	130.8	71%	0.706	79%	0.786	S	S	*	*			trans	73.2	127.1	159.3	43	0	0	0	0	125
1042	T	31.8	Very low	31.6	Very low	140 Å²	140	128.3 Å²	128.3	86%	0.859	79%	0.789	S	S	*	*			trans	62.4	129.4	138.1	59.2	0	0	0	0	123.6
1043	G	31	Very low	31.9	Very low	80 Å²	80	126.8 Å²	126.8	83%	0.825	79%	0.789	S	S	*	*			trans	140.3	85.7	131	0	0	0	0	0	120.3
1044	G	30.5	Very low	31.7	Very low	88 Å²	88	126.3 Å²	126.3	91%	0.907	80%	0.797	S	S	*	*			trans	42.9	120.4	145.2	0	0	0	0	0	124.4
1045	G	31.2	Very low	31.9	Very low	73 Å²	73	124.3 Å²	124.3	75%	0.753	81%	0.805	S	S	*	*			trans	119.3	163.4	132.1	0	0	0	0	0	118.8
1046	I	34.3	Very low	31.9	Very low	160 Å²	160	126.3 Å²	126.3	82%	0.821	81%	0.811	S	S	*	*			cis	-160.2	147.5	-19.8	-131	164.9	0	0	0	112.1
1047	I	32.8	Very low	31.8	Very low	132 Å²	132	126.1 Å²	126.1	68%	0.677	81%	0.81	S	S	*	*			trans	32.9	124.2	163.4	-59.2	168.6	0	0	0	120.9	L1049	I1047-L1049 HydrophobicContact CG2-CD1 4.44Å; I1047-L1049 HydrophobicContact CG2-CG 4.08Å
1048	T	30.3	Very low	31.9	Very low	140 Å²	140	127.9 Å²	127.9	86%	0.859	80%	0.804	S	S	*	*			trans	-123	161.7	141.7	47.7	0	0	0	0	109.4
1049	L	32.6	Very low	31.9	Very low	164 Å²	164	132.1 Å²	132.1	86%	0.859	80%	0.802	S	S	*	*			trans	-134.3	132	-177.3	-83.1	169.8	0	0	0	112.6	I1047	I1047-L1049 HydrophobicContact CG2-CD1 4.44Å; I1047-L1049 HydrophobicContact CG2-CG 4.08Å
1050	S	32.2	Very low	32	Very low	125 Å²	125	126.8 Å²	126.8	87%	0.874	79%	0.794	S	S	*	*			trans	-142.3	147.5	151.8	92.9	0	0	0	0	107.3
1051	G	31.5	Very low	31.9	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	81%	0.806	S	S	*	*			trans	-143.9	120.5	-168.8	0	0	0	0	0	114.5
1052	S	29.2	Very low	31.9	Very low	122 Å²	122	128.3 Å²	128.3	85%	0.853	81%	0.807	S	S	*	*			trans	-154.5	151.6	151.3	-80.4	0	0	0	0	108.6
1053	P	37.5	Very low	32	Very low	125 Å²	125	131.6 Å²	131.6	81%	0.812	81%	0.805	S	S	*	*			trans	-118.7	143.8	-142.6	37.7	-27.3	0	0	0	115.8
1054	S	26.8	Very low	32.2	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	81%	0.805	S	S	*	*			trans	-173.8	158.9	136.8	-168.1	0	0	0	0	111.6
1055	V	33.3	Very low	32.3	Very low	140 Å²	140	138.8 Å²	138.8	85%	0.848	80%	0.798	S	S	*	*			trans	123.9	148.7	162.5	176.7	0	0	0	0	114.3
1056	R	30.3	Very low	32.5	Very low	231 Å²	231	142.3 Å²	142.3	87%	0.872	80%	0.798	S	S	*	*			trans	-113.8	-167.6	-160.1	-148.8	-173.8	-177.5	177.6	1.2	109.9
1057	P	38.4	Very low	32.6	Very low	102 Å²	102	142 Å²	142	66%	0.662	79%	0.793	S	S	*	*				-112.8	-176.1	-99.7	40.3	-27	0	0	0	116
1058	Q	30.6	Very low	32.6	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.762	80%	0.796	S	S	*	*			trans	126.8	137.4	138.5	-90.7	178.6	7	0	0	119.5
