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Tyrosine--tRNA ligase

Catalyzes the attachment of tyrosine to tRNA(Tyr) in a two-step reaction: tyrosine is first activated by ATP to form Tyr-AMP and then transferred to the acceptor end of tRNA(Tyr).

AlphaFold DB , UniProt , Accession A0A2K5N519, Species CERAT (Cercocebus atys, Sooty mangabey), Gene YARS2, Length 477 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	29	Very low	241 Å²	241	164.4 Å²	164.4	100%	1.187	86%	0.861	S	S	*	*				0	100.1	0	-62.5	-178.5	-147.8	0	0	106.2
2	A	29.8	Very low	28.7	Very low	102 Å²	102	156.8 Å²	156.8	84%	0.843	85%	0.853	S	S	*	*				105.3	107.7	97.4	0	0	0	0	0	109.6
3	A	27.1	Very low	28.5	Very low	93 Å²	93	163.9 Å²	163.9	77%	0.769	86%	0.86	S	S	*	*			trans	-70.2	-174.8	152.3	0	0	0	0	0	108.8
4	P	47.9	Very low	28.3	Very low	106 Å²	106	171 Å²	171	69%	0.688	87%	0.869	S	S	*	*			cis	-140.5	-167.6	2.9	36	-12.8	0	0	0	113.2
5	I	27.9	Very low	28.3	Very low	170 Å²	170	167.3 Å²	167.3	87%	0.872	87%	0.866	S	S	*	*				-171.4	137.3	127.4	-89.4	151	0	0	0	110.7
6	F	25.5	Very low	28	Very low	191 Å²	191	161.8 Å²	161.8	84%	0.838	86%	0.862	S	S	*	*			trans	-79.8	162	-179.1	-103.3	-102	0	0	0	114.8
7	R	27.6	Very low	28	Very low	242 Å²	242	159.9 Å²	159.9	91%	0.913	86%	0.859	S	S	*	*			trans	132.1	136.8	146.4	-76	178.5	178.8	-158.8	0.5	109.9
8	S	26	Very low	27.8	Very low	112 Å²	112	159.7 Å²	159.7	78%	0.783	86%	0.856	S	S	*	*			cis	-163.8	151.8	15.9	43.8	0	0	0	0	110
9	F	24	Very low	27.6	Very low	193 Å²	193	158.7 Å²	158.7	85%	0.846	85%	0.851	S	S	*	*			trans	-65.6	141.8	168	-96.3	-103.9	0	0	0	112.3
10	S	24.3	Very low	27.6	Very low	118 Å²	118	158.7 Å²	158.7	83%	0.825	85%	0.849	S	S	*	*			trans	-142.9	133	146.6	77.9	0	0	0	0	109.9
11	W	25.8	Very low	27.7	Very low	240 Å²	240	155.4 Å²	155.4	91%	0.909	84%	0.839	S	S	*	*			trans	-81.8	136.5	177.3	-92.4	34.5	0	0	0	110.4
12	G	25.7	Very low	27.4	Very low	74 Å²	74	149.6 Å²	149.6	76%	0.763	82%	0.817	S	S	*	*			trans	-161.9	87.2	176.2	0	0	0	0	0	114.1
13	R	25.9	Very low	27.5	Very low	249 Å²	249	154.4 Å²	154.4	94%	0.94	82%	0.819	S	S	*	*			trans	51.1	116.2	152.1	-73.2	-177	178.1	-160.3	-1.2	120.7
14	W	25.7	Very low	27.6	Very low	263 Å²	263	157.3 Å²	157.3	100%	0.996	82%	0.821	S	S	*	*			trans	-64.7	128.8	163.8	-72.2	30.6	0	0	0	112.2
15	S	27.8	Very low	26.7	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	82%	0.822	S	S	*	*			trans	-139.6	101.9	151.6	56	0	0	0	0	107.5
16	G	24.5	Very low	27	Very low	79 Å²	79	156.4 Å²	156.4	81%	0.814	82%	0.818	S	S	*	*			trans	-93.7	99.4	-174.4	0	0	0	0	0	111.5
17	T	26.9	Very low	27.3	Very low	130 Å²	130	150.3 Å²	150.3	80%	0.798	81%	0.808	S	S	*	*			trans	-95.8	104	153.9	39.6	0	0	0	0	107.8	N19	T17-N19 VanDerWaalsContact C-N 3.34Å; T17-N19 PolarHBondContact O-N 3.14Å
18	L	25.8	Very low	27.4	Very low	156 Å²	156	146.5 Å²	146.5	82%	0.817	81%	0.805	S	S	*	*			trans	-70.8	88.4	175	-101.7	123.4	0	0	0	110	L20	L18-L20 HydrophobicContact CD2-CD1 4.43Å; L18-L20 HydrophobicContact CD2-CG 4.38Å; L18-L20 PolarHBondContact O-N 3.29Å
19	N	24.2	Very low	28	Very low	140 Å²	140	151.6 Å²	151.6	75%	0.749	81%	0.807	S	S	*	*			trans	-74.8	97.3	159.3	-100.8	-22.8	0	0	0	108.4	T17 S21	T17-N19 VanDerWaalsContact C-N 3.34Å; T17-N19 PolarHBondContact O-N 3.14Å; N19-S21 PolarHBondContact O-N 3.07Å
20	L	27.6	Very low	28.4	Very low	158 Å²	158	151.3 Å²	151.3	83%	0.827	81%	0.805	S	S	*	*			trans	-78.8	75.9	168.6	-90	153.9	0	0	0	109.6	L18	L18-L20 HydrophobicContact CD2-CD1 4.43Å; L18-L20 HydrophobicContact CD2-CG 4.38Å; L18-L20 PolarHBondContact O-N 3.29Å
21	S	29.1	Very low	29	Very low	90 Å²	90	148.9 Å²	148.9	63%	0.629	79%	0.793	S	S	*	*			trans	-134.4	64.1	163.6	49.8	0	0	0	0	109.5	N19	N19-S21 PolarHBondContact O-N 3.07Å
22	V	27.3	Very low	29.8	Very low	120 Å²	120	142.1 Å²	142.1	73%	0.727	77%	0.771	S	S	*	*			trans	-97.3	99.2	166.7	-179	0	0	0	0	107.4	L24	V22-L24 PolarHBondContact O-N 3.12Å
23	F	31.6	Very low	30.4	Very low	203 Å²	203	143.8 Å²	143.8	89%	0.89	77%	0.771	S	S	*	*			trans	-56.5	111.4	161.8	-91.1	-99.3	0	0	0	108.6
24	L	27.8	Very low	31.1	Very low	153 Å²	153	133.6 Å²	133.6	80%	0.801	74%	0.744	S	S	*	*			trans	-86.6	140.2	166.7	-96.3	143.8	0	0	0	109.6	V22	V22-L24 PolarHBondContact O-N 3.12Å
25	P	29	Very low	31.8	Very low	111 Å²	111	123.1 Å²	123.1	72%	0.721	71%	0.709	S	S	*	*			trans	-73.5	153.1	-164.8	-10.2	26.7	0	0	0	112.9	G27	P25-G27 PolarHBondContact O-N 3.05Å
26	L	35.8	Very low	32.9	Very low	147 Å²	147	125.5 Å²	125.5	77%	0.77	71%	0.708	S	S	*	*	S	Bend	trans	-45.1	109.1	168.5	-79.3	84.9	0	0	0	111.7
27	G	30.9	Very low	35.2	Very low	62 Å²	62	122.9 Å²	122.9	64%	0.639	68%	0.681	S	S	*	*			trans	-176	62.6	176.8	0	0	0	0	0	113.6	P25	P25-G27 PolarHBondContact O-N 3.05Å
28	L	30.2	Very low	38	Very low	163 Å²	163	118 Å²	118	85%	0.853	65%	0.65	S	S	*	*			trans	177.7	56.2	151.9	-93.8	157.1	0	0	0	109.4	K30	L28-K30 PolarHBondContact O-N 2.98Å
29	R	37.7	Very low	41	Very low	219 Å²	219	111.1 Å²	111.1	83%	0.826	61%	0.614	S	S	*	*			trans	-88.5	41.6	174	-77.5	-174.6	173.3	-178.2	-1.9	112.5
30	K	33.5	Very low	43.9	Very low	186 Å²	186	107 Å²	107	81%	0.809	60%	0.599	S	S	*	*			trans	-138.3	71.5	172	-94	-172.4	175.4	-179.8	0	109.8	L28	L28-K30 PolarHBondContact O-N 2.98Å
31	A	36.3	Very low	46.8	Very low	67 Å²	67	100.3 Å²	100.3	55%	0.554	57%	0.567	S	S	*	*	S	Bend	trans	-131.9	132	159	0	0	0	0	0	106.5
32	H	43.5	Very low	49.8	Very low	98 Å²	98	96.3 Å²	96.3	45%	0.454	54%	0.538	S	S	.	.	S	Bend	trans	96.9	21.4	175.2	-41.4	-53.8	0	0	0	118.7
33	S	38.3	Very low	52.9	Low	110 Å²	110	96 Å²	96	77%	0.769	53%	0.527	S	S	*	.			trans	-98.8	46.5	173	65.9	0	0	0	0	113.8
34	G	40.5	Very low	55.7	Low	35 Å²	35	89.2 Å²	89.2	36%	0.361	51%	0.508	S	S	.	.	S	Bend	trans	-165.4	154	171.5	0	0	0	0	0	114	Q36 G37	G34-Q36 VanDerWaalsContact C-N 3.28Å; G34-Q36 PolarHBondContact O-N 2.87Å; G34-G37 WeakPolarHBondContact O-CA 3.36Å; G34-G37 PolarHBondContact O-N 3.11Å
35	P	38.9	Very low	58.9	Low	43 Å²	43	83 Å²	83	28%	0.279	47%	0.474	S	S	.	.	H	α-helix	trans	-59.5	-31.5	-176.3	18.3	-30.6	0	0	0	114.4	G37 D66	P35-G37 PolarHBondContact O-N 3.24Å; P35-D66 HydrophobicContact CB-CB 3.64Å; P35-D66 WeakPolarHBondContact CD-OD1 3.28Å; P35-D66 HydrophobicContact CG-CB 4.2Å; P35-D66 WeakPolarHBondContact CG-OD2 3.43Å
36	Q	51.2	Low	61.9	Low	165 Å²	165	79.3 Å²	79.3	77%	0.771	46%	0.457	S	S	*	.	H	α-helix	trans	-76.1	-5.2	172.7	-68	-175	-11	0	0	113.2	G34 A40	G34-Q36 VanDerWaalsContact C-N 3.28Å; G34-Q36 PolarHBondContact O-N 2.87Å; Q36-A40 WeakPolarHBondContact O-CB 3.32Å
37	G	73.5	Confident	64.7	Low	25 Å²	25	72.3 Å²	72.3	26%	0.258	42%	0.42	S	S	.	.	H	α-helix	trans	-85.1	-38.3	-171.4	0	0	0	0	0	115.3	G34 P35 A41	G34-G37 WeakPolarHBondContact O-CA 3.36Å; G34-G37 PolarHBondContact O-N 3.11Å; P35-G37 PolarHBondContact O-N 3.24Å; G37-A41 WeakPolarHBondContact O-CB 3.5Å; G37-A41 PolarHBondContact O-N 3.18Å; G37-A41 VanDerWaalsContact O-N 3.08Å
38	L	85.6	Confident	67.7	Low	26 Å²	26	69.6 Å²	69.6	14%	0.136	39%	0.39	C	S	.	.	H	α-helix	trans	-75.4	-59	-174.8	178.3	60.6	0	0	0	111.5	A40 A41 Q42 F65 L101 A104	L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 2.9Å; L38-A41 PolarHBondContact O-N 2.84Å; L38-Q42 HydrophobicContact CD1-CG 4.32Å; L38-Q42 WeakPolarHBondContact O-CG 3.48Å; L38-Q42 PolarHBondContact O-N 3.23Å; L38-F65 HydrophobicContact CD2-CD1 3.94Å; L38-F65 HydrophobicContact CD2-CE1 4.48Å; L38-L101 HydrophobicContact CD2-CD2 3.66Å; L38-L101 HydrophobicContact CG-CD2 4.32Å; L38-A104 HydrophobicContact CD1-CB 3.83Å; L38-A104 HydrophobicContact CD2-CB 3.5Å; L38-A104 VanDerWaalsContact CD2-CB 3.5Å; L38-A104 HydrophobicContact CG-CB 4.25Å
39	L	87.8	Confident	70.5	Confident	12 Å²	12	67.1 Å²	67.1	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-40.2	-178.1	-58.7	-177.5	0	0	0	111.4	Q42 K43 F48 F51 L61 P62 F65 I269	L39-Q42 PolarHBondContact O-N 2.96Å; L39-K43 WeakPolarHBondContact O-CB 3.39Å; L39-K43 WeakPolarHBondContact O-CG 3.43Å; L39-K43 PolarHBondContact O-N 2.81Å; L39-F48 HydrophobicContact CD2-CD2 4.09Å; L39-F48 HydrophobicContact CD2-CE2 3.93Å; L39-F51 HydrophobicContact CD2-CE1 4.16Å; L39-L61 HydrophobicContact CD1-CD2 4.13Å; L39-L61 HydrophobicContact CD1-CG 3.85Å; L39-P62 HydrophobicContact CD1-CG 4.46Å; L39-F65 HydrophobicContact CD1-CD2 3.86Å; L39-F65 HydrophobicContact CD1-CE2 4.39Å; L39-F65 HydrophobicContact CD2-CD2 3.93Å; L39-F65 HydrophobicContact CD2-CE2 3.97Å; L39-F65 HydrophobicContact CD2-CG 4.32Å; L39-F65 HydrophobicContact CD2-CZ 4.41Å; L39-F65 HydrophobicContact CG-CD2 4.14Å; L39-F65 HydrophobicContact CG-CG 4.45Å; L39-I269 HydrophobicContact CD2-CD1 4.27Å
40	A	86	Confident	72.9	Confident	53 Å²	53	59.7 Å²	59.7	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-39.2	175.6	0	0	0	0	0	112.4	Q36 L38 Q42 K43 A44	Q36-A40 WeakPolarHBondContact O-CB 3.32Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 2.9Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.19Å; A40-K43 PolarHBondContact O-N 3.31Å; A40-A44 WeakPolarHBondContact O-CB 3.49Å; A40-A44 PolarHBondContact O-N 3.39Å
41	A	88.3	Confident	75.6	Confident	18 Å²	18	51.8 Å²	51.8	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-39.2	175.2	0	0	0	0	0	111.9	G37 L38 A44 R45	G37-A41 WeakPolarHBondContact O-CB 3.5Å; G37-A41 PolarHBondContact O-N 3.18Å; G37-A41 VanDerWaalsContact O-N 3.08Å; L38-A41 PolarHBondContact O-N 2.84Å; A41-A44 PolarHBondContact O-N 3.02Å; A41-R45 WeakPolarHBondContact O-CG 3.23Å; A41-R45 PolarHBondContact O-N 2.9Å
42	Q	92.8	Very high	77.9	Confident	7 Å²	7	50 Å²	50	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-72.7	-33.6	176.6	-60.2	-49.6	-34.3	0	0	112.7	L38 L39 A40 R45 G46 L47 F48 H100	L38-Q42 HydrophobicContact CD1-CG 4.32Å; L38-Q42 WeakPolarHBondContact O-CG 3.48Å; L38-Q42 PolarHBondContact O-N 3.23Å; L39-Q42 PolarHBondContact O-N 2.96Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.19Å; Q42-R45 PolarHBondContact O-N 3.26Å; Q42-G46 PolarHBondContact O-N 2.95Å; Q42-L47 PolarHBondContact O-N 3.42Å; Q42-L47 VanDerWaalsContact OE1-CD2 3.31Å; Q42-F48 HydrophobicContact CB-CB 4.15Å; Q42-F48 HydrophobicContact CB-CD1 4.12Å; Q42-F48 HydrophobicContact CB-CD2 3.36Å; Q42-F48 HydrophobicContact CB-CE1 4.37Å; Q42-F48 HydrophobicContact CB-CE2 3.68Å; Q42-F48 HydrophobicContact CB-CG 3.6Å; Q42-F48 HydrophobicContact CB-CZ 4.17Å; Q42-F48 HydrophobicContact CG-CD2 3.96Å; Q42-F48 HydrophobicContact CG-CE1 4.46Å; Q42-F48 HydrophobicContact CG-CE2 3.7Å; Q42-F48 HydrophobicContact CG-CG 4.45Å; Q42-F48 HydrophobicContact CG-CZ 3.97Å; Q42-F48 PolarHBondContact O-N 3.41Å; Q42-H100 VanDerWaalsContact NE2-CG 3.3Å; Q42-H100 PolarHBondContact NE2-ND1 3.47Å; Q42-H100 VanDerWaalsContact NE2-ND1 3.18Å
43	K	91.3	Very high	79.9	Confident	113 Å²	113	45.7 Å²	45.7	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-44.3	167.5	-80.3	-174.9	175.9	-178.5	0	111.8	L39 A40 R45 G46 F51	L39-K43 WeakPolarHBondContact O-CB 3.39Å; L39-K43 WeakPolarHBondContact O-CG 3.43Å; L39-K43 PolarHBondContact O-N 2.81Å; A40-K43 PolarHBondContact O-N 3.31Å; K43-R45 VanDerWaalsContact C-N 3.27Å; K43-R45 PolarHBondContact O-N 3.33Å; K43-G46 WeakPolarHBondContact O-CA 3.39Å; K43-G46 PolarHBondContact O-N 3.25Å; K43-F51 HydrophobicContact CD-CE2 3.92Å; K43-F51 HydrophobicContact CD-CZ 4.35Å; K43-F51 VanDerWaalsContact CE-CD2 3.41Å; K43-F51 HydrophobicContact CG-CE2 3.74Å; K43-F51 HydrophobicContact CG-CZ 3.95Å
44	A	91.4	Very high	81.8	Confident	61 Å²	61	48.1 Å²	48.1	50%	0.504	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-30.5	178.7	0	0	0	0	0	112.8	A40 A41 L326	A40-A44 WeakPolarHBondContact O-CB 3.49Å; A40-A44 PolarHBondContact O-N 3.39Å; A41-A44 PolarHBondContact O-N 3.02Å; A44-L326 HydrophobicContact CB-CD1 3.98Å
45	R	93.8	Very high	83.3	Confident	22 Å²	22	52.4 Å²	52.4	8%	0.083	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.7	168.3	-73	172.7	-178.8	-81.5	-5.1	113.4	A41 Q42 K43 L47 K319 T322 L324 L326	A41-R45 WeakPolarHBondContact O-CG 3.23Å; A41-R45 PolarHBondContact O-N 2.9Å; Q42-R45 PolarHBondContact O-N 3.26Å; K43-R45 VanDerWaalsContact C-N 3.27Å; K43-R45 PolarHBondContact O-N 3.33Å; R45-L47 HydrophobicContact CB-CB 4.25Å; R45-L47 PolarHBondContact O-N 3.47Å; R45-K319 HydrophobicContact CB-CB 4.26Å; R45-K319 HydrophobicContact CG-CB 4.47Å; R45-K319 PolarHBondContact NH1-O 2.79Å; R45-K319 WeakPolarHBondContact O-CB 3.37Å; R45-T322 PolarHBondContact NH1-O 3.2Å; R45-L324 PolarHBondContact NH1-O 2.69Å; R45-L324 VanDerWaalsContact NH1-O 3.12Å; R45-L324 PolarHBondContact NH2-O 3Å; R45-L326 HydrophobicContact CG-CD2 3.84Å
46	G	93.1	Very high	84.7	Confident	34 Å²	34	50.3 Å²	50.3	35%	0.351	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	11.8	-167.3	0	0	0	0	0	113.5	Q42 K43 P272 L320	Q42-G46 PolarHBondContact O-N 2.95Å; K43-G46 WeakPolarHBondContact O-CA 3.39Å; K43-G46 PolarHBondContact O-N 3.25Å; G46-P272 WeakPolarHBondContact O-CD 3.46Å; G46-P272 WeakPolarHBondContact O-CG 3.36Å; G46-L320 WeakPolarHBondContact O-CD2 3.5Å
47	L	94.1	Very high	85.6	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.252	C	S	.	.			trans	-74.3	-41	-179.7	-177.8	62.4	0	0	0	111.3	Q42 R45 L93 H100 V271 P272 L320	Q42-L47 PolarHBondContact O-N 3.42Å; Q42-L47 VanDerWaalsContact OE1-CD2 3.31Å; R45-L47 HydrophobicContact CB-CB 4.25Å; R45-L47 PolarHBondContact O-N 3.47Å; L47-L93 HydrophobicContact CD1-CG 4.07Å; L47-H100 VanDerWaalsContact CD2-CD2 3.45Å; L47-H100 WeakPolarHBondContact CD2-CD2 3.34Å; L47-V271 HydrophobicContact CD1-CG1 4.43Å; L47-V271 WeakPolarHBondContact O-CA 3.4Å; L47-V271 WeakPolarHBondContact O-CB 3.4Å; L47-V271 WeakPolarHBondContact O-CG1 2.96Å; L47-P272 WeakPolarHBondContact O-CD 3.44Å; L47-L320 HydrophobicContact CB-CD2 4.1Å; L47-L320 HydrophobicContact CD1-CD2 4.18Å
48	F	94.1	Very high	85.4	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.018	28%	0.277	C	S	.	.			trans	-98.9	122.2	171.7	-64.2	-9.9	0	0	0	109.1	L39 Q42 F51 L101 L242 I269 V271	L39-F48 HydrophobicContact CD2-CD2 4.09Å; L39-F48 HydrophobicContact CD2-CE2 3.93Å; Q42-F48 HydrophobicContact CB-CB 4.15Å; Q42-F48 HydrophobicContact CB-CD1 4.12Å; Q42-F48 HydrophobicContact CB-CD2 3.36Å; Q42-F48 HydrophobicContact CB-CE1 4.37Å; Q42-F48 HydrophobicContact CB-CE2 3.68Å; Q42-F48 HydrophobicContact CB-CG 3.6Å; Q42-F48 HydrophobicContact CB-CZ 4.17Å; Q42-F48 HydrophobicContact CG-CD2 3.96Å; Q42-F48 HydrophobicContact CG-CE1 4.46Å; Q42-F48 HydrophobicContact CG-CE2 3.7Å; Q42-F48 HydrophobicContact CG-CG 4.45Å; Q42-F48 HydrophobicContact CG-CZ 3.97Å; Q42-F48 PolarHBondContact O-N 3.41Å; F48-F51 HydrophobicContact CB-CE1 4.21Å; F48-F51 HydrophobicContact CB-CE2 4.1Å; F48-F51 HydrophobicContact CB-CZ 3.49Å; F48-F51 VanDerWaalsContact CB-CZ 3.49Å; F48-F51 HydrophobicContact CD2-CE1 4.05Å; F48-F51 AromaticContact CD2-CZ 3.96Å; F48-F51 HydrophobicContact CD2-CZ 3.96Å; F48-F51 HydrophobicContact CG-CZ 4.18Å; F48-L101 HydrophobicContact CE2-CD2 4.09Å; F48-L101 HydrophobicContact CZ-CD1 4.16Å; F48-L101 HydrophobicContact CZ-CD2 3.99Å; F48-L101 HydrophobicContact CZ-CG 4.01Å; F48-L242 HydrophobicContact CD1-CD1 4.28Å; F48-L242 HydrophobicContact CE1-CD1 3.65Å; F48-L242 HydrophobicContact CZ-CD1 4.16Å; F48-I269 HydrophobicContact CB-CG2 3.99Å; F48-I269 HydrophobicContact CD1-CG2 3.71Å; F48-I269 HydrophobicContact CD2-CD1 4.48Å; F48-I269 HydrophobicContact CD2-CG2 3.86Å; F48-I269 HydrophobicContact CE1-CG2 4.13Å; F48-I269 HydrophobicContact CE2-CD1 4.23Å; F48-I269 HydrophobicContact CE2-CG2 4.26Å; F48-I269 HydrophobicContact CG-CG2 3.59Å; F48-I269 HydrophobicContact CZ-CG2 4.39Å; F48-V271 HydrophobicContact CD1-CG1 4.4Å
49	K	88.8	Confident	84.6	Confident	111 Å²	111	55 Å²	55	48%	0.483	30%	0.297	S	S	.	.			trans	-99.3	-69.6	-173.7	-172.3	-171.2	170.3	-169	0	110.5	T270 P272	K49-T270 PolarHBondContact N-O 3.03Å; K49-P272 HydrophobicContact CD-CB 4.4Å
50	D	87.6	Confident	84.1	Confident	63 Å²	63	58.5 Å²	58.5	34%	0.337	31%	0.313	S	S	.	.			trans	-116.5	153.4	-176	-46.2	-59.7	0	0	0	110.6	T270	D50-T270 WeakPolarHBondContact CA-OG1 3.34Å; D50-T270 HydrophobicContact CB-CG2 4.46Å; D50-T270 VanDerWaalsContact CB-OG1 3.25Å; D50-T270 WeakPolarHBondContact CB-OG1 3.47Å; D50-T270 PolarHBondContact N-OG1 2.8Å; D50-T270 PolarHBondContact O-N 3.4Å; D50-T270 PolarHBondContact O-OG1 3.39Å; D50-T270 PolarHBondContact OD2-OG1 3.43Å
51	F	90.1	Very high	83.8	Confident	21 Å²	21	56 Å²	56	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.8	-178.9	-62	-91.2	0	0	0	108.7	L39 K43 F48 T57 L61 G268 I269	L39-F51 HydrophobicContact CD2-CE1 4.16Å; K43-F51 HydrophobicContact CD-CE2 3.92Å; K43-F51 HydrophobicContact CD-CZ 4.35Å; K43-F51 VanDerWaalsContact CE-CD2 3.41Å; K43-F51 HydrophobicContact CG-CE2 3.74Å; K43-F51 HydrophobicContact CG-CZ 3.95Å; F48-F51 HydrophobicContact CB-CE1 4.21Å; F48-F51 HydrophobicContact CB-CE2 4.1Å; F48-F51 HydrophobicContact CB-CZ 3.49Å; F48-F51 VanDerWaalsContact CB-CZ 3.49Å; F48-F51 HydrophobicContact CD2-CE1 4.05Å; F48-F51 AromaticContact CD2-CZ 3.96Å; F48-F51 HydrophobicContact CD2-CZ 3.96Å; F48-F51 HydrophobicContact CG-CZ 4.18Å; F51-T57 HydrophobicContact CB-CG2 3.36Å; F51-T57 WeakPolarHBondContact O-CG2 3.44Å; F51-L61 HydrophobicContact CB-CD2 4.09Å; F51-L61 HydrophobicContact CD1-CD2 3.38Å; F51-L61 HydrophobicContact CE1-CD2 4.17Å; F51-L61 HydrophobicContact CG-CD2 4.1Å; F51-G268 CarbonylContact C-O 3.59Å; F51-G268 WeakPolarHBondContact CA-O 3.19Å; F51-I269 HydrophobicContact CD1-CD1 4.35Å; F51-I269 HydrophobicContact CD1-CG1 3.85Å; F51-I269 HydrophobicContact CD1-CG2 4.33Å; F51-I269 HydrophobicContact CE1-CD1 4.1Å; F51-I269 HydrophobicContact CE1-CG1 4Å; F51-I269 HydrophobicContact CE1-CG2 3.98Å
52	F	85.1	Confident	83.5	Confident	30 Å²	30	56.2 Å²	56.2	13%	0.132	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.1	-175.5	-176.4	-94.1	0	0	0	110.8	L248 M252 Y255 F267 G268	F52-L248 HydrophobicContact CB-CD1 4.37Å; F52-M252 HydrophobicContact CD1-CG 4.13Å; F52-M252 HydrophobicContact CD2-CE 4.48Å; F52-M252 HydrophobicContact CD2-CG 3.99Å; F52-M252 HydrophobicContact CE1-CB 4.17Å; F52-M252 HydrophobicContact CE1-CG 3.86Å; F52-M252 HydrophobicContact CE2-CE 3.69Å; F52-M252 HydrophobicContact CE2-CG 3.77Å; F52-M252 HydrophobicContact CE2-SD 4.35Å; F52-M252 HydrophobicContact CG-CG 4.19Å; F52-M252 HydrophobicContact CZ-CB 4.17Å; F52-M252 HydrophobicContact CZ-CE 4Å; F52-M252 HydrophobicContact CZ-CG 3.71Å; F52-Y255 HydrophobicContact CD1-CD1 4.47Å; F52-Y255 HydrophobicContact CD1-CG 4.25Å; F52-Y255 AromaticContact CE1-CD1 3.39Å; F52-Y255 HydrophobicContact CE1-CD1 3.39Å; F52-Y255 HydrophobicContact CE1-CD2 4.36Å; F52-Y255 HydrophobicContact CE1-CE1 4.11Å; F52-Y255 AromaticContact CE1-CG 3.52Å; F52-Y255 HydrophobicContact CE1-CG 3.52Å; F52-Y255 AromaticContact CZ-CD1 3.84Å; F52-Y255 HydrophobicContact CZ-CD1 3.84Å; F52-Y255 HydrophobicContact CZ-CE1 4.27Å; F52-Y255 HydrophobicContact CZ-CG 4.42Å; F52-F267 CarbonylContact O-C 3.53Å; F52-F267 WeakPolarHBondContact O-CA 3.46Å; F52-F267 WeakPolarHBondContact O-CB 3.15Å; F52-G268 PolarHBondContact N-O 3.49Å; F52-G268 PolarHBondContact O-N 3.48Å
53	P	85.7	Confident	82.9	Confident	6 Å²	6	61 Å²	61	4%	0.039	31%	0.314	C	S	.	.	S	Bend	cis	-66.3	145.3	-12.3	32	-39.3	0	0	0	111.8	T55 G56 T57 Y255 V266 F267	P53-T55 PolarHBondContact O-N 2.89Å; P53-T55 VanDerWaalsContact O-N 3.14Å; P53-G56 PolarHBondContact O-N 3.35Å; P53-G56 VanDerWaalsContact O-N 3.14Å; P53-T57 WeakPolarHBondContact O-CG2 3.25Å; P53-T57 PolarHBondContact O-N 3.12Å; P53-Y255 HydrophobicContact CB-CE1 4.21Å; P53-Y255 HydrophobicContact CB-CE2 4.24Å; P53-Y255 HydrophobicContact CG-CD2 4.35Å; P53-Y255 HydrophobicContact CG-CE1 4.42Å; P53-Y255 HydrophobicContact CG-CE2 3.59Å; P53-V266 WeakPolarHBondContact CD-O 3.38Å; P53-F267 HydrophobicContact CG-CE1 4.5Å
54	E	79	Confident	82.5	Confident	162 Å²	162	56.6 Å²	56.6	76%	0.757	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-53.4	-37.4	-176.9	-73.8	-172.2	-179.3	0	0	113.2	G56 T57	E54-G56 VanDerWaalsContact C-N 3.34Å; E54-G56 PolarHBondContact O-N 3.14Å; E54-T57 PolarHBondContact O-N 3.25Å; E54-T57 PolarHBondContact O-OG1 3.35Å
55	T	71.3	Confident	82.1	Confident	124 Å²	124	54 Å²	54	76%	0.761	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-59.4	-39.4	-178.9	47.8	0	0	0	0	113	P53	P53-T55 PolarHBondContact O-N 2.89Å; P53-T55 VanDerWaalsContact O-N 3.14Å
56	G	68.8	Low	81.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-89.8	-6.1	-178.9	0	0	0	0	0	114.6	P53 E54 K58 E60 L61	P53-G56 PolarHBondContact O-N 3.35Å; P53-G56 VanDerWaalsContact O-N 3.14Å; E54-G56 VanDerWaalsContact C-N 3.34Å; E54-G56 PolarHBondContact O-N 3.14Å; G56-K58 VanDerWaalsContact C-N 3.31Å; G56-K58 PolarHBondContact O-N 3.11Å; G56-E60 VanDerWaalsContact CA-OE2 3.23Å; G56-E60 WeakPolarHBondContact CA-OE2 3.44Å; G56-E60 PolarHBondContact O-N 3.47Å; G56-L61 PolarHBondContact O-N 3.13Å
57	T	69.1	Low	80.1	Confident	29 Å²	29	60.2 Å²	60.2	18%	0.178	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.3	-171.3	61.5	0	0	0	0	115.4	F51 P53 E54 P62	F51-T57 HydrophobicContact CB-CG2 3.36Å; F51-T57 WeakPolarHBondContact O-CG2 3.44Å; P53-T57 WeakPolarHBondContact O-CG2 3.25Å; P53-T57 PolarHBondContact O-N 3.12Å; E54-T57 PolarHBondContact O-N 3.25Å; E54-T57 PolarHBondContact O-OG1 3.35Å; T57-P62 VanDerWaalsContact O-CD 3.27Å; T57-P62 WeakPolarHBondContact O-CD 3.33Å
58	K	70	Confident	78.6	Confident	180 Å²	180	63.6 Å²	63.6	78%	0.783	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-25.8	-173.9	-69.4	-175.6	-179.4	175.9	0	113.4	G56	G56-K58 VanDerWaalsContact C-N 3.31Å; G56-K58 PolarHBondContact O-N 3.11Å
59	I	68.9	Low	77.3	Confident	106 Å²	106	65.7 Å²	65.7	54%	0.544	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-68.6	-170.4	-57.5	177.9	0	0	0	109.3	L61 P62 E63	I59-L61 PolarHBondContact O-N 3.15Å; I59-P62 VanDerWaalsContact O-CD 3.27Å; I59-P62 WeakPolarHBondContact O-CD 3.48Å; I59-E63 WeakPolarHBondContact CG2-OE1 3.3Å; I59-E63 WeakPolarHBondContact O-CB 3.46Å; I59-E63 VanDerWaalsContact O-CG 3.31Å; I59-E63 WeakPolarHBondContact O-CG 3.28Å; I59-E63 PolarHBondContact O-N 3.32Å
60	E	77.6	Confident	76.2	Confident	85 Å²	85	65.8 Å²	65.8	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-45.9	-173.1	-62.8	161.4	-169.1	0	0	112.8	G56 E63 L64 F267	G56-E60 VanDerWaalsContact CA-OE2 3.23Å; G56-E60 WeakPolarHBondContact CA-OE2 3.44Å; G56-E60 PolarHBondContact O-N 3.47Å; E60-E63 PolarHBondContact O-N 2.99Å; E60-L64 WeakPolarHBondContact O-CB 3.12Å; E60-L64 PolarHBondContact O-N 3.47Å; E60-F267 HydrophobicContact CB-CE1 4.22Å; E60-F267 HydrophobicContact CB-CZ 3.8Å
61	L	79.9	Confident	75.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.9	-49.7	-179.2	-178.7	65.5	0	0	0	112.1	L39 F51 G56 I59 E63 L64 F65 F267	L39-L61 HydrophobicContact CD1-CD2 4.13Å; L39-L61 HydrophobicContact CD1-CG 3.85Å; F51-L61 HydrophobicContact CB-CD2 4.09Å; F51-L61 HydrophobicContact CD1-CD2 3.38Å; F51-L61 HydrophobicContact CE1-CD2 4.17Å; F51-L61 HydrophobicContact CG-CD2 4.1Å; G56-L61 PolarHBondContact O-N 3.13Å; I59-L61 PolarHBondContact O-N 3.15Å; L61-E63 VanDerWaalsContact C-N 3.3Å; L61-E63 PolarHBondContact O-N 3.45Å; L61-L64 HydrophobicContact CD1-CD2 4.29Å; L61-L64 WeakPolarHBondContact O-CB 3.29Å; L61-L64 PolarHBondContact O-N 2.88Å; L61-F65 HydrophobicContact CD1-CD2 3.98Å; L61-F65 HydrophobicContact CD1-CE2 3.57Å; L61-F65 HydrophobicContact CG-CD2 4.38Å; L61-F65 HydrophobicContact CG-CE2 4.3Å; L61-F65 VanDerWaalsContact O-CD2 3.32Å; L61-F65 WeakPolarHBondContact O-CD2 3.31Å; L61-F65 PolarHBondContact O-N 3.32Å; L61-F267 HydrophobicContact CB-CD1 3.91Å; L61-F267 HydrophobicContact CB-CE1 4.03Å; L61-F267 HydrophobicContact CB-CG 4.41Å; L61-F267 HydrophobicContact CD1-CB 3.64Å; L61-F267 HydrophobicContact CD1-CD1 3.93Å; L61-F267 HydrophobicContact CD1-CD2 3.99Å; L61-F267 HydrophobicContact CD1-CG 3.57Å; L61-F267 HydrophobicContact CG-CD1 4.35Å; L61-F267 HydrophobicContact CG-CG 4.46Å
62	P	81.1	Confident	75	Confident	23 Å²	23	67.4 Å²	67.4	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-54.4	-41.3	170.6	-29.2	34.8	0	0	0	114.5	L39 T57 I59 L64 F65 D66	L39-P62 HydrophobicContact CD1-CG 4.46Å; T57-P62 VanDerWaalsContact O-CD 3.27Å; T57-P62 WeakPolarHBondContact O-CD 3.33Å; I59-P62 VanDerWaalsContact O-CD 3.27Å; I59-P62 WeakPolarHBondContact O-CD 3.48Å; P62-L64 VanDerWaalsContact C-N 3.33Å; P62-F65 PolarHBondContact O-N 2.93Å; P62-D66 PolarHBondContact O-N 3.45Å
63	E	80.8	Confident	75.2	Confident	108 Å²	108	68.6 Å²	68.6	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-36.4	177.4	-74.2	175.3	177.3	0	0	112.2	I59 E60 L61 F65 D66 T69	I59-E63 WeakPolarHBondContact CG2-OE1 3.3Å; I59-E63 WeakPolarHBondContact O-CB 3.46Å; I59-E63 VanDerWaalsContact O-CG 3.31Å; I59-E63 WeakPolarHBondContact O-CG 3.28Å; I59-E63 PolarHBondContact O-N 3.32Å; E60-E63 PolarHBondContact O-N 2.99Å; L61-E63 VanDerWaalsContact C-N 3.3Å; L61-E63 PolarHBondContact O-N 3.45Å; E63-F65 PolarHBondContact O-N 3.19Å; E63-D66 VanDerWaalsContact O-CB 3.27Å; E63-D66 WeakPolarHBondContact O-CB 3.21Å; E63-D66 PolarHBondContact O-N 3.4Å; E63-T69 WeakPolarHBondContact O-CG2 3.33Å; E63-T69 PolarHBondContact O-OG1 2.93Å
64	L	81.5	Confident	75.6	Confident	19 Å²	19	68.6 Å²	68.6	10%	0.099	38%	0.38	C	S	.	.	H	α-helix	trans	-59.4	-34.1	175	-166.6	72.3	0	0	0	111.6	E60 L61 P62 Q74 R239 V240 F267	E60-L64 WeakPolarHBondContact O-CB 3.12Å; E60-L64 PolarHBondContact O-N 3.47Å; L61-L64 HydrophobicContact CD1-CD2 4.29Å; L61-L64 WeakPolarHBondContact O-CB 3.29Å; L61-L64 PolarHBondContact O-N 2.88Å; P62-L64 VanDerWaalsContact C-N 3.33Å; L64-Q74 VanDerWaalsContact CD1-CD 3.43Å; L64-Q74 HydrophobicContact CD1-CG 4.41Å; L64-Q74 VanDerWaalsContact CD1-NE2 3.26Å; L64-Q74 HydrophobicContact CD2-CG 4.37Å; L64-Q74 HydrophobicContact CG-CG 3.79Å; L64-Q74 VanDerWaalsContact O-CD 3.29Å; L64-Q74 WeakPolarHBondContact O-CG 3.49Å; L64-Q74 PolarHBondContact O-NE2 3.34Å; L64-R239 HydrophobicContact CD2-CB 4.1Å; L64-V240 HydrophobicContact CD2-CG2 3.88Å; L64-F267 HydrophobicContact CD2-CD2 3.66Å; L64-F267 HydrophobicContact CD2-CE2 3.9Å
65	F	83.6	Confident	76.4	Confident	8 Å²	8	61.6 Å²	61.6	4%	0.035	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.9	177.2	-76.5	-81.3	0	0	0	114	L38 L39 L61 P62 E63 I76 L101 H106 V240 I269	L38-F65 HydrophobicContact CD2-CD1 3.94Å; L38-F65 HydrophobicContact CD2-CE1 4.48Å; L39-F65 HydrophobicContact CD1-CD2 3.86Å; L39-F65 HydrophobicContact CD1-CE2 4.39Å; L39-F65 HydrophobicContact CD2-CD2 3.93Å; L39-F65 HydrophobicContact CD2-CE2 3.97Å; L39-F65 HydrophobicContact CD2-CG 4.32Å; L39-F65 HydrophobicContact CD2-CZ 4.41Å; L39-F65 HydrophobicContact CG-CD2 4.14Å; L39-F65 HydrophobicContact CG-CG 4.45Å; L61-F65 HydrophobicContact CD1-CD2 3.98Å; L61-F65 HydrophobicContact CD1-CE2 3.57Å; L61-F65 HydrophobicContact CG-CD2 4.38Å; L61-F65 HydrophobicContact CG-CE2 4.3Å; L61-F65 VanDerWaalsContact O-CD2 3.32Å; L61-F65 WeakPolarHBondContact O-CD2 3.31Å; L61-F65 PolarHBondContact O-N 3.32Å; P62-F65 PolarHBondContact O-N 2.93Å; E63-F65 PolarHBondContact O-N 3.19Å; F65-I76 HydrophobicContact CE1-CD1 4.04Å; F65-I76 HydrophobicContact CE1-CG1 4.38Å; F65-I76 HydrophobicContact CZ-CD1 4.39Å; F65-I76 HydrophobicContact CZ-CG1 4.24Å; F65-L101 HydrophobicContact CD1-CD2 4.29Å; F65-L101 HydrophobicContact CE1-CD2 3.58Å; F65-L101 HydrophobicContact CZ-CD2 4.12Å; F65-H106 AromaticContact CD1-CD2 3.82Å; F65-H106 AromaticContact CD1-CE1 3.62Å; F65-H106 AromaticContact CD1-NE2 3.42Å; F65-H106 WeakPolarHBondContact CD1-NE2 3.45Å; F65-V240 HydrophobicContact CE2-CG2 4.14Å; F65-V240 HydrophobicContact CZ-CG2 3.99Å; F65-I269 HydrophobicContact CE2-CD1 4.25Å; F65-I269 HydrophobicContact CZ-CD1 4.19Å
66	D	75.5	Confident	77.7	Confident	47 Å²	47	55.7 Å²	55.7	25%	0.251	31%	0.312	S	S	.	.			trans	-69.2	142.5	175.4	-158.2	-7.5	0	0	0	111.4	P35 P62 E63 G68 T69	P35-D66 HydrophobicContact CB-CB 3.64Å; P35-D66 WeakPolarHBondContact CD-OD1 3.28Å; P35-D66 HydrophobicContact CG-CB 4.2Å; P35-D66 WeakPolarHBondContact CG-OD2 3.43Å; P62-D66 PolarHBondContact O-N 3.45Å; E63-D66 VanDerWaalsContact O-CB 3.27Å; E63-D66 WeakPolarHBondContact O-CB 3.21Å; E63-D66 PolarHBondContact O-N 3.4Å; D66-G68 VanDerWaalsContact C-N 3.3Å; D66-G68 PolarHBondContact OD1-N 3.46Å; D66-T69 HydrophobicContact CB-CG2 3.94Å; D66-T69 PolarHBondContact O-OG1 3.33Å; D66-T69 VanDerWaalsContact O-OG1 3.07Å
67	R	68.7	Low	79.1	Confident	139 Å²	139	55.8 Å²	55.8	53%	0.525	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.8	175.3	-69.1	-176	172.2	-152.6	-6.7	112.7	F72 A104	R67-F72 HydrophobicContact CB-CD2 4.43Å; R67-F72 HydrophobicContact CG-CD2 4.04Å; R67-F72 HydrophobicContact CG-CE2 3.72Å; R67-F72 HydrophobicContact CG-CZ 4.07Å; R67-A104 PolarHBondContact NH2-O 2.91Å
68	G	63.7	Low	80.5	Confident	71 Å²	71	54.6 Å²	54.6	73%	0.732	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.9	-178.6	0	0	0	0	0	114.9	D66	D66-G68 VanDerWaalsContact C-N 3.3Å; D66-G68 PolarHBondContact OD1-N 3.46Å
69	T	66.1	Low	81.9	Confident	47 Å²	47	48 Å²	48	29%	0.288	29%	0.288	S	S	.	.	S	Bend	trans	-92.2	150.9	-176.7	56.3	0	0	0	0	111.8	E63 D66 S71 F72	E63-T69 WeakPolarHBondContact O-CG2 3.33Å; E63-T69 PolarHBondContact O-OG1 2.93Å; D66-T69 HydrophobicContact CB-CG2 3.94Å; D66-T69 PolarHBondContact O-OG1 3.33Å; D66-T69 VanDerWaalsContact O-OG1 3.07Å; T69-S71 PolarHBondContact O-N 2.85Å; T69-S71 VanDerWaalsContact O-N 3.07Å; T69-S71 PolarHBondContact OG1-OG 3.42Å; T69-F72 PolarHBondContact O-N 3.49Å; T69-F72 VanDerWaalsContact O-N 3.14Å
70	A	66.4	Low	83.2	Confident	114 Å²	114	43.3 Å²	43.3	94%	0.942	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.2	178.1	0	0	0	0	0	113.7
71	S	70.4	Confident	84	Confident	52 Å²	52	40.5 Å²	40.5	36%	0.364	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.4	-179.5	59.3	0	0	0	0	113	T69 P73 Q74	T69-S71 PolarHBondContact O-N 2.85Å; T69-S71 VanDerWaalsContact O-N 3.07Å; T69-S71 PolarHBondContact OG1-OG 3.42Å; S71-P73 CarbonylContact O-C 3.39Å; S71-P73 VanDerWaalsContact O-C 3.28Å; S71-Q74 VanDerWaalsContact C-NE2 3.28Å; S71-Q74 PolarHBondContact O-NE2 3.3Å; S71-Q74 PolarHBondContact OG-NE2 3.47Å
72	F	81.3	Confident	84.6	Confident	65 Å²	65	40.5 Å²	40.5	29%	0.285	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-74.9	135	172.3	-172.7	-87.3	0	0	0	111.8	R67 T69 H106	R67-F72 HydrophobicContact CB-CD2 4.43Å; R67-F72 HydrophobicContact CG-CD2 4.04Å; R67-F72 HydrophobicContact CG-CE2 3.72Å; R67-F72 HydrophobicContact CG-CZ 4.07Å; T69-F72 PolarHBondContact O-N 3.49Å; T69-F72 VanDerWaalsContact O-N 3.14Å; F72-H106 AromaticContact CD2-CE1 3.67Å; F72-H106 AromaticContact CE2-CE1 3.48Å; F72-H106 VanDerWaalsContact CE2-CE1 3.48Å; F72-H106 WeakPolarHBondContact CE2-CE1 3.36Å; F72-H106 AromaticContact CE2-ND1 3.97Å; F72-H106 AromaticContact CE2-NE2 3.99Å
73	P	90.1	Very high	84.9	Confident	56 Å²	56	42.3 Å²	42.3	36%	0.364	26%	0.262	S	S	.	.	S	Bend	cis	-83.3	141	-3.4	32.9	-34.1	0	0	0	112.9	S71 G105	S71-P73 CarbonylContact O-C 3.39Å; S71-P73 VanDerWaalsContact O-C 3.28Å; P73-G105 VanDerWaalsContact CB-O 3.28Å; P73-G105 WeakPolarHBondContact CB-O 3.37Å
74	Q	93.2	Very high	85.4	Confident	5 Å²	5	38 Å²	38	2%	0.023	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.7	153.6	169.3	-58.7	-55.1	-35.4	0	0	113.6	L64 S71 I76 H106 N107	L64-Q74 VanDerWaalsContact CD1-CD 3.43Å; L64-Q74 HydrophobicContact CD1-CG 4.41Å; L64-Q74 VanDerWaalsContact CD1-NE2 3.26Å; L64-Q74 HydrophobicContact CD2-CG 4.37Å; L64-Q74 HydrophobicContact CG-CG 3.79Å; L64-Q74 VanDerWaalsContact O-CD 3.29Å; L64-Q74 WeakPolarHBondContact O-CG 3.49Å; L64-Q74 PolarHBondContact O-NE2 3.34Å; S71-Q74 VanDerWaalsContact C-NE2 3.28Å; S71-Q74 PolarHBondContact O-NE2 3.3Å; S71-Q74 PolarHBondContact OG-NE2 3.47Å; Q74-I76 HydrophobicContact CB-CD1 4.06Å; Q74-H106 PolarHBondContact N-ND1 2.82Å; Q74-H106 WeakPolarHBondContact O-CB 3.12Å; Q74-N107 PolarHBondContact O-N 3.08Å
75	T	97.3	Very high	85.9	Confident	15 Å²	15	39 Å²	39	9%	0.092	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.6	167.3	-61.2	0	0	0	0	110.3	N107 I109 Y236 C238 R239 V240	T75-N107 CarbonylContact C-O 3.28Å; T75-N107 WeakPolarHBondContact CA-O 3.48Å; T75-I109 HydrophobicContact CG2-CD1 3.58Å; T75-I109 HydrophobicContact CG2-CG1 4.08Å; T75-Y236 WeakPolarHBondContact CB-O 3.42Å; T75-Y236 PolarHBondContact OG1-O 3.47Å; T75-Y236 VanDerWaalsContact OG1-O 3.11Å; T75-C238 HydrophobicContact CG2-CB 3.85Å; T75-C238 WeakPolarHBondContact O-CA 3.31Å; T75-C238 PolarHBondContact O-SG 2.98Å; T75-R239 PolarHBondContact O-N 3.49Å; T75-R239 VanDerWaalsContact O-N 3.1Å; T75-V240 PolarHBondContact O-N 2.93Å
76	I	98.2	Very high	86.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141	-179.4	-54.9	97.1	0	0	0	109.4	F65 Q74 L98 L101 H106 N107 V108 I109 V240 L242	F65-I76 HydrophobicContact CE1-CD1 4.04Å; F65-I76 HydrophobicContact CE1-CG1 4.38Å; F65-I76 HydrophobicContact CZ-CD1 4.39Å; F65-I76 HydrophobicContact CZ-CG1 4.24Å; Q74-I76 HydrophobicContact CB-CD1 4.06Å; I76-L98 HydrophobicContact CG2-CD2 4.03Å; I76-L101 HydrophobicContact CB-CD1 4.11Å; I76-L101 HydrophobicContact CD1-CB 4.32Å; I76-L101 HydrophobicContact CD1-CD1 4.13Å; I76-L101 HydrophobicContact CG1-CD1 3.95Å; I76-L101 HydrophobicContact CG2-CD1 3.76Å; I76-H106 HydrophobicContact CD1-CB 3.5Å; I76-N107 PolarHBondContact N-O 3.27Å; I76-V108 HydrophobicContact CB-CG1 4.45Å; I76-V108 CarbonylContact O-C 3.38Å; I76-V108 VanDerWaalsContact O-CA 3.26Å; I76-V108 WeakPolarHBondContact O-CA 3.2Å; I76-I109 PolarHBondContact O-N 3.49Å; I76-V240 CarbonylContact C-O 3.58Å; I76-V240 VanDerWaalsContact CA-O 3.31Å; I76-V240 WeakPolarHBondContact CA-O 3.5Å; I76-V240 HydrophobicContact CB-CB 4.21Å; I76-V240 HydrophobicContact CG1-CB 3.71Å; I76-V240 HydrophobicContact CG1-CG1 4.33Å; I76-V240 HydrophobicContact CG1-CG2 4.12Å; I76-V240 HydrophobicContact CG2-CB 3.96Å; I76-V240 HydrophobicContact CG2-CG1 4.01Å; I76-L242 HydrophobicContact CG2-CB 4.16Å
77	Y	98.6	Very high	87.3	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.7	174.5	92	-76.1	0	0	0	113.8	I109 L111 F229 L232 C238 V240 Q241 L242	Y77-I109 CarbonylContact C-O 3.58Å; Y77-I109 WeakPolarHBondContact CA-O 3.17Å; Y77-L111 HydrophobicContact CD2-CB 4.08Å; Y77-L111 HydrophobicContact CD2-CD2 4.18Å; Y77-L111 HydrophobicContact CE2-CD2 4.01Å; Y77-F229 HydrophobicContact CD1-CD2 4.18Å; Y77-F229 HydrophobicContact CD1-CE2 4.37Å; Y77-F229 HydrophobicContact CE1-CB 4.01Å; Y77-F229 HydrophobicContact CE1-CD1 4.3Å; Y77-F229 AromaticContact CE1-CD2 3.46Å; Y77-F229 HydrophobicContact CE1-CD2 3.46Å; Y77-F229 VanDerWaalsContact CE1-CD2 3.46Å; Y77-F229 AromaticContact CE1-CE2 3.94Å; Y77-F229 HydrophobicContact CE1-CE2 3.94Å; Y77-F229 AromaticContact CE1-CG 3.66Å; Y77-F229 HydrophobicContact CE1-CG 3.66Å; Y77-F229 WeakPolarHBondContact OH-CA 3.2Å; Y77-F229 VanDerWaalsContact OH-CB 3.32Å; Y77-F229 WeakPolarHBondContact OH-CB 2.97Å; Y77-F229 PolarHBondContact OH-N 2.98Å; Y77-L232 HydrophobicContact CD1-CD1 3.9Å; Y77-L232 HydrophobicContact CD2-CD1 3.45Å; Y77-L232 VanDerWaalsContact CD2-CD1 3.45Å; Y77-L232 HydrophobicContact CE1-CD1 4.29Å; Y77-L232 HydrophobicContact CE2-CD1 3.89Å; Y77-L232 HydrophobicContact CG-CD1 3.42Å; Y77-L232 VanDerWaalsContact CG-CD1 3.42Å; Y77-C238 VanDerWaalsContact CD1-SG 3.52Å; Y77-V240 PolarHBondContact N-O 3.06Å; Y77-Q241 HydrophobicContact CD1-CB 4.04Å; Y77-Q241 HydrophobicContact CD1-CG 4.06Å; Y77-Q241 HydrophobicContact CE1-CB 3.5Å; Y77-Q241 HydrophobicContact CE1-CG 3.4Å; Y77-Q241 HydrophobicContact CE2-CG 4.23Å; Y77-Q241 VanDerWaalsContact CZ-CD 3.46Å; Y77-Q241 PolarHBondContact OH-NE2 3.07Å; Y77-Q241 PolarHBondContact OH-OE1 3.35Å; Y77-L242 PolarHBondContact O-N 3.39Å
78	C	98.4	Very high	88.5	Confident	4 Å²	4	33.1 Å²	33.1	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.6	165.7	-176.8	0	0	0	0	109.3	F80 L98 I109 L111 L242	C78-F80 HydrophobicContact CB-CE2 3.89Å; C78-F80 HydrophobicContact CB-CZ 4.02Å; C78-F80 WeakPolarHBondContact O-CD2 3.45Å; C78-F80 WeakPolarHBondContact O-CE2 3.45Å; C78-F80 VanDerWaalsContact SG-CZ 3.59Å; C78-L98 HydrophobicContact CB-CD1 3.77Å; C78-L98 HydrophobicContact CB-CD2 4.12Å; C78-L98 HydrophobicContact CB-CG 4.08Å; C78-I109 PolarHBondContact N-O 3.49Å; C78-L111 PolarHBondContact O-N 3.41Å; C78-L242 WeakPolarHBondContact CA-O 3.27Å; C78-L242 HydrophobicContact CB-CB 4.35Å; C78-L242 HydrophobicContact CB-CD2 4.21Å; C78-L242 WeakPolarHBondContact CB-O 3.46Å; C78-L242 PolarHBondContact SG-O 3.3Å
79	G	97.7	Very high	89.8	Confident	40 Å²	40	29.7 Å²	29.7	41%	0.412	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	143.7	176.1	0	0	0	0	0	113.1	L111	G79-L111 CarbonylContact C-O 3.57Å; G79-L111 WeakPolarHBondContact CA-O 3.18Å
80	F	96.4	Very high	90.9	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	109.1	175.8	-58.7	-85.3	0	0	0	110.2	C78 P82 L87 H91 A94 L95 L98 A110 L111 V112 G113	C78-F80 HydrophobicContact CB-CE2 3.89Å; C78-F80 HydrophobicContact CB-CZ 4.02Å; C78-F80 WeakPolarHBondContact O-CD2 3.45Å; C78-F80 WeakPolarHBondContact O-CE2 3.45Å; C78-F80 VanDerWaalsContact SG-CZ 3.59Å; F80-P82 WeakPolarHBondContact O-CD 3.48Å; F80-L87 HydrophobicContact CB-CD2 4.41Å; F80-L87 HydrophobicContact CD1-CD1 4.14Å; F80-L87 HydrophobicContact CD1-CD2 4.17Å; F80-H91 HydrophobicContact CE1-CB 4.41Å; F80-A94 HydrophobicContact CE1-CB 4.26Å; F80-A94 HydrophobicContact CZ-CB 4.3Å; F80-L95 HydrophobicContact CE1-CD1 4.33Å; F80-L95 HydrophobicContact CE1-CD2 4.18Å; F80-L95 HydrophobicContact CE1-CG 3.9Å; F80-L95 HydrophobicContact CE2-CD2 3.88Å; F80-L95 HydrophobicContact CE2-CG 4.47Å; F80-L95 HydrophobicContact CZ-CD1 4.43Å; F80-L95 HydrophobicContact CZ-CD2 3.48Å; F80-L95 VanDerWaalsContact CZ-CD2 3.48Å; F80-L95 HydrophobicContact CZ-CG 3.6Å; F80-L98 HydrophobicContact CE2-CD1 4.4Å; F80-A110 HydrophobicContact CD2-CB 4.23Å; F80-A110 HydrophobicContact CE2-CB 3.97Å; F80-L111 PolarHBondContact N-O 3.26Å; F80-V112 WeakPolarHBondContact O-CA 3.49Å; F80-G113 PolarHBondContact O-N 3.01Å
81	D	94.3	Very high	92.1	Very high	26 Å²	26	26.5 Å²	26.5	14%	0.139	17%	0.166	C	C	.	.			trans	-79.3	126.8	179.2	-94.9	6.4	0	0	0	112	T83 T116 A117 Y221	D81-T83 HydrophobicContact CB-CG2 4.36Å; D81-T83 PolarHBondContact O-N 2.86Å; D81-T116 PolarHBondContact OD1-OG1 2.83Å; D81-A117 HydrophobicContact CB-CB 4.1Å; D81-Y221 WeakPolarHBondContact OD2-CE2 3.28Å; D81-Y221 PolarHBondContact OD2-OH 3.23Å
82	P	92.7	Very high	93.2	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.149	C	C	.	.			trans	-72.1	59	179.3	29.5	-38.6	0	0	0	115.1	F80 A84 V112 G113 A117 V137 N140 A141 L144	F80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-A84 VanDerWaalsContact C-N 3.25Å; P82-A84 PolarHBondContact O-N 3.27Å; P82-V112 HydrophobicContact CG-CG1 4.37Å; P82-G113 WeakPolarHBondContact CD-O 3.48Å; P82-A117 HydrophobicContact CG-CB 3.75Å; P82-V137 HydrophobicContact CG-CG1 4.04Å; P82-N140 HydrophobicContact CB-CB 3.7Å; P82-N140 WeakPolarHBondContact O-CB 3.43Å; P82-N140 PolarHBondContact O-ND2 3.02Å; P82-A141 HydrophobicContact CB-CB 4.13Å; P82-A141 HydrophobicContact CG-CB 4.04Å; P82-L144 HydrophobicContact CB-CD2 3.97Å
83	T	88.2	Confident	93.8	Very high	61 Å²	61	21.1 Å²	21.1	37%	0.374	14%	0.137	S	C	.	.	S	Bend	trans	-70.1	-20.7	175	56.2	0	0	0	0	114	D81	D81-T83 HydrophobicContact CB-CG2 4.36Å; D81-T83 PolarHBondContact O-N 2.86Å
84	A	91.1	Very high	94	Very high	18 Å²	18	18.9 Å²	18.9	15%	0.149	12%	0.123	C	C	.	.	S	Bend	trans	-142.2	171	173.3	0	0	0	0	0	108.4	P82 S86 N140 L144 W291	P82-A84 VanDerWaalsContact C-N 3.25Å; P82-A84 PolarHBondContact O-N 3.27Å; A84-S86 PolarHBondContact O-N 3.14Å; A84-N140 WeakPolarHBondContact O-CB 3.48Å; A84-L144 WeakPolarHBondContact O-CD1 3.42Å; A84-W291 HydrophobicContact CB-CH2 3.57Å; A84-W291 HydrophobicContact CB-CZ3 3.54Å
