A0A087WQK5_MOUSE Loading...

alpha-1,2-Mannosidase

Involved in endoplasmic reticulum-associated degradation (ERAD). Accelerates the glycoprotein ERAD by proteasomes, by catalyzing mannose trimming from Man8GlcNAc2 to Man7GlcNAc2 in the N-glycans. May also participate in mannose trimming from all glycoproteins and not just misfolded ones targeted to ERAD. May have alpha 1,2-mannosidase activity.

AlphaFold DB , UniProt , Accession A0A087WQK5, Species MOUSE (Mus musculus, Mouse), Gene Edem3, Length 917 aa.

						>A0A087WQK5_MOUSE|A0A087WQK5|Edem3
MSKAGGCRGCGCRVPQRASWSLVAATAALCLVLATSVCTAGAAPMSREEKQKLGNQVLEMFDHAYGNYMEHAYPADELMPLTCRGRVRGQEPSRGDVDDALGKFSLTLIDSLDTLVVLNKTKEFEDAVRKVLRDVNLDNDVVVSVFETNIRVLGGLLGGHSLAIMLKEKGEHMQWYNDELLHMAKQLGYKLLPAFNTTSGLPYPRINLKFGIRKPEARTGTETDTCTACAGTLILEFAALSRFTGATIFEEYARKALDFLWEKRQRSSNLVGVTINIHTGDWVRKDSGVGAGIDSYYEYLLKAYVLLGDDSFLERFNTHYDAIMRYISQPPLLLDVHIHKPMLNARTWMDALLAFFPGLQVLKGDIRPAIETHEMLYQVIKKHNFLPEAFTTDFRVHWAQHPLRPEFAESTYFLYKATGDPYYLEVGKTLIENLNKYARVPCGFAAMKDVRTGSHEDRMDSFFLAEMFKYLYLLFADKEDIIFDIEDYIFTTEAHLLPLWLSTTNRSISKKNTTSEYTELDDSNFDWTCPNTQILFPNDPLYAQSIREPLKNVVDKSCPRGIIRVEESFRSGAKPPLRARDFMATNPEHLEILKKMGAASSIDAEDGLRFMQEMIELSSQQQKEQQLPPRAVQIISHPFFGRVVLTAGPAQFGLDLSKHKETRGFVASSKPYNGCSELTNPEAVMGKIALIQRGQCMFAEKARNIQNAGAIGGIVIDDNEGSSSDTAPLFQMAGDGKDTDDIKIPMLFLFSKEGSIILDAIREHEQVEVLLSDKARDRAAILKDPEMENEDQPSSENDSQNQSAEQMLSLSQTVDLADKESPEHPADSHSEASPSDSEEAAGFAPSEQISGSTENHETTSLDGECTDLDNQVQEQSETEEDSSPNVSWGTKAQPIDSILADWNEDIEAFEMMEKDEL
					

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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	29.9	Very low	30.7	Very low	233 Å²	233	133.8 Å²	133.8	100%	1.148	87%	0.866	S	S	*	*				0	146.9	0	-69.2	161.2	66.5	0	0	108.8
2	S	29.6	Very low	30.3	Very low	122 Å²	122	134.4 Å²	134.4	85%	0.853	87%	0.873	S	S	*	*			trans	59.5	146.1	162.6	-55.9	0	0	0	0	120.1
3	K	33.6	Very low	30.3	Very low	209 Å²	209	142.9 Å²	142.9	91%	0.909	88%	0.877	S	S	*	*			trans	-76.6	149.1	168.5	-57.1	171.7	179.8	175.8	0	110.4
4	A	38.7	Very low	30.3	Very low	106 Å²	106	142.5 Å²	142.5	88%	0.876	87%	0.874	S	S	*	*				169.9	161.3	127.6	0	0	0	0	0	112.6
5	G	32	Very low	30.8	Very low	83 Å²	83	141 Å²	141	86%	0.856	87%	0.867	S	S	*	*			trans	95.7	135.9	172.6	0	0	0	0	0	113.8
6	G	30.6	Very low	31.2	Very low	76 Å²	76	144.3 Å²	144.3	78%	0.784	87%	0.869	S	S	*	*			trans	-161.1	175.7	-176.2	0	0	0	0	0	115.9
7	C	26.1	Very low	31.5	Very low	114 Å²	114	150.2 Å²	150.2	77%	0.77	87%	0.873	S	S	*	*			trans	67.3	106.5	168.8	-79.6	0	0	0	0	120.5
8	R	31.9	Very low	31.8	Very low	247 Å²	247	146.7 Å²	146.7	93%	0.932	86%	0.864	S	S	*	*			trans	66.5	141.7	138.9	-51.7	-179.7	-174.4	-148.2	0.4	118.5
9	G	30.1	Very low	32.3	Very low	67 Å²	67	144.1 Å²	144.1	69%	0.691	86%	0.855	S	S	*	*			cis	159.3	164.9	-9.1	0	0	0	0	0	114.2
10	C	28.3	Very low	32.7	Very low	144 Å²	144	147.9 Å²	147.9	97%	0.973	85%	0.854	S	S	*	*			trans	70.4	143.5	174.3	-51.3	0	0	0	0	117.1
11	G	26.6	Very low	33.3	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	84%	0.844	S	S	*	*			cis	165.6	165.2	-8.1	0	0	0	0	0	113.2
12	C	26.3	Very low	34	Very low	141 Å²	141	140.8 Å²	140.8	95%	0.953	82%	0.824	S	S	*	*			trans	-156.9	171	167.6	-105.8	0	0	0	0	112.9
13	R	30	Very low	35.1	Very low	245 Å²	245	140.1 Å²	140.1	93%	0.925	81%	0.814	S	S	*	*			trans	-105.9	156.2	-160.3	-63.5	177	172.9	177.9	-3.4	115.5
14	V	30.7	Very low	35.8	Very low	137 Å²	137	133.1 Å²	133.1	83%	0.83	80%	0.796	S	S	*	*			trans	-142.4	144.5	166	-178	0	0	0	0	109.2
15	P	37.2	Very low	36.3	Very low	120 Å²	120	131 Å²	131	78%	0.779	78%	0.778	S	S	*	*			trans	-90	179.6	180	35.9	-36.1	0	0	0	115.2
16	Q	38.4	Very low	37.3	Very low	193 Å²	193	131.1 Å²	131.1	90%	0.902	76%	0.762	S	S	*	*			trans	-79.2	155.5	-161.4	-61.6	158.6	-58.2	0	0	116.4
17	R	36	Very low	38.2	Very low	245 Å²	245	129.7 Å²	129.7	93%	0.925	74%	0.743	S	S	*	*			trans	-137.2	159.1	153.5	-88.6	-171.2	170.7	-174.2	-2.7	110.2
18	A	35.9	Very low	39.5	Very low	87 Å²	87	126.9 Å²	126.9	72%	0.719	73%	0.728	S	S	*	*			trans	-89.3	161.9	-167.6	0	0	0	0	0	115.1
19	S	42.1	Very low	40.3	Very low	98 Å²	98	120.6 Å²	120.6	69%	0.685	71%	0.712	S	S	*	*			trans	-3.2	111.5	173.4	-162.3	0	0	0	0	118.6
20	W	40.8	Very low	41.1	Very low	220 Å²	220	121.3 Å²	121.3	83%	0.833	71%	0.706	S	S	*	*			trans	-94.7	-8.4	166.7	-80.1	44.7	0	0	0	113.1	L22 A24	W20-L22 PolarHBondContact O-N 3.5Å; W20-A24 PolarHBondContact O-N 2.03Å
21	S	45.3	Very low	41.9	Very low	92 Å²	92	120.2 Å²	120.2	64%	0.643	69%	0.69	S	S	*	*	H	α-helix	trans	-67.5	-32.5	-164.3	-52.2	0	0	0	0	114.6	A25	S21-A25 PolarHBondContact O-N 3.34Å
22	L	44.5	Very low	42.8	Very low	140 Å²	140	121.4 Å²	121.4	73%	0.733	68%	0.683	S	S	*	*	H	α-helix	trans	-75.3	-39.8	-176	-139.4	76.6	0	0	0	112.5	W20 A25 T26	W20-L22 PolarHBondContact O-N 3.5Å; L22-A25 PolarHBondContact O-N 3.41Å; L22-T26 PolarHBondContact O-N 2.7Å; L22-T26 PolarHBondContact O-OG1 2.55Å
23	V	51.1	Low	43.4	Very low	108 Å²	108	119.8 Å²	119.8	66%	0.655	66%	0.664	S	S	*	*	H	α-helix	trans	-70.6	-35.6	178.8	-176.7	0	0	0	0	111	A25 T26 A27	V23-A25 VanDerWaalsContact C-N 3.35Å; V23-T26 PolarHBondContact O-OG1 3.03Å; V23-A27 VanDerWaalsContact O-CB 3.23Å; V23-A27 WeakPolarHBondContact O-CB 3.04Å; V23-A27 PolarHBondContact O-N 3.32Å
24	A	50.2	Low	43.7	Very low	62 Å²	62	111 Å²	111	51%	0.512	64%	0.644	S	S	.	*	H	α-helix	trans	-63.9	-39.2	173.9	0	0	0	0	0	112.2	W20 A28	W20-A24 PolarHBondContact O-N 2.03Å; A24-A28 VanDerWaalsContact O-CB 3.27Å; A24-A28 WeakPolarHBondContact O-CB 3.35Å; A24-A28 PolarHBondContact O-N 2.77Å
25	A	48.9	Very low	44	Very low	61 Å²	61	109.2 Å²	109.2	50%	0.504	63%	0.633	S	S	.	*	H	α-helix	trans	-66.7	-44.1	178.4	0	0	0	0	0	112.5	S21 L22 V23 A28 L29	S21-A25 PolarHBondContact O-N 3.34Å; L22-A25 PolarHBondContact O-N 3.41Å; V23-A25 VanDerWaalsContact C-N 3.35Å; A25-A28 PolarHBondContact O-N 3.3Å; A25-L29 PolarHBondContact O-N 3.41Å
26	T	51.4	Low	43.9	Very low	85 Å²	85	107.7 Å²	107.7	52%	0.521	63%	0.626	S	S	.	*	H	α-helix	trans	-69.2	-39.3	176.3	52.6	0	0	0	0	112.1	L22 V23 L29 C30	L22-T26 PolarHBondContact O-N 2.7Å; L22-T26 PolarHBondContact O-OG1 2.55Å; V23-T26 PolarHBondContact O-OG1 3.03Å; T26-L29 PolarHBondContact O-N 2.69Å; T26-C30 WeakPolarHBondContact O-CB 3.37Å; T26-C30 PolarHBondContact O-N 3.13Å; T26-C30 PolarHBondContact O-SG 3.44Å
27	A	51.4	Low	44	Very low	47 Å²	47	104 Å²	104	39%	0.388	62%	0.616	S	S	.	*	H	α-helix	trans	-63.4	-41.2	174.7	0	0	0	0	0	112.3	V23 C30 L31	V23-A27 VanDerWaalsContact O-CB 3.23Å; V23-A27 WeakPolarHBondContact O-CB 3.04Å; V23-A27 PolarHBondContact O-N 3.32Å; A27-C30 PolarHBondContact O-N 2.88Å; A27-L31 WeakPolarHBondContact O-CD1 3.36Å; A27-L31 PolarHBondContact O-N 2.81Å
28	A	51.9	Low	43.9	Very low	55 Å²	55	97.5 Å²	97.5	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-64.6	-43.8	176	0	0	0	0	0	112.1	A24 A25 L31 V32	A24-A28 VanDerWaalsContact O-CB 3.27Å; A24-A28 WeakPolarHBondContact O-CB 3.35Å; A24-A28 PolarHBondContact O-N 2.77Å; A25-A28 PolarHBondContact O-N 3.3Å; A28-L31 PolarHBondContact O-N 2.73Å; A28-V32 WeakPolarHBondContact O-CG2 3.37Å; A28-V32 PolarHBondContact O-N 2.9Å
29	L	48.5	Very low	43.9	Very low	114 Å²	114	99.1 Å²	99.1	60%	0.597	61%	0.608	S	S	*	*	H	α-helix	trans	-64.4	-41	177.2	-165.6	69.8	0	0	0	111.6	A25 T26 V32 L33	A25-L29 PolarHBondContact O-N 3.41Å; T26-L29 PolarHBondContact O-N 2.69Å; L29-V32 PolarHBondContact O-N 2.98Å; L29-L33 HydrophobicContact CG-CD1 4.32Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 2.96Å
30	C	46.9	Very low	43.6	Very low	82 Å²	82	98.2 Å²	98.2	55%	0.554	61%	0.607	S	S	*	*	H	α-helix	trans	-66.4	-35.2	173.8	-68.6	0	0	0	0	112.9	T26 A27 A34	T26-C30 WeakPolarHBondContact O-CB 3.37Å; T26-C30 PolarHBondContact O-N 3.13Å; T26-C30 PolarHBondContact O-SG 3.44Å; A27-C30 PolarHBondContact O-N 2.88Å; C30-A34 WeakPolarHBondContact O-CB 3.32Å; C30-A34 PolarHBondContact O-N 3.22Å
31	L	44.9	Very low	43.8	Very low	122 Å²	122	89.7 Å²	89.7	64%	0.639	59%	0.586	S	S	*	*	H	α-helix	trans	-65.7	-45.5	173.1	-105.6	81.3	0	0	0	111.6	A27 A28 L33 A34 T35	A27-L31 WeakPolarHBondContact O-CD1 3.36Å; A27-L31 PolarHBondContact O-N 2.81Å; A28-L31 PolarHBondContact O-N 2.73Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 3.33Å; L31-A34 PolarHBondContact O-N 3.5Å; L31-T35 PolarHBondContact O-N 2.91Å; L31-T35 PolarHBondContact O-OG1 3.45Å; L31-T35 VanDerWaalsContact O-OG1 3.06Å
32	V	45.8	Very low	44.2	Very low	96 Å²	96	87.3 Å²	87.3	58%	0.582	57%	0.573	S	S	*	*	H	α-helix	trans	-61.2	-42.2	179.1	171	0	0	0	0	111.1	A28 L29 T35 S36	A28-V32 WeakPolarHBondContact O-CG2 3.37Å; A28-V32 PolarHBondContact O-N 2.9Å; L29-V32 PolarHBondContact O-N 2.98Å; V32-T35 WeakPolarHBondContact CA-OG1 3.47Å; V32-T35 PolarHBondContact O-N 3.26Å; V32-T35 PolarHBondContact O-OG1 2.89Å; V32-S36 PolarHBondContact O-N 3.33Å
33	L	40.1	Very low	45.1	Very low	106 Å²	106	84.5 Å²	84.5	56%	0.555	57%	0.569	S	S	*	*	H	α-helix	trans	-68.9	-36.8	174.4	-69.3	168.5	0	0	0	112.5	L29 L31 S36	L29-L33 HydrophobicContact CG-CD1 4.32Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 2.96Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 3.33Å; L33-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-OG 2.89Å
34	A	35.9	Very low	46.4	Very low	62 Å²	62	84.5 Å²	84.5	51%	0.512	57%	0.572	S	S	.	*	H	α-helix	trans	-69.2	-33.3	175.7	0	0	0	0	0	112.6	C30 L31 S36 V37	C30-A34 WeakPolarHBondContact O-CB 3.32Å; C30-A34 PolarHBondContact O-N 3.22Å; L31-A34 PolarHBondContact O-N 3.5Å; A34-S36 PolarHBondContact O-N 3.27Å; A34-V37 PolarHBondContact O-N 2.58Å
35	T	37.8	Very low	48.2	Very low	99 Å²	99	82.5 Å²	82.5	61%	0.607	55%	0.552	S	S	*	*	H	α-helix	trans	-68.9	-18.8	175.3	45.2	0	0	0	0	113.8	L31 V32 V37	L31-T35 PolarHBondContact O-N 2.91Å; L31-T35 PolarHBondContact O-OG1 3.45Å; L31-T35 VanDerWaalsContact O-OG1 3.06Å; V32-T35 WeakPolarHBondContact CA-OG1 3.47Å; V32-T35 PolarHBondContact O-N 3.26Å; V32-T35 PolarHBondContact O-OG1 2.89Å; T35-V37 VanDerWaalsContact C-N 3.27Å; T35-V37 PolarHBondContact O-N 2.97Å
36	S	34.9	Very low	50.2	Low	88 Å²	88	82 Å²	82	62%	0.615	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	1.4	177	73.8	0	0	0	0	114.4	V32 L33 A34	V32-S36 PolarHBondContact O-N 3.33Å; L33-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-OG 2.89Å; A34-S36 PolarHBondContact O-N 3.27Å
37	V	39.5	Very low	52	Low	115 Å²	115	83 Å²	83	70%	0.697	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-13	-175.5	-178.1	0	0	0	0	112.9	A34 T35	A34-V37 PolarHBondContact O-N 2.58Å; T35-V37 VanDerWaalsContact C-N 3.27Å; T35-V37 PolarHBondContact O-N 2.97Å
38	C	34.9	Very low	54	Low	108 Å²	108	87.1 Å²	87.1	73%	0.73	55%	0.55	S	S	*	*	S	Bend	trans	-123.7	36.4	-167.2	-68.4	0	0	0	0	115.8
39	T	36.1	Very low	56	Low	121 Å²	121	87.6 Å²	87.6	74%	0.742	54%	0.543	S	S	*	.			trans	-139.3	83.1	161.6	50.8	0	0	0	0	110.6	G41	T39-G41 PolarHBondContact O-N 3.44Å
40	A	35.8	Very low	58.2	Low	80 Å²	80	83.2 Å²	83.2	66%	0.661	52%	0.519	S	S	*	.			trans	-80.9	48.1	175.8	0	0	0	0	0	112.6	Q544	A40-Q544 PolarHBondContact O-NE2 2.91Å
41	G	44.3	Very low	60.4	Low	40 Å²	40	82.7 Å²	82.7	41%	0.412	51%	0.509	S	S	.	.	S	Bend	trans	-78.4	149.5	158.3	0	0	0	0	0	109	T39 A43	T39-G41 PolarHBondContact O-N 3.44Å; G41-A43 PolarHBondContact O-N 2.92Å
42	A	54.3	Low	62.9	Low	43 Å²	43	83.5 Å²	83.5	36%	0.355	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-63	126.6	170.5	0	0	0	0	0	108.5
43	A	63.6	Low	65.3	Low	80 Å²	80	79.2 Å²	79.2	66%	0.661	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-62.7	140.6	172.1	0	0	0	0	0	108.7	G41 M45	G41-A43 PolarHBondContact O-N 2.92Å; A43-M45 PolarHBondContact O-N 3.2Å; A43-M45 VanDerWaalsContact O-N 3.08Å
44	P	76.3	Confident	68	Low	109 Å²	109	74.5 Å²	74.5	71%	0.708	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-61.9	117.6	177.7	25.2	-33.1	0	0	0	109.5	S46	P44-S46 PolarHBondContact O-N 2.9Å
45	M	88.8	Confident	70.9	Confident	19 Å²	19	76.5 Å²	76.5	9%	0.094	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-52.9	133	176.7	-177.4	-179.6	-74.5	0	0	110.1	A43 E49 K50 L53 L424 E425 K428 F475	A43-M45 PolarHBondContact O-N 3.2Å; A43-M45 VanDerWaalsContact O-N 3.08Å; M45-E49 HydrophobicContact CE-CG 4.44Å; M45-E49 HydrophobicContact CG-CB 3.75Å; M45-E49 HydrophobicContact CG-CG 3.76Å; M45-E49 HydrophobicContact SD-CG 4.13Å; M45-K50 HydrophobicContact CG-CG 4.19Å; M45-K50 HydrophobicContact SD-CG 3.91Å; M45-L53 HydrophobicContact CE-CD1 3.58Å; M45-L53 HydrophobicContact SD-CD1 3.65Å; M45-L424 HydrophobicContact CB-CD1 3.91Å; M45-L424 HydrophobicContact CE-CB 3.69Å; M45-L424 HydrophobicContact SD-CB 3.91Å; M45-L424 HydrophobicContact SD-CD1 4.27Å; M45-E425 WeakPolarHBondContact CE-OE1 3.44Å; M45-K428 HydrophobicContact CE-CD 3.88Å; M45-F475 HydrophobicContact CE-CE1 4.19Å; M45-F475 HydrophobicContact SD-CD1 4.14Å; M45-F475 HydrophobicContact SD-CE1 3.94Å
46	S	90.9	Very high	73.8	Confident	52 Å²	52	74.4 Å²	74.4	36%	0.364	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-71.8	160	-177	95.7	0	0	0	0	111.4	P44 E48 E49 K50	P44-S46 PolarHBondContact O-N 2.9Å; S46-E48 WeakPolarHBondContact CB-OE2 3.36Å; S46-E48 PolarHBondContact O-N 3.04Å; S46-E48 PolarHBondContact OG-N 3.25Å; S46-E48 PolarHBondContact OG-OE2 3.45Å; S46-E49 PolarHBondContact O-N 2.93Å; S46-E49 VanDerWaalsContact O-N 3.13Å; S46-E49 PolarHBondContact OG-N 3.32Å; S46-K50 PolarHBondContact O-N 3.35Å
47	R	89.9	Confident	76.8	Confident	104 Å²	104	70.2 Å²	70.2	39%	0.392	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-38.2	177.7	-169.2	174.4	-165.9	171.6	6.9	111.3	K50 Q51 D477 E479	R47-K50 WeakPolarHBondContact O-CB 3.18Å; R47-K50 PolarHBondContact O-N 3.32Å; R47-Q51 HydrophobicContact CG-CG 4.47Å; R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 WeakPolarHBondContact O-CG 3.31Å; R47-Q51 PolarHBondContact O-N 3.44Å; R47-D477 WeakPolarHBondContact CG-OD2 3.41Å; R47-D477 IonicContact CZ-OD2 3.42Å; R47-D477 VanDerWaalsContact CZ-OD2 3.25Å; R47-D477 IonicContact NE-OD2 2.73Å; R47-D477 PolarHBondContact NE-OD2 2.85Å; R47-D477 IonicContact NH2-OD2 3.59Å; R47-D477 PolarHBondContact NH2-OD2 3.49Å; R47-D477 VanDerWaalsContact NH2-OD2 3.11Å; R47-E479 IonicContact CZ-OE2 2.69Å; R47-E479 IonicContact NH1-OE2 3.38Å; R47-E479 PolarHBondContact NH1-OE2 3.33Å; R47-E479 IonicContact NH2-OE2 3.42Å; R47-E479 PolarHBondContact NH2-OE2 3.01Å
48	E	92.4	Very high	79.6	Confident	134 Å²	134	66.3 Å²	66.3	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-67.5	-35	178.1	-52.4	77.4	-171.7	0	0	112	S46 K52	S46-E48 WeakPolarHBondContact CB-OE2 3.36Å; S46-E48 PolarHBondContact O-N 3.04Å; S46-E48 PolarHBondContact OG-N 3.25Å; S46-E48 PolarHBondContact OG-OE2 3.45Å; E48-K52 VanDerWaalsContact O-CB 3.28Å; E48-K52 WeakPolarHBondContact O-CB 3.31Å; E48-K52 PolarHBondContact O-N 2.77Å
49	E	94.3	Very high	82.6	Confident	65 Å²	65	65.3 Å²	65.3	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-74	-42	175	-173.7	169.9	-166.4	0	0	111.9	M45 S46 K52 L53 K428	M45-E49 HydrophobicContact CE-CG 4.44Å; M45-E49 HydrophobicContact CG-CB 3.75Å; M45-E49 HydrophobicContact CG-CG 3.76Å; M45-E49 HydrophobicContact SD-CG 4.13Å; S46-E49 PolarHBondContact O-N 2.93Å; S46-E49 VanDerWaalsContact O-N 3.13Å; S46-E49 PolarHBondContact OG-N 3.32Å; E49-K52 WeakPolarHBondContact O-CB 3.46Å; E49-K52 PolarHBondContact O-N 3.1Å; E49-L53 HydrophobicContact CG-CD1 4.45Å; E49-L53 WeakPolarHBondContact O-CG 3.05Å; E49-L53 PolarHBondContact O-N 3.39Å; E49-K428 WeakPolarHBondContact OE1-CE 3.49Å; E49-K428 IonicContact OE1-NZ 3.6Å; E49-K428 PolarHBondContact OE1-NZ 3.39Å
50	K	94.3	Very high	85.6	Confident	22 Å²	22	59.6 Å²	59.6	10%	0.096	34%	0.338	C	S	.	.	H	α-helix	trans	-54	-54.6	168.9	-82.8	-174.6	164.5	-152.4	0	111.7	M45 S46 R47 K52 L53 G54 Y415 D477	M45-K50 HydrophobicContact CG-CG 4.19Å; M45-K50 HydrophobicContact SD-CG 3.91Å; S46-K50 PolarHBondContact O-N 3.35Å; R47-K50 WeakPolarHBondContact O-CB 3.18Å; R47-K50 PolarHBondContact O-N 3.32Å; K50-K52 VanDerWaalsContact C-N 3.27Å; K50-K52 PolarHBondContact O-N 2.98Å; K50-L53 PolarHBondContact O-N 3.44Å; K50-G54 PolarHBondContact O-N 3.46Å; K50-Y415 PolarHBondContact NZ-OH 3.31Å; K50-D477 IonicContact NZ-OD1 2.69Å; K50-D477 PolarHBondContact NZ-OD1 3.38Å
51	Q	94.2	Very high	88.6	Confident	71 Å²	71	55.8 Å²	55.8	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-35.5	-179.7	-75.2	-178.4	-27.5	0	0	111.6	R47 N55	R47-Q51 HydrophobicContact CG-CG 4.47Å; R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 WeakPolarHBondContact O-CG 3.31Å; R47-Q51 PolarHBondContact O-N 3.44Å; Q51-N55 WeakPolarHBondContact O-CB 3.45Å; Q51-N55 PolarHBondContact O-N 3.2Å; Q51-N55 PolarHBondContact O-ND2 2.68Å
52	K	96.6	Very high	91.2	Very high	139 Å²	139	57.4 Å²	57.4	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-61.1	-44.4	171.4	-178.2	-166	167.9	-155.5	0	111.8	E48 E49 K50 N55 Q56	E48-K52 VanDerWaalsContact O-CB 3.28Å; E48-K52 WeakPolarHBondContact O-CB 3.31Å; E48-K52 PolarHBondContact O-N 2.77Å; E49-K52 WeakPolarHBondContact O-CB 3.46Å; E49-K52 PolarHBondContact O-N 3.1Å; K50-K52 VanDerWaalsContact C-N 3.27Å; K50-K52 PolarHBondContact O-N 2.98Å; K52-N55 PolarHBondContact O-N 2.88Å; K52-Q56 PolarHBondContact O-N 2.65Å
53	L	97.4	Very high	93.3	Very high	7 Å²	7	57 Å²	57	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-69.6	-41.4	178.5	-69	169.4	0	0	0	112.1	M45 E49 K50 N55 Q56 V57 K428 I431 F475	M45-L53 HydrophobicContact CE-CD1 3.58Å; M45-L53 HydrophobicContact SD-CD1 3.65Å; E49-L53 HydrophobicContact CG-CD1 4.45Å; E49-L53 WeakPolarHBondContact O-CG 3.05Å; E49-L53 PolarHBondContact O-N 3.39Å; K50-L53 PolarHBondContact O-N 3.44Å; L53-N55 PolarHBondContact O-N 2.93Å; L53-Q56 CarbonylContact O-C 3.52Å; L53-Q56 WeakPolarHBondContact O-CA 3.34Å; L53-Q56 WeakPolarHBondContact O-CB 3.29Å; L53-Q56 PolarHBondContact O-N 2.95Å; L53-V57 WeakPolarHBondContact O-CG2 3.44Å; L53-V57 PolarHBondContact O-N 2.88Å; L53-K428 HydrophobicContact CD1-CB 3.99Å; L53-K428 HydrophobicContact CD1-CD 4.07Å; L53-K428 HydrophobicContact CD1-CG 4.13Å; L53-K428 HydrophobicContact CD2-CB 4.46Å; L53-K428 HydrophobicContact CD2-CG 4.17Å; L53-I431 HydrophobicContact CB-CD1 4.32Å; L53-I431 HydrophobicContact CD2-CD1 4.29Å; L53-F475 HydrophobicContact CB-CB 4.48Å; L53-F475 HydrophobicContact CB-CD1 3.92Å; L53-F475 HydrophobicContact CB-CD2 4.04Å; L53-F475 HydrophobicContact CB-CE1 4.19Å; L53-F475 HydrophobicContact CB-CE2 4.34Å; L53-F475 HydrophobicContact CB-CG 3.86Å; L53-F475 HydrophobicContact CB-CZ 4.42Å; L53-F475 HydrophobicContact CD1-CD1 3.91Å; L53-F475 HydrophobicContact CD1-CE1 3.5Å; L53-F475 VanDerWaalsContact CD1-CE1 3.5Å; L53-F475 HydrophobicContact CD1-CZ 3.93Å; L53-F475 HydrophobicContact CG-CE1 4.49Å
54	G	96.4	Very high	95	Very high	6 Å²	6	53.2 Å²	53.2	6%	0.062	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-43.6	172.4	0	0	0	0	0	112.5	K50 Q56 V57 L58	K50-G54 PolarHBondContact O-N 3.46Å; G54-Q56 VanDerWaalsContact C-N 3.3Å; G54-Q56 PolarHBondContact O-N 3.06Å; G54-V57 PolarHBondContact O-N 3.32Å; G54-L58 WeakPolarHBondContact O-CG 3.34Å; G54-L58 PolarHBondContact O-N 3.47Å
55	N	96.9	Very high	96	Very high	105 Å²	105	48.9 Å²	48.9	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-64.9	-31.6	172.5	-78.5	-69	0	0	0	112.9	Q51 K52 L53 L58 E59	Q51-N55 WeakPolarHBondContact O-CB 3.45Å; Q51-N55 PolarHBondContact O-N 3.2Å; Q51-N55 PolarHBondContact O-ND2 2.68Å; K52-N55 PolarHBondContact O-N 2.88Å; L53-N55 PolarHBondContact O-N 2.93Å; N55-L58 PolarHBondContact O-N 3.01Å; N55-E59 WeakPolarHBondContact O-CB 3.18Å; N55-E59 PolarHBondContact O-N 2.94Å
56	Q	98.1	Very high	96.5	Very high	55 Å²	55	49.6 Å²	49.6	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-70.2	-37.2	172.8	-173.3	171.9	-12.2	0	0	111.8	K52 L53 G54 E59 M60 I431 N435	K52-Q56 PolarHBondContact O-N 2.65Å; L53-Q56 CarbonylContact O-C 3.52Å; L53-Q56 WeakPolarHBondContact O-CA 3.34Å; L53-Q56 WeakPolarHBondContact O-CB 3.29Å; L53-Q56 PolarHBondContact O-N 2.95Å; G54-Q56 VanDerWaalsContact C-N 3.3Å; G54-Q56 PolarHBondContact O-N 3.06Å; Q56-E59 PolarHBondContact O-N 3.48Å; Q56-M60 HydrophobicContact CG-SD 4.41Å; Q56-M60 WeakPolarHBondContact O-CG 3.28Å; Q56-M60 PolarHBondContact O-N 2.97Å; Q56-I431 HydrophobicContact CG-CG2 3.92Å; Q56-I431 VanDerWaalsContact NE2-CG2 3.35Å; Q56-N435 PolarHBondContact NE2-ND2 3.41Å; Q56-N435 VanDerWaalsContact NE2-ND2 3.14Å
57	V	98.3	Very high	96.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-42.9	171.8	174.9	0	0	0	0	111	L53 G54 E59 M60 F61 I431 F468 L471	L53-V57 WeakPolarHBondContact O-CG2 3.44Å; L53-V57 PolarHBondContact O-N 2.88Å; G54-V57 PolarHBondContact O-N 3.32Å; V57-E59 PolarHBondContact O-N 3.32Å; V57-M60 PolarHBondContact O-N 2.75Å; V57-F61 WeakPolarHBondContact O-CB 3.42Å; V57-F61 PolarHBondContact O-N 3.06Å; V57-I431 HydrophobicContact CG2-CD1 3.49Å; V57-I431 VanDerWaalsContact CG2-CD1 3.49Å; V57-I431 HydrophobicContact CG2-CG1 4.02Å; V57-F468 HydrophobicContact CG1-CB 4.35Å; V57-F468 HydrophobicContact CG1-CD1 4.07Å; V57-L471 HydrophobicContact CG1-CB 4.19Å; V57-L471 HydrophobicContact CG2-CB 3.93Å
58	L	98.1	Very high	97.2	Very high	33 Å²	33	43.3 Å²	43.3	17%	0.173	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-43	174.2	-68.7	173.4	0	0	0	112.1	G54 N55 F61 D62 L118 Y472	G54-L58 WeakPolarHBondContact O-CG 3.34Å; G54-L58 PolarHBondContact O-N 3.47Å; N55-L58 PolarHBondContact O-N 3.01Å; L58-F61 PolarHBondContact O-N 3.34Å; L58-D62 WeakPolarHBondContact O-CB 3.34Å; L58-D62 PolarHBondContact O-N 2.97Å; L58-L118 HydrophobicContact CD2-CB 3.71Å; L58-L118 HydrophobicContact CD2-CD1 4.3Å; L58-L118 HydrophobicContact CD2-CD2 3.95Å; L58-L118 HydrophobicContact CD2-CG 4.19Å; L58-Y472 HydrophobicContact CD1-CE2 3.98Å; L58-Y472 HydrophobicContact CD2-CD2 4.07Å; L58-Y472 HydrophobicContact CD2-CE2 3.87Å; L58-Y472 HydrophobicContact CG-CD2 4.1Å; L58-Y472 HydrophobicContact CG-CE2 3.86Å
59	E	98.3	Very high	97.5	Very high	87 Å²	87	38.9 Å²	38.9	41%	0.407	20%	0.197	S	C	.	.	H	α-helix	trans	-64.8	-40.1	176.9	-171.7	-83.5	155.3	0	0	112.6	N55 Q56 V57 D62 H63 R439	N55-E59 WeakPolarHBondContact O-CB 3.18Å; N55-E59 PolarHBondContact O-N 2.94Å; Q56-E59 PolarHBondContact O-N 3.48Å; V57-E59 PolarHBondContact O-N 3.32Å; E59-D62 PolarHBondContact O-N 3.43Å; E59-H63 WeakPolarHBondContact O-CB 3.44Å; E59-H63 PolarHBondContact O-N 2.76Å; E59-R439 IonicContact OE1-CZ 3.1Å; E59-R439 IonicContact OE1-NH1 3.93Å; E59-R439 PolarHBondContact OE1-NH1 3.01Å; E59-R439 IonicContact OE1-NH2 3.14Å; E59-R439 PolarHBondContact OE1-NH2 3.34Å; E59-R439 IonicContact OE2-CZ 2.68Å; E59-R439 IonicContact OE2-NH1 2.65Å; E59-R439 PolarHBondContact OE2-NH1 3.21Å; E59-R439 IonicContact OE2-NH2 3.75Å
60	M	98.7	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-39.8	174.4	-65.5	166.4	77.1	0	0	112.1	Q56 V57 H63 A64 I431 L434 N435 F444 F468	Q56-M60 HydrophobicContact CG-SD 4.41Å; Q56-M60 WeakPolarHBondContact O-CG 3.28Å; Q56-M60 PolarHBondContact O-N 2.97Å; V57-M60 PolarHBondContact O-N 2.75Å; M60-H63 PolarHBondContact O-N 2.94Å; M60-A64 WeakPolarHBondContact O-CB 3.26Å; M60-A64 PolarHBondContact O-N 3.33Å; M60-I431 HydrophobicContact SD-CG2 3.96Å; M60-L434 HydrophobicContact CE-CB 3.54Å; M60-L434 HydrophobicContact CE-CD1 4.02Å; M60-L434 HydrophobicContact CE-CG 4.44Å; M60-N435 WeakPolarHBondContact CE-ND2 3.27Å; M60-N435 PolarHBondContact SD-ND2 3.07Å; M60-F444 HydrophobicContact CB-CE2 4.17Å; M60-F444 HydrophobicContact CB-CZ 3.86Å; M60-F444 HydrophobicContact CE-CE1 3.74Å; M60-F444 HydrophobicContact CE-CZ 3.71Å; M60-F444 HydrophobicContact CG-CZ 3.95Å; M60-F468 HydrophobicContact CB-CD1 4.31Å; M60-F468 HydrophobicContact CB-CE1 3.4Å; M60-F468 VanDerWaalsContact CB-CE1 3.4Å; M60-F468 HydrophobicContact CB-CZ 3.78Å; M60-F468 HydrophobicContact CE-CE1 3.98Å; M60-F468 HydrophobicContact CG-CE1 4.45Å; M60-F468 HydrophobicContact SD-CE1 4.35Å
61	F	98.7	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-46.5	174.3	179.5	-85.2	0	0	0	111	V57 L58 H63 A64 Y65 T114 L115 L118 K120 L464 F468	V57-F61 WeakPolarHBondContact O-CB 3.42Å; V57-F61 PolarHBondContact O-N 3.06Å; L58-F61 PolarHBondContact O-N 3.34Å; F61-H63 VanDerWaalsContact C-N 3.29Å; F61-H63 PolarHBondContact O-N 2.96Å; F61-A64 PolarHBondContact O-N 3.28Å; F61-A64 VanDerWaalsContact O-N 3.1Å; F61-Y65 AromaticContact CE1-CD1 3.98Å; F61-Y65 HydrophobicContact CE1-CD1 3.98Å; F61-Y65 HydrophobicContact CE1-CD2 4.47Å; F61-Y65 AromaticContact CE1-CG 3.76Å; F61-Y65 HydrophobicContact CE1-CG 3.76Å; F61-Y65 HydrophobicContact CZ-CD1 4.38Å; F61-Y65 HydrophobicContact CZ-CD2 4.08Å; F61-Y65 AromaticContact CZ-CG 3.82Å; F61-Y65 HydrophobicContact CZ-CG 3.82Å; F61-Y65 VanDerWaalsContact O-CB 3.3Å; F61-Y65 WeakPolarHBondContact O-CB 3.43Å; F61-Y65 PolarHBondContact O-N 2.59Å; F61-T114 HydrophobicContact CD2-CG2 4.05Å; F61-T114 HydrophobicContact CE2-CG2 3.56Å; F61-T114 HydrophobicContact CZ-CG2 4.25Å; F61-L115 HydrophobicContact CE1-CD2 3.63Å; F61-L115 HydrophobicContact CZ-CD2 3.71Å; F61-L115 HydrophobicContact CZ-CG 4.31Å; F61-L118 HydrophobicContact CB-CD1 3.75Å; F61-L118 HydrophobicContact CD1-CD1 3.62Å; F61-L118 HydrophobicContact CD2-CD1 3.42Å; F61-L118 VanDerWaalsContact CD2-CD1 3.42Å; F61-L118 HydrophobicContact CE1-CD1 4.06Å; F61-L118 HydrophobicContact CE2-CD1 3.87Å; F61-L118 HydrophobicContact CG-CD1 3.28Å; F61-L118 HydrophobicContact CZ-CD1 4.17Å; F61-K120 HydrophobicContact CD1-CD 4.12Å; F61-K120 HydrophobicContact CE1-CD 4.03Å; F61-L464 HydrophobicContact CE2-CB 4.25Å; F61-F468 HydrophobicContact CB-CB 4.32Å; F61-F468 HydrophobicContact CB-CD2 4.09Å; F61-F468 HydrophobicContact CB-CG 4.07Å; F61-F468 HydrophobicContact CD2-CB 3.88Å; F61-F468 AromaticContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CG 4.07Å; F61-F468 HydrophobicContact CG-CD2 4.38Å
62	D	98.5	Very high	98	Very high	75 Å²	75	41.6 Å²	41.6	40%	0.401	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-37.9	177	-79.1	-38.7	0	0	0	111.9	L58 E59 G66 K120	L58-D62 WeakPolarHBondContact O-CB 3.34Å; L58-D62 PolarHBondContact O-N 2.97Å; E59-D62 PolarHBondContact O-N 3.43Å; D62-G66 VanDerWaalsContact O-CA 3.29Å; D62-G66 WeakPolarHBondContact O-CA 3.37Å; D62-G66 PolarHBondContact O-N 3.45Å; D62-K120 WeakPolarHBondContact OD1-CE 3.23Å; D62-K120 IonicContact OD1-NZ 2.89Å; D62-K120 PolarHBondContact OD1-NZ 3.34Å; D62-K120 IonicContact OD2-NZ 3.93Å; D62-K120 PolarHBondContact OD2-NZ 2.94Å
63	H	98.6	Very high	98.1	Very high	35 Å²	35	37.2 Å²	37.2	16%	0.162	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-42.8	171.6	178.8	90.6	0	0	0	112.3	E59 M60 F61 N67 R439 V440 P441 G443 F444	E59-H63 WeakPolarHBondContact O-CB 3.44Å; E59-H63 PolarHBondContact O-N 2.76Å; M60-H63 PolarHBondContact O-N 2.94Å; F61-H63 VanDerWaalsContact C-N 3.29Å; F61-H63 PolarHBondContact O-N 2.96Å; H63-N67 WeakPolarHBondContact O-CB 3.5Å; H63-N67 PolarHBondContact O-N 3.26Å; H63-N67 PolarHBondContact O-ND2 2.95Å; H63-R439 PolarHBondContact ND1-NH2 3.4Å; H63-V440 PolarHBondContact CE1-O 3.35Å; H63-V440 VanDerWaalsContact CE1-O 3.32Å; H63-V440 PolarHBondContact NE2-O 3.04Å; H63-P441 PolarHBondContact CE1-O 2.77Å; H63-G443 PolarHBondContact NE2-N 3.15Å; H63-G443 PolarHBondContact NE2-O 2.96Å; H63-F444 AromaticContact CD2-CE2 3.68Å
64	A	98.6	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-79.4	-51.9	-176.2	0	0	0	0	0	113.1	M60 F61 Y68 F444 M459 L464 F468	M60-A64 WeakPolarHBondContact O-CB 3.26Å; M60-A64 PolarHBondContact O-N 3.33Å; F61-A64 PolarHBondContact O-N 3.28Å; F61-A64 VanDerWaalsContact O-N 3.1Å; A64-Y68 PolarHBondContact O-N 3.1Å; A64-F444 HydrophobicContact CB-CD2 3.91Å; A64-F444 HydrophobicContact CB-CE2 4.2Å; A64-M459 HydrophobicContact CB-CE 4.22Å; A64-M459 HydrophobicContact CB-SD 4.12Å; A64-L464 HydrophobicContact CB-CD2 3.6Å; A64-F468 HydrophobicContact CB-CE2 3.82Å; A64-F468 HydrophobicContact CB-CZ 4.32Å
65	Y	98.6	Very high	98	Very high	18 Å²	18	41 Å²	41	7%	0.071	22%	0.216	C	C	.	.	H	α-helix	trans	-67.6	-39	178.5	-177.8	-104.5	0	0	0	111.9	F61 Y68 M69 S111 L115 L464	F61-Y65 AromaticContact CE1-CD1 3.98Å; F61-Y65 HydrophobicContact CE1-CD1 3.98Å; F61-Y65 HydrophobicContact CE1-CD2 4.47Å; F61-Y65 AromaticContact CE1-CG 3.76Å; F61-Y65 HydrophobicContact CE1-CG 3.76Å; F61-Y65 HydrophobicContact CZ-CD1 4.38Å; F61-Y65 HydrophobicContact CZ-CD2 4.08Å; F61-Y65 AromaticContact CZ-CG 3.82Å; F61-Y65 HydrophobicContact CZ-CG 3.82Å; F61-Y65 VanDerWaalsContact O-CB 3.3Å; F61-Y65 WeakPolarHBondContact O-CB 3.43Å; F61-Y65 PolarHBondContact O-N 2.59Å; Y65-Y68 PolarHBondContact O-N 3.47Å; Y65-M69 HydrophobicContact CD1-CG 4.14Å; Y65-M69 HydrophobicContact CD2-CG 4.47Å; Y65-M69 HydrophobicContact CE1-CG 3.73Å; Y65-M69 HydrophobicContact CE2-CG 4.08Å; Y65-M69 HydrophobicContact CE2-SD 4.14Å; Y65-M69 HydrophobicContact CG-CG 4.49Å; Y65-M69 WeakPolarHBondContact O-CG 3.48Å; Y65-M69 PolarHBondContact O-N 2.96Å; Y65-S111 WeakPolarHBondContact CE2-OG 3.43Å; Y65-L115 HydrophobicContact CD1-CD2 4.26Å; Y65-L115 HydrophobicContact CE1-CD1 4.49Å; Y65-L115 HydrophobicContact CE1-CD2 3.94Å; Y65-L115 HydrophobicContact CE2-CD1 4.47Å; Y65-L464 HydrophobicContact CD2-CD1 3.93Å; Y65-L464 HydrophobicContact CG-CD1 4.49Å
66	G	98.3	Very high	98	Very high	33 Å²	33	36.1 Å²	36.1	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-59.6	-47.6	175.3	0	0	0	0	0	112.1	D62 Y68 M69 E70	D62-G66 VanDerWaalsContact O-CA 3.29Å; D62-G66 WeakPolarHBondContact O-CA 3.37Å; D62-G66 PolarHBondContact O-N 3.45Å; G66-Y68 PolarHBondContact O-N 3.06Å; G66-M69 PolarHBondContact O-N 3.09Å; G66-E70 PolarHBondContact O-N 2.82Å
67	N	98.5	Very high	98	Very high	24 Å²	24	33.6 Å²	33.6	13%	0.128	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-35.5	175.2	-83.8	-72.8	0	0	0	113	H63 E70 H71 L78 C442	H63-N67 WeakPolarHBondContact O-CB 3.5Å; H63-N67 PolarHBondContact O-N 3.26Å; H63-N67 PolarHBondContact O-ND2 2.95Å; N67-E70 PolarHBondContact O-N 2.69Å; N67-H71 WeakPolarHBondContact O-CB 3.39Å; N67-H71 PolarHBondContact O-N 3.16Å; N67-H71 PolarHBondContact OD1-CD2 3.24Å; N67-H71 PolarHBondContact OD1-NE2 2.97Å; N67-L78 HydrophobicContact CB-CD2 4.08Å; N67-C442 WeakPolarHBondContact OD1-CA 3.46Å
68	Y	98.6	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-59.8	-47.2	170.6	169.2	-99.5	0	0	0	111.1	A64 Y65 G66 E70 A72 Y73 A75 L78 T107 L108	A64-Y68 PolarHBondContact O-N 3.1Å; Y65-Y68 PolarHBondContact O-N 3.47Å; G66-Y68 PolarHBondContact O-N 3.06Å; Y68-E70 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 2.93Å; Y68-A72 HydrophobicContact CD2-CB 3.55Å; Y68-A72 HydrophobicContact CE2-CB 3.85Å; Y68-A72 HydrophobicContact CG-CB 4.42Å; Y68-A72 WeakPolarHBondContact O-CA 3.19Å; Y68-A72 WeakPolarHBondContact O-CB 3.37Å; Y68-A72 PolarHBondContact O-N 3.35Å; Y68-Y73 PolarHBondContact O-N 3.27Å; Y68-A75 WeakPolarHBondContact CE2-O 3.36Å; Y68-A75 PolarHBondContact OH-O 3.31Å; Y68-L78 HydrophobicContact CD2-CB 4.26Å; Y68-T107 HydrophobicContact CD1-CG2 3.91Å; Y68-T107 HydrophobicContact CD2-CG2 3.78Å; Y68-T107 HydrophobicContact CE1-CG2 4.09Å; Y68-T107 HydrophobicContact CE2-CG2 3.99Å; Y68-T107 HydrophobicContact CG-CG2 3.77Å; Y68-L108 HydrophobicContact CE1-CB 4.03Å
69	M	98.3	Very high	97.9	Very high	42 Å²	42	32.7 Å²	32.7	21%	0.207	17%	0.173	C	C	.	.	I	π-helix	trans	-69.9	-25.2	-179.4	-68.7	-53.9	-47.2	0	0	114.2	Y65 G66 Y73 L108 K130	Y65-M69 HydrophobicContact CD1-CG 4.14Å; Y65-M69 HydrophobicContact CD2-CG 4.47Å; Y65-M69 HydrophobicContact CE1-CG 3.73Å; Y65-M69 HydrophobicContact CE2-CG 4.08Å; Y65-M69 HydrophobicContact CE2-SD 4.14Å; Y65-M69 HydrophobicContact CG-CG 4.49Å; Y65-M69 WeakPolarHBondContact O-CG 3.48Å; Y65-M69 PolarHBondContact O-N 2.96Å; G66-M69 PolarHBondContact O-N 3.09Å; M69-Y73 HydrophobicContact CE-CD1 3.78Å; M69-Y73 HydrophobicContact CE-CD2 3.82Å; M69-Y73 HydrophobicContact CE-CE1 4.2Å; M69-Y73 HydrophobicContact CE-CE2 4.27Å; M69-Y73 HydrophobicContact CE-CG 3.55Å; M69-Y73 HydrophobicContact SD-CD2 4.36Å; M69-Y73 HydrophobicContact SD-CG 4.3Å; M69-L108 HydrophobicContact SD-CD1 4.03Å; M69-K130 HydrophobicContact CE-CD 3.57Å
70	E	98.1	Very high	97.9	Very high	150 Å²	150	28.5 Å²	28.5	70%	0.701	15%	0.154	S	C	*	.	I	π-helix	trans	-89.1	-36.2	177.3	-166.4	178.7	147.3	0	0	113.4	G66 N67 Y68	G66-E70 PolarHBondContact O-N 2.82Å; N67-E70 PolarHBondContact O-N 2.69Å; Y68-E70 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 2.93Å
71	H	97.8	Very high	97.9	Very high	58 Å²	58	32.1 Å²	32.1	27%	0.269	17%	0.173	S	C	.	.	I	π-helix	trans	-117.4	-21.4	-167.1	-61.3	-23.3	0	0	0	115.2	N67 L78 R84 G85	N67-H71 WeakPolarHBondContact O-CB 3.39Å; N67-H71 PolarHBondContact O-N 3.16Å; N67-H71 PolarHBondContact OD1-CD2 3.24Å; N67-H71 PolarHBondContact OD1-NE2 2.97Å; H71-L78 HydrophobicContact CB-CD1 4.19Å; H71-R84 CarbonylContact O-C 3.4Å; H71-R84 VanDerWaalsContact O-CA 3.32Å; H71-R84 WeakPolarHBondContact O-CA 3.5Å; H71-G85 PolarHBondContact O-N 2.93Å; H71-G85 VanDerWaalsContact O-N 3.13Å
72	A	97.5	Very high	97.8	Very high	7 Å²	7	35.7 Å²	35.7	6%	0.058	19%	0.194	C	C	.	.	I	π-helix	trans	-112.9	-46.2	-176.2	0	0	0	0	0	114	Y68 A75 L78	Y68-A72 HydrophobicContact CD2-CB 3.55Å; Y68-A72 HydrophobicContact CE2-CB 3.85Å; Y68-A72 HydrophobicContact CG-CB 4.42Å; Y68-A72 WeakPolarHBondContact O-CA 3.19Å; Y68-A72 WeakPolarHBondContact O-CB 3.37Å; Y68-A72 PolarHBondContact O-N 3.35Å; A72-A75 WeakPolarHBondContact O-CA 3.28Å; A72-A75 WeakPolarHBondContact O-CB 3.46Å; A72-A75 PolarHBondContact O-N 2.88Å; A72-L78 HydrophobicContact CB-CB 3.98Å; A72-L78 HydrophobicContact CB-CD1 3.74Å; A72-L78 HydrophobicContact CB-CG 4.46Å