1059	H	32.9	Very low	32.8	Very low	172 Å²	172	142.2 Å²	142.2	80%	0.796	79%	0.789	S	S	*	*			trans	51.2	144.1	161.1	-64.7	-74	0	0	0	121.2
1060	G	31.7	Very low	33	Very low	66 Å²	66	139.9 Å²	139.9	68%	0.68	79%	0.787	S	S	*	*			cis	170.9	135	-11.2	0	0	0	0	0	116.6
1061	L	30.8	Very low	32.8	Very low	180 Å²	180	141.3 Å²	141.3	94%	0.942	79%	0.785	S	S	*	*			trans	57.2	130	149	-65.8	172.2	0	0	0	123.7
1062	S	30	Very low	33.3	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	78%	0.778	S	S	*	*			trans	-176.1	133.3	154.1	174.5	0	0	0	0	106.8
1063	Y	33.5	Very low	33.5	Very low	209 Å²	209	141.4 Å²	141.4	82%	0.82	77%	0.772	S	S	*	*			cis	-144.3	-163.6	-7.4	-121.1	-42.1	0	0	0	107.2
1064	Q	36.1	Very low	33.1	Very low	178 Å²	178	143.6 Å²	143.6	83%	0.832	78%	0.776	S	S	*	*			cis	-132.7	-134.8	15.2	-157.5	169.9	4.6	0	0	110.6
1065	N	31.4	Very low	33.3	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	77%	0.771	S	S	*	*			trans	-162.6	-175.9	-173.9	-134.9	-27.4	0	0	0	116.2
1066	I	36.3	Very low	33.1	Very low	147 Å²	147	139.9 Å²	139.9	75%	0.754	77%	0.767	S	S	*	*			trans	88.6	118.3	-171.3	-59.8	172.2	0	0	0	110.5
1067	Q	35.3	Very low	33.1	Very low	154 Å²	154	135.6 Å²	135.6	72%	0.72	77%	0.766	S	S	*	*			cis	-152	178.2	-4.2	-117.8	179.2	7	0	0	108
1068	Q	34.7	Very low	33.2	Very low	161 Å²	161	135.5 Å²	135.5	75%	0.752	77%	0.766	S	S	*	*			cis	-148.3	-144.9	19.3	-148.8	173.8	-10.5	0	0	112.9
1069	T	34	Very low	33.2	Very low	115 Å²	115	134.2 Å²	134.2	71%	0.706	76%	0.764	S	S	*	*			trans	-62.5	152.7	177.2	41.9	0	0	0	0	115.6
1070	S	37.1	Very low	33.2	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	76%	0.757	S	S	*	*			cis	-164.5	149.4	-3.5	44.2	0	0	0	0	112
1071	D	26.9	Very low	33.1	Very low	156 Å²	156	135.7 Å²	135.7	83%	0.834	76%	0.761	S	S	*	*			trans	-121.2	-173.1	-175	-129	-17.5	0	0	0	109.1
1072	P	43.3	Very low	33.2	Very low	94 Å²	94	132.8 Å²	132.8	61%	0.61	76%	0.756	S	S	*	*			cis	-140	-165.6	-20.6	34.7	-12.8	0	0	0	114.5
1073	S	32.4	Very low	33.3	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	76%	0.759	S	S	*	*			trans	84.9	149.7	138.8	83.5	0	0	0	0	120.3
1074	L	30.2	Very low	33.5	Very low	171 Å²	171	130.2 Å²	130.2	90%	0.895	75%	0.754	S	S	*	*			cis	-157.8	148	-11.6	-146.6	74.3	0	0	0	112.5
1075	G	30.7	Very low	33.4	Very low	70 Å²	70	129 Å²	129	72%	0.722	75%	0.751	S	S	*	*			trans	68.5	-175.4	157.3	0	0	0	0	0	118.8
1076	S	29.3	Very low	33.3	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	76%	0.757	S	S	*	*			cis	177.5	117.9	-36.9	49	0	0	0	0	113