85	D	91.9	Very high	94.2	Very high	40 Å²	40	18.7 Å²	18.7	21%	0.214	12%	0.122	C	C	.	.	S	Bend	trans	-76.5	1	176.8	57.5	28.7	0	0	0	114.1	R136 N140 A143 K296	D85-R136 IonicContact OD2-NH2 2.64Å; D85-R136 PolarHBondContact OD2-NH2 2.84Å; D85-N140 PolarHBondContact N-OD1 3.11Å; D85-A143 HydrophobicContact CB-CB 3.98Å; D85-A143 WeakPolarHBondContact O-CB 3.48Å; D85-K296 WeakPolarHBondContact OD1-CE 3.46Å; D85-K296 IonicContact OD1-NZ 3.3Å; D85-K296 PolarHBondContact OD1-NZ 3.4Å; D85-K296 WeakPolarHBondContact OD2-CE 3.46Å; D85-K296 IonicContact OD2-NZ 3.79Å; D85-K296 PolarHBondContact OD2-NZ 3.14Å
86	S	94.6	Very high	94.2	Very high	11 Å²	11	18 Å²	18	8%	0.077	12%	0.117	C	C	.	.	S	Bend	trans	-149.3	149.9	-179.5	177.2	0	0	0	0	110.7	A84 W291 N293	A84-S86 PolarHBondContact O-N 3.14Å; S86-W291 WeakPolarHBondContact O-CZ3 3.46Å; S86-N293 WeakPolarHBondContact OG-CB 3.48Å; S86-N293 PolarHBondContact OG-N 2.64Å; S86-N293 VanDerWaalsContact OG-N 3.16Å
87	L	94.3	Very high	94.1	Very high	13 Å²	13	18 Å²	18	7%	0.068	12%	0.117	C	C	.	.			trans	-74.9	167.9	162.6	-61.6	-179.6	0	0	0	110.5	F80 H91 L95 L144 L148 L292	F80-L87 HydrophobicContact CB-CD2 4.41Å; F80-L87 HydrophobicContact CD1-CD1 4.14Å; F80-L87 HydrophobicContact CD1-CD2 4.17Å; L87-H91 HydrophobicContact CB-CB 4.16Å; L87-H91 HydrophobicContact CD1-CB 4.39Å; L87-H91 HydrophobicContact CD2-CB 4.09Å; L87-H91 HydrophobicContact CG-CB 4.45Å; L87-L95 HydrophobicContact CD1-CD1 3.68Å; L87-L144 HydrophobicContact CD2-CD2 3.94Å; L87-L144 HydrophobicContact CD2-CG 4.11Å; L87-L144 HydrophobicContact CG-CG 4.24Å; L87-L148 HydrophobicContact CD1-CD2 3.69Å; L87-L148 HydrophobicContact CD1-CG 4.21Å; L87-L292 HydrophobicContact CB-CD1 3.92Å; L87-L292 HydrophobicContact CB-CG 4.34Å; L87-L292 PolarHBondContact O-N 3.22Å
88	H	92.8	Very high	94.1	Very high	46 Å²	46	17.8 Å²	17.8	21%	0.213	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-135.8	168.6	179.5	60.6	50.6	0	0	0	109.1	G90 H91 A289 V290 W291	H88-G90 PolarHBondContact ND1-N 2.81Å; H88-G90 PolarHBondContact O-N 2.81Å; H88-H91 AromaticContact CD2-CE1 3.64Å; H88-H91 AromaticContact CD2-ND1 3.76Å; H88-H91 AromaticContact CE1-CE1 3.23Å; H88-H91 PolarHBondContact CE1-CE1 2.86Å; H88-H91 AromaticContact CE1-ND1 3.27Å; H88-H91 PolarHBondContact CE1-ND1 3.1Å; H88-H91 VanDerWaalsContact CE1-ND1 3.27Å; H88-H91 AromaticContact CE1-NE2 3.93Å; H88-H91 AromaticContact CG-CE1 3.92Å; H88-H91 AromaticContact CG-ND1 3.57Å; H88-H91 PolarHBondContact N-ND1 3.35Å; H88-H91 AromaticContact ND1-CE1 3.69Å; H88-H91 AromaticContact ND1-ND1 3.26Å; H88-H91 PolarHBondContact ND1-ND1 3.5Å; H88-H91 AromaticContact NE2-CE1 3.19Å; H88-H91 PolarHBondContact NE2-CE1 2.93Å; H88-H91 AromaticContact NE2-ND1 3.6Å; H88-H91 WeakPolarHBondContact O-CB 3.3Å; H88-H91 PolarHBondContact O-N 2.79Å; H88-A289 HydrophobicContact CB-CB 4.43Å; H88-V290 CarbonylContact C-O 3.54Å; H88-V290 WeakPolarHBondContact CA-O 3.23Å; H88-V290 WeakPolarHBondContact CB-O 3.42Å; H88-W291 HydrophobicContact CB-CE3 4.17Å
89	V	91.7	Very high	94.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-50.5	-34.5	-174.6	172.6	0	0	0	0	113.7	H91 L92 L282 V290 L292 L302 F305 F306 F321	V89-H91 VanDerWaalsContact C-N 3.27Å; V89-H91 PolarHBondContact O-N 2.9Å; V89-L92 VanDerWaalsContact O-CB 3.24Å; V89-L92 WeakPolarHBondContact O-CB 3.39Å; V89-L92 PolarHBondContact O-N 2.87Å; V89-L282 HydrophobicContact CG1-CD2 4.03Å; V89-L282 HydrophobicContact CG1-CG 4.4Å; V89-V290 HydrophobicContact CG2-CB 3.99Å; V89-V290 HydrophobicContact CG2-CG1 3.68Å; V89-V290 PolarHBondContact N-O 2.92Å; V89-L292 HydrophobicContact CG2-CD2 4.27Å; V89-L302 HydrophobicContact CG2-CD1 3.81Å; V89-F305 HydrophobicContact CG1-CE1 4.27Å; V89-F305 HydrophobicContact CG2-CE1 4.48Å; V89-F306 HydrophobicContact CG1-CZ 3.84Å; V89-F306 HydrophobicContact CG2-CE2 4.28Å; V89-F306 HydrophobicContact CG2-CZ 4.29Å; V89-F321 HydrophobicContact CG1-CE1 3.81Å; V89-F321 HydrophobicContact CG1-CZ 3.8Å
90	G	88.4	Confident	94	Very high	38 Å²	38	16.4 Å²	16.4	39%	0.392	10%	0.099	S	C	.	.	H	α-helix	trans	-57.9	-32.7	174.4	0	0	0	0	0	115.3	H88	H88-G90 PolarHBondContact ND1-N 2.81Å; H88-G90 PolarHBondContact O-N 2.81Å
91	H	92.2	Very high	94	Very high	55 Å²	55	16 Å²	16	26%	0.255	10%	0.097	S	C	.	.	H	α-helix	trans	-80.6	-19.6	177	-59.4	112.2	0	0	0	112.6	F80 L87 H88 V89 L93 A94 L95	F80-H91 HydrophobicContact CE1-CB 4.41Å; L87-H91 HydrophobicContact CB-CB 4.16Å; L87-H91 HydrophobicContact CD1-CB 4.39Å; L87-H91 HydrophobicContact CD2-CB 4.09Å; L87-H91 HydrophobicContact CG-CB 4.45Å; H88-H91 AromaticContact CD2-CE1 3.64Å; H88-H91 AromaticContact CD2-ND1 3.76Å; H88-H91 AromaticContact CE1-CE1 3.23Å; H88-H91 PolarHBondContact CE1-CE1 2.86Å; H88-H91 AromaticContact CE1-ND1 3.27Å; H88-H91 PolarHBondContact CE1-ND1 3.1Å; H88-H91 VanDerWaalsContact CE1-ND1 3.27Å; H88-H91 AromaticContact CE1-NE2 3.93Å; H88-H91 AromaticContact CG-CE1 3.92Å; H88-H91 AromaticContact CG-ND1 3.57Å; H88-H91 PolarHBondContact N-ND1 3.35Å; H88-H91 AromaticContact ND1-CE1 3.69Å; H88-H91 AromaticContact ND1-ND1 3.26Å; H88-H91 PolarHBondContact ND1-ND1 3.5Å; H88-H91 AromaticContact NE2-CE1 3.19Å; H88-H91 PolarHBondContact NE2-CE1 2.93Å; H88-H91 AromaticContact NE2-ND1 3.6Å; H88-H91 WeakPolarHBondContact O-CB 3.3Å; H88-H91 PolarHBondContact O-N 2.79Å; V89-H91 VanDerWaalsContact C-N 3.27Å; V89-H91 PolarHBondContact O-N 2.9Å; H91-L93 PolarHBondContact O-N 3.03Å; H91-A94 PolarHBondContact O-N 3.49Å; H91-L95 PolarHBondContact O-N 2.98Å
92	L	94.1	Very high	94.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.5	-28.4	-176.1	-175.4	59.3	0	0	0	112	V89 L95 L96 L151 L292 F321 V353 L356 V357	V89-L92 VanDerWaalsContact O-CB 3.24Å; V89-L92 WeakPolarHBondContact O-CB 3.39Å; V89-L92 PolarHBondContact O-N 2.87Å; L92-L95 PolarHBondContact O-N 3.28Å; L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CG-CD1 3.97Å; L92-L96 HydrophobicContact CG-CG 4.33Å; L92-L96 WeakPolarHBondContact O-CB 3.04Å; L92-L96 VanDerWaalsContact O-CG 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 3.14Å; L92-L151 HydrophobicContact CD1-CD2 4.03Å; L92-L292 HydrophobicContact CD1-CD1 4.41Å; L92-L292 HydrophobicContact CD2-CD2 4.5Å; L92-F321 HydrophobicContact CB-CE1 4.22Å; L92-F321 HydrophobicContact CD2-CD1 3.91Å; L92-F321 HydrophobicContact CD2-CE1 4.14Å; L92-F321 HydrophobicContact CG-CD1 4.24Å; L92-F321 HydrophobicContact CG-CE1 4.34Å; L92-V353 HydrophobicContact CD2-CG1 3.8Å; L92-L356 HydrophobicContact CD1-CD2 4.19Å; L92-V357 HydrophobicContact CD2-CG2 4.2Å
93	L	92.7	Very high	94.1	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-45.3	176.8	-115.8	69.5	0	0	0	113.2	L47 H91 L95 L96 G97 V271 P272 I274 L320 F321	L47-L93 HydrophobicContact CD1-CG 4.07Å; H91-L93 PolarHBondContact O-N 3.03Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 PolarHBondContact O-N 3.24Å; L93-L96 PolarHBondContact O-N 3.18Å; L93-G97 PolarHBondContact O-N 3.41Å; L93-V271 HydrophobicContact CB-CG2 4.34Å; L93-P272 HydrophobicContact CD2-CG 3.97Å; L93-P272 VanDerWaalsContact CD2-O 3.3Å; L93-P272 WeakPolarHBondContact CD2-O 3.45Å; L93-I274 HydrophobicContact CD1-CD1 3.5Å; L93-I274 HydrophobicContact CD1-CG1 4.46Å; L93-I274 HydrophobicContact CD2-CD1 3.55Å; L93-I274 HydrophobicContact CD2-CG1 3.64Å; L93-I274 HydrophobicContact CG-CD1 4.17Å; L93-L320 HydrophobicContact CD1-CB 4.3Å; L93-F321 HydrophobicContact CD1-CD1 3.77Å; L93-F321 HydrophobicContact CD1-CD2 4.2Å; L93-F321 HydrophobicContact CD1-CE1 3.19Å; L93-F321 HydrophobicContact CD1-CE2 3.69Å; L93-F321 HydrophobicContact CD1-CG 4.24Å; L93-F321 HydrophobicContact CD1-CZ 3.14Å
94	A	95.2	Very high	94.3	Very high	9 Å²	9	14 Å²	14	7%	0.074	9%	0.085	C	C	.	.	H	α-helix	trans	-64.7	-39.8	177.3	0	0	0	0	0	110.5	F80 H91 L96 G97 L98 L242 V271	F80-A94 HydrophobicContact CE1-CB 4.26Å; F80-A94 HydrophobicContact CZ-CB 4.3Å; H91-A94 PolarHBondContact O-N 3.49Å; A94-L96 PolarHBondContact O-N 3.32Å; A94-G97 WeakPolarHBondContact O-CA 3.34Å; A94-G97 PolarHBondContact O-N 3.47Å; A94-L98 PolarHBondContact O-N 3.03Å; A94-L242 HydrophobicContact CB-CD2 4.12Å; A94-L242 WeakPolarHBondContact O-CD2 3.46Å; A94-V271 HydrophobicContact CB-CG2 4.25Å
95	L	97.4	Very high	94.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-39.7	175.2	-70.9	162.8	0	0	0	112.7	F80 L87 H91 L92 L93 G97 L98 F99 L148 L151	F80-L95 HydrophobicContact CE1-CD1 4.33Å; F80-L95 HydrophobicContact CE1-CD2 4.18Å; F80-L95 HydrophobicContact CE1-CG 3.9Å; F80-L95 HydrophobicContact CE2-CD2 3.88Å; F80-L95 HydrophobicContact CE2-CG 4.47Å; F80-L95 HydrophobicContact CZ-CD1 4.43Å; F80-L95 HydrophobicContact CZ-CD2 3.48Å; F80-L95 VanDerWaalsContact CZ-CD2 3.48Å; F80-L95 HydrophobicContact CZ-CG 3.6Å; L87-L95 HydrophobicContact CD1-CD1 3.68Å; H91-L95 PolarHBondContact O-N 2.98Å; L92-L95 PolarHBondContact O-N 3.28Å; L93-L95 VanDerWaalsContact C-N 3.29Å; L93-L95 PolarHBondContact O-N 3.24Å; L95-G97 VanDerWaalsContact C-N 3.3Å; L95-G97 PolarHBondContact O-N 2.79Å; L95-L98 WeakPolarHBondContact O-CB 3.44Å; L95-L98 PolarHBondContact O-N 2.77Å; L95-F99 HydrophobicContact CB-CE2 4.3Å; L95-F99 WeakPolarHBondContact O-CD2 3.47Å; L95-F99 VanDerWaalsContact O-CG 3.28Å; L95-F99 WeakPolarHBondContact O-CG 3.32Å; L95-F99 PolarHBondContact O-N 3.02Å; L95-L148 HydrophobicContact CD1-CD2 4.03Å; L95-L148 HydrophobicContact CD2-CD2 3.39Å; L95-L148 HydrophobicContact CG-CD2 4.32Å; L95-L151 HydrophobicContact CB-CD2 4.39Å; L95-L151 HydrophobicContact CD1-CD2 3.67Å; L95-L151 HydrophobicContact CG-CD2 4.48Å
96	L	97.5	Very high	94.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.4	-35.3	173.8	-75.9	163.3	0	0	0	112.1	L92 L93 A94 F99 H100 L320 F321 F323 L356	L92-L96 HydrophobicContact CD1-CG 4.43Å; L92-L96 HydrophobicContact CG-CD1 3.97Å; L92-L96 HydrophobicContact CG-CG 4.33Å; L92-L96 WeakPolarHBondContact O-CB 3.04Å; L92-L96 VanDerWaalsContact O-CG 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.32Å; L92-L96 PolarHBondContact O-N 3.14Å; L93-L96 PolarHBondContact O-N 3.18Å; A94-L96 PolarHBondContact O-N 3.32Å; L96-F99 PolarHBondContact O-N 2.88Å; L96-H100 WeakPolarHBondContact O-CB 3.36Å; L96-H100 PolarHBondContact O-CD2 3.23Å; L96-H100 PolarHBondContact O-N 2.85Å; L96-L320 VanDerWaalsContact CD1-O 3.31Å; L96-L320 WeakPolarHBondContact CD1-O 3.41Å; L96-F321 VanDerWaalsContact CD1-CA 3.49Å; L96-F321 HydrophobicContact CD1-CB 4.32Å; L96-F321 HydrophobicContact CD1-CD1 3.82Å; L96-F321 HydrophobicContact CD1-CG 4.41Å; L96-F323 HydrophobicContact CD2-CE1 4Å; L96-F323 HydrophobicContact CD2-CE2 3.9Å; L96-F323 HydrophobicContact CD2-CZ 3.49Å; L96-F323 VanDerWaalsContact CD2-CZ 3.49Å; L96-L356 HydrophobicContact CD2-CD2 3.77Å
97	G	96.8	Very high	94.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-50.7	168.7	0	0	0	0	0	111.7	L93 A94 L95 H100 L101	L93-G97 PolarHBondContact O-N 3.41Å; A94-G97 WeakPolarHBondContact O-CA 3.34Å; A94-G97 PolarHBondContact O-N 3.47Å; L95-G97 VanDerWaalsContact C-N 3.3Å; L95-G97 PolarHBondContact O-N 2.79Å; G97-H100 PolarHBondContact O-N 3.26Å; G97-L101 WeakPolarHBondContact O-CG 3.29Å; G97-L101 PolarHBondContact O-N 2.81Å
98	L	98	Very high	94.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-47.5	174.4	-66.4	-177.5	0	0	0	111.8	I76 C78 F80 A94 L95 H100 L101 Q102 V108 A110 L242	I76-L98 HydrophobicContact CG2-CD2 4.03Å; C78-L98 HydrophobicContact CB-CD1 3.77Å; C78-L98 HydrophobicContact CB-CD2 4.12Å; C78-L98 HydrophobicContact CB-CG 4.08Å; F80-L98 HydrophobicContact CE2-CD1 4.4Å; A94-L98 PolarHBondContact O-N 3.03Å; L95-L98 WeakPolarHBondContact O-CB 3.44Å; L95-L98 PolarHBondContact O-N 2.77Å; L98-H100 VanDerWaalsContact C-N 3.35Å; L98-H100 PolarHBondContact O-N 3.2Å; L98-L101 PolarHBondContact O-N 3.39Å; L98-L101 VanDerWaalsContact O-N 3.14Å; L98-Q102 WeakPolarHBondContact O-CB 3.5Å; L98-Q102 PolarHBondContact O-N 3.3Å; L98-V108 HydrophobicContact CB-CB 4.13Å; L98-V108 HydrophobicContact CB-CG1 4.26Å; L98-V108 HydrophobicContact CB-CG2 4.34Å; L98-V108 HydrophobicContact CD2-CB 4.1Å; L98-V108 HydrophobicContact CD2-CG1 4.18Å; L98-V108 WeakPolarHBondContact O-CG1 3.26Å; L98-A110 HydrophobicContact CD1-CB 4.48Å; L98-L242 HydrophobicContact CD2-CB 4.36Å; L98-L242 HydrophobicContact CD2-CD2 4.2Å; L98-L242 HydrophobicContact CG-CD2 4.16Å
99	F	97.8	Very high	95.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.9	-38.8	-179.6	-67.2	-32.2	0	0	0	112.6	L95 L96 L101 Q102 R103 L151 A152 H155 F168 F323 L356	L95-F99 HydrophobicContact CB-CE2 4.3Å; L95-F99 WeakPolarHBondContact O-CD2 3.47Å; L95-F99 VanDerWaalsContact O-CG 3.28Å; L95-F99 WeakPolarHBondContact O-CG 3.32Å; L95-F99 PolarHBondContact O-N 3.02Å; L96-F99 PolarHBondContact O-N 2.88Å; F99-L101 VanDerWaalsContact C-N 3.32Å; F99-L101 PolarHBondContact O-N 3.45Å; F99-Q102 WeakPolarHBondContact O-CB 3.45Å; F99-Q102 PolarHBondContact O-N 2.67Å; F99-R103 WeakPolarHBondContact O-CB 3.36Å; F99-R103 WeakPolarHBondContact O-CG 3.44Å; F99-R103 PolarHBondContact O-N 3.03Å; F99-L151 HydrophobicContact CE2-CD2 3.89Å; F99-L151 HydrophobicContact CE2-CG 3.96Å; F99-L151 HydrophobicContact CZ-CD2 4.07Å; F99-L151 HydrophobicContact CZ-CG 4.02Å; F99-A152 HydrophobicContact CE1-CB 4.08Å; F99-A152 HydrophobicContact CZ-CB 4.33Å; F99-H155 HydrophobicContact CD1-CB 4.4Å; F99-H155 AromaticContact CD1-CE1 3.9Å; F99-H155 AromaticContact CD1-CG 3.91Å; F99-H155 AromaticContact CD1-ND1 3.38Å; F99-H155 WeakPolarHBondContact CD1-ND1 3.34Å; F99-H155 HydrophobicContact CD2-CB 4.38Å; F99-H155 HydrophobicContact CE1-CB 4.27Å; F99-H155 AromaticContact CE1-ND1 3.94Å; F99-H155 HydrophobicContact CE2-CB 4.25Å; F99-H155 HydrophobicContact CG-CB 4.46Å; F99-H155 AromaticContact CG-CE1 3.87Å; F99-H155 AromaticContact CG-CG 3.84Å; F99-H155 AromaticContact CG-ND1 3.63Å; F99-H155 HydrophobicContact CZ-CB 4.19Å; F99-F168 HydrophobicContact CD1-CD2 4.19Å; F99-F168 HydrophobicContact CD1-CE2 4.25Å; F99-F168 AromaticContact CE1-CD2 3.71Å; F99-F168 HydrophobicContact CE1-CD2 3.71Å; F99-F168 AromaticContact CE1-CE2 3.52Å; F99-F168 HydrophobicContact CE1-CE2 3.52Å; F99-F168 HydrophobicContact CE1-CZ 4.28Å; F99-F168 HydrophobicContact CZ-CE2 4.29Å; F99-F323 HydrophobicContact CB-CE1 3.83Å; F99-F323 HydrophobicContact CB-CZ 3.67Å; F99-F323 HydrophobicContact CD2-CZ 4.13Å; F99-F323 HydrophobicContact CG-CZ 4.31Å; F99-L356 HydrophobicContact CE2-CD1 4.41Å
100	H	96	Very high	95.5	Very high	14 Å²	14	10.8 Å²	10.8	7%	0.065	7%	0.068	C	C	.	.	H	α-helix	trans	-62	-39.3	173.8	-86.9	-66.4	0	0	0	112.7	Q42 L47 L96 G97 L98 A104 F323	Q42-H100 VanDerWaalsContact NE2-CG 3.3Å; Q42-H100 PolarHBondContact NE2-ND1 3.47Å; Q42-H100 VanDerWaalsContact NE2-ND1 3.18Å; L47-H100 VanDerWaalsContact CD2-CD2 3.45Å; L47-H100 WeakPolarHBondContact CD2-CD2 3.34Å; L96-H100 WeakPolarHBondContact O-CB 3.36Å; L96-H100 PolarHBondContact O-CD2 3.23Å; L96-H100 PolarHBondContact O-N 2.85Å; G97-H100 PolarHBondContact O-N 3.26Å; L98-H100 VanDerWaalsContact C-N 3.35Å; L98-H100 PolarHBondContact O-N 3.2Å; H100-A104 PolarHBondContact O-N 2.83Å; H100-F323 AromaticContact CE1-CD1 3.51Å; H100-F323 AromaticContact ND1-CD1 3.9Å; H100-F323 AromaticContact NE2-CD1 3.74Å
101	L	95.7	Very high	96	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.8	-40.5	174.6	-64.3	173.1	0	0	0	111.5	L38 F48 F65 I76 G97 L98 F99 R103 A104 G105 H106 V108	L38-L101 HydrophobicContact CD2-CD2 3.66Å; L38-L101 HydrophobicContact CG-CD2 4.32Å; F48-L101 HydrophobicContact CE2-CD2 4.09Å; F48-L101 HydrophobicContact CZ-CD1 4.16Å; F48-L101 HydrophobicContact CZ-CD2 3.99Å; F48-L101 HydrophobicContact CZ-CG 4.01Å; F65-L101 HydrophobicContact CD1-CD2 4.29Å; F65-L101 HydrophobicContact CE1-CD2 3.58Å; F65-L101 HydrophobicContact CZ-CD2 4.12Å; I76-L101 HydrophobicContact CB-CD1 4.11Å; I76-L101 HydrophobicContact CD1-CB 4.32Å; I76-L101 HydrophobicContact CD1-CD1 4.13Å; I76-L101 HydrophobicContact CG1-CD1 3.95Å; I76-L101 HydrophobicContact CG2-CD1 3.76Å; G97-L101 WeakPolarHBondContact O-CG 3.29Å; G97-L101 PolarHBondContact O-N 2.81Å; L98-L101 PolarHBondContact O-N 3.39Å; L98-L101 VanDerWaalsContact O-N 3.14Å; F99-L101 VanDerWaalsContact C-N 3.32Å; F99-L101 PolarHBondContact O-N 3.45Å; L101-R103 PolarHBondContact O-N 3.18Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 2.83Å; L101-A104 VanDerWaalsContact O-N 3.1Å; L101-G105 PolarHBondContact O-N 3.07Å; L101-H106 HydrophobicContact CB-CB 4.49Å; L101-H106 WeakPolarHBondContact O-CB 3.46Å; L101-H106 PolarHBondContact O-CD2 2.95Å; L101-H106 PolarHBondContact O-N 2.83Å; L101-H106 VanDerWaalsContact O-N 3.14Å; L101-V108 HydrophobicContact CB-CG1 4.05Å
102	Q	96.3	Very high	96.3	Very high	7 Å²	7	6.5 Å²	6.5	3%	0.033	4%	0.038	C	C	.	.	H	α-helix	trans	-57.8	-49.2	175.5	-167.4	-162.5	5.3	0	0	111.6	L98 F99 A104 G105 H106 V108 H155 W165 G166	L98-Q102 WeakPolarHBondContact O-CB 3.5Å; L98-Q102 PolarHBondContact O-N 3.3Å; F99-Q102 WeakPolarHBondContact O-CB 3.45Å; F99-Q102 PolarHBondContact O-N 2.67Å; Q102-A104 PolarHBondContact O-N 3.41Å; Q102-G105 WeakPolarHBondContact O-CA 3.49Å; Q102-G105 PolarHBondContact O-N 2.98Å; Q102-H106 WeakPolarHBondContact CA-O 3.21Å; Q102-V108 HydrophobicContact CB-CG1 4.31Å; Q102-V108 HydrophobicContact CB-CG2 3.84Å; Q102-V108 HydrophobicContact CG-CG2 4.04Å; Q102-H155 PolarHBondContact OE1-CE1 2.92Å; Q102-H155 VanDerWaalsContact OE1-CE1 3.32Å; Q102-H155 PolarHBondContact OE1-ND1 3.09Å; Q102-H155 VanDerWaalsContact OE1-ND1 3.14Å; Q102-W165 HydrophobicContact CG-CB 4.37Å; Q102-W165 WeakPolarHBondContact O-CA 3.46Å; Q102-W165 WeakPolarHBondContact O-CB 3.41Å; Q102-G166 VanDerWaalsContact CG-O 3.23Å; Q102-G166 WeakPolarHBondContact CG-O 3.25Å; Q102-G166 PolarHBondContact NE2-O 3.45Å; Q102-G166 VanDerWaalsContact NE2-O 3.11Å; Q102-G166 PolarHBondContact O-N 3.21Å
103	R	94.2	Very high	96.4	Very high	24 Å²	24	6.6 Å²	6.6	9%	0.091	4%	0.039	C	C	.	.	H	α-helix	trans	-62.1	-26.1	177.3	-66.4	169	76.4	83.8	11.9	113.1	F99 L101 G105 H155 F159 D161 W165	F99-R103 WeakPolarHBondContact O-CB 3.36Å; F99-R103 WeakPolarHBondContact O-CG 3.44Å; F99-R103 PolarHBondContact O-N 3.03Å; L101-R103 PolarHBondContact O-N 3.18Å; R103-G105 PolarHBondContact O-N 3.3Å; R103-H155 WeakPolarHBondContact CD-NE2 3.31Å; R103-H155 WeakPolarHBondContact CG-NE2 3.46Å; R103-H155 PolarHBondContact NH1-NE2 2.76Å; R103-F159 VanDerWaalsContact CZ-O 3.27Å; R103-F159 VanDerWaalsContact NH1-CB 3.31Å; R103-F159 PolarHBondContact NH1-O 3.49Å; R103-F159 PolarHBondContact NH2-O 3.44Å; R103-D161 IonicContact CZ-OD2 3.51Å; R103-D161 IonicContact NE-OD2 3.3Å; R103-D161 IonicContact NH2-OD2 2.71Å; R103-D161 PolarHBondContact NH2-OD2 2.83Å; R103-W165 HydrophobicContact CG-CD2 4.03Å; R103-W165 HydrophobicContact CG-CE3 4.29Å; R103-W165 HydrophobicContact CG-CH2 4.17Å; R103-W165 HydrophobicContact CG-CZ2 3.89Å; R103-W165 HydrophobicContact CG-CZ3 4.33Å; R103-W165 VanDerWaalsContact NH1-CH2 3.3Å; R103-W165 VanDerWaalsContact NH1-CZ2 3.29Å
104	A	91.6	Very high	96.4	Very high	15 Å²	15	6.8 Å²	6.8	12%	0.124	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.6	175.3	0	0	0	0	0	113.1	L38 R67 H100 L101 Q102	L38-A104 HydrophobicContact CD1-CB 3.83Å; L38-A104 HydrophobicContact CD2-CB 3.5Å; L38-A104 VanDerWaalsContact CD2-CB 3.5Å; L38-A104 HydrophobicContact CG-CB 4.25Å; R67-A104 PolarHBondContact NH2-O 2.91Å; H100-A104 PolarHBondContact O-N 2.83Å; L101-A104 WeakPolarHBondContact O-CB 3.32Å; L101-A104 PolarHBondContact O-N 2.83Å; L101-A104 VanDerWaalsContact O-N 3.1Å; Q102-A104 PolarHBondContact O-N 3.41Å
105	G	92.4	Very high	96.2	Very high	11 Å²	11	7 Å²	7	11%	0.113	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.5	3	176.5	0	0	0	0	0	114.2	P73 L101 Q102 R103	P73-G105 VanDerWaalsContact CB-O 3.28Å; P73-G105 WeakPolarHBondContact CB-O 3.37Å; L101-G105 PolarHBondContact O-N 3.07Å; Q102-G105 WeakPolarHBondContact O-CA 3.49Å; Q102-G105 PolarHBondContact O-N 2.98Å; R103-G105 PolarHBondContact O-N 3.3Å
106	H	95.3	Very high	95.8	Very high	3 Å²	3	7.1 Å²	7.1	1%	0.014	5%	0.045	C	C	.	.			trans	-86.4	153.9	-179.1	-57.9	-71.5	0	0	0	112.3	F65 F72 Q74 I76 L101 Q102 G166	F65-H106 AromaticContact CD1-CD2 3.82Å; F65-H106 AromaticContact CD1-CE1 3.62Å; F65-H106 AromaticContact CD1-NE2 3.42Å; F65-H106 WeakPolarHBondContact CD1-NE2 3.45Å; F72-H106 AromaticContact CD2-CE1 3.67Å; F72-H106 AromaticContact CE2-CE1 3.48Å; F72-H106 VanDerWaalsContact CE2-CE1 3.48Å; F72-H106 WeakPolarHBondContact CE2-CE1 3.36Å; F72-H106 AromaticContact CE2-ND1 3.97Å; F72-H106 AromaticContact CE2-NE2 3.99Å; Q74-H106 PolarHBondContact N-ND1 2.82Å; Q74-H106 WeakPolarHBondContact O-CB 3.12Å; I76-H106 HydrophobicContact CD1-CB 3.5Å; L101-H106 HydrophobicContact CB-CB 4.49Å; L101-H106 WeakPolarHBondContact O-CB 3.46Å; L101-H106 PolarHBondContact O-CD2 2.95Å; L101-H106 PolarHBondContact O-N 2.83Å; L101-H106 VanDerWaalsContact O-N 3.14Å; Q102-H106 WeakPolarHBondContact CA-O 3.21Å; H106-G166 VanDerWaalsContact O-CA 3.3Å; H106-G166 WeakPolarHBondContact O-CA 3.43Å
107	N	97.6	Very high	95.4	Very high	40 Å²	40	7.7 Å²	7.7	21%	0.214	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.7	174.4	-59.9	-37.3	0	0	0	109.3	Q74 T75 I76 S167	Q74-N107 PolarHBondContact O-N 3.08Å; T75-N107 CarbonylContact C-O 3.28Å; T75-N107 WeakPolarHBondContact CA-O 3.48Å; I76-N107 PolarHBondContact N-O 3.27Å; N107-S167 WeakPolarHBondContact CB-OG 3.19Å; N107-S167 PolarHBondContact OD1-N 3.17Å; N107-S167 PolarHBondContact OD1-OG 3.14Å; N107-S167 VanDerWaalsContact OD1-OG 3.12Å
108	V	98.5	Very high	94.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.2	-179.5	-62.4	0	0	0	0	112.2	I76 L98 L101 Q102 S167 F168 T169	I76-V108 HydrophobicContact CB-CG1 4.45Å; I76-V108 CarbonylContact O-C 3.38Å; I76-V108 VanDerWaalsContact O-CA 3.26Å; I76-V108 WeakPolarHBondContact O-CA 3.2Å; L98-V108 HydrophobicContact CB-CB 4.13Å; L98-V108 HydrophobicContact CB-CG1 4.26Å; L98-V108 HydrophobicContact CB-CG2 4.34Å; L98-V108 HydrophobicContact CD2-CB 4.1Å; L98-V108 HydrophobicContact CD2-CG1 4.18Å; L98-V108 WeakPolarHBondContact O-CG1 3.26Å; L101-V108 HydrophobicContact CB-CG1 4.05Å; Q102-V108 HydrophobicContact CB-CG1 4.31Å; Q102-V108 HydrophobicContact CB-CG2 3.84Å; Q102-V108 HydrophobicContact CG-CG2 4.04Å; V108-S167 PolarHBondContact N-O 3.04Å; V108-F168 HydrophobicContact CG2-CB 4.14Å; V108-F168 HydrophobicContact CG2-CD2 3.55Å; V108-F168 HydrophobicContact CG2-CE2 4.4Å; V108-F168 HydrophobicContact CG2-CG 4.24Å; V108-F168 WeakPolarHBondContact O-CA 3.43Å; V108-T169 PolarHBondContact O-N 2.96Å
109	I	98.8	Very high	94.3	Very high	5 Å²	5	17 Å²	17	3%	0.026	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.1	-178.8	-60.3	175.6	0	0	0	108.9	T75 I76 Y77 C78 T169 L171 L232 Y236	T75-I109 HydrophobicContact CG2-CD1 3.58Å; T75-I109 HydrophobicContact CG2-CG1 4.08Å; I76-I109 PolarHBondContact O-N 3.49Å; Y77-I109 CarbonylContact C-O 3.58Å; Y77-I109 WeakPolarHBondContact CA-O 3.17Å; C78-I109 PolarHBondContact N-O 3.49Å; I109-T169 CarbonylContact C-O 3.55Å; I109-T169 VanDerWaalsContact CA-O 3.29Å; I109-T169 WeakPolarHBondContact CA-O 3.49Å; I109-L171 HydrophobicContact CD1-CD1 4.31Å; I109-L171 HydrophobicContact CG2-CB 4.31Å; I109-L171 HydrophobicContact CG2-CD1 3.82Å; I109-L171 HydrophobicContact CG2-CG 4.02Å; I109-L232 HydrophobicContact CD1-CD2 4.21Å; I109-Y236 HydrophobicContact CD1-CD1 4.39Å; I109-Y236 HydrophobicContact CD1-CD2 4.49Å; I109-Y236 HydrophobicContact CD1-CG 4.07Å
110	A	98.6	Very high	93.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.2	163.4	0	0	0	0	0	108.3	F80 L98 L148 F168 T169 V170 L171	F80-A110 HydrophobicContact CD2-CB 4.23Å; F80-A110 HydrophobicContact CE2-CB 3.97Å; L98-A110 HydrophobicContact CD1-CB 4.48Å; A110-L148 HydrophobicContact CB-CD1 4.01Å; A110-L148 HydrophobicContact CB-CD2 4.18Å; A110-F168 HydrophobicContact CB-CE1 4.5Å; A110-F168 HydrophobicContact CB-CE2 4.34Å; A110-F168 HydrophobicContact CB-CZ 3.81Å; A110-T169 PolarHBondContact N-O 3.4Å; A110-V170 HydrophobicContact CB-CG2 4.43Å; A110-V170 WeakPolarHBondContact O-CA 3.39Å; A110-L171 PolarHBondContact O-N 3.14Å
111	L	98.7	Very high	93.1	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	115	-179.1	179.2	62.2	0	0	0	110.2	Y77 C78 G79 F80 L171 N173 W176 D228 L232	Y77-L111 HydrophobicContact CD2-CB 4.08Å; Y77-L111 HydrophobicContact CD2-CD2 4.18Å; Y77-L111 HydrophobicContact CE2-CD2 4.01Å; C78-L111 PolarHBondContact O-N 3.41Å; G79-L111 CarbonylContact C-O 3.57Å; G79-L111 WeakPolarHBondContact CA-O 3.18Å; F80-L111 PolarHBondContact N-O 3.26Å; L111-L171 HydrophobicContact CD1-CB 3.9Å; L111-N173 HydrophobicContact CD1-CB 4.09Å; L111-N173 HydrophobicContact CD2-CB 4.32Å; L111-N173 HydrophobicContact CG-CB 4.44Å; L111-W176 HydrophobicContact CD1-CH2 3.43Å; L111-W176 VanDerWaalsContact CD1-CH2 3.43Å; L111-W176 HydrophobicContact CD1-CZ2 4.08Å; L111-W176 HydrophobicContact CD1-CZ3 4.29Å; L111-W176 HydrophobicContact CD2-CH2 4.16Å; L111-W176 HydrophobicContact CD2-CZ2 4.12Å; L111-W176 HydrophobicContact CG-CH2 4.44Å; L111-D228 HydrophobicContact CD2-CB 3.9Å; L111-L232 HydrophobicContact CD2-CD1 4.16Å
112	V	98.3	Very high	92.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124	170.9	-179.1	0	0	0	0	109.2	F80 P82 G114 A141 L148 V170 L171 D172 N173	F80-V112 WeakPolarHBondContact O-CA 3.49Å; P82-V112 HydrophobicContact CG-CG1 4.37Å; V112-G114 PolarHBondContact O-N 2.79Å; V112-A141 HydrophobicContact CG1-CB 3.79Å; V112-L148 HydrophobicContact CG2-CD1 3.93Å; V112-V170 HydrophobicContact CG2-CG1 3.85Å; V112-L171 WeakPolarHBondContact CB-O 3.39Å; V112-L171 PolarHBondContact N-O 2.85Å; V112-D172 HydrophobicContact CB-CB 4.4Å; V112-D172 WeakPolarHBondContact O-CA 3.04Å; V112-N173 PolarHBondContact O-N 3.37Å; V112-N173 PolarHBondContact O-OD1 3.45Å
113	G	96.3	Very high	91.6	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.021	9%	0.092	C	C	.	.			trans	-80.6	50.8	-177.9	0	0	0	0	0	114.4	F80 P82 A115 T116 A117 N173	F80-G113 PolarHBondContact O-N 3.01Å; P82-G113 WeakPolarHBondContact CD-O 3.48Å; G113-A115 PolarHBondContact O-N 3.23Å; G113-T116 WeakPolarHBondContact CA-OG1 3.44Å; G113-T116 PolarHBondContact O-N 3.28Å; G113-T116 PolarHBondContact O-OG1 2.83Å; G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 2.66Å; G113-N173 WeakPolarHBondContact CA-OD1 3.35Å
114	G	93.2	Very high	90.4	Very high	10 Å²	10	18.8 Å²	18.8	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30	-175.8	0	0	0	0	0	114.7	V112 N173	V112-G114 PolarHBondContact O-N 2.79Å; G114-N173 PolarHBondContact N-OD1 3.12Å
115	A	92.1	Very high	89.4	Confident	12 Å²	12	23.6 Å²	23.6	10%	0.099	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-47.7	172.8	0	0	0	0	0	112.5	G113 A117 R118 N173 Y177	G113-A115 PolarHBondContact O-N 3.23Å; A115-A117 VanDerWaalsContact C-N 3.34Å; A115-A117 PolarHBondContact O-N 3.29Å; A115-R118 WeakPolarHBondContact O-CB 3.21Å; A115-R118 PolarHBondContact O-N 2.96Å; A115-R118 VanDerWaalsContact O-N 3.12Å; A115-N173 WeakPolarHBondContact CB-OD1 3.19Å; A115-N173 PolarHBondContact N-OD1 3.11Å; A115-Y177 HydrophobicContact CB-CD2 3.4Å; A115-Y177 VanDerWaalsContact CB-CD2 3.4Å; A115-Y177 HydrophobicContact CB-CE2 4.21Å; A115-Y177 HydrophobicContact CB-CG 3.99Å
116	T	88.8	Confident	88.3	Confident	4 Å²	4	28.2 Å²	28.2	3%	0.025	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-63.2	-35.9	-175.5	43.4	0	0	0	0	113	D81 G113 R118 L119 G120 N173 Y221 L224	D81-T116 PolarHBondContact OD1-OG1 2.83Å; G113-T116 WeakPolarHBondContact CA-OG1 3.44Å; G113-T116 PolarHBondContact O-N 3.28Å; G113-T116 PolarHBondContact O-OG1 2.83Å; T116-R118 PolarHBondContact O-N 3.24Å; T116-R118 VanDerWaalsContact O-N 3.11Å; T116-L119 PolarHBondContact O-N 3.02Å; T116-G120 PolarHBondContact O-N 3.25Å; T116-N173 VanDerWaalsContact CG2-ND2 3.26Å; T116-N173 WeakPolarHBondContact CG2-ND2 3.5Å; T116-N173 PolarHBondContact OG1-ND2 3.43Å; T116-Y221 HydrophobicContact CG2-CE2 4.33Å; T116-L224 HydrophobicContact CG2-CB 3.88Å; T116-L224 HydrophobicContact CG2-CD2 4.39Å
117	A	89	Confident	87.3	Confident	12 Å²	12	34.8 Å²	34.8	10%	0.099	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17.8	176.9	0	0	0	0	0	114.1	D81 P82 G113 A115 L119 V137	D81-A117 HydrophobicContact CB-CB 4.1Å; P82-A117 HydrophobicContact CG-CB 3.75Å; G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 2.66Å; A115-A117 VanDerWaalsContact C-N 3.34Å; A115-A117 PolarHBondContact O-N 3.29Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-V137 HydrophobicContact CB-CG1 4.19Å
118	R	86.1	Confident	86.1	Confident	149 Å²	149	37.2 Å²	37.2	56%	0.562	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-75.3	-22.7	174.4	-58	174.8	67.3	-156.7	-0.6	112.6	A115 T116 V137	A115-R118 WeakPolarHBondContact O-CB 3.21Å; A115-R118 PolarHBondContact O-N 2.96Å; A115-R118 VanDerWaalsContact O-N 3.12Å; T116-R118 PolarHBondContact O-N 3.24Å; T116-R118 VanDerWaalsContact O-N 3.11Å; R118-V137 HydrophobicContact CG-CG1 4.15Å; R118-V137 HydrophobicContact CG-CG2 4.44Å
119	L	85.6	Confident	84.9	Confident	46 Å²	46	40.9 Å²	40.9	24%	0.241	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-39.9	177.7	-79	64.2	0	0	0	110.7	T116 A117 A217 F220 Y221 L224	T116-L119 PolarHBondContact O-N 3.02Å; A117-L119 VanDerWaalsContact C-N 3.32Å; L119-A217 WeakPolarHBondContact CD2-O 3.48Å; L119-A217 HydrophobicContact CG-CB 4.44Å; L119-F220 HydrophobicContact CD2-CB 4.14Å; L119-Y221 HydrophobicContact CB-CD2 4.35Å; L119-L224 HydrophobicContact CD1-CD2 4.23Å; L119-L224 HydrophobicContact CD2-CD1 3.95Å; L119-L224 HydrophobicContact CD2-CD2 3.8Å; L119-L224 HydrophobicContact CD2-CG 4.41Å
120	G	83.1	Confident	83.7	Confident	4 Å²	4	49.3 Å²	49.3	4%	0.041	25%	0.248	C	C	.	.			trans	86.3	122.1	-178.4	0	0	0	0	0	113	T116 P122	T116-G120 PolarHBondContact O-N 3.25Å; G120-P122 WeakPolarHBondContact O-CD 3.46Å
121	D	84.4	Confident	82.5	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.064	29%	0.285	C	S	.	.			trans	-72.7	120.1	175.8	-174.1	5	0	0	0	112.4	S123 Y221 Q247 N250	D121-S123 VanDerWaalsContact C-N 3.25Å; D121-S123 PolarHBondContact O-N 3.47Å; D121-S123 WeakPolarHBondContact OD1-CB 3.46Å; D121-S123 PolarHBondContact OD1-N 2.91Å; D121-S123 PolarHBondContact OD1-OG 3.1Å; D121-Y221 HydrophobicContact CB-CD1 4.01Å; D121-Y221 HydrophobicContact CB-CD2 4.17Å; D121-Y221 HydrophobicContact CB-CE1 3.54Å; D121-Y221 HydrophobicContact CB-CE2 3.7Å; D121-Y221 HydrophobicContact CB-CG 4.32Å; D121-Y221 VanDerWaalsContact CB-CZ 3.4Å; D121-Y221 WeakPolarHBondContact OD1-CE1 3.48Å; D121-Q247 PolarHBondContact OD2-NE2 3.15Å; D121-Q247 PolarHBondContact OD2-OE1 2.83Å; D121-N250 PolarHBondContact OD1-ND2 2.9Å
122	P	82.6	Confident	81.5	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.032	30%	0.302	C	S	.	.			trans	-76.9	-8.1	176.6	31.9	-35.6	0	0	0	113.6	G120 G124 R125 R207 M214	G120-P122 WeakPolarHBondContact O-CD 3.46Å; P122-G124 PolarHBondContact O-N 3.23Å; P122-R125 PolarHBondContact O-N 3.39Å; P122-R207 HydrophobicContact CB-CB 4.45Å; P122-R207 HydrophobicContact CB-CG 4.21Å; P122-M214 HydrophobicContact CB-CE 3.89Å; P122-M214 HydrophobicContact CG-CE 4.02Å
123	S	77.8	Confident	80.9	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.042	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	124.4	-171.1	-54.8	0	0	0	0	113.2	D121 R125 D246 N250	D121-S123 VanDerWaalsContact C-N 3.25Å; D121-S123 PolarHBondContact O-N 3.47Å; D121-S123 WeakPolarHBondContact OD1-CB 3.46Å; D121-S123 PolarHBondContact OD1-N 2.91Å; D121-S123 PolarHBondContact OD1-OG 3.1Å; S123-R125 VanDerWaalsContact C-N 3.31Å; S123-R125 PolarHBondContact O-N 3.33Å; S123-D246 WeakPolarHBondContact CB-O 3.36Å; S123-N250 PolarHBondContact OG-ND2 3.48Å
124	G	69.1	Low	80.4	Confident	56 Å²	56	66.3 Å²	66.3	58%	0.577	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	24.2	179.6	0	0	0	0	0	114.7	P122	P122-G124 PolarHBondContact O-N 3.23Å
125	R	71.3	Confident	80.2	Confident	116 Å²	116	73.3 Å²	73.3	44%	0.438	38%	0.378	S	S	.	.			trans	-124	154.8	-179.2	-61.9	-65.7	-176.8	145.7	5.4	112.2	P122 S123	P122-R125 PolarHBondContact O-N 3.39Å; S123-R125 VanDerWaalsContact C-N 3.31Å; S123-R125 PolarHBondContact O-N 3.33Å
126	T	69.5	Low	80.2	Confident	107 Å²	107	78.9 Å²	78.9	66%	0.656	40%	0.396	S	S	*	.	S	Bend	trans	-119.1	-5.2	178.2	52.8	0	0	0	0	113.7	S210	T126-S210 WeakPolarHBondContact O-CB 3.34Å
127	K	73.4	Confident	80.3	Confident	142 Å²	142	78.8 Å²	78.8	62%	0.617	40%	0.396	S	S	*	.	S	Bend	trans	-132.2	152.6	179	-64.8	-169.2	176.5	-166.8	0	110.1	E212	K127-E212 WeakPolarHBondContact CA-OE2 3.44Å
128	E	73.8	Confident	80.4	Confident	90 Å²	90	84.9 Å²	84.9	42%	0.421	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-62.2	150.7	174.4	-157.7	149.6	-165.3	0	0	110.6	R207 E212 S215	E128-R207 VanDerWaalsContact N-CZ 3.3Å; E128-R207 VanDerWaalsContact N-NH2 3.17Å; E128-R207 IonicContact OE2-NH2 2.72Å; E128-E212 PolarHBondContact N-OE2 3.33Å; E128-S215 WeakPolarHBondContact OE1-CB 3.12Å; E128-S215 PolarHBondContact OE1-OG 3.45Å
129	R	71.7	Confident	80.9	Confident	77 Å²	77	79.5 Å²	79.5	29%	0.291	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-81.4	136.3	165	-78.1	-171.8	-177.9	165.5	5.2	109.4	A131	R129-A131 PolarHBondContact O-N 3Å
130	E	73.9	Confident	81.4	Confident	183 Å²	183	77.5 Å²	77.5	86%	0.855	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-57.2	126.1	162.6	-69.9	179.2	179.6	0	0	109.1	L132	E130-L132 PolarHBondContact O-N 3.36Å
131	A	73.8	Confident	82	Confident	96 Å²	96	77.5 Å²	77.5	79%	0.793	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-63	125.3	177.5	0	0	0	0	0	109.1	R129	R129-A131 PolarHBondContact O-N 3Å
132	L	78.6	Confident	82.6	Confident	70 Å²	70	84.3 Å²	84.3	37%	0.366	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-82.9	138.4	174	-68.5	175.4	0	0	0	109.8	E130 T134 V137	E130-L132 PolarHBondContact O-N 3.36Å; L132-T134 PolarHBondContact O-N 2.96Å; L132-V137 HydrophobicContact CB-CG2 3.56Å; L132-V137 HydrophobicContact CD1-CG2 4.34Å
133	E	85.4	Confident	83.3	Confident	151 Å²	151	85.6 Å²	85.6	71%	0.706	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-53.3	140.3	171.3	-75.6	-60.9	157.3	0	0	111.3	E135 R136 V137	E133-E135 PolarHBondContact O-N 3.43Å; E133-R136 HydrophobicContact CB-CB 4.28Å; E133-R136 WeakPolarHBondContact O-CA 3.3Å; E133-R136 WeakPolarHBondContact O-CB 3.23Å; E133-R136 PolarHBondContact O-N 3.27Å; E133-V137 PolarHBondContact O-N 3.31Å
134	T	84.9	Confident	84.2	Confident	45 Å²	45	85.5 Å²	85.5	28%	0.276	43%	0.428	S	S	.	.	H	α-helix	trans	-59.2	-37	-173.1	-65.4	0	0	0	0	111.7	L132 R136 V137 R138	L132-T134 PolarHBondContact O-N 2.96Å; T134-R136 VanDerWaalsContact C-N 3.34Å; T134-V137 PolarHBondContact O-N 3.32Å; T134-R138 WeakPolarHBondContact O-CG 3.18Å; T134-R138 PolarHBondContact O-N 3.14Å
135	E	89.5	Confident	85.6	Confident	157 Å²	157	87.5 Å²	87.5	73%	0.734	42%	0.418	S	S	*	.	H	α-helix	trans	-65.5	-37.6	175.5	-63.3	-171.3	144.5	0	0	112.3	E133 R138 A139	E133-E135 PolarHBondContact O-N 3.43Å; E135-R138 PolarHBondContact O-N 3.44Å; E135-A139 WeakPolarHBondContact O-CB 3.26Å; E135-A139 PolarHBondContact O-N 2.81Å
136	R	91.6	Very high	86.8	Confident	129 Å²	129	87.5 Å²	87.5	49%	0.487	43%	0.426	S	S	.	.	H	α-helix	trans	-67.3	-43.2	176.2	-173.6	65.7	-171.2	-151.9	4.8	111.4	D85 E133 T134 R138 A139 N140	D85-R136 IonicContact OD2-NH2 2.64Å; D85-R136 PolarHBondContact OD2-NH2 2.84Å; E133-R136 HydrophobicContact CB-CB 4.28Å; E133-R136 WeakPolarHBondContact O-CA 3.3Å; E133-R136 WeakPolarHBondContact O-CB 3.23Å; E133-R136 PolarHBondContact O-N 3.27Å; T134-R136 VanDerWaalsContact C-N 3.34Å; R136-R138 VanDerWaalsContact C-N 3.31Å; R136-R138 PolarHBondContact O-N 3.27Å; R136-A139 PolarHBondContact O-N 3.41Å; R136-N140 PolarHBondContact NE-OD1 3.49Å; R136-N140 VanDerWaalsContact NE-OD1 3.17Å; R136-N140 WeakPolarHBondContact O-CB 3.4Å; R136-N140 PolarHBondContact O-N 2.94Å; R136-N140 PolarHBondContact O-OD1 2.93Å
137	V	91.1	Very high	88.1	Confident	2 Å²	2	84.3 Å²	84.3	1%	0.012	42%	0.415	C	S	.	.	H	α-helix	trans	-58.8	-44.2	174.5	177.7	0	0	0	0	110.6	P82 A117 R118 L132 E133 T134 N140 A141	P82-V137 HydrophobicContact CG-CG1 4.04Å; A117-V137 HydrophobicContact CB-CG1 4.19Å; R118-V137 HydrophobicContact CG-CG1 4.15Å; R118-V137 HydrophobicContact CG-CG2 4.44Å; L132-V137 HydrophobicContact CB-CG2 3.56Å; L132-V137 HydrophobicContact CD1-CG2 4.34Å; E133-V137 PolarHBondContact O-N 3.31Å; T134-V137 PolarHBondContact O-N 3.32Å; V137-N140 PolarHBondContact O-N 3.24Å; V137-A141 WeakPolarHBondContact O-CB 3.49Å; V137-A141 PolarHBondContact O-N 3.42Å
138	R	92.4	Very high	89.3	Confident	140 Å²	140	77.6 Å²	77.6	53%	0.528	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-42.2	176.3	-71.5	174.9	-177.7	174.2	1.3	112.6	T134 E135 R136 A141 R142	T134-R138 WeakPolarHBondContact O-CG 3.18Å; T134-R138 PolarHBondContact O-N 3.14Å; E135-R138 PolarHBondContact O-N 3.44Å; R136-R138 VanDerWaalsContact C-N 3.31Å; R136-R138 PolarHBondContact O-N 3.27Å; R138-A141 PolarHBondContact O-N 3Å; R138-R142 WeakPolarHBondContact O-CG 3.14Å; R138-R142 PolarHBondContact O-N 3.42Å; R138-R142 VanDerWaalsContact O-N 3.09Å
139	A	95.6	Very high	90.5	Very high	36 Å²	36	76.8 Å²	76.8	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-45.4	176.5	0	0	0	0	0	111.5	E135 R136 A141 R142 A143	E135-A139 WeakPolarHBondContact O-CB 3.26Å; E135-A139 PolarHBondContact O-N 2.81Å; R136-A139 PolarHBondContact O-N 3.41Å; A139-A141 PolarHBondContact O-N 3.14Å; A139-R142 PolarHBondContact O-N 3.39Å; A139-A143 PolarHBondContact O-N 2.94Å
140	N	95.9	Very high	91.7	Very high	3 Å²	3	75.7 Å²	75.7	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-60.8	-43.8	174.9	-72.1	-3.9	0	0	0	111.4	P82 A84 D85 R136 V137 R142 A143 L144	P82-N140 HydrophobicContact CB-CB 3.7Å; P82-N140 WeakPolarHBondContact O-CB 3.43Å; P82-N140 PolarHBondContact O-ND2 3.02Å; A84-N140 WeakPolarHBondContact O-CB 3.48Å; D85-N140 PolarHBondContact N-OD1 3.11Å; R136-N140 PolarHBondContact NE-OD1 3.49Å; R136-N140 VanDerWaalsContact NE-OD1 3.17Å; R136-N140 WeakPolarHBondContact O-CB 3.4Å; R136-N140 PolarHBondContact O-N 2.94Å; R136-N140 PolarHBondContact O-OD1 2.93Å; V137-N140 PolarHBondContact O-N 3.24Å; N140-R142 PolarHBondContact O-N 3.33Å; N140-A143 PolarHBondContact O-N 2.8Å; N140-L144 WeakPolarHBondContact O-CB 3.42Å; N140-L144 WeakPolarHBondContact O-CD1 3.46Å; N140-L144 PolarHBondContact O-N 3.41Å
141	A	96.1	Very high	92.8	Very high	4 Å²	4	67.4 Å²	67.4	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-59.3	-44.5	178.2	0	0	0	0	0	112.2	P82 V112 V137 R138 A139 L144 R145	P82-A141 HydrophobicContact CB-CB 4.13Å; P82-A141 HydrophobicContact CG-CB 4.04Å; V112-A141 HydrophobicContact CG1-CB 3.79Å; V137-A141 WeakPolarHBondContact O-CB 3.49Å; V137-A141 PolarHBondContact O-N 3.42Å; R138-A141 PolarHBondContact O-N 3Å; A139-A141 PolarHBondContact O-N 3.14Å; A141-L144 PolarHBondContact O-N 2.97Å; A141-R145 WeakPolarHBondContact O-CB 3.31Å; A141-R145 PolarHBondContact O-N 3.27Å
142	R	96.8	Very high	94	Very high	155 Å²	155	63.3 Å²	63.3	59%	0.585	32%	0.317	S	S	*	.	H	α-helix	trans	-61.4	-45.7	174.3	-70.9	-171.6	-61.6	-92.6	4.6	111.8	R138 A139 N140 R145 L146	R138-R142 WeakPolarHBondContact O-CG 3.14Å; R138-R142 PolarHBondContact O-N 3.42Å; R138-R142 VanDerWaalsContact O-N 3.09Å; A139-R142 PolarHBondContact O-N 3.39Å; N140-R142 PolarHBondContact O-N 3.33Å; R142-R145 PolarHBondContact O-N 2.91Å; R142-L146 WeakPolarHBondContact O-CG 3.36Å; R142-L146 PolarHBondContact O-N 3.35Å; R142-L146 VanDerWaalsContact O-N 3.08Å