73	Y	97.4	Very high	97.7	Very high	47 Å²	47	34.5 Å²	34.5	18%	0.184	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	128.9	-178.7	170.3	-99.2	0	0	0	112.1	Y68 M69 L108 K130 R133 D134	Y68-Y73 PolarHBondContact O-N 3.27Å; M69-Y73 HydrophobicContact CE-CD1 3.78Å; M69-Y73 HydrophobicContact CE-CD2 3.82Å; M69-Y73 HydrophobicContact CE-CE1 4.2Å; M69-Y73 HydrophobicContact CE-CE2 4.27Å; M69-Y73 HydrophobicContact CE-CG 3.55Å; M69-Y73 HydrophobicContact SD-CD2 4.36Å; M69-Y73 HydrophobicContact SD-CG 4.3Å; Y73-L108 HydrophobicContact CD2-CD2 4.02Å; Y73-L108 HydrophobicContact CE2-CD2 3.59Å; Y73-K130 HydrophobicContact CE1-CD 4.21Å; Y73-K130 HydrophobicContact CE2-CB 4.24Å; Y73-K130 HydrophobicContact CE2-CD 4.17Å; Y73-K130 WeakPolarHBondContact OH-CB 3.4Å; Y73-K130 WeakPolarHBondContact OH-CG 3.4Å; Y73-R133 PolarHBondContact OH-NH2 3.12Å; Y73-D134 PolarHBondContact OH-OD2 3.35Å
74	P	96	Very high	97.6	Very high	76 Å²	76	37.2 Å²	37.2	49%	0.494	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.2	18.3	12.6	38.5	-37.7	0	0	0	115.7	S105	P74-S105 WeakPolarHBondContact CB-OG 3.5Å; P74-S105 WeakPolarHBondContact O-CA 3.46Å; P74-S105 WeakPolarHBondContact O-CB 3.37Å; P74-S105 PolarHBondContact O-OG 3.42Å
75	A	96.4	Very high	97.5	Very high	15 Å²	15	37.8 Å²	37.8	12%	0.124	21%	0.207	C	C	.	.	S	Bend	trans	-62.4	161.7	174.6	0	0	0	0	0	112.6	Y68 A72 V87	Y68-A75 WeakPolarHBondContact CE2-O 3.36Å; Y68-A75 PolarHBondContact OH-O 3.31Å; A72-A75 WeakPolarHBondContact O-CA 3.28Å; A72-A75 WeakPolarHBondContact O-CB 3.46Å; A72-A75 PolarHBondContact O-N 2.88Å; A75-V87 HydrophobicContact CB-CG2 4.15Å
76	D	96.7	Very high	97.3	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	21%	0.206	C	C	.	.	S	Bend	trans	-72.2	-39.3	-175.1	-68.7	-38.7	0	0	0	112.5	L101 G102 K103 F104 S105 L106 T107	D76-L101 HydrophobicContact CB-CB 4.24Å; D76-L101 HydrophobicContact CB-CD2 3.7Å; D76-L101 HydrophobicContact CB-CG 4.47Å; D76-G102 PolarHBondContact OD2-N 2.68Å; D76-K103 PolarHBondContact OD1-N 2.87Å; D76-K103 VanDerWaalsContact OD2-CA 3.24Å; D76-K103 WeakPolarHBondContact OD2-CA 3.33Å; D76-K103 PolarHBondContact OD2-N 2.83Å; D76-F104 PolarHBondContact OD1-N 2.92Å; D76-S105 PolarHBondContact OD1-N 3.36Å; D76-L106 HydrophobicContact CB-CB 3.78Å; D76-L106 PolarHBondContact OD1-N 2.93Å; D76-L106 VanDerWaalsContact OD1-N 3.11Å; D76-T107 WeakPolarHBondContact O-CB 3.19Å; D76-T107 PolarHBondContact O-N 3.04Å; D76-T107 PolarHBondContact O-OG1 2.91Å
77	E	97.4	Very high	96.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	164.5	-179.1	-73.2	177.7	-180	0	0	112.3	G85 R86 R94 L101	E77-G85 WeakPolarHBondContact O-CA 3.47Å; E77-R86 HydrophobicContact CB-CB 4.14Å; E77-R86 PolarHBondContact O-N 2.78Å; E77-R86 WeakPolarHBondContact OE2-CD 3.45Å; E77-R94 VanDerWaalsContact CD-NH2 3.33Å; E77-R94 IonicContact OE1-CZ 3.11Å; E77-R94 IonicContact OE1-NH1 2.72Å; E77-R94 IonicContact OE1-NH2 3.25Å; E77-R94 PolarHBondContact OE1-NH2 2.77Å; E77-R94 VanDerWaalsContact OE1-NH2 3.11Å; E77-R94 IonicContact OE2-CZ 2.67Å; E77-R94 IonicContact OE2-NH1 3.87Å; E77-R94 PolarHBondContact OE2-NH1 2.92Å; E77-R94 IonicContact OE2-NH2 2.8Å; E77-R94 PolarHBondContact OE2-NH2 2.78Å; E77-L101 HydrophobicContact CG-CD2 3.81Å
78	L	98.2	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.5	173.4	178.3	62.3	0	0	0	111.2	N67 Y68 H71 A72 P80 C442 M459	N67-L78 HydrophobicContact CB-CD2 4.08Å; Y68-L78 HydrophobicContact CD2-CB 4.26Å; H71-L78 HydrophobicContact CB-CD1 4.19Å; A72-L78 HydrophobicContact CB-CB 3.98Å; A72-L78 HydrophobicContact CB-CD1 3.74Å; A72-L78 HydrophobicContact CB-CG 4.46Å; L78-P80 HydrophobicContact CD2-CB 4.45Å; L78-P80 HydrophobicContact CG-CB 4.32Å; L78-P80 WeakPolarHBondContact O-CD 3.37Å; L78-C442 VanDerWaalsContact CD2-O 3.24Å; L78-C442 WeakPolarHBondContact CD2-O 3.44Å; L78-M459 HydrophobicContact CB-CB 4.39Å; L78-M459 HydrophobicContact CB-CE 4.15Å; L78-M459 HydrophobicContact CD2-CE 3.65Å; L78-M459 HydrophobicContact CD2-SD 4.14Å; L78-M459 PolarHBondContact O-N 2.94Å
79	M	97.8	Very high	95.4	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.069	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	95.1	167	-61.6	-171.2	69	0	0	107.6	L81 C83 R84 R86 E91 D457	M79-L81 PolarHBondContact O-N 3.05Å; M79-C83 WeakPolarHBondContact O-CA 3.39Å; M79-C83 PolarHBondContact O-N 3.36Å; M79-R84 HydrophobicContact CB-CG 4.01Å; M79-R84 WeakPolarHBondContact CB-O 3.47Å; M79-R84 PolarHBondContact N-O 2.79Å; M79-R84 PolarHBondContact O-N 2.81Å; M79-R84 HydrophobicContact SD-CG 4.49Å; M79-R84 PolarHBondContact SD-NH2 3.43Å; M79-R84 VanDerWaalsContact SD-NH2 3.36Å; M79-R86 HydrophobicContact CG-CB 3.94Å; M79-R86 HydrophobicContact SD-CB 4.09Å; M79-R86 HydrophobicContact SD-CG 4.38Å; M79-E91 HydrophobicContact CE-CG 4.13Å; M79-E91 HydrophobicContact SD-CG 3.71Å; M79-D457 WeakPolarHBondContact CA-OD1 3.48Å; M79-D457 WeakPolarHBondContact CB-OD1 3.5Å; M79-D457 HydrophobicContact CE-CB 4Å; M79-D457 WeakPolarHBondContact CE-O 3.4Å
80	P	97.8	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.1	-163.1	37.4	-40.8	0	0	0	114.3	L78 V440 C442 F444 A445 D457 M459	L78-P80 HydrophobicContact CD2-CB 4.45Å; L78-P80 HydrophobicContact CG-CB 4.32Å; L78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-V440 HydrophobicContact CB-CG2 3.71Å; P80-V440 HydrophobicContact CG-CG2 4.18Å; P80-V440 WeakPolarHBondContact O-CG2 3.47Å; P80-C442 WeakPolarHBondContact CA-O 3.3Å; P80-C442 VanDerWaalsContact CB-O 3.26Å; P80-C442 WeakPolarHBondContact CB-O 3.5Å; P80-C442 WeakPolarHBondContact O-CB 3.45Å; P80-F444 WeakPolarHBondContact CG-O 3.22Å; P80-A445 HydrophobicContact CG-CB 3.87Å; P80-D457 WeakPolarHBondContact CD-OD1 3.48Å; P80-D457 VanDerWaalsContact N-OD1 3.12Å; P80-M459 HydrophobicContact CG-CB 4.19Å
81	L	97.5	Very high	94.5	Very high	76 Å²	76	42 Å²	42	40%	0.398	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-36.1	169.8	-51.4	178.5	0	0	0	111.3	M79 V440 A445 H455 D457	M79-L81 PolarHBondContact O-N 3.05Å; L81-V440 HydrophobicContact CD2-CB 4.2Å; L81-V440 HydrophobicContact CD2-CG1 3.75Å; L81-V440 HydrophobicContact CD2-CG2 4.24Å; L81-A445 HydrophobicContact CD2-CB 3.73Å; L81-A445 HydrophobicContact CG-CB 4.17Å; L81-H455 HydrophobicContact CD1-CB 3.77Å; L81-H455 HydrophobicContact CD2-CB 4.12Å; L81-D457 WeakPolarHBondContact CA-OD1 3.41Å; L81-D457 HydrophobicContact CB-CB 4.19Å; L81-D457 VanDerWaalsContact CB-OD1 3.28Å; L81-D457 WeakPolarHBondContact CB-OD1 3.37Å; L81-D457 HydrophobicContact CD1-CB 3.93Å; L81-D457 HydrophobicContact CG-CB 4.18Å; L81-D457 PolarHBondContact N-OD1 3.17Å
82	T	96.9	Very high	94	Very high	74 Å²	74	44.6 Å²	44.6	45%	0.454	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.3	176.7	54.8	0	0	0	0	114.7	R84 D457	T82-R84 PolarHBondContact O-N 3.06Å; T82-R84 VanDerWaalsContact OG1-CD 3.31Å; T82-R84 WeakPolarHBondContact OG1-CD 3.46Å; T82-R84 WeakPolarHBondContact OG1-CG 3.44Å; T82-R84 PolarHBondContact OG1-NE 3.48Å; T82-D457 VanDerWaalsContact CB-OD2 3.31Å; T82-D457 WeakPolarHBondContact CB-OD2 3.05Å; T82-D457 WeakPolarHBondContact CG2-OD2 3.47Å; T82-D457 PolarHBondContact N-OD1 2.91Å; T82-D457 PolarHBondContact N-OD2 3.43Å; T82-D457 PolarHBondContact OG1-OD2 3.41Å
83	C	97.6	Very high	93.6	Very high	51 Å²	51	48.8 Å²	48.8	35%	0.345	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	52	173.5	-52.8	0	0	0	0	112.9	M79 C442	M79-C83 WeakPolarHBondContact O-CA 3.39Å; M79-C83 PolarHBondContact O-N 3.36Å; C83-C442 HydrophobicContact CB-CB 3.74Å; C83-C442 WeakPolarHBondContact CB-SG 3.31Å; C83-C442 WeakPolarHBondContact SG-CB 3.4Å; C83-C442 CovalentContact SG-SG 2.03Å; C83-C442 PolarHBondContact SG-SG 3.48Å
84	R	96.5	Very high	93.1	Very high	91 Å²	91	49 Å²	49	34%	0.343	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164	-175.1	68	-165.3	-167.4	92.6	2.1	112.6	H71 M79 T82 E91	H71-R84 CarbonylContact O-C 3.4Å; H71-R84 VanDerWaalsContact O-CA 3.32Å; H71-R84 WeakPolarHBondContact O-CA 3.5Å; M79-R84 HydrophobicContact CB-CG 4.01Å; M79-R84 WeakPolarHBondContact CB-O 3.47Å; M79-R84 PolarHBondContact N-O 2.79Å; M79-R84 PolarHBondContact O-N 2.81Å; M79-R84 HydrophobicContact SD-CG 4.49Å; M79-R84 PolarHBondContact SD-NH2 3.43Å; M79-R84 VanDerWaalsContact SD-NH2 3.36Å; T82-R84 PolarHBondContact O-N 3.06Å; T82-R84 VanDerWaalsContact OG1-CD 3.31Å; T82-R84 WeakPolarHBondContact OG1-CD 3.46Å; T82-R84 WeakPolarHBondContact OG1-CG 3.44Å; T82-R84 PolarHBondContact OG1-NE 3.48Å; R84-E91 IonicContact CZ-OE1 3.32Å; R84-E91 IonicContact NH1-OE1 2.58Å; R84-E91 PolarHBondContact NH1-OE1 2.83Å; R84-E91 IonicContact NH2-OE1 2.63Å; R84-E91 PolarHBondContact NH2-OE1 2.91Å
85	G	96.5	Very high	92.7	Very high	13 Å²	13	47.2 Å²	47.2	13%	0.134	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	144.8	172	0	0	0	0	0	113.3	H71 E77	H71-G85 PolarHBondContact O-N 2.93Å; H71-G85 VanDerWaalsContact O-N 3.13Å; E77-G85 WeakPolarHBondContact O-CA 3.47Å
86	R	94.3	Very high	92	Very high	15 Å²	15	52.2 Å²	52.2	6%	0.057	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.4	168.2	-175.5	174.7	-177.7	71.9	8.1	109.8	E77 M79 E91 P92 R94 D98 L101	E77-R86 HydrophobicContact CB-CB 4.14Å; E77-R86 PolarHBondContact O-N 2.78Å; E77-R86 WeakPolarHBondContact OE2-CD 3.45Å; M79-R86 HydrophobicContact CG-CB 3.94Å; M79-R86 HydrophobicContact SD-CB 4.09Å; M79-R86 HydrophobicContact SD-CG 4.38Å; R86-E91 HydrophobicContact CG-CG 4.48Å; R86-E91 VanDerWaalsContact NH1-CB 3.27Å; R86-P92 PolarHBondContact NH2-O 2.99Å; R86-R94 VanDerWaalsContact NE-CZ 3.33Å; R86-D98 IonicContact CZ-OD1 3.07Å; R86-D98 IonicContact CZ-OD2 2.69Å; R86-D98 IonicContact NE-OD1 3.17Å; R86-D98 PolarHBondContact NE-OD1 3.08Å; R86-D98 IonicContact NE-OD2 3.6Å; R86-D98 VanDerWaalsContact NH2-CG 3.31Å; R86-D98 IonicContact NH2-OD1 2.83Å; R86-D98 PolarHBondContact NH2-OD1 2.77Å; R86-D98 VanDerWaalsContact NH2-OD1 3.12Å; R86-D98 IonicContact NH2-OD2 2.68Å; R86-D98 PolarHBondContact NH2-OD2 3.33Å; R86-L101 HydrophobicContact CG-CD1 4.12Å
87	V	87.6	Confident	91.5	Very high	45 Å²	45	54.6 Å²	54.6	27%	0.273	32%	0.323	S	S	.	.			trans	-122.3	106.6	-177.4	-176	0	0	0	0	109.9	A75 G89 Q90 E91	A75-V87 HydrophobicContact CB-CG2 4.15Å; V87-G89 PolarHBondContact O-N 2.86Å; V87-G89 VanDerWaalsContact O-N 3.1Å; V87-Q90 HydrophobicContact CB-CB 4.45Å; V87-Q90 HydrophobicContact CB-CG 4.12Å; V87-Q90 HydrophobicContact CG1-CG 4.14Å; V87-Q90 WeakPolarHBondContact O-CB 3.24Å; V87-Q90 PolarHBondContact O-N 3.43Å; V87-E91 PolarHBondContact N-OE2 3.48Å
88	R	84.3	Confident	91.2	Very high	55 Å²	55	54.7 Å²	54.7	21%	0.208	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-52.8	117.1	-175.6	-169.4	174.8	-177	-175.8	0.2	112.6	D98 D99 L101 K103 V142	R88-D98 WeakPolarHBondContact CD-O 3.38Å; R88-D98 PolarHBondContact NE-O 3.28Å; R88-D98 PolarHBondContact NH1-O 3.1Å; R88-D99 IonicContact CZ-OD1 3.72Å; R88-D99 IonicContact NH1-OD1 3.61Å; R88-D99 IonicContact NH2-OD1 3.57Å; R88-D99 PolarHBondContact NH2-OD1 3.49Å; R88-L101 HydrophobicContact CB-CB 4.33Å; R88-L101 WeakPolarHBondContact CD-O 3.38Å; R88-L101 PolarHBondContact NH1-O 2.71Å; R88-K103 WeakPolarHBondContact O-CE 3.28Å; R88-K103 PolarHBondContact O-NZ 3.11Å; R88-V142 PolarHBondContact NH1-O 3.3Å; R88-V142 PolarHBondContact NH2-O 3.27Å
89	G	82.9	Confident	90.8	Very high	75 Å²	75	55.3 Å²	55.3	77%	0.773	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	-6.3	-174.5	0	0	0	0	0	115.4	V87	V87-G89 PolarHBondContact O-N 2.86Å; V87-G89 VanDerWaalsContact O-N 3.1Å
90	Q	87.6	Confident	90.6	Very high	142 Å²	142	54.8 Å²	54.8	66%	0.664	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-41.9	171.2	-58.6	-172.6	14.8	0	0	111.6	V87	V87-Q90 HydrophobicContact CB-CB 4.45Å; V87-Q90 HydrophobicContact CB-CG 4.12Å; V87-Q90 HydrophobicContact CG1-CG 4.14Å; V87-Q90 WeakPolarHBondContact O-CB 3.24Å; V87-Q90 PolarHBondContact O-N 3.43Å
91	E	89.8	Confident	90.4	Very high	22 Å²	22	54.8 Å²	54.8	10%	0.103	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-81.6	156.5	171.9	-75.3	64.7	-118.8	0	0	112.5	M79 R84 R86 V87	M79-E91 HydrophobicContact CE-CG 4.13Å; M79-E91 HydrophobicContact SD-CG 3.71Å; R84-E91 IonicContact CZ-OE1 3.32Å; R84-E91 IonicContact NH1-OE1 2.58Å; R84-E91 PolarHBondContact NH1-OE1 2.83Å; R84-E91 IonicContact NH2-OE1 2.63Å; R84-E91 PolarHBondContact NH2-OE1 2.91Å; R86-E91 HydrophobicContact CG-CG 4.48Å; R86-E91 VanDerWaalsContact NH1-CB 3.27Å; V87-E91 PolarHBondContact N-OE2 3.48Å
92	P	88.2	Confident	90.2	Very high	114 Å²	114	51.2 Å²	51.2	74%	0.74	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-51.9	139.4	159.8	-24.2	34.5	0	0	0	111.8	R86	R86-P92 PolarHBondContact NH2-O 2.99Å
93	S	87.7	Confident	90	Very high	95 Å²	95	52.3 Å²	52.3	66%	0.664	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-65.1	137.7	178.7	-179.7	0	0	0	0	111.8	G95 D98	S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact OG-N 2.97Å; S93-D98 WeakPolarHBondContact CA-OD2 3.39Å
94	R	86.6	Confident	89.9	Confident	51 Å²	51	49.9 Å²	49.9	19%	0.192	29%	0.288	C	S	.	.			trans	-88.5	10.8	168.4	-65.5	178.5	-58.3	-176.3	7.4	112.6	E77 R86 V97 D98	E77-R94 VanDerWaalsContact CD-NH2 3.33Å; E77-R94 IonicContact OE1-CZ 3.11Å; E77-R94 IonicContact OE1-NH1 2.72Å; E77-R94 IonicContact OE1-NH2 3.25Å; E77-R94 PolarHBondContact OE1-NH2 2.77Å; E77-R94 VanDerWaalsContact OE1-NH2 3.11Å; E77-R94 IonicContact OE2-CZ 2.67Å; E77-R94 IonicContact OE2-NH1 3.87Å; E77-R94 PolarHBondContact OE2-NH1 2.92Å; E77-R94 IonicContact OE2-NH2 2.8Å; E77-R94 PolarHBondContact OE2-NH2 2.78Å; R86-R94 VanDerWaalsContact NE-CZ 3.33Å; R94-V97 HydrophobicContact CB-CB 3.88Å; R94-V97 HydrophobicContact CB-CG1 4.2Å; R94-D98 IonicContact CZ-OD1 2.79Å; R94-D98 VanDerWaalsContact CZ-OD1 3.25Å; R94-D98 PolarHBondContact N-OD2 2.86Å; R94-D98 IonicContact NE-OD1 2.7Å; R94-D98 PolarHBondContact NE-OD1 2.87Å; R94-D98 IonicContact NH2-OD1 3.29Å; R94-D98 PolarHBondContact NH2-OD1 3.14Å
95	G	87.8	Confident	89.9	Confident	38 Å²	38	45.8 Å²	45.8	39%	0.392	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	73.3	-145.4	-170.4	0	0	0	0	0	111.4	S93 V97 D98	S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact OG-N 2.97Å; G95-V97 PolarHBondContact O-N 2.96Å; G95-D98 PolarHBondContact O-N 3.05Å
96	D	82.4	Confident	89.9	Confident	120 Å²	120	45.2 Å²	45.2	64%	0.642	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-54	-25.1	-176	-53.8	-27.5	0	0	0	113.6	D98 D99 R205	D96-D98 PolarHBondContact O-N 3.47Å; D96-D99 VanDerWaalsContact O-CB 3.31Å; D96-D99 WeakPolarHBondContact O-CB 3.37Å; D96-D99 PolarHBondContact O-N 3.22Å; D96-R205 IonicContact OD1-CZ 3.11Å; D96-R205 IonicContact OD1-NH2 3.68Å; D96-R205 PolarHBondContact OD1-NH2 2.92Å
97	V	86.3	Confident	90.1	Very high	53 Å²	53	44.5 Å²	44.5	32%	0.321	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55	-34.5	173.8	177.8	0	0	0	0	112.6	R94 G95 D99	R94-V97 HydrophobicContact CB-CB 3.88Å; R94-V97 HydrophobicContact CB-CG1 4.2Å; G95-V97 PolarHBondContact O-N 2.96Å; V97-D99 VanDerWaalsContact C-N 3.26Å; V97-D99 PolarHBondContact O-N 3.46Å
98	D	90.3	Very high	90.6	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.027	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-79.2	-5.5	179.2	-72.6	-30.1	0	0	0	113.6	R86 R88 S93 R94 G95 D96 A100 L101	R86-D98 IonicContact CZ-OD1 3.07Å; R86-D98 IonicContact CZ-OD2 2.69Å; R86-D98 IonicContact NE-OD1 3.17Å; R86-D98 PolarHBondContact NE-OD1 3.08Å; R86-D98 IonicContact NE-OD2 3.6Å; R86-D98 VanDerWaalsContact NH2-CG 3.31Å; R86-D98 IonicContact NH2-OD1 2.83Å; R86-D98 PolarHBondContact NH2-OD1 2.77Å; R86-D98 VanDerWaalsContact NH2-OD1 3.12Å; R86-D98 IonicContact NH2-OD2 2.68Å; R86-D98 PolarHBondContact NH2-OD2 3.33Å; R88-D98 WeakPolarHBondContact CD-O 3.38Å; R88-D98 PolarHBondContact NE-O 3.28Å; R88-D98 PolarHBondContact NH1-O 3.1Å; S93-D98 WeakPolarHBondContact CA-OD2 3.39Å; R94-D98 IonicContact CZ-OD1 2.79Å; R94-D98 VanDerWaalsContact CZ-OD1 3.25Å; R94-D98 PolarHBondContact N-OD2 2.86Å; R94-D98 IonicContact NE-OD1 2.7Å; R94-D98 PolarHBondContact NE-OD1 2.87Å; R94-D98 IonicContact NH2-OD1 3.29Å; R94-D98 PolarHBondContact NH2-OD1 3.14Å; G95-D98 PolarHBondContact O-N 3.05Å; D96-D98 PolarHBondContact O-N 3.47Å; D98-A100 PolarHBondContact O-N 3.12Å; D98-L101 HydrophobicContact CB-CD1 4.33Å; D98-L101 WeakPolarHBondContact O-CB 3.3Å; D98-L101 PolarHBondContact O-N 3.41Å; D98-L101 WeakPolarHBondContact OD1-CD1 3.48Å
99	D	91.3	Very high	91.3	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-71.8	-14.3	174.4	-73.9	-41.8	0	0	0	113.6	R88 D96 V97 L101 V143 S144 R205	R88-D99 IonicContact CZ-OD1 3.72Å; R88-D99 IonicContact NH1-OD1 3.61Å; R88-D99 IonicContact NH2-OD1 3.57Å; R88-D99 PolarHBondContact NH2-OD1 3.49Å; D96-D99 VanDerWaalsContact O-CB 3.31Å; D96-D99 WeakPolarHBondContact O-CB 3.37Å; D96-D99 PolarHBondContact O-N 3.22Å; V97-D99 VanDerWaalsContact C-N 3.26Å; V97-D99 PolarHBondContact O-N 3.46Å; D99-L101 PolarHBondContact O-N 2.94Å; D99-V143 CarbonylContact O-C 3.58Å; D99-V143 VanDerWaalsContact O-CA 3.26Å; D99-V143 WeakPolarHBondContact O-CA 3.11Å; D99-V143 WeakPolarHBondContact O-CB 3.34Å; D99-S144 PolarHBondContact O-N 2.86Å; D99-R205 IonicContact OD1-NE 2.81Å; D99-R205 IonicContact OD2-CZ 3.48Å; D99-R205 IonicContact OD2-NE 3.88Å; D99-R205 PolarHBondContact OD2-NE 2.81Å; D99-R205 IonicContact OD2-NH2 3.4Å; D99-R205 PolarHBondContact OD2-NH2 2.83Å
100	A	92.8	Very high	92.1	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.033	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-69.5	-20.4	165.9	0	0	0	0	0	112.7	D98 G102 F104 L106 E147	D98-A100 PolarHBondContact O-N 3.12Å; A100-G102 PolarHBondContact O-N 3.27Å; A100-F104 WeakPolarHBondContact O-CZ 3.42Å; A100-L106 HydrophobicContact CB-CD2 4.26Å; A100-E147 HydrophobicContact CB-CB 3.86Å; A100-E147 HydrophobicContact CB-CG 4.01Å
101	L	94.4	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.174	C	C	.	.			trans	-92.6	100.4	-172.9	-45.5	-177.9	0	0	0	111	D76 E77 R86 R88 D98 D99 L106	D76-L101 HydrophobicContact CB-CB 4.24Å; D76-L101 HydrophobicContact CB-CD2 3.7Å; D76-L101 HydrophobicContact CB-CG 4.47Å; E77-L101 HydrophobicContact CG-CD2 3.81Å; R86-L101 HydrophobicContact CG-CD1 4.12Å; R88-L101 HydrophobicContact CB-CB 4.33Å; R88-L101 WeakPolarHBondContact CD-O 3.38Å; R88-L101 PolarHBondContact NH1-O 2.71Å; D98-L101 HydrophobicContact CB-CD1 4.33Å; D98-L101 WeakPolarHBondContact O-CB 3.3Å; D98-L101 PolarHBondContact O-N 3.41Å; D98-L101 WeakPolarHBondContact OD1-CD1 3.48Å; D99-L101 PolarHBondContact O-N 2.94Å; L101-L106 HydrophobicContact CD2-CD2 4.1Å
102	G	92.3	Very high	93	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.			trans	-104.9	9.4	-179.8	0	0	0	0	0	116	D76 A100 N139	D76-G102 PolarHBondContact OD2-N 2.68Å; A100-G102 PolarHBondContact O-N 3.27Å; G102-N139 PolarHBondContact O-ND2 3.39Å
103	K	93.4	Very high	93.4	Very high	98 Å²	98	23 Å²	23	43%	0.426	13%	0.133	S	C	.	.	S	Bend	trans	62.7	43.4	-176.5	-56.1	176.6	-177.6	178.3	0	112.8	D76 R88 N139 V141	D76-K103 PolarHBondContact OD1-N 2.87Å; D76-K103 VanDerWaalsContact OD2-CA 3.24Å; D76-K103 WeakPolarHBondContact OD2-CA 3.33Å; D76-K103 PolarHBondContact OD2-N 2.83Å; R88-K103 WeakPolarHBondContact O-CE 3.28Å; R88-K103 PolarHBondContact O-NZ 3.11Å; K103-N139 PolarHBondContact O-ND2 2.9Å; K103-V141 HydrophobicContact CD-CG2 4.05Å; K103-V141 HydrophobicContact CG-CG2 4.39Å
104	F	94.5	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-123.2	20	-176.8	47.4	-127.8	0	0	0	112.7	D76 A100 L106 I109 V135 L137 V143 V152 L208	D76-F104 PolarHBondContact OD1-N 2.92Å; A100-F104 WeakPolarHBondContact O-CZ 3.42Å; F104-L106 HydrophobicContact CD2-CB 4.16Å; F104-L106 HydrophobicContact CE2-CB 3.74Å; F104-L106 HydrophobicContact CE2-CD1 3.88Å; F104-L106 HydrophobicContact CE2-CG 4.3Å; F104-I109 HydrophobicContact CD2-CD1 4.43Å; F104-I109 VanDerWaalsContact O-CD1 3.26Å; F104-I109 WeakPolarHBondContact O-CD1 3.4Å; F104-V135 HydrophobicContact CB-CG1 3.92Å; F104-V135 WeakPolarHBondContact O-CG2 3.46Å; F104-L137 HydrophobicContact CB-CD2 4.29Å; F104-V143 HydrophobicContact CE1-CG1 4.46Å; F104-V152 HydrophobicContact CD2-CG1 4.47Å; F104-V152 HydrophobicContact CD2-CG2 4.11Å; F104-V152 HydrophobicContact CE1-CG2 4.07Å; F104-V152 HydrophobicContact CE2-CG1 4.5Å; F104-V152 HydrophobicContact CE2-CG2 3.38Å; F104-V152 HydrophobicContact CZ-CG2 3.38Å; F104-L208 HydrophobicContact CD1-CD1 4Å; F104-L208 HydrophobicContact CE1-CD1 4.1Å
105	S	96.7	Very high	94.5	Very high	4 Å²	4	16 Å²	16	3%	0.028	9%	0.093	C	C	.	.			trans	58	49.9	-177.2	-50.4	0	0	0	0	112.4	P74 D76 T107 L108 I109	P74-S105 WeakPolarHBondContact CB-OG 3.5Å; P74-S105 WeakPolarHBondContact O-CA 3.46Å; P74-S105 WeakPolarHBondContact O-CB 3.37Å; P74-S105 PolarHBondContact O-OG 3.42Å; D76-S105 PolarHBondContact OD1-N 3.36Å; S105-T107 PolarHBondContact O-N 2.97Å; S105-L108 WeakPolarHBondContact O-CA 3.3Å; S105-L108 VanDerWaalsContact O-CB 3.31Å; S105-L108 WeakPolarHBondContact O-CB 3.35Å; S105-L108 PolarHBondContact O-N 2.92Å; S105-I109 PolarHBondContact O-N 2.91Å
106	L	97.8	Very high	94.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-36.7	-62.4	-175.4	177.3	57.1	0	0	0	113.8	D76 A100 L101 F104 L108 I109 D110 R151 V152	D76-L106 HydrophobicContact CB-CB 3.78Å; D76-L106 PolarHBondContact OD1-N 2.93Å; D76-L106 VanDerWaalsContact OD1-N 3.11Å; A100-L106 HydrophobicContact CB-CD2 4.26Å; L101-L106 HydrophobicContact CD2-CD2 4.1Å; F104-L106 HydrophobicContact CD2-CB 4.16Å; F104-L106 HydrophobicContact CE2-CB 3.74Å; F104-L106 HydrophobicContact CE2-CD1 3.88Å; F104-L106 HydrophobicContact CE2-CG 4.3Å; L106-L108 PolarHBondContact O-N 2.87Å; L106-L108 VanDerWaalsContact O-N 3.12Å; L106-I109 PolarHBondContact O-N 2.93Å; L106-D110 VanDerWaalsContact O-CB 3.31Å; L106-D110 WeakPolarHBondContact O-CB 3.41Å; L106-D110 PolarHBondContact O-N 2.72Å; L106-R151 HydrophobicContact CD1-CB 3.68Å; L106-R151 HydrophobicContact CD1-CG 4.4Å; L106-V152 HydrophobicContact CD1-CG2 4.04Å
107	T	98.3	Very high	95.6	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-58	-26.8	-178.3	-65.8	0	0	0	0	114.4	Y68 D76 S105 S111 S461 L464	Y68-T107 HydrophobicContact CD1-CG2 3.91Å; Y68-T107 HydrophobicContact CD2-CG2 3.78Å; Y68-T107 HydrophobicContact CE1-CG2 4.09Å; Y68-T107 HydrophobicContact CE2-CG2 3.99Å; Y68-T107 HydrophobicContact CG-CG2 3.77Å; D76-T107 WeakPolarHBondContact O-CB 3.19Å; D76-T107 PolarHBondContact O-N 3.04Å; D76-T107 PolarHBondContact O-OG1 2.91Å; S105-T107 PolarHBondContact O-N 2.97Å; T107-S111 WeakPolarHBondContact O-CB 3.48Å; T107-S111 PolarHBondContact O-N 2.92Å; T107-S111 PolarHBondContact O-OG 3.25Å; T107-S461 WeakPolarHBondContact OG1-CA 3.12Å; T107-S461 VanDerWaalsContact OG1-CB 3.32Å; T107-S461 WeakPolarHBondContact OG1-CB 3.38Å; T107-L464 HydrophobicContact CG2-CD1 3.55Å; T107-L464 HydrophobicContact CG2-CG 4.22Å
108	L	98.4	Very high	96.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-71.6	-40.3	173.8	179.1	63.1	0	0	0	112.4	Y68 M69 Y73 S105 L106 L112 A127 K130 V131	Y68-L108 HydrophobicContact CE1-CB 4.03Å; M69-L108 HydrophobicContact SD-CD1 4.03Å; Y73-L108 HydrophobicContact CD2-CD2 4.02Å; Y73-L108 HydrophobicContact CE2-CD2 3.59Å; S105-L108 WeakPolarHBondContact O-CA 3.3Å; S105-L108 VanDerWaalsContact O-CB 3.31Å; S105-L108 WeakPolarHBondContact O-CB 3.35Å; S105-L108 PolarHBondContact O-N 2.92Å; L106-L108 PolarHBondContact O-N 2.87Å; L106-L108 VanDerWaalsContact O-N 3.12Å; L108-L112 WeakPolarHBondContact O-CG 3.44Å; L108-A127 HydrophobicContact CD1-CB 3.82Å; L108-K130 HydrophobicContact CD2-CB 3.74Å; L108-V131 HydrophobicContact CD2-CG2 3.81Å; L108-V131 HydrophobicContact CG-CG2 3.82Å
109	I	98.5	Very high	96.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.6	-44.8	178.2	-61.7	174.7	0	0	0	109.7	F104 S105 L106 S111 L112 V131 V135 V152 L156	F104-I109 HydrophobicContact CD2-CD1 4.43Å; F104-I109 VanDerWaalsContact O-CD1 3.26Å; F104-I109 WeakPolarHBondContact O-CD1 3.4Å; S105-I109 PolarHBondContact O-N 2.91Å; L106-I109 PolarHBondContact O-N 2.93Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 3.47Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 VanDerWaalsContact O-CG 3.27Å; I109-L112 WeakPolarHBondContact O-CG 3.45Å; I109-L112 PolarHBondContact O-N 2.72Å; I109-V131 HydrophobicContact CG1-CG1 4.41Å; I109-V131 HydrophobicContact CG1-CG2 4.11Å; I109-V135 HydrophobicContact CD1-CG1 3.99Å; I109-V135 HydrophobicContact CD1-CG2 4.27Å; I109-V152 HydrophobicContact CD1-CG1 3.84Å; I109-V152 HydrophobicContact CG2-CG1 4.35Å; I109-L156 HydrophobicContact CG2-CD2 4.14Å; I109-L156 HydrophobicContact CG2-CG 3.93Å
110	D	98.3	Very high	96.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.1	-34	-174.1	-156.3	24.4	0	0	0	112.5	L106 S461 F462 A465 H495	L106-D110 VanDerWaalsContact O-CB 3.31Å; L106-D110 WeakPolarHBondContact O-CB 3.41Å; L106-D110 PolarHBondContact O-N 2.72Å; D110-S461 WeakPolarHBondContact OD2-CB 2.98Å; D110-S461 PolarHBondContact OD2-OG 3.36Å; D110-F462 PolarHBondContact OD2-N 3.01Å; D110-A465 HydrophobicContact CB-CB 4.31Å; D110-A465 VanDerWaalsContact CG-CB 3.46Å; D110-A465 VanDerWaalsContact O-CB 3.31Å; D110-A465 WeakPolarHBondContact O-CB 3.12Å; D110-A465 WeakPolarHBondContact OD1-CB 3.49Å; D110-H495 PolarHBondContact O-CE1 2.95Å; D110-H495 IonicContact OD1-CE1 3.54Å; D110-H495 PolarHBondContact OD1-CE1 2.89Å; D110-H495 IonicContact OD1-NE2 2.89Å; D110-H495 PolarHBondContact OD1-NE2 2.88Å
111	S	98.3	Very high	96.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	0.4	178.8	60.4	0	0	0	0	115.3	Y65 T107 I109 D113 T114 L115	Y65-S111 WeakPolarHBondContact CE2-OG 3.43Å; T107-S111 WeakPolarHBondContact O-CB 3.48Å; T107-S111 PolarHBondContact O-N 2.92Å; T107-S111 PolarHBondContact O-OG 3.25Å; I109-S111 VanDerWaalsContact C-N 3.32Å; I109-S111 PolarHBondContact O-N 3.47Å; S111-D113 PolarHBondContact O-N 3.13Å; S111-T114 WeakPolarHBondContact O-CB 3.45Å; S111-T114 PolarHBondContact O-N 3.03Å; S111-L115 WeakPolarHBondContact O-CG 3.41Å; S111-L115 PolarHBondContact O-N 3.28Å; S111-L115 VanDerWaalsContact O-N 3.12Å
112	L	98.5	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.4	-50.9	-175.4	-78.9	177.4	0	0	0	113	L108 I109 L115 F124 A127 V128 V131 L180	L108-L112 WeakPolarHBondContact O-CG 3.44Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 VanDerWaalsContact O-CG 3.27Å; I109-L112 WeakPolarHBondContact O-CG 3.45Å; I109-L112 PolarHBondContact O-N 2.72Å; L112-L115 PolarHBondContact O-N 2.95Å; L112-F124 HydrophobicContact CB-CD2 4.48Å; L112-F124 HydrophobicContact CB-CE2 4.2Å; L112-F124 HydrophobicContact CD2-CD2 4.28Å; L112-F124 HydrophobicContact CD2-CE2 4.29Å; L112-F124 WeakPolarHBondContact O-CD2 3.45Å; L112-A127 HydrophobicContact CD2-CB 3.79Å; L112-V128 HydrophobicContact CD2-CG2 4.03Å; L112-V131 HydrophobicContact CD1-CG2 4.4Å; L112-V131 HydrophobicContact CD2-CG2 4.38Å; L112-L180 HydrophobicContact CD1-CD1 4.36Å; L112-L180 HydrophobicContact CD1-CD2 4.39Å
113	D	97.3	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-80.1	-26.2	-177.1	64	-0.4	0	0	0	113	S111 L115 V116 V117 L162 K469 H495 L496	S111-D113 PolarHBondContact O-N 3.13Å; D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 3.46Å; D113-V116 PolarHBondContact O-N 3.49Å; D113-V116 VanDerWaalsContact O-N 3.13Å; D113-V117 WeakPolarHBondContact O-CG2 3.4Å; D113-V117 PolarHBondContact O-N 3.36Å; D113-L162 HydrophobicContact CB-CD1 3.66Å; D113-L162 HydrophobicContact CB-CG 4.4Å; D113-K469 WeakPolarHBondContact OD1-CE 3.09Å; D113-K469 IonicContact OD1-NZ 2.89Å; D113-K469 PolarHBondContact OD1-NZ 3.32Å; D113-K469 IonicContact OD2-NZ 2.9Å; D113-H495 IonicContact OD1-ND1 2.92Å; D113-H495 PolarHBondContact OD1-ND1 2.85Å; D113-H495 WeakPolarHBondContact OD2-CA 3.37Å; D113-H495 WeakPolarHBondContact OD2-CB 3.47Å; D113-H495 IonicContact OD2-CG 3.12Å; D113-H495 IonicContact OD2-ND1 2.71Å; D113-L496 PolarHBondContact OD2-N 3.44Å
114	T	98.2	Very high	97.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.4	-43.9	167	-55.7	0	0	0	0	111.4	F61 S111 V116 V117 L118 L464 A465 K469	F61-T114 HydrophobicContact CD2-CG2 4.05Å; F61-T114 HydrophobicContact CE2-CG2 3.56Å; F61-T114 HydrophobicContact CZ-CG2 4.25Å; S111-T114 WeakPolarHBondContact O-CB 3.45Å; S111-T114 PolarHBondContact O-N 3.03Å; T114-V116 PolarHBondContact O-N 2.96Å; T114-V117 PolarHBondContact O-N 3.16Å; T114-V117 VanDerWaalsContact O-N 3.15Å; T114-L118 HydrophobicContact CG2-CD1 3.68Å; T114-L118 HydrophobicContact CG2-CG 3.83Å; T114-L118 WeakPolarHBondContact O-CB 3.48Å; T114-L118 VanDerWaalsContact O-CG 3.3Å; T114-L118 WeakPolarHBondContact O-CG 3.43Å; T114-L118 PolarHBondContact O-N 3.4Å; T114-L464 WeakPolarHBondContact CB-O 3.35Å; T114-L464 VanDerWaalsContact CG2-O 3.32Å; T114-L464 WeakPolarHBondContact CG2-O 3.45Å; T114-L464 PolarHBondContact OG1-O 3.15Å; T114-A465 WeakPolarHBondContact OG1-CA 3.43Å; T114-A465 PolarHBondContact OG1-O 3.41Å; T114-A465 VanDerWaalsContact OG1-O 3.11Å; T114-K469 HydrophobicContact CG2-CB 4.34Å; T114-K469 VanDerWaalsContact OG1-CE 3.24Å; T114-K469 WeakPolarHBondContact OG1-CE 3.5Å
115	L	98.1	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.5	-38	178.3	-68.5	166.2	0	0	0	111.9	F61 Y65 S111 L112 D113 N119 K120 E123 F124 A127	F61-L115 HydrophobicContact CE1-CD2 3.63Å; F61-L115 HydrophobicContact CZ-CD2 3.71Å; F61-L115 HydrophobicContact CZ-CG 4.31Å; Y65-L115 HydrophobicContact CD1-CD2 4.26Å; Y65-L115 HydrophobicContact CE1-CD1 4.49Å; Y65-L115 HydrophobicContact CE1-CD2 3.94Å; Y65-L115 HydrophobicContact CE2-CD1 4.47Å; S111-L115 WeakPolarHBondContact O-CG 3.41Å; S111-L115 PolarHBondContact O-N 3.28Å; S111-L115 VanDerWaalsContact O-N 3.12Å; L112-L115 PolarHBondContact O-N 2.95Å; D113-L115 VanDerWaalsContact C-N 3.29Å; D113-L115 PolarHBondContact O-N 3.46Å; L115-N119 PolarHBondContact O-N 3.41Å; L115-K120 HydrophobicContact CB-CB 4.42Å; L115-K120 HydrophobicContact CD2-CB 4.17Å; L115-K120 HydrophobicContact CD2-CD 4.21Å; L115-K120 CarbonylContact O-C 3.53Å; L115-K120 WeakPolarHBondContact O-CA 3.49Å; L115-K120 WeakPolarHBondContact O-CB 3.42Å; L115-K120 PolarHBondContact O-N 3.05Å; L115-E123 HydrophobicContact CD2-CB 4.15Å; L115-F124 HydrophobicContact CB-CB 3.88Å; L115-F124 HydrophobicContact CD1-CB 4.47Å; L115-A127 HydrophobicContact CD1-CB 3.77Å
116	V	96.9	Very high	97.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-74.7	-40.4	177.5	-172.6	0	0	0	0	111.8	D113 T114 L118 N119 F124 L162 M165 L166 I482 F483	D113-V116 PolarHBondContact O-N 3.49Å; D113-V116 VanDerWaalsContact O-N 3.13Å; T114-V116 PolarHBondContact O-N 2.96Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.22Å; V116-N119 PolarHBondContact O-N 3.37Å; V116-N119 VanDerWaalsContact O-N 3.1Å; V116-F124 HydrophobicContact CG2-CB 3.95Å; V116-F124 HydrophobicContact CG2-CD1 3.6Å; V116-F124 HydrophobicContact CG2-CD2 3.6Å; V116-F124 HydrophobicContact CG2-CE1 3.91Å; V116-F124 HydrophobicContact CG2-CE2 3.9Å; V116-F124 HydrophobicContact CG2-CG 3.42Å; V116-F124 VanDerWaalsContact CG2-CG 3.42Å; V116-F124 HydrophobicContact CG2-CZ 4.04Å; V116-L162 HydrophobicContact CB-CB 4.32Å; V116-L162 HydrophobicContact CB-CD1 3.64Å; V116-L162 HydrophobicContact CG1-CB 4.2Å; V116-L162 HydrophobicContact CG1-CD1 3.91Å; V116-L162 HydrophobicContact CG2-CB 4.1Å; V116-L162 HydrophobicContact CG2-CD1 4.15Å; V116-M165 HydrophobicContact CG1-CE 3.9Å; V116-L166 HydrophobicContact CG1-CD1 4Å; V116-L166 HydrophobicContact CG1-CD2 4.38Å; V116-L166 HydrophobicContact CG1-CG 4.29Å; V116-L166 HydrophobicContact CG2-CD1 4.02Å; V116-I482 HydrophobicContact CG1-CD1 3.99Å; V116-F483 HydrophobicContact CG1-CE1 4.14Å
117	V	96.8	Very high	97.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-59.7	-40.5	174.2	172.1	0	0	0	0	111.4	D113 T114 N119 K469 Y472 L473 F483 L496	D113-V117 WeakPolarHBondContact O-CG2 3.4Å; D113-V117 PolarHBondContact O-N 3.36Å; T114-V117 PolarHBondContact O-N 3.16Å; T114-V117 VanDerWaalsContact O-N 3.15Å; V117-N119 PolarHBondContact O-N 3.27Å; V117-K469 HydrophobicContact CG1-CG 4.21Å; V117-K469 HydrophobicContact CG2-CG 4.39Å; V117-Y472 HydrophobicContact CG1-CD1 4.14Å; V117-Y472 VanDerWaalsContact O-CE1 3.24Å; V117-Y472 WeakPolarHBondContact O-CE1 3.33Å; V117-L473 HydrophobicContact CG1-CD1 4.29Å; V117-L473 HydrophobicContact CG1-CD2 3.84Å; V117-L473 HydrophobicContact CG1-CG 3.95Å; V117-F483 HydrophobicContact CG2-CE1 4.37Å; V117-F483 HydrophobicContact CG2-CZ 3.99Å; V117-L496 HydrophobicContact CG2-CD1 3.54Å
118	L	96.7	Very high	97.4	Very high	4 Å²	4	22 Å²	22	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	9.8	177.4	-61.5	-172.1	0	0	0	113.9	L58 F61 T114 V116 K120 Y472	L58-L118 HydrophobicContact CD2-CB 3.71Å; L58-L118 HydrophobicContact CD2-CD1 4.3Å; L58-L118 HydrophobicContact CD2-CD2 3.95Å; L58-L118 HydrophobicContact CD2-CG 4.19Å; F61-L118 HydrophobicContact CB-CD1 3.75Å; F61-L118 HydrophobicContact CD1-CD1 3.62Å; F61-L118 HydrophobicContact CD2-CD1 3.42Å; F61-L118 VanDerWaalsContact CD2-CD1 3.42Å; F61-L118 HydrophobicContact CE1-CD1 4.06Å; F61-L118 HydrophobicContact CE2-CD1 3.87Å; F61-L118 HydrophobicContact CG-CD1 3.28Å; F61-L118 HydrophobicContact CZ-CD1 4.17Å; T114-L118 HydrophobicContact CG2-CD1 3.68Å; T114-L118 HydrophobicContact CG2-CG 3.83Å; T114-L118 WeakPolarHBondContact O-CB 3.48Å; T114-L118 VanDerWaalsContact O-CG 3.3Å; T114-L118 WeakPolarHBondContact O-CG 3.43Å; T114-L118 PolarHBondContact O-N 3.4Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.22Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 HydrophobicContact CB-CD 4.19Å; L118-K120 HydrophobicContact CB-CG 4.37Å; L118-K120 PolarHBondContact O-N 3.33Å; L118-Y472 HydrophobicContact CD2-CD1 3.65Å; L118-Y472 HydrophobicContact CD2-CD2 3.71Å; L118-Y472 HydrophobicContact CD2-CE1 4.32Å; L118-Y472 HydrophobicContact CD2-CE2 4.39Å; L118-Y472 HydrophobicContact CD2-CG 3.28Å