1077	V	29.5	Very low	33.4	Very low	140 Å²	140	131.2 Å²	131.2	85%	0.848	75%	0.753	S	S	*	*			trans	70.7	174.6	158.4	-156.6	0	0	0	0	112.7
1078	P	40.8	Very low	33.2	Very low	101 Å²	101	130.5 Å²	130.5	66%	0.656	75%	0.754	S	S	*	*				-127.3	-168	-85.8	45.1	-29.4	0	0	0	116.5
1079	N	30.7	Very low	33.3	Very low	135 Å²	135	130.3 Å²	130.3	72%	0.722	76%	0.758	S	S	*	*			trans	84.2	124.7	148.2	-86.5	7.3	0	0	0	123.5
1080	I	32.5	Very low	33.3	Very low	128 Å²	128	130.4 Å²	130.4	66%	0.656	76%	0.76	S	S	*	*				79.9	128.7	127.3	-66.8	175.4	0	0	0	120.6
1081	D	29.5	Very low	33.5	Very low	142 Å²	142	130.5 Å²	130.5	76%	0.759	76%	0.758	S	S	*	*			trans	52.6	140	161.4	-54	-11.2	0	0	0	119.7
1082	S	33.4	Very low	34	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	76%	0.759	S	S	*	*			cis	-148.1	162.8	33.8	-49.7	0	0	0	0	115.4
1083	D	31	Very low	33.6	Very low	147 Å²	147	132.8 Å²	132.8	79%	0.786	77%	0.77	S	S	*	*			trans	-52.1	173.8	168.9	-84.9	-56.7	0	0	0	116.7
1084	P	38.3	Very low	33.7	Very low	110 Å²	110	137.9 Å²	137.9	71%	0.714	80%	0.804	S	S	*	*			cis	-145.8	-175.9	25.3	34.1	-9.1	0	0	0	119.9
1085	I	35	Very low	33.9	Very low	153 Å²	153	136.2 Å²	136.2	79%	0.785	80%	0.799	S	S	*	*			trans	105.4	106.1	154.8	-53.2	-176.7	0	0	0	117.6
1086	W	27.5	Very low	34.1	Very low	231 Å²	231	139.7 Å²	139.7	88%	0.875	80%	0.803	S	S	*	*			trans	-94.6	-174.7	160.1	-67.6	21	0	0	0	110.1
1087	P	38.6	Very low	34.3	Very low	102 Å²	102	141.4 Å²	141.4	66%	0.662	81%	0.805	S	S	*	*			cis	-117.3	-167.6	-11	24.7	1.3	0	0	0	110.9
1088	D	32.2	Very low	34.6	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	80%	0.803	S	S	*	*				-174.9	169.9	56.2	-115.3	-36.6	0	0	0	113.8
1089	L	36	Very low	34.2	Very low	158 Å²	158	144 Å²	144	83%	0.827	81%	0.812	S	S	*	*			trans	69.8	108.3	160.8	-69.2	159.3	0	0	0	122
1090	P	34.1	Very low	34.5	Very low	117 Å²	117	144.6 Å²	144.6	76%	0.76	82%	0.818	S	S	*	*			trans	-107.9	-175.6	142	41	-32.6	0	0	0	110.9
1091	P	41.1	Very low	34.6	Very low	116 Å²	116	145.8 Å²	145.8	75%	0.753	83%	0.83	S	S	*	*			cis	-128.4	157.6	-16.4	37.3	-22.4	0	0	0	114.6
1092	T	37.4	Very low	35	Very low	140 Å²	140	146.1 Å²	146.1	86%	0.859	84%	0.835	S	S	*	*			trans	-151.9	141.2	152.5	39.6	0	0	0	0	112.7
1093	N	34.1	Very low	35.1	Very low	158 Å²	158	148.3 Å²	148.3	85%	0.845	84%	0.835	S	S	*	*			trans	-24.3	134.2	173.9	-49.8	-14.2	0	0	0	118.9
1094	C	36.1	Very low	35.5	Very low	209 Å²	209	148.5 Å²	148.5	100%	1.412	84%	0.84	S	S	*	*				-150.2	0	126.1	-101	0	0	0	0	108.3

Retrieved 1,094 of 1,094 residues in 476 ms (Link to these results)

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