143	A	96.9	Very high	94.9	Very high	33 Å²	33	61.8 Å²	61.8	27%	0.273	31%	0.314	S	S	.	.	H	α-helix	trans	-64.9	-40.8	179.6	0	0	0	0	0	112.1	D85 A139 N140 L146 G147	D85-A143 HydrophobicContact CB-CB 3.98Å; D85-A143 WeakPolarHBondContact O-CB 3.48Å; A139-A143 PolarHBondContact O-N 2.94Å; N140-A143 PolarHBondContact O-N 2.8Å; A143-L146 PolarHBondContact O-N 2.92Å; A143-G147 PolarHBondContact O-N 2.78Å
144	L	97.1	Very high	95.4	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-45.1	173.6	-100.7	64.6	0	0	0	111.9	P82 A84 L87 N140 A141 L146 G147 L148	P82-L144 HydrophobicContact CB-CD2 3.97Å; A84-L144 WeakPolarHBondContact O-CD1 3.42Å; L87-L144 HydrophobicContact CD2-CD2 3.94Å; L87-L144 HydrophobicContact CD2-CG 4.11Å; L87-L144 HydrophobicContact CG-CG 4.24Å; N140-L144 WeakPolarHBondContact O-CB 3.42Å; N140-L144 WeakPolarHBondContact O-CD1 3.46Å; N140-L144 PolarHBondContact O-N 3.41Å; A141-L144 PolarHBondContact O-N 2.97Å; L144-L146 PolarHBondContact O-N 2.86Å; L144-G147 PolarHBondContact O-N 2.83Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 VanDerWaalsContact O-CG 3.25Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 3.44Å
145	R	97.8	Very high	96	Very high	97 Å²	97	53.9 Å²	53.9	37%	0.366	28%	0.275	S	S	.	.	H	α-helix	trans	-56	-51	176.9	177.8	176.7	-175.7	96	18	111.2	A141 R142 G147 L148 E149 V170	A141-R145 WeakPolarHBondContact O-CB 3.31Å; A141-R145 PolarHBondContact O-N 3.27Å; R142-R145 PolarHBondContact O-N 2.91Å; R145-G147 VanDerWaalsContact C-N 3.33Å; R145-G147 PolarHBondContact O-N 2.94Å; R145-L148 PolarHBondContact O-N 3.25Å; R145-E149 IonicContact CZ-OE1 3.93Å; R145-E149 VanDerWaalsContact CZ-OE1 3.25Å; R145-E149 IonicContact NE-OE1 3.39Å; R145-E149 PolarHBondContact NE-OE1 3.08Å; R145-E149 IonicContact NH2-OE1 3.54Å; R145-E149 PolarHBondContact NH2-OE1 3.33Å; R145-E149 WeakPolarHBondContact O-CG 3.45Å; R145-E149 PolarHBondContact O-N 3.4Å; R145-V170 HydrophobicContact CB-CG1 4.32Å; R145-V170 HydrophobicContact CG-CB 4.41Å; R145-V170 HydrophobicContact CG-CG1 3.87Å; R145-V170 PolarHBondContact NH1-O 2.87Å; R145-V170 PolarHBondContact NH2-O 2.96Å
146	L	97.4	Very high	96.3	Very high	116 Å²	116	52.3 Å²	52.3	61%	0.607	27%	0.268	S	S	*	.	H	α-helix	trans	-61.1	-42.1	178.2	-68.3	172.7	0	0	0	111.9	R142 A143 L144 E149 A150	R142-L146 WeakPolarHBondContact O-CG 3.36Å; R142-L146 PolarHBondContact O-N 3.35Å; R142-L146 VanDerWaalsContact O-N 3.08Å; A143-L146 PolarHBondContact O-N 2.92Å; L144-L146 PolarHBondContact O-N 2.86Å; L146-E149 PolarHBondContact O-N 2.96Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.48Å
147	G	97.5	Very high	96.5	Very high	41 Å²	41	52.8 Å²	52.8	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-63.4	-40.2	176.9	0	0	0	0	0	113.2	A143 L144 R145 L151	A143-G147 PolarHBondContact O-N 2.78Å; L144-G147 PolarHBondContact O-N 2.83Å; R145-G147 VanDerWaalsContact C-N 3.33Å; R145-G147 PolarHBondContact O-N 2.94Å; G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.45Å; G147-L151 PolarHBondContact O-N 3.44Å
148	L	98.3	Very high	96.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-45.1	175.5	-73.7	166.4	0	0	0	111.6	L87 L95 A110 V112 L144 R145 L151 A152 V170	L87-L148 HydrophobicContact CD1-CD2 3.69Å; L87-L148 HydrophobicContact CD1-CG 4.21Å; L95-L148 HydrophobicContact CD1-CD2 4.03Å; L95-L148 HydrophobicContact CD2-CD2 3.39Å; L95-L148 HydrophobicContact CG-CD2 4.32Å; A110-L148 HydrophobicContact CB-CD1 4.01Å; A110-L148 HydrophobicContact CB-CD2 4.18Å; V112-L148 HydrophobicContact CG2-CD1 3.93Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 VanDerWaalsContact O-CG 3.25Å; L144-L148 WeakPolarHBondContact O-CG 3.32Å; L144-L148 PolarHBondContact O-N 3.44Å; R145-L148 PolarHBondContact O-N 3.25Å; L148-L151 PolarHBondContact O-N 2.83Å; L148-A152 WeakPolarHBondContact O-CB 3.38Å; L148-A152 PolarHBondContact O-N 2.77Å; L148-V170 HydrophobicContact CB-CG2 3.98Å; L148-V170 HydrophobicContact CD1-CG1 4.03Å
149	E	97.9	Very high	96.9	Very high	73 Å²	73	49.6 Å²	49.6	34%	0.341	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-44.9	177.6	-72.1	170.3	172.2	0	0	111.2	R145 L146 A152 A153 V170	R145-E149 IonicContact CZ-OE1 3.93Å; R145-E149 VanDerWaalsContact CZ-OE1 3.25Å; R145-E149 IonicContact NE-OE1 3.39Å; R145-E149 PolarHBondContact NE-OE1 3.08Å; R145-E149 IonicContact NH2-OE1 3.54Å; R145-E149 PolarHBondContact NH2-OE1 3.33Å; R145-E149 WeakPolarHBondContact O-CG 3.45Å; R145-E149 PolarHBondContact O-N 3.4Å; L146-E149 PolarHBondContact O-N 2.96Å; E149-A152 PolarHBondContact O-N 3.44Å; E149-A153 WeakPolarHBondContact O-CB 3.46Å; E149-A153 PolarHBondContact O-N 3.23Å; E149-V170 HydrophobicContact CG-CG2 3.88Å
150	A	97.1	Very high	96.6	Very high	54 Å²	54	52.4 Å²	52.4	45%	0.446	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-43.5	176.2	0	0	0	0	0	112.5	L146 A153 N154	L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.48Å; A150-A153 PolarHBondContact O-N 2.94Å; A150-N154 PolarHBondContact O-N 3.36Å
151	L	97.8	Very high	96	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-42.2	177	-172.3	72.5	0	0	0	111.7	L92 L95 F99 G147 L148 N154 H155 L292 L356 V357	L92-L151 HydrophobicContact CD1-CD2 4.03Å; L95-L151 HydrophobicContact CB-CD2 4.39Å; L95-L151 HydrophobicContact CD1-CD2 3.67Å; L95-L151 HydrophobicContact CG-CD2 4.48Å; F99-L151 HydrophobicContact CE2-CD2 3.89Å; F99-L151 HydrophobicContact CE2-CG 3.96Å; F99-L151 HydrophobicContact CZ-CD2 4.07Å; F99-L151 HydrophobicContact CZ-CG 4.02Å; G147-L151 VanDerWaalsContact O-CB 3.31Å; G147-L151 WeakPolarHBondContact O-CB 3.45Å; G147-L151 PolarHBondContact O-N 3.44Å; L148-L151 PolarHBondContact O-N 2.83Å; L151-N154 PolarHBondContact O-N 3.17Å; L151-H155 PolarHBondContact O-N 3.09Å; L151-L292 HydrophobicContact CD2-CD1 4.49Å; L151-L356 HydrophobicContact CD1-CD1 4.41Å; L151-L356 HydrophobicContact CD1-CG 3.99Å; L151-L356 WeakPolarHBondContact CD1-O 3.43Å; L151-V357 HydrophobicContact CD1-CB 4.42Å; L151-V357 HydrophobicContact CD1-CG2 4.13Å
152	A	97.7	Very high	95.5	Very high	10 Å²	10	58.3 Å²	58.3	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-37.9	176.7	0	0	0	0	0	112.2	F99 L148 E149 H155 Q156 F168	F99-A152 HydrophobicContact CE1-CB 4.08Å; F99-A152 HydrophobicContact CZ-CB 4.33Å; L148-A152 WeakPolarHBondContact O-CB 3.38Å; L148-A152 PolarHBondContact O-N 2.77Å; E149-A152 PolarHBondContact O-N 3.44Å; A152-H155 WeakPolarHBondContact O-CB 3.44Å; A152-H155 PolarHBondContact O-N 2.89Å; A152-Q156 WeakPolarHBondContact O-CB 3.32Å; A152-Q156 PolarHBondContact O-N 3.47Å; A152-F168 HydrophobicContact CB-CD1 3.41Å; A152-F168 VanDerWaalsContact CB-CD1 3.41Å; A152-F168 HydrophobicContact CB-CD2 4.21Å; A152-F168 HydrophobicContact CB-CE1 3.45Å; A152-F168 VanDerWaalsContact CB-CE1 3.45Å; A152-F168 HydrophobicContact CB-CE2 4.27Å; A152-F168 HydrophobicContact CB-CG 3.82Å; A152-F168 HydrophobicContact CB-CZ 3.91Å
153	A	97.3	Very high	95	Very high	37 Å²	37	55.8 Å²	55.8	31%	0.306	32%	0.321	S	S	.	.	H	α-helix	trans	-61.9	-46.6	174	0	0	0	0	0	111.6	E149 A150 H155 Q156 Q157	E149-A153 WeakPolarHBondContact O-CB 3.46Å; E149-A153 PolarHBondContact O-N 3.23Å; A150-A153 PolarHBondContact O-N 2.94Å; A153-H155 VanDerWaalsContact C-N 3.33Å; A153-H155 PolarHBondContact O-N 3.05Å; A153-Q156 PolarHBondContact O-N 3.43Å; A153-Q157 WeakPolarHBondContact O-CB 3.23Å; A153-Q157 WeakPolarHBondContact O-CG 3.45Å; A153-Q157 PolarHBondContact O-N 3.04Å
154	N	97.9	Very high	94.6	Very high	31 Å²	31	59.4 Å²	59.4	17%	0.166	34%	0.344	C	S	.	.	H	α-helix	trans	-59.1	-44.3	174.3	-73.6	-21	0	0	0	111.7	A150 L151 Q156 L158 L356 V357 G359	A150-N154 PolarHBondContact O-N 3.36Å; L151-N154 PolarHBondContact O-N 3.17Å; N154-Q156 PolarHBondContact O-N 3.27Å; N154-L158 HydrophobicContact CB-CD1 4.43Å; N154-L158 VanDerWaalsContact O-CB 3.27Å; N154-L158 WeakPolarHBondContact O-CB 3.36Å; N154-L158 WeakPolarHBondContact O-CG 3.46Å; N154-L158 PolarHBondContact O-N 3.21Å; N154-L356 WeakPolarHBondContact CB-O 3.45Å; N154-L356 PolarHBondContact ND2-O 2.98Å; N154-L356 VanDerWaalsContact ND2-O 3.1Å; N154-V357 PolarHBondContact ND2-O 2.99Å; N154-G359 PolarHBondContact ND2-N 3.34Å
155	H	97.4	Very high	94.4	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-56.7	-50.2	175.8	173.2	-121.9	0	0	0	111.5	F99 Q102 R103 L151 A152 A153 F159 W165 F323 L356	F99-H155 HydrophobicContact CD1-CB 4.4Å; F99-H155 AromaticContact CD1-CE1 3.9Å; F99-H155 AromaticContact CD1-CG 3.91Å; F99-H155 AromaticContact CD1-ND1 3.38Å; F99-H155 WeakPolarHBondContact CD1-ND1 3.34Å; F99-H155 HydrophobicContact CD2-CB 4.38Å; F99-H155 HydrophobicContact CE1-CB 4.27Å; F99-H155 AromaticContact CE1-ND1 3.94Å; F99-H155 HydrophobicContact CE2-CB 4.25Å; F99-H155 HydrophobicContact CG-CB 4.46Å; F99-H155 AromaticContact CG-CE1 3.87Å; F99-H155 AromaticContact CG-CG 3.84Å; F99-H155 AromaticContact CG-ND1 3.63Å; F99-H155 HydrophobicContact CZ-CB 4.19Å; Q102-H155 PolarHBondContact OE1-CE1 2.92Å; Q102-H155 VanDerWaalsContact OE1-CE1 3.32Å; Q102-H155 PolarHBondContact OE1-ND1 3.09Å; Q102-H155 VanDerWaalsContact OE1-ND1 3.14Å; R103-H155 WeakPolarHBondContact CD-NE2 3.31Å; R103-H155 WeakPolarHBondContact CG-NE2 3.46Å; R103-H155 PolarHBondContact NH1-NE2 2.76Å; L151-H155 PolarHBondContact O-N 3.09Å; A152-H155 WeakPolarHBondContact O-CB 3.44Å; A152-H155 PolarHBondContact O-N 2.89Å; A153-H155 VanDerWaalsContact C-N 3.33Å; A153-H155 PolarHBondContact O-N 3.05Å; H155-F159 WeakPolarHBondContact O-CB 3.31Å; H155-F159 PolarHBondContact O-N 3.37Å; H155-W165 AromaticContact CE1-CE3 3.71Å; H155-W165 AromaticContact CE1-CH2 3.79Å; H155-W165 AromaticContact CE1-CZ3 3.18Å; H155-W165 WeakPolarHBondContact CE1-CZ3 3.36Å; H155-W165 AromaticContact ND1-CZ3 3.52Å; H155-W165 AromaticContact NE2-CH2 3.64Å; H155-W165 AromaticContact NE2-CZ3 3.53Å; H155-W165 WeakPolarHBondContact O-CH2 3.45Å; H155-F323 AromaticContact CD2-CE2 3.6Å; H155-F323 AromaticContact CD2-CZ 3.43Å; H155-F323 VanDerWaalsContact CD2-CZ 3.43Å; H155-F323 WeakPolarHBondContact CD2-CZ 3.39Å; H155-F323 AromaticContact NE2-CE1 3.86Å; H155-F323 AromaticContact NE2-CZ 3.56Å; H155-L356 HydrophobicContact CB-CD1 3.8Å
156	Q	95.2	Very high	94.3	Very high	124 Å²	124	57 Å²	57	58%	0.579	34%	0.339	S	S	*	.	H	α-helix	trans	-64.4	-42.3	-178.4	-170.1	171.9	7	0	0	113.2	A152 A153 N154 W165	A152-Q156 WeakPolarHBondContact O-CB 3.32Å; A152-Q156 PolarHBondContact O-N 3.47Å; A153-Q156 PolarHBondContact O-N 3.43Å; N154-Q156 PolarHBondContact O-N 3.27Å; Q156-W165 HydrophobicContact CB-CZ3 4.39Å
157	Q	95.1	Very high	94.3	Very high	139 Å²	139	54.1 Å²	54.1	65%	0.65	33%	0.329	S	S	*	.	H	α-helix	trans	-79.6	-39.3	-175.3	-67.1	175.7	7	0	0	112.9	A153	A153-Q157 WeakPolarHBondContact O-CB 3.23Å; A153-Q157 WeakPolarHBondContact O-CG 3.45Å; A153-Q157 PolarHBondContact O-N 3.04Å
158	L	96.3	Very high	94.3	Very high	57 Å²	57	54 Å²	54	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-102.4	-10.7	-166.6	-56.8	175.7	0	0	0	114.3	N154 K355 R360	N154-L158 HydrophobicContact CB-CD1 4.43Å; N154-L158 VanDerWaalsContact O-CB 3.27Å; N154-L158 WeakPolarHBondContact O-CB 3.36Å; N154-L158 WeakPolarHBondContact O-CG 3.46Å; N154-L158 PolarHBondContact O-N 3.21Å; L158-K355 HydrophobicContact CB-CG 4.39Å; L158-K355 HydrophobicContact CD1-CG 3.92Å; L158-R360 HydrophobicContact CD2-CB 4.41Å
159	F	95.1	Very high	94.3	Very high	17 Å²	17	56.4 Å²	56.4	8%	0.075	33%	0.331	C	S	.	.	S	Bend	trans	-124.3	17.3	-177.3	-61.3	-98.2	0	0	0	113.3	R103 H155 D161 W165 F323 E352 K355 L356	R103-F159 VanDerWaalsContact CZ-O 3.27Å; R103-F159 VanDerWaalsContact NH1-CB 3.31Å; R103-F159 PolarHBondContact NH1-O 3.49Å; R103-F159 PolarHBondContact NH2-O 3.44Å; H155-F159 WeakPolarHBondContact O-CB 3.31Å; H155-F159 PolarHBondContact O-N 3.37Å; F159-D161 PolarHBondContact O-N 3.09Å; F159-W165 HydrophobicContact CB-CH2 4.38Å; F159-W165 WeakPolarHBondContact O-CH2 3.18Å; F159-W165 VanDerWaalsContact O-CZ2 3.26Å; F159-W165 WeakPolarHBondContact O-CZ2 3.38Å; F159-F323 HydrophobicContact CB-CD2 4.34Å; F159-F323 HydrophobicContact CD1-CB 4.47Å; F159-F323 AromaticContact CD1-CD2 3.46Å; F159-F323 HydrophobicContact CD1-CD2 3.46Å; F159-F323 VanDerWaalsContact CD1-CD2 3.46Å; F159-F323 HydrophobicContact CD1-CE2 4.13Å; F159-F323 HydrophobicContact CD1-CG 4.35Å; F159-F323 AromaticContact CE1-CD2 3.79Å; F159-F323 HydrophobicContact CE1-CD2 3.79Å; F159-F323 HydrophobicContact CE1-CE2 4.36Å; F159-F323 AromaticContact CG-CD2 3.94Å; F159-F323 HydrophobicContact CG-CD2 3.94Å; F159-F323 HydrophobicContact CG-CE2 4.25Å; F159-E352 VanDerWaalsContact CE1-OE2 3.27Å; F159-E352 WeakPolarHBondContact CE1-OE2 3.45Å; F159-K355 VanDerWaalsContact CE1-CE 3.44Å; F159-K355 HydrophobicContact CE2-CG 4.32Å; F159-K355 HydrophobicContact CZ-CB 4.38Å; F159-K355 HydrophobicContact CZ-CD 4.31Å; F159-K355 HydrophobicContact CZ-CG 4.26Å; F159-L356 HydrophobicContact CD2-CD1 4.29Å; F159-L356 HydrophobicContact CE2-CB 3.86Å; F159-L356 HydrophobicContact CE2-CD1 3.9Å; F159-L356 HydrophobicContact CE2-CG 4.49Å; F159-L356 HydrophobicContact CZ-CB 3.82Å; F159-L356 HydrophobicContact CZ-CD1 4.47Å
160	T	89.4	Confident	94.3	Very high	95 Å²	95	53.3 Å²	53.3	58%	0.583	32%	0.317	S	S	*	.			trans	-53.7	139.4	174.3	-175.3	0	0	0	0	111.4	G162	T160-G162 PolarHBondContact OG1-N 2.9Å
161	D	84.6	Confident	94.4	Very high	56 Å²	56	52 Å²	52	30%	0.299	30%	0.302	S	S	.	.			trans	-121.7	17.9	177.9	56.3	20.9	0	0	0	112.3	R103 F159 R163 W165	R103-D161 IonicContact CZ-OD2 3.51Å; R103-D161 IonicContact NE-OD2 3.3Å; R103-D161 IonicContact NH2-OD2 2.71Å; R103-D161 PolarHBondContact NH2-OD2 2.83Å; F159-D161 PolarHBondContact O-N 3.09Å; D161-R163 VanDerWaalsContact CG-NE 3.31Å; D161-R163 PolarHBondContact O-N 3.05Å; D161-R163 VanDerWaalsContact OD1-CB 3.3Å; D161-R163 WeakPolarHBondContact OD1-CB 3.27Å; D161-R163 PolarHBondContact OD1-N 2.81Å; D161-R163 IonicContact OD1-NE 2.9Å; D161-R163 PolarHBondContact OD1-NE 2.93Å; D161-R163 IonicContact OD2-CZ 2.74Å; D161-R163 VanDerWaalsContact OD2-CZ 3.3Å; D161-R163 IonicContact OD2-NE 3.37Å; D161-R163 PolarHBondContact OD2-NE 3.36Å; D161-R163 VanDerWaalsContact OD2-NE 3.14Å; D161-R163 IonicContact OD2-NH2 3.14Å; D161-R163 PolarHBondContact OD2-NH2 3.02Å; D161-W165 PolarHBondContact OD1-NE1 3.41Å
162	G	85.6	Confident	94.4	Very high	76 Å²	76	53.5 Å²	53.5	78%	0.784	31%	0.311	S	S	*	.	S	Bend	trans	74.1	1.5	-179.1	0	0	0	0	0	114.6	T160	T160-G162 PolarHBondContact OG1-N 2.9Å
163	R	86.8	Confident	94.3	Very high	101 Å²	101	53.1 Å²	53.1	38%	0.381	31%	0.307	S	S	.	.	S	Bend	trans	-92.8	150.9	174.5	-58.6	-179	-74.2	-172.6	-4.9	110.6	D161 W165	D161-R163 VanDerWaalsContact CG-NE 3.31Å; D161-R163 PolarHBondContact O-N 3.05Å; D161-R163 VanDerWaalsContact OD1-CB 3.3Å; D161-R163 WeakPolarHBondContact OD1-CB 3.27Å; D161-R163 PolarHBondContact OD1-N 2.81Å; D161-R163 IonicContact OD1-NE 2.9Å; D161-R163 PolarHBondContact OD1-NE 2.93Å; D161-R163 IonicContact OD2-CZ 2.74Å; D161-R163 VanDerWaalsContact OD2-CZ 3.3Å; D161-R163 IonicContact OD2-NE 3.37Å; D161-R163 PolarHBondContact OD2-NE 3.36Å; D161-R163 VanDerWaalsContact OD2-NE 3.14Å; D161-R163 IonicContact OD2-NH2 3.14Å; D161-R163 PolarHBondContact OD2-NH2 3.02Å; R163-W165 PolarHBondContact O-N 3.25Å; R163-W165 PolarHBondContact O-NE1 2.79Å
164	S	87.9	Confident	94.2	Very high	110 Å²	110	52.4 Å²	52.4	77%	0.769	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-68.9	130.5	166	-166.7	0	0	0	0	109.6
165	W	93.5	Very high	94.1	Very high	37 Å²	37	53.6 Å²	53.6	14%	0.14	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-102.8	162.7	175.5	-60.5	-4.1	0	0	0	109.9	Q102 R103 H155 Q156 F159 D161 R163	Q102-W165 HydrophobicContact CG-CB 4.37Å; Q102-W165 WeakPolarHBondContact O-CA 3.46Å; Q102-W165 WeakPolarHBondContact O-CB 3.41Å; R103-W165 HydrophobicContact CG-CD2 4.03Å; R103-W165 HydrophobicContact CG-CE3 4.29Å; R103-W165 HydrophobicContact CG-CH2 4.17Å; R103-W165 HydrophobicContact CG-CZ2 3.89Å; R103-W165 HydrophobicContact CG-CZ3 4.33Å; R103-W165 VanDerWaalsContact NH1-CH2 3.3Å; R103-W165 VanDerWaalsContact NH1-CZ2 3.29Å; H155-W165 AromaticContact CE1-CE3 3.71Å; H155-W165 AromaticContact CE1-CH2 3.79Å; H155-W165 AromaticContact CE1-CZ3 3.18Å; H155-W165 WeakPolarHBondContact CE1-CZ3 3.36Å; H155-W165 AromaticContact ND1-CZ3 3.52Å; H155-W165 AromaticContact NE2-CH2 3.64Å; H155-W165 AromaticContact NE2-CZ3 3.53Å; H155-W165 WeakPolarHBondContact O-CH2 3.45Å; Q156-W165 HydrophobicContact CB-CZ3 4.39Å; F159-W165 HydrophobicContact CB-CH2 4.38Å; F159-W165 WeakPolarHBondContact O-CH2 3.18Å; F159-W165 VanDerWaalsContact O-CZ2 3.26Å; F159-W165 WeakPolarHBondContact O-CZ2 3.38Å; D161-W165 PolarHBondContact OD1-NE1 3.41Å; R163-W165 PolarHBondContact O-N 3.25Å; R163-W165 PolarHBondContact O-NE1 2.79Å
166	G	94.4	Very high	94	Very high	14 Å²	14	54.3 Å²	54.3	14%	0.144	32%	0.317	C	S	.	.			trans	-79.7	178.3	170.6	0	0	0	0	0	112.6	Q102 H106	Q102-G166 VanDerWaalsContact CG-O 3.23Å; Q102-G166 WeakPolarHBondContact CG-O 3.25Å; Q102-G166 PolarHBondContact NE2-O 3.45Å; Q102-G166 VanDerWaalsContact NE2-O 3.11Å; Q102-G166 PolarHBondContact O-N 3.21Å; H106-G166 VanDerWaalsContact O-CA 3.3Å; H106-G166 WeakPolarHBondContact O-CA 3.43Å
167	S	96.9	Very high	93.8	Very high	55 Å²	55	50 Å²	50	39%	0.385	30%	0.296	S	S	.	.			trans	-74.3	147.3	-177.2	66.8	0	0	0	0	112.5	N107 V108	N107-S167 WeakPolarHBondContact CB-OG 3.19Å; N107-S167 PolarHBondContact OD1-N 3.17Å; N107-S167 PolarHBondContact OD1-OG 3.14Å; N107-S167 VanDerWaalsContact OD1-OG 3.12Å; V108-S167 PolarHBondContact N-O 3.04Å
168	F	98.3	Very high	93.5	Very high	38 Å²	38	50.1 Å²	50.1	17%	0.167	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.5	164.4	-178.6	-84.4	0	0	0	109.1	F99 V108 A110 A152 V170	F99-F168 HydrophobicContact CD1-CD2 4.19Å; F99-F168 HydrophobicContact CD1-CE2 4.25Å; F99-F168 AromaticContact CE1-CD2 3.71Å; F99-F168 HydrophobicContact CE1-CD2 3.71Å; F99-F168 AromaticContact CE1-CE2 3.52Å; F99-F168 HydrophobicContact CE1-CE2 3.52Å; F99-F168 HydrophobicContact CE1-CZ 4.28Å; F99-F168 HydrophobicContact CZ-CE2 4.29Å; V108-F168 HydrophobicContact CG2-CB 4.14Å; V108-F168 HydrophobicContact CG2-CD2 3.55Å; V108-F168 HydrophobicContact CG2-CE2 4.4Å; V108-F168 HydrophobicContact CG2-CG 4.24Å; V108-F168 WeakPolarHBondContact O-CA 3.43Å; A110-F168 HydrophobicContact CB-CE1 4.5Å; A110-F168 HydrophobicContact CB-CE2 4.34Å; A110-F168 HydrophobicContact CB-CZ 3.81Å; A152-F168 HydrophobicContact CB-CD1 3.41Å; A152-F168 VanDerWaalsContact CB-CD1 3.41Å; A152-F168 HydrophobicContact CB-CD2 4.21Å; A152-F168 HydrophobicContact CB-CE1 3.45Å; A152-F168 VanDerWaalsContact CB-CE1 3.45Å; A152-F168 HydrophobicContact CB-CE2 4.27Å; A152-F168 HydrophobicContact CB-CG 3.82Å; A152-F168 HydrophobicContact CB-CZ 3.91Å; F168-V170 HydrophobicContact CD1-CG2 4.28Å; F168-V170 HydrophobicContact CE1-CG2 3.5Å; F168-V170 HydrophobicContact CZ-CG2 4.28Å
169	T	98.3	Very high	92.9	Very high	51 Å²	51	55.8 Å²	55.8	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.4	-177.1	-55.8	0	0	0	0	110.4	V108 I109 A110 L171	V108-T169 PolarHBondContact O-N 2.96Å; I109-T169 CarbonylContact C-O 3.55Å; I109-T169 VanDerWaalsContact CA-O 3.29Å; I109-T169 WeakPolarHBondContact CA-O 3.49Å; A110-T169 PolarHBondContact N-O 3.4Å; T169-L171 HydrophobicContact CG2-CD2 3.85Å; T169-L171 HydrophobicContact CG2-CG 4.02Å
170	V	98.5	Very high	92.6	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.8	170.2	-170.5	0	0	0	0	109.6	A110 V112 R145 L148 E149 F168	A110-V170 HydrophobicContact CB-CG2 4.43Å; A110-V170 WeakPolarHBondContact O-CA 3.39Å; V112-V170 HydrophobicContact CG2-CG1 3.85Å; R145-V170 HydrophobicContact CB-CG1 4.32Å; R145-V170 HydrophobicContact CG-CB 4.41Å; R145-V170 HydrophobicContact CG-CG1 3.87Å; R145-V170 PolarHBondContact NH1-O 2.87Å; R145-V170 PolarHBondContact NH2-O 2.96Å; L148-V170 HydrophobicContact CB-CG2 3.98Å; L148-V170 HydrophobicContact CD1-CG1 4.03Å; E149-V170 HydrophobicContact CG-CG2 3.88Å; F168-V170 HydrophobicContact CD1-CG2 4.28Å; F168-V170 HydrophobicContact CE1-CG2 3.5Å; F168-V170 HydrophobicContact CZ-CG2 4.28Å
171	L	98.4	Very high	92.7	Very high	26 Å²	26	60.7 Å²	60.7	14%	0.136	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	165.4	176.6	-62.8	-178.6	0	0	0	110.4	I109 A110 L111 V112 T169 L232 Y236	I109-L171 HydrophobicContact CD1-CD1 4.31Å; I109-L171 HydrophobicContact CG2-CB 4.31Å; I109-L171 HydrophobicContact CG2-CD1 3.82Å; I109-L171 HydrophobicContact CG2-CG 4.02Å; A110-L171 PolarHBondContact O-N 3.14Å; L111-L171 HydrophobicContact CD1-CB 3.9Å; V112-L171 WeakPolarHBondContact CB-O 3.39Å; V112-L171 PolarHBondContact N-O 2.85Å; T169-L171 HydrophobicContact CG2-CD2 3.85Å; T169-L171 HydrophobicContact CG2-CG 4.02Å; L171-L232 HydrophobicContact CD1-CD2 3.68Å; L171-Y236 HydrophobicContact CD1-CD2 4.32Å; L171-Y236 HydrophobicContact CD1-CE1 4.21Å; L171-Y236 HydrophobicContact CD1-CE2 3.66Å
172	D	97.8	Very high	92.9	Very high	43 Å²	43	64 Å²	64	23%	0.23	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123.6	175.3	-174.9	-33.1	0	0	0	109.3	V112 S174 A175	V112-D172 HydrophobicContact CB-CB 4.4Å; V112-D172 WeakPolarHBondContact O-CA 3.04Å; D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 WeakPolarHBondContact OD1-CB 3.43Å; D172-S174 PolarHBondContact OD1-N 3.25Å; D172-S174 PolarHBondContact OD1-OG 2.89Å; D172-S174 PolarHBondContact OD2-OG 3.43Å; D172-A175 VanDerWaalsContact O-CB 3.28Å; D172-A175 WeakPolarHBondContact O-CB 3.41Å; D172-A175 PolarHBondContact O-N 3.17Å; D172-A175 VanDerWaalsContact O-N 3.15Å
173	N	96.9	Very high	93.3	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.5	-176.1	65.7	6	0	0	0	113.9	L111 V112 G113 G114 A115 T116 A175 W176 Y177 D228	L111-N173 HydrophobicContact CD1-CB 4.09Å; L111-N173 HydrophobicContact CD2-CB 4.32Å; L111-N173 HydrophobicContact CG-CB 4.44Å; V112-N173 PolarHBondContact O-N 3.37Å; V112-N173 PolarHBondContact O-OD1 3.45Å; G113-N173 WeakPolarHBondContact CA-OD1 3.35Å; G114-N173 PolarHBondContact N-OD1 3.12Å; A115-N173 WeakPolarHBondContact CB-OD1 3.19Å; A115-N173 PolarHBondContact N-OD1 3.11Å; T116-N173 VanDerWaalsContact CG2-ND2 3.26Å; T116-N173 WeakPolarHBondContact CG2-ND2 3.5Å; T116-N173 PolarHBondContact OG1-ND2 3.43Å; N173-A175 PolarHBondContact O-N 3.15Å; N173-A175 VanDerWaalsContact O-N 3.11Å; N173-W176 VanDerWaalsContact CA-CE2 3.45Å; N173-W176 HydrophobicContact CB-CD2 4.25Å; N173-W176 VanDerWaalsContact CB-CE2 3.4Å; N173-W176 HydrophobicContact CB-CH2 3.74Å; N173-W176 HydrophobicContact CB-CZ2 3.13Å; N173-W176 HydrophobicContact CB-CZ3 4.45Å; N173-W176 PolarHBondContact O-N 3.26Å; N173-Y177 HydrophobicContact CB-CD2 4.24Å; N173-Y177 HydrophobicContact CB-CE2 4.14Å; N173-Y177 WeakPolarHBondContact O-CD2 3.46Å; N173-Y177 PolarHBondContact O-N 3.03Å; N173-D228 PolarHBondContact ND2-OD2 2.96Å
174	S	95	Very high	93.5	Very high	23 Å²	23	65.3 Å²	65.3	16%	0.161	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-24.1	171.9	69	0	0	0	0	112.6	D172 W176 Y177 Q178	D172-S174 PolarHBondContact O-N 3.39Å; D172-S174 WeakPolarHBondContact OD1-CB 3.43Å; D172-S174 PolarHBondContact OD1-N 3.25Å; D172-S174 PolarHBondContact OD1-OG 2.89Å; D172-S174 PolarHBondContact OD2-OG 3.43Å; S174-W176 VanDerWaalsContact C-N 3.31Å; S174-W176 PolarHBondContact O-N 3.01Å; S174-Y177 PolarHBondContact O-N 3.28Å; S174-Q178 VanDerWaalsContact O-CB 3.29Å; S174-Q178 WeakPolarHBondContact O-CB 3.5Å; S174-Q178 WeakPolarHBondContact O-CG 3.38Å; S174-Q178 PolarHBondContact O-N 3.5Å
175	A	94.9	Very high	93.7	Very high	56 Å²	56	60.7 Å²	60.7	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-33.9	179.4	0	0	0	0	0	113.8	D172 N173	D172-A175 VanDerWaalsContact O-CB 3.28Å; D172-A175 WeakPolarHBondContact O-CB 3.41Å; D172-A175 PolarHBondContact O-N 3.17Å; D172-A175 VanDerWaalsContact O-N 3.15Å; N173-A175 PolarHBondContact O-N 3.15Å; N173-A175 VanDerWaalsContact O-N 3.11Å
176	W	94.5	Very high	93.6	Very high	14 Å²	14	62 Å²	62	5%	0.053	33%	0.328	C	S	.	.	H	α-helix	trans	-93.1	-36.4	175.3	49.7	90.3	0	0	0	112.5	L111 N173 S174 Q178 K179 Q180 Y227 D228 Y231 L232	L111-W176 HydrophobicContact CD1-CH2 3.43Å; L111-W176 VanDerWaalsContact CD1-CH2 3.43Å; L111-W176 HydrophobicContact CD1-CZ2 4.08Å; L111-W176 HydrophobicContact CD1-CZ3 4.29Å; L111-W176 HydrophobicContact CD2-CH2 4.16Å; L111-W176 HydrophobicContact CD2-CZ2 4.12Å; L111-W176 HydrophobicContact CG-CH2 4.44Å; N173-W176 VanDerWaalsContact CA-CE2 3.45Å; N173-W176 HydrophobicContact CB-CD2 4.25Å; N173-W176 VanDerWaalsContact CB-CE2 3.4Å; N173-W176 HydrophobicContact CB-CH2 3.74Å; N173-W176 HydrophobicContact CB-CZ2 3.13Å; N173-W176 HydrophobicContact CB-CZ3 4.45Å; N173-W176 PolarHBondContact O-N 3.26Å; S174-W176 VanDerWaalsContact C-N 3.31Å; S174-W176 PolarHBondContact O-N 3.01Å; W176-Q178 PolarHBondContact O-N 3.29Å; W176-K179 PolarHBondContact O-N 3.08Å; W176-Q180 VanDerWaalsContact O-CG 3.31Å; W176-Q180 WeakPolarHBondContact O-CG 3.26Å; W176-Y227 AromaticContact CD1-CE1 3.94Å; W176-D228 VanDerWaalsContact CE2-OD1 3.22Å; W176-D228 HydrophobicContact CZ2-CB 4.14Å; W176-D228 WeakPolarHBondContact CZ2-OD1 3.33Å; W176-D228 PolarHBondContact NE1-OD1 3.04Å; W176-Y231 HydrophobicContact CB-CD2 4.1Å; W176-Y231 HydrophobicContact CB-CE2 3.76Å; W176-Y231 AromaticContact CD2-CD1 3.9Å; W176-Y231 HydrophobicContact CD2-CD1 3.9Å; W176-Y231 HydrophobicContact CD2-CD2 4.36Å; W176-Y231 AromaticContact CD2-CE1 3.99Å; W176-Y231 HydrophobicContact CD2-CE1 3.99Å; W176-Y231 HydrophobicContact CD2-CE2 4.44Å; W176-Y231 HydrophobicContact CD2-CG 4.1Å; W176-Y231 AromaticContact CE3-CD1 3.72Å; W176-Y231 HydrophobicContact CE3-CD1 3.72Å; W176-Y231 AromaticContact CE3-CE1 3.45Å; W176-Y231 HydrophobicContact CE3-CE1 3.45Å; W176-Y231 VanDerWaalsContact CE3-CE1 3.45Å; W176-Y231 HydrophobicContact CE3-CG 4.37Å; W176-Y231 AromaticContact CE3-CZ 3.9Å; W176-Y231 HydrophobicContact CG-CD2 4.15Å; W176-Y231 HydrophobicContact CG-CE2 4.21Å; W176-Y231 HydrophobicContact CG-CG 4.31Å; W176-Y231 HydrophobicContact CH2-CD1 4.06Å; W176-Y231 HydrophobicContact CH2-CE1 4.4Å; W176-Y231 HydrophobicContact CZ2-CD1 4.26Å; W176-Y231 AromaticContact CZ3-CD1 3.82Å; W176-Y231 HydrophobicContact CZ3-CD1 3.82Å; W176-Y231 AromaticContact CZ3-CE1 3.71Å; W176-Y231 HydrophobicContact CZ3-CE1 3.71Å; W176-L232 HydrophobicContact CH2-CD2 4.36Å
177	Y	92.6	Very high	93.4	Very high	35 Å²	35	65.3 Å²	65.3	14%	0.137	35%	0.353	C	S	.	.	H	α-helix	trans	-70.3	-28.9	-179.7	-71.2	-62.5	0	0	0	114.5	A115 N173 S174 K179 Q180 F185 L224 Y227 D228	A115-Y177 HydrophobicContact CB-CD2 3.4Å; A115-Y177 VanDerWaalsContact CB-CD2 3.4Å; A115-Y177 HydrophobicContact CB-CE2 4.21Å; A115-Y177 HydrophobicContact CB-CG 3.99Å; N173-Y177 HydrophobicContact CB-CD2 4.24Å; N173-Y177 HydrophobicContact CB-CE2 4.14Å; N173-Y177 WeakPolarHBondContact O-CD2 3.46Å; N173-Y177 PolarHBondContact O-N 3.03Å; S174-Y177 PolarHBondContact O-N 3.28Å; Y177-K179 PolarHBondContact O-N 3.33Å; Y177-K179 VanDerWaalsContact O-N 3.13Å; Y177-Q180 PolarHBondContact O-N 2.9Å; Y177-F185 HydrophobicContact CE1-CE2 4.07Å; Y177-F185 HydrophobicContact CE1-CZ 4.44Å; Y177-L224 HydrophobicContact CE1-CD2 4.21Å; Y177-L224 HydrophobicContact CE1-CG 3.9Å; Y177-L224 HydrophobicContact CE2-CB 4.46Å; Y177-L224 HydrophobicContact CE2-CD2 4.22Å; Y177-L224 HydrophobicContact CE2-CG 4.34Å; Y177-L224 WeakPolarHBondContact OH-CA 3.11Å; Y177-L224 WeakPolarHBondContact OH-CB 3.33Å; Y177-L224 PolarHBondContact OH-O 3.17Å; Y177-Y227 AromaticContact CE1-CD1 3.94Å; Y177-Y227 HydrophobicContact CE1-CD1 3.94Å; Y177-Y227 HydrophobicContact CE1-CE1 4.39Å; Y177-Y227 AromaticContact CZ-CD1 3.89Å; Y177-Y227 WeakPolarHBondContact OH-CD1 3.37Å; Y177-D228 WeakPolarHBondContact CE2-OD1 3.39Å; Y177-D228 PolarHBondContact OH-OD1 3.31Å
178	Q	88.1	Confident	93	Very high	140 Å²	140	65.8 Å²	65.8	65%	0.654	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20	176.6	-77.6	173.1	22.3	0	0	113.4	S174 W176	S174-Q178 VanDerWaalsContact O-CB 3.29Å; S174-Q178 WeakPolarHBondContact O-CB 3.5Å; S174-Q178 WeakPolarHBondContact O-CG 3.38Å; S174-Q178 PolarHBondContact O-N 3.5Å; W176-Q178 PolarHBondContact O-N 3.29Å
179	K	84.6	Confident	92.6	Very high	177 Å²	177	64.2 Å²	64.2	77%	0.77	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	2.6	-177.8	-58	-178.6	-176.8	-179.8	0	113	W176 Y177	W176-K179 PolarHBondContact O-N 3.08Å; Y177-K179 PolarHBondContact O-N 3.33Å; Y177-K179 VanDerWaalsContact O-N 3.13Å
180	Q	87.1	Confident	91.9	Very high	78 Å²	78	63.1 Å²	63.1	36%	0.364	35%	0.353	S	S	.	.			trans	-102.8	120.4	-174.7	-72.4	-68.6	-5.8	0	0	110.7	W176 Y177	W176-Q180 VanDerWaalsContact O-CG 3.31Å; W176-Q180 WeakPolarHBondContact O-CG 3.26Å; Y177-Q180 PolarHBondContact O-N 2.9Å
181	H	92.1	Very high	91.4	Very high	137 Å²	137	65.1 Å²	65.1	63%	0.634	38%	0.375	S	S	*	.			trans	-76	138.4	169.9	-66	-71	0	0	0	109.9	V183 D184 F185	H181-V183 VanDerWaalsContact C-N 3.35Å; H181-V183 PolarHBondContact O-N 2.92Å; H181-D184 HydrophobicContact CB-CB 4.35Å; H181-D184 WeakPolarHBondContact CB-OD2 3.09Å; H181-D184 IonicContact CD2-OD2 3.81Å; H181-D184 IonicContact CG-OD2 3.98Å; H181-D184 PolarHBondContact O-N 3.21Å; H181-F185 WeakPolarHBondContact O-CB 3.45Å; H181-F185 PolarHBondContact O-N 3.34Å
182	L	89.9	Confident	91	Very high	126 Å²	126	66.7 Å²	66.7	66%	0.66	38%	0.382	S	S	*	.	H	α-helix	trans	-56.9	-46.1	-173.7	176.8	62.9	0	0	0	112.7	F185 L186	L182-F185 PolarHBondContact O-N 3.18Å; L182-L186 HydrophobicContact CD1-CD1 3.92Å; L182-L186 HydrophobicContact CD1-CG 4.09Å; L182-L186 HydrophobicContact CG-CD1 4.04Å; L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 WeakPolarHBondContact O-CG 3.25Å; L182-L186 PolarHBondContact O-N 2.75Å
183	V	92.3	Very high	90.7	Very high	109 Å²	109	66 Å²	66	66%	0.661	38%	0.376	S	S	*	.	H	α-helix	trans	-65.2	-45.3	-177.5	178.5	0	0	0	0	110.6	H181 F185 L186 A187	H181-V183 VanDerWaalsContact C-N 3.35Å; H181-V183 PolarHBondContact O-N 2.92Å; V183-F185 VanDerWaalsContact C-N 3.34Å; V183-F185 PolarHBondContact O-N 2.98Å; V183-L186 PolarHBondContact O-N 3.4Å; V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.35Å; V183-A187 PolarHBondContact O-N 2.97Å
184	D	92.4	Very high	90.3	Very high	94 Å²	94	73.6 Å²	73.6	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-41.4	178.2	-61.1	-26.6	0	0	0	111.4	H181 A187 A188	H181-D184 HydrophobicContact CB-CB 4.35Å; H181-D184 WeakPolarHBondContact CB-OD2 3.09Å; H181-D184 IonicContact CD2-OD2 3.81Å; H181-D184 IonicContact CG-OD2 3.98Å; H181-D184 PolarHBondContact O-N 3.21Å; D184-A187 PolarHBondContact O-N 3.19Å; D184-A188 VanDerWaalsContact O-CB 3.28Å; D184-A188 WeakPolarHBondContact O-CB 3.33Å; D184-A188 PolarHBondContact O-N 3.42Å
185	F	92.1	Very high	90.1	Very high	14 Å²	14	77.7 Å²	77.7	6%	0.061	42%	0.423	C	S	.	.	H	α-helix	trans	-60.1	-50.4	174.7	177.8	-97	0	0	0	111.3	Y177 H181 L182 V183 A187 A188 V189 V223 Y227	Y177-F185 HydrophobicContact CE1-CE2 4.07Å; Y177-F185 HydrophobicContact CE1-CZ 4.44Å; H181-F185 WeakPolarHBondContact O-CB 3.45Å; H181-F185 PolarHBondContact O-N 3.34Å; L182-F185 PolarHBondContact O-N 3.18Å; V183-F185 VanDerWaalsContact C-N 3.34Å; V183-F185 PolarHBondContact O-N 2.98Å; F185-A187 VanDerWaalsContact C-N 3.34Å; F185-A187 PolarHBondContact O-N 3.18Å; F185-A188 PolarHBondContact O-N 2.84Å; F185-V189 HydrophobicContact CD2-CG2 4.09Å; F185-V189 HydrophobicContact CE1-CG1 4.45Å; F185-V189 HydrophobicContact CE2-CB 4.29Å; F185-V189 HydrophobicContact CE2-CG1 4.33Å; F185-V189 HydrophobicContact CE2-CG2 3.91Å; F185-V189 HydrophobicContact CZ-CB 4.26Å; F185-V189 HydrophobicContact CZ-CG1 4Å; F185-V189 HydrophobicContact CZ-CG2 4.36Å; F185-V189 WeakPolarHBondContact O-CB 3.33Å; F185-V189 PolarHBondContact O-N 3.34Å; F185-V223 HydrophobicContact CE1-CG1 4.14Å; F185-V223 HydrophobicContact CZ-CG1 4.16Å; F185-Y227 HydrophobicContact CE2-CD1 4.07Å; F185-Y227 AromaticContact CE2-CD2 3.8Å; F185-Y227 HydrophobicContact CE2-CD2 3.8Å; F185-Y227 HydrophobicContact CE2-CE1 4.36Å; F185-Y227 HydrophobicContact CE2-CE2 4.1Å; F185-Y227 AromaticContact CE2-CG 3.76Å; F185-Y227 HydrophobicContact CE2-CG 3.76Å; F185-Y227 HydrophobicContact CZ-CG 4.35Å
186	L	91.4	Very high	89.9	Confident	64 Å²	64	77.7 Å²	77.7	34%	0.335	43%	0.429	S	S	.	.	H	α-helix	trans	-64.8	-37.8	179.6	-70.6	175.5	0	0	0	112.3	L182 V183 G190 F220	L182-L186 HydrophobicContact CD1-CD1 3.92Å; L182-L186 HydrophobicContact CD1-CG 4.09Å; L182-L186 HydrophobicContact CG-CD1 4.04Å; L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 WeakPolarHBondContact O-CG 3.25Å; L182-L186 PolarHBondContact O-N 2.75Å; V183-L186 PolarHBondContact O-N 3.4Å; L186-G190 VanDerWaalsContact O-CA 3.23Å; L186-G190 WeakPolarHBondContact O-CA 3.37Å; L186-G190 PolarHBondContact O-N 3.26Å; L186-F220 HydrophobicContact CD2-CE1 3.7Å; L186-F220 HydrophobicContact CD2-CZ 4.05Å
187	A	90.4	Very high	89.7	Confident	83 Å²	83	79.4 Å²	79.4	69%	0.686	44%	0.44	S	S	*	.	H	α-helix	trans	-64.9	-42.4	176.2	0	0	0	0	0	111.7	V183 D184 F185	V183-A187 VanDerWaalsContact O-CB 3.31Å; V183-A187 WeakPolarHBondContact O-CB 3.35Å; V183-A187 PolarHBondContact O-N 2.97Å; D184-A187 PolarHBondContact O-N 3.19Å; F185-A187 VanDerWaalsContact C-N 3.34Å; F185-A187 PolarHBondContact O-N 3.18Å
188	A	88.1	Confident	89.5	Confident	65 Å²	65	78 Å²	78	54%	0.537	44%	0.436	S	S	.	.	H	α-helix	trans	-76	-34.2	-179	0	0	0	0	0	113.5	D184 F185 H192	D184-A188 VanDerWaalsContact O-CB 3.28Å; D184-A188 WeakPolarHBondContact O-CB 3.33Å; D184-A188 PolarHBondContact O-N 3.42Å; F185-A188 PolarHBondContact O-N 2.84Å; A188-H192 PolarHBondContact O-CD2 3.47Å
189	V	89.2	Confident	89.7	Confident	5 Å²	5	74.7 Å²	74.7	3%	0.03	42%	0.422	C	S	.	.	H	α-helix	trans	-114.9	-37.4	-165.9	176.6	0	0	0	0	112.1	F185 G191 H192 F193 V223 Y227 F257	F185-V189 HydrophobicContact CD2-CG2 4.09Å; F185-V189 HydrophobicContact CE1-CG1 4.45Å; F185-V189 HydrophobicContact CE2-CB 4.29Å; F185-V189 HydrophobicContact CE2-CG1 4.33Å; F185-V189 HydrophobicContact CE2-CG2 3.91Å; F185-V189 HydrophobicContact CZ-CB 4.26Å; F185-V189 HydrophobicContact CZ-CG1 4Å; F185-V189 HydrophobicContact CZ-CG2 4.36Å; F185-V189 WeakPolarHBondContact O-CB 3.33Å; F185-V189 PolarHBondContact O-N 3.34Å; V189-G191 PolarHBondContact O-N 2.81Å; V189-H192 WeakPolarHBondContact O-CB 3.42Å; V189-H192 PolarHBondContact O-N 3.21Å; V189-H192 VanDerWaalsContact O-N 3.08Å; V189-F193 HydrophobicContact CG1-CD2 4.02Å; V189-F193 HydrophobicContact CG1-CE2 3.43Å; V189-F193 VanDerWaalsContact CG1-CE2 3.43Å; V189-F193 WeakPolarHBondContact O-CD2 3.37Å; V189-V223 HydrophobicContact CG1-CG1 4.28Å; V189-Y227 HydrophobicContact CG1-CD2 4.38Å; V189-Y227 HydrophobicContact CG2-CD2 3.69Å; V189-Y227 HydrophobicContact CG2-CE2 3.74Å; V189-F257 HydrophobicContact CB-CZ 4.41Å; V189-F257 HydrophobicContact CG1-CE2 3.86Å; V189-F257 HydrophobicContact CG1-CZ 3.7Å; V189-F257 HydrophobicContact CG2-CZ 4.25Å
190	G	84.8	Confident	90	Very high	29 Å²	29	69.4 Å²	69.4	30%	0.299	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-60.2	-38.2	-169.4	0	0	0	0	0	114.2	L186 H192 F193	L186-G190 VanDerWaalsContact O-CA 3.23Å; L186-G190 WeakPolarHBondContact O-CA 3.37Å; L186-G190 PolarHBondContact O-N 3.26Å; G190-H192 PolarHBondContact O-N 2.76Å; G190-H192 VanDerWaalsContact O-N 3.14Å; G190-F193 PolarHBondContact O-N 3.35Å
191	G	87.1	Confident	90	Very high	48 Å²	48	66.7 Å²	66.7	50%	0.495	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-64	-17.8	178.9	0	0	0	0	0	114.6	V189	V189-G191 PolarHBondContact O-N 2.81Å
192	H	90.4	Very high	89.8	Confident	59 Å²	59	67.2 Å²	67.2	27%	0.273	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-84	-20.4	179.6	-62.6	-80.6	0	0	0	112.7	A188 V189 G190 F257 K260 L261	A188-H192 PolarHBondContact O-CD2 3.47Å; V189-H192 WeakPolarHBondContact O-CB 3.42Å; V189-H192 PolarHBondContact O-N 3.21Å; V189-H192 VanDerWaalsContact O-N 3.08Å; G190-H192 PolarHBondContact O-N 2.76Å; G190-H192 VanDerWaalsContact O-N 3.14Å; H192-F257 HydrophobicContact CB-CD2 3.75Å; H192-F257 HydrophobicContact CB-CE2 3.69Å; H192-K260 HydrophobicContact CB-CD 4.41Å; H192-K260 PolarHBondContact O-NZ 3.27Å; H192-L261 WeakPolarHBondContact CE1-CD2 3.44Å
193	F	90.6	Very high	89.5	Confident	28 Å²	28	62.1 Å²	62.1	12%	0.123	37%	0.371	C	S	.	.	S	Bend	trans	-94.5	127.8	178.3	-67.1	-78.1	0	0	0	111.7	V189 G190 L198 V223 A226 F257	V189-F193 HydrophobicContact CG1-CD2 4.02Å; V189-F193 HydrophobicContact CG1-CE2 3.43Å; V189-F193 VanDerWaalsContact CG1-CE2 3.43Å; V189-F193 WeakPolarHBondContact O-CD2 3.37Å; G190-F193 PolarHBondContact O-N 3.35Å; F193-L198 HydrophobicContact CB-CD1 4Å; F193-L198 HydrophobicContact CB-CG 4.49Å; F193-L198 HydrophobicContact CD1-CD2 3.97Å; F193-V223 HydrophobicContact CD1-CG2 4.41Å; F193-V223 HydrophobicContact CD2-CG1 3.96Å; F193-V223 HydrophobicContact CD2-CG2 4.33Å; F193-V223 HydrophobicContact CE2-CG1 3.75Å; F193-V223 HydrophobicContact CG-CG2 4.23Å; F193-V223 HydrophobicContact CZ-CG1 4.24Å; F193-A226 HydrophobicContact CE1-CB 3.81Å; F193-A226 HydrophobicContact CZ-CB 3.62Å; F193-F257 HydrophobicContact CD2-CD2 4.36Å; F193-F257 HydrophobicContact CE1-CB 4.02Å; F193-F257 HydrophobicContact CE1-CD2 4.24Å; F193-F257 HydrophobicContact CE1-CG 4.24Å; F193-F257 AromaticContact CE2-CD2 3.52Å; F193-F257 HydrophobicContact CE2-CD2 3.52Å; F193-F257 AromaticContact CE2-CE2 3.67Å; F193-F257 HydrophobicContact CE2-CE2 3.67Å; F193-F257 HydrophobicContact CE2-CG 4.05Å; F193-F257 HydrophobicContact CE2-CZ 4.3Å; F193-F257 HydrophobicContact CZ-CB 3.8Å; F193-F257 HydrophobicContact CZ-CD1 4.13Å; F193-F257 AromaticContact CZ-CD2 3.47Å; F193-F257 HydrophobicContact CZ-CD2 3.47Å; F193-F257 VanDerWaalsContact CZ-CD2 3.47Å; F193-F257 HydrophobicContact CZ-CE2 4.04Å; F193-F257 AromaticContact CZ-CG 3.53Å; F193-F257 HydrophobicContact CZ-CG 3.53Å
194	R	89.9	Confident	89.3	Confident	161 Å²	161	57 Å²	57	61%	0.608	34%	0.34	S	S	*	.			trans	-98	124.9	177.3	-62.6	-56.3	-170.3	-163.3	1.1	110	G196 T197 L198	R194-G196 VanDerWaalsContact C-N 3.3Å; R194-G196 PolarHBondContact O-N 3.22Å; R194-T197 WeakPolarHBondContact O-CB 2.99Å; R194-T197 PolarHBondContact O-N 2.83Å; R194-L198 PolarHBondContact O-N 3.02Å
195	M	90.7	Very high	89.2	Confident	110 Å²	110	56.4 Å²	56.4	54%	0.542	34%	0.335	S	S	.	.	H	α-helix	trans	-54.5	-43.7	-179.5	-75.1	-59.9	-65	0	0	112.8	T197 L198 L199 F219	M195-T197 VanDerWaalsContact C-N 3.28Å; M195-T197 PolarHBondContact O-N 3.31Å; M195-L198 PolarHBondContact O-N 3.18Å; M195-L199 HydrophobicContact CE-CD1 4.13Å; M195-L199 HydrophobicContact CE-CG 4.3Å; M195-L199 VanDerWaalsContact O-CB 3.31Å; M195-L199 WeakPolarHBondContact O-CB 3.43Å; M195-L199 WeakPolarHBondContact O-CG 3.35Å; M195-L199 PolarHBondContact O-N 3.48Å; M195-F219 HydrophobicContact CE-CE1 3.83Å; M195-F219 HydrophobicContact CE-CZ 3.62Å; M195-F219 HydrophobicContact SD-CE1 3.79Å; M195-F219 HydrophobicContact SD-CZ 3.8Å
196	G	90.7	Very high	89	Confident	56 Å²	56	60.4 Å²	60.4	58%	0.577	36%	0.356	S	S	*	.	H	α-helix	trans	-57	-40.3	177.6	0	0	0	0	0	113.2	R194 S200	R194-G196 VanDerWaalsContact C-N 3.3Å; R194-G196 PolarHBondContact O-N 3.22Å; G196-S200 WeakPolarHBondContact O-CB 3.03Å; G196-S200 PolarHBondContact O-N 3.1Å; G196-S200 VanDerWaalsContact O-N 3.1Å
197	T	89.2	Confident	88.9	Confident	49 Å²	49	57.4 Å²	57.4	30%	0.301	34%	0.34	S	S	.	.	H	α-helix	trans	-70.9	-44.8	177.3	-51	0	0	0	0	112	R194 M195 L199 S200	R194-T197 WeakPolarHBondContact O-CB 2.99Å; R194-T197 PolarHBondContact O-N 2.83Å; M195-T197 VanDerWaalsContact C-N 3.28Å; M195-T197 PolarHBondContact O-N 3.31Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 3.48Å; T197-S200 PolarHBondContact O-N 3.2Å; T197-S200 PolarHBondContact O-OG 3.48Å