119	N	94.8	Very high	97.4	Very high	84 Å²	84	26.8 Å²	26.8	45%	0.449	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	33.2	180	-159.6	4.2	0	0	0	114.4	L115 V116 V117 I482	L115-N119 PolarHBondContact O-N 3.41Å; V116-N119 PolarHBondContact O-N 3.37Å; V116-N119 VanDerWaalsContact O-N 3.1Å; V117-N119 PolarHBondContact O-N 3.27Å; N119-I482 HydrophobicContact CB-CG2 4.37Å; N119-I482 WeakPolarHBondContact OD1-CG2 3.35Å
120	K	95.9	Very high	97.4	Very high	27 Å²	27	29 Å²	29	12%	0.117	14%	0.135	C	C	.	.			trans	-102.5	56.8	177.3	-64.1	172.8	178.5	-73.3	0	110.4	F61 D62 L115 L118 K122 E123 F124	F61-K120 HydrophobicContact CD1-CD 4.12Å; F61-K120 HydrophobicContact CE1-CD 4.03Å; D62-K120 WeakPolarHBondContact OD1-CE 3.23Å; D62-K120 IonicContact OD1-NZ 2.89Å; D62-K120 PolarHBondContact OD1-NZ 3.34Å; D62-K120 IonicContact OD2-NZ 3.93Å; D62-K120 PolarHBondContact OD2-NZ 2.94Å; L115-K120 HydrophobicContact CB-CB 4.42Å; L115-K120 HydrophobicContact CD2-CB 4.17Å; L115-K120 HydrophobicContact CD2-CD 4.21Å; L115-K120 CarbonylContact O-C 3.53Å; L115-K120 WeakPolarHBondContact O-CA 3.49Å; L115-K120 WeakPolarHBondContact O-CB 3.42Å; L115-K120 PolarHBondContact O-N 3.05Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 HydrophobicContact CB-CD 4.19Å; L118-K120 HydrophobicContact CB-CG 4.37Å; L118-K120 PolarHBondContact O-N 3.33Å; K120-K122 VanDerWaalsContact C-N 3.3Å; K120-K122 PolarHBondContact O-N 2.8Å; K120-E123 VanDerWaalsContact CA-OE2 3.28Å; K120-E123 WeakPolarHBondContact CA-OE2 3.34Å; K120-E123 HydrophobicContact CB-CB 4.05Å; K120-E123 HydrophobicContact CB-CG 4.24Å; K120-E123 WeakPolarHBondContact CB-OE2 3.28Å; K120-E123 PolarHBondContact O-N 3.18Å; K120-F124 WeakPolarHBondContact O-CB 3.1Å; K120-F124 PolarHBondContact O-N 3.41Å
121	T	95.2	Very high	97.4	Very high	18 Å²	18	29 Å²	29	11%	0.11	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-28.7	-171.3	56.5	0	0	0	0	114.1	E125 L166 H172 I482	T121-E125 WeakPolarHBondContact O-CB 3.11Å; T121-E125 PolarHBondContact O-N 3.2Å; T121-L166 HydrophobicContact CG2-CD1 4.42Å; T121-L166 HydrophobicContact CG2-CD2 3.97Å; T121-H172 PolarHBondContact OG1-CD2 3.5Å; T121-H172 PolarHBondContact OG1-CE1 3.1Å; T121-H172 PolarHBondContact OG1-NE2 2.94Å; T121-I482 HydrophobicContact CG2-CD1 3.81Å
122	K	95.6	Very high	97.3	Very high	138 Å²	138	32 Å²	32	60%	0.6	15%	0.15	S	C	*	.	H	α-helix	trans	-76.7	-44	177.7	-67	165.6	-173.9	163.1	0	110.9	K120 F124 E125 D126	K120-K122 VanDerWaalsContact C-N 3.3Å; K120-K122 PolarHBondContact O-N 2.8Å; K122-F124 VanDerWaalsContact C-N 3.29Å; K122-F124 PolarHBondContact O-N 2.88Å; K122-E125 PolarHBondContact O-N 2.85Å; K122-D126 PolarHBondContact O-N 3.18Å
123	E	97.2	Very high	97.3	Very high	86 Å²	86	39.9 Å²	39.9	40%	0.402	18%	0.18	S	C	.	.	H	α-helix	trans	-63.6	-39.2	177.1	-61.3	68.5	-159.6	0	0	109.9	L115 K120 A127	L115-E123 HydrophobicContact CD2-CB 4.15Å; K120-E123 VanDerWaalsContact CA-OE2 3.28Å; K120-E123 WeakPolarHBondContact CA-OE2 3.34Å; K120-E123 HydrophobicContact CB-CB 4.05Å; K120-E123 HydrophobicContact CB-CG 4.24Å; K120-E123 WeakPolarHBondContact CB-OE2 3.28Å; K120-E123 PolarHBondContact O-N 3.18Å; E123-A127 WeakPolarHBondContact O-CB 3.29Å; E123-A127 PolarHBondContact O-N 2.84Å
124	F	98	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-53.7	167.8	171.8	-111	0	0	0	112.3	L112 L115 V116 K120 K122 D126 A127 V128 G159 A163 L166 M173	L112-F124 HydrophobicContact CB-CD2 4.48Å; L112-F124 HydrophobicContact CB-CE2 4.2Å; L112-F124 HydrophobicContact CD2-CD2 4.28Å; L112-F124 HydrophobicContact CD2-CE2 4.29Å; L112-F124 WeakPolarHBondContact O-CD2 3.45Å; L115-F124 HydrophobicContact CB-CB 3.88Å; L115-F124 HydrophobicContact CD1-CB 4.47Å; V116-F124 HydrophobicContact CG2-CB 3.95Å; V116-F124 HydrophobicContact CG2-CD1 3.6Å; V116-F124 HydrophobicContact CG2-CD2 3.6Å; V116-F124 HydrophobicContact CG2-CE1 3.91Å; V116-F124 HydrophobicContact CG2-CE2 3.9Å; V116-F124 HydrophobicContact CG2-CG 3.42Å; V116-F124 VanDerWaalsContact CG2-CG 3.42Å; V116-F124 HydrophobicContact CG2-CZ 4.04Å; K120-F124 WeakPolarHBondContact O-CB 3.1Å; K120-F124 PolarHBondContact O-N 3.41Å; K122-F124 VanDerWaalsContact C-N 3.29Å; K122-F124 PolarHBondContact O-N 2.88Å; F124-D126 VanDerWaalsContact C-N 3.25Å; F124-D126 PolarHBondContact O-N 3.24Å; F124-A127 WeakPolarHBondContact O-CA 3.24Å; F124-A127 WeakPolarHBondContact O-CB 3.32Å; F124-A127 PolarHBondContact O-N 3.1Å; F124-V128 HydrophobicContact CD2-CG2 4.07Å; F124-V128 HydrophobicContact CE1-CG2 4.22Å; F124-V128 HydrophobicContact CE2-CG2 3.64Å; F124-V128 HydrophobicContact CZ-CG2 3.73Å; F124-V128 WeakPolarHBondContact O-CG2 3.26Å; F124-V128 PolarHBondContact O-N 2.77Å; F124-G159 WeakPolarHBondContact CZ-O 3.23Å; F124-A163 HydrophobicContact CE1-CB 4.32Å; F124-A163 HydrophobicContact CZ-CB 4.13Å; F124-L166 HydrophobicContact CD1-CD1 3.64Å; F124-L166 HydrophobicContact CE1-CD1 3.71Å; F124-M173 HydrophobicContact CD1-CG 4.32Å; F124-M173 HydrophobicContact CD1-SD 3.96Å; F124-M173 HydrophobicContact CE1-CE 3.73Å; F124-M173 HydrophobicContact CE1-CG 3.86Å; F124-M173 HydrophobicContact CE1-SD 3.68Å; F124-M173 HydrophobicContact CZ-CE 4.21Å
125	E	97.6	Very high	97.1	Very high	28 Å²	28	44 Å²	44	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-37.6	-178.6	-172.1	176	146.1	0	0	112	T121 K122 R129 H172 M173 W175	T121-E125 WeakPolarHBondContact O-CB 3.11Å; T121-E125 PolarHBondContact O-N 3.2Å; K122-E125 PolarHBondContact O-N 2.85Å; E125-R129 WeakPolarHBondContact O-CG 3.23Å; E125-R129 PolarHBondContact O-N 3.38Å; E125-R129 IonicContact OE1-CZ 2.7Å; E125-R129 IonicContact OE1-NH1 3.75Å; E125-R129 PolarHBondContact OE1-NH1 2.9Å; E125-R129 IonicContact OE1-NH2 3.41Å; E125-R129 PolarHBondContact OE1-NH2 3.5Å; E125-H172 IonicContact OE2-CE1 2.73Å; E125-H172 IonicContact OE2-CG 2.69Å; E125-H172 IonicContact OE2-ND1 3.41Å; E125-H172 PolarHBondContact OE2-ND1 3.02Å; E125-M173 HydrophobicContact CB-SD 3.81Å; E125-M173 HydrophobicContact CG-SD 3.64Å; E125-M173 PolarHBondContact OE2-N 3.32Å; E125-W175 HydrophobicContact CG-CZ2 4.03Å; E125-W175 PolarHBondContact OE1-NE1 2.79Å
126	D	97.7	Very high	96.9	Very high	76 Å²	76	47.4 Å²	47.4	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-79.5	-20.3	172.9	-79.8	-15.2	0	0	0	114	K122 F124 R129 K130	K122-D126 PolarHBondContact O-N 3.18Å; F124-D126 VanDerWaalsContact C-N 3.25Å; F124-D126 PolarHBondContact O-N 3.24Å; D126-R129 IonicContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 3.44Å; D126-R129 PolarHBondContact OD1-NH1 3.11Å; D126-K130 VanDerWaalsContact C-NZ 3.3Å; D126-K130 WeakPolarHBondContact O-CG 3.45Å; D126-K130 PolarHBondContact O-N 2.71Å; D126-K130 PolarHBondContact O-NZ 2.87Å
127	A	98.3	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-73.6	-45.6	171	0	0	0	0	0	110.6	L108 L112 L115 E123 F124 R129 K130 V131	L108-A127 HydrophobicContact CD1-CB 3.82Å; L112-A127 HydrophobicContact CD2-CB 3.79Å; L115-A127 HydrophobicContact CD1-CB 3.77Å; E123-A127 WeakPolarHBondContact O-CB 3.29Å; E123-A127 PolarHBondContact O-N 2.84Å; F124-A127 WeakPolarHBondContact O-CA 3.24Å; F124-A127 WeakPolarHBondContact O-CB 3.32Å; F124-A127 PolarHBondContact O-N 3.1Å; A127-R129 VanDerWaalsContact C-N 3.3Å; A127-R129 PolarHBondContact O-N 2.88Å; A127-K130 WeakPolarHBondContact O-CA 3.45Å; A127-K130 WeakPolarHBondContact O-CB 3.22Å; A127-K130 PolarHBondContact O-N 3.02Å; A127-V131 PolarHBondContact O-N 3.1Å
128	V	98.6	Very high	96.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.9	-45.9	172.5	179.5	0	0	0	0	110.2	L112 F124 K130 V131 L132 M173 W175 Y176 L180	L112-V128 HydrophobicContact CD2-CG2 4.03Å; F124-V128 HydrophobicContact CD2-CG2 4.07Å; F124-V128 HydrophobicContact CE1-CG2 4.22Å; F124-V128 HydrophobicContact CE2-CG2 3.64Å; F124-V128 HydrophobicContact CZ-CG2 3.73Å; F124-V128 WeakPolarHBondContact O-CG2 3.26Å; F124-V128 PolarHBondContact O-N 2.77Å; V128-K130 VanDerWaalsContact C-N 3.25Å; V128-K130 PolarHBondContact O-N 3.41Å; V128-V131 PolarHBondContact O-N 2.85Å; V128-V131 VanDerWaalsContact O-N 3.16Å; V128-L132 HydrophobicContact CG1-CD1 4.16Å; V128-L132 HydrophobicContact CG1-CG 4.23Å; V128-L132 WeakPolarHBondContact O-CG 3.48Å; V128-L132 PolarHBondContact O-N 2.79Å; V128-M173 HydrophobicContact CB-CE 4.22Å; V128-M173 HydrophobicContact CG1-CE 4.16Å; V128-M173 HydrophobicContact CG2-CE 3.95Å; V128-W175 HydrophobicContact CB-CH2 4.47Å; V128-W175 HydrophobicContact CG1-CH2 3.91Å; V128-Y176 HydrophobicContact CG1-CD2 4.41Å; V128-Y176 HydrophobicContact CG1-CE2 4.42Å; V128-L180 HydrophobicContact CG1-CD1 3.98Å; V128-L180 HydrophobicContact CG1-CD2 4.13Å; V128-L180 HydrophobicContact CG1-CG 4.01Å; V128-L180 HydrophobicContact CG2-CD1 4.02Å
129	R	98.2	Very high	96.4	Very high	99 Å²	99	52.2 Å²	52.2	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-31.2	174.4	-73.7	174.3	-179.4	126.8	8.6	114.5	E125 D126 A127 R133 W175	E125-R129 WeakPolarHBondContact O-CG 3.23Å; E125-R129 PolarHBondContact O-N 3.38Å; E125-R129 IonicContact OE1-CZ 2.7Å; E125-R129 IonicContact OE1-NH1 3.75Å; E125-R129 PolarHBondContact OE1-NH1 2.9Å; E125-R129 IonicContact OE1-NH2 3.41Å; E125-R129 PolarHBondContact OE1-NH2 3.5Å; D126-R129 IonicContact OD1-CZ 3.3Å; D126-R129 IonicContact OD1-NH1 3.44Å; D126-R129 PolarHBondContact OD1-NH1 3.11Å; A127-R129 VanDerWaalsContact C-N 3.3Å; A127-R129 PolarHBondContact O-N 2.88Å; R129-R133 WeakPolarHBondContact O-CB 3.39Å; R129-W175 HydrophobicContact CG-CH2 3.99Å; R129-W175 HydrophobicContact CG-CZ2 3.84Å
130	K	98.3	Very high	96.4	Very high	48 Å²	48	51.5 Å²	51.5	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-75.2	-43.7	175	-73.1	178.1	-151.9	78	0	111	M69 Y73 L108 D126 A127 V128 L132 R133 D134	M69-K130 HydrophobicContact CE-CD 3.57Å; Y73-K130 HydrophobicContact CE1-CD 4.21Å; Y73-K130 HydrophobicContact CE2-CB 4.24Å; Y73-K130 HydrophobicContact CE2-CD 4.17Å; Y73-K130 WeakPolarHBondContact OH-CB 3.4Å; Y73-K130 WeakPolarHBondContact OH-CG 3.4Å; L108-K130 HydrophobicContact CD2-CB 3.74Å; D126-K130 VanDerWaalsContact C-NZ 3.3Å; D126-K130 WeakPolarHBondContact O-CG 3.45Å; D126-K130 PolarHBondContact O-N 2.71Å; D126-K130 PolarHBondContact O-NZ 2.87Å; A127-K130 WeakPolarHBondContact O-CA 3.45Å; A127-K130 WeakPolarHBondContact O-CB 3.22Å; A127-K130 PolarHBondContact O-N 3.02Å; V128-K130 VanDerWaalsContact C-N 3.25Å; V128-K130 PolarHBondContact O-N 3.41Å; K130-L132 PolarHBondContact O-N 3.06Å; K130-R133 PolarHBondContact O-N 3.46Å; K130-R133 VanDerWaalsContact O-N 3.1Å; K130-D134 PolarHBondContact O-N 3.21Å
131	V	98.3	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.6	-51.4	174.1	172.5	0	0	0	0	110.7	L108 I109 L112 A127 V128 R133 V135 L156 L180 M183	L108-V131 HydrophobicContact CD2-CG2 3.81Å; L108-V131 HydrophobicContact CG-CG2 3.82Å; I109-V131 HydrophobicContact CG1-CG1 4.41Å; I109-V131 HydrophobicContact CG1-CG2 4.11Å; L112-V131 HydrophobicContact CD1-CG2 4.4Å; L112-V131 HydrophobicContact CD2-CG2 4.38Å; A127-V131 PolarHBondContact O-N 3.1Å; V128-V131 PolarHBondContact O-N 2.85Å; V128-V131 VanDerWaalsContact O-N 3.16Å; V131-R133 PolarHBondContact O-N 2.71Å; V131-V135 HydrophobicContact CB-CG2 4.31Å; V131-V135 HydrophobicContact CG1-CB 4.4Å; V131-V135 HydrophobicContact CG1-CG2 4.11Å; V131-V135 HydrophobicContact CG2-CG2 4.44Å; V131-V135 VanDerWaalsContact O-CB 3.29Å; V131-V135 WeakPolarHBondContact O-CB 3.46Å; V131-V135 PolarHBondContact O-N 2.88Å; V131-L156 HydrophobicContact CG1-CD2 4.12Å; V131-L180 HydrophobicContact CB-CD2 4.44Å; V131-L180 HydrophobicContact CG1-CD2 3.81Å; V131-M183 HydrophobicContact CG1-CE 3.88Å; V131-M183 HydrophobicContact CG1-SD 4.03Å
132	L	97.8	Very high	96.2	Very high	62 Å²	62	50.9 Å²	50.9	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-65	-11.6	179.6	-60.6	-176	0	0	0	114.8	V128 K130 W175 E179 L180 M183	V128-L132 HydrophobicContact CG1-CD1 4.16Å; V128-L132 HydrophobicContact CG1-CG 4.23Å; V128-L132 WeakPolarHBondContact O-CG 3.48Å; V128-L132 PolarHBondContact O-N 2.79Å; K130-L132 PolarHBondContact O-N 3.06Å; L132-W175 HydrophobicContact CD1-CH2 4.11Å; L132-W175 HydrophobicContact CD1-CZ3 3.94Å; L132-E179 HydrophobicContact CD1-CB 3.64Å; L132-E179 HydrophobicContact CD1-CG 3.99Å; L132-E179 HydrophobicContact CD2-CB 3.49Å; L132-E179 VanDerWaalsContact CD2-CB 3.49Å; L132-E179 HydrophobicContact CG-CB 4.21Å; L132-L180 HydrophobicContact CD2-CD2 4.23Å; L132-M183 HydrophobicContact CD2-SD 3.62Å
133	R	97.1	Very high	96.2	Very high	165 Å²	165	44.3 Å²	44.3	62%	0.623	21%	0.212	S	C	*	.	H	α-helix	trans	-106.2	-43.1	-175.8	-168.5	-170.2	71.3	-146.1	-4.4	113.1	Y73 R129 K130 V131	Y73-R133 PolarHBondContact OH-NH2 3.12Å; R129-R133 WeakPolarHBondContact O-CB 3.39Å; K130-R133 PolarHBondContact O-N 3.46Å; K130-R133 VanDerWaalsContact O-N 3.1Å; V131-R133 PolarHBondContact O-N 2.71Å
134	D	95.6	Very high	96.2	Very high	66 Å²	66	41 Å²	41	35%	0.353	20%	0.199	S	C	.	.	H	α-helix	trans	-112.4	-16.2	-166.7	-65.1	-1.7	0	0	0	113.9	Y73 K130 N136	Y73-D134 PolarHBondContact OH-OD2 3.35Å; K130-D134 PolarHBondContact O-N 3.21Å; D134-N136 PolarHBondContact O-N 2.99Å
135	V	96.1	Very high	96.2	Very high	20 Å²	20	41 Å²	41	12%	0.121	20%	0.199	C	C	.	.			trans	-82.7	118	-176.3	172.6	0	0	0	0	111	F104 I109 V131 L137 M183	F104-V135 HydrophobicContact CB-CG1 3.92Å; F104-V135 WeakPolarHBondContact O-CG2 3.46Å; I109-V135 HydrophobicContact CD1-CG1 3.99Å; I109-V135 HydrophobicContact CD1-CG2 4.27Å; V131-V135 HydrophobicContact CB-CG2 4.31Å; V131-V135 HydrophobicContact CG1-CB 4.4Å; V131-V135 HydrophobicContact CG1-CG2 4.11Å; V131-V135 HydrophobicContact CG2-CG2 4.44Å; V131-V135 VanDerWaalsContact O-CB 3.29Å; V131-V135 WeakPolarHBondContact O-CB 3.46Å; V131-V135 PolarHBondContact O-N 2.88Å; V135-L137 HydrophobicContact CG1-CD2 4.05Å; V135-L137 HydrophobicContact CG1-CG 4.38Å; V135-M183 HydrophobicContact CB-CE 3.89Å; V135-M183 HydrophobicContact CG1-CE 3.66Å
136	N	93.8	Very high	96.3	Very high	72 Å²	72	41.1 Å²	41.1	39%	0.385	20%	0.199	S	C	.	.			trans	-102.6	129.9	170.1	-176.7	28.6	0	0	0	111.3	D134 D138 N139	D134-N136 PolarHBondContact O-N 2.99Å; N136-D138 PolarHBondContact OD1-N 2.93Å; N136-N139 PolarHBondContact ND2-OD1 2.97Å; N136-N139 PolarHBondContact O-ND2 3.38Å
137	L	94.8	Very high	96.3	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.047	19%	0.189	C	C	.	.	S	Bend	trans	-101.5	5.7	174.4	-57.6	175.1	0	0	0	112.6	F104 V135 M183 L187 K190	F104-L137 HydrophobicContact CB-CD2 4.29Å; V135-L137 HydrophobicContact CG1-CD2 4.05Å; V135-L137 HydrophobicContact CG1-CG 4.38Å; L137-M183 HydrophobicContact CD1-CB 4.14Å; L137-M183 HydrophobicContact CD1-CE 4.26Å; L137-L187 HydrophobicContact CD1-CB 4.26Å; L137-K190 HydrophobicContact CB-CD 4.46Å; L137-K190 WeakPolarHBondContact O-CD 3.35Å; L137-K190 WeakPolarHBondContact O-CE 3.4Å; L137-K190 PolarHBondContact O-NZ 3.33Å
138	D	93.6	Very high	96.3	Very high	67 Å²	67	39.4 Å²	39.4	36%	0.358	19%	0.189	S	C	.	.			trans	-112.3	36.4	176.9	-157.1	65.3	0	0	0	113.4	N136 K190 K209	N136-D138 PolarHBondContact OD1-N 2.93Å; D138-K190 IonicContact OD1-NZ 3.82Å; D138-K190 PolarHBondContact OD1-NZ 3Å; D138-K209 VanDerWaalsContact OD2-CE 3.26Å; D138-K209 WeakPolarHBondContact OD2-CE 3.37Å; D138-K209 IonicContact OD2-NZ 3.27Å
139	N	92.4	Very high	96.3	Very high	31 Å²	31	39.4 Å²	39.4	17%	0.166	19%	0.189	C	C	.	.			trans	-75	142.7	174.3	-66.6	-35.1	0	0	0	111	G102 K103 N136 V141 L208 K209	G102-N139 PolarHBondContact O-ND2 3.39Å; K103-N139 PolarHBondContact O-ND2 2.9Å; N136-N139 PolarHBondContact ND2-OD1 2.97Å; N136-N139 PolarHBondContact O-ND2 3.38Å; N139-V141 HydrophobicContact CB-CG2 4.07Å; N139-V141 PolarHBondContact O-N 3.12Å; N139-L208 WeakPolarHBondContact O-CB 3.31Å; N139-K209 WeakPolarHBondContact O-CB 3.27Å; N139-K209 PolarHBondContact O-N 3.24Å
140	D	93.8	Very high	96.3	Very high	70 Å²	70	34.9 Å²	34.9	37%	0.374	17%	0.172	S	C	.	.	S	Bend	trans	-77.9	77.4	166.8	-178.6	18.9	0	0	0	110.1	N207 K209 F210 R218	D140-N207 PolarHBondContact OD1-ND2 3.38Å; D140-K209 HydrophobicContact CB-CD 4.28Å; D140-F210 HydrophobicContact CB-CE2 4.25Å; D140-R218 VanDerWaalsContact CG-NH2 3.31Å; D140-R218 IonicContact OD1-CZ 2.91Å; D140-R218 IonicContact OD1-NH1 3.39Å; D140-R218 PolarHBondContact OD1-NH1 2.9Å; D140-R218 IonicContact OD1-NH2 3.3Å; D140-R218 PolarHBondContact OD1-NH2 2.93Å; D140-R218 IonicContact OD2-CZ 2.66Å; D140-R218 IonicContact OD2-NH1 3.95Å; D140-R218 PolarHBondContact OD2-NH1 2.85Å; D140-R218 IonicContact OD2-NH2 3.67Å; D140-R218 PolarHBondContact OD2-NH2 2.99Å
141	V	93.1	Very high	96.3	Very high	12 Å²	12	33.4 Å²	33.4	7%	0.073	17%	0.165	C	C	.	.			trans	-138.9	137	177.5	-179	0	0	0	0	108.7	K103 N139 V143 N207 L208	K103-V141 HydrophobicContact CD-CG2 4.05Å; K103-V141 HydrophobicContact CG-CG2 4.39Å; N139-V141 HydrophobicContact CB-CG2 4.07Å; N139-V141 PolarHBondContact O-N 3.12Å; V141-V143 HydrophobicContact CG1-CG1 4Å; V141-N207 WeakPolarHBondContact O-CA 3.39Å; V141-L208 PolarHBondContact O-N 3.5Å
142	V	94.5	Very high	96.4	Very high	19 Å²	19	33.4 Å²	33.4	12%	0.115	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123.3	169.4	177.7	0	0	0	0	108.3	R88 R205 I206 N207 A217 R218 T219	R88-V142 PolarHBondContact NH1-O 3.3Å; R88-V142 PolarHBondContact NH2-O 3.27Å; V142-R205 HydrophobicContact CG1-CB 3.83Å; V142-R205 HydrophobicContact CG1-CG 4.21Å; V142-I206 CarbonylContact C-O 3.54Å; V142-I206 WeakPolarHBondContact CA-O 3.34Å; V142-N207 HydrophobicContact CG2-CB 4.25Å; V142-A217 WeakPolarHBondContact CG2-O 3.48Å; V142-R218 HydrophobicContact CG2-CB 4.44Å; V142-T219 HydrophobicContact CG1-CG2 4.03Å; V142-T219 HydrophobicContact CG2-CG2 4.07Å
143	V	96.1	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	157	-178.3	-61.7	0	0	0	0	111	D99 F104 V141 T148 R205 I206 L208	D99-V143 CarbonylContact O-C 3.58Å; D99-V143 VanDerWaalsContact O-CA 3.26Å; D99-V143 WeakPolarHBondContact O-CA 3.11Å; D99-V143 WeakPolarHBondContact O-CB 3.34Å; F104-V143 HydrophobicContact CE1-CG1 4.46Å; V141-V143 HydrophobicContact CG1-CG1 4Å; V143-T148 WeakPolarHBondContact CB-OG1 3.42Å; V143-T148 HydrophobicContact CG2-CG2 4.41Å; V143-T148 WeakPolarHBondContact CG2-OG1 3.5Å; V143-R205 CarbonylContact O-C 3.53Å; V143-R205 VanDerWaalsContact O-CA 3.29Å; V143-R205 WeakPolarHBondContact O-CA 3.49Å; V143-I206 HydrophobicContact CG2-CG2 4.08Å; V143-I206 PolarHBondContact N-O 2.88Å; V143-I206 PolarHBondContact O-N 2.81Å; V143-L208 HydrophobicContact CG1-CD1 3.97Å; V143-L208 HydrophobicContact CG1-CG 4.15Å; V143-L208 HydrophobicContact CG2-CD1 4.34Å; V143-L208 HydrophobicContact CG2-CD2 3.78Å; V143-L208 HydrophobicContact CG2-CG 3.75Å
144	S	97.3	Very high	96.5	Very high	17 Å²	17	22.6 Å²	22.6	12%	0.119	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.3	171.3	169.3	0	0	0	0	109.5	D99 F146 E147 T148 P204	D99-S144 PolarHBondContact O-N 2.86Å; S144-F146 VanDerWaalsContact C-N 3.29Å; S144-F146 PolarHBondContact O-N 2.7Å; S144-F146 PolarHBondContact OG-N 2.9Å; S144-E147 WeakPolarHBondContact OG-CG 3.36Å; S144-E147 PolarHBondContact OG-N 3.02Å; S144-T148 WeakPolarHBondContact O-CB 3.49Å; S144-T148 PolarHBondContact O-N 3.17Å; S144-T148 PolarHBondContact O-OG1 3.3Å; S144-P204 WeakPolarHBondContact CA-O 3.38Å
145	V	98.1	Very high	96.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-37.3	179	175	0	0	0	0	110.8	N149 A194 P202 Y203 P204 I206	V145-N149 VanDerWaalsContact O-CB 3.27Å; V145-N149 WeakPolarHBondContact O-CB 3.46Å; V145-N149 PolarHBondContact O-N 2.66Å; V145-A194 HydrophobicContact CG1-CB 4.31Å; V145-A194 HydrophobicContact CG2-CB 3.69Å; V145-P202 HydrophobicContact CG1-CB 4.28Å; V145-Y203 WeakPolarHBondContact CG2-O 3.5Å; V145-P204 PolarHBondContact N-O 3.25Å; V145-I206 HydrophobicContact CG2-CB 3.93Å; V145-I206 HydrophobicContact CG2-CG2 3.61Å
146	F	98.4	Very high	96.7	Very high	30 Å²	30	18.5 Å²	18.5	13%	0.132	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-55.6	177.3	167.2	-103.3	0	0	0	111.7	S144 T148 N149 I150 A228 C229 T232	S144-F146 VanDerWaalsContact C-N 3.29Å; S144-F146 PolarHBondContact O-N 2.7Å; S144-F146 PolarHBondContact OG-N 2.9Å; F146-T148 VanDerWaalsContact C-N 3.34Å; F146-T148 PolarHBondContact O-N 3.39Å; F146-N149 WeakPolarHBondContact O-CB 3.4Å; F146-N149 PolarHBondContact O-N 3.38Å; F146-N149 VanDerWaalsContact O-N 3.09Å; F146-I150 HydrophobicContact CD1-CD1 4.13Å; F146-I150 HydrophobicContact CD2-CD1 4.47Å; F146-I150 HydrophobicContact CD2-CG2 4.35Å; F146-I150 HydrophobicContact CE1-CD1 3.62Å; F146-I150 HydrophobicContact CE2-CD1 4.01Å; F146-I150 HydrophobicContact CE2-CG2 4.25Å; F146-I150 HydrophobicContact CZ-CD1 3.56Å; F146-I150 PolarHBondContact O-N 3.01Å; F146-A228 HydrophobicContact CE2-CB 4.28Å; F146-C229 HydrophobicContact CB-CB 4.23Å; F146-T232 HydrophobicContact CE2-CG2 3.95Å
147	E	98.2	Very high	97	Very high	40 Å²	40	15.1 Å²	15.1	19%	0.187	8%	0.079	C	C	.	.	H	α-helix	trans	-62.3	-41.9	-179.4	-58.2	-70.3	178.1	0	0	111.3	A100 S144 N149 R151	A100-E147 HydrophobicContact CB-CB 3.86Å; A100-E147 HydrophobicContact CB-CG 4.01Å; S144-E147 WeakPolarHBondContact OG-CG 3.36Å; S144-E147 PolarHBondContact OG-N 3.02Å; E147-N149 VanDerWaalsContact C-N 3.26Å; E147-N149 PolarHBondContact O-N 3.23Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 3.12Å; E147-R151 VanDerWaalsContact O-N 3.12Å; E147-R151 IonicContact OE1-NH2 2.69Å; E147-R151 IonicContact OE2-CZ 2.71Å; E147-R151 IonicContact OE2-NE 3.96Å; E147-R151 PolarHBondContact OE2-NE 3.38Å; E147-R151 IonicContact OE2-NH2 3.31Å; E147-R151 PolarHBondContact OE2-NH2 2.85Å
148	T	98.4	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-66.9	-29.9	177.8	-53.1	0	0	0	0	111.9	V143 S144 F146 V152 L153 L187 L191	V143-T148 WeakPolarHBondContact CB-OG1 3.42Å; V143-T148 HydrophobicContact CG2-CG2 4.41Å; V143-T148 WeakPolarHBondContact CG2-OG1 3.5Å; S144-T148 WeakPolarHBondContact O-CB 3.49Å; S144-T148 PolarHBondContact O-N 3.17Å; S144-T148 PolarHBondContact O-OG1 3.3Å; F146-T148 VanDerWaalsContact C-N 3.34Å; F146-T148 PolarHBondContact O-N 3.39Å; T148-V152 HydrophobicContact CG2-CB 4.33Å; T148-V152 HydrophobicContact CG2-CG2 4.29Å; T148-V152 VanDerWaalsContact O-CB 3.3Å; T148-V152 WeakPolarHBondContact O-CB 3.32Å; T148-V152 PolarHBondContact O-N 3.46Å; T148-L153 PolarHBondContact O-N 3.11Å; T148-L187 HydrophobicContact CG2-CD1 3.8Å; T148-L187 HydrophobicContact CG2-CD2 4.09Å; T148-L187 HydrophobicContact CG2-CG 4.31Å; T148-L191 HydrophobicContact CG2-CD1 4.38Å; T148-L191 HydrophobicContact CG2-CD2 4.02Å
149	N	98.8	Very high	97.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-70.9	-61.5	172.3	177.7	79.2	0	0	0	111.2	V145 F146 E147 R151 L153 G154 L191 T232 L233 E236 F237	V145-N149 VanDerWaalsContact O-CB 3.27Å; V145-N149 WeakPolarHBondContact O-CB 3.46Å; V145-N149 PolarHBondContact O-N 2.66Å; F146-N149 WeakPolarHBondContact O-CB 3.4Å; F146-N149 PolarHBondContact O-N 3.38Å; F146-N149 VanDerWaalsContact O-N 3.09Å; E147-N149 VanDerWaalsContact C-N 3.26Å; E147-N149 PolarHBondContact O-N 3.23Å; N149-R151 PolarHBondContact O-N 2.86Å; N149-L153 WeakPolarHBondContact O-CB 3.24Å; N149-L153 PolarHBondContact O-N 3.15Å; N149-G154 PolarHBondContact O-N 3.13Å; N149-L191 HydrophobicContact CB-CD1 4.44Å; N149-T232 PolarHBondContact ND2-O 2.84Å; N149-L233 HydrophobicContact CB-CD2 3.41Å; N149-L233 VanDerWaalsContact CB-CD2 3.41Å; N149-L233 VanDerWaalsContact CG-CD2 3.43Å; N149-E236 PolarHBondContact ND2-OE2 3.23Å; N149-E236 WeakPolarHBondContact OD1-CB 3.48Å; N149-F237 WeakPolarHBondContact OD1-CD1 3.4Å; N149-F237 WeakPolarHBondContact OD1-CE1 3.32Å
150	I	98.6	Very high	97.6	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.015	5%	0.053	C	C	.	.	I	π-helix	trans	-65.2	-40.1	-167.8	67.4	-170.3	0	0	0	112.2	F146 G154 T232 T492 E493 H495	F146-I150 HydrophobicContact CD1-CD1 4.13Å; F146-I150 HydrophobicContact CD2-CD1 4.47Å; F146-I150 HydrophobicContact CD2-CG2 4.35Å; F146-I150 HydrophobicContact CE1-CD1 3.62Å; F146-I150 HydrophobicContact CE2-CD1 4.01Å; F146-I150 HydrophobicContact CE2-CG2 4.25Å; F146-I150 HydrophobicContact CZ-CD1 3.56Å; F146-I150 PolarHBondContact O-N 3.01Å; I150-G154 WeakPolarHBondContact O-CA 3.19Å; I150-T232 HydrophobicContact CG2-CG2 3.97Å; I150-T492 HydrophobicContact CB-CG2 3.97Å; I150-T492 HydrophobicContact CD1-CG2 3.99Å; I150-T492 HydrophobicContact CG1-CG2 4.49Å; I150-T492 HydrophobicContact CG2-CG2 3.8Å; I150-E493 HydrophobicContact CB-CB 4.43Å; I150-E493 VanDerWaalsContact CD1-OE2 3.24Å; I150-E493 WeakPolarHBondContact CD1-OE2 3.35Å; I150-E493 WeakPolarHBondContact CG1-OE2 3.35Å; I150-H495 PolarHBondContact O-CD2 3.11Å; I150-H495 PolarHBondContact O-NE2 2.66Å
151	R	98.6	Very high	97.8	Very high	18 Å²	18	7 Å²	7	7%	0.068	4%	0.036	C	C	.	.	I	π-helix	trans	-90.1	-48.9	-177.2	-41	-166.3	-165.3	-152.7	-4.3	113.6	L106 E147 N149 G155 S461 E493 H495	L106-R151 HydrophobicContact CD1-CB 3.68Å; L106-R151 HydrophobicContact CD1-CG 4.4Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 3.12Å; E147-R151 VanDerWaalsContact O-N 3.12Å; E147-R151 IonicContact OE1-NH2 2.69Å; E147-R151 IonicContact OE2-CZ 2.71Å; E147-R151 IonicContact OE2-NE 3.96Å; E147-R151 PolarHBondContact OE2-NE 3.38Å; E147-R151 IonicContact OE2-NH2 3.31Å; E147-R151 PolarHBondContact OE2-NH2 2.85Å; N149-R151 PolarHBondContact O-N 2.86Å; R151-G155 WeakPolarHBondContact O-CA 3.36Å; R151-G155 PolarHBondContact O-N 2.94Å; R151-S461 PolarHBondContact NH1-OG 2.84Å; R151-E493 WeakPolarHBondContact CD-OE1 3.26Å; R151-E493 HydrophobicContact CG-CG 3.97Å; R151-E493 VanDerWaalsContact CG-OE1 3.31Å; R151-E493 WeakPolarHBondContact CG-OE1 3.4Å; R151-E493 IonicContact CZ-OE1 3.94Å; R151-E493 VanDerWaalsContact CZ-OE1 3.31Å; R151-E493 IonicContact NE-OE1 3.68Å; R151-E493 PolarHBondContact NE-OE1 2.86Å; R151-E493 VanDerWaalsContact NE-OE1 3.11Å; R151-E493 IonicContact NH1-OE1 2.72Å; R151-H495 PolarHBondContact O-NE2 3.22Å
152	V	98.6	Very high	98	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-86.9	-49.9	-169.8	-164.4	0	0	0	0	111	F104 L106 I109 T148 L156 L187	F104-V152 HydrophobicContact CD2-CG1 4.47Å; F104-V152 HydrophobicContact CD2-CG2 4.11Å; F104-V152 HydrophobicContact CE1-CG2 4.07Å; F104-V152 HydrophobicContact CE2-CG1 4.5Å; F104-V152 HydrophobicContact CE2-CG2 3.38Å; F104-V152 HydrophobicContact CZ-CG2 3.38Å; L106-V152 HydrophobicContact CD1-CG2 4.04Å; I109-V152 HydrophobicContact CD1-CG1 3.84Å; I109-V152 HydrophobicContact CG2-CG1 4.35Å; T148-V152 HydrophobicContact CG2-CB 4.33Å; T148-V152 HydrophobicContact CG2-CG2 4.29Å; T148-V152 VanDerWaalsContact O-CB 3.3Å; T148-V152 WeakPolarHBondContact O-CB 3.32Å; T148-V152 PolarHBondContact O-N 3.46Å; V152-L156 HydrophobicContact CG1-CD1 4.37Å; V152-L156 WeakPolarHBondContact O-CB 3.43Å; V152-L156 WeakPolarHBondContact O-CD1 3.39Å; V152-L156 WeakPolarHBondContact O-CG 3.31Å; V152-L156 PolarHBondContact O-N 3.26Å; V152-L156 VanDerWaalsContact O-N 3.08Å; V152-L187 HydrophobicContact CB-CD2 3.82Å; V152-L187 HydrophobicContact CG1-CD2 3.62Å
153	L	98.8	Very high	98.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	I	π-helix	trans	-69.4	-41.6	173.9	-175.2	61.1	0	0	0	110.5	T148 N149 L157 A184 L187 E236 F237 L240	T148-L153 PolarHBondContact O-N 3.11Å; N149-L153 WeakPolarHBondContact O-CB 3.24Å; N149-L153 PolarHBondContact O-N 3.15Å; L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.46Å; L153-L157 WeakPolarHBondContact O-CG 3.24Å; L153-L157 PolarHBondContact O-N 3.07Å; L153-A184 HydrophobicContact CD1-CB 3.62Å; L153-A184 WeakPolarHBondContact CD1-O 3.14Å; L153-L187 HydrophobicContact CB-CD2 4.12Å; L153-E236 HydrophobicContact CD2-CB 3.95Å; L153-E236 HydrophobicContact CG-CB 4.07Å; L153-F237 HydrophobicContact CD2-CD1 3.69Å; L153-F237 HydrophobicContact CD2-CE1 3.67Å; L153-L240 HydrophobicContact CD1-CD1 4.44Å; L153-L240 HydrophobicContact CD1-CD2 4.18Å; L153-L240 HydrophobicContact CD2-CD2 4.26Å
154	G	98.6	Very high	98.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-55.8	-56.9	172.1	0	0	0	0	0	112.9	N149 I150 L156 L157 G158	N149-G154 PolarHBondContact O-N 3.13Å; I150-G154 WeakPolarHBondContact O-CA 3.19Å; G154-L156 PolarHBondContact O-N 2.95Å; G154-L157 CarbonylContact O-C 3.49Å; G154-L157 PolarHBondContact O-N 3.42Å; G154-G158 PolarHBondContact O-N 3.08Å
155	G	98.5	Very high	98	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.2	-36.4	-179.4	0	0	0	0	0	114.2	R151 G159 H495	R151-G155 WeakPolarHBondContact O-CA 3.36Å; R151-G155 PolarHBondContact O-N 2.94Å; G155-G159 PolarHBondContact O-N 2.8Å; G155-H495 VanDerWaalsContact CA-CE1 3.47Å; G155-H495 WeakPolarHBondContact CA-CE1 3.3Å; G155-H495 PolarHBondContact N-CD2 3.28Å; G155-H495 VanDerWaalsContact N-CD2 3.3Å; G155-H495 PolarHBondContact N-NE2 2.81Å; G155-H495 VanDerWaalsContact N-NE2 3.19Å
156	L	98.8	Very high	97.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.9	-37.4	172	-70.7	172.8	0	0	0	112.3	I109 V131 V152 G154 H160 L180 M183 A184 L187	I109-L156 HydrophobicContact CG2-CD2 4.14Å; I109-L156 HydrophobicContact CG2-CG 3.93Å; V131-L156 HydrophobicContact CG1-CD2 4.12Å; V152-L156 HydrophobicContact CG1-CD1 4.37Å; V152-L156 WeakPolarHBondContact O-CB 3.43Å; V152-L156 WeakPolarHBondContact O-CD1 3.39Å; V152-L156 WeakPolarHBondContact O-CG 3.31Å; V152-L156 PolarHBondContact O-N 3.26Å; V152-L156 VanDerWaalsContact O-N 3.08Å; G154-L156 PolarHBondContact O-N 2.95Å; L156-H160 WeakPolarHBondContact O-CB 3.44Å; L156-H160 PolarHBondContact O-N 3.31Å; L156-L180 HydrophobicContact CD2-CB 4.45Å; L156-L180 HydrophobicContact CD2-CD2 3.7Å; L156-M183 HydrophobicContact CD1-CB 4.09Å; L156-M183 HydrophobicContact CD2-CB 4.41Å; L156-A184 HydrophobicContact CB-CB 4.04Å; L156-A184 HydrophobicContact CD1-CB 4.47Å; L156-L187 HydrophobicContact CD1-CD2 4.42Å
157	L	98.8	Very high	97.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-77.6	-38.6	178.6	-69.7	172.3	0	0	0	113	L153 G154 H160 S161 L181 A184 E236 A239 L240 F243 L497	L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CG 4.23Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.47Å; L153-L157 WeakPolarHBondContact O-CB 3.46Å; L153-L157 WeakPolarHBondContact O-CG 3.24Å; L153-L157 PolarHBondContact O-N 3.07Å; G154-L157 CarbonylContact O-C 3.49Å; G154-L157 PolarHBondContact O-N 3.42Å; L157-H160 PolarHBondContact O-N 2.81Å; L157-S161 WeakPolarHBondContact O-CB 3.35Å; L157-S161 PolarHBondContact O-N 2.96Å; L157-S161 PolarHBondContact O-OG 3.47Å; L157-L181 HydrophobicContact CD2-CD1 4.07Å; L157-A184 HydrophobicContact CD2-CB 3.98Å; L157-A184 HydrophobicContact CG-CB 4.27Å; L157-E236 HydrophobicContact CD1-CB 4.08Å; L157-E236 WeakPolarHBondContact CD1-O 3.23Å; L157-A239 HydrophobicContact CD1-CB 4.2Å; L157-L240 HydrophobicContact CD1-CB 4.22Å; L157-L240 HydrophobicContact CD2-CB 4.49Å; L157-L240 HydrophobicContact CD2-CD1 4.09Å; L157-F243 HydrophobicContact CD2-CD2 3.99Å; L157-F243 HydrophobicContact CD2-CE2 4.43Å; L157-L497 HydrophobicContact CB-CD2 3.95Å
158	G	98.1	Very high	97.4	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.1	-47.9	172.1	0	0	0	0	0	111.2	G154 H160 S161 L162	G154-G158 PolarHBondContact O-N 3.08Å; G158-H160 VanDerWaalsContact C-N 3.34Å; G158-H160 PolarHBondContact O-N 3.15Å; G158-S161 WeakPolarHBondContact O-CB 3.3Å; G158-S161 PolarHBondContact O-N 2.99Å; G158-S161 VanDerWaalsContact O-N 3.15Å; G158-L162 PolarHBondContact O-N 3.44Å
159	G	98.1	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.1	-43.3	172.1	0	0	0	0	0	112.7	F124 G155 A163	F124-G159 WeakPolarHBondContact CZ-O 3.23Å; G155-G159 PolarHBondContact O-N 2.8Å; G159-A163 VanDerWaalsContact O-CB 3.22Å; G159-A163 WeakPolarHBondContact O-CB 3.46Å; G159-A163 PolarHBondContact O-N 2.67Å
160	H	98.5	Very high	96.4	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-45.1	173.4	172.6	39.5	0	0	0	112.8	L156 L157 G158 L162 A163 I164 Y176 D178 L180 F243	L156-H160 WeakPolarHBondContact O-CB 3.44Å; L156-H160 PolarHBondContact O-N 3.31Å; L157-H160 PolarHBondContact O-N 2.81Å; G158-H160 VanDerWaalsContact C-N 3.34Å; G158-H160 PolarHBondContact O-N 3.15Å; H160-L162 PolarHBondContact O-N 3Å; H160-A163 WeakPolarHBondContact O-CB 3.22Å; H160-A163 PolarHBondContact O-N 2.91Å; H160-I164 WeakPolarHBondContact CE1-CD1 3.46Å; H160-I164 PolarHBondContact O-N 2.91Å; H160-Y176 AromaticContact ND1-CE1 3.62Å; H160-Y176 AromaticContact ND1-CZ 3.76Å; H160-Y176 PolarHBondContact ND1-OH 3.14Å; H160-D178 IonicContact CE1-OD1 2.74Å; H160-D178 PolarHBondContact CE1-OD1 3.08Å; H160-D178 VanDerWaalsContact CE1-OD1 3.31Å; H160-D178 IonicContact ND1-OD1 3.17Å; H160-L180 HydrophobicContact CB-CB 4.21Å; H160-F243 AromaticContact CD2-CD1 3.97Å; H160-F243 AromaticContact NE2-CD1 3.67Å
161	S	97.1	Very high	95.6	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.028	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-45.5	-178.9	-60	0	0	0	0	111.5	L157 G158 I164 M165 F243 P498	L157-S161 WeakPolarHBondContact O-CB 3.35Å; L157-S161 PolarHBondContact O-N 2.96Å; L157-S161 PolarHBondContact O-OG 3.47Å; G158-S161 WeakPolarHBondContact O-CB 3.3Å; G158-S161 PolarHBondContact O-N 2.99Å; G158-S161 VanDerWaalsContact O-N 3.15Å; S161-I164 PolarHBondContact O-N 3.01Å; S161-M165 PolarHBondContact O-N 3.05Å; S161-M165 VanDerWaalsContact O-N 3.14Å; S161-F243 VanDerWaalsContact OG-CZ 3.31Å; S161-F243 WeakPolarHBondContact OG-CZ 3.31Å; S161-P498 VanDerWaalsContact OG-CD 3.3Å; S161-P498 WeakPolarHBondContact OG-CD 3.42Å