198	L	89.5	Confident	88.8	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-40.5	178.6	-63.2	-172.8	0	0	0	111.7	F193 R194 M195 S200 R201 F219 Q222 V223	F193-L198 HydrophobicContact CB-CD1 4Å; F193-L198 HydrophobicContact CB-CG 4.49Å; F193-L198 HydrophobicContact CD1-CD2 3.97Å; R194-L198 PolarHBondContact O-N 3.02Å; M195-L198 PolarHBondContact O-N 3.18Å; L198-S200 VanDerWaalsContact C-N 3.31Å; L198-S200 PolarHBondContact O-N 2.97Å; L198-R201 PolarHBondContact O-N 2.86Å; L198-F219 HydrophobicContact CB-CE2 3.91Å; L198-F219 HydrophobicContact CB-CZ 3.58Å; L198-F219 HydrophobicContact CD1-CE1 3.97Å; L198-F219 HydrophobicContact CD1-CZ 3.73Å; L198-F219 HydrophobicContact CG-CZ 4.34Å; L198-Q222 HydrophobicContact CD2-CG 4.06Å; L198-Q222 VanDerWaalsContact CD2-OE1 3.29Å; L198-V223 HydrophobicContact CD1-CG2 4.12Å
199	L	91.7	Very high	88.9	Confident	69 Å²	69	62.2 Å²	62.2	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-72.5	-22.2	178	-68.2	170.6	0	0	0	113.1	M195 T197 R201 V204 Q205 L208 F219	M195-L199 HydrophobicContact CE-CD1 4.13Å; M195-L199 HydrophobicContact CE-CG 4.3Å; M195-L199 VanDerWaalsContact O-CB 3.31Å; M195-L199 WeakPolarHBondContact O-CB 3.43Å; M195-L199 WeakPolarHBondContact O-CG 3.35Å; M195-L199 PolarHBondContact O-N 3.48Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 3.48Å; L199-R201 VanDerWaalsContact C-N 3.33Å; L199-V204 HydrophobicContact CD2-CG1 4.37Å; L199-Q205 WeakPolarHBondContact O-CG 3.27Å; L199-L208 HydrophobicContact CD2-CD1 3.67Å; L199-F219 HydrophobicContact CD2-CE2 3.84Å; L199-F219 HydrophobicContact CD2-CZ 4.4Å; L199-F219 HydrophobicContact CG-CE2 4.33Å
200	S	90.3	Very high	88.9	Confident	66 Å²	66	63 Å²	63	46%	0.462	34%	0.343	S	S	.	.	H	α-helix	trans	-80.3	-14.4	178.8	74.6	0	0	0	0	113.4	G196 T197 L198 Q202 Q205	G196-S200 WeakPolarHBondContact O-CB 3.03Å; G196-S200 PolarHBondContact O-N 3.1Å; G196-S200 VanDerWaalsContact O-N 3.1Å; T197-S200 PolarHBondContact O-N 3.2Å; T197-S200 PolarHBondContact O-OG 3.48Å; L198-S200 VanDerWaalsContact C-N 3.31Å; L198-S200 PolarHBondContact O-N 2.97Å; S200-Q202 PolarHBondContact O-N 3.31Å; S200-Q205 PolarHBondContact O-NE2 3.36Å
201	R	88.3	Confident	88.9	Confident	22 Å²	22	67.2 Å²	67.2	8%	0.083	37%	0.374	C	S	.	.	S	Bend	trans	-59.1	132.4	177.2	-62.5	-60	-169.1	-156.6	-8.8	110.6	L198 L199 S203 V204 Q205 S253 E256	L198-R201 PolarHBondContact O-N 2.86Å; L199-R201 VanDerWaalsContact C-N 3.33Å; R201-S203 VanDerWaalsContact C-N 3.31Å; R201-S203 PolarHBondContact O-N 2.78Å; R201-V204 HydrophobicContact CB-CB 4.22Å; R201-V204 HydrophobicContact CB-CG2 4.01Å; R201-V204 PolarHBondContact O-N 3.39Å; R201-Q205 PolarHBondContact O-N 2.91Å; R201-S253 PolarHBondContact NE-OG 3.11Å; R201-S253 PolarHBondContact NH2-OG 3.16Å; R201-E256 IonicContact CZ-OE1 3.95Å; R201-E256 IonicContact NH1-OE1 2.85Å; R201-E256 PolarHBondContact NH1-OE1 2.86Å; R201-E256 IonicContact NH2-OE1 3.14Å; R201-E256 PolarHBondContact NH2-OE1 3.2Å; R201-E256 IonicContact NH2-OE2 3.31Å; R201-E256 PolarHBondContact NH2-OE2 3.45Å
202	Q	86.1	Confident	88.8	Confident	148 Å²	148	70 Å²	70	69%	0.692	38%	0.375	S	S	*	.	H	α-helix	trans	-57.8	-41.2	-176.2	-172.1	-178.4	9.4	0	0	112.8	S200 V204 Q205 L206	S200-Q202 PolarHBondContact O-N 3.31Å; Q202-V204 VanDerWaalsContact C-N 3.3Å; Q202-V204 PolarHBondContact O-N 3.14Å; Q202-Q205 PolarHBondContact O-N 3.25Å; Q202-L206 HydrophobicContact CG-CD1 4.02Å; Q202-L206 HydrophobicContact CG-CG 4.41Å; Q202-L206 WeakPolarHBondContact O-CB 3.43Å; Q202-L206 VanDerWaalsContact O-CG 3.27Å; Q202-L206 WeakPolarHBondContact O-CG 3.41Å; Q202-L206 PolarHBondContact O-N 3.49Å
203	S	84.1	Confident	88.7	Confident	19 Å²	19	68.2 Å²	68.2	13%	0.133	37%	0.372	C	S	.	.	H	α-helix	trans	-58.7	-43	175.8	48.2	0	0	0	0	111.8	R201 R207	R201-S203 VanDerWaalsContact C-N 3.31Å; R201-S203 PolarHBondContact O-N 2.78Å; S203-R207 WeakPolarHBondContact O-CB 3.41Å; S203-R207 PolarHBondContact O-N 3.28Å
204	V	88.3	Confident	88.7	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	37%	0.373	C	S	.	.	H	α-helix	trans	-69.6	-46.8	179.4	177.3	0	0	0	0	111.2	L199 R201 Q202 L206 R207 L208 M214 F219	L199-V204 HydrophobicContact CD2-CG1 4.37Å; R201-V204 HydrophobicContact CB-CB 4.22Å; R201-V204 HydrophobicContact CB-CG2 4.01Å; R201-V204 PolarHBondContact O-N 3.39Å; Q202-V204 VanDerWaalsContact C-N 3.3Å; Q202-V204 PolarHBondContact O-N 3.14Å; V204-L206 PolarHBondContact O-N 3.21Å; V204-R207 PolarHBondContact O-N 3.5Å; V204-L208 HydrophobicContact CG1-CD1 3.7Å; V204-L208 HydrophobicContact CG1-CG 4.22Å; V204-L208 WeakPolarHBondContact O-CB 3.4Å; V204-L208 WeakPolarHBondContact O-CG 3.27Å; V204-L208 PolarHBondContact O-N 3.14Å; V204-M214 HydrophobicContact CB-CE 4.07Å; V204-M214 HydrophobicContact CG1-CE 3.91Å; V204-M214 HydrophobicContact CG1-SD 4.09Å; V204-M214 HydrophobicContact CG2-CE 4.13Å; V204-F219 HydrophobicContact CG1-CD2 4.08Å; V204-F219 HydrophobicContact CG1-CE2 4.12Å
205	Q	90.4	Very high	88.7	Confident	81 Å²	81	62.5 Å²	62.5	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-43.6	177.9	-70.5	-170.4	-8	0	0	112.8	L199 S200 R201 Q202 R207 K209	L199-Q205 WeakPolarHBondContact O-CG 3.27Å; S200-Q205 PolarHBondContact O-NE2 3.36Å; R201-Q205 PolarHBondContact O-N 2.91Å; Q202-Q205 PolarHBondContact O-N 3.25Å; Q205-R207 VanDerWaalsContact C-N 3.34Å; Q205-K209 WeakPolarHBondContact O-CB 3.11Å; Q205-K209 VanDerWaalsContact O-CG 3.26Å; Q205-K209 WeakPolarHBondContact O-CG 3.49Å; Q205-K209 PolarHBondContact O-N 3.03Å; Q205-K209 VanDerWaalsContact O-N 3.11Å
206	L	87.7	Confident	88.7	Confident	98 Å²	98	63.2 Å²	63.2	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-42.2	179.8	-75.1	171.5	0	0	0	111.5	Q202 V204 K209 S210	Q202-L206 HydrophobicContact CG-CD1 4.02Å; Q202-L206 HydrophobicContact CG-CG 4.41Å; Q202-L206 WeakPolarHBondContact O-CB 3.43Å; Q202-L206 VanDerWaalsContact O-CG 3.27Å; Q202-L206 WeakPolarHBondContact O-CG 3.41Å; Q202-L206 PolarHBondContact O-N 3.49Å; V204-L206 PolarHBondContact O-N 3.21Å; L206-K209 PolarHBondContact O-N 2.98Å; L206-S210 PolarHBondContact O-N 3.27Å
207	R	88.5	Confident	88.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-72.8	-41.4	-179.7	-176.3	67.5	-178.5	118.5	15.3	112	P122 E128 S203 V204 Q205 K209 S210 E212 G213 M214 E218	P122-R207 HydrophobicContact CB-CB 4.45Å; P122-R207 HydrophobicContact CB-CG 4.21Å; E128-R207 VanDerWaalsContact N-CZ 3.3Å; E128-R207 VanDerWaalsContact N-NH2 3.17Å; E128-R207 IonicContact OE2-NH2 2.72Å; S203-R207 WeakPolarHBondContact O-CB 3.41Å; S203-R207 PolarHBondContact O-N 3.28Å; V204-R207 PolarHBondContact O-N 3.5Å; Q205-R207 VanDerWaalsContact C-N 3.34Å; R207-K209 PolarHBondContact O-N 3.03Å; R207-S210 PolarHBondContact NH1-OG 3.16Å; R207-S210 VanDerWaalsContact O-CB 3.25Å; R207-S210 WeakPolarHBondContact O-CB 3.42Å; R207-S210 PolarHBondContact O-N 3.36Å; R207-S210 PolarHBondContact O-OG 3.32Å; R207-E212 IonicContact NH1-OE2 3.32Å; R207-E212 PolarHBondContact NH1-OE2 2.91Å; R207-E212 IonicContact NH2-OE2 2.6Å; R207-G213 PolarHBondContact NE-O 3.18Å; R207-G213 PolarHBondContact NH1-O 3.36Å; R207-G213 PolarHBondContact NH2-O 2.77Å; R207-G213 CarbonylContact O-C 3.55Å; R207-M214 HydrophobicContact CB-CE 3.54Å; R207-M214 HydrophobicContact CG-CB 3.93Å; R207-M214 HydrophobicContact CG-CE 3.63Å; R207-M214 HydrophobicContact CG-CG 4.13Å; R207-E218 IonicContact CZ-OE1 2.69Å; R207-E218 IonicContact CZ-OE2 2.89Å; R207-E218 IonicContact NE-OE1 3.19Å; R207-E218 PolarHBondContact NE-OE1 3.24Å; R207-E218 IonicContact NE-OE2 3.37Å; R207-E218 PolarHBondContact NE-OE2 3.45Å; R207-E218 IonicContact NH2-OE1 3.08Å; R207-E218 IonicContact NH2-OE2 3.21Å; R207-E218 PolarHBondContact NH2-OE2 3.17Å; R207-E218 VanDerWaalsContact NH2-OE2 3.11Å
208	L	89.6	Confident	88.5	Confident	79 Å²	79	60.9 Å²	60.9	41%	0.414	34%	0.341	S	S	.	.	H	α-helix	trans	-58.6	-34.3	172.8	-76.9	170.7	0	0	0	113.1	L199 V204 S210 M214	L199-L208 HydrophobicContact CD2-CD1 3.67Å; V204-L208 HydrophobicContact CG1-CD1 3.7Å; V204-L208 HydrophobicContact CG1-CG 4.22Å; V204-L208 WeakPolarHBondContact O-CB 3.4Å; V204-L208 WeakPolarHBondContact O-CG 3.27Å; V204-L208 PolarHBondContact O-N 3.14Å; L208-S210 VanDerWaalsContact C-N 3.31Å; L208-M214 HydrophobicContact CD2-CB 3.84Å; L208-M214 HydrophobicContact CG-CB 4.26Å
209	K	89.8	Confident	88.6	Confident	170 Å²	170	61.5 Å²	61.5	74%	0.739	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.2	176.7	-69.8	174.1	-178.8	177.8	0	113.7	Q205 L206 R207	Q205-K209 WeakPolarHBondContact O-CB 3.11Å; Q205-K209 VanDerWaalsContact O-CG 3.26Å; Q205-K209 WeakPolarHBondContact O-CG 3.49Å; Q205-K209 PolarHBondContact O-N 3.03Å; Q205-K209 VanDerWaalsContact O-N 3.11Å; L206-K209 PolarHBondContact O-N 2.98Å; R207-K209 PolarHBondContact O-N 3.03Å
210	S	89.1	Confident	88.6	Confident	22 Å²	22	61.2 Å²	61.2	15%	0.154	34%	0.34	C	S	.	.	S	Bend	trans	-72.7	158.3	178.4	77	0	0	0	0	111.1	T126 L206 R207 L208 E212 G213	T126-S210 WeakPolarHBondContact O-CB 3.34Å; L206-S210 PolarHBondContact O-N 3.27Å; R207-S210 PolarHBondContact NH1-OG 3.16Å; R207-S210 VanDerWaalsContact O-CB 3.25Å; R207-S210 WeakPolarHBondContact O-CB 3.42Å; R207-S210 PolarHBondContact O-N 3.36Å; R207-S210 PolarHBondContact O-OG 3.32Å; L208-S210 VanDerWaalsContact C-N 3.31Å; S210-E212 PolarHBondContact O-N 2.8Å; S210-E212 VanDerWaalsContact O-N 3.17Å; S210-G213 PolarHBondContact O-N 3.35Å; S210-G213 PolarHBondContact OG-N 3.33Å; S210-G213 PolarHBondContact OG-O 3.03Å
211	A	85.8	Confident	88.7	Confident	117 Å²	117	58.7 Å²	58.7	97%	0.967	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.1	-177.1	0	0	0	0	0	113.7
212	E	84.4	Confident	88.9	Confident	108 Å²	108	57.9 Å²	57.9	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-10.1	178.9	-67.1	166.5	-171.9	0	0	112.9	K127 E128 R207 S210	K127-E212 WeakPolarHBondContact CA-OE2 3.44Å; E128-E212 PolarHBondContact N-OE2 3.33Å; R207-E212 IonicContact NH1-OE2 3.32Å; R207-E212 PolarHBondContact NH1-OE2 2.91Å; R207-E212 IonicContact NH2-OE2 2.6Å; S210-E212 PolarHBondContact O-N 2.8Å; S210-E212 VanDerWaalsContact O-N 3.17Å
213	G	87.9	Confident	89.3	Confident	20 Å²	20	51.1 Å²	51.1	21%	0.206	29%	0.286	C	S	.	.			trans	70.9	-151.2	-174	0	0	0	0	0	113.5	R207 S210	R207-G213 PolarHBondContact NE-O 3.18Å; R207-G213 PolarHBondContact NH1-O 3.36Å; R207-G213 PolarHBondContact NH2-O 2.77Å; R207-G213 CarbonylContact O-C 3.55Å; S210-G213 PolarHBondContact O-N 3.35Å; S210-G213 PolarHBondContact OG-N 3.33Å; S210-G213 PolarHBondContact OG-O 3.03Å
214	M	89.9	Confident	89.8	Confident	32 Å²	32	51.1 Å²	51.1	16%	0.158	29%	0.285	C	S	.	.			trans	-137	133.3	176.1	-179.1	-175.1	-81	0	0	109	P122 V204 R207 L208 E218 F219	P122-M214 HydrophobicContact CB-CE 3.89Å; P122-M214 HydrophobicContact CG-CE 4.02Å; V204-M214 HydrophobicContact CB-CE 4.07Å; V204-M214 HydrophobicContact CG1-CE 3.91Å; V204-M214 HydrophobicContact CG1-SD 4.09Å; V204-M214 HydrophobicContact CG2-CE 4.13Å; R207-M214 HydrophobicContact CB-CE 3.54Å; R207-M214 HydrophobicContact CG-CB 3.93Å; R207-M214 HydrophobicContact CG-CE 3.63Å; R207-M214 HydrophobicContact CG-CG 4.13Å; L208-M214 HydrophobicContact CD2-CB 3.84Å; L208-M214 HydrophobicContact CG-CB 4.26Å; M214-E218 HydrophobicContact CG-CB 3.78Å; M214-F219 HydrophobicContact CG-CB 4.49Å; M214-F219 HydrophobicContact SD-CB 3.72Å; M214-F219 HydrophobicContact SD-CD2 3.93Å; M214-F219 HydrophobicContact SD-CG 4.34Å
215	S	90.3	Very high	90.2	Very high	37 Å²	37	51.7 Å²	51.7	26%	0.259	29%	0.287	S	S	.	.			trans	-78.7	158.7	175.1	69.3	0	0	0	0	112.1	E128 A217 E218 F219	E128-S215 WeakPolarHBondContact OE1-CB 3.12Å; E128-S215 PolarHBondContact OE1-OG 3.45Å; S215-A217 PolarHBondContact O-N 3.22Å; S215-E218 PolarHBondContact N-OE2 2.96Å; S215-E218 PolarHBondContact O-N 3.37Å; S215-E218 WeakPolarHBondContact OG-CG 3.45Å; S215-E218 PolarHBondContact OG-N 2.91Å; S215-F219 PolarHBondContact O-N 3.19Å
216	L	90.3	Very high	90.5	Very high	126 Å²	126	47.9 Å²	47.9	66%	0.66	27%	0.269	S	S	*	.	H	α-helix	trans	-59.4	-37.1	176.4	-171.9	63.6	0	0	0	111.3	F219 F220	L216-F219 PolarHBondContact O-N 2.99Å; L216-F220 HydrophobicContact CD1-CD2 3.86Å; L216-F220 HydrophobicContact CD1-CE2 3.63Å; L216-F220 HydrophobicContact CD2-CE2 4.39Å; L216-F220 HydrophobicContact CG-CD2 3.87Å; L216-F220 HydrophobicContact CG-CE2 3.89Å; L216-F220 WeakPolarHBondContact O-CD2 3.32Å; L216-F220 PolarHBondContact O-N 3.22Å
217	A	88.3	Confident	90.9	Very high	49 Å²	49	44.4 Å²	44.4	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-49	177.5	0	0	0	0	0	111.8	L119 S215 F219 F220 Y221	L119-A217 WeakPolarHBondContact CD2-O 3.48Å; L119-A217 HydrophobicContact CG-CB 4.44Å; S215-A217 PolarHBondContact O-N 3.22Å; A217-F219 VanDerWaalsContact C-N 3.27Å; A217-F219 PolarHBondContact O-N 3.21Å; A217-F220 PolarHBondContact O-N 3.43Å; A217-Y221 PolarHBondContact O-N 3.16Å
218	E	89.1	Confident	91.4	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.028	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-41	174.6	-72.8	-176.4	130.2	0	0	111.3	R207 M214 S215 F220 Y221	R207-E218 IonicContact CZ-OE1 2.69Å; R207-E218 IonicContact CZ-OE2 2.89Å; R207-E218 IonicContact NE-OE1 3.19Å; R207-E218 PolarHBondContact NE-OE1 3.24Å; R207-E218 IonicContact NE-OE2 3.37Å; R207-E218 PolarHBondContact NE-OE2 3.45Å; R207-E218 IonicContact NH2-OE1 3.08Å; R207-E218 IonicContact NH2-OE2 3.21Å; R207-E218 PolarHBondContact NH2-OE2 3.17Å; R207-E218 VanDerWaalsContact NH2-OE2 3.11Å; M214-E218 HydrophobicContact CG-CB 3.78Å; S215-E218 PolarHBondContact N-OE2 2.96Å; S215-E218 PolarHBondContact O-N 3.37Å; S215-E218 WeakPolarHBondContact OG-CG 3.45Å; S215-E218 PolarHBondContact OG-N 2.91Å; E218-F220 PolarHBondContact O-N 2.91Å; E218-Y221 WeakPolarHBondContact O-CB 3.28Å; E218-Y221 PolarHBondContact O-N 3.44Å
219	F	91.1	Very high	91.8	Very high	21 Å²	21	40.9 Å²	40.9	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-39	179.8	-178.6	-102.5	0	0	0	112.9	M195 L198 L199 V204 M214 S215 L216 A217 Y221 Q222	M195-F219 HydrophobicContact CE-CE1 3.83Å; M195-F219 HydrophobicContact CE-CZ 3.62Å; M195-F219 HydrophobicContact SD-CE1 3.79Å; M195-F219 HydrophobicContact SD-CZ 3.8Å; L198-F219 HydrophobicContact CB-CE2 3.91Å; L198-F219 HydrophobicContact CB-CZ 3.58Å; L198-F219 HydrophobicContact CD1-CE1 3.97Å; L198-F219 HydrophobicContact CD1-CZ 3.73Å; L198-F219 HydrophobicContact CG-CZ 4.34Å; L199-F219 HydrophobicContact CD2-CE2 3.84Å; L199-F219 HydrophobicContact CD2-CZ 4.4Å; L199-F219 HydrophobicContact CG-CE2 4.33Å; V204-F219 HydrophobicContact CG1-CD2 4.08Å; V204-F219 HydrophobicContact CG1-CE2 4.12Å; M214-F219 HydrophobicContact CG-CB 4.49Å; M214-F219 HydrophobicContact SD-CB 3.72Å; M214-F219 HydrophobicContact SD-CD2 3.93Å; M214-F219 HydrophobicContact SD-CG 4.34Å; S215-F219 PolarHBondContact O-N 3.19Å; L216-F219 PolarHBondContact O-N 2.99Å; A217-F219 VanDerWaalsContact C-N 3.27Å; A217-F219 PolarHBondContact O-N 3.21Å; F219-Y221 PolarHBondContact O-N 2.89Å; F219-Q222 WeakPolarHBondContact O-CG 3.31Å; F219-Q222 PolarHBondContact O-NE2 3.39Å; F219-Q222 VanDerWaalsContact O-NE2 3.16Å
220	F	91.6	Very high	92.1	Very high	62 Å²	62	35.5 Å²	35.5	27%	0.272	21%	0.207	S	C	.	.	H	α-helix	trans	-73.5	-12.1	178.7	-92.5	-84.7	0	0	0	113.7	L119 L186 L216 A217 E218 Q222 V223 L224	L119-F220 HydrophobicContact CD2-CB 4.14Å; L186-F220 HydrophobicContact CD2-CE1 3.7Å; L186-F220 HydrophobicContact CD2-CZ 4.05Å; L216-F220 HydrophobicContact CD1-CD2 3.86Å; L216-F220 HydrophobicContact CD1-CE2 3.63Å; L216-F220 HydrophobicContact CD2-CE2 4.39Å; L216-F220 HydrophobicContact CG-CD2 3.87Å; L216-F220 HydrophobicContact CG-CE2 3.89Å; L216-F220 WeakPolarHBondContact O-CD2 3.32Å; L216-F220 PolarHBondContact O-N 3.22Å; A217-F220 PolarHBondContact O-N 3.43Å; E218-F220 PolarHBondContact O-N 2.91Å; F220-Q222 VanDerWaalsContact C-N 3.3Å; F220-Q222 PolarHBondContact O-N 3.37Å; F220-V223 HydrophobicContact CD1-CB 4.21Å; F220-V223 HydrophobicContact CD1-CG1 4.43Å; F220-V223 HydrophobicContact CD1-CG2 4.25Å; F220-V223 WeakPolarHBondContact O-CB 3.04Å; F220-V223 PolarHBondContact O-N 3.26Å; F220-L224 HydrophobicContact CB-CD1 4.43Å; F220-L224 WeakPolarHBondContact O-CD1 3.35Å; F220-L224 PolarHBondContact O-N 3.3Å; F220-L224 VanDerWaalsContact O-N 3.15Å
221	Y	92.9	Very high	92.5	Very high	13 Å²	13	37 Å²	37	5%	0.051	21%	0.209	C	C	.	.	H	α-helix	trans	-53.3	-46.2	179	-179.1	-87.3	0	0	0	112.5	D81 T116 L119 D121 A217 E218 F219 V223 L224 Q225	D81-Y221 WeakPolarHBondContact OD2-CE2 3.28Å; D81-Y221 PolarHBondContact OD2-OH 3.23Å; T116-Y221 HydrophobicContact CG2-CE2 4.33Å; L119-Y221 HydrophobicContact CB-CD2 4.35Å; D121-Y221 HydrophobicContact CB-CD1 4.01Å; D121-Y221 HydrophobicContact CB-CD2 4.17Å; D121-Y221 HydrophobicContact CB-CE1 3.54Å; D121-Y221 HydrophobicContact CB-CE2 3.7Å; D121-Y221 HydrophobicContact CB-CG 4.32Å; D121-Y221 VanDerWaalsContact CB-CZ 3.4Å; D121-Y221 WeakPolarHBondContact OD1-CE1 3.48Å; A217-Y221 PolarHBondContact O-N 3.16Å; E218-Y221 WeakPolarHBondContact O-CB 3.28Å; E218-Y221 PolarHBondContact O-N 3.44Å; F219-Y221 PolarHBondContact O-N 2.89Å; Y221-V223 PolarHBondContact O-N 3.04Å; Y221-L224 PolarHBondContact O-N 3.05Å; Y221-Q225 HydrophobicContact CE1-CB 4.46Å; Y221-Q225 PolarHBondContact O-N 3.28Å
222	Q	92.4	Very high	93.1	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.023	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-29.1	179.5	70.3	-168.9	-57.1	0	0	113.2	L198 F219 F220 A226 N250	L198-Q222 HydrophobicContact CD2-CG 4.06Å; L198-Q222 VanDerWaalsContact CD2-OE1 3.29Å; F219-Q222 WeakPolarHBondContact O-CG 3.31Å; F219-Q222 PolarHBondContact O-NE2 3.39Å; F219-Q222 VanDerWaalsContact O-NE2 3.16Å; F220-Q222 VanDerWaalsContact C-N 3.3Å; F220-Q222 PolarHBondContact O-N 3.37Å; Q222-A226 VanDerWaalsContact O-CB 3.25Å; Q222-A226 WeakPolarHBondContact O-CB 3.49Å; Q222-A226 PolarHBondContact O-N 3.39Å; Q222-N250 WeakPolarHBondContact CB-OD1 3.3Å
223	V	94.1	Very high	93.8	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-72.1	-42.6	177.2	175.1	0	0	0	0	109.8	F185 V189 F193 L198 F220 Y221 A226 Y227	F185-V223 HydrophobicContact CE1-CG1 4.14Å; F185-V223 HydrophobicContact CZ-CG1 4.16Å; V189-V223 HydrophobicContact CG1-CG1 4.28Å; F193-V223 HydrophobicContact CD1-CG2 4.41Å; F193-V223 HydrophobicContact CD2-CG1 3.96Å; F193-V223 HydrophobicContact CD2-CG2 4.33Å; F193-V223 HydrophobicContact CE2-CG1 3.75Å; F193-V223 HydrophobicContact CG-CG2 4.23Å; F193-V223 HydrophobicContact CZ-CG1 4.24Å; L198-V223 HydrophobicContact CD1-CG2 4.12Å; F220-V223 HydrophobicContact CD1-CB 4.21Å; F220-V223 HydrophobicContact CD1-CG1 4.43Å; F220-V223 HydrophobicContact CD1-CG2 4.25Å; F220-V223 WeakPolarHBondContact O-CB 3.04Å; F220-V223 PolarHBondContact O-N 3.26Å; Y221-V223 PolarHBondContact O-N 3.04Å; V223-A226 PolarHBondContact O-N 3.29Å; V223-Y227 WeakPolarHBondContact O-CB 3.19Å; V223-Y227 PolarHBondContact O-N 3.24Å
224	L	94.9	Very high	94.2	Very high	19 Å²	19	31.1 Å²	31.1	10%	0.099	16%	0.156	C	C	.	.	H	α-helix	trans	-65.5	-47.5	176.5	-84.9	70.6	0	0	0	110.8	T116 L119 Y177 F220 Y221 A226 Y227 D228	T116-L224 HydrophobicContact CG2-CB 3.88Å; T116-L224 HydrophobicContact CG2-CD2 4.39Å; L119-L224 HydrophobicContact CD1-CD2 4.23Å; L119-L224 HydrophobicContact CD2-CD1 3.95Å; L119-L224 HydrophobicContact CD2-CD2 3.8Å; L119-L224 HydrophobicContact CD2-CG 4.41Å; Y177-L224 HydrophobicContact CE1-CD2 4.21Å; Y177-L224 HydrophobicContact CE1-CG 3.9Å; Y177-L224 HydrophobicContact CE2-CB 4.46Å; Y177-L224 HydrophobicContact CE2-CD2 4.22Å; Y177-L224 HydrophobicContact CE2-CG 4.34Å; Y177-L224 WeakPolarHBondContact OH-CA 3.11Å; Y177-L224 WeakPolarHBondContact OH-CB 3.33Å; Y177-L224 PolarHBondContact OH-O 3.17Å; F220-L224 HydrophobicContact CB-CD1 4.43Å; F220-L224 WeakPolarHBondContact O-CD1 3.35Å; F220-L224 PolarHBondContact O-N 3.3Å; F220-L224 VanDerWaalsContact O-N 3.15Å; Y221-L224 PolarHBondContact O-N 3.05Å; L224-A226 VanDerWaalsContact C-N 3.29Å; L224-A226 PolarHBondContact O-N 3.1Å; L224-Y227 CarbonylContact O-C 3.4Å; L224-Y227 WeakPolarHBondContact O-CB 3.4Å; L224-Y227 PolarHBondContact O-N 3.36Å; L224-D228 PolarHBondContact O-N 3.05Å
225	Q	96.2	Very high	94.5	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-36.2	177.6	-175.2	172.5	-9.6	0	0	112.9	Y221 D228 F229 N250	Y221-Q225 HydrophobicContact CE1-CB 4.46Å; Y221-Q225 PolarHBondContact O-N 3.28Å; Q225-D228 WeakPolarHBondContact O-CB 3.28Å; Q225-D228 PolarHBondContact O-N 3.29Å; Q225-F229 PolarHBondContact O-N 3.06Å; Q225-N250 HydrophobicContact CG-CB 4.25Å; Q225-N250 PolarHBondContact OE1-ND2 3.3Å
226	A	96.3	Very high	94.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-40.8	173.5	0	0	0	0	0	112.1	F193 Q222 V223 L224 F229 Y230 F257	F193-A226 HydrophobicContact CE1-CB 3.81Å; F193-A226 HydrophobicContact CZ-CB 3.62Å; Q222-A226 VanDerWaalsContact O-CB 3.25Å; Q222-A226 WeakPolarHBondContact O-CB 3.49Å; Q222-A226 PolarHBondContact O-N 3.39Å; V223-A226 PolarHBondContact O-N 3.29Å; L224-A226 VanDerWaalsContact C-N 3.29Å; L224-A226 PolarHBondContact O-N 3.1Å; A226-F229 PolarHBondContact O-N 2.76Å; A226-Y230 PolarHBondContact O-N 3.27Å; A226-Y230 VanDerWaalsContact O-N 3.14Å; A226-F257 HydrophobicContact CB-CB 4.31Å; A226-F257 HydrophobicContact CB-CD1 4.49Å
227	Y	96.9	Very high	95.1	Very high	25 Å²	25	37 Å²	37	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-36.2	174.7	-175.6	-93.9	0	0	0	112.6	W176 Y177 F185 V189 V223 L224 F229 Y230 Y231 F257	W176-Y227 AromaticContact CD1-CE1 3.94Å; Y177-Y227 AromaticContact CE1-CD1 3.94Å; Y177-Y227 HydrophobicContact CE1-CD1 3.94Å; Y177-Y227 HydrophobicContact CE1-CE1 4.39Å; Y177-Y227 AromaticContact CZ-CD1 3.89Å; Y177-Y227 WeakPolarHBondContact OH-CD1 3.37Å; F185-Y227 HydrophobicContact CE2-CD1 4.07Å; F185-Y227 AromaticContact CE2-CD2 3.8Å; F185-Y227 HydrophobicContact CE2-CD2 3.8Å; F185-Y227 HydrophobicContact CE2-CE1 4.36Å; F185-Y227 HydrophobicContact CE2-CE2 4.1Å; F185-Y227 AromaticContact CE2-CG 3.76Å; F185-Y227 HydrophobicContact CE2-CG 3.76Å; F185-Y227 HydrophobicContact CZ-CG 4.35Å; V189-Y227 HydrophobicContact CG1-CD2 4.38Å; V189-Y227 HydrophobicContact CG2-CD2 3.69Å; V189-Y227 HydrophobicContact CG2-CE2 3.74Å; V223-Y227 WeakPolarHBondContact O-CB 3.19Å; V223-Y227 PolarHBondContact O-N 3.24Å; L224-Y227 CarbonylContact O-C 3.4Å; L224-Y227 WeakPolarHBondContact O-CB 3.4Å; L224-Y227 PolarHBondContact O-N 3.36Å; Y227-F229 VanDerWaalsContact C-N 3.29Å; Y227-F229 PolarHBondContact O-N 3.31Å; Y227-Y230 HydrophobicContact CD2-CD1 4.27Å; Y227-Y230 HydrophobicContact CE2-CD1 4.15Å; Y227-Y230 PolarHBondContact O-N 2.7Å; Y227-Y231 WeakPolarHBondContact O-CB 3.36Å; Y227-Y231 PolarHBondContact O-N 3.35Å; Y227-F257 HydrophobicContact CD2-CE1 4.19Å; Y227-F257 HydrophobicContact CD2-CZ 4.37Å
228	D	97.8	Very high	95.6	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.027	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-43.8	172.9	-72.9	-16.4	0	0	0	111	L111 N173 W176 Y177 L224 Q225 Y231 L232	L111-D228 HydrophobicContact CD2-CB 3.9Å; N173-D228 PolarHBondContact ND2-OD2 2.96Å; W176-D228 VanDerWaalsContact CE2-OD1 3.22Å; W176-D228 HydrophobicContact CZ2-CB 4.14Å; W176-D228 WeakPolarHBondContact CZ2-OD1 3.33Å; W176-D228 PolarHBondContact NE1-OD1 3.04Å; Y177-D228 WeakPolarHBondContact CE2-OD1 3.39Å; Y177-D228 PolarHBondContact OH-OD1 3.31Å; L224-D228 PolarHBondContact O-N 3.05Å; Q225-D228 WeakPolarHBondContact O-CB 3.28Å; Q225-D228 PolarHBondContact O-N 3.29Å; D228-Y231 PolarHBondContact O-N 3.12Å; D228-L232 WeakPolarHBondContact O-CB 3.37Å; D228-L232 VanDerWaalsContact O-CG 3.31Å; D228-L232 WeakPolarHBondContact O-CG 3.45Å; D228-L232 PolarHBondContact O-N 2.88Å
229	F	98.3	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-48	175.4	-160	173.7	0	0	0	110.6	Y77 Q225 A226 Y227 Y231 L232 F233 Q241 I258 V266	Y77-F229 HydrophobicContact CD1-CD2 4.18Å; Y77-F229 HydrophobicContact CD1-CE2 4.37Å; Y77-F229 HydrophobicContact CE1-CB 4.01Å; Y77-F229 HydrophobicContact CE1-CD1 4.3Å; Y77-F229 AromaticContact CE1-CD2 3.46Å; Y77-F229 HydrophobicContact CE1-CD2 3.46Å; Y77-F229 VanDerWaalsContact CE1-CD2 3.46Å; Y77-F229 AromaticContact CE1-CE2 3.94Å; Y77-F229 HydrophobicContact CE1-CE2 3.94Å; Y77-F229 AromaticContact CE1-CG 3.66Å; Y77-F229 HydrophobicContact CE1-CG 3.66Å; Y77-F229 WeakPolarHBondContact OH-CA 3.2Å; Y77-F229 VanDerWaalsContact OH-CB 3.32Å; Y77-F229 WeakPolarHBondContact OH-CB 2.97Å; Y77-F229 PolarHBondContact OH-N 2.98Å; Q225-F229 PolarHBondContact O-N 3.06Å; A226-F229 PolarHBondContact O-N 2.76Å; Y227-F229 VanDerWaalsContact C-N 3.29Å; Y227-F229 PolarHBondContact O-N 3.31Å; F229-Y231 PolarHBondContact O-N 3.32Å; F229-L232 PolarHBondContact O-N 3.45Å; F229-F233 WeakPolarHBondContact O-CB 3.34Å; F229-F233 PolarHBondContact O-N 3.38Å; F229-Q241 HydrophobicContact CD1-CB 4.04Å; F229-Q241 HydrophobicContact CE1-CB 3.63Å; F229-Q241 HydrophobicContact CE2-CB 4.41Å; F229-Q241 HydrophobicContact CZ-CB 3.84Å; F229-I258 HydrophobicContact CB-CD1 3.89Å; F229-I258 HydrophobicContact CD1-CD1 3.86Å; F229-I258 HydrophobicContact CD2-CD1 3.72Å; F229-I258 HydrophobicContact CE1-CD1 4.36Å; F229-I258 HydrophobicContact CE2-CD1 4.23Å; F229-I258 HydrophobicContact CG-CD1 3.53Å; F229-V266 HydrophobicContact CD1-CG2 4.38Å; F229-V266 HydrophobicContact CE1-CB 4.15Å; F229-V266 HydrophobicContact CE1-CG2 3.67Å; F229-V266 HydrophobicContact CE2-CB 4.24Å; F229-V266 HydrophobicContact CE2-CG2 4.45Å; F229-V266 HydrophobicContact CZ-CB 3.66Å; F229-V266 HydrophobicContact CZ-CG1 4.39Å; F229-V266 HydrophobicContact CZ-CG2 3.72Å
230	Y	97.6	Very high	96.1	Very high	58 Å²	58	36.3 Å²	36.3	23%	0.227	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-43	178.6	172.8	-104.9	0	0	0	112.6	A226 Y227 L232 F233 Q234 F257 I258 L261 T262	A226-Y230 PolarHBondContact O-N 3.27Å; A226-Y230 VanDerWaalsContact O-N 3.14Å; Y227-Y230 HydrophobicContact CD2-CD1 4.27Å; Y227-Y230 HydrophobicContact CE2-CD1 4.15Å; Y227-Y230 PolarHBondContact O-N 2.7Å; Y230-L232 PolarHBondContact O-N 3.37Å; Y230-F233 WeakPolarHBondContact O-CB 3.19Å; Y230-F233 PolarHBondContact O-N 2.82Å; Y230-Q234 HydrophobicContact CD2-CG 4.11Å; Y230-Q234 HydrophobicContact CE1-CG 4.09Å; Y230-Q234 HydrophobicContact CE2-CG 3.65Å; Y230-Q234 WeakPolarHBondContact O-CB 3.36Å; Y230-Q234 WeakPolarHBondContact O-CG 3.31Å; Y230-Q234 PolarHBondContact O-N 2.71Å; Y230-F257 HydrophobicContact CD1-CE1 4.04Å; Y230-F257 HydrophobicContact CD2-CE1 4.4Å; Y230-F257 HydrophobicContact CG-CD1 4.32Å; Y230-F257 AromaticContact CG-CE1 3.73Å; Y230-F257 HydrophobicContact CG-CE1 3.73Å; Y230-I258 HydrophobicContact CD2-CG1 4.14Å; Y230-L261 HydrophobicContact CD2-CD1 4.06Å; Y230-L261 HydrophobicContact CE2-CB 4.49Å; Y230-L261 HydrophobicContact CE2-CD1 3.88Å; Y230-L261 HydrophobicContact CG-CD1 4.47Å; Y230-T262 HydrophobicContact CE2-CG2 4.06Å
231	Y	97.5	Very high	96.5	Very high	53 Å²	53	33.4 Å²	33.4	21%	0.208	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-46	176.8	-176.1	-87.4	0	0	0	111.2	W176 Y227 D228 F229 Q234 R235 Y236	W176-Y231 HydrophobicContact CB-CD2 4.1Å; W176-Y231 HydrophobicContact CB-CE2 3.76Å; W176-Y231 AromaticContact CD2-CD1 3.9Å; W176-Y231 HydrophobicContact CD2-CD1 3.9Å; W176-Y231 HydrophobicContact CD2-CD2 4.36Å; W176-Y231 AromaticContact CD2-CE1 3.99Å; W176-Y231 HydrophobicContact CD2-CE1 3.99Å; W176-Y231 HydrophobicContact CD2-CE2 4.44Å; W176-Y231 HydrophobicContact CD2-CG 4.1Å; W176-Y231 AromaticContact CE3-CD1 3.72Å; W176-Y231 HydrophobicContact CE3-CD1 3.72Å; W176-Y231 AromaticContact CE3-CE1 3.45Å; W176-Y231 HydrophobicContact CE3-CE1 3.45Å; W176-Y231 VanDerWaalsContact CE3-CE1 3.45Å; W176-Y231 HydrophobicContact CE3-CG 4.37Å; W176-Y231 AromaticContact CE3-CZ 3.9Å; W176-Y231 HydrophobicContact CG-CD2 4.15Å; W176-Y231 HydrophobicContact CG-CE2 4.21Å; W176-Y231 HydrophobicContact CG-CG 4.31Å; W176-Y231 HydrophobicContact CH2-CD1 4.06Å; W176-Y231 HydrophobicContact CH2-CE1 4.4Å; W176-Y231 HydrophobicContact CZ2-CD1 4.26Å; W176-Y231 AromaticContact CZ3-CD1 3.82Å; W176-Y231 HydrophobicContact CZ3-CD1 3.82Å; W176-Y231 AromaticContact CZ3-CE1 3.71Å; W176-Y231 HydrophobicContact CZ3-CE1 3.71Å; Y227-Y231 WeakPolarHBondContact O-CB 3.36Å; Y227-Y231 PolarHBondContact O-N 3.35Å; D228-Y231 PolarHBondContact O-N 3.12Å; F229-Y231 PolarHBondContact O-N 3.32Å; Y231-Q234 PolarHBondContact O-N 3.33Å; Y231-R235 HydrophobicContact CD1-CG 4.24Å; Y231-R235 HydrophobicContact CD2-CG 4.49Å; Y231-R235 HydrophobicContact CE1-CB 4.34Å; Y231-R235 HydrophobicContact CE1-CG 3.89Å; Y231-R235 HydrophobicContact CE2-CG 4.16Å; Y231-R235 WeakPolarHBondContact O-CB 3.21Å; Y231-R235 WeakPolarHBondContact O-CG 3.37Å; Y231-R235 PolarHBondContact O-N 2.92Å; Y231-Y236 HydrophobicContact CE1-CE2 4.38Å
232	L	98.4	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-35.3	178.4	-67.6	177.7	0	0	0	112.7	Y77 I109 L111 L171 W176 D228 F229 Y230 Y236 G237 C238	Y77-L232 HydrophobicContact CD1-CD1 3.9Å; Y77-L232 HydrophobicContact CD2-CD1 3.45Å; Y77-L232 VanDerWaalsContact CD2-CD1 3.45Å; Y77-L232 HydrophobicContact CE1-CD1 4.29Å; Y77-L232 HydrophobicContact CE2-CD1 3.89Å; Y77-L232 HydrophobicContact CG-CD1 3.42Å; Y77-L232 VanDerWaalsContact CG-CD1 3.42Å; I109-L232 HydrophobicContact CD1-CD2 4.21Å; L111-L232 HydrophobicContact CD2-CD1 4.16Å; L171-L232 HydrophobicContact CD1-CD2 3.68Å; W176-L232 HydrophobicContact CH2-CD2 4.36Å; D228-L232 WeakPolarHBondContact O-CB 3.37Å; D228-L232 VanDerWaalsContact O-CG 3.31Å; D228-L232 WeakPolarHBondContact O-CG 3.45Å; D228-L232 PolarHBondContact O-N 2.88Å; F229-L232 PolarHBondContact O-N 3.45Å; Y230-L232 PolarHBondContact O-N 3.37Å; L232-Y236 HydrophobicContact CD2-CD2 3.63Å; L232-Y236 HydrophobicContact CD2-CE2 3.86Å; L232-Y236 CarbonylContact O-C 3.54Å; L232-Y236 WeakPolarHBondContact O-CA 3.33Å; L232-Y236 WeakPolarHBondContact O-CB 3.27Å; L232-Y236 PolarHBondContact O-N 2.83Å; L232-G237 PolarHBondContact O-N 3.15Å; L232-C238 HydrophobicContact CB-CB 3.71Å; L232-C238 WeakPolarHBondContact O-CB 3.49Å; L232-C238 PolarHBondContact O-N 3.06Å
233	F	97.8	Very high	96.8	Very high	22 Å²	22	32.9 Å²	32.9	10%	0.096	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-51.9	172.4	171	-105.6	0	0	0	110.8	F229 Y230 G237 C238 R239 I258 T262 E264 V266	F229-F233 WeakPolarHBondContact O-CB 3.34Å; F229-F233 PolarHBondContact O-N 3.38Å; Y230-F233 WeakPolarHBondContact O-CB 3.19Å; Y230-F233 PolarHBondContact O-N 2.82Å; F233-G237 VanDerWaalsContact O-CA 3.23Å; F233-G237 WeakPolarHBondContact O-CA 3.48Å; F233-G237 PolarHBondContact O-N 3.46Å; F233-C238 WeakPolarHBondContact CA-O 3.48Å; F233-C238 WeakPolarHBondContact CB-O 3.37Å; F233-C238 WeakPolarHBondContact CD2-O 3.49Å; F233-R239 HydrophobicContact CD2-CG 4.34Å; F233-R239 HydrophobicContact CE2-CG 4.3Å; F233-I258 HydrophobicContact CB-CD1 4.19Å; F233-I258 HydrophobicContact CD1-CG2 4.02Å; F233-I258 HydrophobicContact CE1-CG2 4.12Å; F233-I258 HydrophobicContact CG-CG2 4.3Å; F233-I258 HydrophobicContact CZ-CG2 4.47Å; F233-T262 HydrophobicContact CE1-CG2 4.14Å; F233-E264 HydrophobicContact CE2-CB 4.47Å; F233-E264 HydrophobicContact CZ-CB 3.86Å; F233-E264 HydrophobicContact CZ-CG 4.04Å; F233-V266 HydrophobicContact CD2-CG1 3.86Å; F233-V266 HydrophobicContact CE2-CG1 4.11Å
234	Q	96.7	Very high	96.7	Very high	100 Å²	100	33.2 Å²	33.2	47%	0.467	15%	0.153	S	C	.	.	H	α-helix	trans	-66.7	-39.3	-178.6	-70.8	-67.5	-43.2	0	0	113.4	Y230 Y231	Y230-Q234 HydrophobicContact CD2-CG 4.11Å; Y230-Q234 HydrophobicContact CE1-CG 4.09Å; Y230-Q234 HydrophobicContact CE2-CG 3.65Å; Y230-Q234 WeakPolarHBondContact O-CB 3.36Å; Y230-Q234 WeakPolarHBondContact O-CG 3.31Å; Y230-Q234 PolarHBondContact O-N 2.71Å; Y231-Q234 PolarHBondContact O-N 3.33Å
235	R	96.9	Very high	96.4	Very high	178 Å²	178	33.7 Å²	33.7	67%	0.672	16%	0.157	S	C	*	.	H	α-helix	trans	-92.9	-28.7	-172	-66.1	-65	-170.9	159.4	-1.3	114.4	Y231	Y231-R235 HydrophobicContact CD1-CG 4.24Å; Y231-R235 HydrophobicContact CD2-CG 4.49Å; Y231-R235 HydrophobicContact CE1-CB 4.34Å; Y231-R235 HydrophobicContact CE1-CG 3.89Å; Y231-R235 HydrophobicContact CE2-CG 4.16Å; Y231-R235 WeakPolarHBondContact O-CB 3.21Å; Y231-R235 WeakPolarHBondContact O-CG 3.37Å; Y231-R235 PolarHBondContact O-N 2.92Å
236	Y	97	Very high	95.9	Very high	102 Å²	102	35.2 Å²	35.2	40%	0.4	17%	0.166	S	C	.	.	H	α-helix	trans	-128.1	5.6	-172.1	-59.2	-89.1	0	0	0	113.2	T75 I109 L171 Y231 L232 C238	T75-Y236 WeakPolarHBondContact CB-O 3.42Å; T75-Y236 PolarHBondContact OG1-O 3.47Å; T75-Y236 VanDerWaalsContact OG1-O 3.11Å; I109-Y236 HydrophobicContact CD1-CD1 4.39Å; I109-Y236 HydrophobicContact CD1-CD2 4.49Å; I109-Y236 HydrophobicContact CD1-CG 4.07Å; L171-Y236 HydrophobicContact CD1-CD2 4.32Å; L171-Y236 HydrophobicContact CD1-CE1 4.21Å; L171-Y236 HydrophobicContact CD1-CE2 3.66Å; Y231-Y236 HydrophobicContact CE1-CE2 4.38Å; L232-Y236 HydrophobicContact CD2-CD2 3.63Å; L232-Y236 HydrophobicContact CD2-CE2 3.86Å; L232-Y236 CarbonylContact O-C 3.54Å; L232-Y236 WeakPolarHBondContact O-CA 3.33Å; L232-Y236 WeakPolarHBondContact O-CB 3.27Å; L232-Y236 PolarHBondContact O-N 2.83Å; Y236-C238 PolarHBondContact O-N 3.22Å
237	G	95.7	Very high	95.7	Very high	39 Å²	39	36.6 Å²	36.6	40%	0.402	17%	0.173	S	C	.	.			trans	61.3	26.6	-174.9	0	0	0	0	0	112.5	L232 F233 R239	L232-G237 PolarHBondContact O-N 3.15Å; F233-G237 VanDerWaalsContact O-CA 3.23Å; F233-G237 WeakPolarHBondContact O-CA 3.48Å; F233-G237 PolarHBondContact O-N 3.46Å; G237-R239 PolarHBondContact O-N 3.49Å
238	C	97.4	Very high	95.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	112.9	-177.7	-171.7	0	0	0	0	110.9	T75 Y77 L232 F233 Y236	T75-C238 HydrophobicContact CG2-CB 3.85Å; T75-C238 WeakPolarHBondContact O-CA 3.31Å; T75-C238 PolarHBondContact O-SG 2.98Å; Y77-C238 VanDerWaalsContact CD1-SG 3.52Å; L232-C238 HydrophobicContact CB-CB 3.71Å; L232-C238 WeakPolarHBondContact O-CB 3.49Å; L232-C238 PolarHBondContact O-N 3.06Å; F233-C238 WeakPolarHBondContact CA-O 3.48Å; F233-C238 WeakPolarHBondContact CB-O 3.37Å; F233-C238 WeakPolarHBondContact CD2-O 3.49Å; Y236-C238 PolarHBondContact O-N 3.22Å
239	R	95.8	Very high	95	Very high	60 Å²	60	38.8 Å²	38.8	23%	0.226	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-7	-177.5	-72.1	-172.7	175.8	-90.7	4.7	113.9	L64 T75 F233 G237 E264 D265 V266 F267	L64-R239 HydrophobicContact CD2-CB 4.1Å; T75-R239 PolarHBondContact O-N 3.49Å; T75-R239 VanDerWaalsContact O-N 3.1Å; F233-R239 HydrophobicContact CD2-CG 4.34Å; F233-R239 HydrophobicContact CE2-CG 4.3Å; G237-R239 PolarHBondContact O-N 3.49Å; R239-E264 IonicContact CZ-OE2 3.64Å; R239-E264 IonicContact NH1-OE2 3.26Å; R239-E264 PolarHBondContact NH1-OE2 3.41Å; R239-E264 IonicContact NH2-OE2 3.11Å; R239-E264 PolarHBondContact NH2-OE2 2.69Å; R239-D265 PolarHBondContact NH1-O 3.04Å; R239-V266 CarbonylContact O-C 3.49Å; R239-V266 WeakPolarHBondContact O-CA 3.37Å; R239-V266 WeakPolarHBondContact O-CB 3.45Å; R239-F267 PolarHBondContact O-N 3.15Å
240	V	96.9	Very high	94.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.5	-179.4	-171.7	0	0	0	0	111.5	L64 F65 T75 I76 Y77 F267 I269	L64-V240 HydrophobicContact CD2-CG2 3.88Å; F65-V240 HydrophobicContact CE2-CG2 4.14Å; F65-V240 HydrophobicContact CZ-CG2 3.99Å; T75-V240 PolarHBondContact O-N 2.93Å; I76-V240 CarbonylContact C-O 3.58Å; I76-V240 VanDerWaalsContact CA-O 3.31Å; I76-V240 WeakPolarHBondContact CA-O 3.5Å; I76-V240 HydrophobicContact CB-CB 4.21Å; I76-V240 HydrophobicContact CG1-CB 3.71Å; I76-V240 HydrophobicContact CG1-CG1 4.33Å; I76-V240 HydrophobicContact CG1-CG2 4.12Å; I76-V240 HydrophobicContact CG2-CB 3.96Å; I76-V240 HydrophobicContact CG2-CG1 4.01Å; Y77-V240 PolarHBondContact N-O 3.06Å; V240-F267 CarbonylContact C-O 3.55Å; V240-F267 VanDerWaalsContact CA-O 3.27Å; V240-F267 WeakPolarHBondContact CA-O 3.16Å; V240-F267 HydrophobicContact CG2-CB 4.34Å; V240-I269 HydrophobicContact CG1-CD1 3.71Å; V240-I269 HydrophobicContact CG1-CG1 3.75Å
241	Q	98.2	Very high	94.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.4	167.5	-171.8	175.8	159.8	0	0	109.7	Y77 F229 I251 F267 G268 I269	Y77-Q241 HydrophobicContact CD1-CB 4.04Å; Y77-Q241 HydrophobicContact CD1-CG 4.06Å; Y77-Q241 HydrophobicContact CE1-CB 3.5Å; Y77-Q241 HydrophobicContact CE1-CG 3.4Å; Y77-Q241 HydrophobicContact CE2-CG 4.23Å; Y77-Q241 VanDerWaalsContact CZ-CD 3.46Å; Y77-Q241 PolarHBondContact OH-NE2 3.07Å; Y77-Q241 PolarHBondContact OH-OE1 3.35Å; F229-Q241 HydrophobicContact CD1-CB 4.04Å; F229-Q241 HydrophobicContact CE1-CB 3.63Å; F229-Q241 HydrophobicContact CE2-CB 4.41Å; F229-Q241 HydrophobicContact CZ-CB 3.84Å; Q241-I251 HydrophobicContact CB-CG1 4.48Å; Q241-I251 HydrophobicContact CB-CG2 4.3Å; Q241-I251 HydrophobicContact CG-CG1 3.94Å; Q241-F267 PolarHBondContact N-O 2.66Å; Q241-G268 CarbonylContact O-C 3.58Å; Q241-G268 WeakPolarHBondContact O-CA 3.21Å; Q241-I269 PolarHBondContact O-N 3.44Å
242	L	97.7	Very high	94.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.5	170.7	-173.7	112.5	0	0	0	109.3	F48 I76 Y77 C78 A94 L98 I269 V271	F48-L242 HydrophobicContact CD1-CD1 4.28Å; F48-L242 HydrophobicContact CE1-CD1 3.65Å; F48-L242 HydrophobicContact CZ-CD1 4.16Å; I76-L242 HydrophobicContact CG2-CB 4.16Å; Y77-L242 PolarHBondContact O-N 3.39Å; C78-L242 WeakPolarHBondContact CA-O 3.27Å; C78-L242 HydrophobicContact CB-CB 4.35Å; C78-L242 HydrophobicContact CB-CD2 4.21Å; C78-L242 WeakPolarHBondContact CB-O 3.46Å; C78-L242 PolarHBondContact SG-O 3.3Å; A94-L242 HydrophobicContact CB-CD2 4.12Å; A94-L242 WeakPolarHBondContact O-CD2 3.46Å; L98-L242 HydrophobicContact CD2-CB 4.36Å; L98-L242 HydrophobicContact CD2-CD2 4.2Å; L98-L242 HydrophobicContact CG-CD2 4.16Å; L242-I269 VanDerWaalsContact CA-O 3.28Å; L242-I269 WeakPolarHBondContact CA-O 3.12Å; L242-I269 HydrophobicContact CD1-CB 4.07Å; L242-I269 HydrophobicContact CD1-CG2 3.87Å; L242-V271 HydrophobicContact CD1-CG1 4.14Å; L242-V271 HydrophobicContact CD2-CG1 4.28Å; L242-V271 HydrophobicContact CG-CG1 4.3Å
243	G	95.2	Very high	94.1	Very high	5 Å²	5	36 Å²	36	5%	0.052	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	173.9	175.8	0	0	0	0	0	113.4	I269 T270 V271	G243-I269 PolarHBondContact N-O 3.03Å; G243-T270 CarbonylContact O-C 3.47Å; G243-T270 VanDerWaalsContact O-CA 3.23Å; G243-T270 WeakPolarHBondContact O-CA 3.49Å; G243-V271 PolarHBondContact O-N 2.89Å
244	G	91.9	Very high	94	Very high	15 Å²	15	34.9 Å²	34.9	16%	0.155	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	158.5	170.4	0	0	0	0	0	111.6	D246 Q247	G244-D246 PolarHBondContact O-N 3.38Å; G244-D246 VanDerWaalsContact O-N 3.13Å; G244-Q247 VanDerWaalsContact O-CB 3.32Å; G244-Q247 WeakPolarHBondContact O-CB 3.45Å; G244-Q247 PolarHBondContact O-N 3.3Å
245	S	87.3	Confident	93.8	Very high	28 Å²	28	31.8 Å²	31.8	20%	0.196	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.8	-20.3	177.5	62.5	0	0	0	0	113.9	Q247 V271 L273	S245-Q247 VanDerWaalsContact C-N 3.26Å; S245-V271 PolarHBondContact N-O 2.94Å; S245-L273 WeakPolarHBondContact OG-CG 3.4Å
246	D	86.8	Confident	93.6	Very high	46 Å²	46	26.7 Å²	26.7	25%	0.246	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-71.8	-16	170.2	46.5	-4.9	0	0	0	113.8	S123 G244 L273 K281	S123-D246 WeakPolarHBondContact CB-O 3.36Å; G244-D246 PolarHBondContact O-N 3.38Å; G244-D246 VanDerWaalsContact O-N 3.13Å; D246-L273 HydrophobicContact CB-CD1 4.09Å; D246-K281 IonicContact OD2-NZ 2.71Å; D246-K281 PolarHBondContact OD2-NZ 2.98Å