162	L	96.8	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-76.3	-26.1	177.8	-58.2	-168	0	0	0	112.8	D113 V116 G158 H160 M165 L166 F483 Y488 L496	D113-L162 HydrophobicContact CB-CD1 3.66Å; D113-L162 HydrophobicContact CB-CG 4.4Å; V116-L162 HydrophobicContact CB-CB 4.32Å; V116-L162 HydrophobicContact CB-CD1 3.64Å; V116-L162 HydrophobicContact CG1-CB 4.2Å; V116-L162 HydrophobicContact CG1-CD1 3.91Å; V116-L162 HydrophobicContact CG2-CB 4.1Å; V116-L162 HydrophobicContact CG2-CD1 4.15Å; G158-L162 PolarHBondContact O-N 3.44Å; H160-L162 PolarHBondContact O-N 3Å; L162-M165 HydrophobicContact CB-CE 4.37Å; L162-M165 HydrophobicContact CD2-CE 4Å; L162-M165 PolarHBondContact O-N 3.1Å; L162-L166 WeakPolarHBondContact O-CB 3.38Å; L162-L166 WeakPolarHBondContact O-CG 3.43Å; L162-L166 PolarHBondContact O-N 3.39Å; L162-F483 HydrophobicContact CD1-CE1 4.29Å; L162-F483 HydrophobicContact CD1-CZ 3.95Å; L162-F483 HydrophobicContact CD2-CE1 4.38Å; L162-F483 HydrophobicContact CD2-CE2 3.99Å; L162-F483 HydrophobicContact CD2-CZ 3.88Å; L162-Y488 HydrophobicContact CD2-CD1 4.47Å; L162-Y488 HydrophobicContact CD2-CE1 3.66Å; L162-L496 HydrophobicContact CD1-CD1 4.07Å
163	A	97.3	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-41.4	169.2	0	0	0	0	0	112.2	F124 G159 H160 K167 M173 Y176	F124-A163 HydrophobicContact CE1-CB 4.32Å; F124-A163 HydrophobicContact CZ-CB 4.13Å; G159-A163 VanDerWaalsContact O-CB 3.22Å; G159-A163 WeakPolarHBondContact O-CB 3.46Å; G159-A163 PolarHBondContact O-N 2.67Å; H160-A163 WeakPolarHBondContact O-CB 3.22Å; H160-A163 PolarHBondContact O-N 2.91Å; A163-K167 VanDerWaalsContact O-CB 3.23Å; A163-K167 WeakPolarHBondContact O-CB 3.43Å; A163-K167 PolarHBondContact O-N 2.87Å; A163-M173 HydrophobicContact CB-CE 3.6Å; A163-M173 HydrophobicContact CB-CG 4.46Å; A163-Y176 HydrophobicContact CB-CD1 3.82Å; A163-Y176 HydrophobicContact CB-CD2 4.25Å; A163-Y176 HydrophobicContact CB-CE1 3.81Å; A163-Y176 HydrophobicContact CB-CE2 4.23Å; A163-Y176 HydrophobicContact CB-CG 4.06Å
164	I	95.7	Very high	94.9	Very high	38 Å²	38	34.6 Å²	34.6	20%	0.195	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-53.2	171.3	-66.9	163.7	0	0	0	109.9	H160 S161 L166 K167 E168 F243	H160-I164 WeakPolarHBondContact CE1-CD1 3.46Å; H160-I164 PolarHBondContact O-N 2.91Å; S161-I164 PolarHBondContact O-N 3.01Å; I164-L166 VanDerWaalsContact C-N 3.33Å; I164-L166 PolarHBondContact O-N 3.05Å; I164-K167 CarbonylContact O-C 3.6Å; I164-K167 WeakPolarHBondContact O-CA 3.17Å; I164-K167 WeakPolarHBondContact O-CB 3.46Å; I164-K167 PolarHBondContact O-N 2.79Å; I164-E168 HydrophobicContact CG2-CG 4.09Å; I164-E168 WeakPolarHBondContact O-CG 3.43Å; I164-E168 PolarHBondContact O-N 3.32Å; I164-F243 HydrophobicContact CD1-CE1 4.19Å
165	M	94.9	Very high	94.8	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.069	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-41.2	-176.6	178	-79.5	-65.7	0	0	112.9	V116 S161 L162 K169 F483	V116-M165 HydrophobicContact CG1-CE 3.9Å; S161-M165 PolarHBondContact O-N 3.05Å; S161-M165 VanDerWaalsContact O-N 3.14Å; L162-M165 HydrophobicContact CB-CE 4.37Å; L162-M165 HydrophobicContact CD2-CE 4Å; L162-M165 PolarHBondContact O-N 3.1Å; M165-K169 WeakPolarHBondContact O-CG 3.33Å; M165-K169 PolarHBondContact O-N 3.2Å; M165-K169 HydrophobicContact SD-CD 3.82Å; M165-K169 PolarHBondContact SD-NZ 2.93Å; M165-F483 HydrophobicContact CE-CB 4.1Å; M165-F483 HydrophobicContact CE-CD1 3.54Å; M165-F483 HydrophobicContact CE-CE1 4.06Å; M165-F483 HydrophobicContact CE-CG 3.86Å; M165-F483 HydrophobicContact SD-CB 4.03Å; M165-F483 HydrophobicContact SD-CG 4.45Å
166	L	95.4	Very high	94.8	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-35.5	174.5	-72.9	174.9	0	0	0	112.6	V116 T121 F124 L162 I164 G170 H172 M173 I482	V116-L166 HydrophobicContact CG1-CD1 4Å; V116-L166 HydrophobicContact CG1-CD2 4.38Å; V116-L166 HydrophobicContact CG1-CG 4.29Å; V116-L166 HydrophobicContact CG2-CD1 4.02Å; T121-L166 HydrophobicContact CG2-CD1 4.42Å; T121-L166 HydrophobicContact CG2-CD2 3.97Å; F124-L166 HydrophobicContact CD1-CD1 3.64Å; F124-L166 HydrophobicContact CE1-CD1 3.71Å; L162-L166 WeakPolarHBondContact O-CB 3.38Å; L162-L166 WeakPolarHBondContact O-CG 3.43Å; L162-L166 PolarHBondContact O-N 3.39Å; I164-L166 VanDerWaalsContact C-N 3.33Å; I164-L166 PolarHBondContact O-N 3.05Å; L166-G170 PolarHBondContact O-N 3.45Å; L166-H172 HydrophobicContact CB-CB 4.18Å; L166-H172 HydrophobicContact CD1-CB 4.49Å; L166-M173 HydrophobicContact CB-CB 4.32Å; L166-M173 HydrophobicContact CB-CG 3.96Å; L166-M173 HydrophobicContact CD1-CG 4.12Å; L166-I482 HydrophobicContact CD2-CD1 3.87Å
167	K	95.3	Very high	94.6	Very high	71 Å²	71	43.7 Å²	43.7	31%	0.309	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-41.9	176.8	-176.6	178.6	175.9	-175.4	0	111.8	A163 I164 K169 G170 M173 Q174 Y176	A163-K167 VanDerWaalsContact O-CB 3.23Å; A163-K167 WeakPolarHBondContact O-CB 3.43Å; A163-K167 PolarHBondContact O-N 2.87Å; I164-K167 CarbonylContact O-C 3.6Å; I164-K167 WeakPolarHBondContact O-CA 3.17Å; I164-K167 WeakPolarHBondContact O-CB 3.46Å; I164-K167 PolarHBondContact O-N 2.79Å; K167-K169 VanDerWaalsContact C-N 3.32Å; K167-K169 PolarHBondContact O-N 3.29Å; K167-G170 PolarHBondContact O-N 2.95Å; K167-G170 VanDerWaalsContact O-N 3.1Å; K167-M173 HydrophobicContact CB-CB 4.27Å; K167-Q174 PolarHBondContact O-NE2 3.49Å; K167-Y176 WeakPolarHBondContact CE-O 3.37Å; K167-Y176 PolarHBondContact NZ-O 2.78Å
168	E	92.6	Very high	94.6	Very high	161 Å²	161	46.3 Å²	46.3	75%	0.752	23%	0.229	S	C	*	.	H	α-helix	trans	-65.2	-32.5	177.2	-72.2	-176.3	156.9	0	0	113	I164 G170	I164-E168 HydrophobicContact CG2-CG 4.09Å; I164-E168 WeakPolarHBondContact O-CG 3.43Å; I164-E168 PolarHBondContact O-N 3.32Å; E168-G170 PolarHBondContact O-N 3.15Å
169	K	90.4	Very high	94.6	Very high	95 Å²	95	48.8 Å²	48.8	41%	0.413	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.6	172.5	-74.4	174.5	-178.6	168.2	0	113.9	M165 K167 E171 I482	M165-K169 WeakPolarHBondContact O-CG 3.33Å; M165-K169 PolarHBondContact O-N 3.2Å; M165-K169 HydrophobicContact SD-CD 3.82Å; M165-K169 PolarHBondContact SD-NZ 2.93Å; K167-K169 VanDerWaalsContact C-N 3.32Å; K167-K169 PolarHBondContact O-N 3.29Å; K169-E171 VanDerWaalsContact C-N 3.31Å; K169-E171 PolarHBondContact O-N 3.06Å; K169-I482 PolarHBondContact NZ-O 3.44Å
170	G	85.8	Confident	94.6	Very high	45 Å²	45	48.8 Å²	48.8	46%	0.464	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-0.2	175.9	0	0	0	0	0	115.6	L166 K167 E168	L166-G170 PolarHBondContact O-N 3.45Å; K167-G170 PolarHBondContact O-N 2.95Å; K167-G170 VanDerWaalsContact O-N 3.1Å; E168-G170 PolarHBondContact O-N 3.15Å
171	E	80.3	Confident	94.6	Very high	153 Å²	153	49.3 Å²	49.3	72%	0.715	24%	0.243	S	C	*	.	S	Bend	trans	-91.9	-37.8	-173.4	-60.4	-171.1	145.7	0	0	113.3	K169	K169-E171 VanDerWaalsContact C-N 3.31Å; K169-E171 PolarHBondContact O-N 3.06Å
172	H	91.8	Very high	94.7	Very high	35 Å²	35	54.1 Å²	54.1	16%	0.162	27%	0.265	C	S	.	.	S	Bend	trans	-135.9	174.7	-174.4	-87.2	-78.4	0	0	0	111.3	T121 E125 L166 Q174	T121-H172 PolarHBondContact OG1-CD2 3.5Å; T121-H172 PolarHBondContact OG1-CE1 3.1Å; T121-H172 PolarHBondContact OG1-NE2 2.94Å; E125-H172 IonicContact OE2-CE1 2.73Å; E125-H172 IonicContact OE2-CG 2.69Å; E125-H172 IonicContact OE2-ND1 3.41Å; E125-H172 PolarHBondContact OE2-ND1 3.02Å; L166-H172 HydrophobicContact CB-CB 4.18Å; L166-H172 HydrophobicContact CD1-CB 4.49Å; H172-Q174 PolarHBondContact O-N 3.38Å; H172-Q174 PolarHBondContact O-NE2 2.89Å
173	M	95.8	Very high	94.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.27	C	S	.	.			trans	55.5	19.9	171.9	-58.4	-59.4	-76.9	0	0	115.6	F124 E125 V128 A163 L166 K167 W175 Y176	F124-M173 HydrophobicContact CD1-CG 4.32Å; F124-M173 HydrophobicContact CD1-SD 3.96Å; F124-M173 HydrophobicContact CE1-CE 3.73Å; F124-M173 HydrophobicContact CE1-CG 3.86Å; F124-M173 HydrophobicContact CE1-SD 3.68Å; F124-M173 HydrophobicContact CZ-CE 4.21Å; E125-M173 HydrophobicContact CB-SD 3.81Å; E125-M173 HydrophobicContact CG-SD 3.64Å; E125-M173 PolarHBondContact OE2-N 3.32Å; V128-M173 HydrophobicContact CB-CE 4.22Å; V128-M173 HydrophobicContact CG1-CE 4.16Å; V128-M173 HydrophobicContact CG2-CE 3.95Å; A163-M173 HydrophobicContact CB-CE 3.6Å; A163-M173 HydrophobicContact CB-CG 4.46Å; L166-M173 HydrophobicContact CB-CB 4.32Å; L166-M173 HydrophobicContact CB-CG 3.96Å; L166-M173 HydrophobicContact CD1-CG 4.12Å; K167-M173 HydrophobicContact CB-CB 4.27Å; M173-W175 HydrophobicContact CE-CZ2 4.24Å; M173-W175 PolarHBondContact O-N 3.23Å; M173-W175 VanDerWaalsContact O-N 3.09Å; M173-W175 HydrophobicContact SD-CZ2 4.33Å; M173-Y176 HydrophobicContact CE-CD2 3.78Å; M173-Y176 HydrophobicContact CE-CG 3.97Å; M173-Y176 VanDerWaalsContact O-CB 3.22Å; M173-Y176 WeakPolarHBondContact O-CB 3.2Å; M173-Y176 PolarHBondContact O-N 2.69Å
174	Q	95.1	Very high	94.8	Very high	105 Å²	105	55.1 Å²	55.1	49%	0.491	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-174.3	-64.2	-58.3	-67.4	0	0	114.1	K167 H172	K167-Q174 PolarHBondContact O-NE2 3.49Å; H172-Q174 PolarHBondContact O-N 3.38Å; H172-Q174 PolarHBondContact O-NE2 2.89Å
175	W	96.2	Very high	95	Very high	89 Å²	89	56.3 Å²	56.3	34%	0.337	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-18.6	175.6	59.6	-92.1	0	0	0	113.8	E125 V128 R129 L132 M173	E125-W175 HydrophobicContact CG-CZ2 4.03Å; E125-W175 PolarHBondContact OE1-NE1 2.79Å; V128-W175 HydrophobicContact CB-CH2 4.47Å; V128-W175 HydrophobicContact CG1-CH2 3.91Å; R129-W175 HydrophobicContact CG-CH2 3.99Å; R129-W175 HydrophobicContact CG-CZ2 3.84Å; L132-W175 HydrophobicContact CD1-CH2 4.11Å; L132-W175 HydrophobicContact CD1-CZ3 3.94Å; M173-W175 HydrophobicContact CE-CZ2 4.24Å; M173-W175 PolarHBondContact O-N 3.23Å; M173-W175 VanDerWaalsContact O-N 3.09Å; M173-W175 HydrophobicContact SD-CZ2 4.33Å
176	Y	97.6	Very high	95.1	Very high	1 Å²	1	61.1 Å²	61.1	0%	0.004	30%	0.296	C	S	.	.			trans	-66.3	132.2	-171.6	179	-97	0	0	0	111.2	V128 H160 A163 K167 M173 D178 E179 L180	V128-Y176 HydrophobicContact CG1-CD2 4.41Å; V128-Y176 HydrophobicContact CG1-CE2 4.42Å; H160-Y176 AromaticContact ND1-CE1 3.62Å; H160-Y176 AromaticContact ND1-CZ 3.76Å; H160-Y176 PolarHBondContact ND1-OH 3.14Å; A163-Y176 HydrophobicContact CB-CD1 3.82Å; A163-Y176 HydrophobicContact CB-CD2 4.25Å; A163-Y176 HydrophobicContact CB-CE1 3.81Å; A163-Y176 HydrophobicContact CB-CE2 4.23Å; A163-Y176 HydrophobicContact CB-CG 4.06Å; K167-Y176 WeakPolarHBondContact CE-O 3.37Å; K167-Y176 PolarHBondContact NZ-O 2.78Å; M173-Y176 HydrophobicContact CE-CD2 3.78Å; M173-Y176 HydrophobicContact CE-CG 3.97Å; M173-Y176 VanDerWaalsContact O-CB 3.22Å; M173-Y176 WeakPolarHBondContact O-CB 3.2Å; M173-Y176 PolarHBondContact O-N 2.69Å; Y176-D178 VanDerWaalsContact CE1-N 3.33Å; Y176-D178 WeakPolarHBondContact OH-CA 3.41Å; Y176-E179 WeakPolarHBondContact CD2-OE2 3.38Å; Y176-E179 VanDerWaalsContact CE2-OE2 3.28Å; Y176-E179 WeakPolarHBondContact CE2-OE2 3.36Å; Y176-L180 HydrophobicContact CE2-CB 4.33Å; Y176-L180 HydrophobicContact CE2-CD1 4.2Å; Y176-L180 HydrophobicContact CE2-CG 3.99Å; Y176-L180 WeakPolarHBondContact OH-CB 3.25Å; Y176-L180 PolarHBondContact OH-N 2.94Å
177	N	96.3	Very high	95.2	Very high	100 Å²	100	61 Å²	61	54%	0.535	30%	0.295	S	S	.	.			trans	-138.1	60.4	-178.7	-163.7	97.4	0	0	0	110.7	E179	N177-E179 VanDerWaalsContact C-N 3.26Å; N177-E179 VanDerWaalsContact C-OE2 3.24Å; N177-E179 VanDerWaalsContact N-CD 3.29Å; N177-E179 PolarHBondContact N-OE1 3.41Å; N177-E179 PolarHBondContact N-OE2 3.38Å; N177-E179 PolarHBondContact O-N 3.3Å
178	D	97.8	Very high	95.4	Very high	56 Å²	56	57.6 Å²	57.6	30%	0.299	28%	0.28	S	S	.	.	S	Bend	trans	63.3	23.9	169.2	-51.3	-35	0	0	0	115.1	H160 Y176 L180 L181 H182	H160-D178 IonicContact CE1-OD1 2.74Å; H160-D178 PolarHBondContact CE1-OD1 3.08Å; H160-D178 VanDerWaalsContact CE1-OD1 3.31Å; H160-D178 IonicContact ND1-OD1 3.17Å; Y176-D178 VanDerWaalsContact CE1-N 3.33Å; Y176-D178 WeakPolarHBondContact OH-CA 3.41Å; D178-L180 PolarHBondContact O-N 3.35Å; D178-L181 HydrophobicContact CB-CB 4.25Å; D178-L181 WeakPolarHBondContact O-CB 3.49Å; D178-L181 PolarHBondContact O-N 3.36Å; D178-L181 VanDerWaalsContact O-N 3.08Å; D178-H182 PolarHBondContact O-N 2.82Å
179	E	97.9	Very high	95.6	Very high	52 Å²	52	55.3 Å²	55.3	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-37	-175.9	-57.9	89.3	164.8	0	0	112.8	L132 Y176 N177 L181 H182 M183	L132-E179 HydrophobicContact CD1-CB 3.64Å; L132-E179 HydrophobicContact CD1-CG 3.99Å; L132-E179 HydrophobicContact CD2-CB 3.49Å; L132-E179 VanDerWaalsContact CD2-CB 3.49Å; L132-E179 HydrophobicContact CG-CB 4.21Å; Y176-E179 WeakPolarHBondContact CD2-OE2 3.38Å; Y176-E179 VanDerWaalsContact CE2-OE2 3.28Å; Y176-E179 WeakPolarHBondContact CE2-OE2 3.36Å; N177-E179 VanDerWaalsContact C-N 3.26Å; N177-E179 VanDerWaalsContact C-OE2 3.24Å; N177-E179 VanDerWaalsContact N-CD 3.29Å; N177-E179 PolarHBondContact N-OE1 3.41Å; N177-E179 PolarHBondContact N-OE2 3.38Å; N177-E179 PolarHBondContact O-N 3.3Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.48Å; E179-H182 PolarHBondContact O-N 3.06Å; E179-M183 PolarHBondContact O-N 2.87Å
180	L	98.6	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.1	-34.2	173.4	-62.5	171.6	0	0	0	111.3	L112 V128 V131 L132 L156 H160 Y176 D178 H182 M183 A184	L112-L180 HydrophobicContact CD1-CD1 4.36Å; L112-L180 HydrophobicContact CD1-CD2 4.39Å; V128-L180 HydrophobicContact CG1-CD1 3.98Å; V128-L180 HydrophobicContact CG1-CD2 4.13Å; V128-L180 HydrophobicContact CG1-CG 4.01Å; V128-L180 HydrophobicContact CG2-CD1 4.02Å; V131-L180 HydrophobicContact CB-CD2 4.44Å; V131-L180 HydrophobicContact CG1-CD2 3.81Å; L132-L180 HydrophobicContact CD2-CD2 4.23Å; L156-L180 HydrophobicContact CD2-CB 4.45Å; L156-L180 HydrophobicContact CD2-CD2 3.7Å; H160-L180 HydrophobicContact CB-CB 4.21Å; Y176-L180 HydrophobicContact CE2-CB 4.33Å; Y176-L180 HydrophobicContact CE2-CD1 4.2Å; Y176-L180 HydrophobicContact CE2-CG 3.99Å; Y176-L180 WeakPolarHBondContact OH-CB 3.25Å; Y176-L180 PolarHBondContact OH-N 2.94Å; D178-L180 PolarHBondContact O-N 3.35Å; L180-H182 VanDerWaalsContact C-N 3.33Å; L180-M183 PolarHBondContact O-N 3.18Å; L180-A184 VanDerWaalsContact O-CB 3.31Å; L180-A184 WeakPolarHBondContact O-CB 3.21Å; L180-A184 PolarHBondContact O-N 2.89Å
181	L	98.6	Very high	96.5	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-36.5	174.4	-177.5	64.1	0	0	0	111.3	L157 D178 E179 A184 K185 L240 F243 T244	L157-L181 HydrophobicContact CD2-CD1 4.07Å; D178-L181 HydrophobicContact CB-CB 4.25Å; D178-L181 WeakPolarHBondContact O-CB 3.49Å; D178-L181 PolarHBondContact O-N 3.36Å; D178-L181 VanDerWaalsContact O-N 3.08Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.48Å; L181-A184 PolarHBondContact O-N 2.92Å; L181-K185 VanDerWaalsContact O-CB 3.28Å; L181-K185 WeakPolarHBondContact O-CB 3.37Å; L181-K185 PolarHBondContact O-N 2.91Å; L181-L240 HydrophobicContact CD1-CD1 4.14Å; L181-F243 HydrophobicContact CD1-CB 3.54Å; L181-F243 HydrophobicContact CD1-CG 4.25Å; L181-F243 HydrophobicContact CD2-CB 3.98Å; L181-F243 HydrophobicContact CG-CB 4.42Å; L181-T244 HydrophobicContact CD1-CG2 3.66Å; L181-T244 HydrophobicContact CD2-CG2 4.29Å; L181-T244 HydrophobicContact CG-CG2 3.99Å
182	H	98.3	Very high	97.3	Very high	104 Å²	104	44.4 Å²	44.4	48%	0.481	20%	0.204	S	C	.	.	H	α-helix	trans	-64.2	-41.5	173.9	-67.2	-8.9	0	0	0	111.7	D178 E179 L180 K185 Q186	D178-H182 PolarHBondContact O-N 2.82Å; E179-H182 PolarHBondContact O-N 3.06Å; L180-H182 VanDerWaalsContact C-N 3.33Å; H182-K185 PolarHBondContact O-N 3.48Å; H182-Q186 WeakPolarHBondContact O-CG 3.2Å; H182-Q186 PolarHBondContact O-N 2.86Å
183	M	98.4	Very high	97.5	Very high	21 Å²	21	45.1 Å²	45.1	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-45.9	172.4	-68.1	178.1	71.9	0	0	112.3	V131 L132 V135 L137 L156 E179 L180 K185 Q186 L187	V131-M183 HydrophobicContact CG1-CE 3.88Å; V131-M183 HydrophobicContact CG1-SD 4.03Å; L132-M183 HydrophobicContact CD2-SD 3.62Å; V135-M183 HydrophobicContact CB-CE 3.89Å; V135-M183 HydrophobicContact CG1-CE 3.66Å; L137-M183 HydrophobicContact CD1-CB 4.14Å; L137-M183 HydrophobicContact CD1-CE 4.26Å; L156-M183 HydrophobicContact CD1-CB 4.09Å; L156-M183 HydrophobicContact CD2-CB 4.41Å; E179-M183 PolarHBondContact O-N 2.87Å; L180-M183 PolarHBondContact O-N 3.18Å; M183-K185 VanDerWaalsContact C-N 3.28Å; M183-K185 PolarHBondContact O-N 3.44Å; M183-Q186 WeakPolarHBondContact O-CB 3.4Å; M183-Q186 PolarHBondContact O-N 2.96Å; M183-Q186 VanDerWaalsContact O-N 3.15Å; M183-L187 PolarHBondContact O-N 3.25Å
184	A	98.6	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.7	-42	175.3	0	0	0	0	0	111.8	L153 L156 L157 L180 L181 L187 G188 L240	L153-A184 HydrophobicContact CD1-CB 3.62Å; L153-A184 WeakPolarHBondContact CD1-O 3.14Å; L156-A184 HydrophobicContact CB-CB 4.04Å; L156-A184 HydrophobicContact CD1-CB 4.47Å; L157-A184 HydrophobicContact CD2-CB 3.98Å; L157-A184 HydrophobicContact CG-CB 4.27Å; L180-A184 VanDerWaalsContact O-CB 3.31Å; L180-A184 WeakPolarHBondContact O-CB 3.21Å; L180-A184 PolarHBondContact O-N 2.89Å; L181-A184 PolarHBondContact O-N 2.92Å; A184-L187 PolarHBondContact O-N 2.71Å; A184-G188 PolarHBondContact O-N 3.15Å; A184-L240 HydrophobicContact CB-CD1 3.92Å
185	K	98.6	Very high	97.7	Very high	63 Å²	63	40.3 Å²	40.3	27%	0.274	19%	0.189	S	C	.	.	H	α-helix	trans	-65.7	-40.9	176.2	-169.3	172.1	-170.8	165	0	112.5	L181 H182 M183 Y189 L240 T244	L181-K185 VanDerWaalsContact O-CB 3.28Å; L181-K185 WeakPolarHBondContact O-CB 3.37Å; L181-K185 PolarHBondContact O-N 2.91Å; H182-K185 PolarHBondContact O-N 3.48Å; M183-K185 VanDerWaalsContact C-N 3.28Å; M183-K185 PolarHBondContact O-N 3.44Å; K185-Y189 HydrophobicContact CD-CE2 4.32Å; K185-Y189 HydrophobicContact CG-CD2 4.11Å; K185-Y189 HydrophobicContact CG-CE2 3.73Å; K185-Y189 WeakPolarHBondContact O-CD2 3.44Å; K185-Y189 PolarHBondContact O-N 3.39Å; K185-L240 HydrophobicContact CB-CD1 4.33Å; K185-T244 HydrophobicContact CB-CG2 4.04Å; K185-T244 HydrophobicContact CD-CG2 3.76Å; K185-T244 HydrophobicContact CG-CG2 4.03Å
186	Q	97.8	Very high	97.6	Very high	116 Å²	116	39.9 Å²	39.9	54%	0.542	19%	0.193	S	C	.	.	H	α-helix	trans	-62.9	-42.9	173.6	-72.7	172.7	-3.6	0	0	111.6	H182 M183 Y189 K190	H182-Q186 WeakPolarHBondContact O-CG 3.2Å; H182-Q186 PolarHBondContact O-N 2.86Å; M183-Q186 WeakPolarHBondContact O-CB 3.4Å; M183-Q186 PolarHBondContact O-N 2.96Å; M183-Q186 VanDerWaalsContact O-N 3.15Å; Q186-Y189 PolarHBondContact O-N 3.39Å; Q186-K190 WeakPolarHBondContact O-CG 3.31Å; Q186-K190 PolarHBondContact O-N 2.96Å; Q186-K190 VanDerWaalsContact O-N 3.11Å
187	L	98.2	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.6	-46	177.3	-173.1	57.3	0	0	0	111.9	L137 T148 V152 L153 L156 M183 A184 Y189 K190 L191 L208	L137-L187 HydrophobicContact CD1-CB 4.26Å; T148-L187 HydrophobicContact CG2-CD1 3.8Å; T148-L187 HydrophobicContact CG2-CD2 4.09Å; T148-L187 HydrophobicContact CG2-CG 4.31Å; V152-L187 HydrophobicContact CB-CD2 3.82Å; V152-L187 HydrophobicContact CG1-CD2 3.62Å; L153-L187 HydrophobicContact CB-CD2 4.12Å; L156-L187 HydrophobicContact CD1-CD2 4.42Å; M183-L187 PolarHBondContact O-N 3.25Å; A184-L187 PolarHBondContact O-N 2.71Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 2.83Å; L187-K190 CarbonylContact O-C 3.53Å; L187-K190 WeakPolarHBondContact O-CA 3.4Å; L187-K190 WeakPolarHBondContact O-CB 3.44Å; L187-K190 PolarHBondContact O-N 3.34Å; L187-L191 HydrophobicContact CD1-CG 4.49Å; L187-L191 HydrophobicContact CG-CD1 4.43Å; L187-L191 WeakPolarHBondContact O-CG 3.37Å; L187-L191 PolarHBondContact O-N 3.45Å; L187-L208 HydrophobicContact CD1-CD2 4.1Å
188	G	97.9	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-54.2	-46.4	175.3	0	0	0	0	0	112.3	A184 K190 L191 L192	A184-G188 PolarHBondContact O-N 3.15Å; G188-K190 VanDerWaalsContact C-N 3.29Å; G188-K190 PolarHBondContact O-N 2.9Å; G188-L191 PolarHBondContact O-N 3.07Å; G188-L192 WeakPolarHBondContact O-CG 3.27Å; G188-L192 PolarHBondContact O-N 3.04Å
189	Y	97.9	Very high	97.3	Very high	112 Å²	112	39.6 Å²	39.6	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-65	-28.8	175	-75.4	-59.1	0	0	0	113.8	K185 Q186 L187 L192 P193 I248 F249	K185-Y189 HydrophobicContact CD-CE2 4.32Å; K185-Y189 HydrophobicContact CG-CD2 4.11Å; K185-Y189 HydrophobicContact CG-CE2 3.73Å; K185-Y189 WeakPolarHBondContact O-CD2 3.44Å; K185-Y189 PolarHBondContact O-N 3.39Å; Q186-Y189 PolarHBondContact O-N 3.39Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 2.83Å; Y189-L192 HydrophobicContact CD1-CD1 3.93Å; Y189-L192 HydrophobicContact CE1-CD1 4.34Å; Y189-P193 WeakPolarHBondContact O-CD 3.26Å; Y189-I248 HydrophobicContact CE1-CG2 4.39Å; Y189-F249 HydrophobicContact CD1-CE1 4.03Å; Y189-F249 HydrophobicContact CD1-CZ 4.03Å; Y189-F249 HydrophobicContact CD2-CZ 4.12Å; Y189-F249 HydrophobicContact CE1-CE1 4.16Å; Y189-F249 AromaticContact CE1-CZ 3.83Å; Y189-F249 HydrophobicContact CE1-CZ 3.83Å; Y189-F249 AromaticContact CE2-CZ 3.95Å; Y189-F249 HydrophobicContact CE2-CZ 3.95Å; Y189-F249 HydrophobicContact CG-CE1 4.28Å; Y189-F249 HydrophobicContact CG-CZ 4.14Å; Y189-F249 AromaticContact CZ-CZ 3.78Å
190	K	96.3	Very high	97.2	Very high	46 Å²	46	37.9 Å²	37.9	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-73.8	-28.7	173.3	-77.7	164.9	167.3	-84.7	0	113.1	L137 D138 Q186 L187 G188 P193 I206 L208	L137-K190 HydrophobicContact CB-CD 4.46Å; L137-K190 WeakPolarHBondContact O-CD 3.35Å; L137-K190 WeakPolarHBondContact O-CE 3.4Å; L137-K190 PolarHBondContact O-NZ 3.33Å; D138-K190 IonicContact OD1-NZ 3.82Å; D138-K190 PolarHBondContact OD1-NZ 3Å; Q186-K190 WeakPolarHBondContact O-CG 3.31Å; Q186-K190 PolarHBondContact O-N 2.96Å; Q186-K190 VanDerWaalsContact O-N 3.11Å; L187-K190 CarbonylContact O-C 3.53Å; L187-K190 WeakPolarHBondContact O-CA 3.4Å; L187-K190 WeakPolarHBondContact O-CB 3.44Å; L187-K190 PolarHBondContact O-N 3.34Å; G188-K190 VanDerWaalsContact C-N 3.29Å; G188-K190 PolarHBondContact O-N 2.9Å; K190-P193 WeakPolarHBondContact O-CD 3.46Å; K190-I206 WeakPolarHBondContact O-CD1 3.13Å; K190-L208 PolarHBondContact NZ-O 3.33Å
191	L	97.6	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-82.8	-31.9	176.3	-63.3	-178.6	0	0	0	113.4	T148 N149 L187 G188 P193 A194 I206 F237	T148-L191 HydrophobicContact CG2-CD1 4.38Å; T148-L191 HydrophobicContact CG2-CD2 4.02Å; N149-L191 HydrophobicContact CB-CD1 4.44Å; L187-L191 HydrophobicContact CD1-CG 4.49Å; L187-L191 HydrophobicContact CG-CD1 4.43Å; L187-L191 WeakPolarHBondContact O-CG 3.37Å; L187-L191 PolarHBondContact O-N 3.45Å; G188-L191 PolarHBondContact O-N 3.07Å; L191-P193 VanDerWaalsContact C-N 3.32Å; L191-P193 VanDerWaalsContact O-N 3.12Å; L191-A194 VanDerWaalsContact O-CB 3.31Å; L191-A194 WeakPolarHBondContact O-CB 3.2Å; L191-A194 PolarHBondContact O-N 3.26Å; L191-I206 HydrophobicContact CD2-CG2 3.85Å; L191-F237 HydrophobicContact CB-CZ 4.07Å; L191-F237 HydrophobicContact CD1-CE1 4.22Å; L191-F237 HydrophobicContact CD1-CZ 4.32Å
192	L	97.1	Very high	97.2	Very high	19 Å²	19	37.3 Å²	37.3	10%	0.099	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-48.3	-37.9	-179	-79.2	-173.9	0	0	0	116.1	G188 Y189 A194 F195 F237 I248 F249 Y252	G188-L192 WeakPolarHBondContact O-CG 3.27Å; G188-L192 PolarHBondContact O-N 3.04Å; Y189-L192 HydrophobicContact CD1-CD1 3.93Å; Y189-L192 HydrophobicContact CE1-CD1 4.34Å; L192-A194 PolarHBondContact O-N 2.96Å; L192-A194 VanDerWaalsContact O-N 3.15Å; L192-F195 PolarHBondContact O-N 3.31Å; L192-F195 VanDerWaalsContact O-N 3.15Å; L192-F237 HydrophobicContact CD2-CE2 4.12Å; L192-I248 HydrophobicContact CD1-CD1 3.8Å; L192-I248 HydrophobicContact CD1-CG1 3.95Å; L192-I248 HydrophobicContact CD1-CG2 4.25Å; L192-F249 HydrophobicContact CD1-CD1 4.03Å; L192-F249 HydrophobicContact CD1-CE1 3.81Å; L192-F249 HydrophobicContact CD2-CD1 4.02Å; L192-F249 HydrophobicContact CG-CD1 4Å; L192-F249 HydrophobicContact CG-CE1 4.03Å; L192-Y252 HydrophobicContact CD2-CD2 3.48Å; L192-Y252 VanDerWaalsContact CD2-CD2 3.48Å; L192-Y252 HydrophobicContact CD2-CE2 4.1Å; L192-Y252 HydrophobicContact CD2-CG 3.93Å
193	P	96.6	Very high	97.1	Very high	49 Å²	49	33.4 Å²	33.4	32%	0.318	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-57.6	-26.4	177	-26.1	35.4	0	0	0	114.4	Y189 K190 L191 F195 N196 I206 I212	Y189-P193 WeakPolarHBondContact O-CD 3.26Å; K190-P193 WeakPolarHBondContact O-CD 3.46Å; L191-P193 VanDerWaalsContact C-N 3.32Å; L191-P193 VanDerWaalsContact O-N 3.12Å; P193-F195 PolarHBondContact O-N 3.29Å; P193-N196 VanDerWaalsContact O-CB 3.23Å; P193-N196 WeakPolarHBondContact O-CB 3.47Å; P193-N196 PolarHBondContact O-N 3.44Å; P193-N196 VanDerWaalsContact O-N 3.13Å; P193-I206 HydrophobicContact CB-CD1 4Å; P193-I206 HydrophobicContact CG-CD1 4.37Å; P193-I212 HydrophobicContact CB-CG1 4.23Å; P193-I212 WeakPolarHBondContact O-CD1 3.17Å
194	A	97.3	Very high	97	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-61.7	-29	178.2	0	0	0	0	0	112.7	V145 L191 L192 N196 P202 Y203 I206	V145-A194 HydrophobicContact CG1-CB 4.31Å; V145-A194 HydrophobicContact CG2-CB 3.69Å; L191-A194 VanDerWaalsContact O-CB 3.31Å; L191-A194 WeakPolarHBondContact O-CB 3.2Å; L191-A194 PolarHBondContact O-N 3.26Å; L192-A194 PolarHBondContact O-N 2.96Å; L192-A194 VanDerWaalsContact O-N 3.15Å; A194-N196 PolarHBondContact O-N 3.49Å; A194-P202 HydrophobicContact CB-CB 4.07Å; A194-P202 CarbonylContact O-C 3.57Å; A194-P202 VanDerWaalsContact O-CA 3.28Å; A194-P202 WeakPolarHBondContact O-CA 3.33Å; A194-Y203 VanDerWaalsContact O-CD2 3.26Å; A194-Y203 WeakPolarHBondContact O-CD2 3.4Å; A194-Y203 PolarHBondContact O-N 3.08Å; A194-I206 HydrophobicContact CB-CD1 4.04Å
195	F	97.3	Very high	96.9	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-76.7	0.9	179	-64	-103	0	0	0	113.5	L192 P193 T197 G200 P202 L233 F237 Y252 A256	L192-F195 PolarHBondContact O-N 3.31Å; L192-F195 VanDerWaalsContact O-N 3.15Å; P193-F195 PolarHBondContact O-N 3.29Å; F195-T197 PolarHBondContact O-N 3.41Å; F195-G200 WeakPolarHBondContact CD1-O 3.21Å; F195-P202 HydrophobicContact CD1-CB 4.34Å; F195-P202 HydrophobicContact CD2-CB 4.39Å; F195-P202 HydrophobicContact CE1-CB 4.41Å; F195-P202 HydrophobicContact CE1-CG 4.36Å; F195-P202 HydrophobicContact CE2-CB 4.44Å; F195-P202 HydrophobicContact CG-CB 4.35Å; F195-P202 HydrophobicContact CZ-CB 4.47Å; F195-L233 HydrophobicContact CE1-CD1 4.13Å; F195-L233 HydrophobicContact CZ-CD1 3.69Å; F195-F237 HydrophobicContact CE2-CD2 4.48Å; F195-F237 AromaticContact CE2-CE2 3.48Å; F195-F237 HydrophobicContact CE2-CE2 3.48Å; F195-F237 VanDerWaalsContact CE2-CE2 3.48Å; F195-F237 AromaticContact CE2-CZ 3.86Å; F195-F237 HydrophobicContact CE2-CZ 3.86Å; F195-F237 HydrophobicContact CZ-CD2 4.22Å; F195-F237 AromaticContact CZ-CE2 3.6Å; F195-F237 HydrophobicContact CZ-CE2 3.6Å; F195-F237 HydrophobicContact CZ-CZ 4.12Å; F195-Y252 HydrophobicContact CB-CD1 3.43Å; F195-Y252 VanDerWaalsContact CB-CD1 3.43Å; F195-Y252 HydrophobicContact CB-CE1 3.81Å; F195-Y252 HydrophobicContact CB-CG 4.28Å; F195-Y252 HydrophobicContact CD1-CD1 4.08Å; F195-Y252 HydrophobicContact CD1-CG 4.44Å; F195-Y252 AromaticContact CG-CD1 3.84Å; F195-Y252 HydrophobicContact CG-CD1 3.84Å; F195-Y252 HydrophobicContact CG-CG 4.27Å; F195-A256 HydrophobicContact CE1-CB 4.38Å
196	N	94.2	Very high	96.8	Very high	80 Å²	80	33.8 Å²	33.8	43%	0.428	17%	0.174	S	C	.	.			trans	-80.6	62.4	178.4	-174.6	94.8	0	0	0	111.4	P193 A194 I212 R213	P193-N196 VanDerWaalsContact O-CB 3.23Å; P193-N196 WeakPolarHBondContact O-CB 3.47Å; P193-N196 PolarHBondContact O-N 3.44Å; P193-N196 VanDerWaalsContact O-N 3.13Å; A194-N196 PolarHBondContact O-N 3.49Å; N196-I212 HydrophobicContact CB-CD1 4.25Å; N196-R213 PolarHBondContact OD1-NH2 3.44Å
197	T	95.6	Very high	96.8	Very high	23 Å²	23	28.3 Å²	28.3	14%	0.141	15%	0.149	C	C	.	.	S	Bend	trans	-116.1	175.3	174.4	66.4	0	0	0	0	110.5	F195 S199 G200 L201 Y203 I277	F195-T197 PolarHBondContact O-N 3.41Å; T197-S199 VanDerWaalsContact C-N 3.29Å; T197-S199 PolarHBondContact O-N 3.02Å; T197-S199 PolarHBondContact OG1-OG 3.08Å; T197-G200 PolarHBondContact OG1-N 3.03Å; T197-L201 WeakPolarHBondContact CB-O 3.15Å; T197-L201 WeakPolarHBondContact CG2-O 3.3Å; T197-L201 PolarHBondContact OG1-N 3.06Å; T197-L201 PolarHBondContact OG1-O 3.48Å; T197-Y203 HydrophobicContact CG2-CD2 3.71Å; T197-Y203 HydrophobicContact CG2-CE2 3.52Å; T197-Y203 HydrophobicContact CG2-CG 4.33Å; T197-I277 WeakPolarHBondContact CB-O 3.33Å; T197-I277 HydrophobicContact CG2-CB 4.08Å; T197-I277 HydrophobicContact CG2-CD1 3.69Å; T197-I277 HydrophobicContact CG2-CG1 3.74Å; T197-I277 PolarHBondContact OG1-O 3.06Å
198	T	94.9	Very high	96.6	Very high	112 Å²	112	28.5 Å²	28.5	69%	0.687	15%	0.15	S	C	*	.	S	Bend	trans	-71.5	-25.5	178	-40.7	0	0	0	0	112.5	H278	T198-H278 PolarHBondContact OG1-ND1 3.12Å
199	S	96.1	Very high	96.4	Very high	17 Å²	17	33.2 Å²	33.2	12%	0.119	17%	0.171	C	C	.	.	S	Bend	trans	-91.6	-25.4	177.9	60.4	0	0	0	0	114.3	T197 L201 F259 I277	T197-S199 VanDerWaalsContact C-N 3.29Å; T197-S199 PolarHBondContact O-N 3.02Å; T197-S199 PolarHBondContact OG1-OG 3.08Å; S199-L201 VanDerWaalsContact C-N 3.29Å; S199-L201 VanDerWaalsContact OG-CB 3.29Å; S199-L201 WeakPolarHBondContact OG-CB 3.32Å; S199-L201 VanDerWaalsContact OG-CG 3.32Å; S199-L201 WeakPolarHBondContact OG-CG 3.4Å; S199-L201 PolarHBondContact OG-N 2.94Å; S199-F259 VanDerWaalsContact CB-CE1 3.48Å; S199-F259 VanDerWaalsContact CB-CE2 3.48Å; S199-I277 VanDerWaalsContact CB-O 3.28Å; S199-I277 WeakPolarHBondContact CB-O 3.37Å; S199-I277 PolarHBondContact N-O 2.96Å; S199-I277 PolarHBondContact OG-O 2.99Å
200	G	96	Very high	96.2	Very high	16 Å²	16	30.3 Å²	30.3	17%	0.165	16%	0.16	C	C	.	.	S	Bend	trans	82.5	0.3	-164.4	0	0	0	0	0	114.1	F195 T197	F195-G200 WeakPolarHBondContact CD1-O 3.21Å; T197-G200 PolarHBondContact OG1-N 3.03Å
201	L	98.1	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-69	143.6	163.2	-57.9	177.9	0	0	0	109.4	T197 S199 A230 A256 F259 L260 I275 I277	T197-L201 WeakPolarHBondContact CB-O 3.15Å; T197-L201 WeakPolarHBondContact CG2-O 3.3Å; T197-L201 PolarHBondContact OG1-N 3.06Å; T197-L201 PolarHBondContact OG1-O 3.48Å; S199-L201 VanDerWaalsContact C-N 3.29Å; S199-L201 VanDerWaalsContact OG-CB 3.29Å; S199-L201 WeakPolarHBondContact OG-CB 3.32Å; S199-L201 VanDerWaalsContact OG-CG 3.32Å; S199-L201 WeakPolarHBondContact OG-CG 3.4Å; S199-L201 PolarHBondContact OG-N 2.94Å; L201-A230 HydrophobicContact CB-CB 4.43Å; L201-A230 HydrophobicContact CD2-CB 4.03Å; L201-A256 HydrophobicContact CD2-CB 4.07Å; L201-F259 HydrophobicContact CD1-CD1 3.7Å; L201-F259 HydrophobicContact CD1-CE1 3.8Å; L201-F259 HydrophobicContact CD2-CB 4.25Å; L201-F259 HydrophobicContact CD2-CD1 3.92Å; L201-F259 HydrophobicContact CD2-CG 4.46Å; L201-F259 HydrophobicContact CG-CD1 3.72Å; L201-F259 HydrophobicContact CG-CE1 4.17Å; L201-F259 HydrophobicContact CG-CG 4.42Å; L201-L260 HydrophobicContact CD1-CD2 4.42Å; L201-L260 HydrophobicContact CD2-CD1 4.49Å; L201-L260 HydrophobicContact CD2-CD2 4.04Å; L201-L260 HydrophobicContact CD2-CG 3.81Å; L201-I275 HydrophobicContact CD1-CD1 4.12Å; L201-I275 HydrophobicContact CD1-CG1 4.34Å; L201-I275 HydrophobicContact CD1-CG2 3.74Å; L201-I277 HydrophobicContact CB-CB 4.31Å; L201-I277 HydrophobicContact CB-CG2 4.19Å
202	P	97.8	Very high	95.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-72.9	146.4	178.2	30.1	-35.3	0	0	0	112.6	V145 A194 F195 A230 L233	V145-P202 HydrophobicContact CG1-CB 4.28Å; A194-P202 HydrophobicContact CB-CB 4.07Å; A194-P202 CarbonylContact O-C 3.57Å; A194-P202 VanDerWaalsContact O-CA 3.28Å; A194-P202 WeakPolarHBondContact O-CA 3.33Å; F195-P202 HydrophobicContact CD1-CB 4.34Å; F195-P202 HydrophobicContact CD2-CB 4.39Å; F195-P202 HydrophobicContact CE1-CB 4.41Å; F195-P202 HydrophobicContact CE1-CG 4.36Å; F195-P202 HydrophobicContact CE2-CB 4.44Å; F195-P202 HydrophobicContact CG-CB 4.35Å; F195-P202 HydrophobicContact CZ-CB 4.47Å; P202-A230 HydrophobicContact CG-CB 4.18Å; P202-L233 HydrophobicContact CG-CD1 3.77Å
203	Y	97.7	Very high	94.8	Very high	23 Å²	23	37.7 Å²	37.7	9%	0.09	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-52.5	143.2	156	-72.1	-85.9	0	0	0	109.3	V145 A194 T197 R205 I212 G220 E222 I277	V145-Y203 WeakPolarHBondContact CG2-O 3.5Å; A194-Y203 VanDerWaalsContact O-CD2 3.26Å; A194-Y203 WeakPolarHBondContact O-CD2 3.4Å; A194-Y203 PolarHBondContact O-N 3.08Å; T197-Y203 HydrophobicContact CG2-CD2 3.71Å; T197-Y203 HydrophobicContact CG2-CE2 3.52Å; T197-Y203 HydrophobicContact CG2-CG 4.33Å; Y203-R205 PolarHBondContact O-N 3.04Å; Y203-I212 HydrophobicContact CD2-CD1 3.58Å; Y203-I212 HydrophobicContact CD2-CG2 4.41Å; Y203-I212 HydrophobicContact CE2-CD1 3.35Å; Y203-G220 WeakPolarHBondContact CE1-O 3.45Å; Y203-E222 WeakPolarHBondContact CD1-O 3.39Å; Y203-E222 WeakPolarHBondContact CE1-O 3.4Å; Y203-I277 HydrophobicContact CD1-CD1 3.4Å; Y203-I277 HydrophobicContact CD2-CD1 4.45Å; Y203-I277 HydrophobicContact CE1-CD1 3.61Å; Y203-I277 HydrophobicContact CG-CD1 3.85Å
204	P	95.9	Very high	94.2	Very high	24 Å²	24	40.4 Å²	40.4	16%	0.156	20%	0.197	C	C	.	.	S	Bend	trans	-65.9	-24.5	179.6	28.4	-36.5	0	0	0	112.7	S144 V145 E222 D224	S144-P204 WeakPolarHBondContact CA-O 3.38Å; V145-P204 PolarHBondContact N-O 3.25Å; P204-E222 HydrophobicContact CG-CB 3.88Å; P204-E222 HydrophobicContact CG-CG 4.18Å; P204-D224 WeakPolarHBondContact CG-O 3.47Å
205	R	96.1	Very high	93.5	Very high	67 Å²	67	46.2 Å²	46.2	25%	0.253	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.6	-173.5	-73	174.8	174.3	120	4.4	111.6	D96 D99 V142 V143 Y203 T219 E222	D96-R205 IonicContact OD1-CZ 3.11Å; D96-R205 IonicContact OD1-NH2 3.68Å; D96-R205 PolarHBondContact OD1-NH2 2.92Å; D99-R205 IonicContact OD1-NE 2.81Å; D99-R205 IonicContact OD2-CZ 3.48Å; D99-R205 IonicContact OD2-NE 3.88Å; D99-R205 PolarHBondContact OD2-NE 2.81Å; D99-R205 IonicContact OD2-NH2 3.4Å; D99-R205 PolarHBondContact OD2-NH2 2.83Å; V142-R205 HydrophobicContact CG1-CB 3.83Å; V142-R205 HydrophobicContact CG1-CG 4.21Å; V143-R205 CarbonylContact O-C 3.53Å; V143-R205 VanDerWaalsContact O-CA 3.29Å; V143-R205 WeakPolarHBondContact O-CA 3.49Å; Y203-R205 PolarHBondContact O-N 3.04Å; R205-T219 VanDerWaalsContact CB-OG1 3.27Å; R205-T219 WeakPolarHBondContact CB-OG1 3.28Å; R205-E222 WeakPolarHBondContact CB-OE1 3.38Å; R205-E222 WeakPolarHBondContact CD-OE1 2.92Å
206	I	96.4	Very high	93	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	144.5	174	-171.3	153.9	0	0	0	111.2	V142 V143 V145 K190 L191 P193 A194 I212	V142-I206 CarbonylContact C-O 3.54Å; V142-I206 WeakPolarHBondContact CA-O 3.34Å; V143-I206 HydrophobicContact CG2-CG2 4.08Å; V143-I206 PolarHBondContact N-O 2.88Å; V143-I206 PolarHBondContact O-N 2.81Å; V145-I206 HydrophobicContact CG2-CB 3.93Å; V145-I206 HydrophobicContact CG2-CG2 3.61Å; K190-I206 WeakPolarHBondContact O-CD1 3.13Å; L191-I206 HydrophobicContact CD2-CG2 3.85Å; P193-I206 HydrophobicContact CB-CD1 4Å; P193-I206 HydrophobicContact CG-CD1 4.37Å; A194-I206 HydrophobicContact CB-CD1 4.04Å; I206-I212 HydrophobicContact CB-CG2 4.32Å; I206-I212 HydrophobicContact CD1-CG2 4.06Å; I206-I212 HydrophobicContact CG1-CG2 3.91Å
207	N	96.8	Very high	92.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.7	170.8	-172.2	-60.6	0	0	0	110	D140 V141 V142 K209 F210 G211 A217 T219	D140-N207 PolarHBondContact OD1-ND2 3.38Å; V141-N207 WeakPolarHBondContact O-CA 3.39Å; V142-N207 HydrophobicContact CG2-CB 4.25Å; N207-K209 PolarHBondContact O-N 2.88Å; N207-K209 VanDerWaalsContact O-N 3.11Å; N207-K209 PolarHBondContact OD1-N 3.38Å; N207-F210 HydrophobicContact CB-CB 4.17Å; N207-F210 PolarHBondContact O-N 2.88Å; N207-F210 PolarHBondContact OD1-N 3.3Å; N207-G211 WeakPolarHBondContact CB-O 3.16Å; N207-G211 PolarHBondContact N-O 3.4Å; N207-G211 WeakPolarHBondContact O-CA 3.5Å; N207-G211 PolarHBondContact O-N 3.19Å; N207-A217 HydrophobicContact CB-CB 3.86Å; N207-A217 WeakPolarHBondContact CB-O 3.31Å; N207-A217 PolarHBondContact ND2-O 3.03Å; N207-T219 HydrophobicContact CB-CG2 4.22Å
208	L	94.3	Very high	92.5	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.3	-176.4	-74.3	176.4	0	0	0	113.4	F104 N139 V141 V143 L187 K190	F104-L208 HydrophobicContact CD1-CD1 4Å; F104-L208 HydrophobicContact CE1-CD1 4.1Å; N139-L208 WeakPolarHBondContact O-CB 3.31Å; V141-L208 PolarHBondContact O-N 3.5Å; V143-L208 HydrophobicContact CG1-CD1 3.97Å; V143-L208 HydrophobicContact CG1-CG 4.15Å; V143-L208 HydrophobicContact CG2-CD1 4.34Å; V143-L208 HydrophobicContact CG2-CD2 3.78Å; V143-L208 HydrophobicContact CG2-CG 3.75Å; L187-L208 HydrophobicContact CD1-CD2 4.1Å; K190-L208 PolarHBondContact NZ-O 3.33Å
209	K	94.1	Very high	92.3	Very high	99 Å²	99	47.9 Å²	47.9	43%	0.43	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-37.7	-179.3	-173.6	168.2	-161.6	150.6	0	113.9	D138 N139 D140 N207	D138-K209 VanDerWaalsContact OD2-CE 3.26Å; D138-K209 WeakPolarHBondContact OD2-CE 3.37Å; D138-K209 IonicContact OD2-NZ 3.27Å; N139-K209 WeakPolarHBondContact O-CB 3.27Å; N139-K209 PolarHBondContact O-N 3.24Å; D140-K209 HydrophobicContact CB-CD 4.28Å; N207-K209 PolarHBondContact O-N 2.88Å; N207-K209 VanDerWaalsContact O-N 3.11Å; N207-K209 PolarHBondContact OD1-N 3.38Å
210	F	94.5	Very high	91.9	Very high	51 Å²	51	47.9 Å²	47.9	22%	0.224	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-9.7	-171.4	-62.3	-52.3	0	0	0	114.9	D140 N207 K214 E216 A217	D140-F210 HydrophobicContact CB-CE2 4.25Å; N207-F210 HydrophobicContact CB-CB 4.17Å; N207-F210 PolarHBondContact O-N 2.88Å; N207-F210 PolarHBondContact OD1-N 3.3Å; F210-K214 HydrophobicContact CB-CB 4.24Å; F210-K214 HydrophobicContact CB-CD 4.08Å; F210-K214 HydrophobicContact CD1-CD 3.88Å; F210-K214 HydrophobicContact CG-CD 4.36Å; F210-E216 HydrophobicContact CD1-CB 4.44Å; F210-E216 HydrophobicContact CD2-CB 3.77Å; F210-E216 WeakPolarHBondContact CD2-O 3.46Å; F210-E216 HydrophobicContact CE1-CB 4.42Å; F210-E216 HydrophobicContact CE2-CB 3.74Å; F210-E216 HydrophobicContact CG-CB 4.12Å; F210-E216 HydrophobicContact CZ-CB 4.08Å; F210-A217 HydrophobicContact CB-CB 3.88Å
211	G	93.9	Very high	91.6	Very high	13 Å²	13	53.1 Å²	53.1	13%	0.134	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	72.4	-128.7	-177.2	0	0	0	0	0	112	N207 A217	N207-G211 WeakPolarHBondContact CB-O 3.16Å; N207-G211 PolarHBondContact N-O 3.4Å; N207-G211 WeakPolarHBondContact O-CA 3.5Å; N207-G211 PolarHBondContact O-N 3.19Å; G211-A217 WeakPolarHBondContact O-CB 3.18Å
212	I	90.4	Very high	91.3	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.087	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-4.8	-179.2	62	153.9	0	0	0	114.5	P193 N196 Y203 I206	P193-I212 HydrophobicContact CB-CG1 4.23Å; P193-I212 WeakPolarHBondContact O-CD1 3.17Å; N196-I212 HydrophobicContact CB-CD1 4.25Å; Y203-I212 HydrophobicContact CD2-CD1 3.58Å; Y203-I212 HydrophobicContact CD2-CG2 4.41Å; Y203-I212 HydrophobicContact CE2-CD1 3.35Å; I206-I212 HydrophobicContact CB-CG2 4.32Å; I206-I212 HydrophobicContact CD1-CG2 4.06Å; I206-I212 HydrophobicContact CG1-CG2 3.91Å
213	R	77.8	Confident	91.2	Very high	190 Å²	190	58.2 Å²	58.2	72%	0.717	29%	0.286	S	S	*	.	S	Bend	trans	-103.9	4.4	-169.9	-68.3	-167.3	-179.3	176	0.1	114.4	N196	N196-R213 PolarHBondContact OD1-NH2 3.44Å
214	K	82.4	Confident	91.1	Very high	105 Å²	105	59.6 Å²	59.6	46%	0.457	30%	0.295	S	S	.	.	S	Bend	trans	-117	136.1	-172	-80.7	-172.5	175.9	-172.1	0	109.3	F210 E216 A217	F210-K214 HydrophobicContact CB-CB 4.24Å; F210-K214 HydrophobicContact CB-CD 4.08Å; F210-K214 HydrophobicContact CD1-CD 3.88Å; F210-K214 HydrophobicContact CG-CD 4.36Å; K214-E216 WeakPolarHBondContact CB-OE2 3.34Å; K214-E216 PolarHBondContact O-N 2.79Å; K214-A217 HydrophobicContact CB-CB 4.41Å; K214-A217 WeakPolarHBondContact O-CB 3.31Å; K214-A217 PolarHBondContact O-N 2.72Å
215	P	83.4	Confident	91.2	Very high	123 Å²	123	58.6 Å²	58.6	80%	0.799	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-52.1	-37.5	173	-27	35.4	0	0	0	112.6	A217 R218	P215-A217 PolarHBondContact O-N 2.97Å; P215-A217 VanDerWaalsContact O-N 3.15Å; P215-R218 PolarHBondContact O-N 3.15Å
216	E	87.6	Confident	91.2	Very high	99 Å²	99	56.7 Å²	56.7	46%	0.463	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-65.7	-14.9	178.3	-50.7	95.5	136.9	0	0	113.6	F210 K214 R218	F210-E216 HydrophobicContact CD1-CB 4.44Å; F210-E216 HydrophobicContact CD2-CB 3.77Å; F210-E216 WeakPolarHBondContact CD2-O 3.46Å; F210-E216 HydrophobicContact CE1-CB 4.42Å; F210-E216 HydrophobicContact CE2-CB 3.74Å; F210-E216 HydrophobicContact CG-CB 4.12Å; F210-E216 HydrophobicContact CZ-CB 4.08Å; K214-E216 WeakPolarHBondContact CB-OE2 3.34Å; K214-E216 PolarHBondContact O-N 2.79Å; E216-R218 PolarHBondContact O-NH1 3.14Å
217	A	87.9	Confident	91.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-67.7	-34.9	178.5	0	0	0	0	0	112.8	V142 N207 F210 G211 K214 P215 T219	V142-A217 WeakPolarHBondContact CG2-O 3.48Å; N207-A217 HydrophobicContact CB-CB 3.86Å; N207-A217 WeakPolarHBondContact CB-O 3.31Å; N207-A217 PolarHBondContact ND2-O 3.03Å; F210-A217 HydrophobicContact CB-CB 3.88Å; G211-A217 WeakPolarHBondContact O-CB 3.18Å; K214-A217 HydrophobicContact CB-CB 4.41Å; K214-A217 WeakPolarHBondContact O-CB 3.31Å; K214-A217 PolarHBondContact O-N 2.72Å; P215-A217 PolarHBondContact O-N 2.97Å; P215-A217 VanDerWaalsContact O-N 3.15Å; A217-T219 HydrophobicContact CB-CG2 4.26Å; A217-T219 PolarHBondContact O-N 3.11Å
218	R	90.4	Very high	91.4	Very high	144 Å²	144	56.7 Å²	56.7	54%	0.543	29%	0.285	S	S	.	.			trans	60.5	31.5	-177.5	-49.5	170.2	-58.9	-96.7	1.8	113.4	D140 V142 P215 E216	D140-R218 VanDerWaalsContact CG-NH2 3.31Å; D140-R218 IonicContact OD1-CZ 2.91Å; D140-R218 IonicContact OD1-NH1 3.39Å; D140-R218 PolarHBondContact OD1-NH1 2.9Å; D140-R218 IonicContact OD1-NH2 3.3Å; D140-R218 PolarHBondContact OD1-NH2 2.93Å; D140-R218 IonicContact OD2-CZ 2.66Å; D140-R218 IonicContact OD2-NH1 3.95Å; D140-R218 PolarHBondContact OD2-NH1 2.85Å; D140-R218 IonicContact OD2-NH2 3.67Å; D140-R218 PolarHBondContact OD2-NH2 2.99Å; V142-R218 HydrophobicContact CG2-CB 4.44Å; P215-R218 PolarHBondContact O-N 3.15Å; E216-R218 PolarHBondContact O-NH1 3.14Å
219	T	91	Very high	91.5	Very high	10 Å²	10	57.6 Å²	57.6	6%	0.061	29%	0.292	C	S	.	.			trans	-165.5	166.3	178.4	-178	0	0	0	0	108.7	V142 R205 N207 A217 E222	V142-T219 HydrophobicContact CG1-CG2 4.03Å; V142-T219 HydrophobicContact CG2-CG2 4.07Å; R205-T219 VanDerWaalsContact CB-OG1 3.27Å; R205-T219 WeakPolarHBondContact CB-OG1 3.28Å; N207-T219 HydrophobicContact CB-CG2 4.22Å; A217-T219 HydrophobicContact CB-CG2 4.26Å; A217-T219 PolarHBondContact O-N 3.11Å; T219-E222 WeakPolarHBondContact CB-OE1 3.49Å; T219-E222 VanDerWaalsContact OG1-CD 3.29Å; T219-E222 PolarHBondContact OG1-OE1 3.46Å; T219-E222 PolarHBondContact OG1-OE2 3.26Å
220	G	86.8	Confident	91.7	Very high	17 Å²	17	52.9 Å²	52.9	18%	0.175	27%	0.271	C	S	.	.	S	Bend	trans	103.6	11	-170.6	0	0	0	0	0	113.8	Y203 E222	Y203-G220 WeakPolarHBondContact CE1-O 3.45Å; G220-E222 PolarHBondContact N-OE2 2.96Å
221	T	89.9	Confident	91.8	Very high	127 Å²	127	50.5 Å²	50.5	78%	0.779	26%	0.261	S	S	*	.			trans	-113.3	-9.5	176.9	54.7	0	0	0	0	112.5	T223	T221-T223 PolarHBondContact O-N 2.57Å
222	E	92.7	Very high	92	Very high	36 Å²	36	49.9 Å²	49.9	17%	0.168	26%	0.255	C	S	.	.			trans	-66.1	121.6	177.2	-58.7	90.2	147.7	0	0	110	Y203 P204 R205 T219 G220 I277	Y203-E222 WeakPolarHBondContact CD1-O 3.39Å; Y203-E222 WeakPolarHBondContact CE1-O 3.4Å; P204-E222 HydrophobicContact CG-CB 3.88Å; P204-E222 HydrophobicContact CG-CG 4.18Å; R205-E222 WeakPolarHBondContact CB-OE1 3.38Å; R205-E222 WeakPolarHBondContact CD-OE1 2.92Å; T219-E222 WeakPolarHBondContact CB-OE1 3.49Å; T219-E222 VanDerWaalsContact OG1-CD 3.29Å; T219-E222 PolarHBondContact OG1-OE1 3.46Å; T219-E222 PolarHBondContact OG1-OE2 3.26Å; G220-E222 PolarHBondContact N-OE2 2.96Å; E222-I277 WeakPolarHBondContact O-CD1 2.99Å
223	T	95.6	Very high	92.4	Very high	72 Å²	72	49.1 Å²	49.1	44%	0.442	25%	0.251	S	S	.	.			trans	-87.5	-13.8	-176.2	61.9	0	0	0	0	114	T221 N276 I277	T221-T223 PolarHBondContact O-N 2.57Å; T223-N276 WeakPolarHBondContact CB-ND2 3.37Å; T223-N276 CarbonylContact O-C 3.47Å; T223-N276 WeakPolarHBondContact O-CA 3.35Å; T223-N276 PolarHBondContact O-ND2 3.28Å; T223-N276 VanDerWaalsContact O-ND2 3.1Å; T223-I277 WeakPolarHBondContact O-CG1 3.36Å; T223-I277 PolarHBondContact O-N 3.16Å
224	D	96.1	Very high	93.4	Very high	51 Å²	51	40.1 Å²	40.1	27%	0.273	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.1	-163.5	-57.7	-11.6	0	0	0	111.3	P204 T274 I275 N276	P204-D224 WeakPolarHBondContact CG-O 3.47Å; D224-T274 HydrophobicContact CB-CG2 4.02Å; D224-I275 WeakPolarHBondContact CA-O 3.33Å; D224-N276 PolarHBondContact OD1-ND2 2.68Å
225	T	97	Very high	94.2	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.2	177	-163.4	0	0	0	0	111.1	C229 A230 T274 I275 I277	T225-C229 WeakPolarHBondContact OG1-CB 3.22Å; T225-A230 HydrophobicContact CG2-CB 3.86Å; T225-T274 WeakPolarHBondContact O-CA 3.29Å; T225-T274 WeakPolarHBondContact O-CG2 3.34Å; T225-I275 HydrophobicContact CG2-CG2 3.97Å; T225-I275 PolarHBondContact N-O 3.24Å; T225-I275 PolarHBondContact O-N 3.37Å; T225-I277 HydrophobicContact CG2-CG2 3.46Å; T225-I277 VanDerWaalsContact CG2-CG2 3.46Å
226	C	96.8	Very high	94.9	Very high	26 Å²	26	29.2 Å²	29.2	18%	0.176	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	157.5	175.7	89.3	0	0	0	0	112.6	C229 A230 V273	C226-C229 HydrophobicContact CB-CB 4Å; C226-C229 WeakPolarHBondContact CB-SG 3.4Å; C226-C229 VanDerWaalsContact O-CB 3.28Å; C226-C229 WeakPolarHBondContact O-CB 3.41Å; C226-C229 PolarHBondContact O-N 2.82Å; C226-C229 VanDerWaalsContact O-N 3.16Å; C226-C229 WeakPolarHBondContact SG-CB 3.48Å; C226-C229 PolarHBondContact SG-N 3.48Å; C226-C229 CovalentContact SG-SG 2.04Å; C226-C229 PolarHBondContact SG-SG 3.42Å; C226-A230 PolarHBondContact O-N 2.8Å; C226-A230 VanDerWaalsContact O-N 3.11Å; C226-V273 VanDerWaalsContact CA-O 3.27Å; C226-V273 WeakPolarHBondContact CA-O 3.33Å; C226-V273 WeakPolarHBondContact CB-O 3.32Å
227	T	98.3	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-42.3	-175.9	-67.6	0	0	0	0	112.3	G231 V271 G272 V273 W282 G292 I293 Y296	T227-G231 PolarHBondContact O-N 3.5Å; T227-V271 HydrophobicContact CG2-CB 4.45Å; T227-V271 HydrophobicContact CG2-CG2 4.08Å; T227-G272 PolarHBondContact OG1-O 2.91Å; T227-V273 PolarHBondContact N-O 3.04Å; T227-V273 VanDerWaalsContact N-O 3.08Å; T227-W282 WeakPolarHBondContact OG1-CZ3 3.26Å; T227-G292 PolarHBondContact N-O 2.72Å; T227-I293 HydrophobicContact CG2-CG2 4.1Å; T227-Y296 HydrophobicContact CG2-CD1 3.78Å; T227-Y296 HydrophobicContact CG2-CD2 4.35Å; T227-Y296 HydrophobicContact CG2-CE1 4.36Å; T227-Y296 HydrophobicContact CG2-CG 3.77Å
228	A	97.9	Very high	95.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-47.5	167.9	0	0	0	0	0	111.4	F146 A230 G231 T232 G292 D294 S295	F146-A228 HydrophobicContact CE2-CB 4.28Å; A228-A230 PolarHBondContact O-N 2.78Å; A228-A230 VanDerWaalsContact O-N 3.08Å; A228-G231 PolarHBondContact O-N 3.49Å; A228-T232 VanDerWaalsContact O-CB 3.28Å; A228-T232 WeakPolarHBondContact O-CB 3.26Å; A228-T232 PolarHBondContact O-N 3.05Å; A228-T232 PolarHBondContact O-OG1 2.7Å; A228-T232 VanDerWaalsContact O-OG1 3.04Å; A228-G292 PolarHBondContact N-O 2.76Å; A228-D294 VanDerWaalsContact CB-OD1 3.25Å; A228-D294 WeakPolarHBondContact CB-OD1 3.43Å; A228-S295 WeakPolarHBondContact CB-OG 3.46Å
229	C	97.4	Very high	96.2	Very high	24 Å²	24	17.7 Å²	17.7	16%	0.162	11%	0.11	C	C	.	.	H	α-helix	trans	-54.8	-34.5	-177.2	-56.1	0	0	0	0	113.5	F146 T225 C226	F146-C229 HydrophobicContact CB-CB 4.23Å; T225-C229 WeakPolarHBondContact OG1-CB 3.22Å; C226-C229 HydrophobicContact CB-CB 4Å; C226-C229 WeakPolarHBondContact CB-SG 3.4Å; C226-C229 VanDerWaalsContact O-CB 3.28Å; C226-C229 WeakPolarHBondContact O-CB 3.41Å; C226-C229 PolarHBondContact O-N 2.82Å; C226-C229 VanDerWaalsContact O-N 3.16Å; C226-C229 WeakPolarHBondContact SG-CB 3.48Å; C226-C229 PolarHBondContact SG-N 3.48Å; C226-C229 CovalentContact SG-SG 2.04Å; C226-C229 PolarHBondContact SG-SG 3.42Å
230	A	97.5	Very high	96.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-98.5	-19.2	178.2	0	0	0	0	0	114.5	L201 P202 T225 C226 A228 L260	L201-A230 HydrophobicContact CB-CB 4.43Å; L201-A230 HydrophobicContact CD2-CB 4.03Å; P202-A230 HydrophobicContact CG-CB 4.18Å; T225-A230 HydrophobicContact CG2-CB 3.86Å; C226-A230 PolarHBondContact O-N 2.8Å; C226-A230 VanDerWaalsContact O-N 3.11Å; A228-A230 PolarHBondContact O-N 2.78Å; A228-A230 VanDerWaalsContact O-N 3.08Å; A230-L260 HydrophobicContact CB-CD1 4.18Å
231	G	97.5	Very high	97.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-93.2	-34.7	-177.6	0	0	0	0	0	114.5	T227 A228 L233	T227-G231 PolarHBondContact O-N 3.5Å; A228-G231 PolarHBondContact O-N 3.49Å; G231-L233 PolarHBondContact O-N 2.88Å
232	T	98.6	Very high	97.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	55	-168.3	-49.3	0	0	0	0	111.4	F146 N149 I150 A228 S295 Y296 Y299 T492	F146-T232 HydrophobicContact CE2-CG2 3.95Å; N149-T232 PolarHBondContact ND2-O 2.84Å; I150-T232 HydrophobicContact CG2-CG2 3.97Å; A228-T232 VanDerWaalsContact O-CB 3.28Å; A228-T232 WeakPolarHBondContact O-CB 3.26Å; A228-T232 PolarHBondContact O-N 3.05Å; A228-T232 PolarHBondContact O-OG1 2.7Å; A228-T232 VanDerWaalsContact O-OG1 3.04Å; T232-S295 WeakPolarHBondContact CG2-OG 3.4Å; T232-S295 WeakPolarHBondContact OG1-CB 3.49Å; T232-S295 PolarHBondContact OG1-O 2.94Å; T232-S295 PolarHBondContact OG1-OG 3.18Å; T232-Y296 PolarHBondContact OG1-N 3.29Å; T232-Y299 VanDerWaalsContact CA-CD2 3.46Å; T232-Y299 HydrophobicContact CG2-CD1 3.83Å; T232-Y299 HydrophobicContact CG2-CD2 3.71Å; T232-Y299 HydrophobicContact CG2-CE1 3.62Å; T232-Y299 HydrophobicContact CG2-CE2 3.46Å; T232-Y299 VanDerWaalsContact CG2-CE2 3.46Å; T232-Y299 HydrophobicContact CG2-CG 3.89Å; T232-Y299 VanDerWaalsContact CG2-CZ 3.41Å; T232-T492 HydrophobicContact CG2-CG2 3.9Å
233	L	98.4	Very high	97.5	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-14.3	-177	-57	172	0	0	0	112.8	N149 F195 P202 G231 F237 A253	N149-L233 HydrophobicContact CB-CD2 3.41Å; N149-L233 VanDerWaalsContact CB-CD2 3.41Å; N149-L233 VanDerWaalsContact CG-CD2 3.43Å; F195-L233 HydrophobicContact CE1-CD1 4.13Å; F195-L233 HydrophobicContact CZ-CD1 3.69Å; P202-L233 HydrophobicContact CG-CD1 3.77Å; G231-L233 PolarHBondContact O-N 2.88Å; L233-F237 VanDerWaalsContact O-CB 3.25Å; L233-F237 WeakPolarHBondContact O-CB 3.11Å; L233-F237 PolarHBondContact O-N 3.11Å; L233-F237 VanDerWaalsContact O-N 3.16Å; L233-A253 HydrophobicContact CB-CB 4.18Å
234	I	98.2	Very high	97.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-72.7	-31.7	-168.5	-173.2	59.6	0	0	0	113.8	A238 E250 A253 R254 L257 Y299 A303 L307 F312	I234-A238 HydrophobicContact CD1-CB 4.47Å; I234-A238 WeakPolarHBondContact O-CB 3.36Å; I234-A238 PolarHBondContact O-N 2.95Å; I234-E250 HydrophobicContact CD1-CG 4Å; I234-A253 HydrophobicContact CB-CB 4.25Å; I234-A253 HydrophobicContact CD1-CB 3.9Å; I234-R254 HydrophobicContact CD1-CB 4.28Å; I234-L257 HydrophobicContact CB-CD1 3.63Å; I234-L257 HydrophobicContact CG1-CD1 4.05Å; I234-L257 HydrophobicContact CG2-CD1 3.56Å; I234-Y299 HydrophobicContact CG2-CD2 3.9Å; I234-Y299 HydrophobicContact CG2-CG 4.42Å; I234-A303 HydrophobicContact CG1-CB 4.36Å; I234-A303 HydrophobicContact CG2-CB 3.85Å; I234-L307 HydrophobicContact CG1-CD1 4.2Å; I234-F312 HydrophobicContact CG1-CZ 4.14Å
235	L	98.4	Very high	97.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-69.2	-48.3	-176.7	-61.6	-175.1	0	0	0	111.1	A239 Y299 K302 A303 L306 T491 L497	L235-A239 VanDerWaalsContact O-CB 3.22Å; L235-A239 WeakPolarHBondContact O-CB 3.46Å; L235-A239 PolarHBondContact O-N 2.95Å; L235-Y299 HydrophobicContact CB-CD2 4.31Å; L235-Y299 HydrophobicContact CB-CE2 3.84Å; L235-Y299 HydrophobicContact CD1-CD1 3.87Å; L235-Y299 HydrophobicContact CD1-CD2 4.13Å; L235-Y299 HydrophobicContact CD1-CE1 3.53Å; L235-Y299 HydrophobicContact CD1-CE2 3.83Å; L235-Y299 HydrophobicContact CD1-CG 4.15Å; L235-Y299 HydrophobicContact CG-CD1 4.29Å; L235-Y299 HydrophobicContact CG-CD2 3.7Å; L235-Y299 HydrophobicContact CG-CE1 4.2Å; L235-Y299 HydrophobicContact CG-CE2 3.61Å; L235-Y299 HydrophobicContact CG-CG 4.05Å; L235-K302 HydrophobicContact CD1-CB 3.83Å; L235-K302 HydrophobicContact CD1-CD 4.23Å; L235-K302 HydrophobicContact CD2-CB 4.15Å; L235-A303 HydrophobicContact CD2-CB 4.02Å; L235-L306 HydrophobicContact CB-CD2 4.32Å; L235-L306 HydrophobicContact CD2-CB 4.27Å; L235-L306 HydrophobicContact CD2-CD2 3.86Å; L235-T491 HydrophobicContact CD1-CG2 4.45Å; L235-L497 HydrophobicContact CB-CD1 3.86Å
236	E	98.7	Very high	97.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-72.7	-43.7	-177.9	-54.2	71.5	-155.8	0	0	110.5	N149 L153 L157 A239 L240 Y299 T491	N149-E236 PolarHBondContact ND2-OE2 3.23Å; N149-E236 WeakPolarHBondContact OD1-CB 3.48Å; L153-E236 HydrophobicContact CD2-CB 3.95Å; L153-E236 HydrophobicContact CG-CB 4.07Å; L157-E236 HydrophobicContact CD1-CB 4.08Å; L157-E236 WeakPolarHBondContact CD1-O 3.23Å; E236-A239 PolarHBondContact O-N 3.3Å; E236-L240 VanDerWaalsContact O-CB 3.22Å; E236-L240 WeakPolarHBondContact O-CB 3.04Å; E236-L240 PolarHBondContact O-N 2.85Å; E236-Y299 PolarHBondContact OE1-OH 2.97Å; E236-Y299 WeakPolarHBondContact OE2-CE2 3.3Å; E236-T491 WeakPolarHBondContact OE1-CG2 3.42Å
237	F	98.6	Very high	97.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.1	-37.3	177.7	-82.4	40.3	0	0	0	111.4	N149 L153 L191 L192 F195 L233 S241 F249 A253	N149-F237 WeakPolarHBondContact OD1-CD1 3.4Å; N149-F237 WeakPolarHBondContact OD1-CE1 3.32Å; L153-F237 HydrophobicContact CD2-CD1 3.69Å; L153-F237 HydrophobicContact CD2-CE1 3.67Å; L191-F237 HydrophobicContact CB-CZ 4.07Å; L191-F237 HydrophobicContact CD1-CE1 4.22Å; L191-F237 HydrophobicContact CD1-CZ 4.32Å; L192-F237 HydrophobicContact CD2-CE2 4.12Å; F195-F237 HydrophobicContact CE2-CD2 4.48Å; F195-F237 AromaticContact CE2-CE2 3.48Å; F195-F237 HydrophobicContact CE2-CE2 3.48Å; F195-F237 VanDerWaalsContact CE2-CE2 3.48Å; F195-F237 AromaticContact CE2-CZ 3.86Å; F195-F237 HydrophobicContact CE2-CZ 3.86Å; F195-F237 HydrophobicContact CZ-CD2 4.22Å; F195-F237 AromaticContact CZ-CE2 3.6Å; F195-F237 HydrophobicContact CZ-CE2 3.6Å; F195-F237 HydrophobicContact CZ-CZ 4.12Å; L233-F237 VanDerWaalsContact O-CB 3.25Å; L233-F237 WeakPolarHBondContact O-CB 3.11Å; L233-F237 PolarHBondContact O-N 3.11Å; L233-F237 VanDerWaalsContact O-N 3.16Å; F237-S241 WeakPolarHBondContact O-CB 3.46Å; F237-S241 PolarHBondContact O-N 3.02Å; F237-S241 PolarHBondContact O-OG 3.46Å; F237-F249 HydrophobicContact CB-CB 3.87Å; F237-F249 HydrophobicContact CD2-CB 3.85Å; F237-F249 WeakPolarHBondContact CD2-O 3.47Å; F237-F249 HydrophobicContact CG-CB 4.02Å; F237-F249 WeakPolarHBondContact O-CB 3.34Å; F237-A253 HydrophobicContact CB-CB 3.88Å; F237-A253 HydrophobicContact CD2-CB 4.14Å; F237-A253 HydrophobicContact CG-CB 4.23Å
238	A	97.5	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-50.5	172	0	0	0	0	0	111.4	I234 L240 S241 R242 E250 L307	I234-A238 HydrophobicContact CD1-CB 4.47Å; I234-A238 WeakPolarHBondContact O-CB 3.36Å; I234-A238 PolarHBondContact O-N 2.95Å; A238-L240 VanDerWaalsContact C-N 3.31Å; A238-L240 PolarHBondContact O-N 3.26Å; A238-S241 CarbonylContact O-C 3.51Å; A238-S241 WeakPolarHBondContact O-CA 3.48Å; A238-S241 WeakPolarHBondContact O-CB 3.11Å; A238-S241 PolarHBondContact O-N 3.34Å; A238-R242 VanDerWaalsContact O-CG 3.29Å; A238-R242 WeakPolarHBondContact O-CG 3.3Å; A238-R242 PolarHBondContact O-N 3.48Å; A238-E250 HydrophobicContact CB-CB 4.36Å; A238-E250 HydrophobicContact CB-CG 3.91Å; A238-L307 HydrophobicContact CB-CD1 4.03Å; A238-L307 HydrophobicContact CB-CD2 3.66Å; A238-L307 HydrophobicContact CB-CG 4.44Å
239	A	97.8	Very high	97.3	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-55.6	-45.7	177.1	0	0	0	0	0	111.5	L157 L235 E236 S241 R242 F243 L497 L501	L157-A239 HydrophobicContact CD1-CB 4.2Å; L235-A239 VanDerWaalsContact O-CB 3.22Å; L235-A239 WeakPolarHBondContact O-CB 3.46Å; L235-A239 PolarHBondContact O-N 2.95Å; E236-A239 PolarHBondContact O-N 3.3Å; A239-S241 VanDerWaalsContact C-N 3.35Å; A239-S241 PolarHBondContact O-N 3.17Å; A239-R242 PolarHBondContact O-N 3.03Å; A239-R242 VanDerWaalsContact O-N 3.13Å; A239-F243 HydrophobicContact CB-CD2 4.31Å; A239-F243 HydrophobicContact CB-CE2 4.24Å; A239-F243 WeakPolarHBondContact O-CD2 3.42Å; A239-F243 PolarHBondContact O-N 3.15Å; A239-L497 HydrophobicContact CB-CD1 4.11Å; A239-L497 HydrophobicContact CB-CD2 3.9Å; A239-L501 HydrophobicContact CB-CD1 3.93Å
240	L	98.4	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.1	-42.6	174.1	-173.5	66.9	0	0	0	112.1	L153 L157 L181 A184 K185 E236 A238 T244 F249	L153-L240 HydrophobicContact CD1-CD1 4.44Å; L153-L240 HydrophobicContact CD1-CD2 4.18Å; L153-L240 HydrophobicContact CD2-CD2 4.26Å; L157-L240 HydrophobicContact CD1-CB 4.22Å; L157-L240 HydrophobicContact CD2-CB 4.49Å; L157-L240 HydrophobicContact CD2-CD1 4.09Å; L181-L240 HydrophobicContact CD1-CD1 4.14Å; A184-L240 HydrophobicContact CB-CD1 3.92Å; K185-L240 HydrophobicContact CB-CD1 4.33Å; E236-L240 VanDerWaalsContact O-CB 3.22Å; E236-L240 WeakPolarHBondContact O-CB 3.04Å; E236-L240 PolarHBondContact O-N 2.85Å; A238-L240 VanDerWaalsContact C-N 3.31Å; A238-L240 PolarHBondContact O-N 3.26Å; L240-T244 HydrophobicContact CD1-CG2 3.62Å; L240-T244 HydrophobicContact CG-CG2 4.18Å; L240-T244 VanDerWaalsContact O-CB 3.26Å; L240-T244 WeakPolarHBondContact O-CB 3.27Å; L240-T244 VanDerWaalsContact O-CG2 3.24Å; L240-T244 WeakPolarHBondContact O-CG2 3.43Å; L240-T244 PolarHBondContact O-N 3.42Å; L240-T244 PolarHBondContact O-OG1 2.67Å; L240-F249 HydrophobicContact CB-CD2 4.29Å; L240-F249 HydrophobicContact CD2-CB 4.48Å; L240-F249 HydrophobicContact CD2-CD1 3.97Å; L240-F249 HydrophobicContact CD2-CD2 3.56Å; L240-F249 HydrophobicContact CD2-CE1 4.04Å; L240-F249 HydrophobicContact CD2-CE2 3.61Å; L240-F249 HydrophobicContact CD2-CG 3.74Å; L240-F249 HydrophobicContact CD2-CZ 3.85Å; L240-F249 HydrophobicContact CG-CD2 3.7Å; L240-F249 HydrophobicContact CG-CE2 3.83Å; L240-F249 HydrophobicContact CG-CG 4.29Å
241	S	97.5	Very high	97.3	Very high	7 Å²	7	20.6 Å²	20.6	5%	0.049	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-39.2	173.5	-80.9	0	0	0	0	113.2	F237 A238 A239 G245 A246 T247 F249 E250	F237-S241 WeakPolarHBondContact O-CB 3.46Å; F237-S241 PolarHBondContact O-N 3.02Å; F237-S241 PolarHBondContact O-OG 3.46Å; A238-S241 CarbonylContact O-C 3.51Å; A238-S241 WeakPolarHBondContact O-CA 3.48Å; A238-S241 WeakPolarHBondContact O-CB 3.11Å; A238-S241 PolarHBondContact O-N 3.34Å; A239-S241 VanDerWaalsContact C-N 3.35Å; A239-S241 PolarHBondContact O-N 3.17Å; S241-G245 CarbonylContact O-C 3.59Å; S241-G245 VanDerWaalsContact O-CA 3.31Å; S241-G245 WeakPolarHBondContact O-CA 3.45Å; S241-G245 PolarHBondContact O-N 3.14Å; S241-A246 WeakPolarHBondContact CA-O 3.44Å; S241-A246 VanDerWaalsContact CB-O 3.29Å; S241-A246 WeakPolarHBondContact CB-O 3.34Å; S241-A246 PolarHBondContact O-N 2.87Å; S241-A246 PolarHBondContact OG-O 3.03Å; S241-T247 PolarHBondContact OG-O 2.94Å; S241-F249 WeakPolarHBondContact OG-CB 3.36Å; S241-F249 PolarHBondContact OG-N 2.93Å; S241-E250 PolarHBondContact OG-N 2.81Å
242	R	95.1	Very high	97.3	Very high	45 Å²	45	24.4 Å²	24.4	17%	0.17	14%	0.139	C	C	.	.	H	α-helix	trans	-72.9	-45.3	-179.9	-59.8	-64	157.6	156.8	-0.5	111.8	A238 A239 E250 L501 T504 N505	A238-R242 VanDerWaalsContact O-CG 3.29Å; A238-R242 WeakPolarHBondContact O-CG 3.3Å; A238-R242 PolarHBondContact O-N 3.48Å; A239-R242 PolarHBondContact O-N 3.03Å; A239-R242 VanDerWaalsContact O-N 3.13Å; R242-E250 IonicContact CZ-OE2 3.56Å; R242-E250 VanDerWaalsContact CZ-OE2 3.29Å; R242-E250 IonicContact NE-OE2 2.77Å; R242-E250 PolarHBondContact NE-OE2 3.06Å; R242-E250 VanDerWaalsContact NH2-CD 3.32Å; R242-E250 IonicContact NH2-OE1 3.69Å; R242-E250 PolarHBondContact NH2-OE1 3.42Å; R242-E250 VanDerWaalsContact NH2-OE1 3.17Å; R242-E250 IonicContact NH2-OE2 3.64Å; R242-E250 PolarHBondContact NH2-OE2 3.35Å; R242-L501 HydrophobicContact CB-CD2 3.82Å; R242-T504 WeakPolarHBondContact CD-O 3.46Å; R242-T504 PolarHBondContact NH1-O 3.09Å; R242-N505 PolarHBondContact NH1-O 3.3Å
243	F	95.9	Very high	97.3	Very high	34 Å²	34	24.4 Å²	24.4	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-67	-42.1	175.9	-74	-63.5	0	0	0	112.9	L157 H160 S161 I164 L181 A239 P498 W500 L501	L157-F243 HydrophobicContact CD2-CD2 3.99Å; L157-F243 HydrophobicContact CD2-CE2 4.43Å; H160-F243 AromaticContact CD2-CD1 3.97Å; H160-F243 AromaticContact NE2-CD1 3.67Å; S161-F243 VanDerWaalsContact OG-CZ 3.31Å; S161-F243 WeakPolarHBondContact OG-CZ 3.31Å; I164-F243 HydrophobicContact CD1-CE1 4.19Å; L181-F243 HydrophobicContact CD1-CB 3.54Å; L181-F243 HydrophobicContact CD1-CG 4.25Å; L181-F243 HydrophobicContact CD2-CB 3.98Å; L181-F243 HydrophobicContact CG-CB 4.42Å; A239-F243 HydrophobicContact CB-CD2 4.31Å; A239-F243 HydrophobicContact CB-CE2 4.24Å; A239-F243 WeakPolarHBondContact O-CD2 3.42Å; A239-F243 PolarHBondContact O-N 3.15Å; F243-P498 HydrophobicContact CZ-CG 4.06Å; F243-W500 HydrophobicContact CD1-CH2 4.14Å; F243-W500 AromaticContact CE1-CH2 3.66Å; F243-W500 HydrophobicContact CE1-CH2 3.66Å; F243-W500 AromaticContact CE1-CZ2 3.82Å; F243-W500 HydrophobicContact CE1-CZ2 3.82Å; F243-W500 HydrophobicContact CZ-CZ2 4.45Å; F243-L501 HydrophobicContact CD1-CD2 4.23Å; F243-L501 HydrophobicContact CD2-CD2 4.33Å; F243-L501 HydrophobicContact CE1-CD2 3.99Å; F243-L501 HydrophobicContact CE2-CD1 3.91Å; F243-L501 HydrophobicContact CE2-CD2 4.09Å; F243-L501 HydrophobicContact CG-CD2 4.38Å; F243-L501 HydrophobicContact CZ-CD1 4.06Å; F243-L501 HydrophobicContact CZ-CD2 3.9Å; F243-L501 HydrophobicContact CZ-CG 4.44Å
244	T	96.7	Very high	97.2	Very high	25 Å²	25	26.6 Å²	26.6	15%	0.153	15%	0.147	C	C	.	.	H	α-helix	trans	-92.4	-7.5	-174	70.1	0	0	0	0	115	L181 K185 L240 A246	L181-T244 HydrophobicContact CD1-CG2 3.66Å; L181-T244 HydrophobicContact CD2-CG2 4.29Å; L181-T244 HydrophobicContact CG-CG2 3.99Å; K185-T244 HydrophobicContact CB-CG2 4.04Å; K185-T244 HydrophobicContact CD-CG2 3.76Å; K185-T244 HydrophobicContact CG-CG2 4.03Å; L240-T244 HydrophobicContact CD1-CG2 3.62Å; L240-T244 HydrophobicContact CG-CG2 4.18Å; L240-T244 VanDerWaalsContact O-CB 3.26Å; L240-T244 WeakPolarHBondContact O-CB 3.27Å; L240-T244 VanDerWaalsContact O-CG2 3.24Å; L240-T244 WeakPolarHBondContact O-CG2 3.43Å; L240-T244 PolarHBondContact O-N 3.42Å; L240-T244 PolarHBondContact O-OG1 2.67Å; T244-A246 PolarHBondContact O-N 3.45Å; T244-A246 PolarHBondContact OG1-N 2.84Å
245	G	94.3	Very high	97.2	Very high	63 Å²	63	31.2 Å²	31.2	65%	0.649	17%	0.167	S	C	*	.	S	Bend	trans	70.6	-0.5	-172.4	0	0	0	0	0	115.5	S241	S241-G245 CarbonylContact O-C 3.59Å; S241-G245 VanDerWaalsContact O-CA 3.31Å; S241-G245 WeakPolarHBondContact O-CA 3.45Å; S241-G245 PolarHBondContact O-N 3.14Å
246	A	95.4	Very high	97.2	Very high	20 Å²	20	31.2 Å²	31.2	17%	0.165	17%	0.167	C	C	.	.			trans	-94.7	99.4	-175.8	0	0	0	0	0	111.3	S241 T244 I248 F249	S241-A246 WeakPolarHBondContact CA-O 3.44Å; S241-A246 VanDerWaalsContact CB-O 3.29Å; S241-A246 WeakPolarHBondContact CB-O 3.34Å; S241-A246 PolarHBondContact O-N 2.87Å; S241-A246 PolarHBondContact OG-O 3.03Å; T244-A246 PolarHBondContact O-N 3.45Å; T244-A246 PolarHBondContact OG1-N 2.84Å; A246-I248 HydrophobicContact CB-CG2 4.31Å; A246-I248 PolarHBondContact O-N 2.97Å; A246-I248 VanDerWaalsContact O-N 3.08Å; A246-F249 HydrophobicContact CB-CD2 4.42Å; A246-F249 HydrophobicContact CB-CE2 4Å; A246-F249 WeakPolarHBondContact O-CD2 3.11Å
247	T	95.8	Very high	97.2	Very high	80 Å²	80	31.2 Å²	31.2	49%	0.491	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.5	-175.6	58.9	0	0	0	0	115.1	S241 F249 E250 E251	S241-T247 PolarHBondContact OG-O 2.94Å; T247-F249 PolarHBondContact O-N 3.37Å; T247-F249 VanDerWaalsContact O-N 3.13Å; T247-E250 PolarHBondContact O-N 3.23Å; T247-E251 VanDerWaalsContact CB-OE1 3.27Å; T247-E251 WeakPolarHBondContact CB-OE1 3.45Å; T247-E251 WeakPolarHBondContact O-CG 3.15Å; T247-E251 PolarHBondContact O-N 3.1Å; T247-E251 PolarHBondContact OG1-OE1 2.88Å
248	I	97.5	Very high	97.1	Very high	59 Å²	59	33.9 Å²	33.9	30%	0.303	18%	0.181	S	C	.	.	H	α-helix	trans	-51.4	-38.8	-174.8	-168.9	167	0	0	0	113.6	Y189 L192 A246 E251 Y252	Y189-I248 HydrophobicContact CE1-CG2 4.39Å; L192-I248 HydrophobicContact CD1-CD1 3.8Å; L192-I248 HydrophobicContact CD1-CG1 3.95Å; L192-I248 HydrophobicContact CD1-CG2 4.25Å; A246-I248 HydrophobicContact CB-CG2 4.31Å; A246-I248 PolarHBondContact O-N 2.97Å; A246-I248 VanDerWaalsContact O-N 3.08Å; I248-E251 PolarHBondContact O-N 2.83Å; I248-Y252 HydrophobicContact CD1-CE2 4.15Å; I248-Y252 HydrophobicContact CG1-CD2 3.82Å; I248-Y252 HydrophobicContact CG1-CE2 3.73Å; I248-Y252 VanDerWaalsContact O-CD2 3.27Å; I248-Y252 WeakPolarHBondContact O-CD2 3.48Å; I248-Y252 PolarHBondContact O-N 2.95Å; I248-Y252 VanDerWaalsContact O-N 3.15Å
249	F	98.4	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-56.6	-178.7	-49.5	-66.6	0	0	0	110.9	Y189 L192 F237 L240 S241 A246 T247 E251 Y252 A253	Y189-F249 HydrophobicContact CD1-CE1 4.03Å; Y189-F249 HydrophobicContact CD1-CZ 4.03Å; Y189-F249 HydrophobicContact CD2-CZ 4.12Å; Y189-F249 HydrophobicContact CE1-CE1 4.16Å; Y189-F249 AromaticContact CE1-CZ 3.83Å; Y189-F249 HydrophobicContact CE1-CZ 3.83Å; Y189-F249 AromaticContact CE2-CZ 3.95Å; Y189-F249 HydrophobicContact CE2-CZ 3.95Å; Y189-F249 HydrophobicContact CG-CE1 4.28Å; Y189-F249 HydrophobicContact CG-CZ 4.14Å; Y189-F249 AromaticContact CZ-CZ 3.78Å; L192-F249 HydrophobicContact CD1-CD1 4.03Å; L192-F249 HydrophobicContact CD1-CE1 3.81Å; L192-F249 HydrophobicContact CD2-CD1 4.02Å; L192-F249 HydrophobicContact CG-CD1 4Å; L192-F249 HydrophobicContact CG-CE1 4.03Å; F237-F249 HydrophobicContact CB-CB 3.87Å; F237-F249 HydrophobicContact CD2-CB 3.85Å; F237-F249 WeakPolarHBondContact CD2-O 3.47Å; F237-F249 HydrophobicContact CG-CB 4.02Å; F237-F249 WeakPolarHBondContact O-CB 3.34Å; L240-F249 HydrophobicContact CB-CD2 4.29Å; L240-F249 HydrophobicContact CD2-CB 4.48Å; L240-F249 HydrophobicContact CD2-CD1 3.97Å; L240-F249 HydrophobicContact CD2-CD2 3.56Å; L240-F249 HydrophobicContact CD2-CE1 4.04Å; L240-F249 HydrophobicContact CD2-CE2 3.61Å; L240-F249 HydrophobicContact CD2-CG 3.74Å; L240-F249 HydrophobicContact CD2-CZ 3.85Å; L240-F249 HydrophobicContact CG-CD2 3.7Å; L240-F249 HydrophobicContact CG-CE2 3.83Å; L240-F249 HydrophobicContact CG-CG 4.29Å; S241-F249 WeakPolarHBondContact OG-CB 3.36Å; S241-F249 PolarHBondContact OG-N 2.93Å; A246-F249 HydrophobicContact CB-CD2 4.42Å; A246-F249 HydrophobicContact CB-CE2 4Å; A246-F249 WeakPolarHBondContact O-CD2 3.11Å; T247-F249 PolarHBondContact O-N 3.37Å; T247-F249 VanDerWaalsContact O-N 3.13Å; F249-E251 PolarHBondContact O-N 2.79Å; F249-Y252 PolarHBondContact O-N 3.43Å; F249-A253 PolarHBondContact O-N 3.06Å; F249-A253 VanDerWaalsContact O-N 3.16Å
250	E	97.2	Very high	97.2	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-53.4	-40.9	175.1	-167.3	-179	140	0	0	111.8	I234 A238 S241 R242 T247 Y252 R254	I234-E250 HydrophobicContact CD1-CG 4Å; A238-E250 HydrophobicContact CB-CB 4.36Å; A238-E250 HydrophobicContact CB-CG 3.91Å; S241-E250 PolarHBondContact OG-N 2.81Å; R242-E250 IonicContact CZ-OE2 3.56Å; R242-E250 VanDerWaalsContact CZ-OE2 3.29Å; R242-E250 IonicContact NE-OE2 2.77Å; R242-E250 PolarHBondContact NE-OE2 3.06Å; R242-E250 VanDerWaalsContact NH2-CD 3.32Å; R242-E250 IonicContact NH2-OE1 3.69Å; R242-E250 PolarHBondContact NH2-OE1 3.42Å; R242-E250 VanDerWaalsContact NH2-OE1 3.17Å; R242-E250 IonicContact NH2-OE2 3.64Å; R242-E250 PolarHBondContact NH2-OE2 3.35Å; T247-E250 PolarHBondContact O-N 3.23Å; E250-Y252 VanDerWaalsContact C-N 3.34Å; E250-Y252 PolarHBondContact O-N 3.41Å; E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 PolarHBondContact O-N 3.48Å; E250-R254 IonicContact OE1-CZ 3.89Å; E250-R254 IonicContact OE1-NE 2.7Å; E250-R254 IonicContact OE1-NH2 2.75Å; E250-R254 PolarHBondContact OE1-NH2 3.27Å