247	Q	91	Very high	93.5	Very high	30 Å²	30	22 Å²	22	14%	0.14	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-89.9	-1.9	179.8	-63.4	-59.7	-51.3	0	0	114.3	D121 G244 S245 G249 N250 I251	D121-Q247 PolarHBondContact OD2-NE2 3.15Å; D121-Q247 PolarHBondContact OD2-OE1 2.83Å; G244-Q247 VanDerWaalsContact O-CB 3.32Å; G244-Q247 WeakPolarHBondContact O-CB 3.45Å; G244-Q247 PolarHBondContact O-N 3.3Å; S245-Q247 VanDerWaalsContact C-N 3.26Å; Q247-G249 VanDerWaalsContact C-N 3.27Å; Q247-G249 PolarHBondContact O-N 3.22Å; Q247-N250 PolarHBondContact O-N 2.93Å; Q247-N250 PolarHBondContact OE1-ND2 3.39Å; Q247-I251 HydrophobicContact CB-CD1 4.1Å; Q247-I251 HydrophobicContact CB-CG1 4.41Å; Q247-I251 WeakPolarHBondContact O-CG1 3.45Å; Q247-I251 PolarHBondContact O-N 2.98Å
248	L	90.3	Very high	93.5	Very high	58 Å²	58	20.1 Å²	20.1	30%	0.304	11%	0.107	S	C	.	.	H	α-helix	trans	-54	-43	-173.4	-178.8	60.8	0	0	0	112.3	F52 N250 I251 M252 T270	F52-L248 HydrophobicContact CB-CD1 4.37Å; L248-N250 VanDerWaalsContact C-N 3.33Å; L248-N250 PolarHBondContact O-N 3.25Å; L248-I251 PolarHBondContact O-N 2.6Å; L248-M252 HydrophobicContact CD1-CG 4.25Å; L248-M252 HydrophobicContact CG-CG 4.38Å; L248-M252 HydrophobicContact CG-SD 4.11Å; L248-M252 WeakPolarHBondContact O-CG 3.49Å; L248-M252 PolarHBondContact O-N 3.24Å; L248-T270 HydrophobicContact CB-CG2 4.34Å; L248-T270 HydrophobicContact CD1-CG2 4.09Å
249	G	90.3	Very high	93.3	Very high	17 Å²	17	22.9 Å²	22.9	18%	0.175	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-39.7	178.6	0	0	0	0	0	113.7	Q247 S253	Q247-G249 VanDerWaalsContact C-N 3.27Å; Q247-G249 PolarHBondContact O-N 3.22Å; G249-S253 PolarHBondContact O-N 3.08Å; G249-S253 VanDerWaalsContact O-N 3.16Å; G249-S253 PolarHBondContact O-OG 3.06Å
250	N	93	Very high	93.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-75.2	-36.8	178.5	-62	-24.1	0	0	0	111.7	D121 S123 Q222 Q225 Q247 L248 M252 S253 G254	D121-N250 PolarHBondContact OD1-ND2 2.9Å; S123-N250 PolarHBondContact OG-ND2 3.48Å; Q222-N250 WeakPolarHBondContact CB-OD1 3.3Å; Q225-N250 HydrophobicContact CG-CB 4.25Å; Q225-N250 PolarHBondContact OE1-ND2 3.3Å; Q247-N250 PolarHBondContact O-N 2.93Å; Q247-N250 PolarHBondContact OE1-ND2 3.39Å; L248-N250 VanDerWaalsContact C-N 3.33Å; L248-N250 PolarHBondContact O-N 3.25Å; N250-M252 VanDerWaalsContact C-N 3.33Å; N250-M252 PolarHBondContact O-N 2.83Å; N250-S253 PolarHBondContact O-N 2.83Å; N250-G254 PolarHBondContact O-N 3.27Å; N250-G254 VanDerWaalsContact O-N 3.09Å
251	I	94.6	Very high	93	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-44.9	173.4	-65.9	166.3	0	0	0	110.4	Q241 Q247 L248 S253 G254 Y255 T270	Q241-I251 HydrophobicContact CB-CG1 4.48Å; Q241-I251 HydrophobicContact CB-CG2 4.3Å; Q241-I251 HydrophobicContact CG-CG1 3.94Å; Q247-I251 HydrophobicContact CB-CD1 4.1Å; Q247-I251 HydrophobicContact CB-CG1 4.41Å; Q247-I251 WeakPolarHBondContact O-CG1 3.45Å; Q247-I251 PolarHBondContact O-N 2.98Å; L248-I251 PolarHBondContact O-N 2.6Å; I251-S253 PolarHBondContact O-N 2.72Å; I251-G254 PolarHBondContact O-N 2.84Å; I251-G254 VanDerWaalsContact O-N 3.17Å; I251-Y255 PolarHBondContact O-N 2.98Å; I251-T270 HydrophobicContact CD1-CG2 4.38Å
252	M	92.1	Very high	92.8	Very high	46 Å²	46	29.5 Å²	29.5	23%	0.227	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-43.4	176.2	-68.8	172.3	80.9	0	0	111.8	F52 L248 N250 G254 Y255 E256	F52-M252 HydrophobicContact CD1-CG 4.13Å; F52-M252 HydrophobicContact CD2-CE 4.48Å; F52-M252 HydrophobicContact CD2-CG 3.99Å; F52-M252 HydrophobicContact CE1-CB 4.17Å; F52-M252 HydrophobicContact CE1-CG 3.86Å; F52-M252 HydrophobicContact CE2-CE 3.69Å; F52-M252 HydrophobicContact CE2-CG 3.77Å; F52-M252 HydrophobicContact CE2-SD 4.35Å; F52-M252 HydrophobicContact CG-CG 4.19Å; F52-M252 HydrophobicContact CZ-CB 4.17Å; F52-M252 HydrophobicContact CZ-CE 4Å; F52-M252 HydrophobicContact CZ-CG 3.71Å; L248-M252 HydrophobicContact CD1-CG 4.25Å; L248-M252 HydrophobicContact CG-CG 4.38Å; L248-M252 HydrophobicContact CG-SD 4.11Å; L248-M252 WeakPolarHBondContact O-CG 3.49Å; L248-M252 PolarHBondContact O-N 3.24Å; N250-M252 VanDerWaalsContact C-N 3.33Å; N250-M252 PolarHBondContact O-N 2.83Å; M252-G254 VanDerWaalsContact C-N 3.26Å; M252-G254 PolarHBondContact O-N 3.27Å; M252-Y255 PolarHBondContact O-N 3.13Å; M252-E256 WeakPolarHBondContact O-CG 3.43Å; M252-E256 PolarHBondContact O-N 3.37Å
253	S	93.3	Very high	92.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-36.2	176.1	-65.7	0	0	0	0	112.3	R201 G249 N250 I251 F257	R201-S253 PolarHBondContact NE-OG 3.11Å; R201-S253 PolarHBondContact NH2-OG 3.16Å; G249-S253 PolarHBondContact O-N 3.08Å; G249-S253 VanDerWaalsContact O-N 3.16Å; G249-S253 PolarHBondContact O-OG 3.06Å; N250-S253 PolarHBondContact O-N 2.83Å; I251-S253 PolarHBondContact O-N 2.72Å; S253-F257 WeakPolarHBondContact O-CB 3.36Å; S253-F257 PolarHBondContact O-N 2.73Å; S253-F257 VanDerWaalsContact O-N 3.09Å
254	G	95.3	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-45.3	173.6	0	0	0	0	0	113.3	N250 I251 M252 F257 I258	N250-G254 PolarHBondContact O-N 3.27Å; N250-G254 VanDerWaalsContact O-N 3.09Å; I251-G254 PolarHBondContact O-N 2.84Å; I251-G254 VanDerWaalsContact O-N 3.17Å; M252-G254 VanDerWaalsContact C-N 3.26Å; M252-G254 PolarHBondContact O-N 3.27Å; G254-F257 PolarHBondContact O-N 2.99Å; G254-I258 WeakPolarHBondContact O-CG1 3.11Å; G254-I258 PolarHBondContact O-N 3.21Å
255	Y	94.1	Very high	92.2	Very high	35 Å²	35	37.8 Å²	37.8	14%	0.137	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-53.2	174.7	166.2	-96.9	0	0	0	112.4	F52 P53 I251 M252 F257 I258 N259 D265 V266	F52-Y255 HydrophobicContact CD1-CD1 4.47Å; F52-Y255 HydrophobicContact CD1-CG 4.25Å; F52-Y255 AromaticContact CE1-CD1 3.39Å; F52-Y255 HydrophobicContact CE1-CD1 3.39Å; F52-Y255 HydrophobicContact CE1-CD2 4.36Å; F52-Y255 HydrophobicContact CE1-CE1 4.11Å; F52-Y255 AromaticContact CE1-CG 3.52Å; F52-Y255 HydrophobicContact CE1-CG 3.52Å; F52-Y255 AromaticContact CZ-CD1 3.84Å; F52-Y255 HydrophobicContact CZ-CD1 3.84Å; F52-Y255 HydrophobicContact CZ-CE1 4.27Å; F52-Y255 HydrophobicContact CZ-CG 4.42Å; P53-Y255 HydrophobicContact CB-CE1 4.21Å; P53-Y255 HydrophobicContact CB-CE2 4.24Å; P53-Y255 HydrophobicContact CG-CD2 4.35Å; P53-Y255 HydrophobicContact CG-CE1 4.42Å; P53-Y255 HydrophobicContact CG-CE2 3.59Å; I251-Y255 PolarHBondContact O-N 2.98Å; M252-Y255 PolarHBondContact O-N 3.13Å; Y255-F257 PolarHBondContact O-N 3.3Å; Y255-I258 PolarHBondContact O-N 2.84Å; Y255-N259 WeakPolarHBondContact O-CB 3.46Å; Y255-N259 PolarHBondContact O-N 3.38Å; Y255-D265 HydrophobicContact CE2-CB 4.49Å; Y255-D265 PolarHBondContact OH-OD1 2.9Å; Y255-V266 HydrophobicContact CD2-CG2 3.81Å; Y255-V266 WeakPolarHBondContact CD2-O 3.23Å; Y255-V266 WeakPolarHBondContact CE2-O 3.32Å; Y255-V266 HydrophobicContact CG-CG2 4.45Å
256	E	92.6	Very high	92.6	Very high	70 Å²	70	36.4 Å²	36.4	33%	0.327	20%	0.2	S	C	.	.	H	α-helix	trans	-59.2	-38.2	-178.3	-72.6	169.1	-159.2	0	0	111	R201 M252 K260	R201-E256 IonicContact CZ-OE1 3.95Å; R201-E256 IonicContact NH1-OE1 2.85Å; R201-E256 PolarHBondContact NH1-OE1 2.86Å; R201-E256 IonicContact NH2-OE1 3.14Å; R201-E256 PolarHBondContact NH2-OE1 3.2Å; R201-E256 IonicContact NH2-OE2 3.31Å; R201-E256 PolarHBondContact NH2-OE2 3.45Å; M252-E256 WeakPolarHBondContact O-CG 3.43Å; M252-E256 PolarHBondContact O-N 3.37Å; E256-K260 WeakPolarHBondContact O-CB 3.25Å; E256-K260 PolarHBondContact O-N 2.98Å
257	F	94.9	Very high	93	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-48	177.2	179.5	-120.3	0	0	0	112.4	V189 H192 F193 A226 Y227 Y230 S253 G254 Y255 L261	V189-F257 HydrophobicContact CB-CZ 4.41Å; V189-F257 HydrophobicContact CG1-CE2 3.86Å; V189-F257 HydrophobicContact CG1-CZ 3.7Å; V189-F257 HydrophobicContact CG2-CZ 4.25Å; H192-F257 HydrophobicContact CB-CD2 3.75Å; H192-F257 HydrophobicContact CB-CE2 3.69Å; F193-F257 HydrophobicContact CD2-CD2 4.36Å; F193-F257 HydrophobicContact CE1-CB 4.02Å; F193-F257 HydrophobicContact CE1-CD2 4.24Å; F193-F257 HydrophobicContact CE1-CG 4.24Å; F193-F257 AromaticContact CE2-CD2 3.52Å; F193-F257 HydrophobicContact CE2-CD2 3.52Å; F193-F257 AromaticContact CE2-CE2 3.67Å; F193-F257 HydrophobicContact CE2-CE2 3.67Å; F193-F257 HydrophobicContact CE2-CG 4.05Å; F193-F257 HydrophobicContact CE2-CZ 4.3Å; F193-F257 HydrophobicContact CZ-CB 3.8Å; F193-F257 HydrophobicContact CZ-CD1 4.13Å; F193-F257 AromaticContact CZ-CD2 3.47Å; F193-F257 HydrophobicContact CZ-CD2 3.47Å; F193-F257 VanDerWaalsContact CZ-CD2 3.47Å; F193-F257 HydrophobicContact CZ-CE2 4.04Å; F193-F257 AromaticContact CZ-CG 3.53Å; F193-F257 HydrophobicContact CZ-CG 3.53Å; A226-F257 HydrophobicContact CB-CB 4.31Å; A226-F257 HydrophobicContact CB-CD1 4.49Å; Y227-F257 HydrophobicContact CD2-CE1 4.19Å; Y227-F257 HydrophobicContact CD2-CZ 4.37Å; Y230-F257 HydrophobicContact CD1-CE1 4.04Å; Y230-F257 HydrophobicContact CD2-CE1 4.4Å; Y230-F257 HydrophobicContact CG-CD1 4.32Å; Y230-F257 AromaticContact CG-CE1 3.73Å; Y230-F257 HydrophobicContact CG-CE1 3.73Å; S253-F257 WeakPolarHBondContact O-CB 3.36Å; S253-F257 PolarHBondContact O-N 2.73Å; S253-F257 VanDerWaalsContact O-N 3.09Å; G254-F257 PolarHBondContact O-N 2.99Å; Y255-F257 PolarHBondContact O-N 3.3Å; F257-L261 HydrophobicContact CD1-CD1 4.3Å; F257-L261 HydrophobicContact CD2-CD1 3.99Å; F257-L261 HydrophobicContact CD2-CG 4.48Å; F257-L261 HydrophobicContact CE1-CD1 3.75Å; F257-L261 HydrophobicContact CE2-CD1 3.38Å; F257-L261 HydrophobicContact CE2-CG 4.12Å; F257-L261 HydrophobicContact CG-CD1 4.41Å; F257-L261 HydrophobicContact CZ-CD1 3.24Å; F257-L261 HydrophobicContact CZ-CG 4.42Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 PolarHBondContact O-N 2.88Å; F257-L261 VanDerWaalsContact O-N 3.12Å
258	I	95.6	Very high	93.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-49	179.3	-68.8	162.8	0	0	0	110.8	F229 Y230 F233 G254 Y255 K260 L261 T262 V266	F229-I258 HydrophobicContact CB-CD1 3.89Å; F229-I258 HydrophobicContact CD1-CD1 3.86Å; F229-I258 HydrophobicContact CD2-CD1 3.72Å; F229-I258 HydrophobicContact CE1-CD1 4.36Å; F229-I258 HydrophobicContact CE2-CD1 4.23Å; F229-I258 HydrophobicContact CG-CD1 3.53Å; Y230-I258 HydrophobicContact CD2-CG1 4.14Å; F233-I258 HydrophobicContact CB-CD1 4.19Å; F233-I258 HydrophobicContact CD1-CG2 4.02Å; F233-I258 HydrophobicContact CE1-CG2 4.12Å; F233-I258 HydrophobicContact CG-CG2 4.3Å; F233-I258 HydrophobicContact CZ-CG2 4.47Å; G254-I258 WeakPolarHBondContact O-CG1 3.11Å; G254-I258 PolarHBondContact O-N 3.21Å; Y255-I258 PolarHBondContact O-N 2.84Å; I258-K260 VanDerWaalsContact C-N 3.32Å; I258-K260 PolarHBondContact O-N 3.16Å; I258-L261 PolarHBondContact O-N 3.44Å; I258-L261 VanDerWaalsContact O-N 3.14Å; I258-T262 WeakPolarHBondContact O-CB 3.31Å; I258-T262 PolarHBondContact O-N 3.23Å; I258-T262 PolarHBondContact O-OG1 3.26Å; I258-V266 HydrophobicContact CB-CG2 4.22Å; I258-V266 HydrophobicContact CD1-CG1 4.17Å; I258-V266 HydrophobicContact CD1-CG2 3.84Å; I258-V266 HydrophobicContact CG2-CG1 3.9Å; I258-V266 HydrophobicContact CG2-CG2 4.34Å
259	N	93.3	Very high	93.4	Very high	57 Å²	57	30.5 Å²	30.5	31%	0.305	17%	0.17	S	C	.	.	H	α-helix	trans	-59.4	-44	179.9	177.9	-84.8	0	0	0	110.8	Y255 L261 T262 G263 E264 D265	Y255-N259 WeakPolarHBondContact O-CB 3.46Å; Y255-N259 PolarHBondContact O-N 3.38Å; N259-L261 VanDerWaalsContact C-N 3.31Å; N259-L261 PolarHBondContact O-N 3.19Å; N259-T262 PolarHBondContact O-N 3.27Å; N259-G263 VanDerWaalsContact O-CA 3.25Å; N259-G263 WeakPolarHBondContact O-CA 3.24Å; N259-G263 PolarHBondContact O-N 3.05Å; N259-E264 WeakPolarHBondContact CA-O 3.32Å; N259-D265 PolarHBondContact ND2-OD1 3.4Å
260	K	91.9	Very high	93.6	Very high	92 Å²	92	29.8 Å²	29.8	40%	0.4	16%	0.162	S	C	.	.	H	α-helix	trans	-64.8	-32.3	177.6	-176.4	173.1	175.8	-177.2	0	113.8	H192 E256 I258	H192-K260 HydrophobicContact CB-CD 4.41Å; H192-K260 PolarHBondContact O-NZ 3.27Å; E256-K260 WeakPolarHBondContact O-CB 3.25Å; E256-K260 PolarHBondContact O-N 2.98Å; I258-K260 VanDerWaalsContact C-N 3.32Å; I258-K260 PolarHBondContact O-N 3.16Å
261	L	92.9	Very high	93.7	Very high	60 Å²	60	29.9 Å²	29.9	31%	0.314	16%	0.162	S	C	.	.	H	α-helix	trans	-82.8	-34.7	-179.7	-86.1	175.3	0	0	0	113.4	H192 Y230 F257 I258 N259	H192-L261 WeakPolarHBondContact CE1-CD2 3.44Å; Y230-L261 HydrophobicContact CD2-CD1 4.06Å; Y230-L261 HydrophobicContact CE2-CB 4.49Å; Y230-L261 HydrophobicContact CE2-CD1 3.88Å; Y230-L261 HydrophobicContact CG-CD1 4.47Å; F257-L261 HydrophobicContact CD1-CD1 4.3Å; F257-L261 HydrophobicContact CD2-CD1 3.99Å; F257-L261 HydrophobicContact CD2-CG 4.48Å; F257-L261 HydrophobicContact CE1-CD1 3.75Å; F257-L261 HydrophobicContact CE2-CD1 3.38Å; F257-L261 HydrophobicContact CE2-CG 4.12Å; F257-L261 HydrophobicContact CG-CD1 4.41Å; F257-L261 HydrophobicContact CZ-CD1 3.24Å; F257-L261 HydrophobicContact CZ-CG 4.42Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 PolarHBondContact O-N 2.88Å; F257-L261 VanDerWaalsContact O-N 3.12Å; I258-L261 PolarHBondContact O-N 3.44Å; I258-L261 VanDerWaalsContact O-N 3.14Å; N259-L261 VanDerWaalsContact C-N 3.31Å; N259-L261 PolarHBondContact O-N 3.19Å
262	T	93.8	Very high	93.4	Very high	49 Å²	49	30.7 Å²	30.7	30%	0.301	17%	0.168	S	C	.	.	H	α-helix	trans	-123.7	-16.9	-164	65.5	0	0	0	0	113.6	Y230 F233 I258 N259 E264	Y230-T262 HydrophobicContact CE2-CG2 4.06Å; F233-T262 HydrophobicContact CE1-CG2 4.14Å; I258-T262 WeakPolarHBondContact O-CB 3.31Å; I258-T262 PolarHBondContact O-N 3.23Å; I258-T262 PolarHBondContact O-OG1 3.26Å; N259-T262 PolarHBondContact O-N 3.27Å; T262-E264 PolarHBondContact O-N 2.56Å; T262-E264 WeakPolarHBondContact OG1-CB 3.48Å; T262-E264 PolarHBondContact OG1-N 3.42Å
263	G	92.3	Very high	93	Very high	58 Å²	58	31.7 Å²	31.7	60%	0.598	17%	0.174	S	C	*	.	S	Bend	trans	71.9	2.2	-170.4	0	0	0	0	0	114	N259	N259-G263 VanDerWaalsContact O-CA 3.25Å; N259-G263 WeakPolarHBondContact O-CA 3.24Å; N259-G263 PolarHBondContact O-N 3.05Å
264	E	91.4	Very high	92.2	Very high	85 Å²	85	32.1 Å²	32.1	40%	0.397	18%	0.176	S	C	.	.			trans	-92.2	143.6	-177.2	-70	-91.5	178.2	0	0	111.7	F233 R239 N259 T262	F233-E264 HydrophobicContact CE2-CB 4.47Å; F233-E264 HydrophobicContact CZ-CB 3.86Å; F233-E264 HydrophobicContact CZ-CG 4.04Å; R239-E264 IonicContact CZ-OE2 3.64Å; R239-E264 IonicContact NH1-OE2 3.26Å; R239-E264 PolarHBondContact NH1-OE2 3.41Å; R239-E264 IonicContact NH2-OE2 3.11Å; R239-E264 PolarHBondContact NH2-OE2 2.69Å; N259-E264 WeakPolarHBondContact CA-O 3.32Å; T262-E264 PolarHBondContact O-N 2.56Å; T262-E264 WeakPolarHBondContact OG1-CB 3.48Å; T262-E264 PolarHBondContact OG1-N 3.42Å
265	D	90.1	Very high	90.8	Very high	52 Å²	52	35.3 Å²	35.3	28%	0.278	20%	0.195	S	C	.	.			trans	-89.1	136.9	174.6	-66.9	-41.8	0	0	0	112	R239 Y255 N259 F267	R239-D265 PolarHBondContact NH1-O 3.04Å; Y255-D265 HydrophobicContact CE2-CB 4.49Å; Y255-D265 PolarHBondContact OH-OD1 2.9Å; N259-D265 PolarHBondContact ND2-OD1 3.4Å; D265-F267 HydrophobicContact CB-CZ 4.35Å
266	V	94.2	Very high	89.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.			trans	-130	166.7	172.4	-62.5	0	0	0	0	108.8	P53 F229 F233 R239 Y255 I258	P53-V266 WeakPolarHBondContact CD-O 3.38Å; F229-V266 HydrophobicContact CD1-CG2 4.38Å; F229-V266 HydrophobicContact CE1-CB 4.15Å; F229-V266 HydrophobicContact CE1-CG2 3.67Å; F229-V266 HydrophobicContact CE2-CB 4.24Å; F229-V266 HydrophobicContact CE2-CG2 4.45Å; F229-V266 HydrophobicContact CZ-CB 3.66Å; F229-V266 HydrophobicContact CZ-CG1 4.39Å; F229-V266 HydrophobicContact CZ-CG2 3.72Å; F233-V266 HydrophobicContact CD2-CG1 3.86Å; F233-V266 HydrophobicContact CE2-CG1 4.11Å; R239-V266 CarbonylContact O-C 3.49Å; R239-V266 WeakPolarHBondContact O-CA 3.37Å; R239-V266 WeakPolarHBondContact O-CB 3.45Å; Y255-V266 HydrophobicContact CD2-CG2 3.81Å; Y255-V266 WeakPolarHBondContact CD2-O 3.23Å; Y255-V266 WeakPolarHBondContact CE2-O 3.32Å; Y255-V266 HydrophobicContact CG-CG2 4.45Å; I258-V266 HydrophobicContact CB-CG2 4.22Å; I258-V266 HydrophobicContact CD1-CG1 4.17Å; I258-V266 HydrophobicContact CD1-CG2 3.84Å; I258-V266 HydrophobicContact CG2-CG1 3.9Å; I258-V266 HydrophobicContact CG2-CG2 4.34Å
267	F	95.3	Very high	87.5	Confident	9 Å²	9	36.9 Å²	36.9	4%	0.039	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.2	-168.8	-57.6	-89.9	0	0	0	113	F52 P53 E60 L61 L64 R239 V240 Q241 D265	F52-F267 CarbonylContact O-C 3.53Å; F52-F267 WeakPolarHBondContact O-CA 3.46Å; F52-F267 WeakPolarHBondContact O-CB 3.15Å; P53-F267 HydrophobicContact CG-CE1 4.5Å; E60-F267 HydrophobicContact CB-CE1 4.22Å; E60-F267 HydrophobicContact CB-CZ 3.8Å; L61-F267 HydrophobicContact CB-CD1 3.91Å; L61-F267 HydrophobicContact CB-CE1 4.03Å; L61-F267 HydrophobicContact CB-CG 4.41Å; L61-F267 HydrophobicContact CD1-CB 3.64Å; L61-F267 HydrophobicContact CD1-CD1 3.93Å; L61-F267 HydrophobicContact CD1-CD2 3.99Å; L61-F267 HydrophobicContact CD1-CG 3.57Å; L61-F267 HydrophobicContact CG-CD1 4.35Å; L61-F267 HydrophobicContact CG-CG 4.46Å; L64-F267 HydrophobicContact CD2-CD2 3.66Å; L64-F267 HydrophobicContact CD2-CE2 3.9Å; R239-F267 PolarHBondContact O-N 3.15Å; V240-F267 CarbonylContact C-O 3.55Å; V240-F267 VanDerWaalsContact CA-O 3.27Å; V240-F267 WeakPolarHBondContact CA-O 3.16Å; V240-F267 HydrophobicContact CG2-CB 4.34Å; Q241-F267 PolarHBondContact N-O 2.66Å; D265-F267 HydrophobicContact CB-CZ 4.35Å
268	G	95.7	Very high	85.5	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.8	172.5	0	0	0	0	0	110.9	F51 F52 Q241	F51-G268 CarbonylContact C-O 3.59Å; F51-G268 WeakPolarHBondContact CA-O 3.19Å; F52-G268 PolarHBondContact N-O 3.49Å; F52-G268 PolarHBondContact O-N 3.48Å; Q241-G268 CarbonylContact O-C 3.58Å; Q241-G268 WeakPolarHBondContact O-CA 3.21Å
269	I	95.4	Very high	83.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.5	169.4	-57.4	-179.1	0	0	0	108.2	L39 F48 F51 F65 V240 Q241 L242 G243	L39-I269 HydrophobicContact CD2-CD1 4.27Å; F48-I269 HydrophobicContact CB-CG2 3.99Å; F48-I269 HydrophobicContact CD1-CG2 3.71Å; F48-I269 HydrophobicContact CD2-CD1 4.48Å; F48-I269 HydrophobicContact CD2-CG2 3.86Å; F48-I269 HydrophobicContact CE1-CG2 4.13Å; F48-I269 HydrophobicContact CE2-CD1 4.23Å; F48-I269 HydrophobicContact CE2-CG2 4.26Å; F48-I269 HydrophobicContact CG-CG2 3.59Å; F48-I269 HydrophobicContact CZ-CG2 4.39Å; F51-I269 HydrophobicContact CD1-CD1 4.35Å; F51-I269 HydrophobicContact CD1-CG1 3.85Å; F51-I269 HydrophobicContact CD1-CG2 4.33Å; F51-I269 HydrophobicContact CE1-CD1 4.1Å; F51-I269 HydrophobicContact CE1-CG1 4Å; F51-I269 HydrophobicContact CE1-CG2 3.98Å; F65-I269 HydrophobicContact CE2-CD1 4.25Å; F65-I269 HydrophobicContact CZ-CD1 4.19Å; V240-I269 HydrophobicContact CG1-CD1 3.71Å; V240-I269 HydrophobicContact CG1-CG1 3.75Å; Q241-I269 PolarHBondContact O-N 3.44Å; L242-I269 VanDerWaalsContact CA-O 3.28Å; L242-I269 WeakPolarHBondContact CA-O 3.12Å; L242-I269 HydrophobicContact CD1-CB 4.07Å; L242-I269 HydrophobicContact CD1-CG2 3.87Å; G243-I269 PolarHBondContact N-O 3.03Å
270	T	94.3	Very high	82	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.6	175.2	69.4	0	0	0	0	112	K49 D50 G243 L248 I251	K49-T270 PolarHBondContact N-O 3.03Å; D50-T270 WeakPolarHBondContact CA-OG1 3.34Å; D50-T270 HydrophobicContact CB-CG2 4.46Å; D50-T270 VanDerWaalsContact CB-OG1 3.25Å; D50-T270 WeakPolarHBondContact CB-OG1 3.47Å; D50-T270 PolarHBondContact N-OG1 2.8Å; D50-T270 PolarHBondContact O-N 3.4Å; D50-T270 PolarHBondContact O-OG1 3.39Å; D50-T270 PolarHBondContact OD2-OG1 3.43Å; G243-T270 CarbonylContact O-C 3.47Å; G243-T270 VanDerWaalsContact O-CA 3.23Å; G243-T270 WeakPolarHBondContact O-CA 3.49Å; L248-T270 HydrophobicContact CB-CG2 4.34Å; L248-T270 HydrophobicContact CD1-CG2 4.09Å; I251-T270 HydrophobicContact CD1-CG2 4.38Å
271	V	94.1	Very high	80.7	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	148.7	165.9	-56.7	0	0	0	0	109.9	L47 F48 L93 A94 L242 G243 S245	L47-V271 HydrophobicContact CD1-CG1 4.43Å; L47-V271 WeakPolarHBondContact O-CA 3.4Å; L47-V271 WeakPolarHBondContact O-CB 3.4Å; L47-V271 WeakPolarHBondContact O-CG1 2.96Å; F48-V271 HydrophobicContact CD1-CG1 4.4Å; L93-V271 HydrophobicContact CB-CG2 4.34Å; A94-V271 HydrophobicContact CB-CG2 4.25Å; L242-V271 HydrophobicContact CD1-CG1 4.14Å; L242-V271 HydrophobicContact CD2-CG1 4.28Å; L242-V271 HydrophobicContact CG-CG1 4.3Å; G243-V271 PolarHBondContact O-N 2.89Å; S245-V271 PolarHBondContact N-O 2.94Å
272	P	89.7	Confident	79.5	Confident	19 Å²	19	41.5 Å²	41.5	12%	0.123	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-68.7	144.3	-177.4	30.2	-37.3	0	0	0	111.6	G46 L47 K49 L93 I274 L320	G46-P272 WeakPolarHBondContact O-CD 3.46Å; G46-P272 WeakPolarHBondContact O-CG 3.36Å; L47-P272 WeakPolarHBondContact O-CD 3.44Å; K49-P272 HydrophobicContact CD-CB 4.4Å; L93-P272 HydrophobicContact CD2-CG 3.97Å; L93-P272 VanDerWaalsContact CD2-O 3.3Å; L93-P272 WeakPolarHBondContact CD2-O 3.45Å; P272-I274 PolarHBondContact O-N 3.49Å; P272-L320 HydrophobicContact CG-CD2 4.32Å
273	L	82.3	Confident	77.7	Confident	66 Å²	66	39.4 Å²	39.4	35%	0.346	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-70.8	120	160.3	-70	170.1	0	0	0	108.8	S245 D246	S245-L273 WeakPolarHBondContact OG-CG 3.4Å; D246-L273 HydrophobicContact CB-CD1 4.09Å
274	I	77.7	Confident	76.2	Confident	12 Å²	12	42.4 Å²	42.4	6%	0.062	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-84.7	121.3	172.1	-53.4	177	0	0	0	108.6	L93 P272 L282 Y317 L320 F321	L93-I274 HydrophobicContact CD1-CD1 3.5Å; L93-I274 HydrophobicContact CD1-CG1 4.46Å; L93-I274 HydrophobicContact CD2-CD1 3.55Å; L93-I274 HydrophobicContact CD2-CG1 3.64Å; L93-I274 HydrophobicContact CG-CD1 4.17Å; P272-I274 PolarHBondContact O-N 3.49Å; I274-L282 HydrophobicContact CB-CB 3.76Å; I274-L282 HydrophobicContact CB-CD2 3.91Å; I274-L282 HydrophobicContact CB-CG 4.44Å; I274-L282 HydrophobicContact CD1-CD2 3.76Å; I274-L282 HydrophobicContact CG1-CD2 4.45Å; I274-L282 HydrophobicContact CG2-CB 3.79Å; I274-L282 HydrophobicContact CG2-CD1 4.48Å; I274-L282 HydrophobicContact CG2-CD2 3.76Å; I274-L282 HydrophobicContact CG2-CG 4.21Å; I274-L282 WeakPolarHBondContact O-CB 3.44Å; I274-L282 PolarHBondContact O-N 3.26Å; I274-Y317 HydrophobicContact CD1-CE1 4.38Å; I274-Y317 HydrophobicContact CG2-CE1 3.67Å; I274-Y317 WeakPolarHBondContact CG2-OH 3.24Å; I274-L320 HydrophobicContact CD1-CD1 3.65Å; I274-L320 HydrophobicContact CG1-CD1 4.09Å; I274-F321 HydrophobicContact CD1-CD2 4.44Å; I274-F321 HydrophobicContact CD1-CE2 3.38Å; I274-F321 HydrophobicContact CD1-CZ 3.61Å
275	T	65.9	Low	74	Confident	67 Å²	67	41.7 Å²	41.7	41%	0.411	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-102.8	145.1	165.4	51	0	0	0	0	109	A280	T275-A280 CarbonylContact C-O 3.57Å; T275-A280 WeakPolarHBondContact CA-O 3.15Å
276	S	62.1	Low	72	Confident	34 Å²	34	44.5 Å²	44.5	24%	0.238	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-67.7	167.4	166.3	58.6	0	0	0	0	110.5	T278 G279 A280	S276-T278 PolarHBondContact O-N 3.11Å; S276-T278 VanDerWaalsContact O-N 3.15Å; S276-T278 PolarHBondContact OG-OG1 3.3Å; S276-G279 WeakPolarHBondContact O-CA 3.13Å; S276-G279 PolarHBondContact O-N 3.26Å; S276-A280 PolarHBondContact N-O 3.22Å; S276-A280 PolarHBondContact OG-N 3.39Å; S276-A280 PolarHBondContact OG-O 3.04Å
277	T	55	Low	69.9	Low	103 Å²	103	47.8 Å²	47.8	63%	0.632	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.4	174.8	48.1	0	0	0	0	113.1	G279	T277-G279 VanDerWaalsContact C-N 3.29Å
278	T	53	Low	68.5	Low	121 Å²	121	53.4 Å²	53.4	74%	0.742	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	3.2	174.2	62.8	0	0	0	0	113.6	S276 A280	S276-T278 PolarHBondContact O-N 3.11Å; S276-T278 VanDerWaalsContact O-N 3.15Å; S276-T278 PolarHBondContact OG-OG1 3.3Å; T278-A280 VanDerWaalsContact C-N 3.28Å; T278-A280 PolarHBondContact O-N 3.19Å
279	G	56.4	Low	67.8	Low	51 Å²	51	54.5 Å²	54.5	53%	0.526	36%	0.356	S	S	.	.	S	Bend	trans	82.8	-9	-178.3	0	0	0	0	0	115	S276 T277	S276-G279 WeakPolarHBondContact O-CA 3.13Å; S276-G279 PolarHBondContact O-N 3.26Å; T277-G279 VanDerWaalsContact C-N 3.29Å
280	A	58.6	Low	67.6	Low	42 Å²	42	55.1 Å²	55.1	35%	0.347	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71.3	141.2	177	0	0	0	0	0	111.6	T275 S276 T278 L282	T275-A280 CarbonylContact C-O 3.57Å; T275-A280 WeakPolarHBondContact CA-O 3.15Å; S276-A280 PolarHBondContact N-O 3.22Å; S276-A280 PolarHBondContact OG-N 3.39Å; S276-A280 PolarHBondContact OG-O 3.04Å; T278-A280 VanDerWaalsContact C-N 3.28Å; T278-A280 PolarHBondContact O-N 3.19Å; A280-L282 PolarHBondContact O-N 2.71Å
281	K	64.6	Low	67.6	Low	83 Å²	83	57.6 Å²	57.6	36%	0.361	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-55.4	135.3	175.2	-72.8	-168.2	176	-169.4	0	110.7	D246 G283 K284	D246-K281 IonicContact OD2-NZ 2.71Å; D246-K281 PolarHBondContact OD2-NZ 2.98Å; K281-G283 PolarHBondContact O-N 3.3Å; K281-K284 PolarHBondContact O-N 2.74Å
282	L	67.6	Low	67.7	Low	14 Å²	14	58.3 Å²	58.3	7%	0.073	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	135.6	180	-173.4	69.4	0	0	0	110.6	V89 I274 A280 F305 Y317 F321	V89-L282 HydrophobicContact CG1-CD2 4.03Å; V89-L282 HydrophobicContact CG1-CG 4.4Å; I274-L282 HydrophobicContact CB-CB 3.76Å; I274-L282 HydrophobicContact CB-CD2 3.91Å; I274-L282 HydrophobicContact CB-CG 4.44Å; I274-L282 HydrophobicContact CD1-CD2 3.76Å; I274-L282 HydrophobicContact CG1-CD2 4.45Å; I274-L282 HydrophobicContact CG2-CB 3.79Å; I274-L282 HydrophobicContact CG2-CD1 4.48Å; I274-L282 HydrophobicContact CG2-CD2 3.76Å; I274-L282 HydrophobicContact CG2-CG 4.21Å; I274-L282 WeakPolarHBondContact O-CB 3.44Å; I274-L282 PolarHBondContact O-N 3.26Å; A280-L282 PolarHBondContact O-N 2.71Å; L282-F305 HydrophobicContact CD1-CE1 4.48Å; L282-F305 HydrophobicContact CD1-CZ 3.73Å; L282-F305 HydrophobicContact CG-CZ 4.27Å; L282-Y317 HydrophobicContact CD1-CE2 3.95Å; L282-Y317 VanDerWaalsContact CD1-OH 3.31Å; L282-Y317 WeakPolarHBondContact CD1-OH 3.31Å; L282-Y317 HydrophobicContact CD2-CE2 4.2Å; L282-F321 HydrophobicContact CD2-CE2 3.66Å; L282-F321 HydrophobicContact CD2-CZ 3.47Å; L282-F321 VanDerWaalsContact CD2-CZ 3.47Å
283	G	56.4	Low	67.9	Low	4 Å²	4	60.1 Å²	60.1	4%	0.041	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	91	3.6	-178.3	0	0	0	0	0	113.8	K281 A289 V290	K281-G283 PolarHBondContact O-N 3.3Å; G283-A289 CarbonylContact O-C 3.55Å; G283-A289 WeakPolarHBondContact O-CA 3.39Å; G283-V290 PolarHBondContact O-N 3.49Å
284	K	59.8	Low	68.3	Low	122 Å²	122	60.2 Å²	60.2	53%	0.53	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	79.1	162.7	-66.2	-173.2	177.5	-171.5	0	109.6	K281 N288	K281-K284 PolarHBondContact O-N 2.74Å; K284-N288 CarbonylContact C-O 3.49Å; K284-N288 WeakPolarHBondContact CA-O 3.37Å
285	S	46.3	Very low	68.9	Low	69 Å²	69	65.4 Å²	65.4	48%	0.483	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121	176.8	-174.4	0	0	0	0	109.4	G287 N288	S285-G287 PolarHBondContact O-N 3.08Å; S285-N288 PolarHBondContact N-O 2.92Å; S285-N288 PolarHBondContact O-N 3.08Å
286	A	46.6	Very low	70	Confident	111 Å²	111	65.4 Å²	65.4	92%	0.917	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	33.9	175.4	0	0	0	0	0	115.1
287	G	51.2	Low	71.4	Confident	70 Å²	70	64.2 Å²	64.2	72%	0.722	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.2	-13.5	-178.1	0	0	0	0	0	116.1	S285	S285-G287 PolarHBondContact O-N 3.08Å
288	N	64.7	Low	73.2	Confident	126 Å²	126	59.6 Å²	59.6	67%	0.674	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.9	-177.4	-76.8	-22.2	0	0	0	113.6	K284 S285	K284-N288 CarbonylContact C-O 3.49Å; K284-N288 WeakPolarHBondContact CA-O 3.37Å; S285-N288 PolarHBondContact N-O 2.92Å; S285-N288 PolarHBondContact O-N 3.08Å
289	A	82.9	Confident	75.2	Confident	25 Å²	25	53.8 Å²	53.8	21%	0.207	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.6	176.1	0	0	0	0	0	111.5	H88 G283 W291	H88-A289 HydrophobicContact CB-CB 4.43Å; G283-A289 CarbonylContact O-C 3.55Å; G283-A289 WeakPolarHBondContact O-CA 3.39Å; A289-W291 HydrophobicContact CB-CD2 4.09Å; A289-W291 HydrophobicContact CB-CH2 4.19Å; A289-W291 HydrophobicContact CB-CZ2 3.64Å; A289-W291 PolarHBondContact O-N 2.98Å; A289-W291 PolarHBondContact O-NE1 2.85Å
290	V	90.8	Very high	76.9	Confident	12 Å²	12	52 Å²	52	7%	0.073	30%	0.304	C	S	.	.			trans	-88.6	96.9	170.5	-175.1	0	0	0	0	108.3	H88 V89 G283 T297 L302 F305	H88-V290 CarbonylContact C-O 3.54Å; H88-V290 WeakPolarHBondContact CA-O 3.23Å; H88-V290 WeakPolarHBondContact CB-O 3.42Å; V89-V290 HydrophobicContact CG2-CB 3.99Å; V89-V290 HydrophobicContact CG2-CG1 3.68Å; V89-V290 PolarHBondContact N-O 2.92Å; G283-V290 PolarHBondContact O-N 3.49Å; V290-T297 HydrophobicContact CG1-CG2 4.05Å; V290-L302 HydrophobicContact CG1-CD1 3.67Å; V290-F305 HydrophobicContact CG1-CB 4.41Å; V290-F305 HydrophobicContact CG1-CD1 4.22Å; V290-F305 HydrophobicContact CG1-CG 4.14Å; V290-F305 HydrophobicContact CG2-CD2 3.7Å; V290-F305 HydrophobicContact CG2-CE2 3.83Å; V290-F305 HydrophobicContact CG2-CG 4.09Å; V290-F305 HydrophobicContact CG2-CZ 4.34Å
291	W	93.8	Very high	78.5	Confident	54 Å²	54	53.4 Å²	53.4	21%	0.205	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-78.5	157.8	-172.1	-56.5	94.8	0	0	0	111.9	A84 S86 H88 A289 K296 T297	A84-W291 HydrophobicContact CB-CH2 3.57Å; A84-W291 HydrophobicContact CB-CZ3 3.54Å; S86-W291 WeakPolarHBondContact O-CZ3 3.46Å; H88-W291 HydrophobicContact CB-CE3 4.17Å; A289-W291 HydrophobicContact CB-CD2 4.09Å; A289-W291 HydrophobicContact CB-CH2 4.19Å; A289-W291 HydrophobicContact CB-CZ2 3.64Å; A289-W291 PolarHBondContact O-N 2.98Å; A289-W291 PolarHBondContact O-NE1 2.85Å; W291-K296 HydrophobicContact CB-CB 3.64Å; W291-K296 HydrophobicContact CB-CD 4.38Å; W291-K296 HydrophobicContact CD2-CB 4.45Å; W291-K296 HydrophobicContact CD2-CD 3.81Å; W291-K296 HydrophobicContact CE3-CD 4.3Å; W291-K296 HydrophobicContact CG-CB 3.6Å; W291-K296 HydrophobicContact CG-CD 3.85Å; W291-K296 HydrophobicContact CG-CG 4.38Å; W291-T297 PolarHBondContact N-OG1 2.93Å; W291-T297 WeakPolarHBondContact O-CB 3.27Å
292	L	95.6	Very high	79.9	Confident	20 Å²	20	49.4 Å²	49.4	11%	0.105	29%	0.286	C	S	.	.	S	Bend	trans	-88.9	-20.2	171.8	-56	-171.4	0	0	0	112	L87 V89 L92 L151 V357 H358	L87-L292 HydrophobicContact CB-CD1 3.92Å; L87-L292 HydrophobicContact CB-CG 4.34Å; L87-L292 PolarHBondContact O-N 3.22Å; V89-L292 HydrophobicContact CG2-CD2 4.27Å; L92-L292 HydrophobicContact CD1-CD1 4.41Å; L92-L292 HydrophobicContact CD2-CD2 4.5Å; L151-L292 HydrophobicContact CD2-CD1 4.49Å; L292-V357 HydrophobicContact CB-CG1 3.91Å; L292-V357 HydrophobicContact CD2-CG1 4.09Å; L292-V357 HydrophobicContact CD2-CG2 3.96Å; L292-V357 VanDerWaalsContact O-CG1 3.31Å; L292-V357 WeakPolarHBondContact O-CG1 3.5Å; L292-H358 PolarHBondContact O-CE1 2.85Å
293	N	94.2	Very high	81.3	Confident	56 Å²	56	49.6 Å²	49.6	30%	0.299	29%	0.286	S	S	.	.	S	Bend	trans	-74.9	131.2	174.5	175.4	-71.2	0	0	0	110.9	S86 D295 K296 T297	S86-N293 WeakPolarHBondContact OG-CB 3.48Å; S86-N293 PolarHBondContact OG-N 2.64Å; S86-N293 VanDerWaalsContact OG-N 3.16Å; N293-D295 VanDerWaalsContact C-N 3.33Å; N293-D295 PolarHBondContact O-N 3.29Å; N293-D295 WeakPolarHBondContact OD1-CA 3.49Å; N293-D295 WeakPolarHBondContact OD1-CB 3.43Å; N293-D295 PolarHBondContact OD1-N 3.4Å; N293-K296 PolarHBondContact O-N 3.35Å; N293-K296 PolarHBondContact OD1-N 3.43Å; N293-T297 PolarHBondContact O-N 3.44Å
294	R	91.8	Very high	83	Confident	68 Å²	68	49.9 Å²	49.9	26%	0.257	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.8	-176.6	177.8	169	-171.8	169.7	5.4	114	K296 T297 P299 E391	R294-K296 VanDerWaalsContact C-N 3.27Å; R294-K296 PolarHBondContact O-N 3.47Å; R294-T297 WeakPolarHBondContact CA-O 3.36Å; R294-T297 CarbonylContact O-C 3.47Å; R294-P299 HydrophobicContact CG-CG 4.27Å; R294-E391 IonicContact CZ-OE1 3.9Å; R294-E391 VanDerWaalsContact CZ-OE1 3.32Å; R294-E391 IonicContact CZ-OE2 2.66Å; R294-E391 IonicContact NE-OE1 3.42Å; R294-E391 PolarHBondContact NE-OE1 3.15Å; R294-E391 IonicContact NE-OE2 2.79Å; R294-E391 IonicContact NH2-OE1 3.84Å; R294-E391 PolarHBondContact NH2-OE1 2.87Å; R294-E391 VanDerWaalsContact NH2-OE1 3.08Å; R294-E391 IonicContact NH2-OE2 3.59Å; R294-E391 PolarHBondContact NH2-OE2 3.04Å; R294-E391 VanDerWaalsContact NH2-OE2 3.11Å
295	D	88.6	Confident	84.6	Confident	122 Å²	122	45.3 Å²	45.3	65%	0.652	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-24.6	-177	-51.8	-41.6	0	0	0	111.6	N293	N293-D295 VanDerWaalsContact C-N 3.33Å; N293-D295 PolarHBondContact O-N 3.29Å; N293-D295 WeakPolarHBondContact OD1-CA 3.49Å; N293-D295 WeakPolarHBondContact OD1-CB 3.43Å; N293-D295 PolarHBondContact OD1-N 3.4Å
296	K	90.3	Very high	86.9	Confident	66 Å²	66	42 Å²	42	29%	0.287	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-42.7	177.8	-69.7	-166.7	156.8	-172	0	113.3	D85 W291 N293 R294	D85-K296 WeakPolarHBondContact OD1-CE 3.46Å; D85-K296 IonicContact OD1-NZ 3.3Å; D85-K296 PolarHBondContact OD1-NZ 3.4Å; D85-K296 WeakPolarHBondContact OD2-CE 3.46Å; D85-K296 IonicContact OD2-NZ 3.79Å; D85-K296 PolarHBondContact OD2-NZ 3.14Å; W291-K296 HydrophobicContact CB-CB 3.64Å; W291-K296 HydrophobicContact CB-CD 4.38Å; W291-K296 HydrophobicContact CD2-CB 4.45Å; W291-K296 HydrophobicContact CD2-CD 3.81Å; W291-K296 HydrophobicContact CE3-CD 4.3Å; W291-K296 HydrophobicContact CG-CB 3.6Å; W291-K296 HydrophobicContact CG-CD 3.85Å; W291-K296 HydrophobicContact CG-CG 4.38Å; N293-K296 PolarHBondContact O-N 3.35Å; N293-K296 PolarHBondContact OD1-N 3.43Å; R294-K296 VanDerWaalsContact C-N 3.27Å; R294-K296 PolarHBondContact O-N 3.47Å
297	T	91.6	Very high	89.2	Confident	10 Å²	10	37.4 Å²	37.4	6%	0.061	20%	0.204	C	C	.	.	S	Bend	trans	-133.2	115.2	174.9	-62.3	0	0	0	0	107.6	V290 W291 N293 R294 E301 L302	V290-T297 HydrophobicContact CG1-CG2 4.05Å; W291-T297 PolarHBondContact N-OG1 2.93Å; W291-T297 WeakPolarHBondContact O-CB 3.27Å; N293-T297 PolarHBondContact O-N 3.44Å; R294-T297 WeakPolarHBondContact CA-O 3.36Å; R294-T297 CarbonylContact O-C 3.47Å; T297-E301 WeakPolarHBondContact CA-OE2 3.46Å; T297-E301 HydrophobicContact CG2-CB 3.77Å; T297-L302 HydrophobicContact CG2-CB 4.16Å
298	S	92.6	Very high	91.2	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.035	19%	0.194	C	C	.	.			trans	-67.1	159	-176.9	74.6	0	0	0	0	111	F300 E301 L302	S298-F300 PolarHBondContact O-N 3.25Å; S298-E301 PolarHBondContact N-OE2 3.16Å; S298-E301 PolarHBondContact O-N 3.35Å; S298-E301 WeakPolarHBondContact OG-CG 3.42Å; S298-E301 PolarHBondContact OG-N 2.97Å; S298-E301 VanDerWaalsContact OG-N 3.14Å; S298-L302 PolarHBondContact O-N 3.25Å
299	P	94.8	Very high	92.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.1	-34.2	177.9	-22.8	35.5	0	0	0	111.7	R294 Y303 T354 H358 G362 A366	R294-P299 HydrophobicContact CG-CG 4.27Å; P299-Y303 WeakPolarHBondContact O-CB 3.25Å; P299-Y303 PolarHBondContact O-N 3.45Å; P299-T354 HydrophobicContact CB-CG2 4.28Å; P299-H358 HydrophobicContact CB-CB 4.27Å; P299-H358 HydrophobicContact CG-CB 4.2Å; P299-G362 VanDerWaalsContact CB-O 3.25Å; P299-G362 WeakPolarHBondContact CB-O 3.27Å; P299-A366 HydrophobicContact CB-CB 4.26Å; P299-A366 WeakPolarHBondContact O-CB 3.39Å
300	F	92.3	Very high	92.8	Very high	14 Å²	14	36.8 Å²	36.8	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-49.4	172.8	171.4	-108.1	0	0	0	112.2	S298 L302 Y303 Q304 C369 L373 Y374 L392	S298-F300 PolarHBondContact O-N 3.25Å; F300-L302 PolarHBondContact O-N 3.28Å; F300-Y303 PolarHBondContact O-N 3.36Å; F300-Q304 HydrophobicContact CD2-CG 3.88Å; F300-Q304 HydrophobicContact CE1-CG 4.2Å; F300-Q304 HydrophobicContact CE2-CG 3.46Å; F300-Q304 VanDerWaalsContact CE2-CG 3.46Å; F300-Q304 HydrophobicContact CG-CG 4.42Å; F300-Q304 HydrophobicContact CZ-CG 3.65Å; F300-Q304 WeakPolarHBondContact O-CB 3.42Å; F300-Q304 VanDerWaalsContact O-CG 3.25Å; F300-Q304 WeakPolarHBondContact O-CG 3.31Å; F300-Q304 PolarHBondContact O-N 2.99Å; F300-C369 HydrophobicContact CB-CB 3.85Å; F300-C369 HydrophobicContact CD2-CB 3.46Å; F300-C369 VanDerWaalsContact CD2-CB 3.46Å; F300-C369 HydrophobicContact CE2-CB 4.2Å; F300-C369 HydrophobicContact CG-CB 3.78Å; F300-L373 HydrophobicContact CE1-CD2 4.26Å; F300-L373 HydrophobicContact CZ-CD2 3.74Å; F300-Y374 HydrophobicContact CE2-CE2 4.2Å; F300-Y374 AromaticContact CZ-CE2 3.98Å; F300-Y374 HydrophobicContact CZ-CE2 3.98Å; F300-L392 HydrophobicContact CD1-CD1 3.71Å; F300-L392 HydrophobicContact CD2-CD1 4.19Å; F300-L392 HydrophobicContact CE1-CD1 3.5Å; F300-L392 HydrophobicContact CE2-CD1 4.01Å; F300-L392 HydrophobicContact CG-CD1 4.04Å; F300-L392 HydrophobicContact CZ-CD1 3.65Å
301	E	91.6	Very high	92.9	Very high	70 Å²	70	40.1 Å²	40.1	33%	0.327	19%	0.19	S	C	.	.	H	α-helix	trans	-61.6	-44.2	178.5	-73.2	172.3	153.3	0	0	111.7	T297 S298 Q304 F305	T297-E301 WeakPolarHBondContact CA-OE2 3.46Å; T297-E301 HydrophobicContact CG2-CB 3.77Å; S298-E301 PolarHBondContact N-OE2 3.16Å; S298-E301 PolarHBondContact O-N 3.35Å; S298-E301 WeakPolarHBondContact OG-CG 3.42Å; S298-E301 PolarHBondContact OG-N 2.97Å; S298-E301 VanDerWaalsContact OG-N 3.14Å; E301-Q304 PolarHBondContact O-N 2.92Å; E301-F305 WeakPolarHBondContact O-CB 3.45Å; E301-F305 PolarHBondContact O-N 2.8Å
302	L	94.8	Very high	92.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-47	176.2	-176.5	68.9	0	0	0	111.3	V89 V290 T297 S298 F300 Q304 F305 F306 V357 H358	V89-L302 HydrophobicContact CG2-CD1 3.81Å; V290-L302 HydrophobicContact CG1-CD1 3.67Å; T297-L302 HydrophobicContact CG2-CB 4.16Å; S298-L302 PolarHBondContact O-N 3.25Å; F300-L302 PolarHBondContact O-N 3.28Å; L302-Q304 PolarHBondContact O-N 3.02Å; L302-F305 WeakPolarHBondContact O-CB 3.4Å; L302-F305 PolarHBondContact O-N 3.32Å; L302-F306 HydrophobicContact CD1-CD2 4.35Å; L302-F306 HydrophobicContact CD1-CE2 3.88Å; L302-F306 HydrophobicContact CG-CD2 4.47Å; L302-F306 HydrophobicContact CG-CE2 4.35Å; L302-F306 WeakPolarHBondContact O-CD2 3.49Å; L302-F306 PolarHBondContact O-N 3.47Å; L302-V357 HydrophobicContact CD2-CB 3.74Å; L302-V357 HydrophobicContact CD2-CG1 3.81Å; L302-V357 HydrophobicContact CD2-CG2 4.03Å; L302-H358 WeakPolarHBondContact CD2-NE2 3.29Å
303	Y	96.2	Very high	92.6	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.071	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-47.6	177.5	-177.1	-94.1	0	0	0	111	P299 F300 F305 F306 V307 A350 A351 T354 L363 A366	P299-Y303 WeakPolarHBondContact O-CB 3.25Å; P299-Y303 PolarHBondContact O-N 3.45Å; F300-Y303 PolarHBondContact O-N 3.36Å; Y303-F305 VanDerWaalsContact C-N 3.32Å; Y303-F305 PolarHBondContact O-N 2.99Å; Y303-F306 PolarHBondContact O-N 2.84Å; Y303-V307 HydrophobicContact CD1-CG2 3.74Å; Y303-V307 HydrophobicContact CE1-CG2 3.4Å; Y303-V307 VanDerWaalsContact CE1-CG2 3.4Å; Y303-V307 HydrophobicContact CG-CG2 4.46Å; Y303-V307 WeakPolarHBondContact O-CG2 3.37Å; Y303-V307 PolarHBondContact O-N 2.82Å; Y303-A350 HydrophobicContact CD1-CB 4.48Å; Y303-A350 HydrophobicContact CD2-CB 3.52Å; Y303-A350 HydrophobicContact CE2-CB 3.55Å; Y303-A350 HydrophobicContact CG-CB 4.01Å; Y303-A350 WeakPolarHBondContact O-CB 3.42Å; Y303-A351 HydrophobicContact CE2-CB 4.37Å; Y303-T354 WeakPolarHBondContact CA-OG1 3.46Å; Y303-T354 WeakPolarHBondContact CB-OG1 3.42Å; Y303-L363 HydrophobicContact CD2-CD1 3.96Å; Y303-L363 HydrophobicContact CE2-CD1 3.89Å; Y303-A366 HydrophobicContact CD2-CB 4.34Å; Y303-A366 HydrophobicContact CG-CB 3.95Å