251	E	97.3	Very high	97.2	Very high	88 Å²	88	37.4 Å²	37.4	41%	0.411	20%	0.195	S	C	.	.	H	α-helix	trans	-62.4	-33.7	178.6	-75.7	178.6	-129.8	0	0	114.2	T247 I248 F249 K255	T247-E251 VanDerWaalsContact CB-OE1 3.27Å; T247-E251 WeakPolarHBondContact CB-OE1 3.45Å; T247-E251 WeakPolarHBondContact O-CG 3.15Å; T247-E251 PolarHBondContact O-N 3.1Å; T247-E251 PolarHBondContact OG1-OE1 2.88Å; I248-E251 PolarHBondContact O-N 2.83Å; F249-E251 PolarHBondContact O-N 2.79Å; E251-K255 WeakPolarHBondContact O-CD 3.37Å; E251-K255 VanDerWaalsContact O-CE 3.22Å; E251-K255 WeakPolarHBondContact O-CE 3.41Å; E251-K255 WeakPolarHBondContact O-CG 3.4Å; E251-K255 PolarHBondContact O-N 3.33Å; E251-K255 IonicContact OE2-NZ 3.19Å
252	Y	98.2	Very high	97.2	Very high	80 Å²	80	44 Å²	44	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-77.9	-47	177.2	-89.9	-75.7	0	0	0	111.8	L192 F195 I248 F249 E250 R254 K255 A256	L192-Y252 HydrophobicContact CD2-CD2 3.48Å; L192-Y252 VanDerWaalsContact CD2-CD2 3.48Å; L192-Y252 HydrophobicContact CD2-CE2 4.1Å; L192-Y252 HydrophobicContact CD2-CG 3.93Å; F195-Y252 HydrophobicContact CB-CD1 3.43Å; F195-Y252 VanDerWaalsContact CB-CD1 3.43Å; F195-Y252 HydrophobicContact CB-CE1 3.81Å; F195-Y252 HydrophobicContact CB-CG 4.28Å; F195-Y252 HydrophobicContact CD1-CD1 4.08Å; F195-Y252 HydrophobicContact CD1-CG 4.44Å; F195-Y252 AromaticContact CG-CD1 3.84Å; F195-Y252 HydrophobicContact CG-CD1 3.84Å; F195-Y252 HydrophobicContact CG-CG 4.27Å; I248-Y252 HydrophobicContact CD1-CE2 4.15Å; I248-Y252 HydrophobicContact CG1-CD2 3.82Å; I248-Y252 HydrophobicContact CG1-CE2 3.73Å; I248-Y252 VanDerWaalsContact O-CD2 3.27Å; I248-Y252 WeakPolarHBondContact O-CD2 3.48Å; I248-Y252 PolarHBondContact O-N 2.95Å; I248-Y252 VanDerWaalsContact O-N 3.15Å; F249-Y252 PolarHBondContact O-N 3.43Å; E250-Y252 VanDerWaalsContact C-N 3.34Å; E250-Y252 PolarHBondContact O-N 3.41Å; Y252-R254 VanDerWaalsContact C-N 3.31Å; Y252-R254 PolarHBondContact O-N 2.96Å; Y252-K255 PolarHBondContact O-N 3.13Å; Y252-A256 PolarHBondContact O-N 2.97Å
253	A	98.2	Very high	97.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-37.3	178.1	0	0	0	0	0	112.2	L233 I234 F237 F249 A256 L257	L233-A253 HydrophobicContact CB-CB 4.18Å; I234-A253 HydrophobicContact CB-CB 4.25Å; I234-A253 HydrophobicContact CD1-CB 3.9Å; F237-A253 HydrophobicContact CB-CB 3.88Å; F237-A253 HydrophobicContact CD2-CB 4.14Å; F237-A253 HydrophobicContact CG-CB 4.23Å; F249-A253 PolarHBondContact O-N 3.06Å; F249-A253 VanDerWaalsContact O-N 3.16Å; A253-A256 PolarHBondContact O-N 3.48Å; A253-L257 PolarHBondContact O-N 3.02Å
254	R	97	Very high	97.3	Very high	46 Å²	46	45.8 Å²	45.8	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-42.6	175.9	-173.9	178.7	-70.7	-93.9	10.7	112.4	I234 E250 Y252 A256 L257 D258 D309	I234-R254 HydrophobicContact CD1-CB 4.28Å; E250-R254 WeakPolarHBondContact O-CB 3.42Å; E250-R254 PolarHBondContact O-N 3.48Å; E250-R254 IonicContact OE1-CZ 3.89Å; E250-R254 IonicContact OE1-NE 2.7Å; E250-R254 IonicContact OE1-NH2 2.75Å; E250-R254 PolarHBondContact OE1-NH2 3.27Å; Y252-R254 VanDerWaalsContact C-N 3.31Å; Y252-R254 PolarHBondContact O-N 2.96Å; R254-A256 VanDerWaalsContact C-N 3.32Å; R254-A256 PolarHBondContact O-N 3.05Å; R254-L257 PolarHBondContact O-N 3.05Å; R254-D258 PolarHBondContact O-N 3.06Å; R254-D309 IonicContact CZ-OD2 3.98Å; R254-D309 IonicContact NH1-OD2 2.97Å; R254-D309 PolarHBondContact NH1-OD2 3.35Å; R254-D309 IonicContact NH2-OD2 2.85Å; R254-D309 PolarHBondContact NH2-OD2 3.17Å
255	K	97.9	Very high	97.3	Very high	98 Å²	98	46.9 Å²	46.9	43%	0.426	24%	0.236	S	C	.	.	H	α-helix	trans	-60.8	-38.8	175.8	-73	161.4	-163	152.5	0	112.2	E251 Y252 D258 F259	E251-K255 WeakPolarHBondContact O-CD 3.37Å; E251-K255 VanDerWaalsContact O-CE 3.22Å; E251-K255 WeakPolarHBondContact O-CE 3.41Å; E251-K255 WeakPolarHBondContact O-CG 3.4Å; E251-K255 PolarHBondContact O-N 3.33Å; E251-K255 IonicContact OE2-NZ 3.19Å; Y252-K255 PolarHBondContact O-N 3.13Å; K255-D258 PolarHBondContact O-N 3.22Å; K255-F259 PolarHBondContact O-N 3.02Å
256	A	98.3	Very high	97.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-44.7	175	0	0	0	0	0	111.9	F195 L201 Y252 A253 R254 F259 L260	F195-A256 HydrophobicContact CE1-CB 4.38Å; L201-A256 HydrophobicContact CD2-CB 4.07Å; Y252-A256 PolarHBondContact O-N 2.97Å; A253-A256 PolarHBondContact O-N 3.48Å; R254-A256 VanDerWaalsContact C-N 3.32Å; R254-A256 PolarHBondContact O-N 3.05Å; A256-F259 PolarHBondContact O-N 3.42Å; A256-L260 WeakPolarHBondContact O-CG 3.35Å; A256-L260 PolarHBondContact O-N 2.82Å
257	L	97.9	Very high	97	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-33.4	175	-75.3	175.2	0	0	0	113.9	I234 A253 R254 W261 Y296 L300 F312 R315	I234-L257 HydrophobicContact CB-CD1 3.63Å; I234-L257 HydrophobicContact CG1-CD1 4.05Å; I234-L257 HydrophobicContact CG2-CD1 3.56Å; A253-L257 PolarHBondContact O-N 3.02Å; R254-L257 PolarHBondContact O-N 3.05Å; L257-W261 VanDerWaalsContact O-CB 3.27Å; L257-W261 WeakPolarHBondContact O-CB 3.49Å; L257-W261 PolarHBondContact O-N 3.21Å; L257-Y296 HydrophobicContact CD2-CD2 3.59Å; L257-Y296 HydrophobicContact CD2-CE2 3.53Å; L257-L300 HydrophobicContact CD2-CD2 4.37Å; L257-F312 HydrophobicContact CD1-CE1 3.8Å; L257-R315 PolarHBondContact O-NH1 2.79Å
258	D	97.9	Very high	97	Very high	55 Å²	55	53.9 Å²	53.9	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-45.1	172.3	-68.2	-26	0	0	0	111	R254 K255 W261 E262 R315	R254-D258 PolarHBondContact O-N 3.06Å; K255-D258 PolarHBondContact O-N 3.22Å; D258-W261 WeakPolarHBondContact O-CB 3.28Å; D258-W261 PolarHBondContact O-N 2.74Å; D258-E262 PolarHBondContact O-N 2.94Å; D258-R315 IonicContact OD1-CZ 3.24Å; D258-R315 IonicContact OD1-NH1 3.6Å; D258-R315 PolarHBondContact OD1-NH1 2.98Å; D258-R315 IonicContact OD1-NH2 2.74Å; D258-R315 PolarHBondContact OD1-NH2 3.4Å
259	F	98.3	Very high	97	Very high	38 Å²	38	53.4 Å²	53.4	17%	0.167	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-45.5	177	-169.4	-88.7	0	0	0	112.5	S199 L201 K255 A256 W261 E262 K263 I275	S199-F259 VanDerWaalsContact CB-CE1 3.48Å; S199-F259 VanDerWaalsContact CB-CE2 3.48Å; L201-F259 HydrophobicContact CD1-CD1 3.7Å; L201-F259 HydrophobicContact CD1-CE1 3.8Å; L201-F259 HydrophobicContact CD2-CB 4.25Å; L201-F259 HydrophobicContact CD2-CD1 3.92Å; L201-F259 HydrophobicContact CD2-CG 4.46Å; L201-F259 HydrophobicContact CG-CD1 3.72Å; L201-F259 HydrophobicContact CG-CE1 4.17Å; L201-F259 HydrophobicContact CG-CG 4.42Å; K255-F259 PolarHBondContact O-N 3.02Å; A256-F259 PolarHBondContact O-N 3.42Å; F259-W261 VanDerWaalsContact C-N 3.28Å; F259-W261 PolarHBondContact O-N 2.96Å; F259-E262 PolarHBondContact O-N 3.11Å; F259-K263 HydrophobicContact CD1-CG 3.93Å; F259-K263 HydrophobicContact CE1-CD 4.35Å; F259-K263 HydrophobicContact CE1-CG 3.71Å; F259-K263 HydrophobicContact CZ-CD 4.43Å; F259-K263 HydrophobicContact CZ-CG 4.22Å; F259-K263 VanDerWaalsContact O-CG 3.3Å; F259-K263 WeakPolarHBondContact O-CG 3.45Å; F259-K263 PolarHBondContact O-N 2.69Å; F259-I275 HydrophobicContact CE1-CD1 4.3Å
260	L	98.3	Very high	97	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-41.5	175.1	-72.4	173.6	0	0	0	111.7	L201 A230 A256 K263 R264 I275 W282 Y296	L201-L260 HydrophobicContact CD1-CD2 4.42Å; L201-L260 HydrophobicContact CD2-CD1 4.49Å; L201-L260 HydrophobicContact CD2-CD2 4.04Å; L201-L260 HydrophobicContact CD2-CG 3.81Å; A230-L260 HydrophobicContact CB-CD1 4.18Å; A256-L260 WeakPolarHBondContact O-CG 3.35Å; A256-L260 PolarHBondContact O-N 2.82Å; L260-K263 PolarHBondContact O-N 3.11Å; L260-R264 PolarHBondContact O-N 3.44Å; L260-I275 HydrophobicContact CD2-CD1 4.34Å; L260-I275 HydrophobicContact CD2-CG2 4.23Å; L260-W282 HydrophobicContact CD2-CH2 4.36Å; L260-Y296 HydrophobicContact CB-CE2 3.95Å; L260-Y296 HydrophobicContact CD1-CD2 3.91Å; L260-Y296 HydrophobicContact CD1-CE2 3.89Å
261	W	97.9	Very high	97	Very high	37 Å²	37	53 Å²	53	14%	0.14	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-44.5	176	171.5	-118	0	0	0	112.7	L257 D258 F259 K263 R264 R315 T318	L257-W261 VanDerWaalsContact O-CB 3.27Å; L257-W261 WeakPolarHBondContact O-CB 3.49Å; L257-W261 PolarHBondContact O-N 3.21Å; D258-W261 WeakPolarHBondContact O-CB 3.28Å; D258-W261 PolarHBondContact O-N 2.74Å; F259-W261 VanDerWaalsContact C-N 3.28Å; F259-W261 PolarHBondContact O-N 2.96Å; W261-K263 VanDerWaalsContact C-N 3.27Å; W261-K263 PolarHBondContact O-N 3.17Å; W261-R264 VanDerWaalsContact CZ2-CZ 3.45Å; W261-R264 VanDerWaalsContact CZ2-NH2 3.28Å; W261-R264 WeakPolarHBondContact O-CD 3.22Å; W261-R264 VanDerWaalsContact O-CG 3.29Å; W261-R264 WeakPolarHBondContact O-CG 3.24Å; W261-R264 PolarHBondContact O-N 3.01Å; W261-R264 PolarHBondContact O-NH1 2.88Å; W261-R315 HydrophobicContact CD2-CB 4.41Å; W261-R315 HydrophobicContact CD2-CG 3.56Å; W261-R315 HydrophobicContact CE3-CB 3.96Å; W261-R315 HydrophobicContact CE3-CG 3.62Å; W261-R315 HydrophobicContact CG-CG 4.08Å; W261-R315 HydrophobicContact CH2-CB 4.28Å; W261-R315 HydrophobicContact CH2-CG 3.96Å; W261-R315 HydrophobicContact CZ2-CG 3.92Å; W261-R315 HydrophobicContact CZ3-CB 3.9Å; W261-R315 HydrophobicContact CZ3-CG 3.83Å; W261-T318 HydrophobicContact CH2-CG2 3.71Å; W261-T318 HydrophobicContact CZ3-CG2 3.99Å
262	E	97.4	Very high	97	Very high	145 Å²	145	48.8 Å²	48.8	68%	0.678	22%	0.219	S	C	*	.	H	α-helix	trans	-63.6	-31.9	176.3	-74.6	-170.3	174.3	0	0	113.1	D258 F259	D258-E262 PolarHBondContact O-N 2.94Å; F259-E262 PolarHBondContact O-N 3.11Å
263	K	97.4	Very high	97	Very high	59 Å²	59	45.2 Å²	45.2	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-82	-7.9	-177.5	-67.8	-62	-165.9	144.1	0	115	F259 L260 W261 I275 T279 G280 W282	F259-K263 HydrophobicContact CD1-CG 3.93Å; F259-K263 HydrophobicContact CE1-CD 4.35Å; F259-K263 HydrophobicContact CE1-CG 3.71Å; F259-K263 HydrophobicContact CZ-CD 4.43Å; F259-K263 HydrophobicContact CZ-CG 4.22Å; F259-K263 VanDerWaalsContact O-CG 3.3Å; F259-K263 WeakPolarHBondContact O-CG 3.45Å; F259-K263 PolarHBondContact O-N 2.69Å; L260-K263 PolarHBondContact O-N 3.11Å; W261-K263 VanDerWaalsContact C-N 3.27Å; W261-K263 PolarHBondContact O-N 3.17Å; K263-I275 HydrophobicContact CB-CD1 4.04Å; K263-I275 HydrophobicContact CG-CD1 4.08Å; K263-T279 PolarHBondContact NZ-O 3.37Å; K263-G280 VanDerWaalsContact CD-O 3.22Å; K263-G280 WeakPolarHBondContact CD-O 3.3Å; K263-G280 WeakPolarHBondContact CE-O 3.31Å; K263-G280 VanDerWaalsContact NZ-C 3.25Å; K263-G280 PolarHBondContact NZ-O 3.28Å; K263-W282 HydrophobicContact CB-CZ2 4Å; K263-W282 PolarHBondContact O-NE1 3.09Å
264	R	96.5	Very high	97	Very high	59 Å²	59	46.4 Å²	46.4	22%	0.223	21%	0.212	C	C	.	.	S	Bend	trans	-55	145.8	176.2	79.7	-170.3	-176.5	-88.1	13.5	112.5	L260 W261 R266 N269 V271 H319	L260-R264 PolarHBondContact O-N 3.44Å; W261-R264 VanDerWaalsContact CZ2-CZ 3.45Å; W261-R264 VanDerWaalsContact CZ2-NH2 3.28Å; W261-R264 WeakPolarHBondContact O-CD 3.22Å; W261-R264 VanDerWaalsContact O-CG 3.29Å; W261-R264 WeakPolarHBondContact O-CG 3.24Å; W261-R264 PolarHBondContact O-N 3.01Å; W261-R264 PolarHBondContact O-NH1 2.88Å; R264-R266 PolarHBondContact O-N 3Å; R264-R266 VanDerWaalsContact O-N 3.1Å; R264-N269 PolarHBondContact NE-OD1 3.3Å; R264-V271 HydrophobicContact CB-CG1 3.89Å; R264-H319 WeakPolarHBondContact CB-NE2 3.36Å; R264-H319 WeakPolarHBondContact CD-NE2 3.38Å
265	Q	96.3	Very high	97	Very high	47 Å²	47	44.2 Å²	44.2	22%	0.22	20%	0.204	C	C	.	.			trans	-70.9	108.9	-177.9	173.8	52.5	17.9	0	0	111.2	S267 S268 N269 L270 I338	Q265-S267 PolarHBondContact NE2-OG 2.88Å; Q265-S267 PolarHBondContact O-N 2.95Å; Q265-S268 WeakPolarHBondContact CG-OG 3.26Å; Q265-S268 PolarHBondContact O-N 3.33Å; Q265-S268 PolarHBondContact O-OG 3.34Å; Q265-N269 WeakPolarHBondContact O-CA 3.46Å; Q265-N269 PolarHBondContact O-N 3.18Å; Q265-L270 PolarHBondContact N-O 2.66Å; Q265-I338 HydrophobicContact CB-CB 4.05Å; Q265-I338 HydrophobicContact CB-CD1 4.45Å; Q265-I338 HydrophobicContact CB-CG1 4.27Å; Q265-I338 HydrophobicContact CG-CB 4.41Å; Q265-I338 WeakPolarHBondContact CG-O 3.21Å
266	R	92.1	Very high	97	Very high	231 Å²	231	40.8 Å²	40.8	87%	0.872	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-23.6	-170.6	-64.3	-176.5	-179.9	-176.5	-0.5	116.3	R264	R264-R266 PolarHBondContact O-N 3Å; R264-R266 VanDerWaalsContact O-N 3.1Å
267	S	92.4	Very high	97	Very high	77 Å²	77	40.8 Å²	40.8	54%	0.538	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-15.6	-179.9	59.7	0	0	0	0	114.7	Q265	Q265-S267 PolarHBondContact NE2-OG 2.88Å; Q265-S267 PolarHBondContact O-N 2.95Å
268	S	95.5	Very high	96.9	Very high	3 Å²	3	44 Å²	44	2%	0.021	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.1	-12.5	-173.4	56.2	0	0	0	0	113.8	Q265 L270 A322 I338	Q265-S268 WeakPolarHBondContact CG-OG 3.26Å; Q265-S268 PolarHBondContact O-N 3.33Å; Q265-S268 PolarHBondContact O-OG 3.34Å; S268-L270 PolarHBondContact O-N 2.7Å; S268-L270 VanDerWaalsContact O-N 3.14Å; S268-A322 WeakPolarHBondContact O-CB 3.34Å; S268-I338 PolarHBondContact OG-O 3.32Å
269	N	97.6	Very high	96.8	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.262	21%	0.213	S	C	.	.			trans	56.4	9.5	-167.3	-66.7	-50.8	0	0	0	115.2	R264 Q265 T318 H319 A322	R264-N269 PolarHBondContact NE-OD1 3.3Å; Q265-N269 WeakPolarHBondContact O-CA 3.46Å; Q265-N269 PolarHBondContact O-N 3.18Å; N269-T318 HydrophobicContact CB-CG2 3.86Å; N269-T318 VanDerWaalsContact CG-CG2 3.43Å; N269-T318 WeakPolarHBondContact ND2-CG2 3.33Å; N269-H319 PolarHBondContact O-CE1 3.16Å; N269-H319 PolarHBondContact O-ND1 2.94Å; N269-H319 PolarHBondContact O-NE2 2.93Å; N269-A322 HydrophobicContact CB-CB 4.19Å
270	L	97.7	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.			trans	-79.1	154.7	177.9	-63.4	177.8	0	0	0	112.1	Q265 S268 A322 Y326 I327 V336 I338 P341	Q265-L270 PolarHBondContact N-O 2.66Å; S268-L270 PolarHBondContact O-N 2.7Å; S268-L270 VanDerWaalsContact O-N 3.14Å; L270-A322 HydrophobicContact CD2-CB 3.78Å; L270-A322 HydrophobicContact CG-CB 4.34Å; L270-Y326 HydrophobicContact CD1-CD2 4.27Å; L270-Y326 HydrophobicContact CG-CD2 4.47Å; L270-I327 HydrophobicContact CD2-CD1 3.83Å; L270-V336 HydrophobicContact CD1-CG2 3.67Å; L270-I338 HydrophobicContact CB-CB 4.19Å; L270-I338 HydrophobicContact CB-CG2 3.82Å; L270-P341 HydrophobicContact CD1-CB 4.06Å
271	V	98.1	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.23	C	C	.	.			trans	-116.8	150.5	175.9	-72	0	0	0	0	109.5	T227 R264 W282 S287 I293 Y296 Y297 H319 I338	T227-V271 HydrophobicContact CG2-CB 4.45Å; T227-V271 HydrophobicContact CG2-CG2 4.08Å; R264-V271 HydrophobicContact CB-CG1 3.89Å; V271-W282 HydrophobicContact CB-CH2 3.63Å; V271-W282 HydrophobicContact CB-CZ2 3.84Å; V271-W282 HydrophobicContact CB-CZ3 4.41Å; V271-W282 HydrophobicContact CG1-CH2 3.96Å; V271-W282 HydrophobicContact CG1-CZ2 3.85Å; V271-S287 WeakPolarHBondContact O-CB 3.32Å; V271-S287 PolarHBondContact O-OG 3.04Å; V271-I293 HydrophobicContact CG2-CG2 3.8Å; V271-Y296 HydrophobicContact CG1-CE1 4.4Å; V271-Y296 HydrophobicContact CG2-CD1 4.26Å; V271-Y296 HydrophobicContact CG2-CE1 3.98Å; V271-Y297 HydrophobicContact CG2-CE1 4.06Å; V271-Y297 WeakPolarHBondContact CG2-OH 3.19Å; V271-H319 VanDerWaalsContact CG1-NE2 3.26Å; V271-H319 WeakPolarHBondContact CG1-NE2 3.38Å; V271-I338 WeakPolarHBondContact O-CG2 3.45Å
272	G	97.3	Very high	96.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.			trans	-81.5	172.2	179.1	0	0	0	0	0	112.9	T227 W282 R284 D286	T227-G272 PolarHBondContact OG1-O 2.91Å; G272-W282 VanDerWaalsContact CA-CE3 3.4Å; G272-W282 VanDerWaalsContact N-CE3 3.27Å; G272-W282 VanDerWaalsContact N-CZ3 3.26Å; G272-W282 WeakPolarHBondContact O-CZ3 3.24Å; G272-R284 WeakPolarHBondContact CA-O 3.44Å; G272-D286 WeakPolarHBondContact CA-O 3.35Å
273	V	96.8	Very high	96.5	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.03	22%	0.217	C	C	.	.	S	Bend	trans	-72.5	-34.7	174.4	177.7	0	0	0	0	112.4	C226 T227 R284 D286 I293	C226-V273 VanDerWaalsContact CA-O 3.27Å; C226-V273 WeakPolarHBondContact CA-O 3.33Å; C226-V273 WeakPolarHBondContact CB-O 3.32Å; T227-V273 PolarHBondContact N-O 3.04Å; T227-V273 VanDerWaalsContact N-O 3.08Å; V273-R284 HydrophobicContact CB-CB 4.04Å; V273-R284 PolarHBondContact N-O 2.89Å; V273-D286 WeakPolarHBondContact CG2-OD2 3.13Å; V273-D286 PolarHBondContact N-O 2.7Å; V273-I293 HydrophobicContact CB-CD1 4.45Å; V273-I293 HydrophobicContact CB-CG1 4.41Å; V273-I293 HydrophobicContact CG2-CD1 3.76Å; V273-I293 HydrophobicContact CG2-CG1 4.03Å
274	T	97.6	Very high	96.5	Very high	26 Å²	26	46 Å²	46	16%	0.16	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.1	-171.9	-48.4	0	0	0	0	111	D224 T225 V283 R284	D224-T274 HydrophobicContact CB-CG2 4.02Å; T225-T274 WeakPolarHBondContact O-CA 3.29Å; T225-T274 WeakPolarHBondContact O-CG2 3.34Å; T274-V283 HydrophobicContact CG2-CB 4.37Å; T274-V283 PolarHBondContact O-N 3.11Å; T274-R284 PolarHBondContact O-N 2.72Å; T274-R284 WeakPolarHBondContact OG1-CD 3.31Å
275	I	98.1	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.8	-175.8	-170.6	166.4	0	0	0	110.9	L201 D224 T225 F259 L260 K263 D281 W282	L201-I275 HydrophobicContact CD1-CD1 4.12Å; L201-I275 HydrophobicContact CD1-CG1 4.34Å; L201-I275 HydrophobicContact CD1-CG2 3.74Å; D224-I275 WeakPolarHBondContact CA-O 3.33Å; T225-I275 HydrophobicContact CG2-CG2 3.97Å; T225-I275 PolarHBondContact N-O 3.24Å; T225-I275 PolarHBondContact O-N 3.37Å; F259-I275 HydrophobicContact CE1-CD1 4.3Å; L260-I275 HydrophobicContact CD2-CD1 4.34Å; L260-I275 HydrophobicContact CD2-CG2 4.23Å; K263-I275 HydrophobicContact CB-CD1 4.04Å; K263-I275 HydrophobicContact CG-CD1 4.08Å; I275-D281 WeakPolarHBondContact CA-O 3.31Å; I275-W282 HydrophobicContact CB-CE3 3.81Å; I275-W282 HydrophobicContact CB-CH2 4.42Å; I275-W282 HydrophobicContact CB-CZ3 3.69Å; I275-W282 HydrophobicContact CD1-CD2 4.49Å; I275-W282 HydrophobicContact CD1-CE3 4.32Å; I275-W282 HydrophobicContact CD1-CH2 3.96Å; I275-W282 HydrophobicContact CD1-CZ2 4.14Å; I275-W282 HydrophobicContact CD1-CZ3 4.06Å; I275-W282 HydrophobicContact CG1-CE3 4.26Å; I275-W282 HydrophobicContact CG1-CZ3 4.28Å; I275-W282 HydrophobicContact CG2-CZ3 4.37Å
276	N	98.3	Very high	96.4	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.1	173.6	-174.4	-85.9	0	0	0	110.8	T223 D224 H278 T279 G280 D281 V283	T223-N276 WeakPolarHBondContact CB-ND2 3.37Å; T223-N276 CarbonylContact O-C 3.47Å; T223-N276 WeakPolarHBondContact O-CA 3.35Å; T223-N276 PolarHBondContact O-ND2 3.28Å; T223-N276 VanDerWaalsContact O-ND2 3.1Å; D224-N276 PolarHBondContact OD1-ND2 2.68Å; N276-H278 VanDerWaalsContact C-N 3.28Å; N276-H278 PolarHBondContact O-N 3.4Å; N276-H278 PolarHBondContact OD1-N 2.99Å; N276-T279 PolarHBondContact OD1-N 3.41Å; N276-T279 PolarHBondContact OD1-OG1 3.22Å; N276-G280 WeakPolarHBondContact O-CA 3.45Å; N276-G280 PolarHBondContact O-N 3.39Å; N276-D281 PolarHBondContact N-O 3.08Å; N276-V283 HydrophobicContact CB-CG2 4.17Å
277	I	97.4	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.5	-174.2	74.2	-163.9	0	0	0	114	T197 S199 L201 Y203 E222 T223 T225	T197-I277 WeakPolarHBondContact CB-O 3.33Å; T197-I277 HydrophobicContact CG2-CB 4.08Å; T197-I277 HydrophobicContact CG2-CD1 3.69Å; T197-I277 HydrophobicContact CG2-CG1 3.74Å; T197-I277 PolarHBondContact OG1-O 3.06Å; S199-I277 VanDerWaalsContact CB-O 3.28Å; S199-I277 WeakPolarHBondContact CB-O 3.37Å; S199-I277 PolarHBondContact N-O 2.96Å; S199-I277 PolarHBondContact OG-O 2.99Å; L201-I277 HydrophobicContact CB-CB 4.31Å; L201-I277 HydrophobicContact CB-CG2 4.19Å; Y203-I277 HydrophobicContact CD1-CD1 3.4Å; Y203-I277 HydrophobicContact CD2-CD1 4.45Å; Y203-I277 HydrophobicContact CE1-CD1 3.61Å; Y203-I277 HydrophobicContact CG-CD1 3.85Å; E222-I277 WeakPolarHBondContact O-CD1 2.99Å; T223-I277 WeakPolarHBondContact O-CG1 3.36Å; T223-I277 PolarHBondContact O-N 3.16Å; T225-I277 HydrophobicContact CG2-CG2 3.46Å; T225-I277 VanDerWaalsContact CG2-CG2 3.46Å
278	H	95.8	Very high	96.8	Very high	67 Å²	67	32.1 Å²	32.1	31%	0.31	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-43.7	177.8	-66.7	-77.1	0	0	0	113.1	T198 N276	T198-H278 PolarHBondContact OG1-ND1 3.12Å; N276-H278 VanDerWaalsContact C-N 3.28Å; N276-H278 PolarHBondContact O-N 3.4Å; N276-H278 PolarHBondContact OD1-N 2.99Å
279	T	96.5	Very high	96.8	Very high	74 Å²	74	32.1 Å²	32.1	45%	0.454	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-26.8	175.9	75.3	0	0	0	0	112.6	K263 N276 D281	K263-T279 PolarHBondContact NZ-O 3.37Å; N276-T279 PolarHBondContact OD1-N 3.41Å; N276-T279 PolarHBondContact OD1-OG1 3.22Å; T279-D281 VanDerWaalsContact C-N 3.31Å; T279-D281 WeakPolarHBondContact CB-OD2 3.41Å; T279-D281 WeakPolarHBondContact OG1-CB 3.48Å; T279-D281 VanDerWaalsContact OG1-CG 3.28Å; T279-D281 PolarHBondContact OG1-N 3.38Å; T279-D281 VanDerWaalsContact OG1-N 3.08Å; T279-D281 PolarHBondContact OG1-OD2 2.91Å
280	G	95.9	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.01	15%	0.151	C	C	.	.			trans	68.1	28	-168.6	0	0	0	0	0	113.4	K263 N276	K263-G280 VanDerWaalsContact CD-O 3.22Å; K263-G280 WeakPolarHBondContact CD-O 3.3Å; K263-G280 WeakPolarHBondContact CE-O 3.31Å; K263-G280 VanDerWaalsContact NZ-C 3.25Å; K263-G280 PolarHBondContact NZ-O 3.28Å; N276-G280 WeakPolarHBondContact O-CA 3.45Å; N276-G280 PolarHBondContact O-N 3.39Å
281	D	96.7	Very high	96.4	Very high	98 Å²	98	31.7 Å²	31.7	52%	0.524	17%	0.165	S	C	.	.			trans	-85.3	140.9	171.9	-67.6	-56.2	0	0	0	110.9	I275 N276 T279 V283	I275-D281 WeakPolarHBondContact CA-O 3.31Å; N276-D281 PolarHBondContact N-O 3.08Å; T279-D281 VanDerWaalsContact C-N 3.31Å; T279-D281 WeakPolarHBondContact CB-OD2 3.41Å; T279-D281 WeakPolarHBondContact OG1-CB 3.48Å; T279-D281 VanDerWaalsContact OG1-CG 3.28Å; T279-D281 PolarHBondContact OG1-N 3.38Å; T279-D281 VanDerWaalsContact OG1-N 3.08Å; T279-D281 PolarHBondContact OG1-OD2 2.91Å; D281-V283 PolarHBondContact O-N 2.94Å
282	W	97.4	Very high	96.2	Very high	23 Å²	23	32.3 Å²	32.3	9%	0.087	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	115	172.4	-63.2	109.7	0	0	0	109.8	T227 L260 K263 V271 G272 I275 K285 I338	T227-W282 WeakPolarHBondContact OG1-CZ3 3.26Å; L260-W282 HydrophobicContact CD2-CH2 4.36Å; K263-W282 HydrophobicContact CB-CZ2 4Å; K263-W282 PolarHBondContact O-NE1 3.09Å; V271-W282 HydrophobicContact CB-CH2 3.63Å; V271-W282 HydrophobicContact CB-CZ2 3.84Å; V271-W282 HydrophobicContact CB-CZ3 4.41Å; V271-W282 HydrophobicContact CG1-CH2 3.96Å; V271-W282 HydrophobicContact CG1-CZ2 3.85Å; G272-W282 VanDerWaalsContact CA-CE3 3.4Å; G272-W282 VanDerWaalsContact N-CE3 3.27Å; G272-W282 VanDerWaalsContact N-CZ3 3.26Å; G272-W282 WeakPolarHBondContact O-CZ3 3.24Å; I275-W282 HydrophobicContact CB-CE3 3.81Å; I275-W282 HydrophobicContact CB-CH2 4.42Å; I275-W282 HydrophobicContact CB-CZ3 3.69Å; I275-W282 HydrophobicContact CD1-CD2 4.49Å; I275-W282 HydrophobicContact CD1-CE3 4.32Å; I275-W282 HydrophobicContact CD1-CH2 3.96Å; I275-W282 HydrophobicContact CD1-CZ2 4.14Å; I275-W282 HydrophobicContact CD1-CZ3 4.06Å; I275-W282 HydrophobicContact CG1-CE3 4.26Å; I275-W282 HydrophobicContact CG1-CZ3 4.28Å; I275-W282 HydrophobicContact CG2-CZ3 4.37Å; W282-K285 HydrophobicContact CB-CG 3.87Å; W282-K285 WeakPolarHBondContact O-CE 3.47Å; W282-I338 HydrophobicContact CB-CD1 4.08Å; W282-I338 HydrophobicContact CD2-CD1 4.37Å; W282-I338 HydrophobicContact CG-CD1 3.73Å
283	V	96.4	Very high	96.2	Very high	75 Å²	75	32.4 Å²	32.4	46%	0.455	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-54.5	174.5	178.2	0	0	0	0	108.5	T274 N276 D281	T274-V283 HydrophobicContact CG2-CB 4.37Å; T274-V283 PolarHBondContact O-N 3.11Å; N276-V283 HydrophobicContact CB-CG2 4.17Å; D281-V283 PolarHBondContact O-N 2.94Å
284	R	95.6	Very high	96.2	Very high	105 Å²	105	33.1 Å²	33.1	40%	0.396	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.8	169.4	-75.1	-172.4	58.2	-173	-2.9	110.4	G272 V273 T274 D286	G272-R284 WeakPolarHBondContact CA-O 3.44Å; V273-R284 HydrophobicContact CB-CB 4.04Å; V273-R284 PolarHBondContact N-O 2.89Å; T274-R284 PolarHBondContact O-N 2.72Å; T274-R284 WeakPolarHBondContact OG1-CD 3.31Å; R284-D286 WeakPolarHBondContact CB-OD1 3.28Å; R284-D286 IonicContact CZ-OD1 3.78Å; R284-D286 IonicContact CZ-OD2 3.31Å; R284-D286 IonicContact NE-OD1 3.76Å; R284-D286 PolarHBondContact NE-OD1 2.87Å; R284-D286 IonicContact NE-OD2 3.14Å; R284-D286 IonicContact NH2-OD1 3.43Å; R284-D286 IonicContact NH2-OD2 2.67Å; R284-D286 PolarHBondContact NH2-OD2 2.83Å
285	K	95.6	Very high	96.2	Very high	104 Å²	104	32 Å²	32	45%	0.452	17%	0.169	S	C	.	.			trans	-111.6	5.3	-168.8	-62.8	171.6	-172	177.5	0	113	W282 H337 I338	W282-K285 HydrophobicContact CB-CG 3.87Å; W282-K285 WeakPolarHBondContact O-CE 3.47Å; K285-H337 WeakPolarHBondContact O-CA 3.37Å; K285-I338 HydrophobicContact CB-CD1 4.32Å; K285-I338 HydrophobicContact CB-CG1 4.35Å; K285-I338 HydrophobicContact CG-CD1 4.37Å; K285-I338 PolarHBondContact O-N 3.04Å
286	D	95.4	Very high	96.2	Very high	20 Å²	20	32 Å²	32	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	153.2	157.6	55.3	-49.6	0	0	0	110.5	G272 V273 R284 V336 A345 R346	G272-D286 WeakPolarHBondContact CA-O 3.35Å; V273-D286 WeakPolarHBondContact CG2-OD2 3.13Å; V273-D286 PolarHBondContact N-O 2.7Å; R284-D286 WeakPolarHBondContact CB-OD1 3.28Å; R284-D286 IonicContact CZ-OD1 3.78Å; R284-D286 IonicContact CZ-OD2 3.31Å; R284-D286 IonicContact NE-OD1 3.76Å; R284-D286 PolarHBondContact NE-OD1 2.87Å; R284-D286 IonicContact NE-OD2 3.14Å; R284-D286 IonicContact NH2-OD1 3.43Å; R284-D286 IonicContact NH2-OD2 2.67Å; R284-D286 PolarHBondContact NH2-OD2 2.83Å; D286-V336 CarbonylContact C-O 3.55Å; D286-A345 HydrophobicContact CB-CB 3.56Å; D286-R346 IonicContact OD2-CZ 3.62Å; D286-R346 IonicContact OD2-NE 3.92Å; D286-R346 PolarHBondContact OD2-NE 3.39Å; D286-R346 IonicContact OD2-NH2 3.55Å; D286-R346 PolarHBondContact OD2-NH2 3.1Å
287	S	96.9	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	130.7	-174.5	-172.8	0	0	0	0	110	V271 D335 V336 I338	V271-S287 WeakPolarHBondContact O-CB 3.32Å; V271-S287 PolarHBondContact O-OG 3.04Å; S287-D335 CarbonylContact O-C 3.52Å; S287-D335 VanDerWaalsContact O-CA 3.24Å; S287-D335 WeakPolarHBondContact O-CA 3.37Å; S287-V336 PolarHBondContact N-O 2.96Å; S287-V336 PolarHBondContact O-N 2.85Å; S287-I338 VanDerWaalsContact CB-CG2 3.43Å
288	G	95.5	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.			trans	-156.2	-168	-177	0	0	0	0	0	109.3	D335	G288-D335 WeakPolarHBondContact CA-OD1 3.46Å
289	V	96.1	Very high	96.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.149	C	C	.	.	S	Bend	trans	-97.7	-8.5	170.4	-67.8	0	0	0	0	112.9	D294 I323 I327 L333 L353 F355 F356	V289-D294 VanDerWaalsContact O-CA 3.26Å; V289-D294 WeakPolarHBondContact O-CA 3.2Å; V289-D294 WeakPolarHBondContact O-CB 3.27Å; V289-D294 PolarHBondContact O-N 2.88Å; V289-I323 HydrophobicContact CG1-CD1 4.08Å; V289-I323 HydrophobicContact CG1-CG1 4.22Å; V289-I323 HydrophobicContact CG1-CG2 3.56Å; V289-I327 HydrophobicContact CG1-CG2 4.48Å; V289-L333 HydrophobicContact CG2-CB 4Å; V289-L333 HydrophobicContact CG2-CD1 4.15Å; V289-L333 HydrophobicContact CG2-CD2 4.42Å; V289-L333 HydrophobicContact CG2-CG 4.42Å; V289-L353 HydrophobicContact CG2-CB 3.92Å; V289-F355 HydrophobicContact CB-CE1 4.47Å; V289-F355 VanDerWaalsContact O-CE1 3.23Å; V289-F355 WeakPolarHBondContact O-CE1 3.38Å; V289-F356 HydrophobicContact CB-CD2 4.08Å; V289-F356 HydrophobicContact CB-CE2 4.45Å; V289-F356 HydrophobicContact CB-CG 4.27Å; V289-F356 HydrophobicContact CG1-CD1 4.39Å; V289-F356 HydrophobicContact CG1-CD2 3.8Å; V289-F356 HydrophobicContact CG1-CE1 4.28Å; V289-F356 HydrophobicContact CG1-CE2 3.68Å; V289-F356 HydrophobicContact CG1-CG 4.17Å; V289-F356 HydrophobicContact CG1-CZ 3.94Å; V289-F356 HydrophobicContact CG2-CG 4.44Å
290	G	93.6	Very high	96.5	Very high	4 Å²	4	24.3 Å²	24.3	4%	0.041	13%	0.128	C	C	.	.	S	Bend	trans	-86.8	-156.3	-177.5	0	0	0	0	0	114.6	G292 I293 D294 D350	G290-G292 PolarHBondContact O-N 3.47Å; G290-I293 PolarHBondContact O-N 2.83Å; G290-D294 PolarHBondContact O-N 3.44Å; G290-D350 WeakPolarHBondContact CA-OD1 3.12Å
291	A	92.7	Very high	96.6	Very high	36 Å²	36	24.7 Å²	24.7	30%	0.298	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-37.5	111.9	-168.8	0	0	0	0	0	115.8	D294 D350 L352	A291-D294 WeakPolarHBondContact CA-OD2 3.28Å; A291-D294 PolarHBondContact N-OD2 3.09Å; A291-D350 PolarHBondContact N-OD1 2.73Å; A291-D350 VanDerWaalsContact N-OD1 3.12Å; A291-D350 PolarHBondContact N-OD2 2.67Å; A291-L352 HydrophobicContact CB-CD1 3.84Å
292	G	93.9	Very high	96.7	Very high	14 Å²	14	20.2 Å²	20.2	14%	0.144	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	5.6	171.4	0	0	0	0	0	115.2	T227 A228 G290 D294	T227-G292 PolarHBondContact N-O 2.72Å; A228-G292 PolarHBondContact N-O 2.76Å; G290-G292 PolarHBondContact O-N 3.47Å; G292-D294 PolarHBondContact N-OD2 2.93Å
293	I	97.6	Very high	96.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.1	-45.2	169.4	-49.4	178.1	0	0	0	110.7	T227 V271 V273 G290 S295 Y296 Y297	T227-I293 HydrophobicContact CG2-CG2 4.1Å; V271-I293 HydrophobicContact CG2-CG2 3.8Å; V273-I293 HydrophobicContact CB-CD1 4.45Å; V273-I293 HydrophobicContact CB-CG1 4.41Å; V273-I293 HydrophobicContact CG2-CD1 3.76Å; V273-I293 HydrophobicContact CG2-CG1 4.03Å; G290-I293 PolarHBondContact O-N 2.83Å; I293-S295 PolarHBondContact O-N 2.84Å; I293-S295 VanDerWaalsContact O-N 3.12Å; I293-Y296 HydrophobicContact CG2-CD1 4.47Å; I293-Y296 WeakPolarHBondContact O-CB 3.37Å; I293-Y296 PolarHBondContact O-N 2.72Å; I293-Y297 HydrophobicContact CB-CE2 4.36Å; I293-Y297 HydrophobicContact CG2-CD2 4.01Å; I293-Y297 HydrophobicContact CG2-CE1 4.32Å; I293-Y297 HydrophobicContact CG2-CE2 3.37Å
294	D	97.2	Very high	96.6	Very high	20 Å²	20	18.5 Å²	18.5	11%	0.107	9%	0.091	C	C	.	.	H	α-helix	trans	5.2	-86	161.2	42.4	45.4	0	0	0	116.7	A228 V289 G290 A291 G292 Y296 Y297 E298 F355	A228-D294 VanDerWaalsContact CB-OD1 3.25Å; A228-D294 WeakPolarHBondContact CB-OD1 3.43Å; V289-D294 VanDerWaalsContact O-CA 3.26Å; V289-D294 WeakPolarHBondContact O-CA 3.2Å; V289-D294 WeakPolarHBondContact O-CB 3.27Å; V289-D294 PolarHBondContact O-N 2.88Å; G290-D294 PolarHBondContact O-N 3.44Å; A291-D294 WeakPolarHBondContact CA-OD2 3.28Å; A291-D294 PolarHBondContact N-OD2 3.09Å; G292-D294 PolarHBondContact N-OD2 2.93Å; D294-Y296 VanDerWaalsContact C-N 3.31Å; D294-Y296 PolarHBondContact O-N 3.28Å; D294-Y297 PolarHBondContact O-N 2.87Å; D294-E298 PolarHBondContact O-N 3.1Å; D294-F355 HydrophobicContact CB-CE1 3.98Å; D294-F355 HydrophobicContact CB-CZ 4Å; D294-F355 WeakPolarHBondContact O-CE2 3.3Å; D294-F355 VanDerWaalsContact O-CZ 3.32Å; D294-F355 WeakPolarHBondContact O-CZ 3.41Å
295	S	98.1	Very high	96.6	Very high	3 Å²	3	16 Å²	16	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-75	-12.7	-169.3	57.6	0	0	0	0	114.3	A228 T232 I293 E298 Y299 T492	A228-S295 WeakPolarHBondContact CB-OG 3.46Å; T232-S295 WeakPolarHBondContact CG2-OG 3.4Å; T232-S295 WeakPolarHBondContact OG1-CB 3.49Å; T232-S295 PolarHBondContact OG1-O 2.94Å; T232-S295 PolarHBondContact OG1-OG 3.18Å; I293-S295 PolarHBondContact O-N 2.84Å; I293-S295 VanDerWaalsContact O-N 3.12Å; S295-E298 WeakPolarHBondContact O-CB 3.18Å; S295-E298 PolarHBondContact O-N 2.82Å; S295-Y299 WeakPolarHBondContact O-CB 3.37Å; S295-Y299 WeakPolarHBondContact O-CD1 3.3Å; S295-Y299 PolarHBondContact O-N 3.42Å; S295-T492 WeakPolarHBondContact CB-OG1 3.23Å
296	Y	98.6	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.9	-42.7	168.1	160.2	-101.3	0	0	0	111	T227 T232 L257 L260 V271 I293 D294 E298 Y299 L300	T227-Y296 HydrophobicContact CG2-CD1 3.78Å; T227-Y296 HydrophobicContact CG2-CD2 4.35Å; T227-Y296 HydrophobicContact CG2-CE1 4.36Å; T227-Y296 HydrophobicContact CG2-CG 3.77Å; T232-Y296 PolarHBondContact OG1-N 3.29Å; L257-Y296 HydrophobicContact CD2-CD2 3.59Å; L257-Y296 HydrophobicContact CD2-CE2 3.53Å; L260-Y296 HydrophobicContact CB-CE2 3.95Å; L260-Y296 HydrophobicContact CD1-CD2 3.91Å; L260-Y296 HydrophobicContact CD1-CE2 3.89Å; V271-Y296 HydrophobicContact CG1-CE1 4.4Å; V271-Y296 HydrophobicContact CG2-CD1 4.26Å; V271-Y296 HydrophobicContact CG2-CE1 3.98Å; I293-Y296 HydrophobicContact CG2-CD1 4.47Å; I293-Y296 WeakPolarHBondContact O-CB 3.37Å; I293-Y296 PolarHBondContact O-N 2.72Å; D294-Y296 VanDerWaalsContact C-N 3.31Å; D294-Y296 PolarHBondContact O-N 3.28Å; Y296-E298 VanDerWaalsContact C-N 3.33Å; Y296-Y299 PolarHBondContact O-N 2.58Å; Y296-L300 HydrophobicContact CE1-CD1 4.04Å; Y296-L300 HydrophobicContact CE2-CD1 4.24Å; Y296-L300 HydrophobicContact CE2-CG 4.44Å; Y296-L300 WeakPolarHBondContact O-CG 3.21Å; Y296-L300 PolarHBondContact O-N 3.14Å
297	Y	98.4	Very high	96.3	Very high	1 Å²	1	11.2 Å²	11.2	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-67.6	-38	175.7	-62.1	-47	0	0	0	111.7	V271 I293 D294 L300 L301 F316 H319 I323	V271-Y297 HydrophobicContact CG2-CE1 4.06Å; V271-Y297 WeakPolarHBondContact CG2-OH 3.19Å; I293-Y297 HydrophobicContact CB-CE2 4.36Å; I293-Y297 HydrophobicContact CG2-CD2 4.01Å; I293-Y297 HydrophobicContact CG2-CE1 4.32Å; I293-Y297 HydrophobicContact CG2-CE2 3.37Å; D294-Y297 PolarHBondContact O-N 2.87Å; Y297-L300 PolarHBondContact O-N 2.9Å; Y297-L301 PolarHBondContact O-N 3.11Å; Y297-F316 WeakPolarHBondContact O-CD2 3.3Å; Y297-H319 HydrophobicContact CD1-CB 3.81Å; Y297-H319 HydrophobicContact CE1-CB 3.6Å; Y297-H319 AromaticContact CE1-CG 3.66Å; Y297-H319 AromaticContact CE1-ND1 3.95Å; Y297-I323 HydrophobicContact CD1-CD1 4.28Å; Y297-I323 HydrophobicContact CD2-CD1 3.8Å; Y297-I323 HydrophobicContact CE1-CD1 4.2Å; Y297-I323 HydrophobicContact CE2-CD1 3.67Å; Y297-I323 HydrophobicContact CE2-CG1 4.32Å; Y297-I323 HydrophobicContact CG-CD1 4.09Å
298	E	98.6	Very high	95.9	Very high	3 Å²	3	13 Å²	13	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-57.2	-49.9	173.9	-161.6	-154.3	125.5	0	0	111.6	D294 S295 Y296 L300 L301 K302 F355 L359 T492	D294-E298 PolarHBondContact O-N 3.1Å; S295-E298 WeakPolarHBondContact O-CB 3.18Å; S295-E298 PolarHBondContact O-N 2.82Å; Y296-E298 VanDerWaalsContact C-N 3.33Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 3.2Å; E298-L301 PolarHBondContact O-N 3.07Å; E298-L301 VanDerWaalsContact O-N 3.12Å; E298-K302 HydrophobicContact CG-CD 3.86Å; E298-K302 HydrophobicContact CG-CG 4.41Å; E298-K302 PolarHBondContact O-N 3.32Å; E298-K302 WeakPolarHBondContact OE1-CD 3.22Å; E298-K302 WeakPolarHBondContact OE1-CE 3.44Å; E298-K302 IonicContact OE1-NZ 3.56Å; E298-K302 PolarHBondContact OE1-NZ 3.3Å; E298-F355 HydrophobicContact CB-CD2 4.46Å; E298-F355 HydrophobicContact CB-CE2 4.04Å; E298-F355 HydrophobicContact CG-CD2 4.38Å; E298-F355 HydrophobicContact CG-CE2 4.42Å; E298-L359 HydrophobicContact CB-CD1 4.43Å; E298-L359 HydrophobicContact CB-CD2 4.34Å; E298-L359 HydrophobicContact CG-CD1 4.18Å; E298-T492 VanDerWaalsContact OE1-CA 3.26Å; E298-T492 WeakPolarHBondContact OE1-CA 3.46Å; E298-T492 WeakPolarHBondContact OE1-CB 3.46Å; E298-T492 PolarHBondContact OE1-N 3.2Å; E298-T492 VanDerWaalsContact OE2-CB 3.26Å; E298-T492 WeakPolarHBondContact OE2-CB 3.43Å; E298-T492 PolarHBondContact OE2-OG1 3.37Å
299	Y	98.6	Very high	95.6	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.6	-22.9	-174.8	-85.7	34.4	0	0	0	112.6	T232 I234 L235 E236 S295 Y296 A303 T491 T492	T232-Y299 VanDerWaalsContact CA-CD2 3.46Å; T232-Y299 HydrophobicContact CG2-CD1 3.83Å; T232-Y299 HydrophobicContact CG2-CD2 3.71Å; T232-Y299 HydrophobicContact CG2-CE1 3.62Å; T232-Y299 HydrophobicContact CG2-CE2 3.46Å; T232-Y299 VanDerWaalsContact CG2-CE2 3.46Å; T232-Y299 HydrophobicContact CG2-CG 3.89Å; T232-Y299 VanDerWaalsContact CG2-CZ 3.41Å; I234-Y299 HydrophobicContact CG2-CD2 3.9Å; I234-Y299 HydrophobicContact CG2-CG 4.42Å; L235-Y299 HydrophobicContact CB-CD2 4.31Å; L235-Y299 HydrophobicContact CB-CE2 3.84Å; L235-Y299 HydrophobicContact CD1-CD1 3.87Å; L235-Y299 HydrophobicContact CD1-CD2 4.13Å; L235-Y299 HydrophobicContact CD1-CE1 3.53Å; L235-Y299 HydrophobicContact CD1-CE2 3.83Å; L235-Y299 HydrophobicContact CD1-CG 4.15Å; L235-Y299 HydrophobicContact CG-CD1 4.29Å; L235-Y299 HydrophobicContact CG-CD2 3.7Å; L235-Y299 HydrophobicContact CG-CE1 4.2Å; L235-Y299 HydrophobicContact CG-CE2 3.61Å; L235-Y299 HydrophobicContact CG-CG 4.05Å; E236-Y299 PolarHBondContact OE1-OH 2.97Å; E236-Y299 WeakPolarHBondContact OE2-CE2 3.3Å; S295-Y299 WeakPolarHBondContact O-CB 3.37Å; S295-Y299 WeakPolarHBondContact O-CD1 3.3Å; S295-Y299 PolarHBondContact O-N 3.42Å; Y296-Y299 PolarHBondContact O-N 2.58Å; Y299-A303 WeakPolarHBondContact O-CA 3.45Å; Y299-A303 WeakPolarHBondContact O-CB 3.46Å; Y299-A303 PolarHBondContact O-N 3.13Å; Y299-T491 WeakPolarHBondContact OH-CB 3.36Å; Y299-T492 HydrophobicContact CE1-CG2 4.35Å; Y299-T492 PolarHBondContact OH-N 3.44Å; Y299-T492 VanDerWaalsContact OH-N 3.11Å
300	L	98.5	Very high	95.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-43.3	167.6	-67	174.3	0	0	0	111.9	L257 Y296 Y297 E298 Y304 F312 R315 F316	L257-L300 HydrophobicContact CD2-CD2 4.37Å; Y296-L300 HydrophobicContact CE1-CD1 4.04Å; Y296-L300 HydrophobicContact CE2-CD1 4.24Å; Y296-L300 HydrophobicContact CE2-CG 4.44Å; Y296-L300 WeakPolarHBondContact O-CG 3.21Å; Y296-L300 PolarHBondContact O-N 3.14Å; Y297-L300 PolarHBondContact O-N 2.9Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 3.2Å; L300-Y304 PolarHBondContact O-N 3.23Å; L300-F312 HydrophobicContact CD2-CD1 4.01Å; L300-F312 WeakPolarHBondContact O-CB 3.33Å; L300-R315 HydrophobicContact CD1-CB 3.99Å; L300-R315 HydrophobicContact CD2-CB 3.98Å; L300-F316 HydrophobicContact CB-CB 3.85Å; L300-F316 HydrophobicContact CB-CD2 4.5Å
301	L	98.1	Very high	95.5	Very high	9 Å²	9	21.4 Å²	21.4	5%	0.047	13%	0.132	C	C	.	.	H	α-helix	trans	-74.4	-46	176.6	-174.2	58	0	0	0	111.8	Y297 E298 A303 Y304 V305 L313 F316 L359 L362 K363	Y297-L301 PolarHBondContact O-N 3.11Å; E298-L301 PolarHBondContact O-N 3.07Å; E298-L301 VanDerWaalsContact O-N 3.12Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.16Å; L301-Y304 WeakPolarHBondContact O-CB 3.41Å; L301-Y304 PolarHBondContact O-N 2.83Å; L301-V305 PolarHBondContact O-N 3.3Å; L301-L313 HydrophobicContact CD1-CD1 4.1Å; L301-F316 HydrophobicContact CB-CD1 4.06Å; L301-F316 HydrophobicContact CB-CD2 3.89Å; L301-F316 HydrophobicContact CB-CE1 4.2Å; L301-F316 HydrophobicContact CB-CE2 4.06Å; L301-F316 HydrophobicContact CB-CG 3.89Å; L301-F316 HydrophobicContact CB-CZ 4.2Å; L301-F316 HydrophobicContact CD1-CD1 3.87Å; L301-F316 HydrophobicContact CD1-CE1 4.06Å; L301-F316 HydrophobicContact CD1-CG 4.44Å; L301-F316 HydrophobicContact CD2-CD1 4.35Å; L301-F316 HydrophobicContact CD2-CE1 3.78Å; L301-F316 HydrophobicContact CD2-CE2 4.48Å; L301-F316 HydrophobicContact CD2-CZ 3.86Å; L301-F316 HydrophobicContact CG-CD1 4.3Å; L301-F316 HydrophobicContact CG-CE1 4.23Å; L301-L359 HydrophobicContact CB-CD1 4.05Å; L301-L359 HydrophobicContact CD2-CD1 3.88Å; L301-L362 HydrophobicContact CD2-CB 3.99Å; L301-L362 HydrophobicContact CD2-CD2 3.96Å; L301-L362 HydrophobicContact CD2-CG 3.76Å; L301-L362 HydrophobicContact CG-CD2 4.18Å; L301-L362 HydrophobicContact CG-CG 4.29Å; L301-K363 HydrophobicContact CD2-CB 4.18Å
302	K	98	Very high	95.7	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-32.5	-178.7	-68.7	-175.4	173.8	178.2	0	112.4	L235 E298 V305 L306 L362 E409 I489 F490 T491	L235-K302 HydrophobicContact CD1-CB 3.83Å; L235-K302 HydrophobicContact CD1-CD 4.23Å; L235-K302 HydrophobicContact CD2-CB 4.15Å; E298-K302 HydrophobicContact CG-CD 3.86Å; E298-K302 HydrophobicContact CG-CG 4.41Å; E298-K302 PolarHBondContact O-N 3.32Å; E298-K302 WeakPolarHBondContact OE1-CD 3.22Å; E298-K302 WeakPolarHBondContact OE1-CE 3.44Å; E298-K302 IonicContact OE1-NZ 3.56Å; E298-K302 PolarHBondContact OE1-NZ 3.3Å; K302-V305 PolarHBondContact O-N 3.4Å; K302-L306 WeakPolarHBondContact O-CB 3.26Å; K302-L306 PolarHBondContact O-N 2.96Å; K302-L362 HydrophobicContact CG-CD2 3.98Å; K302-E409 IonicContact NZ-OE1 3.28Å; K302-I489 HydrophobicContact CB-CG1 4.25Å; K302-I489 HydrophobicContact CD-CG1 4.35Å; K302-I489 HydrophobicContact CG-CD1 4.22Å; K302-I489 HydrophobicContact CG-CG1 4.19Å; K302-F490 WeakPolarHBondContact CD-O 3.24Å; K302-F490 VanDerWaalsContact CE-O 3.25Å; K302-F490 WeakPolarHBondContact CE-O 3.48Å; K302-F490 PolarHBondContact NZ-O 3.42Å; K302-T491 PolarHBondContact NZ-O 2.92Å
303	A	96.7	Very high	95.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-72.8	-31	174.7	0	0	0	0	0	112.9	I234 L235 Y299 L301 L307 F312	I234-A303 HydrophobicContact CG1-CB 4.36Å; I234-A303 HydrophobicContact CG2-CB 3.85Å; L235-A303 HydrophobicContact CD2-CB 4.02Å; Y299-A303 WeakPolarHBondContact O-CA 3.45Å; Y299-A303 WeakPolarHBondContact O-CB 3.46Å; Y299-A303 PolarHBondContact O-N 3.13Å; L301-A303 VanDerWaalsContact C-N 3.33Å; L301-A303 PolarHBondContact O-N 3.16Å; A303-L307 HydrophobicContact CB-CD1 4.28Å; A303-L307 VanDerWaalsContact O-CB 3.24Å; A303-L307 WeakPolarHBondContact O-CB 3.39Å; A303-L307 WeakPolarHBondContact O-CG 3.41Å; A303-L307 PolarHBondContact O-N 2.61Å; A303-F312 HydrophobicContact CB-CD1 4.48Å; A303-F312 HydrophobicContact CB-CD2 3.91Å; A303-F312 HydrophobicContact CB-CE2 4.12Å; A303-F312 HydrophobicContact CB-CG 4.11Å
304	Y	95.9	Very high	95.8	Very high	63 Å²	63	25.9 Å²	25.9	25%	0.247	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-48.1	167.5	167.6	-108.3	0	0	0	110.8	L300 L301 L306 G308 D309 L313	L300-Y304 PolarHBondContact O-N 3.23Å; L301-Y304 WeakPolarHBondContact O-CB 3.41Å; L301-Y304 PolarHBondContact O-N 2.83Å; Y304-L306 PolarHBondContact O-N 3.37Å; Y304-G308 WeakPolarHBondContact O-CA 3.27Å; Y304-G308 PolarHBondContact O-N 2.96Å; Y304-D309 WeakPolarHBondContact CD2-O 3.48Å; Y304-L313 HydrophobicContact CD1-CB 4.16Å; Y304-L313 HydrophobicContact CD1-CD1 4.26Å; Y304-L313 HydrophobicContact CD1-CD2 4.28Å; Y304-L313 HydrophobicContact CD1-CG 4.46Å; Y304-L313 HydrophobicContact CD2-CB 3.67Å; Y304-L313 HydrophobicContact CD2-CD2 4.4Å; Y304-L313 HydrophobicContact CE1-CD1 4.49Å; Y304-L313 HydrophobicContact CE1-CD2 3.86Å; Y304-L313 HydrophobicContact CE2-CB 4.06Å; Y304-L313 HydrophobicContact CE2-CD2 3.99Å; Y304-L313 HydrophobicContact CG-CB 3.71Å; Y304-L313 HydrophobicContact CG-CG 4.49Å
305	V	94.4	Very high	95.8	Very high	51 Å²	51	26 Å²	26	31%	0.309	14%	0.142	S	C	.	.	H	α-helix	trans	-62.2	-43.3	178.9	176.6	0	0	0	0	111.9	L301 K302 I489 L499	L301-V305 PolarHBondContact O-N 3.3Å; K302-V305 PolarHBondContact O-N 3.4Å; V305-I489 HydrophobicContact CG1-CD1 4.33Å; V305-L499 HydrophobicContact CG1-CD2 3.82Å
306	L	93.8	Very high	95.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-78.7	-28.8	-177.1	-173.3	58.5	0	0	0	114.3	L235 K302 Y304 I489 L497 L501 S502	L235-L306 HydrophobicContact CB-CD2 4.32Å; L235-L306 HydrophobicContact CD2-CB 4.27Å; L235-L306 HydrophobicContact CD2-CD2 3.86Å; K302-L306 WeakPolarHBondContact O-CB 3.26Å; K302-L306 PolarHBondContact O-N 2.96Å; Y304-L306 PolarHBondContact O-N 3.37Å; L306-I489 HydrophobicContact CB-CG2 4.28Å; L306-I489 HydrophobicContact CD1-CG2 3.98Å; L306-I489 HydrophobicContact CD2-CG2 4.28Å; L306-I489 HydrophobicContact CG-CG2 4.41Å; L306-L497 HydrophobicContact CD2-CB 4.46Å; L306-L497 HydrophobicContact CD2-CD1 4.05Å; L306-L501 HydrophobicContact CD1-CB 4.14Å; L306-L501 HydrophobicContact CD1-CD1 4.32Å; L306-S502 WeakPolarHBondContact O-CA 3.2Å; L306-S502 WeakPolarHBondContact O-CB 3.36Å; L306-S502 PolarHBondContact O-N 2.94Å
307	L	91.7	Very high	95.8	Very high	23 Å²	23	28.3 Å²	28.3	12%	0.12	15%	0.154	C	C	.	.	H	α-helix	trans	-115.3	-12	-170.7	-53.5	173.1	0	0	0	114.3	I234 A238 A303 D309 F312	I234-L307 HydrophobicContact CG1-CD1 4.2Å; A238-L307 HydrophobicContact CB-CD1 4.03Å; A238-L307 HydrophobicContact CB-CD2 3.66Å; A238-L307 HydrophobicContact CB-CG 4.44Å; A303-L307 HydrophobicContact CB-CD1 4.28Å; A303-L307 VanDerWaalsContact O-CB 3.24Å; A303-L307 WeakPolarHBondContact O-CB 3.39Å; A303-L307 WeakPolarHBondContact O-CG 3.41Å; A303-L307 PolarHBondContact O-N 2.61Å; L307-D309 VanDerWaalsContact C-N 3.34Å; L307-D309 PolarHBondContact O-N 3.38Å; L307-F312 HydrophobicContact CD1-CE2 3.87Å
308	G	88.3	Confident	95.8	Very high	37 Å²	37	29.8 Å²	29.8	38%	0.381	16%	0.163	S	C	.	.			trans	61.9	40	179.3	0	0	0	0	0	113.2	Y304	Y304-G308 WeakPolarHBondContact O-CA 3.27Å; Y304-G308 PolarHBondContact O-N 2.96Å
309	D	89.8	Confident	95.8	Very high	43 Å²	43	29.7 Å²	29.7	23%	0.23	16%	0.163	C	C	.	.			trans	-119.1	101.7	-174.8	-178.2	-20.1	0	0	0	110.2	R254 Y304 L307 S311 F312	R254-D309 IonicContact CZ-OD2 3.98Å; R254-D309 IonicContact NH1-OD2 2.97Å; R254-D309 PolarHBondContact NH1-OD2 3.35Å; R254-D309 IonicContact NH2-OD2 2.85Å; R254-D309 PolarHBondContact NH2-OD2 3.17Å; Y304-D309 WeakPolarHBondContact CD2-O 3.48Å; L307-D309 VanDerWaalsContact C-N 3.34Å; L307-D309 PolarHBondContact O-N 3.38Å; D309-S311 PolarHBondContact O-N 2.65Å; D309-S311 WeakPolarHBondContact OD1-CB 3.36Å; D309-S311 PolarHBondContact OD1-N 3Å; D309-S311 VanDerWaalsContact OD1-N 3.1Å; D309-S311 PolarHBondContact OD1-OG 3.04Å; D309-F312 HydrophobicContact CB-CD2 3.91Å; D309-F312 HydrophobicContact CB-CE2 4.2Å; D309-F312 PolarHBondContact O-N 3.07Å
310	D	91.9	Very high	95.7	Very high	106 Å²	106	30 Å²	30	57%	0.567	16%	0.164	S	C	*	.	H	α-helix	trans	-56.1	-22.3	-174.5	-50.6	-54.2	0	0	0	113.3	F312 L313 E314	D310-F312 VanDerWaalsContact C-N 3.27Å; D310-F312 PolarHBondContact O-N 3.26Å; D310-L313 WeakPolarHBondContact O-CB 3.48Å; D310-L313 PolarHBondContact O-N 2.99Å; D310-L313 VanDerWaalsContact O-N 3.13Å; D310-E314 PolarHBondContact O-N 3.23Å
311	S	94.8	Very high	95.7	Very high	35 Å²	35	34.9 Å²	34.9	25%	0.245	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-26	179.2	74.6	0	0	0	0	113	D309 R315	D309-S311 PolarHBondContact O-N 2.65Å; D309-S311 WeakPolarHBondContact OD1-CB 3.36Å; D309-S311 PolarHBondContact OD1-N 3Å; D309-S311 VanDerWaalsContact OD1-N 3.1Å; D309-S311 PolarHBondContact OD1-OG 3.04Å; S311-R315 WeakPolarHBondContact O-CD 3.41Å; S311-R315 WeakPolarHBondContact O-CG 3.29Å; S311-R315 PolarHBondContact O-N 3.47Å; S311-R315 PolarHBondContact O-NE 3.32Å
312	F	97	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-74.9	-35.5	171.3	-65.5	-60.7	0	0	0	111.7	I234 L257 L300 A303 L307 D309 D310 R315 F316	I234-F312 HydrophobicContact CG1-CZ 4.14Å; L257-F312 HydrophobicContact CD1-CE1 3.8Å; L300-F312 HydrophobicContact CD2-CD1 4.01Å; L300-F312 WeakPolarHBondContact O-CB 3.33Å; A303-F312 HydrophobicContact CB-CD1 4.48Å; A303-F312 HydrophobicContact CB-CD2 3.91Å; A303-F312 HydrophobicContact CB-CE2 4.12Å; A303-F312 HydrophobicContact CB-CG 4.11Å; L307-F312 HydrophobicContact CD1-CE2 3.87Å; D309-F312 HydrophobicContact CB-CD2 3.91Å; D309-F312 HydrophobicContact CB-CE2 4.2Å; D309-F312 PolarHBondContact O-N 3.07Å; D310-F312 VanDerWaalsContact C-N 3.27Å; D310-F312 PolarHBondContact O-N 3.26Å; F312-R315 PolarHBondContact O-N 2.91Å; F312-F316 WeakPolarHBondContact O-CB 3.44Å; F312-F316 PolarHBondContact O-N 2.95Å
313	L	95.9	Very high	95.6	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.12	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-40.6	175.5	-179	62.2	0	0	0	112.1	L301 Y304 D310 R315 F316 N317 W527	L301-L313 HydrophobicContact CD1-CD1 4.1Å; Y304-L313 HydrophobicContact CD1-CB 4.16Å; Y304-L313 HydrophobicContact CD1-CD1 4.26Å; Y304-L313 HydrophobicContact CD1-CD2 4.28Å; Y304-L313 HydrophobicContact CD1-CG 4.46Å; Y304-L313 HydrophobicContact CD2-CB 3.67Å; Y304-L313 HydrophobicContact CD2-CD2 4.4Å; Y304-L313 HydrophobicContact CE1-CD1 4.49Å; Y304-L313 HydrophobicContact CE1-CD2 3.86Å; Y304-L313 HydrophobicContact CE2-CB 4.06Å; Y304-L313 HydrophobicContact CE2-CD2 3.99Å; Y304-L313 HydrophobicContact CG-CB 3.71Å; Y304-L313 HydrophobicContact CG-CG 4.49Å; D310-L313 WeakPolarHBondContact O-CB 3.48Å; D310-L313 PolarHBondContact O-N 2.99Å; D310-L313 VanDerWaalsContact O-N 3.13Å; L313-R315 VanDerWaalsContact C-N 3.33Å; L313-R315 PolarHBondContact O-N 3.3Å; L313-F316 HydrophobicContact CD1-CD1 4.49Å; L313-F316 PolarHBondContact O-N 3.11Å; L313-N317 WeakPolarHBondContact O-CB 3.38Å; L313-N317 PolarHBondContact O-N 3Å; L313-N317 PolarHBondContact O-ND2 3.48Å; L313-W527 HydrophobicContact CD2-CZ3 4.13Å
314	E	97.1	Very high	95.5	Very high	122 Å²	122	37.1 Å²	37.1	57%	0.57	20%	0.202	S	C	*	.	H	α-helix	trans	-58.5	-45.9	173.9	-170.9	-167.1	160.5	0	0	111	D310 T318	D310-E314 PolarHBondContact O-N 3.23Å; E314-T318 VanDerWaalsContact O-CB 3.31Å; E314-T318 WeakPolarHBondContact O-CB 3.34Å; E314-T318 PolarHBondContact O-N 3.48Å; E314-T318 PolarHBondContact O-OG1 2.95Å
315	R	98	Very high	95.5	Very high	23 Å²	23	42.8 Å²	42.8	9%	0.087	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-49.4	176.8	-66.4	173.6	-156.3	-157	8.1	111.5	L257 D258 W261 L300 S311 F312 L313 N317 T318 H319	L257-R315 PolarHBondContact O-NH1 2.79Å; D258-R315 IonicContact OD1-CZ 3.24Å; D258-R315 IonicContact OD1-NH1 3.6Å; D258-R315 PolarHBondContact OD1-NH1 2.98Å; D258-R315 IonicContact OD1-NH2 2.74Å; D258-R315 PolarHBondContact OD1-NH2 3.4Å; W261-R315 HydrophobicContact CD2-CB 4.41Å; W261-R315 HydrophobicContact CD2-CG 3.56Å; W261-R315 HydrophobicContact CE3-CB 3.96Å; W261-R315 HydrophobicContact CE3-CG 3.62Å; W261-R315 HydrophobicContact CG-CG 4.08Å; W261-R315 HydrophobicContact CH2-CB 4.28Å; W261-R315 HydrophobicContact CH2-CG 3.96Å; W261-R315 HydrophobicContact CZ2-CG 3.92Å; W261-R315 HydrophobicContact CZ3-CB 3.9Å; W261-R315 HydrophobicContact CZ3-CG 3.83Å; L300-R315 HydrophobicContact CD1-CB 3.99Å; L300-R315 HydrophobicContact CD2-CB 3.98Å; S311-R315 WeakPolarHBondContact O-CD 3.41Å; S311-R315 WeakPolarHBondContact O-CG 3.29Å; S311-R315 PolarHBondContact O-N 3.47Å; S311-R315 PolarHBondContact O-NE 3.32Å; F312-R315 PolarHBondContact O-N 2.91Å; L313-R315 VanDerWaalsContact C-N 3.33Å; L313-R315 PolarHBondContact O-N 3.3Å; R315-N317 PolarHBondContact O-N 3.5Å; R315-T318 PolarHBondContact O-N 2.86Å; R315-H319 PolarHBondContact O-CD2 3.01Å; R315-H319 PolarHBondContact O-N 3.22Å
316	F	98.4	Very high	95.6	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-50.8	177.6	174.5	-107.6	0	0	0	111.5	Y297 L300 L301 F312 L313 T318 H319 Y320 L359 K363	Y297-F316 WeakPolarHBondContact O-CD2 3.3Å; L300-F316 HydrophobicContact CB-CB 3.85Å; L300-F316 HydrophobicContact CB-CD2 4.5Å; L301-F316 HydrophobicContact CB-CD1 4.06Å; L301-F316 HydrophobicContact CB-CD2 3.89Å; L301-F316 HydrophobicContact CB-CE1 4.2Å; L301-F316 HydrophobicContact CB-CE2 4.06Å; L301-F316 HydrophobicContact CB-CG 3.89Å; L301-F316 HydrophobicContact CB-CZ 4.2Å; L301-F316 HydrophobicContact CD1-CD1 3.87Å; L301-F316 HydrophobicContact CD1-CE1 4.06Å; L301-F316 HydrophobicContact CD1-CG 4.44Å; L301-F316 HydrophobicContact CD2-CD1 4.35Å; L301-F316 HydrophobicContact CD2-CE1 3.78Å; L301-F316 HydrophobicContact CD2-CE2 4.48Å; L301-F316 HydrophobicContact CD2-CZ 3.86Å; L301-F316 HydrophobicContact CG-CD1 4.3Å; L301-F316 HydrophobicContact CG-CE1 4.23Å; F312-F316 WeakPolarHBondContact O-CB 3.44Å; F312-F316 PolarHBondContact O-N 2.95Å; L313-F316 HydrophobicContact CD1-CD1 4.49Å; L313-F316 PolarHBondContact O-N 3.11Å; F316-T318 VanDerWaalsContact C-N 3.34Å; F316-T318 PolarHBondContact O-N 3.02Å; F316-H319 PolarHBondContact O-N 2.66Å; F316-Y320 HydrophobicContact CE1-CD2 4.43Å; F316-Y320 HydrophobicContact CE2-CD2 4.42Å; F316-Y320 AromaticContact CZ-CD2 3.86Å; F316-Y320 HydrophobicContact CZ-CD2 3.86Å; F316-Y320 HydrophobicContact CZ-CG 4.41Å; F316-Y320 VanDerWaalsContact O-CB 3.3Å; F316-Y320 WeakPolarHBondContact O-CB 3.41Å; F316-Y320 PolarHBondContact O-N 2.64Å; F316-L359 HydrophobicContact CE2-CD1 4.47Å; F316-L359 HydrophobicContact CE2-CD2 4.01Å; F316-L359 HydrophobicContact CE2-CG 4.19Å; F316-L359 HydrophobicContact CZ-CG 4.33Å; F316-K363 HydrophobicContact CE1-CB 4.03Å; F316-K363 HydrophobicContact CE1-CD 3.83Å; F316-K363 HydrophobicContact CE1-CG 3.87Å; F316-K363 HydrophobicContact CZ-CB 4.31Å; F316-K363 HydrophobicContact CZ-CD 4.23Å; F316-K363 HydrophobicContact CZ-CG 4.49Å
317	N	98	Very high	95.7	Very high	50 Å²	50	42 Å²	42	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-61.5	-42.2	179.2	-74.4	-30.5	0	0	0	111.7	L313 R315 H319 Y320 D321 K363	L313-N317 WeakPolarHBondContact O-CB 3.38Å; L313-N317 PolarHBondContact O-N 3Å; L313-N317 PolarHBondContact O-ND2 3.48Å; R315-N317 PolarHBondContact O-N 3.5Å; N317-H319 VanDerWaalsContact C-N 3.31Å; N317-H319 PolarHBondContact O-N 3.11Å; N317-Y320 PolarHBondContact O-N 2.82Å; N317-D321 WeakPolarHBondContact O-CB 3.37Å; N317-D321 VanDerWaalsContact O-CG 3.31Å; N317-D321 PolarHBondContact O-N 3.4Å; N317-K363 PolarHBondContact OD1-NZ 2.86Å
318	T	98.3	Very high	95.7	Very high	32 Å²	32	41.7 Å²	41.7	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-37.6	177	-59.8	0	0	0	0	112.9	W261 N269 E314 R315 F316	W261-T318 HydrophobicContact CH2-CG2 3.71Å; W261-T318 HydrophobicContact CZ3-CG2 3.99Å; N269-T318 HydrophobicContact CB-CG2 3.86Å; N269-T318 VanDerWaalsContact CG-CG2 3.43Å; N269-T318 WeakPolarHBondContact ND2-CG2 3.33Å; E314-T318 VanDerWaalsContact O-CB 3.31Å; E314-T318 WeakPolarHBondContact O-CB 3.34Å; E314-T318 PolarHBondContact O-N 3.48Å; E314-T318 PolarHBondContact O-OG1 2.95Å; R315-T318 PolarHBondContact O-N 2.86Å; F316-T318 VanDerWaalsContact C-N 3.34Å; F316-T318 PolarHBondContact O-N 3.02Å
319	H	98.2	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-76.1	-38.7	173.5	-71.7	-58	0	0	0	112.4	R264 N269 V271 Y297 R315 F316 N317 D321 A322 I323	R264-H319 WeakPolarHBondContact CB-NE2 3.36Å; R264-H319 WeakPolarHBondContact CD-NE2 3.38Å; N269-H319 PolarHBondContact O-CE1 3.16Å; N269-H319 PolarHBondContact O-ND1 2.94Å; N269-H319 PolarHBondContact O-NE2 2.93Å; V271-H319 VanDerWaalsContact CG1-NE2 3.26Å; V271-H319 WeakPolarHBondContact CG1-NE2 3.38Å; Y297-H319 HydrophobicContact CD1-CB 3.81Å; Y297-H319 HydrophobicContact CE1-CB 3.6Å; Y297-H319 AromaticContact CE1-CG 3.66Å; Y297-H319 AromaticContact CE1-ND1 3.95Å; R315-H319 PolarHBondContact O-CD2 3.01Å; R315-H319 PolarHBondContact O-N 3.22Å; F316-H319 PolarHBondContact O-N 2.66Å; N317-H319 VanDerWaalsContact C-N 3.31Å; N317-H319 PolarHBondContact O-N 3.11Å; H319-D321 PolarHBondContact O-N 2.82Å; H319-A322 WeakPolarHBondContact O-CB 3.39Å; H319-A322 PolarHBondContact O-N 3.39Å; H319-A322 VanDerWaalsContact O-N 3.14Å; H319-I323 WeakPolarHBondContact O-CD1 3.32Å; H319-I323 VanDerWaalsContact O-CG1 3.29Å; H319-I323 WeakPolarHBondContact O-CG1 3.36Å; H319-I323 PolarHBondContact O-N 3.4Å
320	Y	97.9	Very high	95	Very high	6 Å²	6	45.3 Å²	45.3	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-46.1	178.2	-169.8	-93.2	0	0	0	111.9	F316 N317 A322 I323 M324 F356 Q360 K363 D365	F316-Y320 HydrophobicContact CE1-CD2 4.43Å; F316-Y320 HydrophobicContact CE2-CD2 4.42Å; F316-Y320 AromaticContact CZ-CD2 3.86Å; F316-Y320 HydrophobicContact CZ-CD2 3.86Å; F316-Y320 HydrophobicContact CZ-CG 4.41Å; F316-Y320 VanDerWaalsContact O-CB 3.3Å; F316-Y320 WeakPolarHBondContact O-CB 3.41Å; F316-Y320 PolarHBondContact O-N 2.64Å; N317-Y320 PolarHBondContact O-N 2.82Å; Y320-A322 PolarHBondContact O-N 2.63Å; Y320-I323 PolarHBondContact O-N 2.92Å; Y320-M324 HydrophobicContact CD1-CG 3.84Å; Y320-M324 HydrophobicContact CE1-CG 3.36Å; Y320-M324 HydrophobicContact CE1-SD 4.34Å; Y320-M324 HydrophobicContact CE2-CG 4.23Å; Y320-M324 HydrophobicContact CG-CG 4.48Å; Y320-M324 WeakPolarHBondContact O-CB 3.48Å; Y320-M324 WeakPolarHBondContact O-CG 3.32Å; Y320-M324 PolarHBondContact O-N 3.47Å; Y320-F356 HydrophobicContact CD2-CZ 4.12Å; Y320-F356 HydrophobicContact CE2-CE1 4.34Å; Y320-F356 AromaticContact CE2-CZ 3.77Å; Y320-F356 HydrophobicContact CE2-CZ 3.77Å; Y320-Q360 HydrophobicContact CE2-CG 3.87Å; Y320-Q360 WeakPolarHBondContact OH-CG 3.4Å; Y320-Q360 PolarHBondContact OH-NE2 2.85Å; Y320-K363 HydrophobicContact CD1-CD 3.69Å; Y320-K363 HydrophobicContact CD2-CD 3.83Å; Y320-K363 HydrophobicContact CE1-CD 3.57Å; Y320-K363 HydrophobicContact CE2-CD 3.77Å; Y320-K363 HydrophobicContact CG-CD 3.8Å; Y320-D365 WeakPolarHBondContact CE1-OD2 3.26Å; Y320-D365 WeakPolarHBondContact OH-CB 3.11Å; Y320-D365 PolarHBondContact OH-OD2 2.8Å
321	D	97.1	Very high	94.6	Very high	104 Å²	104	41.5 Å²	41.5	56%	0.556	21%	0.207	S	C	*	.	H	α-helix	trans	-64.2	-29.3	177.5	-68.7	-1.9	0	0	0	111.8	N317 H319 R325	N317-D321 WeakPolarHBondContact O-CB 3.37Å; N317-D321 VanDerWaalsContact O-CG 3.31Å; N317-D321 PolarHBondContact O-N 3.4Å; H319-D321 PolarHBondContact O-N 2.82Å; D321-R325 WeakPolarHBondContact O-CB 3.08Å; D321-R325 PolarHBondContact O-N 3.24Å
322	A	97.6	Very high	94.4	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-73.4	-45.2	171.9	0	0	0	0	0	112.3	S268 N269 L270 H319 Y320 R325 Y326	S268-A322 WeakPolarHBondContact O-CB 3.34Å; N269-A322 HydrophobicContact CB-CB 4.19Å; L270-A322 HydrophobicContact CD2-CB 3.78Å; L270-A322 HydrophobicContact CG-CB 4.34Å; H319-A322 WeakPolarHBondContact O-CB 3.39Å; H319-A322 PolarHBondContact O-N 3.39Å; H319-A322 VanDerWaalsContact O-N 3.14Å; Y320-A322 PolarHBondContact O-N 2.63Å; A322-R325 PolarHBondContact O-N 3.23Å; A322-Y326 HydrophobicContact CB-CD2 4.25Å; A322-Y326 WeakPolarHBondContact O-CB 3.18Å; A322-Y326 WeakPolarHBondContact O-CD2 3.45Å; A322-Y326 PolarHBondContact O-N 2.79Å
323	I	97.4	Very high	94.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-50.9	176.2	-67.6	158.1	0	0	0	109.9	V289 Y297 H319 Y320 R325 Y326 I327 S328 F356	V289-I323 HydrophobicContact CG1-CD1 4.08Å; V289-I323 HydrophobicContact CG1-CG1 4.22Å; V289-I323 HydrophobicContact CG1-CG2 3.56Å; Y297-I323 HydrophobicContact CD1-CD1 4.28Å; Y297-I323 HydrophobicContact CD2-CD1 3.8Å; Y297-I323 HydrophobicContact CE1-CD1 4.2Å; Y297-I323 HydrophobicContact CE2-CD1 3.67Å; Y297-I323 HydrophobicContact CE2-CG1 4.32Å; Y297-I323 HydrophobicContact CG-CD1 4.09Å; H319-I323 WeakPolarHBondContact O-CD1 3.32Å; H319-I323 VanDerWaalsContact O-CG1 3.29Å; H319-I323 WeakPolarHBondContact O-CG1 3.36Å; H319-I323 PolarHBondContact O-N 3.4Å; Y320-I323 PolarHBondContact O-N 2.92Å; I323-R325 PolarHBondContact O-N 2.94Å; I323-Y326 PolarHBondContact O-N 3.11Å; I323-I327 HydrophobicContact CB-CD1 4.47Å; I323-I327 HydrophobicContact CG1-CD1 4.04Å; I323-I327 HydrophobicContact CG2-CB 4.19Å; I323-I327 HydrophobicContact CG2-CG2 4.31Å; I323-I327 WeakPolarHBondContact O-CA 3.13Å; I323-I327 PolarHBondContact O-N 3.37Å; I323-S328 PolarHBondContact O-N 3.45Å; I323-F356 HydrophobicContact CD1-CE2 4.27Å; I323-F356 HydrophobicContact CD1-CZ 4.35Å; I323-F356 HydrophobicContact CG2-CE1 4.12Å; I323-F356 HydrophobicContact CG2-CE2 4.47Å; I323-F356 HydrophobicContact CG2-CZ 3.7Å
324	M	95.3	Very high	94.1	Very high	54 Å²	54	40.4 Å²	40.4	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-68.4	-17.1	-179.5	-66.4	-55.9	-72	0	0	114	Y320 P368	Y320-M324 HydrophobicContact CD1-CG 3.84Å; Y320-M324 HydrophobicContact CE1-CG 3.36Å; Y320-M324 HydrophobicContact CE1-SD 4.34Å; Y320-M324 HydrophobicContact CE2-CG 4.23Å; Y320-M324 HydrophobicContact CG-CG 4.48Å; Y320-M324 WeakPolarHBondContact O-CB 3.48Å; Y320-M324 WeakPolarHBondContact O-CG 3.32Å; Y320-M324 PolarHBondContact O-N 3.47Å; M324-P368 HydrophobicContact CE-CB 3.9Å; M324-P368 HydrophobicContact CE-CG 3.7Å
325	R	95.3	Very high	94	Very high	182 Å²	182	35 Å²	35	69%	0.687	17%	0.173	S	C	*	.	H	α-helix	trans	-92.8	-28	176.3	-178.2	175.1	-177.5	167.1	2.1	114.3	D321 A322 I323	D321-R325 WeakPolarHBondContact O-CB 3.08Å; D321-R325 PolarHBondContact O-N 3.24Å; A322-R325 PolarHBondContact O-N 3.23Å; I323-R325 PolarHBondContact O-N 2.94Å
326	Y	95.8	Very high	93.9	Very high	34 Å²	34	33.9 Å²	33.9	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-125	-40	-167.3	-61.5	-55.7	0	0	0	114.4	L270 A322 I323 V336 P341 M342	L270-Y326 HydrophobicContact CD1-CD2 4.27Å; L270-Y326 HydrophobicContact CG-CD2 4.47Å; A322-Y326 HydrophobicContact CB-CD2 4.25Å; A322-Y326 WeakPolarHBondContact O-CB 3.18Å; A322-Y326 WeakPolarHBondContact O-CD2 3.45Å; A322-Y326 PolarHBondContact O-N 2.79Å; I323-Y326 PolarHBondContact O-N 3.11Å; Y326-V336 WeakPolarHBondContact O-CG1 3.08Å; Y326-P341 HydrophobicContact CD1-CB 3.62Å; Y326-P341 HydrophobicContact CD1-CG 3.77Å; Y326-P341 HydrophobicContact CD2-CB 4.17Å; Y326-P341 HydrophobicContact CD2-CG 4.43Å; Y326-P341 HydrophobicContact CE1-CB 4.12Å; Y326-P341 HydrophobicContact CE1-CG 3.72Å; Y326-P341 HydrophobicContact CE2-CG 4.42Å; Y326-P341 HydrophobicContact CG-CB 3.65Å; Y326-P341 HydrophobicContact CG-CG 4.14Å; Y326-M342 HydrophobicContact CD1-CE 3.52Å; Y326-M342 HydrophobicContact CE1-CE 3.7Å
327	I	95.4	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-37.4	-176.6	-70.4	157.4	0	0	0	110.7	L270 V289 I323 Q329 L333 L334 V336	L270-I327 HydrophobicContact CD2-CD1 3.83Å; V289-I327 HydrophobicContact CG1-CG2 4.48Å; I323-I327 HydrophobicContact CB-CD1 4.47Å; I323-I327 HydrophobicContact CG1-CD1 4.04Å; I323-I327 HydrophobicContact CG2-CB 4.19Å; I323-I327 HydrophobicContact CG2-CG2 4.31Å; I323-I327 WeakPolarHBondContact O-CA 3.13Å; I323-I327 PolarHBondContact O-N 3.37Å; I327-Q329 PolarHBondContact O-N 2.82Å; I327-L333 HydrophobicContact CG2-CB 4.39Å; I327-L333 HydrophobicContact CG2-CD2 4.29Å; I327-L334 PolarHBondContact O-N 3.19Å; I327-V336 HydrophobicContact CG1-CG2 3.9Å
328	S	93.4	Very high	93.7	Very high	17 Å²	17	35.1 Å²	35.1	12%	0.119	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.2	-179.5	-166.1	0	0	0	0	112	I323	I323-S328 PolarHBondContact O-N 3.45Å
329	Q	86.9	Confident	93.5	Very high	83 Å²	83	38.2 Å²	38.2	39%	0.388	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	69.6	174.9	-60.2	-178.2	25.8	0	0	107.8	I327 L332	I327-Q329 PolarHBondContact O-N 2.82Å; Q329-L332 CarbonylContact C-O 3.57Å; Q329-L332 PolarHBondContact N-O 3.11Å; Q329-L332 WeakPolarHBondContact O-CA 3.27Å; Q329-L332 WeakPolarHBondContact O-CB 3.44Å; Q329-L332 PolarHBondContact O-N 3.4Å
330	P	76.4	Confident	93.2	Very high	74 Å²	74	45 Å²	45	48%	0.481	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	132.4	-158.2	-31.2	36.5	0	0	0	114.7
331	P	82	Confident	93	Very high	25 Å²	25	45.5 Å²	45.5	16%	0.162	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	6.5	9	37.4	-38.7	0	0	0	115.2	E371 M375 L550	P331-E371 WeakPolarHBondContact CB-O 3.42Å; P331-M375 HydrophobicContact CB-CB 3.79Å; P331-M375 HydrophobicContact CB-CG 4.14Å; P331-M375 HydrophobicContact CB-SD 4.42Å; P331-M375 HydrophobicContact CG-CB 4.08Å; P331-M375 HydrophobicContact CG-CG 3.95Å; P331-M375 HydrophobicContact CG-SD 4.36Å; P331-L550 HydrophobicContact CB-CD2 4.39Å; P331-L550 HydrophobicContact CG-CD2 4.14Å
332	L	90.7	Very high	92.7	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.152	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	152.4	-175.4	-50.3	176.1	0	0	0	112	Q329 L334 M349 M375 T392 F394	Q329-L332 CarbonylContact C-O 3.57Å; Q329-L332 PolarHBondContact N-O 3.11Å; Q329-L332 WeakPolarHBondContact O-CA 3.27Å; Q329-L332 WeakPolarHBondContact O-CB 3.44Å; Q329-L332 PolarHBondContact O-N 3.4Å; L332-L334 HydrophobicContact CB-CD1 4.46Å; L332-L334 HydrophobicContact CB-CG 4.18Å; L332-L334 HydrophobicContact CD1-CD1 4.33Å; L332-M349 HydrophobicContact CB-SD 4.44Å; L332-M349 HydrophobicContact CD2-CE 3.8Å; L332-M349 HydrophobicContact CD2-SD 4.3Å; L332-M375 HydrophobicContact CD2-SD 3.76Å; L332-T392 HydrophobicContact CD1-CG2 4.12Å; L332-F394 HydrophobicContact CD2-CE1 3.99Å; L332-F394 HydrophobicContact CD2-CZ 4.12Å
333	L	93.9	Very high	92.4	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	105.3	173	-72.3	158.4	0	0	0	107.3	V289 I327 M349 L353 F356 T372	V289-L333 HydrophobicContact CG2-CB 4Å; V289-L333 HydrophobicContact CG2-CD1 4.15Å; V289-L333 HydrophobicContact CG2-CD2 4.42Å; V289-L333 HydrophobicContact CG2-CG 4.42Å; I327-L333 HydrophobicContact CG2-CB 4.39Å; I327-L333 HydrophobicContact CG2-CD2 4.29Å; L333-M349 VanDerWaalsContact O-CG 3.25Å; L333-M349 WeakPolarHBondContact O-CG 3.5Å; L333-L353 HydrophobicContact CB-CD2 4.32Å; L333-L353 HydrophobicContact CD1-CD1 4.18Å; L333-F356 HydrophobicContact CD1-CD1 3.94Å; L333-F356 HydrophobicContact CD2-CD1 4.34Å; L333-F356 HydrophobicContact CD2-CE1 4.28Å; L333-T372 HydrophobicContact CD1-CG2 3.65Å
334	L	93.3	Very high	92.2	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	27%	0.265	C	S	.	.			trans	-118.5	131.6	-168.3	-61.5	179.1	0	0	0	112.5	I327 L332 M349 T392	I327-L334 PolarHBondContact O-N 3.19Å; L332-L334 HydrophobicContact CB-CD1 4.46Å; L332-L334 HydrophobicContact CB-CG 4.18Å; L332-L334 HydrophobicContact CD1-CD1 4.33Å; L334-M349 HydrophobicContact CD2-CE 4.32Å; L334-M349 HydrophobicContact CD2-CG 3.82Å; L334-M349 HydrophobicContact CD2-SD 4.07Å; L334-T392 HydrophobicContact CD1-CG2 3.84Å; L334-T392 HydrophobicContact CD2-CG2 3.76Å; L334-T392 HydrophobicContact CG-CG2 4.46Å
335	D	95.1	Very high	92	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.037	26%	0.264	C	S	.	.			trans	-58.2	135.4	175.9	-77.5	35.2	0	0	0	112	S287 G288 N344 A345 R346	S287-D335 CarbonylContact O-C 3.52Å; S287-D335 VanDerWaalsContact O-CA 3.24Å; S287-D335 WeakPolarHBondContact O-CA 3.37Å; G288-D335 WeakPolarHBondContact CA-OD1 3.46Å; D335-N344 CarbonylContact O-C 3.04Å; D335-N344 VanDerWaalsContact O-CA 3.23Å; D335-N344 WeakPolarHBondContact O-CA 3.14Å; D335-A345 HydrophobicContact CB-CB 4.42Å; D335-A345 PolarHBondContact O-N 3.23Å; D335-R346 HydrophobicContact CB-CB 4.05Å; D335-R346 HydrophobicContact CB-CG 3.84Å; D335-R346 WeakPolarHBondContact OD2-CD 3.45Å; D335-R346 IonicContact OD2-CZ 3.3Å; D335-R346 IonicContact OD2-NE 2.97Å; D335-R346 PolarHBondContact OD2-NE 3.31Å; D335-R346 IonicContact OD2-NH1 3.05Å; D335-R346 PolarHBondContact OD2-NH1 3.24Å; D335-R346 IonicContact OD2-NH2 2.76Å; D335-R346 PolarHBondContact OD2-NH2 3.33Å; D335-R346 VanDerWaalsContact OD2-NH2 3.07Å
336	V	96.2	Very high	91.7	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	163.5	178	-60.5	0	0	0	0	111.4	L270 D286 S287 Y326 I327 P341 L343	L270-V336 HydrophobicContact CD1-CG2 3.67Å; D286-V336 CarbonylContact C-O 3.55Å; S287-V336 PolarHBondContact N-O 2.96Å; S287-V336 PolarHBondContact O-N 2.85Å; Y326-V336 WeakPolarHBondContact O-CG1 3.08Å; I327-V336 HydrophobicContact CG1-CG2 3.9Å; V336-P341 HydrophobicContact CG2-CB 4.07Å; V336-L343 WeakPolarHBondContact CA-O 3.4Å
337	H	96.3	Very high	91.3	Very high	77 Å²	77	49.5 Å²	49.5	36%	0.356	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.5	174.1	-67.6	-61.5	0	0	0	112	K285 H339 K340 P341 L343 A345	K285-H337 WeakPolarHBondContact O-CA 3.37Å; H337-H339 PolarHBondContact O-N 2.63Å; H337-K340 HydrophobicContact CB-CB 4.47Å; H337-K340 CarbonylContact O-C 3.59Å; H337-K340 PolarHBondContact O-N 2.69Å; H337-P341 WeakPolarHBondContact O-CA 3.19Å; H337-P341 VanDerWaalsContact O-N 3.09Å; H337-L343 PolarHBondContact N-O 3.42Å; H337-L343 VanDerWaalsContact N-O 3.12Å; H337-A345 VanDerWaalsContact CE1-CB 3.46Å; H337-A345 WeakPolarHBondContact CE1-CB 3.13Å