304	Q	92.9	Very high	92.6	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-34.7	178.7	-73.2	-62.9	-40.5	0	0	112.7	F300 E301 L302 F306 V307 R308 T370	F300-Q304 HydrophobicContact CD2-CG 3.88Å; F300-Q304 HydrophobicContact CE1-CG 4.2Å; F300-Q304 HydrophobicContact CE2-CG 3.46Å; F300-Q304 VanDerWaalsContact CE2-CG 3.46Å; F300-Q304 HydrophobicContact CG-CG 4.42Å; F300-Q304 HydrophobicContact CZ-CG 3.65Å; F300-Q304 WeakPolarHBondContact O-CB 3.42Å; F300-Q304 VanDerWaalsContact O-CG 3.25Å; F300-Q304 WeakPolarHBondContact O-CG 3.31Å; F300-Q304 PolarHBondContact O-N 2.99Å; E301-Q304 PolarHBondContact O-N 2.92Å; L302-Q304 PolarHBondContact O-N 3.02Å; Q304-F306 VanDerWaalsContact C-N 3.3Å; Q304-F306 PolarHBondContact O-N 3.35Å; Q304-V307 PolarHBondContact O-N 3.14Å; Q304-R308 WeakPolarHBondContact O-CB 3.44Å; Q304-R308 WeakPolarHBondContact O-CD 3.24Å; Q304-R308 WeakPolarHBondContact O-CG 3.19Å; Q304-R308 PolarHBondContact O-N 2.82Å; Q304-T370 PolarHBondContact NE2-OG1 2.88Å
305	F	93.3	Very high	92.8	Very high	26 Å²	26	40.8 Å²	40.8	11%	0.114	20%	0.202	C	C	.	.	H	α-helix	trans	-56.7	-44	173	168.6	-96.5	0	0	0	111.6	V89 L282 V290 E301 L302 Y303 Q309	V89-F305 HydrophobicContact CG1-CE1 4.27Å; V89-F305 HydrophobicContact CG2-CE1 4.48Å; L282-F305 HydrophobicContact CD1-CE1 4.48Å; L282-F305 HydrophobicContact CD1-CZ 3.73Å; L282-F305 HydrophobicContact CG-CZ 4.27Å; V290-F305 HydrophobicContact CG1-CB 4.41Å; V290-F305 HydrophobicContact CG1-CD1 4.22Å; V290-F305 HydrophobicContact CG1-CG 4.14Å; V290-F305 HydrophobicContact CG2-CD2 3.7Å; V290-F305 HydrophobicContact CG2-CE2 3.83Å; V290-F305 HydrophobicContact CG2-CG 4.09Å; V290-F305 HydrophobicContact CG2-CZ 4.34Å; E301-F305 WeakPolarHBondContact O-CB 3.45Å; E301-F305 PolarHBondContact O-N 2.8Å; L302-F305 WeakPolarHBondContact O-CB 3.4Å; L302-F305 PolarHBondContact O-N 3.32Å; Y303-F305 VanDerWaalsContact C-N 3.32Å; Y303-F305 PolarHBondContact O-N 2.99Å; F305-Q309 PolarHBondContact O-NE2 3.34Å
306	F	94.7	Very high	93.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-77.2	-35.8	177.1	-76.3	-73.4	0	0	0	113.4	V89 L302 Y303 Q304 R308 Q309 F321 L349 A350 V353	V89-F306 HydrophobicContact CG1-CZ 3.84Å; V89-F306 HydrophobicContact CG2-CE2 4.28Å; V89-F306 HydrophobicContact CG2-CZ 4.29Å; L302-F306 HydrophobicContact CD1-CD2 4.35Å; L302-F306 HydrophobicContact CD1-CE2 3.88Å; L302-F306 HydrophobicContact CG-CD2 4.47Å; L302-F306 HydrophobicContact CG-CE2 4.35Å; L302-F306 WeakPolarHBondContact O-CD2 3.49Å; L302-F306 PolarHBondContact O-N 3.47Å; Y303-F306 PolarHBondContact O-N 2.84Å; Q304-F306 VanDerWaalsContact C-N 3.3Å; Q304-F306 PolarHBondContact O-N 3.35Å; F306-R308 PolarHBondContact O-N 3.41Å; F306-Q309 WeakPolarHBondContact O-CB 3.39Å; F306-Q309 VanDerWaalsContact O-CG 3.31Å; F306-Q309 WeakPolarHBondContact O-CG 3.32Å; F306-Q309 PolarHBondContact O-N 3.01Å; F306-F321 HydrophobicContact CE1-CD2 4.23Å; F306-F321 HydrophobicContact CE1-CE2 4.4Å; F306-F321 HydrophobicContact CE1-CG 4.34Å; F306-F321 HydrophobicContact CZ-CD1 4.49Å; F306-L349 HydrophobicContact CB-CG 4.32Å; F306-L349 HydrophobicContact CD1-CD1 4.31Å; F306-L349 HydrophobicContact CD1-CD2 3.81Å; F306-L349 HydrophobicContact CD1-CG 3.83Å; F306-L349 HydrophobicContact CG-CG 4.36Å; F306-A350 HydrophobicContact CB-CB 3.62Å; F306-V353 HydrophobicContact CD2-CB 4.05Å; F306-V353 HydrophobicContact CD2-CG1 3.99Å; F306-V353 HydrophobicContact CE1-CG2 4.27Å; F306-V353 HydrophobicContact CE2-CB 3.86Å; F306-V353 HydrophobicContact CE2-CG1 3.33Å; F306-V353 HydrophobicContact CE2-CG2 4.24Å; F306-V353 HydrophobicContact CZ-CB 4.21Å; F306-V353 HydrophobicContact CZ-CG1 3.69Å; F306-V353 HydrophobicContact CZ-CG2 4.11Å
307	V	94.8	Very high	93.4	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.085	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-35.9	174.5	169.6	0	0	0	0	111.2	Y303 Q304 Q309 R343 Q346 K347 A350	Y303-V307 HydrophobicContact CD1-CG2 3.74Å; Y303-V307 HydrophobicContact CE1-CG2 3.4Å; Y303-V307 VanDerWaalsContact CE1-CG2 3.4Å; Y303-V307 HydrophobicContact CG-CG2 4.46Å; Y303-V307 WeakPolarHBondContact O-CG2 3.37Å; Y303-V307 PolarHBondContact O-N 2.82Å; Q304-V307 PolarHBondContact O-N 3.14Å; V307-Q309 VanDerWaalsContact C-N 3.27Å; V307-Q309 PolarHBondContact O-N 3.2Å; V307-R343 PolarHBondContact O-NE 3.31Å; V307-R343 PolarHBondContact O-NH2 2.87Å; V307-Q346 WeakPolarHBondContact O-CB 3.34Å; V307-K347 HydrophobicContact CG2-CG 4.49Å; V307-A350 HydrophobicContact CG2-CB 3.65Å
308	R	92.2	Very high	93.7	Very high	136 Å²	136	36.8 Å²	36.8	51%	0.513	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.1	-176.7	-70.2	168.3	-166.3	162.9	2.4	114.1	Q304 F306 R343 Y374	Q304-R308 WeakPolarHBondContact O-CB 3.44Å; Q304-R308 WeakPolarHBondContact O-CD 3.24Å; Q304-R308 WeakPolarHBondContact O-CG 3.19Å; Q304-R308 PolarHBondContact O-N 2.82Å; F306-R308 PolarHBondContact O-N 3.41Å; R308-R343 PolarHBondContact O-NH2 3Å; R308-Y374 PolarHBondContact NH2-OH 3.21Å
309	Q	91.1	Very high	93.9	Very high	21 Å²	21	38.5 Å²	38.5	10%	0.098	18%	0.182	C	C	.	.			trans	-60.5	143.3	-178.7	-63.5	-58.7	-38.5	0	0	111.8	F305 F306 V307 Y317 R343 Q346	F305-Q309 PolarHBondContact O-NE2 3.34Å; F306-Q309 WeakPolarHBondContact O-CB 3.39Å; F306-Q309 VanDerWaalsContact O-CG 3.31Å; F306-Q309 WeakPolarHBondContact O-CG 3.32Å; F306-Q309 PolarHBondContact O-N 3.01Å; V307-Q309 VanDerWaalsContact C-N 3.27Å; V307-Q309 PolarHBondContact O-N 3.2Å; Q309-Y317 HydrophobicContact CG-CD2 3.96Å; Q309-Y317 HydrophobicContact CG-CE2 4Å; Q309-Y317 VanDerWaalsContact OE1-CE2 3.31Å; Q309-R343 PolarHBondContact O-NH2 2.89Å; Q309-Q346 PolarHBondContact O-NE2 2.93Å
310	P	91.5	Very high	94	Very high	52 Å²	52	38.6 Å²	38.6	34%	0.338	18%	0.182	S	C	.	.			trans	-66.1	156.9	178.6	-14.4	28.3	0	0	0	111.8	D312 S313 V314	P310-D312 VanDerWaalsContact C-N 3.29Å; P310-D312 WeakPolarHBondContact CB-OD1 3.37Å; P310-D312 PolarHBondContact O-N 2.92Å; P310-S313 PolarHBondContact O-N 2.89Å; P310-V314 PolarHBondContact O-N 2.94Å
311	D	92.9	Very high	94.2	Very high	82 Å²	82	38 Å²	38	44%	0.439	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-35.4	-179.3	-68.3	-37.4	0	0	0	112.8	S313 V314 H336 Q346	D311-S313 PolarHBondContact O-N 3.19Å; D311-V314 WeakPolarHBondContact O-CG1 3.19Å; D311-H336 IonicContact OD1-CE1 3.42Å; D311-H336 PolarHBondContact OD1-CE1 3.31Å; D311-H336 VanDerWaalsContact OD1-CE1 3.24Å; D311-H336 IonicContact OD1-NE2 2.56Å; D311-H336 PolarHBondContact OD1-NE2 2.94Å; D311-Q346 PolarHBondContact OD1-NE2 3.46Å
312	D	91.4	Very high	94.4	Very high	121 Å²	121	34.7 Å²	34.7	65%	0.647	16%	0.164	S	C	*	.	H	α-helix	trans	-65.3	-20.4	179.6	66.3	5.9	0	0	0	113.9	P310	P310-D312 VanDerWaalsContact C-N 3.29Å; P310-D312 WeakPolarHBondContact CB-OD1 3.37Å; P310-D312 PolarHBondContact O-N 2.92Å
313	S	91.1	Very high	94.5	Very high	20 Å²	20	35.9 Å²	35.9	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-106.4	-20.7	-171.2	-63.8	0	0	0	0	112.3	P310 D311 E315 R316 Y317	P310-S313 PolarHBondContact O-N 2.89Å; D311-S313 PolarHBondContact O-N 3.19Å; S313-E315 PolarHBondContact O-N 2.81Å; S313-R316 PolarHBondContact O-N 3.11Å; S313-Y317 WeakPolarHBondContact O-CD1 3.07Å; S313-Y317 PolarHBondContact O-N 2.84Å
314	V	94.8	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-38.4	-169	74.4	0	0	0	0	112.9	P310 D311 Y317 L318 M333 A345 Q346 L349	P310-V314 PolarHBondContact O-N 2.94Å; D311-V314 WeakPolarHBondContact O-CG1 3.19Å; V314-Y317 PolarHBondContact O-N 3.44Å; V314-L318 HydrophobicContact CG2-CD1 4.48Å; V314-L318 WeakPolarHBondContact O-CG 3.43Å; V314-L318 PolarHBondContact O-N 3.37Å; V314-M333 HydrophobicContact CG1-CE 3.87Å; V314-M333 HydrophobicContact CG1-SD 3.92Å; V314-A345 HydrophobicContact CB-CB 4.44Å; V314-A345 HydrophobicContact CG1-CB 3.8Å; V314-A345 HydrophobicContact CG2-CB 3.7Å; V314-Q346 HydrophobicContact CB-CG 4.26Å; V314-Q346 HydrophobicContact CG2-CB 4.32Å; V314-Q346 HydrophobicContact CG2-CG 3.74Å; V314-L349 HydrophobicContact CG2-CD2 4.14Å
315	E	96.4	Very high	94.5	Very high	71 Å²	71	38.4 Å²	38.4	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-62.6	-48.3	177.7	-175.6	-173.9	155.8	0	0	111.1	S313 Y317 L318 K319 I329 M333	S313-E315 PolarHBondContact O-N 2.81Å; E315-Y317 PolarHBondContact O-N 3.42Å; E315-L318 PolarHBondContact O-N 3.42Å; E315-K319 HydrophobicContact CG-CD 4.49Å; E315-K319 WeakPolarHBondContact O-CG 3.36Å; E315-K319 PolarHBondContact O-N 3.03Å; E315-K319 WeakPolarHBondContact OE1-CE 3.25Å; E315-K319 IonicContact OE1-NZ 3.08Å; E315-K319 PolarHBondContact OE1-NZ 2.94Å; E315-I329 HydrophobicContact CG-CG2 4.29Å; E315-M333 HydrophobicContact CB-CE 3.97Å; E315-M333 HydrophobicContact CB-CG 4.01Å; E315-M333 HydrophobicContact CB-SD 3.83Å; E315-M333 HydrophobicContact CG-CG 3.81Å; E315-M333 HydrophobicContact CG-SD 4.3Å
316	R	95.3	Very high	94.5	Very high	108 Å²	108	39.4 Å²	39.4	41%	0.408	19%	0.194	S	C	.	.	H	α-helix	trans	-58.1	-41.9	175.7	178.6	-179.1	169.5	-169.3	-1.7	110.3	S313 K319 L320	S313-R316 PolarHBondContact O-N 3.11Å; R316-K319 PolarHBondContact O-N 3.14Å; R316-L320 HydrophobicContact CG-CD1 3.72Å; R316-L320 HydrophobicContact CG-CG 4.32Å; R316-L320 WeakPolarHBondContact O-CB 3.21Å; R316-L320 VanDerWaalsContact O-CG 3.24Å; R316-L320 WeakPolarHBondContact O-CG 3.49Å; R316-L320 PolarHBondContact O-N 2.94Å
317	Y	95.8	Very high	94.5	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-72.9	-34.1	-178.8	-73.7	13.4	0	0	0	112.4	I274 L282 Q309 S313 V314 E315 K319 L320 F321 L349	I274-Y317 HydrophobicContact CD1-CE1 4.38Å; I274-Y317 HydrophobicContact CG2-CE1 3.67Å; I274-Y317 WeakPolarHBondContact CG2-OH 3.24Å; L282-Y317 HydrophobicContact CD1-CE2 3.95Å; L282-Y317 VanDerWaalsContact CD1-OH 3.31Å; L282-Y317 WeakPolarHBondContact CD1-OH 3.31Å; L282-Y317 HydrophobicContact CD2-CE2 4.2Å; Q309-Y317 HydrophobicContact CG-CD2 3.96Å; Q309-Y317 HydrophobicContact CG-CE2 4Å; Q309-Y317 VanDerWaalsContact OE1-CE2 3.31Å; S313-Y317 WeakPolarHBondContact O-CD1 3.07Å; S313-Y317 PolarHBondContact O-N 2.84Å; V314-Y317 PolarHBondContact O-N 3.44Å; E315-Y317 PolarHBondContact O-N 3.42Å; Y317-K319 VanDerWaalsContact C-N 3.29Å; Y317-K319 PolarHBondContact O-N 3.05Å; Y317-L320 PolarHBondContact O-N 3.12Å; Y317-F321 HydrophobicContact CD1-CE2 4.36Å; Y317-F321 HydrophobicContact CD2-CE2 4.4Å; Y317-F321 HydrophobicContact CG-CD2 4.12Å; Y317-F321 HydrophobicContact CG-CE2 4.2Å; Y317-F321 VanDerWaalsContact O-CB 3.29Å; Y317-F321 WeakPolarHBondContact O-CB 3.38Å; Y317-F321 PolarHBondContact O-N 2.93Å; Y317-L349 VanDerWaalsContact CB-CD2 3.49Å; Y317-L349 HydrophobicContact CD2-CD2 4.21Å; Y317-L349 HydrophobicContact CG-CD2 4.39Å
318	L	97.7	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-44.2	169.5	-76	167.2	0	0	0	110.8	V314 E315 T322 L324 I329 I332 M333 A345 R348 L349	V314-L318 HydrophobicContact CG2-CD1 4.48Å; V314-L318 WeakPolarHBondContact O-CG 3.43Å; V314-L318 PolarHBondContact O-N 3.37Å; E315-L318 PolarHBondContact O-N 3.42Å; L318-T322 HydrophobicContact CD2-CG2 4.2Å; L318-T322 WeakPolarHBondContact O-CB 3.3Å; L318-T322 PolarHBondContact O-N 2.87Å; L318-T322 PolarHBondContact O-OG1 3.38Å; L318-L324 HydrophobicContact CD2-CD1 4.18Å; L318-I329 HydrophobicContact CB-CD1 4.17Å; L318-I329 HydrophobicContact CB-CG1 4.21Å; L318-I329 HydrophobicContact CB-CG2 3.98Å; L318-I329 HydrophobicContact CD1-CG2 4.25Å; L318-I332 HydrophobicContact CD1-CG2 4.03Å; L318-M333 HydrophobicContact CD1-SD 4.12Å; L318-A345 HydrophobicContact CD1-CB 4.14Å; L318-R348 HydrophobicContact CD2-CG 4.41Å; L318-L349 HydrophobicContact CD2-CB 3.78Å; L318-L349 HydrophobicContact CD2-CD1 4.4Å; L318-L349 HydrophobicContact CG-CB 4.27Å
319	K	96.6	Very high	94.8	Very high	42 Å²	42	39.8 Å²	39.8	18%	0.183	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-40	178.1	-71.2	172.5	174.2	170.2	0	112.8	R45 E315 R316 Y317 L326 I329	R45-K319 HydrophobicContact CB-CB 4.26Å; R45-K319 HydrophobicContact CG-CB 4.47Å; R45-K319 PolarHBondContact NH1-O 2.79Å; R45-K319 WeakPolarHBondContact O-CB 3.37Å; E315-K319 HydrophobicContact CG-CD 4.49Å; E315-K319 WeakPolarHBondContact O-CG 3.36Å; E315-K319 PolarHBondContact O-N 3.03Å; E315-K319 WeakPolarHBondContact OE1-CE 3.25Å; E315-K319 IonicContact OE1-NZ 3.08Å; E315-K319 PolarHBondContact OE1-NZ 2.94Å; R316-K319 PolarHBondContact O-N 3.14Å; Y317-K319 VanDerWaalsContact C-N 3.29Å; Y317-K319 PolarHBondContact O-N 3.05Å; K319-L326 HydrophobicContact CD-CD2 4.39Å; K319-L326 HydrophobicContact CG-CD2 4.01Å; K319-I329 HydrophobicContact CB-CD1 4.48Å; K319-I329 HydrophobicContact CG-CD1 3.88Å; K319-I329 HydrophobicContact CG-CG2 4.33Å
320	L	95.9	Very high	95.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-85.2	-35.9	-174.6	-68.1	176.8	0	0	0	114.5	G46 L47 L93 L96 P272 I274 R316 Y317	G46-L320 WeakPolarHBondContact O-CD2 3.5Å; L47-L320 HydrophobicContact CB-CD2 4.1Å; L47-L320 HydrophobicContact CD1-CD2 4.18Å; L93-L320 HydrophobicContact CD1-CB 4.3Å; L96-L320 VanDerWaalsContact CD1-O 3.31Å; L96-L320 WeakPolarHBondContact CD1-O 3.41Å; P272-L320 HydrophobicContact CG-CD2 4.32Å; I274-L320 HydrophobicContact CD1-CD1 3.65Å; I274-L320 HydrophobicContact CG1-CD1 4.09Å; R316-L320 HydrophobicContact CG-CD1 3.72Å; R316-L320 HydrophobicContact CG-CG 4.32Å; R316-L320 WeakPolarHBondContact O-CB 3.21Å; R316-L320 VanDerWaalsContact O-CG 3.24Å; R316-L320 WeakPolarHBondContact O-CG 3.49Å; R316-L320 PolarHBondContact O-N 2.94Å; Y317-L320 PolarHBondContact O-N 3.12Å
321	F	96.8	Very high	95.4	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-106.3	0.6	-168.7	-74.1	-76.4	0	0	0	115	V89 L92 L93 L96 I274 L282 F306 Y317 L349 V353	V89-F321 HydrophobicContact CG1-CE1 3.81Å; V89-F321 HydrophobicContact CG1-CZ 3.8Å; L92-F321 HydrophobicContact CB-CE1 4.22Å; L92-F321 HydrophobicContact CD2-CD1 3.91Å; L92-F321 HydrophobicContact CD2-CE1 4.14Å; L92-F321 HydrophobicContact CG-CD1 4.24Å; L92-F321 HydrophobicContact CG-CE1 4.34Å; L93-F321 HydrophobicContact CD1-CD1 3.77Å; L93-F321 HydrophobicContact CD1-CD2 4.2Å; L93-F321 HydrophobicContact CD1-CE1 3.19Å; L93-F321 HydrophobicContact CD1-CE2 3.69Å; L93-F321 HydrophobicContact CD1-CG 4.24Å; L93-F321 HydrophobicContact CD1-CZ 3.14Å; L96-F321 VanDerWaalsContact CD1-CA 3.49Å; L96-F321 HydrophobicContact CD1-CB 4.32Å; L96-F321 HydrophobicContact CD1-CD1 3.82Å; L96-F321 HydrophobicContact CD1-CG 4.41Å; I274-F321 HydrophobicContact CD1-CD2 4.44Å; I274-F321 HydrophobicContact CD1-CE2 3.38Å; I274-F321 HydrophobicContact CD1-CZ 3.61Å; L282-F321 HydrophobicContact CD2-CE2 3.66Å; L282-F321 HydrophobicContact CD2-CZ 3.47Å; L282-F321 VanDerWaalsContact CD2-CZ 3.47Å; F306-F321 HydrophobicContact CE1-CD2 4.23Å; F306-F321 HydrophobicContact CE1-CE2 4.4Å; F306-F321 HydrophobicContact CE1-CG 4.34Å; F306-F321 HydrophobicContact CZ-CD1 4.49Å; Y317-F321 HydrophobicContact CD1-CE2 4.36Å; Y317-F321 HydrophobicContact CD2-CE2 4.4Å; Y317-F321 HydrophobicContact CG-CD2 4.12Å; Y317-F321 HydrophobicContact CG-CE2 4.2Å; Y317-F321 VanDerWaalsContact O-CB 3.29Å; Y317-F321 WeakPolarHBondContact O-CB 3.38Å; Y317-F321 PolarHBondContact O-N 2.93Å; F321-L349 HydrophobicContact CB-CD1 3.96Å; F321-V353 HydrophobicContact CB-CG2 3.69Å; F321-V353 HydrophobicContact CG-CG2 4.46Å
322	T	97.4	Very high	95.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.214	C	C	.	.			trans	-133.7	158.6	-175	83	0	0	0	0	112.5	R45 L318 L324 L349 E352	R45-T322 PolarHBondContact NH1-O 3.2Å; L318-T322 HydrophobicContact CD2-CG2 4.2Å; L318-T322 WeakPolarHBondContact O-CB 3.3Å; L318-T322 PolarHBondContact O-N 2.87Å; L318-T322 PolarHBondContact O-OG1 3.38Å; T322-L324 VanDerWaalsContact C-N 3.29Å; T322-L324 WeakPolarHBondContact OG1-CB 3.24Å; T322-L324 WeakPolarHBondContact OG1-CG 3.23Å; T322-L324 PolarHBondContact OG1-N 2.97Å; T322-L349 HydrophobicContact CG2-CD1 3.91Å; T322-E352 HydrophobicContact CG2-CB 3.74Å; T322-E352 HydrophobicContact CG2-CG 4.13Å
323	F	96	Very high	95.9	Very high	24 Å²	24	37.2 Å²	37.2	11%	0.105	19%	0.189	C	C	.	.			trans	-89.8	10.2	173.3	-56.6	-75.6	0	0	0	113.1	L96 F99 H100 H155 F159 L356	L96-F323 HydrophobicContact CD2-CE1 4Å; L96-F323 HydrophobicContact CD2-CE2 3.9Å; L96-F323 HydrophobicContact CD2-CZ 3.49Å; L96-F323 VanDerWaalsContact CD2-CZ 3.49Å; F99-F323 HydrophobicContact CB-CE1 3.83Å; F99-F323 HydrophobicContact CB-CZ 3.67Å; F99-F323 HydrophobicContact CD2-CZ 4.13Å; F99-F323 HydrophobicContact CG-CZ 4.31Å; H100-F323 AromaticContact CE1-CD1 3.51Å; H100-F323 AromaticContact ND1-CD1 3.9Å; H100-F323 AromaticContact NE2-CD1 3.74Å; H155-F323 AromaticContact CD2-CE2 3.6Å; H155-F323 AromaticContact CD2-CZ 3.43Å; H155-F323 VanDerWaalsContact CD2-CZ 3.43Å; H155-F323 WeakPolarHBondContact CD2-CZ 3.39Å; H155-F323 AromaticContact NE2-CE1 3.86Å; H155-F323 AromaticContact NE2-CZ 3.56Å; F159-F323 HydrophobicContact CB-CD2 4.34Å; F159-F323 HydrophobicContact CD1-CB 4.47Å; F159-F323 AromaticContact CD1-CD2 3.46Å; F159-F323 HydrophobicContact CD1-CD2 3.46Å; F159-F323 VanDerWaalsContact CD1-CD2 3.46Å; F159-F323 HydrophobicContact CD1-CE2 4.13Å; F159-F323 HydrophobicContact CD1-CG 4.35Å; F159-F323 AromaticContact CE1-CD2 3.79Å; F159-F323 HydrophobicContact CE1-CD2 3.79Å; F159-F323 HydrophobicContact CE1-CE2 4.36Å; F159-F323 AromaticContact CG-CD2 3.94Å; F159-F323 HydrophobicContact CG-CD2 3.94Å; F159-F323 HydrophobicContact CG-CE2 4.25Å; F323-L356 HydrophobicContact CE2-CD1 4.26Å; F323-L356 HydrophobicContact CE2-CD2 4.14Å
324	L	95.6	Very high	96.2	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.052	21%	0.21	C	C	.	.			trans	-64.3	134.8	-178.2	-59.1	-177	0	0	0	111	R45 L318 T322 I329 I332 R348 E352	R45-L324 PolarHBondContact NH1-O 2.69Å; R45-L324 VanDerWaalsContact NH1-O 3.12Å; R45-L324 PolarHBondContact NH2-O 3Å; L318-L324 HydrophobicContact CD2-CD1 4.18Å; T322-L324 VanDerWaalsContact C-N 3.29Å; T322-L324 WeakPolarHBondContact OG1-CB 3.24Å; T322-L324 WeakPolarHBondContact OG1-CG 3.23Å; T322-L324 PolarHBondContact OG1-N 2.97Å; L324-I329 HydrophobicContact CB-CD1 4.24Å; L324-I329 HydrophobicContact CB-CG1 3.88Å; L324-I332 HydrophobicContact CD1-CD1 3.81Å; L324-R348 HydrophobicContact CD1-CG 3.92Å; L324-E352 HydrophobicContact CD1-CG 4.33Å; L324-E352 HydrophobicContact CD2-CG 4.31Å; L324-E352 HydrophobicContact CG-CG 4.36Å
325	P	93.6	Very high	96.3	Very high	70 Å²	70	46.2 Å²	46.2	46%	0.455	23%	0.231	S	C	.	.			trans	-55.9	144.4	172.3	-23.9	34.4	0	0	0	111.8	P327 E328 I329	P325-P327 VanDerWaalsContact C-CD 3.5Å; P325-P327 VanDerWaalsContact C-N 3.34Å; P325-E328 HydrophobicContact CB-CB 4.42Å; P325-E328 WeakPolarHBondContact CD-OE2 3.36Å; P325-E328 WeakPolarHBondContact O-CB 3.49Å; P325-E328 PolarHBondContact O-N 3.25Å; P325-I329 PolarHBondContact O-N 3.42Å; P325-I329 VanDerWaalsContact O-N 3.08Å
326	L	93.5	Very high	96.3	Very high	47 Å²	47	43.3 Å²	43.3	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-53.4	-43.5	178.2	-66.5	176.2	0	0	0	113	A44 R45 K319 E328 I329 D330	A44-L326 HydrophobicContact CB-CD1 3.98Å; R45-L326 HydrophobicContact CG-CD2 3.84Å; K319-L326 HydrophobicContact CD-CD2 4.39Å; K319-L326 HydrophobicContact CG-CD2 4.01Å; L326-E328 VanDerWaalsContact C-N 3.26Å; L326-E328 PolarHBondContact O-N 2.97Å; L326-I329 HydrophobicContact CD2-CD1 4.38Å; L326-I329 WeakPolarHBondContact O-CB 3.32Å; L326-I329 PolarHBondContact O-N 2.85Å; L326-I329 VanDerWaalsContact O-N 3.08Å; L326-D330 VanDerWaalsContact O-CG 3.28Å; L326-D330 PolarHBondContact O-N 2.85Å
327	P	94.4	Very high	96.3	Very high	92 Å²	92	43.6 Å²	43.6	60%	0.597	23%	0.231	S	C	*	.	H	α-helix	trans	-62.3	-30.4	176.3	-24.3	35.4	0	0	0	114.1	P325 H331	P325-P327 VanDerWaalsContact C-CD 3.5Å; P325-P327 VanDerWaalsContact C-N 3.34Å; P327-H331 PolarHBondContact O-N 3.31Å
328	E	96	Very high	96.3	Very high	66 Å²	66	51 Å²	51	31%	0.308	26%	0.263	S	S	.	.	H	α-helix	trans	-71.6	-39.4	175.3	-171.9	-178.9	165.2	0	0	110.7	P325 L326 D330 H331 I332 R348	P325-E328 HydrophobicContact CB-CB 4.42Å; P325-E328 WeakPolarHBondContact CD-OE2 3.36Å; P325-E328 WeakPolarHBondContact O-CB 3.49Å; P325-E328 PolarHBondContact O-N 3.25Å; L326-E328 VanDerWaalsContact C-N 3.26Å; L326-E328 PolarHBondContact O-N 2.97Å; E328-D330 VanDerWaalsContact C-N 3.34Å; E328-H331 PolarHBondContact O-N 3.3Å; E328-I332 HydrophobicContact CG-CD1 4.12Å; E328-I332 WeakPolarHBondContact O-CD1 3.34Å; E328-I332 VanDerWaalsContact O-CG1 3.26Å; E328-I332 WeakPolarHBondContact O-CG1 3.36Å; E328-I332 PolarHBondContact O-N 3.24Å; E328-R348 IonicContact OE1-CZ 3.36Å; E328-R348 IonicContact OE1-NH1 3.71Å; E328-R348 PolarHBondContact OE1-NH1 3.25Å; E328-R348 IonicContact OE1-NH2 2.77Å; E328-R348 PolarHBondContact OE1-NH2 3.46Å
329	I	97.3	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-45.7	173.4	-63.3	173.3	0	0	0	110	E315 L318 K319 L324 P325 L326 H331 I332 M333	E315-I329 HydrophobicContact CG-CG2 4.29Å; L318-I329 HydrophobicContact CB-CD1 4.17Å; L318-I329 HydrophobicContact CB-CG1 4.21Å; L318-I329 HydrophobicContact CB-CG2 3.98Å; L318-I329 HydrophobicContact CD1-CG2 4.25Å; K319-I329 HydrophobicContact CB-CD1 4.48Å; K319-I329 HydrophobicContact CG-CD1 3.88Å; K319-I329 HydrophobicContact CG-CG2 4.33Å; L324-I329 HydrophobicContact CB-CD1 4.24Å; L324-I329 HydrophobicContact CB-CG1 3.88Å; P325-I329 PolarHBondContact O-N 3.42Å; P325-I329 VanDerWaalsContact O-N 3.08Å; L326-I329 HydrophobicContact CD2-CD1 4.38Å; L326-I329 WeakPolarHBondContact O-CB 3.32Å; L326-I329 PolarHBondContact O-N 2.85Å; L326-I329 VanDerWaalsContact O-N 3.08Å; I329-H331 VanDerWaalsContact C-N 3.31Å; I329-H331 PolarHBondContact O-N 3.42Å; I329-I332 WeakPolarHBondContact O-CB 3.44Å; I329-I332 PolarHBondContact O-N 3.3Å; I329-M333 HydrophobicContact CG2-CG 4.42Å; I329-M333 WeakPolarHBondContact O-CG 3.34Å; I329-M333 PolarHBondContact O-N 3.25Å
330	D	96.9	Very high	96	Very high	74 Å²	74	54.9 Å²	54.9	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-43.1	177.9	-61.9	-25.3	0	0	0	111.2	L326 E328 M333 Q334	L326-D330 VanDerWaalsContact O-CG 3.28Å; L326-D330 PolarHBondContact O-N 2.85Å; E328-D330 VanDerWaalsContact C-N 3.34Å; D330-M333 PolarHBondContact O-N 3.41Å; D330-Q334 WeakPolarHBondContact O-CG 3.27Å; D330-Q334 PolarHBondContact O-N 3.11Å
331	H	97.3	Very high	95.8	Very high	104 Å²	104	61.2 Å²	61.2	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175.5	-177.7	64.6	0	0	0	112.9	P327 E328 I329 M333 Q334 L335	P327-H331 PolarHBondContact O-N 3.31Å; E328-H331 PolarHBondContact O-N 3.3Å; I329-H331 VanDerWaalsContact C-N 3.31Å; I329-H331 PolarHBondContact O-N 3.42Å; H331-M333 VanDerWaalsContact C-N 3.27Å; H331-M333 PolarHBondContact O-N 3.27Å; H331-Q334 PolarHBondContact O-N 3.24Å; H331-L335 PolarHBondContact O-N 3.43Å; H331-L335 VanDerWaalsContact O-N 3.13Å
332	I	97.8	Very high	95.6	Very high	19 Å²	19	68 Å²	68	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-58.2	-42.9	175.2	-70.8	159.4	0	0	0	110.3	L318 L324 E328 I329 L335 H336 A345 R348	L318-I332 HydrophobicContact CD1-CG2 4.03Å; L324-I332 HydrophobicContact CD1-CD1 3.81Å; E328-I332 HydrophobicContact CG-CD1 4.12Å; E328-I332 WeakPolarHBondContact O-CD1 3.34Å; E328-I332 VanDerWaalsContact O-CG1 3.26Å; E328-I332 WeakPolarHBondContact O-CG1 3.36Å; E328-I332 PolarHBondContact O-N 3.24Å; I329-I332 WeakPolarHBondContact O-CB 3.44Å; I329-I332 PolarHBondContact O-N 3.3Å; I332-L335 PolarHBondContact O-N 2.88Å; I332-H336 WeakPolarHBondContact O-CB 3.38Å; I332-H336 PolarHBondContact O-N 3.01Å; I332-A345 HydrophobicContact CG2-CB 3.82Å; I332-R348 HydrophobicContact CD1-CG 3.94Å
333	M	98	Very high	95.5	Very high	26 Å²	26	71.8 Å²	71.8	13%	0.128	36%	0.355	C	S	.	.	H	α-helix	trans	-69.1	-37	179.5	-68	-49.5	-57.5	0	0	112.6	V314 E315 L318 I329 D330 H331 L335 H336 V337 A345	V314-M333 HydrophobicContact CG1-CE 3.87Å; V314-M333 HydrophobicContact CG1-SD 3.92Å; E315-M333 HydrophobicContact CB-CE 3.97Å; E315-M333 HydrophobicContact CB-CG 4.01Å; E315-M333 HydrophobicContact CB-SD 3.83Å; E315-M333 HydrophobicContact CG-CG 3.81Å; E315-M333 HydrophobicContact CG-SD 4.3Å; L318-M333 HydrophobicContact CD1-SD 4.12Å; I329-M333 HydrophobicContact CG2-CG 4.42Å; I329-M333 WeakPolarHBondContact O-CG 3.34Å; I329-M333 PolarHBondContact O-N 3.25Å; D330-M333 PolarHBondContact O-N 3.41Å; H331-M333 VanDerWaalsContact C-N 3.27Å; H331-M333 PolarHBondContact O-N 3.27Å; M333-L335 VanDerWaalsContact C-N 3.3Å; M333-L335 PolarHBondContact O-N 3.25Å; M333-H336 HydrophobicContact CE-CB 4.44Å; M333-H336 PolarHBondContact O-N 2.88Å; M333-V337 WeakPolarHBondContact O-CG2 3.3Å; M333-V337 PolarHBondContact O-N 2.99Å; M333-A345 HydrophobicContact SD-CB 3.98Å
334	Q	97.4	Very high	95.5	Very high	123 Å²	123	72.5 Å²	72.5	58%	0.575	37%	0.37	S	S	*	.	H	α-helix	trans	-60.3	-38.7	173.2	-73.7	173.8	3.6	0	0	112.5	D330 H331 K338	D330-Q334 WeakPolarHBondContact O-CG 3.27Å; D330-Q334 PolarHBondContact O-N 3.11Å; H331-Q334 PolarHBondContact O-N 3.24Å; Q334-K338 WeakPolarHBondContact O-CG 3.42Å
335	L	96.3	Very high	95.6	Very high	85 Å²	85	72.1 Å²	72.1	45%	0.445	37%	0.368	S	S	.	.	H	α-helix	trans	-70.5	-41.6	173.7	-67.5	175.4	0	0	0	111.4	H331 I332 M333 V337 K338 E339	H331-L335 PolarHBondContact O-N 3.43Å; H331-L335 VanDerWaalsContact O-N 3.13Å; I332-L335 PolarHBondContact O-N 2.88Å; M333-L335 VanDerWaalsContact C-N 3.3Å; M333-L335 PolarHBondContact O-N 3.25Å; L335-V337 VanDerWaalsContact C-N 3.32Å; L335-V337 PolarHBondContact O-N 3.42Å; L335-K338 WeakPolarHBondContact O-CB 3.47Å; L335-K338 PolarHBondContact O-N 3.25Å; L335-K338 VanDerWaalsContact O-N 3.09Å; L335-E339 PolarHBondContact O-N 3.47Å
336	H	96.8	Very high	95.8	Very high	10 Å²	10	68.8 Å²	68.8	5%	0.046	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-39.5	178.8	-171.5	74	0	0	0	112.7	D311 I332 M333 K338 E339 P340 A345 Q346	D311-H336 IonicContact OD1-CE1 3.42Å; D311-H336 PolarHBondContact OD1-CE1 3.31Å; D311-H336 VanDerWaalsContact OD1-CE1 3.24Å; D311-H336 IonicContact OD1-NE2 2.56Å; D311-H336 PolarHBondContact OD1-NE2 2.94Å; I332-H336 WeakPolarHBondContact O-CB 3.38Å; I332-H336 PolarHBondContact O-N 3.01Å; M333-H336 HydrophobicContact CE-CB 4.44Å; M333-H336 PolarHBondContact O-N 2.88Å; H336-K338 PolarHBondContact O-N 2.66Å; H336-E339 CarbonylContact O-C 3.56Å; H336-E339 PolarHBondContact O-N 2.99Å; H336-P340 WeakPolarHBondContact O-CA 3.17Å; H336-P340 WeakPolarHBondContact O-CD 3.1Å; H336-A345 HydrophobicContact CB-CB 4.03Å; H336-Q346 PolarHBondContact CE1-OE1 2.91Å
337	V	95.9	Very high	96	Very high	114 Å²	114	71.3 Å²	71.3	69%	0.691	36%	0.356	S	S	*	.	H	α-helix	trans	-63.1	-31	176.2	169.9	0	0	0	0	112.1	M333 L335	M333-V337 WeakPolarHBondContact O-CG2 3.3Å; M333-V337 PolarHBondContact O-N 2.99Å; L335-V337 VanDerWaalsContact C-N 3.32Å; L335-V337 PolarHBondContact O-N 3.42Å
338	K	96	Very high	96.2	Very high	162 Å²	162	70.5 Å²	70.5	70%	0.704	34%	0.34	S	S	*	.	H	α-helix	trans	-77.6	-34.6	179	-67	176	-178	-179.5	0	112.8	Q334 L335 H336	Q334-K338 WeakPolarHBondContact O-CG 3.42Å; L335-K338 WeakPolarHBondContact O-CB 3.47Å; L335-K338 PolarHBondContact O-N 3.25Å; L335-K338 VanDerWaalsContact O-N 3.09Å; H336-K338 PolarHBondContact O-N 2.66Å
339	E	94.7	Very high	96.3	Very high	73 Å²	73	67.3 Å²	67.3	34%	0.341	33%	0.326	S	S	.	.			trans	-138.8	59.9	-173.2	-59.5	-179.1	146.6	0	0	111.4	L335 H336 E341 R342	L335-E339 PolarHBondContact O-N 3.47Å; H336-E339 CarbonylContact O-C 3.56Å; H336-E339 PolarHBondContact O-N 2.99Å; E339-E341 VanDerWaalsContact C-OE2 3.22Å; E339-E341 WeakPolarHBondContact CA-OE2 3.26Å; E339-E341 PolarHBondContact O-N 3.27Å; E339-R342 HydrophobicContact CB-CB 4.45Å; E339-R342 HydrophobicContact CB-CG 4.11Å; E339-R342 WeakPolarHBondContact O-CB 3.4Å; E339-R342 PolarHBondContact O-N 3.27Å; E339-R342 VanDerWaalsContact O-N 3.1Å; E339-R342 IonicContact OE1-CZ 2.8Å; E339-R342 IonicContact OE1-NE 3.24Å; E339-R342 IonicContact OE1-NH1 3.05Å; E339-R342 PolarHBondContact OE1-NH1 2.95Å; E339-R342 VanDerWaalsContact OE1-NH1 3.08Å; E339-R342 IonicContact OE1-NH2 3.11Å; E339-R342 PolarHBondContact OE1-NH2 3.07Å; E339-R342 WeakPolarHBondContact OE2-CD 3.43Å; E339-R342 IonicContact OE2-CZ 3.14Å; E339-R342 IonicContact OE2-NE 3.69Å; E339-R342 PolarHBondContact OE2-NE 3.46Å; E339-R342 IonicContact OE2-NH1 3.78Å; E339-R342 PolarHBondContact OE2-NH1 3.26Å
340	P	92.7	Very high	96.4	Very high	50 Å²	50	67.3 Å²	67.3	33%	0.325	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.3	-30.7	-173.6	24.8	-34.3	0	0	0	112.7	H336 R342 R343	H336-P340 WeakPolarHBondContact O-CA 3.17Å; H336-P340 WeakPolarHBondContact O-CD 3.1Å; P340-R342 PolarHBondContact O-N 3Å; P340-R343 PolarHBondContact O-N 3.38Å
341	E	92.2	Very high	96.4	Very high	134 Å²	134	64.5 Å²	64.5	63%	0.626	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.7	-24.2	177.6	74.4	-67.7	160.7	0	0	113.3	E339 R343	E339-E341 VanDerWaalsContact C-OE2 3.22Å; E339-E341 WeakPolarHBondContact CA-OE2 3.26Å; E339-E341 PolarHBondContact O-N 3.27Å; E341-R343 VanDerWaalsContact C-N 3.26Å; E341-R343 PolarHBondContact O-N 3.32Å
342	R	92.6	Very high	96.5	Very high	143 Å²	143	60.4 Å²	60.4	54%	0.54	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-75.5	-16.7	176.2	-66.6	-171.2	176.8	179.9	-3.7	113.1	E339 P340 G344 K347	E339-R342 HydrophobicContact CB-CB 4.45Å; E339-R342 HydrophobicContact CB-CG 4.11Å; E339-R342 WeakPolarHBondContact O-CB 3.4Å; E339-R342 PolarHBondContact O-N 3.27Å; E339-R342 VanDerWaalsContact O-N 3.1Å; E339-R342 IonicContact OE1-CZ 2.8Å; E339-R342 IonicContact OE1-NE 3.24Å; E339-R342 IonicContact OE1-NH1 3.05Å; E339-R342 PolarHBondContact OE1-NH1 2.95Å; E339-R342 VanDerWaalsContact OE1-NH1 3.08Å; E339-R342 IonicContact OE1-NH2 3.11Å; E339-R342 PolarHBondContact OE1-NH2 3.07Å; E339-R342 WeakPolarHBondContact OE2-CD 3.43Å; E339-R342 IonicContact OE2-CZ 3.14Å; E339-R342 IonicContact OE2-NE 3.69Å; E339-R342 PolarHBondContact OE2-NE 3.46Å; E339-R342 IonicContact OE2-NH1 3.78Å; E339-R342 PolarHBondContact OE2-NH1 3.26Å; P340-R342 PolarHBondContact O-N 3Å; R342-G344 VanDerWaalsContact C-N 3.26Å; R342-G344 PolarHBondContact O-N 3.48Å; R342-K347 WeakPolarHBondContact O-CE 3.25Å; R342-K347 PolarHBondContact O-NZ 2.64Å
343	R	94.4	Very high	96.5	Very high	81 Å²	81	59.5 Å²	59.5	31%	0.306	29%	0.289	S	S	.	.			trans	52.8	41.9	-178.2	-53.3	-169	77.6	159.6	8.9	112.9	V307 R308 Q309 P340 E341 Q346 K347	V307-R343 PolarHBondContact O-NE 3.31Å; V307-R343 PolarHBondContact O-NH2 2.87Å; R308-R343 PolarHBondContact O-NH2 3Å; Q309-R343 PolarHBondContact O-NH2 2.89Å; P340-R343 PolarHBondContact O-N 3.38Å; E341-R343 VanDerWaalsContact C-N 3.26Å; E341-R343 PolarHBondContact O-N 3.32Å; R343-Q346 VanDerWaalsContact C-OE1 3.32Å; R343-Q346 HydrophobicContact CB-CB 4.42Å; R343-Q346 PolarHBondContact O-N 3.19Å; R343-Q346 PolarHBondContact O-OE1 2.92Å; R343-K347 WeakPolarHBondContact O-CB 3.27Å; R343-K347 VanDerWaalsContact O-CG 3.31Å; R343-K347 WeakPolarHBondContact O-CG 3.44Å; R343-K347 PolarHBondContact O-N 2.92Å
344	G	96.4	Very high	96.5	Very high	40 Å²	40	58.3 Å²	58.3	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-45.6	-175.1	0	0	0	0	0	112.4	R342 K347 R348	R342-G344 VanDerWaalsContact C-N 3.26Å; R342-G344 PolarHBondContact O-N 3.48Å; G344-K347 PolarHBondContact O-N 3.29Å; G344-R348 PolarHBondContact O-N 3.26Å
345	A	97.9	Very high	96.6	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-44.5	178.4	0	0	0	0	0	112.1	V314 L318 I332 M333 H336 R348 L349	V314-A345 HydrophobicContact CB-CB 4.44Å; V314-A345 HydrophobicContact CG1-CB 3.8Å; V314-A345 HydrophobicContact CG2-CB 3.7Å; L318-A345 HydrophobicContact CD1-CB 4.14Å; I332-A345 HydrophobicContact CG2-CB 3.82Å; M333-A345 HydrophobicContact SD-CB 3.98Å; H336-A345 HydrophobicContact CB-CB 4.03Å; A345-R348 PolarHBondContact O-N 3.35Å; A345-L349 WeakPolarHBondContact O-CB 3.35Å; A345-L349 PolarHBondContact O-N 3.41Å
346	Q	98	Very high	96.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-40	-179.8	-63.3	86	-13.4	0	0	112	V307 Q309 D311 V314 H336 R343 R348 L349 A350	V307-Q346 WeakPolarHBondContact O-CB 3.34Å; Q309-Q346 PolarHBondContact O-NE2 2.93Å; D311-Q346 PolarHBondContact OD1-NE2 3.46Å; V314-Q346 HydrophobicContact CB-CG 4.26Å; V314-Q346 HydrophobicContact CG2-CB 4.32Å; V314-Q346 HydrophobicContact CG2-CG 3.74Å; H336-Q346 PolarHBondContact CE1-OE1 2.91Å; R343-Q346 VanDerWaalsContact C-OE1 3.32Å; R343-Q346 HydrophobicContact CB-CB 4.42Å; R343-Q346 PolarHBondContact O-N 3.19Å; R343-Q346 PolarHBondContact O-OE1 2.92Å; Q346-R348 VanDerWaalsContact C-N 3.31Å; Q346-R348 PolarHBondContact O-N 2.89Å; Q346-L349 PolarHBondContact O-N 2.9Å; Q346-A350 VanDerWaalsContact O-CB 3.27Å; Q346-A350 WeakPolarHBondContact O-CB 3.26Å; Q346-A350 PolarHBondContact O-N 2.88Å
347	K	97.6	Very high	96.7	Very high	101 Å²	101	50.8 Å²	50.8	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-62.5	-39.7	174.4	-74.6	169.7	179.4	165	0	111.3	V307 R342 R343 G344 A351	V307-K347 HydrophobicContact CG2-CG 4.49Å; R342-K347 WeakPolarHBondContact O-CE 3.25Å; R342-K347 PolarHBondContact O-NZ 2.64Å; R343-K347 WeakPolarHBondContact O-CB 3.27Å; R343-K347 VanDerWaalsContact O-CG 3.31Å; R343-K347 WeakPolarHBondContact O-CG 3.44Å; R343-K347 PolarHBondContact O-N 2.92Å; G344-K347 PolarHBondContact O-N 3.29Å; K347-A351 VanDerWaalsContact O-CB 3.27Å; K347-A351 WeakPolarHBondContact O-CB 3.38Å; K347-A351 PolarHBondContact O-N 3.38Å
348	R	98.3	Very high	96.8	Very high	74 Å²	74	46.7 Å²	46.7	28%	0.279	22%	0.219	S	C	.	.	H	α-helix	trans	-65	-48.1	175.2	-178	57.6	178.2	-78.4	8.4	111.5	L318 L324 E328 I332 G344 A345 Q346 A350 A351 E352	L318-R348 HydrophobicContact CD2-CG 4.41Å; L324-R348 HydrophobicContact CD1-CG 3.92Å; E328-R348 IonicContact OE1-CZ 3.36Å; E328-R348 IonicContact OE1-NH1 3.71Å; E328-R348 PolarHBondContact OE1-NH1 3.25Å; E328-R348 IonicContact OE1-NH2 2.77Å; E328-R348 PolarHBondContact OE1-NH2 3.46Å; I332-R348 HydrophobicContact CD1-CG 3.94Å; G344-R348 PolarHBondContact O-N 3.26Å; A345-R348 PolarHBondContact O-N 3.35Å; Q346-R348 VanDerWaalsContact C-N 3.31Å; Q346-R348 PolarHBondContact O-N 2.89Å; R348-A350 PolarHBondContact O-N 2.96Å; R348-A351 PolarHBondContact O-N 3.29Å; R348-E352 IonicContact CZ-OE1 3.53Å; R348-E352 IonicContact NE-OE1 3.37Å; R348-E352 PolarHBondContact NE-OE1 2.85Å; R348-E352 IonicContact NH2-OE1 2.91Å; R348-E352 PolarHBondContact NH2-OE1 3.24Å; R348-E352 WeakPolarHBondContact O-CG 3.44Å; R348-E352 PolarHBondContact O-N 3.42Å
349	L	98.5	Very high	96.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.1	-52.4	175.4	172.7	62.4	0	0	0	111.5	F306 V314 Y317 L318 F321 T322 A345 Q346 A351 E352 V353	F306-L349 HydrophobicContact CB-CG 4.32Å; F306-L349 HydrophobicContact CD1-CD1 4.31Å; F306-L349 HydrophobicContact CD1-CD2 3.81Å; F306-L349 HydrophobicContact CD1-CG 3.83Å; F306-L349 HydrophobicContact CG-CG 4.36Å; V314-L349 HydrophobicContact CG2-CD2 4.14Å; Y317-L349 VanDerWaalsContact CB-CD2 3.49Å; Y317-L349 HydrophobicContact CD2-CD2 4.21Å; Y317-L349 HydrophobicContact CG-CD2 4.39Å; L318-L349 HydrophobicContact CD2-CB 3.78Å; L318-L349 HydrophobicContact CD2-CD1 4.4Å; L318-L349 HydrophobicContact CG-CB 4.27Å; F321-L349 HydrophobicContact CB-CD1 3.96Å; T322-L349 HydrophobicContact CG2-CD1 3.91Å; A345-L349 WeakPolarHBondContact O-CB 3.35Å; A345-L349 PolarHBondContact O-N 3.41Å; Q346-L349 PolarHBondContact O-N 2.9Å; L349-A351 VanDerWaalsContact C-N 3.28Å; L349-A351 PolarHBondContact O-N 2.92Å; L349-E352 PolarHBondContact O-N 3.2Å; L349-V353 HydrophobicContact CD1-CG2 4Å; L349-V353 WeakPolarHBondContact O-CG2 3.47Å; L349-V353 PolarHBondContact O-N 2.82Å
350	A	98.1	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-41.2	178.6	0	0	0	0	0	111.7	Y303 F306 V307 Q346 R348 T354	Y303-A350 HydrophobicContact CD1-CB 4.48Å; Y303-A350 HydrophobicContact CD2-CB 3.52Å; Y303-A350 HydrophobicContact CE2-CB 3.55Å; Y303-A350 HydrophobicContact CG-CB 4.01Å; Y303-A350 WeakPolarHBondContact O-CB 3.42Å; F306-A350 HydrophobicContact CB-CB 3.62Å; V307-A350 HydrophobicContact CG2-CB 3.65Å; Q346-A350 VanDerWaalsContact O-CB 3.27Å; Q346-A350 WeakPolarHBondContact O-CB 3.26Å; Q346-A350 PolarHBondContact O-N 2.88Å; R348-A350 PolarHBondContact O-N 2.96Å; A350-T354 VanDerWaalsContact O-CB 3.25Å; A350-T354 WeakPolarHBondContact O-CB 3.5Å; A350-T354 PolarHBondContact O-N 3.29Å; A350-T354 PolarHBondContact O-OG1 3.07Å
351	A	98.5	Very high	97.1	Very high	14 Å²	14	49.1 Å²	49.1	12%	0.116	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-46.1	178	0	0	0	0	0	112.7	Y303 K347 R348 L349 K355 L363	Y303-A351 HydrophobicContact CE2-CB 4.37Å; K347-A351 VanDerWaalsContact O-CB 3.27Å; K347-A351 WeakPolarHBondContact O-CB 3.38Å; K347-A351 PolarHBondContact O-N 3.38Å; R348-A351 PolarHBondContact O-N 3.29Å; L349-A351 VanDerWaalsContact C-N 3.28Å; L349-A351 PolarHBondContact O-N 2.92Å; A351-K355 WeakPolarHBondContact O-CB 3.44Å; A351-K355 PolarHBondContact O-N 3.22Å; A351-L363 HydrophobicContact CB-CD1 3.97Å; A351-L363 HydrophobicContact CB-CD2 4.15Å
352	E	98.5	Very high	97.3	Very high	19 Å²	19	42.8 Å²	42.8	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-44	179	-66.1	-58.2	155.5	0	0	111.6	F159 T322 L324 R348 L349 K355 L356	F159-E352 VanDerWaalsContact CE1-OE2 3.27Å; F159-E352 WeakPolarHBondContact CE1-OE2 3.45Å; T322-E352 HydrophobicContact CG2-CB 3.74Å; T322-E352 HydrophobicContact CG2-CG 4.13Å; L324-E352 HydrophobicContact CD1-CG 4.33Å; L324-E352 HydrophobicContact CD2-CG 4.31Å; L324-E352 HydrophobicContact CG-CG 4.36Å; R348-E352 IonicContact CZ-OE1 3.53Å; R348-E352 IonicContact NE-OE1 3.37Å; R348-E352 PolarHBondContact NE-OE1 2.85Å; R348-E352 IonicContact NH2-OE1 2.91Å; R348-E352 PolarHBondContact NH2-OE1 3.24Å; R348-E352 WeakPolarHBondContact O-CG 3.44Å; R348-E352 PolarHBondContact O-N 3.42Å; L349-E352 PolarHBondContact O-N 3.2Å; E352-K355 IonicContact OE1-NZ 2.84Å; E352-K355 WeakPolarHBondContact OE2-CE 3.23Å; E352-K355 IonicContact OE2-NZ 3.25Å; E352-K355 PolarHBondContact OE2-NZ 2.78Å; E352-L356 PolarHBondContact O-N 2.74Å
353	V	98.3	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-45.8	-178.2	-178.4	0	0	0	0	111.9	L92 F306 F321 L349 K355 L356 V357	L92-V353 HydrophobicContact CD2-CG1 3.8Å; F306-V353 HydrophobicContact CD2-CB 4.05Å; F306-V353 HydrophobicContact CD2-CG1 3.99Å; F306-V353 HydrophobicContact CE1-CG2 4.27Å; F306-V353 HydrophobicContact CE2-CB 3.86Å; F306-V353 HydrophobicContact CE2-CG1 3.33Å; F306-V353 HydrophobicContact CE2-CG2 4.24Å; F306-V353 HydrophobicContact CZ-CB 4.21Å; F306-V353 HydrophobicContact CZ-CG1 3.69Å; F306-V353 HydrophobicContact CZ-CG2 4.11Å; F321-V353 HydrophobicContact CB-CG2 3.69Å; F321-V353 HydrophobicContact CG-CG2 4.46Å; L349-V353 HydrophobicContact CD1-CG2 4Å; L349-V353 WeakPolarHBondContact O-CG2 3.47Å; L349-V353 PolarHBondContact O-N 2.82Å; V353-K355 VanDerWaalsContact C-N 3.28Å; V353-K355 PolarHBondContact O-N 2.98Å; V353-L356 WeakPolarHBondContact O-CB 3.37Å; V353-L356 PolarHBondContact O-N 3.23Å; V353-L356 VanDerWaalsContact O-N 3.15Å; V353-V357 HydrophobicContact CG1-CG2 4.17Å; V353-V357 WeakPolarHBondContact O-CG2 3.37Å; V353-V357 PolarHBondContact O-N 3.01Å
354	T	98.4	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-37.3	177.5	-60.1	0	0	0	0	111.2	P299 Y303 A350 V357 H358 L363 A366	P299-T354 HydrophobicContact CB-CG2 4.28Å; Y303-T354 WeakPolarHBondContact CA-OG1 3.46Å; Y303-T354 WeakPolarHBondContact CB-OG1 3.42Å; A350-T354 VanDerWaalsContact O-CB 3.25Å; A350-T354 WeakPolarHBondContact O-CB 3.5Å; A350-T354 PolarHBondContact O-N 3.29Å; A350-T354 PolarHBondContact O-OG1 3.07Å; T354-V357 PolarHBondContact O-N 2.75Å; T354-H358 PolarHBondContact O-N 3.49Å; T354-L363 HydrophobicContact CG2-CB 4.3Å; T354-L363 HydrophobicContact CG2-CD1 4.39Å; T354-A366 HydrophobicContact CG2-CB 4.17Å
355	K	98.3	Very high	97.4	Very high	46 Å²	46	33.6 Å²	33.6	20%	0.2	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-39.3	174.3	-176.3	-178.7	66.6	-173.9	0	112.4	L158 F159 A351 E352 V353 G359 L363	L158-K355 HydrophobicContact CB-CG 4.39Å; L158-K355 HydrophobicContact CD1-CG 3.92Å; F159-K355 VanDerWaalsContact CE1-CE 3.44Å; F159-K355 HydrophobicContact CE2-CG 4.32Å; F159-K355 HydrophobicContact CZ-CB 4.38Å; F159-K355 HydrophobicContact CZ-CD 4.31Å; F159-K355 HydrophobicContact CZ-CG 4.26Å; A351-K355 WeakPolarHBondContact O-CB 3.44Å; A351-K355 PolarHBondContact O-N 3.22Å; E352-K355 IonicContact OE1-NZ 2.84Å; E352-K355 WeakPolarHBondContact OE2-CE 3.23Å; E352-K355 IonicContact OE2-NZ 3.25Å; E352-K355 PolarHBondContact OE2-NZ 2.78Å; V353-K355 VanDerWaalsContact C-N 3.28Å; V353-K355 PolarHBondContact O-N 2.98Å; K355-G359 CarbonylContact O-C 3.48Å; K355-G359 WeakPolarHBondContact O-CA 3.46Å; K355-G359 PolarHBondContact O-N 3.3Å; K355-L363 HydrophobicContact CB-CB 4.42Å; K355-L363 HydrophobicContact CB-CD2 4.07Å
356	L	98.4	Very high	97.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-47.7	175.1	178.9	60.7	0	0	0	111.3	L92 L96 F99 L151 N154 H155 F159 F323 E352 V353	L92-L356 HydrophobicContact CD1-CD2 4.19Å; L96-L356 HydrophobicContact CD2-CD2 3.77Å; F99-L356 HydrophobicContact CE2-CD1 4.41Å; L151-L356 HydrophobicContact CD1-CD1 4.41Å; L151-L356 HydrophobicContact CD1-CG 3.99Å; L151-L356 WeakPolarHBondContact CD1-O 3.43Å; N154-L356 WeakPolarHBondContact CB-O 3.45Å; N154-L356 PolarHBondContact ND2-O 2.98Å; N154-L356 VanDerWaalsContact ND2-O 3.1Å; H155-L356 HydrophobicContact CB-CD1 3.8Å; F159-L356 HydrophobicContact CD2-CD1 4.29Å; F159-L356 HydrophobicContact CE2-CB 3.86Å; F159-L356 HydrophobicContact CE2-CD1 3.9Å; F159-L356 HydrophobicContact CE2-CG 4.49Å; F159-L356 HydrophobicContact CZ-CB 3.82Å; F159-L356 HydrophobicContact CZ-CD1 4.47Å; F323-L356 HydrophobicContact CE2-CD1 4.26Å; F323-L356 HydrophobicContact CE2-CD2 4.14Å; E352-L356 PolarHBondContact O-N 2.74Å; V353-L356 WeakPolarHBondContact O-CB 3.37Å; V353-L356 PolarHBondContact O-N 3.23Å; V353-L356 VanDerWaalsContact O-N 3.15Å
357	V	98	Very high	96.9	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.079	17%	0.169	C	C	.	.	H	α-helix	trans	-78.1	-45.7	-171.8	178.6	0	0	0	0	112.6	L92 L151 N154 L292 L302 V353 T354	L92-V357 HydrophobicContact CD2-CG2 4.2Å; L151-V357 HydrophobicContact CD1-CB 4.42Å; L151-V357 HydrophobicContact CD1-CG2 4.13Å; N154-V357 PolarHBondContact ND2-O 2.99Å; L292-V357 HydrophobicContact CB-CG1 3.91Å; L292-V357 HydrophobicContact CD2-CG1 4.09Å; L292-V357 HydrophobicContact CD2-CG2 3.96Å; L292-V357 VanDerWaalsContact O-CG1 3.31Å; L292-V357 WeakPolarHBondContact O-CG1 3.5Å; L302-V357 HydrophobicContact CD2-CB 3.74Å; L302-V357 HydrophobicContact CD2-CG1 3.81Å; L302-V357 HydrophobicContact CD2-CG2 4.03Å; V353-V357 HydrophobicContact CG1-CG2 4.17Å; V353-V357 WeakPolarHBondContact O-CG2 3.37Å; V353-V357 PolarHBondContact O-N 3.01Å; T354-V357 PolarHBondContact O-N 2.75Å
358	H	97.3	Very high	96.6	Very high	29 Å²	29	36.2 Å²	36.2	13%	0.134	16%	0.161	C	C	.	.	H	α-helix	trans	-116.5	12.5	-173	-59.1	-61.1	0	0	0	113.7	L292 P299 L302 T354 G362	L292-H358 PolarHBondContact O-CE1 2.85Å; P299-H358 HydrophobicContact CB-CB 4.27Å; P299-H358 HydrophobicContact CG-CB 4.2Å; L302-H358 WeakPolarHBondContact CD2-NE2 3.29Å; T354-H358 PolarHBondContact O-N 3.49Å; H358-G362 WeakPolarHBondContact O-CA 3.36Å; H358-G362 PolarHBondContact O-N 3.41Å; H358-G362 VanDerWaalsContact O-N 3.15Å
359	G	97.8	Very high	96.1	Very high	6 Å²	6	32.7 Å²	32.7	6%	0.062	15%	0.148	C	C	.	.	H	α-helix	trans	70	-173.7	179.6	0	0	0	0	0	113.6	N154 K355 G362 L363	N154-G359 PolarHBondContact ND2-N 3.34Å; K355-G359 CarbonylContact O-C 3.48Å; K355-G359 WeakPolarHBondContact O-CA 3.46Å; K355-G359 PolarHBondContact O-N 3.3Å; G359-G362 PolarHBondContact O-N 2.89Å; G359-L363 PolarHBondContact O-N 3.41Å; G359-L363 VanDerWaalsContact O-N 3.15Å
360	R	96.7	Very high	95.6	Very high	176 Å²	176	33.7 Å²	33.7	66%	0.664	15%	0.154	S	C	*	.	H	α-helix	trans	-64.7	-43	179.1	-174.2	171.5	-178.4	171.9	0.1	111.9	L158 G362 L363 D364	L158-R360 HydrophobicContact CD2-CB 4.41Å; R360-G362 PolarHBondContact O-N 3.35Å; R360-L363 PolarHBondContact O-N 3.29Å; R360-D364 PolarHBondContact O-N 3.48Å
361	E	95.2	Very high	95	Very high	154 Å²	154	38.4 Å²	38.4	72%	0.72	18%	0.176	S	C	*	.	H	α-helix	trans	-61.6	-43.3	178.5	-65.3	-172.9	168.7	0	0	112.1	L363 D364 S365	E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3.18Å; E361-D364 PolarHBondContact O-N 3.38Å; E361-S365 WeakPolarHBondContact O-CB 3.47Å; E361-S365 PolarHBondContact O-N 3.28Å
362	G	95.8	Very high	94.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-38.2	175.8	0	0	0	0	0	113	P299 H358 G359 R360 A366	P299-G362 VanDerWaalsContact CB-O 3.25Å; P299-G362 WeakPolarHBondContact CB-O 3.27Å; H358-G362 WeakPolarHBondContact O-CA 3.36Å; H358-G362 PolarHBondContact O-N 3.41Å; H358-G362 VanDerWaalsContact O-N 3.15Å; G359-G362 PolarHBondContact O-N 2.89Å; R360-G362 PolarHBondContact O-N 3.35Å; G362-A366 WeakPolarHBondContact O-CB 3.38Å; G362-A366 PolarHBondContact O-N 2.95Å
363	L	97.3	Very high	93.3	Very high	13 Å²	13	39 Å²	39	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-47.3	173.3	174	60.1	0	0	0	112.1	Y303 A351 T354 K355 G359 R360 E361 S365 A366 K367	Y303-L363 HydrophobicContact CD2-CD1 3.96Å; Y303-L363 HydrophobicContact CE2-CD1 3.89Å; A351-L363 HydrophobicContact CB-CD1 3.97Å; A351-L363 HydrophobicContact CB-CD2 4.15Å; T354-L363 HydrophobicContact CG2-CB 4.3Å; T354-L363 HydrophobicContact CG2-CD1 4.39Å; K355-L363 HydrophobicContact CB-CB 4.42Å; K355-L363 HydrophobicContact CB-CD2 4.07Å; G359-L363 PolarHBondContact O-N 3.41Å; G359-L363 VanDerWaalsContact O-N 3.15Å; R360-L363 PolarHBondContact O-N 3.29Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3.18Å; L363-S365 VanDerWaalsContact C-N 3.27Å; L363-S365 PolarHBondContact O-N 3.02Å; L363-A366 PolarHBondContact O-N 2.84Å; L363-K367 HydrophobicContact CD1-CD 4.36Å; L363-K367 HydrophobicContact CD1-CG 4.28Å; L363-K367 HydrophobicContact CG-CD 4.36Å; L363-K367 WeakPolarHBondContact O-CG 3.35Å; L363-K367 PolarHBondContact O-N 2.99Å
364	D	95.6	Very high	92.3	Very high	55 Å²	55	44.5 Å²	44.5	29%	0.294	20%	0.199	S	C	.	.	H	α-helix	trans	-65.1	-38.4	-178.7	-68.5	-22.9	0	0	0	110.5	R360 E361 K367 R368	R360-D364 PolarHBondContact O-N 3.48Å; E361-D364 PolarHBondContact O-N 3.38Å; D364-K367 PolarHBondContact O-N 3.44Å; D364-R368 WeakPolarHBondContact O-CG 3.29Å; D364-R368 PolarHBondContact O-N 3.44Å
365	S	93.4	Very high	91.3	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-52.4	170	174.2	0	0	0	0	112.2	E361 L363 K367 R368 C369 E388	E361-S365 WeakPolarHBondContact O-CB 3.47Å; E361-S365 PolarHBondContact O-N 3.28Å; L363-S365 VanDerWaalsContact C-N 3.27Å; L363-S365 PolarHBondContact O-N 3.02Å; S365-K367 VanDerWaalsContact C-N 3.26Å; S365-K367 PolarHBondContact O-N 3.37Å; S365-R368 PolarHBondContact O-N 2.8Å; S365-R368 VanDerWaalsContact O-N 3.16Å; S365-C369 WeakPolarHBondContact O-CB 3.38Å; S365-C369 PolarHBondContact O-N 2.69Å; S365-C369 PolarHBondContact O-SG 2.91Å; S365-C369 VanDerWaalsContact O-SG 3.34Å; S365-E388 WeakPolarHBondContact CA-OE1 3.36Å; S365-E388 WeakPolarHBondContact CB-OE1 3.43Å; S365-E388 VanDerWaalsContact OG-CG 3.31Å; S365-E388 WeakPolarHBondContact OG-CG 3.38Å; S365-E388 PolarHBondContact OG-OE1 3.39Å
366	A	93.5	Very high	90.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-37.3	178.7	0	0	0	0	0	113	P299 Y303 T354 G362 L363 T370	P299-A366 HydrophobicContact CB-CB 4.26Å; P299-A366 WeakPolarHBondContact O-CB 3.39Å; Y303-A366 HydrophobicContact CD2-CB 4.34Å; Y303-A366 HydrophobicContact CG-CB 3.95Å; T354-A366 HydrophobicContact CG2-CB 4.17Å; G362-A366 WeakPolarHBondContact O-CB 3.38Å; G362-A366 PolarHBondContact O-N 2.95Å; L363-A366 PolarHBondContact O-N 2.84Å; A366-T370 WeakPolarHBondContact O-CB 3.25Å; A366-T370 PolarHBondContact O-N 2.86Å; A366-T370 PolarHBondContact O-OG1 2.86Å
367	K	92.4	Very high	89.6	Confident	84 Å²	84	52.9 Å²	52.9	37%	0.365	25%	0.248	S	C	.	.	H	α-helix	trans	-67.9	-46.1	175.5	-74.3	176.8	178.5	174.1	0	111.9	L363 D364 S365 T370 Q371	L363-K367 HydrophobicContact CD1-CD 4.36Å; L363-K367 HydrophobicContact CD1-CG 4.28Å; L363-K367 HydrophobicContact CG-CD 4.36Å; L363-K367 WeakPolarHBondContact O-CG 3.35Å; L363-K367 PolarHBondContact O-N 2.99Å; D364-K367 PolarHBondContact O-N 3.44Å; S365-K367 VanDerWaalsContact C-N 3.26Å; S365-K367 PolarHBondContact O-N 3.37Å; K367-T370 WeakPolarHBondContact O-CB 3.33Å; K367-T370 PolarHBondContact O-N 3.45Å; K367-Q371 WeakPolarHBondContact O-CG 3.27Å; K367-Q371 PolarHBondContact O-N 3.24Å
368	R	90.9	Very high	88.8	Confident	73 Å²	73	54 Å²	54	28%	0.275	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-50.2	174.2	-77	-172.4	-66.6	-89.3	3.1	111	D364 S365 T370 Q371 A372 E388	D364-R368 WeakPolarHBondContact O-CG 3.29Å; D364-R368 PolarHBondContact O-N 3.44Å; S365-R368 PolarHBondContact O-N 2.8Å; S365-R368 VanDerWaalsContact O-N 3.16Å; R368-T370 VanDerWaalsContact C-N 3.28Å; R368-T370 PolarHBondContact O-N 3.04Å; R368-Q371 WeakPolarHBondContact O-CB 3.31Å; R368-Q371 PolarHBondContact O-N 3.27Å; R368-A372 PolarHBondContact O-N 2.69Å; R368-E388 IonicContact CZ-OE1 2.86Å; R368-E388 IonicContact NE-OE1 3.35Å; R368-E388 PolarHBondContact NE-OE1 3.32Å; R368-E388 VanDerWaalsContact NE-OE1 3.14Å; R368-E388 IonicContact NE-OE2 2.76Å; R368-E388 IonicContact NH2-OE1 2.93Å; R368-E388 PolarHBondContact NH2-OE1 3.34Å
369	C	87.6	Confident	88.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-42.1	175.8	-72.6	0	0	0	0	112.5	F300 S365 L373 M384 L392	F300-C369 HydrophobicContact CB-CB 3.85Å; F300-C369 HydrophobicContact CD2-CB 3.46Å; F300-C369 VanDerWaalsContact CD2-CB 3.46Å; F300-C369 HydrophobicContact CE2-CB 4.2Å; F300-C369 HydrophobicContact CG-CB 3.78Å; S365-C369 WeakPolarHBondContact O-CB 3.38Å; S365-C369 PolarHBondContact O-N 2.69Å; S365-C369 PolarHBondContact O-SG 2.91Å; S365-C369 VanDerWaalsContact O-SG 3.34Å; C369-L373 WeakPolarHBondContact O-CB 3.45Å; C369-L373 PolarHBondContact O-N 2.85Å; C369-M384 VanDerWaalsContact SG-CE 3.6Å; C369-L392 HydrophobicContact CB-CD1 3.92Å; C369-L392 HydrophobicContact CB-CD2 4.25Å; C369-L392 HydrophobicContact CB-CG 4.49Å
370	T	87.2	Confident	87.5	Confident	21 Å²	21	58.2 Å²	58.2	13%	0.129	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-39.5	176.6	-60.5	0	0	0	0	112.3	Q304 A366 K367 R368 Y374 H375	Q304-T370 PolarHBondContact NE2-OG1 2.88Å; A366-T370 WeakPolarHBondContact O-CB 3.25Å; A366-T370 PolarHBondContact O-N 2.86Å; A366-T370 PolarHBondContact O-OG1 2.86Å; K367-T370 WeakPolarHBondContact O-CB 3.33Å; K367-T370 PolarHBondContact O-N 3.45Å; R368-T370 VanDerWaalsContact C-N 3.28Å; R368-T370 PolarHBondContact O-N 3.04Å; T370-Y374 HydrophobicContact CG2-CD2 4.04Å; T370-Y374 WeakPolarHBondContact O-CB 3.41Å; T370-Y374 PolarHBondContact O-N 3.08Å; T370-Y374 VanDerWaalsContact O-N 3.09Å; T370-H375 PolarHBondContact O-ND1 3.17Å
371	Q	85.9	Confident	86.8	Confident	99 Å²	99	50 Å²	50	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-46	176.1	-74.2	177	-19.3	0	0	111.8	K367 R368 H375 S376 S377 A380	K367-Q371 WeakPolarHBondContact O-CG 3.27Å; K367-Q371 PolarHBondContact O-N 3.24Å; R368-Q371 WeakPolarHBondContact O-CB 3.31Å; R368-Q371 PolarHBondContact O-N 3.27Å; Q371-H375 CarbonylContact O-C 3.58Å; Q371-H375 WeakPolarHBondContact O-CA 3.42Å; Q371-H375 VanDerWaalsContact O-CB 3.28Å; Q371-H375 WeakPolarHBondContact O-CB 3.39Å; Q371-H375 PolarHBondContact O-N 3.23Å; Q371-S376 PolarHBondContact O-N 3.34Å; Q371-S377 PolarHBondContact O-N 3.13Å; Q371-A380 HydrophobicContact CB-CB 4.07Å
372	A	82.2	Confident	86.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-53.7	176.4	0	0	0	0	0	111.6	R368 S376 A380 L381 M384 L392 H438	R368-A372 PolarHBondContact O-N 2.69Å; A372-S376 VanDerWaalsContact O-CA 3.28Å; A372-S376 WeakPolarHBondContact O-CA 3.36Å; A372-S376 PolarHBondContact O-N 3.4Å; A372-A380 HydrophobicContact CB-CB 4.21Å; A372-L381 HydrophobicContact CB-CD2 3.67Å; A372-L381 HydrophobicContact CB-CG 3.79Å; A372-M384 HydrophobicContact CB-SD 3.94Å; A372-L392 HydrophobicContact CB-CD2 4.1Å; A372-H438 PolarHBondContact O-NE2 3.25Å
373	L	78.4	Confident	85.8	Confident	44 Å²	44	49.1 Å²	49.1	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-75.9	-46.7	-171.9	-168.4	70.6	0	0	0	113.9	F300 C369 L392 F393 F469	F300-L373 HydrophobicContact CE1-CD2 4.26Å; F300-L373 HydrophobicContact CZ-CD2 3.74Å; C369-L373 WeakPolarHBondContact O-CB 3.45Å; C369-L373 PolarHBondContact O-N 2.85Å; L373-L392 HydrophobicContact CB-CD1 4.07Å; L373-L392 HydrophobicContact CB-CD2 4.37Å; L373-L392 HydrophobicContact CD2-CD1 4.04Å; L373-L392 HydrophobicContact CG-CD1 4.48Å; L373-F393 HydrophobicContact CD1-CE1 3.77Å; L373-F393 HydrophobicContact CD1-CZ 4.17Å; L373-F469 HydrophobicContact CD1-CZ 4.37Å
374	Y	77.8	Confident	85.2	Confident	117 Å²	117	48.9 Å²	48.9	46%	0.459	25%	0.247	S	C	.	.	H	α-helix	trans	-92.1	-22.5	-172.3	-68.9	-76.8	0	0	0	113.8	F300 R308 T370	F300-Y374 HydrophobicContact CE2-CE2 4.2Å; F300-Y374 AromaticContact CZ-CE2 3.98Å; F300-Y374 HydrophobicContact CZ-CE2 3.98Å; R308-Y374 PolarHBondContact NH2-OH 3.21Å; T370-Y374 HydrophobicContact CG2-CD2 4.04Å; T370-Y374 WeakPolarHBondContact O-CB 3.41Å; T370-Y374 PolarHBondContact O-N 3.08Å; T370-Y374 VanDerWaalsContact O-N 3.09Å
375	H	78.1	Confident	84.7	Confident	134 Å²	134	48.8 Å²	48.8	62%	0.62	25%	0.251	S	S	*	.	H	α-helix	trans	-112.8	5	-179.6	-50.5	81.6	0	0	0	112.4	T370 Q371 S377	T370-H375 PolarHBondContact O-ND1 3.17Å; Q371-H375 CarbonylContact O-C 3.58Å; Q371-H375 WeakPolarHBondContact O-CA 3.42Å; Q371-H375 VanDerWaalsContact O-CB 3.28Å; Q371-H375 WeakPolarHBondContact O-CB 3.39Å; Q371-H375 PolarHBondContact O-N 3.23Å; H375-S377 PolarHBondContact O-N 3.27Å; H375-S377 VanDerWaalsContact O-N 3.11Å
376	S	78.8	Confident	84.1	Confident	57 Å²	57	51.4 Å²	51.4	40%	0.399	26%	0.264	S	S	.	.			trans	52.2	33.9	179.2	-62.6	0	0	0	0	112.8	Q371 A372 I378 H438	Q371-S376 PolarHBondContact O-N 3.34Å; A372-S376 VanDerWaalsContact O-CA 3.28Å; A372-S376 WeakPolarHBondContact O-CA 3.36Å; A372-S376 PolarHBondContact O-N 3.4Å; S376-I378 PolarHBondContact O-N 3.39Å; S376-H438 VanDerWaalsContact CB-CG 3.48Å; S376-H438 PolarHBondContact OG-ND1 2.9Å
377	S	82.1	Confident	83.6	Confident	32 Å²	32	55.9 Å²	55.9	22%	0.224	29%	0.285	C	S	.	.			trans	-74.8	109.5	-176.9	177.2	0	0	0	0	110.2	Q371 H375 A380 L381	Q371-S377 PolarHBondContact O-N 3.13Å; H375-S377 PolarHBondContact O-N 3.27Å; H375-S377 VanDerWaalsContact O-N 3.11Å; S377-A380 PolarHBondContact O-N 2.94Å; S377-A380 WeakPolarHBondContact OG-CB 3.45Å; S377-A380 PolarHBondContact OG-N 2.92Å; S377-L381 PolarHBondContact O-N 3.35Å
378	I	81.4	Confident	83.2	Confident	37 Å²	37	52.2 Å²	52.2	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-44.1	175.2	-61.4	174.2	0	0	0	110	S376 A380 L381 E382 N437 R439 L455	S376-I378 PolarHBondContact O-N 3.39Å; I378-A380 PolarHBondContact O-N 3.3Å; I378-L381 CarbonylContact O-C 3.52Å; I378-L381 WeakPolarHBondContact O-CA 3.4Å; I378-L381 WeakPolarHBondContact O-CB 3.37Å; I378-L381 PolarHBondContact O-N 2.99Å; I378-E382 HydrophobicContact CG2-CG 4.21Å; I378-E382 WeakPolarHBondContact O-CG 3.39Å; I378-E382 PolarHBondContact O-N 2.91Å; I378-N437 VanDerWaalsContact CD1-O 3.24Å; I378-N437 WeakPolarHBondContact CD1-O 3.36Å; I378-N437 WeakPolarHBondContact CG1-O 3.5Å; I378-R439 HydrophobicContact CD1-CG 4.37Å; I378-L455 HydrophobicContact CG2-CD2 3.59Å
379	D	83.8	Confident	82.7	Confident	118 Å²	118	49.1 Å²	49.1	63%	0.631	26%	0.258	S	S	*	.	H	α-helix	trans	-58	-38	179.3	-57.7	-25.2	0	0	0	112.1	E382 V383	D379-E382 PolarHBondContact O-N 3.19Å; D379-V383 PolarHBondContact O-N 3.42Å
380	A	82.6	Confident	82.3	Confident	5 Å²	5	54.2 Å²	54.2	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-41.8	173.9	0	0	0	0	0	111.8	Q371 A372 S377 I378 V383 M384	Q371-A380 HydrophobicContact CB-CB 4.07Å; A372-A380 HydrophobicContact CB-CB 4.21Å; S377-A380 PolarHBondContact O-N 2.94Å; S377-A380 WeakPolarHBondContact OG-CB 3.45Å; S377-A380 PolarHBondContact OG-N 2.92Å; I378-A380 PolarHBondContact O-N 3.3Å; A380-V383 WeakPolarHBondContact O-CG2 3.46Å; A380-M384 VanDerWaalsContact O-CG 3.23Å; A380-M384 WeakPolarHBondContact O-CG 3.39Å; A380-M384 PolarHBondContact O-N 2.84Å
381	L	82.1	Confident	82	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-65	-36	175.7	-71.8	168.8	0	0	0	112.7	A372 S377 I378 V383 M384 L389 F393 L455 N457 L461	A372-L381 HydrophobicContact CB-CD2 3.67Å; A372-L381 HydrophobicContact CB-CG 3.79Å; S377-L381 PolarHBondContact O-N 3.35Å; I378-L381 CarbonylContact O-C 3.52Å; I378-L381 WeakPolarHBondContact O-CA 3.4Å; I378-L381 WeakPolarHBondContact O-CB 3.37Å; I378-L381 PolarHBondContact O-N 2.99Å; L381-V383 VanDerWaalsContact C-N 3.29Å; L381-V383 PolarHBondContact O-N 3.15Å; L381-M384 HydrophobicContact CD2-SD 4Å; L381-M384 PolarHBondContact O-N 3.22Å; L381-L389 HydrophobicContact CD2-CD2 4.05Å; L381-F393 HydrophobicContact CD2-CE2 4.32Å; L381-L455 HydrophobicContact CB-CD1 3.74Å; L381-N457 PolarHBondContact O-ND2 3.44Å; L381-L461 HydrophobicContact CD1-CD2 3.89Å; L381-L461 HydrophobicContact CD2-CD2 4.43Å
382	E	85.1	Confident	81.7	Confident	32 Å²	32	50.2 Å²	50.2	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-30.7	-179.1	-66.6	-153.4	136.9	0	0	113.1	I378 D379 L455 K456 N457	I378-E382 HydrophobicContact CG2-CG 4.21Å; I378-E382 WeakPolarHBondContact O-CG 3.39Å; I378-E382 PolarHBondContact O-N 2.91Å; D379-E382 PolarHBondContact O-N 3.19Å; E382-L455 HydrophobicContact CG-CB 4.17Å; E382-L455 HydrophobicContact CG-CD1 4.39Å; E382-L455 HydrophobicContact CG-CD2 4Å; E382-L455 HydrophobicContact CG-CG 4.4Å; E382-K456 IonicContact OE2-NZ 2.73Å; E382-K456 PolarHBondContact OE2-NZ 2.85Å; E382-N457 WeakPolarHBondContact O-CB 3.44Å; E382-N457 PolarHBondContact O-ND2 3.48Å
383	V	86	Confident	81.4	Confident	105 Å²	105	50.9 Å²	50.9	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	0.2	-177.3	-57.2	0	0	0	0	113.3	D379 A380 L381	D379-V383 PolarHBondContact O-N 3.42Å; A380-V383 WeakPolarHBondContact O-CG2 3.46Å; L381-V383 VanDerWaalsContact C-N 3.29Å; L381-V383 PolarHBondContact O-N 3.15Å
384	M	84.9	Confident	81.1	Confident	7 Å²	7	55 Å²	55	3%	0.034	28%	0.279	C	S	.	.			trans	-74	141.9	176.4	-80.8	170.4	74	0	0	111.5	C369 A372 A380 L381 E388 L389 L392 N457	C369-M384 VanDerWaalsContact SG-CE 3.6Å; A372-M384 HydrophobicContact CB-SD 3.94Å; A380-M384 VanDerWaalsContact O-CG 3.23Å; A380-M384 WeakPolarHBondContact O-CG 3.39Å; A380-M384 PolarHBondContact O-N 2.84Å; L381-M384 HydrophobicContact CD2-SD 4Å; L381-M384 PolarHBondContact O-N 3.22Å; M384-E388 WeakPolarHBondContact CA-OE2 3.35Å; M384-E388 HydrophobicContact CB-CB 4.3Å; M384-E388 HydrophobicContact CE-CB 3.7Å; M384-E388 HydrophobicContact CG-CB 4.32Å; M384-L389 HydrophobicContact CB-CD1 4.47Å; M384-L389 HydrophobicContact CB-CD2 4.26Å; M384-L389 HydrophobicContact CB-CG 4.08Å; M384-L389 HydrophobicContact CE-CD2 3.73Å; M384-L389 HydrophobicContact CE-CG 4.04Å; M384-L389 HydrophobicContact SD-CD2 4.16Å; M384-L392 HydrophobicContact CE-CB 4.14Å; M384-L392 HydrophobicContact CE-CD2 3.74Å; M384-L392 HydrophobicContact SD-CD2 4.36Å; M384-N457 PolarHBondContact O-ND2 3.47Å
385	S	84.6	Confident	80.8	Confident	54 Å²	54	58.7 Å²	58.7	38%	0.378	30%	0.301	S	S	.	.			trans	-77.1	161.3	170.1	63	0	0	0	0	112.2	Q387 E388 L389	S385-Q387 PolarHBondContact O-N 3.18Å; S385-E388 PolarHBondContact N-OE2 3.41Å; S385-E388 PolarHBondContact O-N 3.09Å; S385-E388 VanDerWaalsContact O-N 3.12Å; S385-E388 VanDerWaalsContact OG-CG 3.24Å; S385-E388 WeakPolarHBondContact OG-CG 3.28Å; S385-E388 PolarHBondContact OG-N 3.11Å; S385-E388 PolarHBondContact OG-OE2 3.4Å; S385-L389 PolarHBondContact O-N 2.7Å; S385-L389 VanDerWaalsContact O-N 3.11Å
386	D	80.2	Confident	80.9	Confident	58 Å²	58	53.2 Å²	53.2	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-54.5	-39.3	174.4	-69.1	-4.1	0	0	0	112.7	L389 K390 K473	D386-L389 PolarHBondContact O-N 2.94Å; D386-K390 WeakPolarHBondContact O-CB 3.43Å; D386-K390 WeakPolarHBondContact O-CG 3.35Å; D386-K390 PolarHBondContact O-N 3.41Å; D386-K473 IonicContact OD1-NZ 3.26Å; D386-K473 PolarHBondContact OD1-NZ 3.35Å; D386-K473 IonicContact OD2-NZ 3.14Å; D386-K473 PolarHBondContact OD2-NZ 3.45Å
387	Q	83.2	Confident	81	Confident	93 Å²	93	53.4 Å²	53.4	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-43.7	179.3	-176.7	166.9	19.7	0	0	111	S385 L389 K390 E391	S385-Q387 PolarHBondContact O-N 3.18Å; Q387-L389 VanDerWaalsContact C-N 3.31Å; Q387-L389 PolarHBondContact O-N 3.39Å; Q387-K390 PolarHBondContact O-N 3.05Å; Q387-E391 HydrophobicContact CG-CG 4.45Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.42Å; Q387-E391 WeakPolarHBondContact O-CB 3.43Å; Q387-E391 VanDerWaalsContact O-CG 3.23Å; Q387-E391 WeakPolarHBondContact O-CG 3.31Å; Q387-E391 PolarHBondContact O-N 3.41Å
388	E	84.4	Confident	81.2	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-35.6	178.4	-71	173.2	128.6	0	0	112.6	S365 R368 M384 S385 E391 L392	S365-E388 WeakPolarHBondContact CA-OE1 3.36Å; S365-E388 WeakPolarHBondContact CB-OE1 3.43Å; S365-E388 VanDerWaalsContact OG-CG 3.31Å; S365-E388 WeakPolarHBondContact OG-CG 3.38Å; S365-E388 PolarHBondContact OG-OE1 3.39Å; R368-E388 IonicContact CZ-OE1 2.86Å; R368-E388 IonicContact NE-OE1 3.35Å; R368-E388 PolarHBondContact NE-OE1 3.32Å; R368-E388 VanDerWaalsContact NE-OE1 3.14Å; R368-E388 IonicContact NE-OE2 2.76Å; R368-E388 IonicContact NH2-OE1 2.93Å; R368-E388 PolarHBondContact NH2-OE1 3.34Å; M384-E388 WeakPolarHBondContact CA-OE2 3.35Å; M384-E388 HydrophobicContact CB-CB 4.3Å; M384-E388 HydrophobicContact CE-CB 3.7Å; M384-E388 HydrophobicContact CG-CB 4.32Å; S385-E388 PolarHBondContact N-OE2 3.41Å; S385-E388 PolarHBondContact O-N 3.09Å; S385-E388 VanDerWaalsContact O-N 3.12Å; S385-E388 VanDerWaalsContact OG-CG 3.24Å; S385-E388 WeakPolarHBondContact OG-CG 3.28Å; S385-E388 PolarHBondContact OG-N 3.11Å; S385-E388 PolarHBondContact OG-OE2 3.4Å; E388-E391 PolarHBondContact O-N 3.2Å; E388-L392 VanDerWaalsContact O-CB 3.24Å; E388-L392 WeakPolarHBondContact O-CB 3.24Å; E388-L392 PolarHBondContact O-N 2.93Å
389	L	79.8	Confident	81.5	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-70.5	-43.4	177.2	-69.8	162.8	0	0	0	111.7	L381 M384 S385 D386 Q387 E391 L392 F393 L459 I471	L381-L389 HydrophobicContact CD2-CD2 4.05Å; M384-L389 HydrophobicContact CB-CD1 4.47Å; M384-L389 HydrophobicContact CB-CD2 4.26Å; M384-L389 HydrophobicContact CB-CG 4.08Å; M384-L389 HydrophobicContact CE-CD2 3.73Å; M384-L389 HydrophobicContact CE-CG 4.04Å; M384-L389 HydrophobicContact SD-CD2 4.16Å; S385-L389 PolarHBondContact O-N 2.7Å; S385-L389 VanDerWaalsContact O-N 3.11Å; D386-L389 PolarHBondContact O-N 2.94Å; Q387-L389 VanDerWaalsContact C-N 3.31Å; Q387-L389 PolarHBondContact O-N 3.39Å; L389-E391 VanDerWaalsContact C-N 3.27Å; L389-E391 PolarHBondContact O-N 3.32Å; L389-L392 PolarHBondContact O-N 3.25Å; L389-F393 HydrophobicContact CD2-CE2 4.32Å; L389-F393 PolarHBondContact O-N 3.21Å; L389-L459 HydrophobicContact CD1-CD1 3.13Å; L389-L459 HydrophobicContact CD1-CD2 4.07Å; L389-L459 HydrophobicContact CD1-CG 4.15Å; L389-I471 HydrophobicContact CB-CD1 4.26Å
390	K	79.3	Confident	81.8	Confident	106 Å²	106	53.5 Å²	53.5	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-37.6	172.7	-72.3	174.5	-179.7	178	0	111.5	D386 Q387 K394 F398	D386-K390 WeakPolarHBondContact O-CB 3.43Å; D386-K390 WeakPolarHBondContact O-CG 3.35Å; D386-K390 PolarHBondContact O-N 3.41Å; Q387-K390 PolarHBondContact O-N 3.05Å; K390-K394 VanDerWaalsContact O-CA 3.27Å; K390-K394 WeakPolarHBondContact O-CA 3.39Å; K390-K394 PolarHBondContact O-N 3.39Å; K390-F398 HydrophobicContact CG-CD2 4.24Å; K390-F398 HydrophobicContact CG-CE2 4.45Å
391	E	81.3	Confident	82.2	Confident	22 Å²	22	54.8 Å²	54.8	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-44.3	175.7	-77.4	170.7	-178	0	0	112.7	R294 Q387 E388 L389	R294-E391 IonicContact CZ-OE1 3.9Å; R294-E391 VanDerWaalsContact CZ-OE1 3.32Å; R294-E391 IonicContact CZ-OE2 2.66Å; R294-E391 IonicContact NE-OE1 3.42Å; R294-E391 PolarHBondContact NE-OE1 3.15Å; R294-E391 IonicContact NE-OE2 2.79Å; R294-E391 IonicContact NH2-OE1 3.84Å; R294-E391 PolarHBondContact NH2-OE1 2.87Å; R294-E391 VanDerWaalsContact NH2-OE1 3.08Å; R294-E391 IonicContact NH2-OE2 3.59Å; R294-E391 PolarHBondContact NH2-OE2 3.04Å; R294-E391 VanDerWaalsContact NH2-OE2 3.11Å; Q387-E391 HydrophobicContact CG-CG 4.45Å; Q387-E391 WeakPolarHBondContact CG-OE1 3.42Å; Q387-E391 WeakPolarHBondContact O-CB 3.43Å; Q387-E391 VanDerWaalsContact O-CG 3.23Å; Q387-E391 WeakPolarHBondContact O-CG 3.31Å; Q387-E391 PolarHBondContact O-N 3.41Å; E388-E391 PolarHBondContact O-N 3.2Å; L389-E391 VanDerWaalsContact C-N 3.27Å; L389-E391 PolarHBondContact O-N 3.32Å
392	L	79.4	Confident	82.5	Confident	15 Å²	15	59.9 Å²	59.9	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-69.3	-37.8	-177.2	-178.6	55.5	0	0	0	112.1	F300 C369 A372 L373 M384 E388 L389	F300-L392 HydrophobicContact CD1-CD1 3.71Å; F300-L392 HydrophobicContact CD2-CD1 4.19Å; F300-L392 HydrophobicContact CE1-CD1 3.5Å; F300-L392 HydrophobicContact CE2-CD1 4.01Å; F300-L392 HydrophobicContact CG-CD1 4.04Å; F300-L392 HydrophobicContact CZ-CD1 3.65Å; C369-L392 HydrophobicContact CB-CD1 3.92Å; C369-L392 HydrophobicContact CB-CD2 4.25Å; C369-L392 HydrophobicContact CB-CG 4.49Å; A372-L392 HydrophobicContact CB-CD2 4.1Å; L373-L392 HydrophobicContact CB-CD1 4.07Å; L373-L392 HydrophobicContact CB-CD2 4.37Å; L373-L392 HydrophobicContact CD2-CD1 4.04Å; L373-L392 HydrophobicContact CG-CD1 4.48Å; M384-L392 HydrophobicContact CE-CB 4.14Å; M384-L392 HydrophobicContact CE-CD2 3.74Å; M384-L392 HydrophobicContact SD-CD2 4.36Å; E388-L392 VanDerWaalsContact O-CB 3.24Å; E388-L392 WeakPolarHBondContact O-CB 3.24Å; E388-L392 PolarHBondContact O-N 2.93Å; L389-L392 PolarHBondContact O-N 3.25Å
393	F	76.9	Confident	82.7	Confident	14 Å²	14	60.6 Å²	60.6	6%	0.061	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	49.2	-175.7	-58.3	-83.2	0	0	0	111.1	L373 L381 L389 E395 A396 L461 F469 I471	L373-F393 HydrophobicContact CD1-CE1 3.77Å; L373-F393 HydrophobicContact CD1-CZ 4.17Å; L381-F393 HydrophobicContact CD2-CE2 4.32Å; L389-F393 HydrophobicContact CD2-CE2 4.32Å; L389-F393 PolarHBondContact O-N 3.21Å; F393-E395 PolarHBondContact O-N 3.18Å; F393-E395 VanDerWaalsContact O-N 3.08Å; F393-A396 HydrophobicContact CB-CB 3.6Å; F393-A396 HydrophobicContact CG-CB 4.46Å; F393-A396 WeakPolarHBondContact O-CB 3.48Å; F393-A396 PolarHBondContact O-N 3.32Å; F393-L461 HydrophobicContact CD1-CD1 4.35Å; F393-L461 HydrophobicContact CD2-CD1 4.46Å; F393-L461 HydrophobicContact CE1-CD1 3.84Å; F393-L461 HydrophobicContact CE1-CD2 4.25Å; F393-L461 HydrophobicContact CE2-CD1 3.92Å; F393-L461 HydrophobicContact CE2-CD2 4.31Å; F393-L461 HydrophobicContact CZ-CD1 3.6Å; F393-L461 HydrophobicContact CZ-CD2 3.6Å; F393-L461 HydrophobicContact CZ-CG 4.27Å; F393-F469 HydrophobicContact CD1-CB 3.83Å; F393-F469 HydrophobicContact CD1-CD1 4.43Å; F393-F469 HydrophobicContact CD1-CD2 4.39Å; F393-F469 AromaticContact CD1-CG 3.99Å; F393-F469 HydrophobicContact CD1-CG 3.99Å; F393-F469 HydrophobicContact CE1-CB 4.02Å; F393-F469 AromaticContact CE1-CD1 3.76Å; F393-F469 HydrophobicContact CE1-CD1 3.76Å; F393-F469 HydrophobicContact CE1-CD2 4.22Å; F393-F469 HydrophobicContact CE1-CE1 4.22Å; F393-F469 AromaticContact CE1-CG 3.74Å; F393-F469 HydrophobicContact CE1-CG 3.74Å; F393-I471 HydrophobicContact CB-CD1 3.52Å; F393-I471 HydrophobicContact CB-CG1 4.3Å; F393-I471 HydrophobicContact CD2-CD1 3.64Å; F393-I471 HydrophobicContact CD2-CG1 4.18Å; F393-I471 HydrophobicContact CG-CD1 3.86Å; F393-I471 HydrophobicContact CG-CG1 4.34Å
394	K	71.2	Confident	82.8	Confident	129 Å²	129	59.5 Å²	59.5	56%	0.561	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.5	-176.2	-167.5	174.7	-176.5	172.5	0	114.5	K390	K390-K394 VanDerWaalsContact O-CA 3.27Å; K390-K394 WeakPolarHBondContact O-CA 3.39Å; K390-K394 PolarHBondContact O-N 3.39Å
395	E	71.6	Confident	82.8	Confident	195 Å²	195	65.7 Å²	65.7	91%	0.911	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-9.8	177.1	-61.7	-173.3	165.7	0	0	113.6	F393	F393-E395 PolarHBondContact O-N 3.18Å; F393-E395 VanDerWaalsContact O-N 3.08Å
396	A	79.9	Confident	82.9	Confident	19 Å²	19	65.4 Å²	65.4	16%	0.157	34%	0.342	C	S	.	.	S	Bend	trans	-77.9	138.1	177.1	0	0	0	0	0	110	F393 F398 F469	F393-A396 HydrophobicContact CB-CB 3.6Å; F393-A396 HydrophobicContact CG-CB 4.46Å; F393-A396 WeakPolarHBondContact O-CB 3.48Å; F393-A396 PolarHBondContact O-N 3.32Å; A396-F398 PolarHBondContact O-N 2.92Å; A396-F469 HydrophobicContact CB-CB 4.17Å; A396-F469 WeakPolarHBondContact CB-O 3.44Å
397	P	82.4	Confident	83.5	Confident	61 Å²	61	63 Å²	63	40%	0.396	33%	0.329	S	S	.	.			trans	-58	127	169	-25.1	36.7	0	0	0	110.4	Y470 I471	P397-Y470 HydrophobicContact CB-CD1 3.85Å; P397-Y470 HydrophobicContact CB-CE1 4.32Å; P397-Y470 HydrophobicContact CG-CD1 3.62Å; P397-Y470 HydrophobicContact CG-CE1 3.67Å; P397-I471 PolarHBondContact O-N 3.42Å
398	F	85.4	Confident	84	Confident	55 Å²	55	58.7 Å²	58.7	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.1	171.7	-174	-82.7	0	0	0	108	K390 A396 E400 L459 I471 K473	K390-F398 HydrophobicContact CG-CD2 4.24Å; K390-F398 HydrophobicContact CG-CE2 4.45Å; A396-F398 PolarHBondContact O-N 2.92Å; F398-E400 HydrophobicContact CD1-CG 4.4Å; F398-E400 HydrophobicContact CE1-CG 3.82Å; F398-L459 HydrophobicContact CE2-CD2 4.24Å; F398-I471 WeakPolarHBondContact CA-O 3.28Å; F398-I471 HydrophobicContact CD2-CB 3.77Å; F398-I471 HydrophobicContact CD2-CD1 4.06Å; F398-I471 HydrophobicContact CD2-CG2 3.53Å; F398-I471 HydrophobicContact CE2-CB 4.37Å; F398-I471 HydrophobicContact CE2-CG2 3.61Å; F398-K473 HydrophobicContact CE1-CB 4.07Å; F398-K473 HydrophobicContact CE2-CB 4.44Å; F398-K473 HydrophobicContact CZ-CB 3.67Å; F398-K473 HydrophobicContact CZ-CD 3.92Å; F398-K473 HydrophobicContact CZ-CG 4.41Å
399	S	88.4	Confident	84.5	Confident	30 Å²	30	58.3 Å²	58.3	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.8	-178.1	-56.8	0	0	0	0	110.8	F401 I471 I472 K473	S399-F401 VanDerWaalsContact CB-CZ 3.46Å; S399-I471 PolarHBondContact N-O 3.06Å; S399-I472 CarbonylContact O-C 3.45Å; S399-I472 WeakPolarHBondContact O-CA 3.32Å; S399-K473 PolarHBondContact O-N 3.24Å
400	E	90.3	Very high	85.1	Confident	104 Å²	104	58.4 Å²	58.4	49%	0.486	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.3	176	-63.6	-177.4	172.9	0	0	109.2	F398 K473 L475	F398-E400 HydrophobicContact CD1-CG 4.4Å; F398-E400 HydrophobicContact CE1-CG 3.82Å; E400-K473 CarbonylContact C-O 3.55Å; E400-K473 VanDerWaalsContact CA-O 3.3Å; E400-K473 WeakPolarHBondContact CA-O 3.25Å; E400-K473 HydrophobicContact CG-CB 4.28Å; E400-L475 HydrophobicContact CB-CD1 3.93Å; E400-L475 HydrophobicContact CB-CD2 4.23Å; E400-L475 HydrophobicContact CB-CG 4.06Å; E400-L475 HydrophobicContact CG-CD2 4.35Å
401	F	90.5	Very high	85.8	Confident	32 Å²	32	56.4 Å²	56.4	14%	0.14	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.3	-177.1	-62.3	-25.2	0	0	0	111.8	S399 K415 A416 I472 K473 W474 L475	S399-F401 VanDerWaalsContact CB-CZ 3.46Å; F401-K415 HydrophobicContact CE1-CB 4.38Å; F401-K415 HydrophobicContact CE2-CB 3.87Å; F401-K415 HydrophobicContact CZ-CB 3.83Å; F401-A416 HydrophobicContact CE2-CB 4.09Å; F401-A416 HydrophobicContact CZ-CB 4.16Å; F401-I472 HydrophobicContact CB-CG2 4.27Å; F401-I472 HydrophobicContact CD2-CB 4.45Å; F401-I472 HydrophobicContact CD2-CD1 4.15Å; F401-I472 HydrophobicContact CD2-CG1 4.29Å; F401-I472 HydrophobicContact CD2-CG2 3.39Å; F401-I472 HydrophobicContact CE2-CD1 3.8Å; F401-I472 HydrophobicContact CE2-CG1 3.96Å; F401-I472 HydrophobicContact CE2-CG2 3.96Å; F401-I472 HydrophobicContact CG-CG2 4.07Å; F401-K473 PolarHBondContact N-O 3.01Å; F401-W474 HydrophobicContact CB-CE3 3.92Å; F401-W474 HydrophobicContact CB-CH2 4.39Å; F401-W474 HydrophobicContact CB-CZ3 3.77Å; F401-W474 HydrophobicContact CD2-CH2 4.33Å; F401-W474 WeakPolarHBondContact O-CA 3.38Å; F401-L475 PolarHBondContact O-N 3.2Å
402	F	88.7	Confident	86.3	Confident	111 Å²	111	55.4 Å²	55.4	49%	0.487	30%	0.298	S	S	.	.			trans	-88.7	140.3	162.3	-67.5	-84.4	0	0	0	109.1	D404 W474 L475 Q476	F402-D404 PolarHBondContact O-N 2.89Å; F402-W474 WeakPolarHBondContact O-CZ3 3.43Å; F402-L475 HydrophobicContact CD1-CB 4.42Å; F402-L475 HydrophobicContact CE1-CB 4.14Å; F402-L475 HydrophobicContact CE2-CD1 4.32Å; F402-L475 HydrophobicContact CZ-CB 4.47Å; F402-L475 HydrophobicContact CZ-CD1 4.12Å; F402-Q476 HydrophobicContact CD1-CB 4.38Å; F402-Q476 HydrophobicContact CD1-CG 4.23Å; F402-Q476 HydrophobicContact CE1-CG 4.16Å
403	L	87.9	Confident	87	Confident	46 Å²	46	54.7 Å²	54.7	24%	0.241	29%	0.294	C	S	.	.			trans	-87.1	96.6	177.2	-174.8	64.9	0	0	0	109.4	L448 V450 I454 W474	L403-L448 HydrophobicContact CD1-CB 4.34Å; L403-L448 HydrophobicContact CD1-CD1 4.24Å; L403-V450 HydrophobicContact CD2-CG2 4.41Å; L403-I454 HydrophobicContact CD1-CD1 3.83Å; L403-I454 HydrophobicContact CD2-CD1 3.57Å; L403-I454 HydrophobicContact CG-CD1 4.3Å; L403-W474 HydrophobicContact CB-CD2 4.46Å; L403-W474 HydrophobicContact CB-CE3 3.67Å; L403-W474 HydrophobicContact CB-CZ3 4.06Å; L403-W474 HydrophobicContact CD1-CD2 4.42Å; L403-W474 HydrophobicContact CD1-CE3 3.88Å; L403-W474 HydrophobicContact CD1-CH2 4.01Å; L403-W474 HydrophobicContact CD1-CZ3 3.64Å; L403-W474 HydrophobicContact CG-CE3 4.36Å; L403-W474 HydrophobicContact CG-CZ3 4.48Å
404	D	88.1	Confident	87.8	Confident	82 Å²	82	57.8 Å²	57.8	44%	0.439	31%	0.306	S	S	.	.			trans	-76.5	142.4	173.5	-56.1	-53.4	0	0	0	110	F402 G406 T407 K415	F402-D404 PolarHBondContact O-N 2.89Å; D404-G406 PolarHBondContact O-N 3.11Å; D404-T407 PolarHBondContact N-OG1 2.97Å; D404-T407 WeakPolarHBondContact O-CB 3.13Å; D404-T407 PolarHBondContact O-N 2.86Å; D404-T407 PolarHBondContact O-OG1 3.49Å; D404-K415 IonicContact OD2-NZ 3.91Å; D404-K415 PolarHBondContact OD2-NZ 2.81Å
405	P	84.6	Confident	88.7	Confident	138 Å²	138	56.1 Å²	56.1	90%	0.896	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	128.7	173.1	-26.3	34.5	0	0	0	111.6
406	G	87.5	Confident	89.6	Confident	47 Å²	47	47.1 Å²	47.1	49%	0.485	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	5.4	-179.2	0	0	0	0	0	115.2	D404 S408	D404-G406 PolarHBondContact O-N 3.11Å; G406-S408 PolarHBondContact O-N 3Å
407	T	92.2	Very high	90.2	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.043	28%	0.282	C	S	.	.			trans	-53.6	116.2	174	-62.4	0	0	0	0	110.2	D404 D411 T412 L448 W474	D404-T407 PolarHBondContact N-OG1 2.97Å; D404-T407 WeakPolarHBondContact O-CB 3.13Å; D404-T407 PolarHBondContact O-N 2.86Å; D404-T407 PolarHBondContact O-OG1 3.49Å; T407-D411 HydrophobicContact CG2-CB 4.46Å; T407-T412 WeakPolarHBondContact CG2-OG1 3.32Å; T407-L448 HydrophobicContact CG2-CD1 4.12Å; T407-L448 HydrophobicContact CG2-CG 4.49Å; T407-L448 PolarHBondContact O-N 2.81Å; T407-W474 HydrophobicContact CG2-CH2 4.09Å
408	S	94.4	Very high	90.6	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.028	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-88.6	168.6	-178.7	71.9	0	0	0	0	112.4	G406 L410 D411 T412 S446	G406-S408 PolarHBondContact O-N 3Å; S408-L410 VanDerWaalsContact C-N 3.3Å; S408-L410 PolarHBondContact OG-N 3.15Å; S408-D411 WeakPolarHBondContact CB-OD2 3.37Å; S408-D411 PolarHBondContact N-OD2 3.3Å; S408-D411 PolarHBondContact O-N 2.88Å; S408-D411 PolarHBondContact OG-N 2.84Å; S408-D411 PolarHBondContact OG-OD2 3.01Å; S408-T412 WeakPolarHBondContact O-CB 3.31Å; S408-T412 PolarHBondContact O-N 3.24Å; S408-T412 PolarHBondContact O-OG1 2.93Å; S408-S446 CarbonylContact C-O 3.55Å; S408-S446 WeakPolarHBondContact CA-O 3.48Å
409	V	93.8	Very high	91	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-41.5	170	169.9	0	0	0	0	111.3	T412 C413 I429 I436 V441 P444 S446 L448	V409-T412 PolarHBondContact O-N 2.85Å; V409-C413 PolarHBondContact O-N 3.21Å; V409-C413 PolarHBondContact O-SG 3.2Å; V409-I429 HydrophobicContact CG1-CD1 4.33Å; V409-I429 HydrophobicContact CG1-CG2 4.42Å; V409-I436 HydrophobicContact CG1-CD1 4.08Å; V409-I436 HydrophobicContact CG2-CD1 3.81Å; V409-V441 HydrophobicContact CG1-CG1 4.17Å; V409-V441 HydrophobicContact CG2-CG1 4.11Å; V409-P444 PolarHBondContact N-O 3.45Å; V409-S446 WeakPolarHBondContact CG2-O 3.4Å; V409-S446 PolarHBondContact N-O 2.97Å; V409-L448 HydrophobicContact CG2-CD2 3.76Å
410	L	94.4	Very high	91.1	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-47.6	177	-177.5	65	0	0	0	111.9	S408 T412 C413 R414 I419 Y426 I429 P444	S408-L410 VanDerWaalsContact C-N 3.3Å; S408-L410 PolarHBondContact OG-N 3.15Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 2.75Å; L410-C413 PolarHBondContact O-N 3.04Å; L410-R414 WeakPolarHBondContact O-CG 3.39Å; L410-R414 PolarHBondContact O-N 2.89Å; L410-I419 HydrophobicContact CD1-CD1 3.93Å; L410-Y426 HydrophobicContact CD1-CD2 4.43Å; L410-Y426 HydrophobicContact CD2-CD2 3.86Å; L410-Y426 HydrophobicContact CD2-CE2 4.37Å; L410-I429 HydrophobicContact CB-CD1 4.29Å; L410-I429 HydrophobicContact CD1-CD1 3.76Å; L410-P444 HydrophobicContact CB-CB 3.97Å; L410-P444 WeakPolarHBondContact CB-O 3.26Å; L410-P444 HydrophobicContact CD1-CB 4.48Å; L410-P444 HydrophobicContact CD2-CB 4.44Å; L410-P444 PolarHBondContact N-O 2.66Å
411	D	92.6	Very high	90.9	Very high	65 Å²	65	49.4 Å²	49.4	35%	0.348	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-43.1	179.2	-62.5	-40.7	0	0	0	111	T407 S408 R414 K415	T407-D411 HydrophobicContact CG2-CB 4.46Å; S408-D411 WeakPolarHBondContact CB-OD2 3.37Å; S408-D411 PolarHBondContact N-OD2 3.3Å; S408-D411 PolarHBondContact O-N 2.88Å; S408-D411 PolarHBondContact OG-N 2.84Å; S408-D411 PolarHBondContact OG-OD2 3.01Å; D411-R414 PolarHBondContact O-N 2.87Å; D411-K415 WeakPolarHBondContact O-CB 3.38Å; D411-K415 WeakPolarHBondContact O-CG 3.49Å; D411-K415 PolarHBondContact O-N 2.92Å
412	T	93.1	Very high	90.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-47.4	179.8	-58.7	0	0	0	0	111.4	T407 S408 V409 L410 R414 A416 L448 L462 I472 W474	T407-T412 WeakPolarHBondContact CG2-OG1 3.32Å; S408-T412 WeakPolarHBondContact O-CB 3.31Å; S408-T412 PolarHBondContact O-N 3.24Å; S408-T412 PolarHBondContact O-OG1 2.93Å; V409-T412 PolarHBondContact O-N 2.85Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 2.75Å; T412-R414 VanDerWaalsContact C-N 3.32Å; T412-R414 PolarHBondContact O-N 3.05Å; T412-A416 VanDerWaalsContact O-CB 3.32Å; T412-A416 WeakPolarHBondContact O-CB 3.48Å; T412-A416 PolarHBondContact O-N 3.43Å; T412-L448 HydrophobicContact CG2-CD1 4.15Å; T412-L448 VanDerWaalsContact OG1-CD1 3.24Å; T412-L448 WeakPolarHBondContact OG1-CD1 3.33Å; T412-L462 HydrophobicContact CG2-CD1 4.47Å; T412-I472 HydrophobicContact CG2-CD1 3.21Å; T412-W474 HydrophobicContact CG2-CH2 4.2Å; T412-W474 HydrophobicContact CG2-CZ2 3.97Å
413	C	93.2	Very high	90.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-35.1	177.5	-68.5	0	0	0	0	112.5	V409 L410 N417 A418 I419	V409-C413 PolarHBondContact O-N 3.21Å; V409-C413 PolarHBondContact O-SG 3.2Å; L410-C413 PolarHBondContact O-N 3.04Å; C413-N417 PolarHBondContact O-N 2.72Å; C413-A418 HydrophobicContact CB-CB 4.49Å; C413-A418 WeakPolarHBondContact O-CB 3.36Å; C413-A418 PolarHBondContact O-N 3.03Å; C413-I419 HydrophobicContact CB-CD1 3.51Å; C413-I419 HydrophobicContact CB-CG1 3.73Å; C413-I419 HydrophobicContact CB-CG2 4.17Å
414	R	93	Very high	91.1	Very high	78 Å²	78	55.3 Å²	55.3	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-71.7	-48.3	175.4	-75.5	178.9	175	159.4	-0.6	112.5	L410 D411 T412 A416 N417 I419	L410-R414 WeakPolarHBondContact O-CG 3.39Å; L410-R414 PolarHBondContact O-N 2.89Å; D411-R414 PolarHBondContact O-N 2.87Å; T412-R414 VanDerWaalsContact C-N 3.32Å; T412-R414 PolarHBondContact O-N 3.05Å; R414-A416 PolarHBondContact O-N 3.39Å; R414-N417 WeakPolarHBondContact O-CA 3.4Å; R414-N417 PolarHBondContact O-N 2.88Å; R414-I419 HydrophobicContact CG-CD1 4.32Å; R414-I419 HydrophobicContact CG-CG1 4.31Å
415	K	91.3	Very high	91.2	Very high	95 Å²	95	51.4 Å²	51.4	41%	0.413	29%	0.287	S	S	.	.	H	α-helix	trans	-55.8	-37.6	175.8	-76.1	180	177.7	-178.6	0	111.3	F401 D404 D411 N417	F401-K415 HydrophobicContact CE1-CB 4.38Å; F401-K415 HydrophobicContact CE2-CB 3.87Å; F401-K415 HydrophobicContact CZ-CB 3.83Å; D404-K415 IonicContact OD2-NZ 3.91Å; D404-K415 PolarHBondContact OD2-NZ 2.81Å; D411-K415 WeakPolarHBondContact O-CB 3.38Å; D411-K415 WeakPolarHBondContact O-CG 3.49Å; D411-K415 PolarHBondContact O-N 2.92Å; K415-N417 VanDerWaalsContact C-N 3.26Å; K415-N417 PolarHBondContact O-N 3.45Å
416	A	90.8	Very high	91.7	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.041	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1	175.9	0	0	0	0	0	114.8	F401 T412 R414 A418 L462 I472	F401-A416 HydrophobicContact CE2-CB 4.09Å; F401-A416 HydrophobicContact CZ-CB 4.16Å; T412-A416 VanDerWaalsContact O-CB 3.32Å; T412-A416 WeakPolarHBondContact O-CB 3.48Å; T412-A416 PolarHBondContact O-N 3.43Å; R414-A416 PolarHBondContact O-N 3.39Å; A416-A418 HydrophobicContact CB-CB 4.25Å; A416-A418 PolarHBondContact O-N 2.81Å; A416-A418 VanDerWaalsContact O-N 3.17Å; A416-L462 HydrophobicContact CB-CD1 4.25Å; A416-I472 HydrophobicContact CB-CD1 4.03Å; A416-I472 HydrophobicContact CB-CG1 4.38Å
417	N	91.9	Very high	91.9	Very high	128 Å²	128	54.4 Å²	54.4	68%	0.684	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	35.1	-171	-63.7	-54.8	0	0	0	112.8	C413 R414 K415	C413-N417 PolarHBondContact O-N 2.72Å; R414-N417 WeakPolarHBondContact O-CA 3.4Å; R414-N417 PolarHBondContact O-N 2.88Å; K415-N417 VanDerWaalsContact C-N 3.26Å; K415-N417 PolarHBondContact O-N 3.45Å
418	A	91.3	Very high	92	Very high	7 Å²	7	56.5 Å²	56.5	6%	0.058	28%	0.276	C	S	.	.			trans	-85.2	-22	-175.8	0	0	0	0	0	113.1	C413 A416 L462 I464 Y470	C413-A418 HydrophobicContact CB-CB 4.49Å; C413-A418 WeakPolarHBondContact O-CB 3.36Å; C413-A418 PolarHBondContact O-N 3.03Å; A416-A418 HydrophobicContact CB-CB 4.25Å; A416-A418 PolarHBondContact O-N 2.81Å; A416-A418 VanDerWaalsContact O-N 3.17Å; A418-L462 HydrophobicContact CB-CD1 4.22Å; A418-I464 HydrophobicContact CB-CD1 4.1Å; A418-I464 HydrophobicContact CB-CG1 4.03Å; A418-I464 WeakPolarHBondContact O-CG1 3.09Å; A418-Y470 VanDerWaalsContact CA-CZ 3.47Å; A418-Y470 HydrophobicContact CB-CD1 3.87Å; A418-Y470 HydrophobicContact CB-CD2 3.69Å; A418-Y470 HydrophobicContact CB-CE1 3.89Å; A418-Y470 HydrophobicContact CB-CE2 3.75Å; A418-Y470 HydrophobicContact CB-CG 3.8Å
419	I	92.9	Very high	92	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.056	28%	0.275	C	S	.	.	S	Bend	trans	-132.9	154.2	179.9	62.1	177.6	0	0	0	109.9	L410 C413 R414 M428 I429 V434 I464	L410-I419 HydrophobicContact CD1-CD1 3.93Å; C413-I419 HydrophobicContact CB-CD1 3.51Å; C413-I419 HydrophobicContact CB-CG1 3.73Å; C413-I419 HydrophobicContact CB-CG2 4.17Å; R414-I419 HydrophobicContact CG-CD1 4.32Å; R414-I419 HydrophobicContact CG-CG1 4.31Å; I419-M428 HydrophobicContact CG2-CE 4.46Å; I419-I429 HydrophobicContact CD1-CD1 3.82Å; I419-I429 HydrophobicContact CD1-CG1 4.41Å; I419-V434 HydrophobicContact CG2-CG2 4.23Å; I419-I464 HydrophobicContact CG2-CD1 3.93Å; I419-I464 HydrophobicContact CG2-CG2 4.5Å
420	P	90.6	Very high	92	Very high	49 Å²	49	59.1 Å²	59.1	32%	0.318	29%	0.292	S	S	.	.			trans	-67.4	148.2	174.5	27	-33.4	0	0	0	111.7	R424 G425 M428	P420-R424 HydrophobicContact CG-CB 4.19Å; P420-R424 HydrophobicContact CG-CG 3.9Å; P420-G425 WeakPolarHBondContact O-CA 3.24Å; P420-G425 PolarHBondContact O-N 3.3Å; P420-M428 HydrophobicContact CG-SD 3.98Å
421	D	86.4	Confident	92	Very high	123 Å²	123	65.7 Å²	65.7	66%	0.658	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	160.9	175.9	-71.4	-43.9	0	0	0	113.3
422	G	88.3	Confident	92	Very high	30 Å²	30	63.1 Å²	63.1	31%	0.309	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-158.7	177	0	0	0	0	0	114.9	R424 G425	G422-R424 PolarHBondContact O-N 3.43Å; G422-G425 PolarHBondContact O-N 3.17Å
423	P	91.4	Very high	91.9	Very high	99 Å²	99	64.4 Å²	64.4	64%	0.643	33%	0.325	S	S	*	.	H	α-helix	trans	-63.5	-23.3	-173.2	-24.3	34.3	0	0	0	114.3	R427	P423-R427 WeakPolarHBondContact O-CG 3.36Å; P423-R427 PolarHBondContact O-N 3.41Å
424	R	91.3	Very high	92	Very high	183 Å²	183	64.5 Å²	64.5	69%	0.691	33%	0.325	S	S	*	.	H	α-helix	trans	-68.2	-46.8	-178.5	-172.9	179.1	177.8	-178.1	0.2	111.8	P420 G422 Y426 R427 M428	P420-R424 HydrophobicContact CG-CB 4.19Å; P420-R424 HydrophobicContact CG-CG 3.9Å; G422-R424 PolarHBondContact O-N 3.43Å; R424-Y426 VanDerWaalsContact C-N 3.33Å; R424-R427 PolarHBondContact O-N 3.37Å; R424-M428 WeakPolarHBondContact O-CG 3.36Å; R424-M428 PolarHBondContact O-N 2.69Å
425	G	90.6	Very high	92	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-39.1	175.9	0	0	0	0	0	112.4	P420 G422 R427 M428 I429	P420-G425 WeakPolarHBondContact O-CA 3.24Å; P420-G425 PolarHBondContact O-N 3.3Å; G422-G425 PolarHBondContact O-N 3.17Å; G425-R427 PolarHBondContact O-N 3.23Å; G425-M428 WeakPolarHBondContact O-CB 3.18Å; G425-M428 PolarHBondContact O-N 3.08Å; G425-I429 PolarHBondContact O-N 3.37Å
426	Y	93.8	Very high	92.1	Very high	91 Å²	91	57.3 Å²	57.3	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-57.5	-48.7	174.1	-170.3	-82.7	0	0	0	111.4	L410 R424 M428 I429 T430 P444	L410-Y426 HydrophobicContact CD1-CD2 4.43Å; L410-Y426 HydrophobicContact CD2-CD2 3.86Å; L410-Y426 HydrophobicContact CD2-CE2 4.37Å; R424-Y426 VanDerWaalsContact C-N 3.33Å; Y426-M428 VanDerWaalsContact C-N 3.34Å; Y426-M428 PolarHBondContact O-N 2.86Å; Y426-I429 PolarHBondContact O-N 3.1Å; Y426-T430 HydrophobicContact CD1-CG2 4.02Å; Y426-T430 HydrophobicContact CE1-CG2 3.69Å; Y426-T430 PolarHBondContact O-N 3.33Å; Y426-T430 VanDerWaalsContact O-N 3.14Å; Y426-T430 PolarHBondContact O-OG1 3.45Å; Y426-P444 HydrophobicContact CD1-CG 4.27Å; Y426-P444 HydrophobicContact CD2-CB 3.89Å; Y426-P444 HydrophobicContact CD2-CG 3.95Å; Y426-P444 HydrophobicContact CE1-CG 4.01Å; Y426-P444 HydrophobicContact CE2-CB 3.66Å; Y426-P444 HydrophobicContact CE2-CG 3.67Å; Y426-P444 HydrophobicContact CG-CG 4.24Å
427	R	93.7	Very high	92	Very high	158 Å²	158	57.1 Å²	57.1	60%	0.596	30%	0.297	S	S	*	.	H	α-helix	trans	-60.8	-40.3	177	-75.6	-178.6	-169.6	174.9	2.8	113	P423 R424 G425 I429 T430 E431	P423-R427 WeakPolarHBondContact O-CG 3.36Å; P423-R427 PolarHBondContact O-N 3.41Å; R424-R427 PolarHBondContact O-N 3.37Å; G425-R427 PolarHBondContact O-N 3.23Å; R427-I429 PolarHBondContact O-N 3.24Å; R427-T430 VanDerWaalsContact CA-OG1 3.29Å; R427-T430 WeakPolarHBondContact CA-OG1 3.46Å; R427-T430 PolarHBondContact O-N 3.09Å; R427-T430 VanDerWaalsContact O-N 3.15Å; R427-T430 PolarHBondContact O-OG1 2.99Å; R427-E431 VanDerWaalsContact O-CB 3.32Å; R427-E431 WeakPolarHBondContact O-CB 3.3Å; R427-E431 VanDerWaalsContact O-CG 3.28Å; R427-E431 WeakPolarHBondContact O-CG 3.33Å; R427-E431 PolarHBondContact O-N 3.18Å
428	M	93.5	Very high	91.8	Very high	50 Å²	50	53.1 Å²	53.1	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-36.6	177.9	-75.7	178.9	61.6	0	0	112.6	I419 P420 R424 G425 Y426 G433 I464	I419-M428 HydrophobicContact CG2-CE 4.46Å; P420-M428 HydrophobicContact CG-SD 3.98Å; R424-M428 WeakPolarHBondContact O-CG 3.36Å; R424-M428 PolarHBondContact O-N 2.69Å; G425-M428 WeakPolarHBondContact O-CB 3.18Å; G425-M428 PolarHBondContact O-N 3.08Å; Y426-M428 VanDerWaalsContact C-N 3.34Å; Y426-M428 PolarHBondContact O-N 2.86Å; M428-G433 VanDerWaalsContact O-CA 3.25Å; M428-G433 WeakPolarHBondContact O-CA 3.21Å; M428-G433 PolarHBondContact O-N 2.8Å; M428-I464 HydrophobicContact CE-CG2 3.45Å; M428-I464 VanDerWaalsContact CE-CG2 3.45Å
429	I	94.6	Very high	91.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-70.8	-50.9	174.2	-62.8	163	0	0	0	109.6	V409 L410 I419 G425 Y426 R427 E431 G432 V434 T442 P444	V409-I429 HydrophobicContact CG1-CD1 4.33Å; V409-I429 HydrophobicContact CG1-CG2 4.42Å; L410-I429 HydrophobicContact CB-CD1 4.29Å; L410-I429 HydrophobicContact CD1-CD1 3.76Å; I419-I429 HydrophobicContact CD1-CD1 3.82Å; I419-I429 HydrophobicContact CD1-CG1 4.41Å; G425-I429 PolarHBondContact O-N 3.37Å; Y426-I429 PolarHBondContact O-N 3.1Å; R427-I429 PolarHBondContact O-N 3.24Å; I429-E431 PolarHBondContact O-N 3.34Å; I429-G432 WeakPolarHBondContact O-CA 3.32Å; I429-G432 PolarHBondContact O-N 3.17Å; I429-V434 HydrophobicContact CB-CG2 4.4Å; I429-V434 HydrophobicContact CG1-CB 4.16Å; I429-V434 HydrophobicContact CG1-CG2 3.61Å; I429-T442 WeakPolarHBondContact O-CA 3.32Å; I429-P444 HydrophobicContact CB-CB 4.44Å; I429-P444 HydrophobicContact CB-CG 4Å; I429-P444 HydrophobicContact CD1-CB 4.16Å; I429-P444 HydrophobicContact CG2-CB 4.23Å; I429-P444 HydrophobicContact CG2-CG 3.85Å
430	T	94.1	Very high	91.7	Very high	59 Å²	59	65.2 Å²	65.2	36%	0.362	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-32.3	-177.1	54.7	0	0	0	0	113.9	Y426 R427 G432 T442 P444	Y426-T430 HydrophobicContact CD1-CG2 4.02Å; Y426-T430 HydrophobicContact CE1-CG2 3.69Å; Y426-T430 PolarHBondContact O-N 3.33Å; Y426-T430 VanDerWaalsContact O-N 3.14Å; Y426-T430 PolarHBondContact O-OG1 3.45Å; R427-T430 VanDerWaalsContact CA-OG1 3.29Å; R427-T430 WeakPolarHBondContact CA-OG1 3.46Å; R427-T430 PolarHBondContact O-N 3.09Å; R427-T430 VanDerWaalsContact O-N 3.15Å; R427-T430 PolarHBondContact O-OG1 2.99Å; T430-G432 PolarHBondContact O-N 3.4Å; T430-T442 WeakPolarHBondContact CA-O 3.21Å; T430-P444 HydrophobicContact CG2-CG 3.63Å
431	E	94.2	Very high	91.8	Very high	147 Å²	147	63.6 Å²	63.6	69%	0.687	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	2	176.3	-67.3	169.9	-174.4	0	0	112.5	R427 I429	R427-E431 VanDerWaalsContact O-CB 3.32Å; R427-E431 WeakPolarHBondContact O-CB 3.3Å; R427-E431 VanDerWaalsContact O-CG 3.28Å; R427-E431 WeakPolarHBondContact O-CG 3.33Å; R427-E431 PolarHBondContact O-N 3.18Å; I429-E431 PolarHBondContact O-N 3.34Å
432	G	92	Very high	92.2	Very high	12 Å²	12	61.7 Å²	61.7	12%	0.124	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	21.2	176.9	0	0	0	0	0	114	I429 T430 V434 Q440	I429-G432 WeakPolarHBondContact O-CA 3.32Å; I429-G432 PolarHBondContact O-N 3.17Å; T430-G432 PolarHBondContact O-N 3.4Å; G432-V434 PolarHBondContact O-N 3.24Å; G432-Q440 VanDerWaalsContact CA-NE2 3.29Å; G432-Q440 PolarHBondContact O-NE2 3.31Å
433	G	91.8	Very high	92.5	Very high	28 Å²	28	64.3 Å²	64.3	29%	0.289	31%	0.313	S	S	.	.			trans	-72.9	-5.1	175.3	0	0	0	0	0	114.2	M428 G465	M428-G433 VanDerWaalsContact O-CA 3.25Å; M428-G433 WeakPolarHBondContact O-CA 3.21Å; M428-G433 PolarHBondContact O-N 2.8Å; G433-G465 PolarHBondContact O-N 3.15Å
434	V	94.4	Very high	92.6	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.5	-178.6	-178.7	0	0	0	0	110.6	I419 I429 G432 V441 I464	I419-V434 HydrophobicContact CG2-CG2 4.23Å; I429-V434 HydrophobicContact CB-CG2 4.4Å; I429-V434 HydrophobicContact CG1-CB 4.16Å; I429-V434 HydrophobicContact CG1-CG2 3.61Å; G432-V434 PolarHBondContact O-N 3.24Å; V434-V441 PolarHBondContact O-N 2.91Å; V434-I464 HydrophobicContact CB-CD1 4.23Å; V434-I464 HydrophobicContact CG1-CD1 3.89Å; V434-I464 HydrophobicContact CG2-CD1 3.65Å
435	S	93.1	Very high	92.7	Very high	18 Å²	18	56.1 Å²	56.1	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.5	169.6	52.8	0	0	0	0	110.9	R439 L462 K463	S435-R439 CarbonylContact C-O 3.55Å; S435-R439 WeakPolarHBondContact CA-O 3.46Å; S435-R439 VanDerWaalsContact CB-O 3.26Å; S435-R439 WeakPolarHBondContact CB-O 3.45Å; S435-L462 CarbonylContact O-C 3.49Å; S435-L462 WeakPolarHBondContact O-CA 3.49Å; S435-K463 PolarHBondContact N-O 2.85Å; S435-K463 PolarHBondContact O-N 3.24Å; S435-K463 WeakPolarHBondContact OG-CB 3.31Å; S435-K463 PolarHBondContact OG-O 2.91Å
436	I	93.2	Very high	92.9	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.5	175.2	-52.2	-170.4	0	0	0	107.2	V409 H438 R439 V441 L448 H453 L461 L462	V409-I436 HydrophobicContact CG1-CD1 4.08Å; V409-I436 HydrophobicContact CG2-CD1 3.81Å; I436-H438 PolarHBondContact O-N 2.83Å; I436-R439 PolarHBondContact N-O 2.83Å; I436-R439 WeakPolarHBondContact O-CB 3.49Å; I436-R439 PolarHBondContact O-N 3.4Å; I436-V441 HydrophobicContact CB-CG2 4.21Å; I436-V441 HydrophobicContact CD1-CG2 4.19Å; I436-V441 HydrophobicContact CG1-CG2 3.86Å; I436-L448 HydrophobicContact CD1-CD2 4.3Å; I436-H453 HydrophobicContact CG2-CB 4.38Å; I436-H453 WeakPolarHBondContact CG2-O 3.32Å; I436-L461 CarbonylContact C-O 3.54Å; I436-L461 WeakPolarHBondContact CA-O 3.45Å; I436-L462 HydrophobicContact CB-CD2 4.37Å; I436-L462 HydrophobicContact CD1-CD2 3.85Å; I436-L462 HydrophobicContact CG1-CD2 3.61Å; I436-L462 HydrophobicContact CG2-CD2 4.25Å
437	N	89.6	Confident	92.9	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	45.1	-178.3	-52.1	-31.8	0	0	0	112	I378 R439 Q452 H453 L455 L461	I378-N437 VanDerWaalsContact CD1-O 3.24Å; I378-N437 WeakPolarHBondContact CD1-O 3.36Å; I378-N437 WeakPolarHBondContact CG1-O 3.5Å; N437-R439 PolarHBondContact O-N 3.25Å; N437-R439 VanDerWaalsContact O-N 3.11Å; N437-Q452 PolarHBondContact ND2-O 3Å; N437-H453 PolarHBondContact ND2-O 3.32Å; N437-L455 HydrophobicContact CB-CD2 4.04Å; N437-L455 WeakPolarHBondContact ND2-CD2 3.39Å; N437-L461 PolarHBondContact N-O 2.92Å; N437-L461 PolarHBondContact OD1-N 3.17Å
438	H	87.1	Confident	92.8	Very high	45 Å²	45	49.8 Å²	49.8	21%	0.208	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	5.6	-175.9	-54.6	-70.3	0	0	0	116.5	A372 S376 I436	A372-H438 PolarHBondContact O-NE2 3.25Å; S376-H438 VanDerWaalsContact CB-CG 3.48Å; S376-H438 PolarHBondContact OG-ND1 2.9Å; I436-H438 PolarHBondContact O-N 2.83Å
439	R	88.9	Confident	92.6	Very high	136 Å²	136	50.7 Å²	50.7	51%	0.513	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.5	173	-61.6	-178.2	-178.3	176	2.5	109.5	I378 S435 I436 N437	I378-R439 HydrophobicContact CD1-CG 4.37Å; S435-R439 CarbonylContact C-O 3.55Å; S435-R439 WeakPolarHBondContact CA-O 3.46Å; S435-R439 VanDerWaalsContact CB-O 3.26Å; S435-R439 WeakPolarHBondContact CB-O 3.45Å; I436-R439 PolarHBondContact N-O 2.83Å; I436-R439 WeakPolarHBondContact O-CB 3.49Å; I436-R439 PolarHBondContact O-N 3.4Å; N437-R439 PolarHBondContact O-N 3.25Å; N437-R439 VanDerWaalsContact O-N 3.11Å
440	Q	93.3	Very high	92.2	Very high	135 Å²	135	54.3 Å²	54.3	63%	0.631	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	137.5	177.1	-167.3	176.1	27.9	0	0	109.9	G432	G432-Q440 VanDerWaalsContact CA-NE2 3.29Å; G432-Q440 PolarHBondContact O-NE2 3.31Å
441	V	93.4	Very high	91.7	Very high	16 Å²	16	53.9 Å²	53.9	10%	0.097	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.5	177	-173.2	0	0	0	0	109.5	V409 V434 I436	V409-V441 HydrophobicContact CG1-CG1 4.17Å; V409-V441 HydrophobicContact CG2-CG1 4.11Å; V434-V441 PolarHBondContact O-N 2.91Å; I436-V441 HydrophobicContact CB-CG2 4.21Å; I436-V441 HydrophobicContact CD1-CG2 4.19Å; I436-V441 HydrophobicContact CG1-CG2 3.86Å
442	T	94.1	Very high	91.3	Very high	82 Å²	82	51.4 Å²	51.4	50%	0.503	29%	0.289	S	S	.	.			trans	-117.8	-6.2	-176.7	54.4	0	0	0	0	114.1	I429 T430 P444	I429-T442 WeakPolarHBondContact O-CA 3.32Å; T430-T442 WeakPolarHBondContact CA-O 3.21Å; T442-P444 WeakPolarHBondContact O-CD 3.28Å
443	N	94.8	Very high	91.2	Very high	86 Å²	86	51.4 Å²	51.4	46%	0.46	29%	0.285	S	S	.	.			trans	-105.2	106.1	176.7	-176.8	3.4	0	0	0	110.3	E445 S446	N443-E445 VanDerWaalsContact C-N 3.29Å; N443-E445 PolarHBondContact O-N 2.95Å; N443-E445 PolarHBondContact OD1-N 3.47Å; N443-S446 VanDerWaalsContact O-CB 3.32Å; N443-S446 WeakPolarHBondContact O-CB 3.13Å; N443-S446 PolarHBondContact O-N 3.07Å
444	P	93.1	Very high	91.2	Very high	3 Å²	3	50 Å²	50	2%	0.019	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.8	-179.5	-20.6	33	0	0	0	113.4	V409 L410 Y426 I429 T430 T442 S446	V409-P444 PolarHBondContact N-O 3.45Å; L410-P444 HydrophobicContact CB-CB 3.97Å; L410-P444 WeakPolarHBondContact CB-O 3.26Å; L410-P444 HydrophobicContact CD1-CB 4.48Å; L410-P444 HydrophobicContact CD2-CB 4.44Å; L410-P444 PolarHBondContact N-O 2.66Å; Y426-P444 HydrophobicContact CD1-CG 4.27Å; Y426-P444 HydrophobicContact CD2-CB 3.89Å; Y426-P444 HydrophobicContact CD2-CG 3.95Å; Y426-P444 HydrophobicContact CE1-CG 4.01Å; Y426-P444 HydrophobicContact CE2-CB 3.66Å; Y426-P444 HydrophobicContact CE2-CG 3.67Å; Y426-P444 HydrophobicContact CG-CG 4.24Å; I429-P444 HydrophobicContact CB-CB 4.44Å; I429-P444 HydrophobicContact CB-CG 4Å; I429-P444 HydrophobicContact CD1-CB 4.16Å; I429-P444 HydrophobicContact CG2-CB 4.23Å; I429-P444 HydrophobicContact CG2-CG 3.85Å; T430-P444 HydrophobicContact CG2-CG 3.63Å; T442-P444 WeakPolarHBondContact O-CD 3.28Å; P444-S446 PolarHBondContact O-N 3.31Å
445	E	94.4	Very high	90.9	Very high	107 Å²	107	50.3 Å²	50.3	50%	0.5	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	1.1	-177.3	-55.3	-56.7	141.7	0	0	112.6	N443 V447	N443-E445 VanDerWaalsContact C-N 3.29Å; N443-E445 PolarHBondContact O-N 2.95Å; N443-E445 PolarHBondContact OD1-N 3.47Å; E445-V447 PolarHBondContact O-N 3.38Å; E445-V447 VanDerWaalsContact O-N 3.17Å
446	S	93.8	Very high	90.5	Very high	32 Å²	32	56.9 Å²	56.9	22%	0.224	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-61.4	121.7	176.6	-174.5	0	0	0	0	109.7	S408 V409 N443 P444	S408-S446 CarbonylContact C-O 3.55Å; S408-S446 WeakPolarHBondContact CA-O 3.48Å; V409-S446 WeakPolarHBondContact CG2-O 3.4Å; V409-S446 PolarHBondContact N-O 2.97Å; N443-S446 VanDerWaalsContact O-CB 3.32Å; N443-S446 WeakPolarHBondContact O-CB 3.13Å; N443-S446 PolarHBondContact O-N 3.07Å; P444-S446 PolarHBondContact O-N 3.31Å
447	V	93.8	Very high	90.1	Very high	71 Å²	71	58.7 Å²	58.7	43%	0.43	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-68.1	141.6	173.4	-178.6	0	0	0	0	109.5	E445	E445-V447 PolarHBondContact O-N 3.38Å; E445-V447 VanDerWaalsContact O-N 3.17Å
448	L	92.5	Very high	90	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.068	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-67.5	142	175.6	-62.3	-171.3	0	0	0	111.3	L403 T407 V409 T412 I436 H453 I454 W474	L403-L448 HydrophobicContact CD1-CB 4.34Å; L403-L448 HydrophobicContact CD1-CD1 4.24Å; T407-L448 HydrophobicContact CG2-CD1 4.12Å; T407-L448 HydrophobicContact CG2-CG 4.49Å; T407-L448 PolarHBondContact O-N 2.81Å; V409-L448 HydrophobicContact CG2-CD2 3.76Å; T412-L448 HydrophobicContact CG2-CD1 4.15Å; T412-L448 VanDerWaalsContact OG1-CD1 3.24Å; T412-L448 WeakPolarHBondContact OG1-CD1 3.33Å; I436-L448 HydrophobicContact CD1-CD2 4.3Å; L448-H453 HydrophobicContact CB-CB 4.29Å; L448-H453 HydrophobicContact CD2-CB 3.73Å; L448-I454 HydrophobicContact CB-CD1 4.3Å; L448-I454 HydrophobicContact CD1-CD1 4.45Å; L448-W474 HydrophobicContact CD1-CH2 3.43Å; L448-W474 VanDerWaalsContact CD1-CH2 3.43Å; L448-W474 HydrophobicContact CD1-CZ2 3.19Å
449	V	89.1	Confident	90	Very high	69 Å²	69	56.8 Å²	56.8	42%	0.418	30%	0.301	S	S	.	.			trans	-130.8	129.1	-176.6	179.6	0	0	0	0	108.7	Q452 H453 I454	V449-Q452 HydrophobicContact CB-CB 4.27Å; V449-Q452 HydrophobicContact CG1-CB 4.46Å; V449-Q452 PolarHBondContact O-N 3.47Å; V449-H453 PolarHBondContact N-ND1 3.38Å; V449-H453 VanDerWaalsContact N-ND1 3.15Å; V449-H453 PolarHBondContact O-N 3.41Å; V449-I454 PolarHBondContact O-N 2.84Å
450	V	86.6	Confident	90.1	Very high	75 Å²	75	50.4 Å²	50.4	46%	0.455	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-65.5	134.3	174.8	-176.2	0	0	0	0	109.8	L403 Q452 I454 L477	L403-V450 HydrophobicContact CD2-CG2 4.41Å; V450-Q452 VanDerWaalsContact C-N 3.3Å; V450-I454 HydrophobicContact CG2-CD1 4.27Å; V450-L477 HydrophobicContact CG2-CD2 4.36Å
451	G	82.3	Confident	90	Very high	50 Å²	50	44.4 Å²	44.4	52%	0.515	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-7.8	-172.9	0	0	0	0	0	114.8	I454	G451-I454 WeakPolarHBondContact CA-O 3.48Å; G451-I454 PolarHBondContact N-O 3.38Å
452	Q	85.7	Confident	89.9	Confident	96 Å²	96	43.7 Å²	43.7	45%	0.449	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-64.8	175.5	-178.3	178.1	2	0	0	111.5	N437 V449 V450	N437-Q452 PolarHBondContact ND2-O 3Å; V449-Q452 HydrophobicContact CB-CB 4.27Å; V449-Q452 HydrophobicContact CG1-CB 4.46Å; V449-Q452 PolarHBondContact O-N 3.47Å; V450-Q452 VanDerWaalsContact C-N 3.3Å
453	H	90.4	Very high	89.8	Confident	11 Å²	11	42.3 Å²	42.3	5%	0.051	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-30.7	179.3	-56.6	105.5	0	0	0	111.3	I436 N437 L448 V449 S460	I436-H453 HydrophobicContact CG2-CB 4.38Å; I436-H453 WeakPolarHBondContact CG2-O 3.32Å; N437-H453 PolarHBondContact ND2-O 3.32Å; L448-H453 HydrophobicContact CB-CB 4.29Å; L448-H453 HydrophobicContact CD2-CB 3.73Å; V449-H453 PolarHBondContact N-ND1 3.38Å; V449-H453 VanDerWaalsContact N-ND1 3.15Å; V449-H453 PolarHBondContact O-N 3.41Å; H453-S460 WeakPolarHBondContact O-CB 3.41Å; H453-S460 PolarHBondContact O-OG 2.79Å
454	I	90.9	Very high	89.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-112	118.3	177.6	-49.6	173.8	0	0	0	107.7	L403 L448 V449 V450 G451 W474 L477	L403-I454 HydrophobicContact CD1-CD1 3.83Å; L403-I454 HydrophobicContact CD2-CD1 3.57Å; L403-I454 HydrophobicContact CG-CD1 4.3Å; L448-I454 HydrophobicContact CB-CD1 4.3Å; L448-I454 HydrophobicContact CD1-CD1 4.45Å; V449-I454 PolarHBondContact O-N 2.84Å; V450-I454 HydrophobicContact CG2-CD1 4.27Å; G451-I454 WeakPolarHBondContact CA-O 3.48Å; G451-I454 PolarHBondContact N-O 3.38Å; I454-W474 HydrophobicContact CD1-CD2 4.09Å; I454-W474 HydrophobicContact CD1-CG 4.15Å; I454-W474 HydrophobicContact CG2-CG 4.1Å; I454-L477 HydrophobicContact CD1-CD2 4.33Å; I454-L477 HydrophobicContact CG2-CD2 3.67Å
455	L	88.3	Confident	89.4	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.031	23%	0.233	C	C	.	.			trans	-66.7	160.9	177.3	-61.4	-177	0	0	0	110.6	I378 L381 E382 N437 N457 G458 L459	I378-L455 HydrophobicContact CG2-CD2 3.59Å; L381-L455 HydrophobicContact CB-CD1 3.74Å; E382-L455 HydrophobicContact CG-CB 4.17Å; E382-L455 HydrophobicContact CG-CD1 4.39Å; E382-L455 HydrophobicContact CG-CD2 4Å; E382-L455 HydrophobicContact CG-CG 4.4Å; N437-L455 HydrophobicContact CB-CD2 4.04Å; N437-L455 WeakPolarHBondContact ND2-CD2 3.39Å; L455-N457 WeakPolarHBondContact CB-OD1 3.48Å; L455-N457 PolarHBondContact O-N 3.39Å; L455-N457 VanDerWaalsContact O-N 3.14Å; L455-G458 WeakPolarHBondContact O-CA 3.29Å; L455-G458 PolarHBondContact O-N 2.97Å; L455-L459 VanDerWaalsContact CB-O 3.29Å; L455-L459 WeakPolarHBondContact CB-O 3.39Å; L455-L459 WeakPolarHBondContact CG-O 3.19Å; L455-L459 PolarHBondContact N-O 3.19Å
456	K	85.2	Confident	88.6	Confident	156 Å²	156	44.4 Å²	44.4	68%	0.678	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.3	-178.1	-67.2	175.4	-166.2	137.1	0	114.4	E382 G458	E382-K456 IonicContact OE2-NZ 2.73Å; E382-K456 PolarHBondContact OE2-NZ 2.85Å; K456-G458 PolarHBondContact O-N 3.31Å
457	N	83.9	Confident	87.8	Confident	42 Å²	42	53 Å²	53	23%	0.225	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	10	173.2	60.3	-5.9	0	0	0	113.4	L381 E382 M384 L455 L459	L381-N457 PolarHBondContact O-ND2 3.44Å; E382-N457 WeakPolarHBondContact O-CB 3.44Å; E382-N457 PolarHBondContact O-ND2 3.48Å; M384-N457 PolarHBondContact O-ND2 3.47Å; L455-N457 WeakPolarHBondContact CB-OD1 3.48Å; L455-N457 PolarHBondContact O-N 3.39Å; L455-N457 VanDerWaalsContact O-N 3.14Å; N457-L459 HydrophobicContact CB-CD1 4.16Å; N457-L459 VanDerWaalsContact CG-CD1 3.44Å; N457-L459 VanDerWaalsContact ND2-CD1 3.32Å; N457-L459 WeakPolarHBondContact ND2-CD1 3.47Å
458	G	87.6	Confident	87.5	Confident	2 Å²	2	54.1 Å²	54.1	2%	0.021	28%	0.279	C	S	.	.	S	Bend	trans	76	28.3	177.2	0	0	0	0	0	113.9	L455 K456 W474 L477	L455-G458 WeakPolarHBondContact O-CA 3.29Å; L455-G458 PolarHBondContact O-N 2.97Å; K456-G458 PolarHBondContact O-N 3.31Å; G458-W474 VanDerWaalsContact O-CD1 3.3Å; G458-W474 PolarHBondContact O-N 3.37Å; G458-L477 VanDerWaalsContact CA-CD1 3.47Å
459	L	88.6	Confident	87.3	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.5	-174.5	-72	147	0	0	0	112.4	L389 F398 L455 N457 I471 I472 K473	L389-L459 HydrophobicContact CD1-CD1 3.13Å; L389-L459 HydrophobicContact CD1-CD2 4.07Å; L389-L459 HydrophobicContact CD1-CG 4.15Å; F398-L459 HydrophobicContact CE2-CD2 4.24Å; L455-L459 VanDerWaalsContact CB-O 3.29Å; L455-L459 WeakPolarHBondContact CB-O 3.39Å; L455-L459 WeakPolarHBondContact CG-O 3.19Å; L455-L459 PolarHBondContact N-O 3.19Å; N457-L459 HydrophobicContact CB-CD1 4.16Å; N457-L459 VanDerWaalsContact CG-CD1 3.44Å; N457-L459 VanDerWaalsContact ND2-CD1 3.32Å; N457-L459 WeakPolarHBondContact ND2-CD1 3.47Å; L459-I471 HydrophobicContact CD2-CG2 3.73Å; L459-I472 CarbonylContact C-O 3.38Å; L459-I472 VanDerWaalsContact CA-O 3.27Å; L459-I472 WeakPolarHBondContact CA-O 3.43Å; L459-K473 HydrophobicContact CD2-CB 3.67Å; L459-K473 HydrophobicContact CD2-CD 4.36Å; L459-K473 HydrophobicContact CD2-CG 4.13Å
460	S	91.1	Very high	87.3	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.6	170	-59.2	0	0	0	0	109.1	H453 I472 W474	H453-S460 WeakPolarHBondContact O-CB 3.41Å; H453-S460 PolarHBondContact O-OG 2.79Å; S460-I472 PolarHBondContact N-O 3.22Å; S460-I472 PolarHBondContact O-N 2.87Å; S460-W474 PolarHBondContact OG-NE1 3.29Å
461	L	90.3	Very high	87.4	Confident	9 Å²	9	50.8 Å²	50.8	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	105.5	171.8	-179.4	67	0	0	0	109.1	L381 F393 I436 N437 F469 I471	L381-L461 HydrophobicContact CD1-CD2 3.89Å; L381-L461 HydrophobicContact CD2-CD2 4.43Å; F393-L461 HydrophobicContact CD1-CD1 4.35Å; F393-L461 HydrophobicContact CD2-CD1 4.46Å; F393-L461 HydrophobicContact CE1-CD1 3.84Å; F393-L461 HydrophobicContact CE1-CD2 4.25Å; F393-L461 HydrophobicContact CE2-CD1 3.92Å; F393-L461 HydrophobicContact CE2-CD2 4.31Å; F393-L461 HydrophobicContact CZ-CD1 3.6Å; F393-L461 HydrophobicContact CZ-CD2 3.6Å; F393-L461 HydrophobicContact CZ-CG 4.27Å; I436-L461 CarbonylContact C-O 3.54Å; I436-L461 WeakPolarHBondContact CA-O 3.45Å; N437-L461 PolarHBondContact N-O 2.92Å; N437-L461 PolarHBondContact OD1-N 3.17Å; L461-F469 HydrophobicContact CD1-CB 4.29Å; L461-F469 HydrophobicContact CD1-CD1 3.97Å; L461-F469 HydrophobicContact CD2-CD1 4.21Å; L461-F469 HydrophobicContact CD2-CE1 4.41Å; L461-F469 HydrophobicContact CG-CD1 4.2Å; L461-I471 HydrophobicContact CD1-CG1 4.11Å
462	L	92.3	Very high	87.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.5	170.1	-50.8	-177.6	0	0	0	109.5	T412 A416 A418 S435 I436 F469 Y470 I472	T412-L462 HydrophobicContact CG2-CD1 4.47Å; A416-L462 HydrophobicContact CB-CD1 4.25Å; A418-L462 HydrophobicContact CB-CD1 4.22Å; S435-L462 CarbonylContact O-C 3.49Å; S435-L462 WeakPolarHBondContact O-CA 3.49Å; I436-L462 HydrophobicContact CB-CD2 4.37Å; I436-L462 HydrophobicContact CD1-CD2 3.85Å; I436-L462 HydrophobicContact CG1-CD2 3.61Å; I436-L462 HydrophobicContact CG2-CD2 4.25Å; L462-F469 CarbonylContact O-C 3.51Å; L462-F469 VanDerWaalsContact O-CA 3.3Å; L462-F469 WeakPolarHBondContact O-CA 3.44Å; L462-Y470 PolarHBondContact N-O 2.79Å; L462-Y470 PolarHBondContact O-N 3.28Å; L462-I472 HydrophobicContact CD1-CD1 3.58Å; L462-I472 HydrophobicContact CD1-CG1 4.44Å; L462-I472 HydrophobicContact CD2-CD1 4.49Å; L462-I472 HydrophobicContact CG-CD1 3.96Å
463	K	91.5	Very high	88.1	Confident	54 Å²	54	45.8 Å²	45.8	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.8	169.3	173.4	-168.3	-178.1	-176.4	0	109.8	S435 G465 K466 N468 F469	S435-K463 PolarHBondContact N-O 2.85Å; S435-K463 PolarHBondContact O-N 3.24Å; S435-K463 WeakPolarHBondContact OG-CB 3.31Å; S435-K463 PolarHBondContact OG-O 2.91Å; K463-G465 VanDerWaalsContact CE-O 3.31Å; K463-G465 WeakPolarHBondContact CE-O 3.48Å; K463-K466 WeakPolarHBondContact CE-O 3.22Å; K463-N468 CarbonylContact C-O 3.53Å; K463-N468 VanDerWaalsContact CA-O 3.29Å; K463-N468 WeakPolarHBondContact CA-O 3.39Å; K463-F469 HydrophobicContact CB-CD1 3.82Å; K463-F469 HydrophobicContact CB-CE1 3.84Å; K463-F469 HydrophobicContact CD-CD1 4.48Å; K463-F469 HydrophobicContact CD-CE1 3.7Å; K463-F469 HydrophobicContact CD-CZ 3.96Å; K463-F469 HydrophobicContact CG-CD1 4.08Å; K463-F469 HydrophobicContact CG-CE1 3.77Å; K463-F469 HydrophobicContact CG-CZ 4.19Å
464	I	91.4	Very high	88.1	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.6	-179.7	-45.4	-63.3	0	0	0	108.5	A418 I419 M428 V434 K466 N468 Y470	A418-I464 HydrophobicContact CB-CD1 4.1Å; A418-I464 HydrophobicContact CB-CG1 4.03Å; A418-I464 WeakPolarHBondContact O-CG1 3.09Å; I419-I464 HydrophobicContact CG2-CD1 3.93Å; I419-I464 HydrophobicContact CG2-CG2 4.5Å; M428-I464 HydrophobicContact CE-CG2 3.45Å; M428-I464 VanDerWaalsContact CE-CG2 3.45Å; V434-I464 HydrophobicContact CB-CD1 4.23Å; V434-I464 HydrophobicContact CG1-CD1 3.89Å; V434-I464 HydrophobicContact CG2-CD1 3.65Å; I464-K466 PolarHBondContact O-N 3.48Å; I464-N468 HydrophobicContact CB-CB 4.21Å; I464-N468 PolarHBondContact N-O 3.28Å; I464-N468 WeakPolarHBondContact O-CB 3.4Å; I464-N468 PolarHBondContact O-N 3.14Å; I464-Y470 HydrophobicContact CG1-CD2 4.02Å; I464-Y470 HydrophobicContact CG1-CE2 3.78Å
465	G	86.9	Confident	87.7	Confident	46 Å²	46	49.2 Å²	49.2	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-131.5	-172.7	0	0	0	0	0	112.2	G433 K463	G433-G465 PolarHBondContact O-N 3.15Å; K463-G465 VanDerWaalsContact CE-O 3.31Å; K463-G465 WeakPolarHBondContact CE-O 3.48Å
466	K	79	Confident	86.8	Confident	187 Å²	187	55.3 Å²	55.3	81%	0.813	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-30.5	-172.1	-68.2	-173.4	179.9	179.9	0	114.8	K463 I464	K463-K466 WeakPolarHBondContact CE-O 3.22Å; I464-K466 PolarHBondContact O-N 3.48Å
467	R	76.8	Confident	85.7	Confident	213 Å²	213	54 Å²	54	80%	0.804	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	-11.6	-165.5	-67.3	-173.5	177.8	179.2	-0.2	115.7	F469	R467-F469 WeakPolarHBondContact O-CD2 3.29Å; R467-F469 PolarHBondContact O-N 3.23Å
468	N	86.4	Confident	85.7	Confident	93 Å²	93	54.6 Å²	54.6	50%	0.497	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	114.4	-175.1	-58.6	-13.5	0	0	0	108.6	K463 I464 Y470	K463-N468 CarbonylContact C-O 3.53Å; K463-N468 VanDerWaalsContact CA-O 3.29Å; K463-N468 WeakPolarHBondContact CA-O 3.39Å; I464-N468 HydrophobicContact CB-CB 4.21Å; I464-N468 PolarHBondContact N-O 3.28Å; I464-N468 WeakPolarHBondContact O-CB 3.4Å; I464-N468 PolarHBondContact O-N 3.14Å; N468-Y470 HydrophobicContact CB-CE2 4.17Å
469	F	88.4	Confident	85.7	Confident	42 Å²	42	57.3 Å²	57.3	18%	0.184	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.3	179	-65.3	-86.9	0	0	0	110.1	L373 F393 A396 L461 L462 K463 R467	L373-F469 HydrophobicContact CD1-CZ 4.37Å; F393-F469 HydrophobicContact CD1-CB 3.83Å; F393-F469 HydrophobicContact CD1-CD1 4.43Å; F393-F469 HydrophobicContact CD1-CD2 4.39Å; F393-F469 AromaticContact CD1-CG 3.99Å; F393-F469 HydrophobicContact CD1-CG 3.99Å; F393-F469 HydrophobicContact CE1-CB 4.02Å; F393-F469 AromaticContact CE1-CD1 3.76Å; F393-F469 HydrophobicContact CE1-CD1 3.76Å; F393-F469 HydrophobicContact CE1-CD2 4.22Å; F393-F469 HydrophobicContact CE1-CE1 4.22Å; F393-F469 AromaticContact CE1-CG 3.74Å; F393-F469 HydrophobicContact CE1-CG 3.74Å; A396-F469 HydrophobicContact CB-CB 4.17Å; A396-F469 WeakPolarHBondContact CB-O 3.44Å; L461-F469 HydrophobicContact CD1-CB 4.29Å; L461-F469 HydrophobicContact CD1-CD1 3.97Å; L461-F469 HydrophobicContact CD2-CD1 4.21Å; L461-F469 HydrophobicContact CD2-CE1 4.41Å; L461-F469 HydrophobicContact CG-CD1 4.2Å; L462-F469 CarbonylContact O-C 3.51Å; L462-F469 VanDerWaalsContact O-CA 3.3Å; L462-F469 WeakPolarHBondContact O-CA 3.44Å; K463-F469 HydrophobicContact CB-CD1 3.82Å; K463-F469 HydrophobicContact CB-CE1 3.84Å; K463-F469 HydrophobicContact CD-CD1 4.48Å; K463-F469 HydrophobicContact CD-CE1 3.7Å; K463-F469 HydrophobicContact CD-CZ 3.96Å; K463-F469 HydrophobicContact CG-CD1 4.08Å; K463-F469 HydrophobicContact CG-CE1 3.77Å; K463-F469 HydrophobicContact CG-CZ 4.19Å; R467-F469 WeakPolarHBondContact O-CD2 3.29Å; R467-F469 PolarHBondContact O-N 3.23Å
470	Y	90.6	Very high	85.5	Confident	41 Å²	41	60.2 Å²	60.2	16%	0.161	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.5	172.2	-57.3	-110.1	0	0	0	107.9	P397 A418 L462 I464 N468	P397-Y470 HydrophobicContact CB-CD1 3.85Å; P397-Y470 HydrophobicContact CB-CE1 4.32Å; P397-Y470 HydrophobicContact CG-CD1 3.62Å; P397-Y470 HydrophobicContact CG-CE1 3.67Å; A418-Y470 VanDerWaalsContact CA-CZ 3.47Å; A418-Y470 HydrophobicContact CB-CD1 3.87Å; A418-Y470 HydrophobicContact CB-CD2 3.69Å; A418-Y470 HydrophobicContact CB-CE1 3.89Å; A418-Y470 HydrophobicContact CB-CE2 3.75Å; A418-Y470 HydrophobicContact CB-CG 3.8Å; L462-Y470 PolarHBondContact N-O 2.79Å; L462-Y470 PolarHBondContact O-N 3.28Å; I464-Y470 HydrophobicContact CG1-CD2 4.02Å; I464-Y470 HydrophobicContact CG1-CE2 3.78Å; N468-Y470 HydrophobicContact CB-CE2 4.17Å
471	I	89.1	Confident	85.2	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.4	177	-58.5	163.8	0	0	0	108.6	L389 F393 P397 F398 S399 L459 L461	L389-I471 HydrophobicContact CB-CD1 4.26Å; F393-I471 HydrophobicContact CB-CD1 3.52Å; F393-I471 HydrophobicContact CB-CG1 4.3Å; F393-I471 HydrophobicContact CD2-CD1 3.64Å; F393-I471 HydrophobicContact CD2-CG1 4.18Å; F393-I471 HydrophobicContact CG-CD1 3.86Å; F393-I471 HydrophobicContact CG-CG1 4.34Å; P397-I471 PolarHBondContact O-N 3.42Å; F398-I471 WeakPolarHBondContact CA-O 3.28Å; F398-I471 HydrophobicContact CD2-CB 3.77Å; F398-I471 HydrophobicContact CD2-CD1 4.06Å; F398-I471 HydrophobicContact CD2-CG2 3.53Å; F398-I471 HydrophobicContact CE2-CB 4.37Å; F398-I471 HydrophobicContact CE2-CG2 3.61Å; S399-I471 PolarHBondContact N-O 3.06Å; L459-I471 HydrophobicContact CD2-CG2 3.73Å; L461-I471 HydrophobicContact CD1-CG1 4.11Å
472	I	91.1	Very high	84.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.4	173.5	-59.5	174.7	0	0	0	108.4	S399 F401 T412 A416 L459 S460 L462 W474	S399-I472 CarbonylContact O-C 3.45Å; S399-I472 WeakPolarHBondContact O-CA 3.32Å; F401-I472 HydrophobicContact CB-CG2 4.27Å; F401-I472 HydrophobicContact CD2-CB 4.45Å; F401-I472 HydrophobicContact CD2-CD1 4.15Å; F401-I472 HydrophobicContact CD2-CG1 4.29Å; F401-I472 HydrophobicContact CD2-CG2 3.39Å; F401-I472 HydrophobicContact CE2-CD1 3.8Å; F401-I472 HydrophobicContact CE2-CG1 3.96Å; F401-I472 HydrophobicContact CE2-CG2 3.96Å; F401-I472 HydrophobicContact CG-CG2 4.07Å; T412-I472 HydrophobicContact CG2-CD1 3.21Å; A416-I472 HydrophobicContact CB-CD1 4.03Å; A416-I472 HydrophobicContact CB-CG1 4.38Å; L459-I472 CarbonylContact C-O 3.38Å; L459-I472 VanDerWaalsContact CA-O 3.27Å; L459-I472 WeakPolarHBondContact CA-O 3.43Å; S460-I472 PolarHBondContact N-O 3.22Å; S460-I472 PolarHBondContact O-N 2.87Å; L462-I472 HydrophobicContact CD1-CD1 3.58Å; L462-I472 HydrophobicContact CD1-CG1 4.44Å; L462-I472 HydrophobicContact CD2-CD1 4.49Å; L462-I472 HydrophobicContact CG-CD1 3.96Å; I472-W474 HydrophobicContact CG2-CD2 4.12Å; I472-W474 HydrophobicContact CG2-CH2 4.34Å; I472-W474 HydrophobicContact CG2-CZ2 3.71Å
473	K	89.7	Confident	84.3	Confident	41 Å²	41	71.5 Å²	71.5	18%	0.178	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.3	169.7	-179.3	158.1	-178.1	158.4	0	110.1	D386 F398 S399 E400 F401 L459	D386-K473 IonicContact OD1-NZ 3.26Å; D386-K473 PolarHBondContact OD1-NZ 3.35Å; D386-K473 IonicContact OD2-NZ 3.14Å; D386-K473 PolarHBondContact OD2-NZ 3.45Å; F398-K473 HydrophobicContact CE1-CB 4.07Å; F398-K473 HydrophobicContact CE2-CB 4.44Å; F398-K473 HydrophobicContact CZ-CB 3.67Å; F398-K473 HydrophobicContact CZ-CD 3.92Å; F398-K473 HydrophobicContact CZ-CG 4.41Å; S399-K473 PolarHBondContact O-N 3.24Å; E400-K473 CarbonylContact C-O 3.55Å; E400-K473 VanDerWaalsContact CA-O 3.3Å; E400-K473 WeakPolarHBondContact CA-O 3.25Å; E400-K473 HydrophobicContact CG-CB 4.28Å; F401-K473 PolarHBondContact N-O 3.01Å; L459-K473 HydrophobicContact CD2-CB 3.67Å; L459-K473 HydrophobicContact CD2-CD 4.36Å; L459-K473 HydrophobicContact CD2-CG 4.13Å
474	W	90.6	Very high	83.8	Confident	9 Å²	9	72.8 Å²	72.8	3%	0.034	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.5	179.4	-59.3	95.5	0	0	0	109.4	F401 F402 L403 T407 T412 L448 I454 G458 S460 I472 L477	F401-W474 HydrophobicContact CB-CE3 3.92Å; F401-W474 HydrophobicContact CB-CH2 4.39Å; F401-W474 HydrophobicContact CB-CZ3 3.77Å; F401-W474 HydrophobicContact CD2-CH2 4.33Å; F401-W474 WeakPolarHBondContact O-CA 3.38Å; F402-W474 WeakPolarHBondContact O-CZ3 3.43Å; L403-W474 HydrophobicContact CB-CD2 4.46Å; L403-W474 HydrophobicContact CB-CE3 3.67Å; L403-W474 HydrophobicContact CB-CZ3 4.06Å; L403-W474 HydrophobicContact CD1-CD2 4.42Å; L403-W474 HydrophobicContact CD1-CE3 3.88Å; L403-W474 HydrophobicContact CD1-CH2 4.01Å; L403-W474 HydrophobicContact CD1-CZ3 3.64Å; L403-W474 HydrophobicContact CG-CE3 4.36Å; L403-W474 HydrophobicContact CG-CZ3 4.48Å; T407-W474 HydrophobicContact CG2-CH2 4.09Å; T412-W474 HydrophobicContact CG2-CH2 4.2Å; T412-W474 HydrophobicContact CG2-CZ2 3.97Å; L448-W474 HydrophobicContact CD1-CH2 3.43Å; L448-W474 VanDerWaalsContact CD1-CH2 3.43Å; L448-W474 HydrophobicContact CD1-CZ2 3.19Å; I454-W474 HydrophobicContact CD1-CD2 4.09Å; I454-W474 HydrophobicContact CD1-CG 4.15Å; I454-W474 HydrophobicContact CG2-CG 4.1Å; G458-W474 VanDerWaalsContact O-CD1 3.3Å; G458-W474 PolarHBondContact O-N 3.37Å; S460-W474 PolarHBondContact OG-NE1 3.29Å; I472-W474 HydrophobicContact CG2-CD2 4.12Å; I472-W474 HydrophobicContact CG2-CH2 4.34Å; I472-W474 HydrophobicContact CG2-CZ2 3.71Å; W474-L477 HydrophobicContact CB-CD2 3.67Å; W474-L477 HydrophobicContact CB-CG 4.41Å; W474-L477 HydrophobicContact CG-CD2 4.32Å
475	L	83.3	Confident	83.3	Confident	74 Å²	74	77.8 Å²	77.8	39%	0.387	37%	0.373	S	S	.	.	S	Bend	trans	-83.1	-17.8	-171	-65.9	179.5	0	0	0	114.2	E400 F401 F402	E400-L475 HydrophobicContact CB-CD1 3.93Å; E400-L475 HydrophobicContact CB-CD2 4.23Å; E400-L475 HydrophobicContact CB-CG 4.06Å; E400-L475 HydrophobicContact CG-CD2 4.35Å; F401-L475 PolarHBondContact O-N 3.2Å; F402-L475 HydrophobicContact CD1-CB 4.42Å; F402-L475 HydrophobicContact CE1-CB 4.14Å; F402-L475 HydrophobicContact CE2-CD1 4.32Å; F402-L475 HydrophobicContact CZ-CB 4.47Å; F402-L475 HydrophobicContact CZ-CD1 4.12Å
476	Q	69.5	Low	82.9	Confident	135 Å²	135	80.5 Å²	80.5	63%	0.631	37%	0.365	S	S	*	.			trans	-143.4	114.7	175.1	-72.4	178.1	-25.3	0	0	107.4	F402	F402-Q476 HydrophobicContact CD1-CB 4.38Å; F402-Q476 HydrophobicContact CD1-CG 4.23Å; F402-Q476 HydrophobicContact CE1-CG 4.16Å
477	L	61.1	Low	83.3	Confident	127 Å²	127	70.8 Å²	70.8	67%	0.665	32%	0.324	S	S	*	.			trans	-101.8	0	178.6	-68.6	173.8	0	0	0	111.6	V450 I454 G458 W474	V450-L477 HydrophobicContact CG2-CD2 4.36Å; I454-L477 HydrophobicContact CD1-CD2 4.33Å; I454-L477 HydrophobicContact CG2-CD2 3.67Å; G458-L477 VanDerWaalsContact CA-CD1 3.47Å; W474-L477 HydrophobicContact CB-CD2 3.67Å; W474-L477 HydrophobicContact CB-CG 4.41Å; W474-L477 HydrophobicContact CG-CD2 4.32Å

Retrieved 477 of 477 residues in 144.1 ms (Link to these results)

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