338	I	95.4	Very high	91.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38	-176	65	-172.9	0	0	0	113.7	Q265 S268 L270 V271 W282 K285 S287	Q265-I338 HydrophobicContact CB-CB 4.05Å; Q265-I338 HydrophobicContact CB-CD1 4.45Å; Q265-I338 HydrophobicContact CB-CG1 4.27Å; Q265-I338 HydrophobicContact CG-CB 4.41Å; Q265-I338 WeakPolarHBondContact CG-O 3.21Å; S268-I338 PolarHBondContact OG-O 3.32Å; L270-I338 HydrophobicContact CB-CB 4.19Å; L270-I338 HydrophobicContact CB-CG2 3.82Å; V271-I338 WeakPolarHBondContact O-CG2 3.45Å; W282-I338 HydrophobicContact CB-CD1 4.08Å; W282-I338 HydrophobicContact CD2-CD1 4.37Å; W282-I338 HydrophobicContact CG-CD1 3.73Å; K285-I338 HydrophobicContact CB-CD1 4.32Å; K285-I338 HydrophobicContact CB-CG1 4.35Å; K285-I338 HydrophobicContact CG-CD1 4.37Å; K285-I338 PolarHBondContact O-N 3.04Å; S287-I338 VanDerWaalsContact CB-CG2 3.43Å
339	H	93.5	Very high	91.2	Very high	97 Å²	97	50.5 Å²	50.5	45%	0.449	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-20.5	-179.5	-63.3	92.1	0	0	0	113.9	H337	H337-H339 PolarHBondContact O-N 2.63Å
340	K	93.5	Very high	91.6	Very high	141 Å²	141	46.9 Å²	46.9	61%	0.613	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142	66.9	-176.6	-67.6	-174.5	-179.6	178	0	109.1	H337 M342 L343	H337-K340 HydrophobicContact CB-CB 4.47Å; H337-K340 CarbonylContact O-C 3.59Å; H337-K340 PolarHBondContact O-N 2.69Å; K340-M342 PolarHBondContact O-N 3.38Å; K340-L343 HydrophobicContact CB-CD1 4.06Å; K340-L343 HydrophobicContact CB-CG 4.38Å; K340-L343 HydrophobicContact CD-CD1 3.84Å; K340-L343 PolarHBondContact O-N 3.42Å
341	P	92.4	Very high	92.5	Very high	17 Å²	17	43.3 Å²	43.3	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	6.3	-169.8	31.7	-39.5	0	0	0	114.7	L270 Y326 V336 H337 L343	L270-P341 HydrophobicContact CD1-CB 4.06Å; Y326-P341 HydrophobicContact CD1-CB 3.62Å; Y326-P341 HydrophobicContact CD1-CG 3.77Å; Y326-P341 HydrophobicContact CD2-CB 4.17Å; Y326-P341 HydrophobicContact CD2-CG 4.43Å; Y326-P341 HydrophobicContact CE1-CB 4.12Å; Y326-P341 HydrophobicContact CE1-CG 3.72Å; Y326-P341 HydrophobicContact CE2-CG 4.42Å; Y326-P341 HydrophobicContact CG-CB 3.65Å; Y326-P341 HydrophobicContact CG-CG 4.14Å; V336-P341 HydrophobicContact CG2-CB 4.07Å; H337-P341 WeakPolarHBondContact O-CA 3.19Å; H337-P341 VanDerWaalsContact O-N 3.09Å; P341-L343 VanDerWaalsContact C-N 3.35Å
342	M	90.9	Very high	93.1	Very high	141 Å²	141	43.9 Å²	43.9	70%	0.695	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	-2.6	167.5	-53.4	-72.7	86.1	0	0	112.4	Y326 K340	Y326-M342 HydrophobicContact CD1-CE 3.52Å; Y326-M342 HydrophobicContact CE1-CE 3.7Å; K340-M342 PolarHBondContact O-N 3.38Å
343	L	92.1	Very high	93.4	Very high	92 Å²	92	42.7 Å²	42.7	48%	0.482	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.4	-180	-60.8	179	0	0	0	109.4	V336 H337 K340 P341 A345	V336-L343 WeakPolarHBondContact CA-O 3.4Å; H337-L343 PolarHBondContact N-O 3.42Å; H337-L343 VanDerWaalsContact N-O 3.12Å; K340-L343 HydrophobicContact CB-CD1 4.06Å; K340-L343 HydrophobicContact CB-CG 4.38Å; K340-L343 HydrophobicContact CD-CD1 3.84Å; K340-L343 PolarHBondContact O-N 3.42Å; P341-L343 VanDerWaalsContact C-N 3.35Å; L343-A345 PolarHBondContact O-N 3.25Å
344	N	91.6	Very high	93.6	Very high	75 Å²	75	42.5 Å²	42.5	40%	0.401	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	131.4	170.9	-60.6	17.5	0	0	0	109.5	D335	D335-N344 CarbonylContact O-C 3.04Å; D335-N344 VanDerWaalsContact O-CA 3.23Å; D335-N344 WeakPolarHBondContact O-CA 3.14Å
345	A	91.7	Very high	93.8	Very high	29 Å²	29	42.7 Å²	42.7	24%	0.24	22%	0.216	C	C	.	.	S	Bend	trans	-89.7	-23.2	175	0	0	0	0	0	112.6	D286 D335 H337 L343	D286-A345 HydrophobicContact CB-CB 3.56Å; D335-A345 HydrophobicContact CB-CB 4.42Å; D335-A345 PolarHBondContact O-N 3.23Å; H337-A345 VanDerWaalsContact CE1-CB 3.46Å; H337-A345 WeakPolarHBondContact CE1-CB 3.13Å; L343-A345 PolarHBondContact O-N 3.25Å
346	R	88.5	Confident	93.9	Very high	26 Å²	26	42.4 Å²	42.4	10%	0.098	21%	0.214	C	C	.	.			trans	-130.6	162.5	174.4	-53.2	-174.8	-167.7	160.2	17.4	110.9	D286 D335 W348 D350	D286-R346 IonicContact OD2-CZ 3.62Å; D286-R346 IonicContact OD2-NE 3.92Å; D286-R346 PolarHBondContact OD2-NE 3.39Å; D286-R346 IonicContact OD2-NH2 3.55Å; D286-R346 PolarHBondContact OD2-NH2 3.1Å; D335-R346 HydrophobicContact CB-CB 4.05Å; D335-R346 HydrophobicContact CB-CG 3.84Å; D335-R346 WeakPolarHBondContact OD2-CD 3.45Å; D335-R346 IonicContact OD2-CZ 3.3Å; D335-R346 IonicContact OD2-NE 2.97Å; D335-R346 PolarHBondContact OD2-NE 3.31Å; D335-R346 IonicContact OD2-NH1 3.05Å; D335-R346 PolarHBondContact OD2-NH1 3.24Å; D335-R346 IonicContact OD2-NH2 2.76Å; D335-R346 PolarHBondContact OD2-NH2 3.33Å; D335-R346 VanDerWaalsContact OD2-NH2 3.07Å; R346-W348 VanDerWaalsContact NH1-CH2 3.3Å; R346-D350 IonicContact NH1-OD2 3.69Å; R346-D350 PolarHBondContact NH1-OD2 2.73Å
347	T	88.9	Confident	94	Very high	102 Å²	102	42.3 Å²	42.3	63%	0.626	21%	0.214	S	C	*	.	S	Bend	trans	-110.6	8.5	176.9	51.7	0	0	0	0	113.1
348	W	92.9	Very high	94	Very high	36 Å²	36	38.8 Å²	38.8	14%	0.136	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	163.7	-175.5	53.3	-100.2	0	0	0	110.3	R346 D350 A389 F390 H397 W398	R346-W348 VanDerWaalsContact NH1-CH2 3.3Å; W348-D350 HydrophobicContact CZ3-CB 4.11Å; W348-A389 HydrophobicContact CD2-CB 4.35Å; W348-A389 HydrophobicContact CE3-CB 3.8Å; W348-A389 HydrophobicContact CZ3-CB 4.22Å; W348-F390 CarbonylContact C-O 3.57Å; W348-F390 VanDerWaalsContact CA-O 3.23Å; W348-F390 WeakPolarHBondContact CA-O 3.39Å; W348-F390 WeakPolarHBondContact CB-O 3.36Å; W348-H397 HydrophobicContact CB-CB 4.25Å; W348-H397 AromaticContact CD1-CD2 3.57Å; W348-H397 AromaticContact CD1-CE1 3.82Å; W348-H397 AromaticContact CD1-NE2 3.45Å; W348-H397 AromaticContact CD2-CD2 3.92Å; W348-H397 AromaticContact CE2-CD2 3.97Å; W348-H397 AromaticContact CE2-NE2 3.96Å; W348-H397 AromaticContact CG-CD2 3.67Å; W348-H397 AromaticContact NE1-CD2 3.74Å; W348-H397 AromaticContact NE1-NE2 3.37Å; W348-H397 PolarHBondContact NE1-NE2 2.77Å; W348-W398 AromaticContact CH2-CH2 3.31Å; W348-W398 HydrophobicContact CH2-CH2 3.31Å; W348-W398 HydrophobicContact CH2-CZ2 4Å; W348-W398 AromaticContact CH2-CZ3 3.7Å; W348-W398 HydrophobicContact CH2-CZ3 3.7Å; W348-W398 AromaticContact CZ2-CH2 3.57Å; W348-W398 HydrophobicContact CZ2-CH2 3.57Å; W348-W398 AromaticContact CZ2-CZ2 3.77Å; W348-W398 HydrophobicContact CZ2-CZ2 3.77Å; W348-W398 HydrophobicContact CZ2-CZ3 4.32Å; W348-W398 HydrophobicContact CZ3-CH2 4.09Å; W348-W398 HydrophobicContact CZ3-CZ3 4.03Å
349	M	93.9	Very high	94.1	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.2	177	-74.6	167.1	-72.7	0	0	108.5	L332 L333 L334 L353 A389 F390	L332-M349 HydrophobicContact CB-SD 4.44Å; L332-M349 HydrophobicContact CD2-CE 3.8Å; L332-M349 HydrophobicContact CD2-SD 4.3Å; L333-M349 VanDerWaalsContact O-CG 3.25Å; L333-M349 WeakPolarHBondContact O-CG 3.5Å; L334-M349 HydrophobicContact CD2-CE 4.32Å; L334-M349 HydrophobicContact CD2-CG 3.82Å; L334-M349 HydrophobicContact CD2-SD 4.07Å; M349-L353 HydrophobicContact CB-CD2 3.64Å; M349-L353 HydrophobicContact CG-CD2 3.75Å; M349-L353 HydrophobicContact SD-CD2 4.25Å; M349-A389 CarbonylContact O-C 3.35Å; M349-A389 WeakPolarHBondContact O-CA 3.23Å; M349-A389 WeakPolarHBondContact O-CB 3.39Å; M349-F390 HydrophobicContact CB-CE1 4.1Å; M349-F390 HydrophobicContact CB-CE2 4.19Å; M349-F390 HydrophobicContact CB-CZ 3.9Å; M349-F390 HydrophobicContact CE-CD2 3.84Å; M349-F390 HydrophobicContact CE-CE2 3.39Å; M349-F390 HydrophobicContact CE-CZ 4.13Å; M349-F390 PolarHBondContact N-O 3.09Å; M349-F390 PolarHBondContact O-N 3.45Å; M349-F390 HydrophobicContact SD-CE2 4.07Å; M349-F390 HydrophobicContact SD-CZ 4.25Å
350	D	93.9	Very high	94.2	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.032	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	165.3	167.9	47.3	79	0	0	0	112.1	G290 A291 R346 W348 L353 E388	G290-D350 WeakPolarHBondContact CA-OD1 3.12Å; A291-D350 PolarHBondContact N-OD1 2.73Å; A291-D350 VanDerWaalsContact N-OD1 3.12Å; A291-D350 PolarHBondContact N-OD2 2.67Å; R346-D350 IonicContact NH1-OD2 3.69Å; R346-D350 PolarHBondContact NH1-OD2 2.73Å; W348-D350 HydrophobicContact CZ3-CB 4.11Å; D350-L353 WeakPolarHBondContact O-CG 3.43Å; D350-E388 CarbonylContact C-O 3.56Å; D350-E388 VanDerWaalsContact CA-O 3.22Å; D350-E388 WeakPolarHBondContact CA-O 3.32Å
351	A	95.2	Very high	94.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-69.1	-32	177.7	0	0	0	0	0	113	L353 A354 L386 E388	A351-L353 PolarHBondContact O-N 3.44Å; A351-L353 VanDerWaalsContact O-N 3.16Å; A351-A354 WeakPolarHBondContact O-CB 3.15Å; A351-A354 PolarHBondContact O-N 3.36Å; A351-L386 HydrophobicContact CB-CD2 3.88Å; A351-L386 HydrophobicContact CB-CG 4.07Å; A351-E388 PolarHBondContact N-O 3.1Å
352	L	95.7	Very high	94.3	Very high	36 Å²	36	30.7 Å²	30.7	19%	0.188	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.5	-173.7	-67.7	175.6	0	0	0	113.1	A291 A354 F355 E406	A291-L352 HydrophobicContact CB-CD1 3.84Å; L352-A354 PolarHBondContact O-N 2.9Å; L352-F355 VanDerWaalsContact O-CD1 3.28Å; L352-F355 WeakPolarHBondContact O-CD1 3.27Å; L352-F355 PolarHBondContact O-N 3.49Å; L352-E406 HydrophobicContact CD2-CG 4.49Å; L352-E406 WeakPolarHBondContact CD2-OE1 3.47Å
353	L	96.2	Very high	94.4	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-56.2	-13.3	175.3	79	75.4	0	0	0	114.4	V289 L333 M349 D350 A351 F355 F356 T372 L376	V289-L353 HydrophobicContact CG2-CB 3.92Å; L333-L353 HydrophobicContact CB-CD2 4.32Å; L333-L353 HydrophobicContact CD1-CD1 4.18Å; M349-L353 HydrophobicContact CB-CD2 3.64Å; M349-L353 HydrophobicContact CG-CD2 3.75Å; M349-L353 HydrophobicContact SD-CD2 4.25Å; D350-L353 WeakPolarHBondContact O-CG 3.43Å; A351-L353 PolarHBondContact O-N 3.44Å; A351-L353 VanDerWaalsContact O-N 3.16Å; L353-F355 PolarHBondContact O-N 3.07Å; L353-F355 VanDerWaalsContact O-N 3.16Å; L353-F356 VanDerWaalsContact O-CB 3.27Å; L353-F356 WeakPolarHBondContact O-CB 3.49Å; L353-F356 PolarHBondContact O-N 3.15Å; L353-T372 HydrophobicContact CD1-CG2 4.42Å; L353-L376 HydrophobicContact CD1-CD1 4.24Å; L353-L376 HydrophobicContact CD1-CD2 4.09Å
354	A	97.8	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-62.9	-11.5	176.1	0	0	0	0	0	114.6	A351 L352 F356 P357 L376 L386 E406 F407 S410	A351-A354 WeakPolarHBondContact O-CB 3.15Å; A351-A354 PolarHBondContact O-N 3.36Å; L352-A354 PolarHBondContact O-N 2.9Å; A354-F356 VanDerWaalsContact C-N 3.34Å; A354-P357 WeakPolarHBondContact O-CD 3.34Å; A354-L376 HydrophobicContact CB-CD1 3.79Å; A354-L386 HydrophobicContact CB-CD2 3.93Å; A354-E406 HydrophobicContact CB-CB 4.16Å; A354-E406 VanDerWaalsContact O-O 3.05Å; A354-F407 HydrophobicContact CB-CB 3.99Å; A354-S410 VanDerWaalsContact O-CB 3.31Å; A354-S410 WeakPolarHBondContact O-CB 3.15Å; A354-S410 PolarHBondContact O-OG 3.04Å
355	F	98	Very high	94.3	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.035	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-69.6	-28.7	167	88.2	-60.1	0	0	0	112.9	V289 D294 E298 L352 L353 G358 L359 E406 E409 S410	V289-F355 HydrophobicContact CB-CE1 4.47Å; V289-F355 VanDerWaalsContact O-CE1 3.23Å; V289-F355 WeakPolarHBondContact O-CE1 3.38Å; D294-F355 HydrophobicContact CB-CE1 3.98Å; D294-F355 HydrophobicContact CB-CZ 4Å; D294-F355 WeakPolarHBondContact O-CE2 3.3Å; D294-F355 VanDerWaalsContact O-CZ 3.32Å; D294-F355 WeakPolarHBondContact O-CZ 3.41Å; E298-F355 HydrophobicContact CB-CD2 4.46Å; E298-F355 HydrophobicContact CB-CE2 4.04Å; E298-F355 HydrophobicContact CG-CD2 4.38Å; E298-F355 HydrophobicContact CG-CE2 4.42Å; L352-F355 VanDerWaalsContact O-CD1 3.28Å; L352-F355 WeakPolarHBondContact O-CD1 3.27Å; L352-F355 PolarHBondContact O-N 3.49Å; L353-F355 PolarHBondContact O-N 3.07Å; L353-F355 VanDerWaalsContact O-N 3.16Å; F355-G358 WeakPolarHBondContact O-CA 3.45Å; F355-G358 PolarHBondContact O-N 3.34Å; F355-L359 HydrophobicContact CE2-CD2 3.83Å; F355-L359 HydrophobicContact CZ-CD2 4.38Å; F355-L359 PolarHBondContact O-N 3.18Å; F355-L359 VanDerWaalsContact O-N 3.12Å; F355-E406 HydrophobicContact CB-CB 3.93Å; F355-E406 HydrophobicContact CB-CG 4.4Å; F355-E409 WeakPolarHBondContact CB-OE2 3.44Å; F355-S410 PolarHBondContact O-OG 3.18Å
356	F	97.7	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-36.1	-165.6	-164.8	-109.1	0	0	0	113.8	V289 Y320 I323 L333 L353 A354 G358 L359 Q360	V289-F356 HydrophobicContact CB-CD2 4.08Å; V289-F356 HydrophobicContact CB-CE2 4.45Å; V289-F356 HydrophobicContact CB-CG 4.27Å; V289-F356 HydrophobicContact CG1-CD1 4.39Å; V289-F356 HydrophobicContact CG1-CD2 3.8Å; V289-F356 HydrophobicContact CG1-CE1 4.28Å; V289-F356 HydrophobicContact CG1-CE2 3.68Å; V289-F356 HydrophobicContact CG1-CG 4.17Å; V289-F356 HydrophobicContact CG1-CZ 3.94Å; V289-F356 HydrophobicContact CG2-CG 4.44Å; Y320-F356 HydrophobicContact CD2-CZ 4.12Å; Y320-F356 HydrophobicContact CE2-CE1 4.34Å; Y320-F356 AromaticContact CE2-CZ 3.77Å; Y320-F356 HydrophobicContact CE2-CZ 3.77Å; I323-F356 HydrophobicContact CD1-CE2 4.27Å; I323-F356 HydrophobicContact CD1-CZ 4.35Å; I323-F356 HydrophobicContact CG2-CE1 4.12Å; I323-F356 HydrophobicContact CG2-CE2 4.47Å; I323-F356 HydrophobicContact CG2-CZ 3.7Å; L333-F356 HydrophobicContact CD1-CD1 3.94Å; L333-F356 HydrophobicContact CD2-CD1 4.34Å; L333-F356 HydrophobicContact CD2-CE1 4.28Å; L353-F356 VanDerWaalsContact O-CB 3.27Å; L353-F356 WeakPolarHBondContact O-CB 3.49Å; L353-F356 PolarHBondContact O-N 3.15Å; A354-F356 VanDerWaalsContact C-N 3.34Å; F356-G358 VanDerWaalsContact C-N 3.32Å; F356-G358 PolarHBondContact O-N 2.91Å; F356-L359 HydrophobicContact CD2-CD2 4.19Å; F356-L359 HydrophobicContact CE2-CD2 4.29Å; F356-L359 PolarHBondContact O-N 2.95Å; F356-Q360 HydrophobicContact CD1-CG 3.96Å; F356-Q360 VanDerWaalsContact CE1-CD 3.5Å; F356-Q360 HydrophobicContact CE1-CG 3.78Å; F356-Q360 HydrophobicContact CZ-CG 4.25Å; F356-Q360 WeakPolarHBondContact O-CB 3.31Å; F356-Q360 VanDerWaalsContact O-CG 3.3Å; F356-Q360 WeakPolarHBondContact O-CG 3.48Å; F356-Q360 PolarHBondContact O-N 2.67Å
357	P	97.5	Very high	94.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.5	-37.8	169.8	-25.7	35.9	0	0	0	113.8	A354 Q360 V361 A369 T372 H373 L376 L414	A354-P357 WeakPolarHBondContact O-CD 3.34Å; P357-Q360 PolarHBondContact O-N 3.37Å; P357-V361 WeakPolarHBondContact O-CG2 3.48Å; P357-V361 PolarHBondContact O-N 3.15Å; P357-A369 HydrophobicContact CB-CB 3.94Å; P357-A369 WeakPolarHBondContact O-CB 3.26Å; P357-T372 HydrophobicContact CG-CG2 3.82Å; P357-H373 HydrophobicContact CB-CB 4.3Å; P357-H373 HydrophobicContact CG-CB 4.41Å; P357-L376 HydrophobicContact CG-CD1 4.47Å; P357-L414 HydrophobicContact CB-CD1 4.34Å
358	G	96.8	Very high	94.3	Very high	2 Å²	2	22.1 Å²	22.1	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-64.3	-44.8	173.6	0	0	0	0	0	111.9	F355 F356 Q360 V361 L362 S410	F355-G358 WeakPolarHBondContact O-CA 3.45Å; F355-G358 PolarHBondContact O-N 3.34Å; F356-G358 VanDerWaalsContact C-N 3.32Å; F356-G358 PolarHBondContact O-N 2.91Å; G358-Q360 VanDerWaalsContact C-N 3.33Å; G358-Q360 PolarHBondContact O-N 3.02Å; G358-V361 WeakPolarHBondContact O-CB 3.45Å; G358-V361 PolarHBondContact O-N 2.83Å; G358-V361 VanDerWaalsContact O-N 3.15Å; G358-L362 PolarHBondContact O-N 3.37Å; G358-S410 PolarHBondContact N-OG 3.37Å
359	L	97.2	Very high	94.4	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-63.5	-37.4	174.3	-172.1	63.1	0	0	0	112.6	E298 L301 F316 F355 F356 L362 K363	E298-L359 HydrophobicContact CB-CD1 4.43Å; E298-L359 HydrophobicContact CB-CD2 4.34Å; E298-L359 HydrophobicContact CG-CD1 4.18Å; L301-L359 HydrophobicContact CB-CD1 4.05Å; L301-L359 HydrophobicContact CD2-CD1 3.88Å; F316-L359 HydrophobicContact CE2-CD1 4.47Å; F316-L359 HydrophobicContact CE2-CD2 4.01Å; F316-L359 HydrophobicContact CE2-CG 4.19Å; F316-L359 HydrophobicContact CZ-CG 4.33Å; F355-L359 HydrophobicContact CE2-CD2 3.83Å; F355-L359 HydrophobicContact CZ-CD2 4.38Å; F355-L359 PolarHBondContact O-N 3.18Å; F355-L359 VanDerWaalsContact O-N 3.12Å; F356-L359 HydrophobicContact CD2-CD2 4.19Å; F356-L359 HydrophobicContact CE2-CD2 4.29Å; F356-L359 PolarHBondContact O-N 2.95Å; L359-L362 PolarHBondContact O-N 3.25Å; L359-K363 PolarHBondContact O-N 3.18Å
360	Q	95.6	Very high	94.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-64.9	-38.3	172.2	-76.6	-178.2	-46.5	0	0	112.1	Y320 F356 P357 G358 K363 G364 D365 A369	Y320-Q360 HydrophobicContact CE2-CG 3.87Å; Y320-Q360 WeakPolarHBondContact OH-CG 3.4Å; Y320-Q360 PolarHBondContact OH-NE2 2.85Å; F356-Q360 HydrophobicContact CD1-CG 3.96Å; F356-Q360 VanDerWaalsContact CE1-CD 3.5Å; F356-Q360 HydrophobicContact CE1-CG 3.78Å; F356-Q360 HydrophobicContact CZ-CG 4.25Å; F356-Q360 WeakPolarHBondContact O-CB 3.31Å; F356-Q360 VanDerWaalsContact O-CG 3.3Å; F356-Q360 WeakPolarHBondContact O-CG 3.48Å; F356-Q360 PolarHBondContact O-N 2.67Å; P357-Q360 PolarHBondContact O-N 3.37Å; G358-Q360 VanDerWaalsContact C-N 3.33Å; G358-Q360 PolarHBondContact O-N 3.02Å; Q360-K363 PolarHBondContact O-N 3.03Å; Q360-G364 PolarHBondContact O-N 3.39Å; Q360-D365 PolarHBondContact O-N 3.41Å; Q360-A369 HydrophobicContact CB-CB 3.83Å
361	V	95.1	Very high	94.4	Very high	16 Å²	16	21.4 Å²	21.4	10%	0.097	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-42.2	171.6	169.7	0	0	0	0	111.6	P357 G358 K363 G364 I366 A369 F413 L414 A417	P357-V361 WeakPolarHBondContact O-CG2 3.48Å; P357-V361 PolarHBondContact O-N 3.15Å; G358-V361 WeakPolarHBondContact O-CB 3.45Å; G358-V361 PolarHBondContact O-N 2.83Å; G358-V361 VanDerWaalsContact O-N 3.15Å; V361-K363 VanDerWaalsContact C-N 3.29Å; V361-K363 PolarHBondContact O-N 3.18Å; V361-G364 WeakPolarHBondContact O-CA 3.29Å; V361-G364 PolarHBondContact O-N 3.39Å; V361-I366 HydrophobicContact CB-CD1 4.24Å; V361-I366 HydrophobicContact CG1-CD1 4.07Å; V361-I366 HydrophobicContact CG2-CD1 3.99Å; V361-A369 HydrophobicContact CG2-CB 4.03Å; V361-F413 HydrophobicContact CB-CB 4.24Å; V361-F413 HydrophobicContact CG1-CB 4.07Å; V361-L414 HydrophobicContact CG2-CD2 3.54Å; V361-L414 HydrophobicContact CG2-CG 3.84Å; V361-A417 HydrophobicContact CG1-CB 3.47Å; V361-A417 VanDerWaalsContact CG1-CB 3.47Å
362	L	93.9	Very high	94.4	Very high	62 Å²	62	21.6 Å²	21.6	33%	0.325	11%	0.107	S	C	.	.	H	α-helix	trans	-63.6	-33.7	176.4	-174.3	61.2	0	0	0	112.4	L301 K302 G358 L359 G364	L301-L362 HydrophobicContact CD2-CB 3.99Å; L301-L362 HydrophobicContact CD2-CD2 3.96Å; L301-L362 HydrophobicContact CD2-CG 3.76Å; L301-L362 HydrophobicContact CG-CD2 4.18Å; L301-L362 HydrophobicContact CG-CG 4.29Å; K302-L362 HydrophobicContact CG-CD2 3.98Å; G358-L362 PolarHBondContact O-N 3.37Å; L359-L362 PolarHBondContact O-N 3.25Å; L362-G364 VanDerWaalsContact C-N 3.32Å
363	K	92.8	Very high	94.4	Very high	52 Å²	52	19.9 Å²	19.9	23%	0.226	10%	0.098	C	C	.	.	H	α-helix	trans	-69.5	-28	168.8	-175.8	-171.4	176.2	93.8	0	112.7	L301 F316 N317 Y320 L359 Q360 V361 D365	L301-K363 HydrophobicContact CD2-CB 4.18Å; F316-K363 HydrophobicContact CE1-CB 4.03Å; F316-K363 HydrophobicContact CE1-CD 3.83Å; F316-K363 HydrophobicContact CE1-CG 3.87Å; F316-K363 HydrophobicContact CZ-CB 4.31Å; F316-K363 HydrophobicContact CZ-CD 4.23Å; F316-K363 HydrophobicContact CZ-CG 4.49Å; N317-K363 PolarHBondContact OD1-NZ 2.86Å; Y320-K363 HydrophobicContact CD1-CD 3.69Å; Y320-K363 HydrophobicContact CD2-CD 3.83Å; Y320-K363 HydrophobicContact CE1-CD 3.57Å; Y320-K363 HydrophobicContact CE2-CD 3.77Å; Y320-K363 HydrophobicContact CG-CD 3.8Å; L359-K363 PolarHBondContact O-N 3.18Å; Q360-K363 PolarHBondContact O-N 3.03Å; V361-K363 VanDerWaalsContact C-N 3.29Å; V361-K363 PolarHBondContact O-N 3.18Å; K363-D365 HydrophobicContact CD-CB 4.3Å
364	G	89.7	Confident	94.4	Very high	16 Å²	16	19.8 Å²	19.8	17%	0.165	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	10.2	-171.8	0	0	0	0	0	115.1	Q360 V361 L362 I366	Q360-G364 PolarHBondContact O-N 3.39Å; V361-G364 WeakPolarHBondContact O-CA 3.29Å; V361-G364 PolarHBondContact O-N 3.39Å; L362-G364 VanDerWaalsContact C-N 3.32Å; G364-I366 VanDerWaalsContact C-N 3.27Å; G364-I366 PolarHBondContact O-N 2.94Å; G364-I366 VanDerWaalsContact O-N 3.1Å
365	D	90.8	Very high	94.2	Very high	50 Å²	50	20 Å²	20	27%	0.267	10%	0.098	S	C	.	.			trans	-87.2	68	175.1	-165.1	5.4	0	0	0	110.5	Y320 Q360 K363 R367 P368	Y320-D365 WeakPolarHBondContact CE1-OD2 3.26Å; Y320-D365 WeakPolarHBondContact OH-CB 3.11Å; Y320-D365 PolarHBondContact OH-OD2 2.8Å; Q360-D365 PolarHBondContact O-N 3.41Å; K363-D365 HydrophobicContact CD-CB 4.3Å; D365-R367 VanDerWaalsContact C-N 3.32Å; D365-R367 PolarHBondContact O-N 2.66Å; D365-P368 WeakPolarHBondContact O-CD 3.4Å; D365-P368 WeakPolarHBondContact OD1-CD 3.27Å
366	I	89.8	Confident	94.2	Very high	14 Å²	14	19.6 Å²	19.6	7%	0.072	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-33	-167.6	-52.3	-60	0	0	0	112.8	V361 G364 A369 I370 A417 T418 F536	V361-I366 HydrophobicContact CB-CD1 4.24Å; V361-I366 HydrophobicContact CG1-CD1 4.07Å; V361-I366 HydrophobicContact CG2-CD1 3.99Å; G364-I366 VanDerWaalsContact C-N 3.27Å; G364-I366 PolarHBondContact O-N 2.94Å; G364-I366 VanDerWaalsContact O-N 3.1Å; I366-A369 WeakPolarHBondContact O-CB 3.15Å; I366-A369 PolarHBondContact O-N 3.27Å; I366-I370 HydrophobicContact CG2-CD1 3.7Å; I366-I370 HydrophobicContact CG2-CG1 4.16Å; I366-I370 VanDerWaalsContact O-CG1 3.3Å; I366-I370 WeakPolarHBondContact O-CG1 3.36Å; I366-I370 PolarHBondContact O-N 3.03Å; I366-I370 VanDerWaalsContact O-N 3.08Å; I366-A417 HydrophobicContact CD1-CB 4.14Å; I366-T418 HydrophobicContact CG2-CG2 4.01Å; I366-F536 HydrophobicContact CB-CZ 4.27Å; I366-F536 HydrophobicContact CG1-CE2 4.26Å; I366-F536 HydrophobicContact CG1-CZ 3.85Å; I366-F536 HydrophobicContact CG2-CE1 4.19Å; I366-F536 HydrophobicContact CG2-CZ 3.88Å
367	R	88.9	Confident	94.1	Very high	137 Å²	137	20 Å²	20	52%	0.517	10%	0.098	S	C	.	.	H	α-helix	trans	-69	-52.9	-170.8	168.4	172.5	175.5	-144.2	-15.9	112.9	D365 A369 I370 E371 I546	D365-R367 VanDerWaalsContact C-N 3.32Å; D365-R367 PolarHBondContact O-N 2.66Å; R367-A369 PolarHBondContact O-N 2.93Å; R367-I370 PolarHBondContact O-N 3.48Å; R367-E371 IonicContact CZ-OE1 3.48Å; R367-E371 IonicContact NE-OE1 3.02Å; R367-E371 PolarHBondContact NE-OE1 3.16Å; R367-E371 IonicContact NH2-OE1 2.89Å; R367-E371 PolarHBondContact NH2-OE1 2.82Å; R367-E371 WeakPolarHBondContact O-CG 3.22Å; R367-E371 PolarHBondContact O-N 2.99Å; R367-I546 HydrophobicContact CB-CD1 4.21Å; R367-I546 HydrophobicContact CG-CD1 3.97Å
368	P	91.8	Very high	94	Very high	17 Å²	17	20.5 Å²	20.5	11%	0.11	10%	0.1	C	C	.	.	H	α-helix	trans	-58.4	-35.6	174.6	-26.8	37.6	0	0	0	112.6	M324 D365 I370 E371 T372	M324-P368 HydrophobicContact CE-CB 3.9Å; M324-P368 HydrophobicContact CE-CG 3.7Å; D365-P368 WeakPolarHBondContact O-CD 3.4Å; D365-P368 WeakPolarHBondContact OD1-CD 3.27Å; P368-I370 PolarHBondContact O-N 3.03Å; P368-E371 PolarHBondContact O-N 2.8Å; P368-E371 VanDerWaalsContact O-N 3.17Å; P368-T372 WeakPolarHBondContact O-CB 3.38Å; P368-T372 PolarHBondContact O-N 2.93Å; P368-T372 PolarHBondContact O-OG1 3.42Å
369	A	93.9	Very high	93.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.3	-46.5	174.7	0	0	0	0	0	111.9	P357 Q360 V361 I366 R367 H373 L414	P357-A369 HydrophobicContact CB-CB 3.94Å; P357-A369 WeakPolarHBondContact O-CB 3.26Å; Q360-A369 HydrophobicContact CB-CB 3.83Å; V361-A369 HydrophobicContact CG2-CB 4.03Å; I366-A369 WeakPolarHBondContact O-CB 3.15Å; I366-A369 PolarHBondContact O-N 3.27Å; R367-A369 PolarHBondContact O-N 2.93Å; A369-H373 WeakPolarHBondContact O-CB 3.4Å; A369-H373 PolarHBondContact O-N 3.02Å; A369-L414 HydrophobicContact CB-CD2 4Å
370	I	94	Very high	93.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.4	-42.2	175.1	-63.4	167.8	0	0	0	111.3	I366 R367 P368 E374 L414 A543 I546 R547	I366-I370 HydrophobicContact CG2-CD1 3.7Å; I366-I370 HydrophobicContact CG2-CG1 4.16Å; I366-I370 VanDerWaalsContact O-CG1 3.3Å; I366-I370 WeakPolarHBondContact O-CG1 3.36Å; I366-I370 PolarHBondContact O-N 3.03Å; I366-I370 VanDerWaalsContact O-N 3.08Å; R367-I370 PolarHBondContact O-N 3.48Å; P368-I370 PolarHBondContact O-N 3.03Å; I370-E374 WeakPolarHBondContact O-CB 3.27Å; I370-E374 PolarHBondContact O-N 2.85Å; I370-L414 HydrophobicContact CG1-CD2 3.83Å; I370-A543 HydrophobicContact CD1-CB 3.91Å; I370-I546 HydrophobicContact CB-CG2 4.06Å; I370-I546 HydrophobicContact CD1-CD1 3.95Å; I370-I546 HydrophobicContact CG2-CB 3.92Å; I370-I546 HydrophobicContact CG2-CG2 3.62Å; I370-R547 HydrophobicContact CG2-CG 3.39Å
371	E	93.3	Very high	93.8	Very high	28 Å²	28	25 Å²	25	13%	0.131	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-43.6	-179.2	-69.4	179	179.4	0	0	112	P331 R367 P368 M375 I546 L550	P331-E371 WeakPolarHBondContact CB-O 3.42Å; R367-E371 IonicContact CZ-OE1 3.48Å; R367-E371 IonicContact NE-OE1 3.02Å; R367-E371 PolarHBondContact NE-OE1 3.16Å; R367-E371 IonicContact NH2-OE1 2.89Å; R367-E371 PolarHBondContact NH2-OE1 2.82Å; R367-E371 WeakPolarHBondContact O-CG 3.22Å; R367-E371 PolarHBondContact O-N 2.99Å; P368-E371 PolarHBondContact O-N 2.8Å; P368-E371 VanDerWaalsContact O-N 3.17Å; E371-M375 PolarHBondContact O-N 2.88Å; E371-I546 HydrophobicContact CG-CG2 3.37Å; E371-L550 HydrophobicContact CB-CD1 4.05Å; E371-L550 HydrophobicContact CG-CD1 4.22Å; E371-L550 WeakPolarHBondContact O-CD1 3.2Å
372	T	94.9	Very high	93.8	Very high	5 Å²	5	28 Å²	28	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-72.4	-43.7	177	-62	0	0	0	0	112.1	L333 L353 P357 P368 M375 L376	L333-T372 HydrophobicContact CD1-CG2 3.65Å; L353-T372 HydrophobicContact CD1-CG2 4.42Å; P357-T372 HydrophobicContact CG-CG2 3.82Å; P368-T372 WeakPolarHBondContact O-CB 3.38Å; P368-T372 PolarHBondContact O-N 2.93Å; P368-T372 PolarHBondContact O-OG1 3.42Å; T372-M375 WeakPolarHBondContact O-CB 3.29Å; T372-M375 PolarHBondContact O-N 3.43Å; T372-L376 HydrophobicContact CG2-CD1 4.18Å; T372-L376 WeakPolarHBondContact O-CG 3.45Å; T372-L376 PolarHBondContact O-N 2.86Å
373	H	96.9	Very high	93.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-43.3	-179.4	-179.6	-85.3	0	0	0	112.7	P357 A369 M375 L376 Y377 F407 T411 L414 Y423	P357-H373 HydrophobicContact CB-CB 4.3Å; P357-H373 HydrophobicContact CG-CB 4.41Å; A369-H373 WeakPolarHBondContact O-CB 3.4Å; A369-H373 PolarHBondContact O-N 3.02Å; H373-M375 VanDerWaalsContact C-N 3.29Å; H373-M375 PolarHBondContact O-N 2.96Å; H373-L376 PolarHBondContact O-N 2.78Å; H373-Y377 WeakPolarHBondContact O-CB 3.36Å; H373-Y377 PolarHBondContact O-N 3.33Å; H373-F407 AromaticContact CD2-CE2 3.51Å; H373-F407 AromaticContact CE1-CE2 3.81Å; H373-F407 AromaticContact CE1-CZ 3.61Å; H373-F407 AromaticContact NE2-CE2 3.33Å; H373-F407 VanDerWaalsContact NE2-CE2 3.33Å; H373-F407 WeakPolarHBondContact NE2-CE2 3.42Å; H373-F407 AromaticContact NE2-CZ 3.37Å; H373-F407 WeakPolarHBondContact NE2-CZ 3.42Å; H373-T411 PolarHBondContact NE2-OG1 2.9Å; H373-L414 HydrophobicContact CB-CD1 3.41Å; H373-L414 VanDerWaalsContact CB-CD1 3.41Å; H373-Y423 AromaticContact CE1-CD1 3.75Å; H373-Y423 AromaticContact CE1-CE1 3.7Å; H373-Y423 AromaticContact ND1-CE1 3.58Å
374	E	95.5	Very high	93.8	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-62.5	-38	175	179.8	63	-140.2	0	0	111	I370 Y377 Q378 Y422 R547 L550	I370-E374 WeakPolarHBondContact O-CB 3.27Å; I370-E374 PolarHBondContact O-N 2.85Å; E374-Y377 PolarHBondContact O-N 2.69Å; E374-Q378 WeakPolarHBondContact O-CG 3.41Å; E374-Q378 PolarHBondContact O-N 3.48Å; E374-Q378 PolarHBondContact OE1-NE2 2.79Å; E374-Y422 VanDerWaalsContact CD-OH 3.27Å; E374-Y422 PolarHBondContact OE1-OH 2.88Å; E374-Y422 VanDerWaalsContact OE1-OH 3.1Å; E374-Y422 WeakPolarHBondContact OE2-CE1 3.49Å; E374-Y422 PolarHBondContact OE2-OH 3.13Å; E374-R547 HydrophobicContact CB-CG 4.09Å; E374-R547 HydrophobicContact CG-CB 4.11Å; E374-R547 HydrophobicContact CG-CG 4.21Å; E374-L550 HydrophobicContact CB-CD1 4.27Å; E374-L550 HydrophobicContact CG-CB 3.81Å; E374-L550 HydrophobicContact CG-CD1 4.44Å
375	M	94.8	Very high	94.1	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-47.1	174.2	-176.3	-132.2	68.8	0	0	111.9	P331 L332 E371 T372 H373 Y377 Q378 V379 F390 F394	P331-M375 HydrophobicContact CB-CB 3.79Å; P331-M375 HydrophobicContact CB-CG 4.14Å; P331-M375 HydrophobicContact CB-SD 4.42Å; P331-M375 HydrophobicContact CG-CB 4.08Å; P331-M375 HydrophobicContact CG-CG 3.95Å; P331-M375 HydrophobicContact CG-SD 4.36Å; L332-M375 HydrophobicContact CD2-SD 3.76Å; E371-M375 PolarHBondContact O-N 2.88Å; T372-M375 WeakPolarHBondContact O-CB 3.29Å; T372-M375 PolarHBondContact O-N 3.43Å; H373-M375 VanDerWaalsContact C-N 3.29Å; H373-M375 PolarHBondContact O-N 2.96Å; M375-Y377 VanDerWaalsContact C-N 3.31Å; M375-Y377 PolarHBondContact O-N 3.34Å; M375-Q378 PolarHBondContact O-N 3.18Å; M375-V379 WeakPolarHBondContact O-CG2 3.42Å; M375-V379 PolarHBondContact O-N 2.56Å; M375-V379 VanDerWaalsContact O-N 3.11Å; M375-F390 HydrophobicContact CE-CE2 3.78Å; M375-F390 HydrophobicContact CE-CZ 3.84Å; M375-F394 HydrophobicContact CG-CE1 3.64Å; M375-F394 HydrophobicContact CG-CZ 4.1Å; M375-F394 HydrophobicContact SD-CE1 3.68Å; M375-F394 HydrophobicContact SD-CZ 4.44Å
376	L	96.6	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.2	-42.2	175.3	-68.3	168.4	0	0	0	111.3	L353 A354 P357 T372 H373 Q378 V379 I380 L386 F390 F407	L353-L376 HydrophobicContact CD1-CD1 4.24Å; L353-L376 HydrophobicContact CD1-CD2 4.09Å; A354-L376 HydrophobicContact CB-CD1 3.79Å; P357-L376 HydrophobicContact CG-CD1 4.47Å; T372-L376 HydrophobicContact CG2-CD1 4.18Å; T372-L376 WeakPolarHBondContact O-CG 3.45Å; T372-L376 PolarHBondContact O-N 2.86Å; H373-L376 PolarHBondContact O-N 2.78Å; L376-Q378 VanDerWaalsContact C-N 3.32Å; L376-Q378 PolarHBondContact O-N 2.79Å; L376-V379 WeakPolarHBondContact O-CB 3.24Å; L376-V379 PolarHBondContact O-N 3.29Å; L376-V379 VanDerWaalsContact O-N 3.11Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3.35Å; L376-L386 HydrophobicContact CD2-CD1 3.8Å; L376-L386 HydrophobicContact CD2-CD2 4.01Å; L376-F390 HydrophobicContact CD2-CE1 4.25Å; L376-F390 HydrophobicContact CD2-CZ 3.78Å; L376-F407 HydrophobicContact CB-CD2 3.79Å; L376-F407 HydrophobicContact CB-CE2 3.72Å; L376-F407 HydrophobicContact CD1-CD2 4.25Å
377	Y	97.1	Very high	94.7	Very high	8 Å²	8	23.1 Å²	23.1	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-34.5	177.5	-172.5	-152	0	0	0	112.9	H373 E374 M375 V379 I380 K381 F407 Y422 V426 T429	H373-Y377 WeakPolarHBondContact O-CB 3.36Å; H373-Y377 PolarHBondContact O-N 3.33Å; E374-Y377 PolarHBondContact O-N 2.69Å; M375-Y377 VanDerWaalsContact C-N 3.31Å; M375-Y377 PolarHBondContact O-N 3.34Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; Y377-I380 PolarHBondContact O-N 3.15Å; Y377-K381 HydrophobicContact CD2-CD 4.43Å; Y377-K381 HydrophobicContact CD2-CG 4.33Å; Y377-K381 HydrophobicContact CE1-CD 4.44Å; Y377-K381 HydrophobicContact CE2-CD 4.22Å; Y377-K381 HydrophobicContact CE2-CG 4.08Å; Y377-K381 VanDerWaalsContact CZ-NZ 3.29Å; Y377-K381 WeakPolarHBondContact O-CB 3.4Å; Y377-K381 WeakPolarHBondContact O-CG 3.03Å; Y377-K381 PolarHBondContact O-N 3.2Å; Y377-K381 WeakPolarHBondContact OH-CE 3.42Å; Y377-F407 HydrophobicContact CD2-CZ 4.21Å; Y377-F407 HydrophobicContact CG-CZ 4.24Å; Y377-Y422 AromaticContact CD1-CE1 3.92Å; Y377-Y422 HydrophobicContact CD1-CE1 3.92Å; Y377-Y422 AromaticContact CD1-CZ 3.79Å; Y377-Y422 VanDerWaalsContact CD1-OH 3.32Å; Y377-Y422 WeakPolarHBondContact CD1-OH 3.34Å; Y377-Y422 AromaticContact CE1-CE1 3.95Å; Y377-Y422 HydrophobicContact CE1-CE1 3.95Å; Y377-Y422 HydrophobicContact CE1-CE2 4.2Å; Y377-Y422 AromaticContact CE1-CZ 3.55Å; Y377-Y422 VanDerWaalsContact CE1-OH 3.31Å; Y377-Y422 WeakPolarHBondContact CE1-OH 3.22Å; Y377-V426 HydrophobicContact CD1-CG1 4.44Å; Y377-V426 HydrophobicContact CD1-CG2 3.63Å; Y377-V426 HydrophobicContact CD2-CG1 4Å; Y377-V426 HydrophobicContact CE1-CB 4.19Å; Y377-V426 HydrophobicContact CE1-CG1 4.36Å; Y377-V426 HydrophobicContact CE1-CG2 3.23Å; Y377-V426 HydrophobicContact CE2-CB 4.41Å; Y377-V426 HydrophobicContact CE2-CG1 3.98Å; Y377-V426 HydrophobicContact CE2-CG2 4.28Å; Y377-V426 HydrophobicContact CG-CG1 4.25Å; Y377-V426 HydrophobicContact CG-CG2 4.27Å; Y377-T429 HydrophobicContact CE2-CG2 4.24Å; Y377-T429 PolarHBondContact OH-OG1 3.36Å; Y377-T429 VanDerWaalsContact OH-OG1 3.14Å
378	Q	94.9	Very high	95	Very high	11 Å²	11	17.9 Å²	17.9	5%	0.051	8%	0.084	C	C	.	.	H	α-helix	trans	-69.1	-31.4	173.7	-64.3	-77.2	-40.6	0	0	111.8	E374 M375 L376 K382 N552 V554	E374-Q378 WeakPolarHBondContact O-CG 3.41Å; E374-Q378 PolarHBondContact O-N 3.48Å; E374-Q378 PolarHBondContact OE1-NE2 2.79Å; M375-Q378 PolarHBondContact O-N 3.18Å; L376-Q378 VanDerWaalsContact C-N 3.32Å; L376-Q378 PolarHBondContact O-N 2.79Å; Q378-K382 PolarHBondContact O-N 3.01Å; Q378-N552 VanDerWaalsContact OE1-CA 3.31Å; Q378-V554 HydrophobicContact CB-CB 4.02Å; Q378-V554 HydrophobicContact CB-CG2 3.45Å; Q378-V554 VanDerWaalsContact CB-CG2 3.45Å
379	V	95.3	Very high	95.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.2	-46.7	170.7	179.7	0	0	0	0	110.5	M375 L376 Y377 K381 K382 H383 L386 P387 F390 F394 V554	M375-V379 WeakPolarHBondContact O-CG2 3.42Å; M375-V379 PolarHBondContact O-N 2.56Å; M375-V379 VanDerWaalsContact O-N 3.11Å; L376-V379 WeakPolarHBondContact O-CB 3.24Å; L376-V379 PolarHBondContact O-N 3.29Å; L376-V379 VanDerWaalsContact O-N 3.11Å; Y377-V379 VanDerWaalsContact C-N 3.34Å; V379-K381 VanDerWaalsContact C-N 3.33Å; V379-K381 PolarHBondContact O-N 2.74Å; V379-K382 PolarHBondContact O-N 3.21Å; V379-H383 PolarHBondContact O-CD2 3.27Å; V379-H383 PolarHBondContact O-N 2.82Å; V379-L386 HydrophobicContact CB-CD1 4.17Å; V379-L386 HydrophobicContact CG1-CD1 3.93Å; V379-P387 HydrophobicContact CG1-CG 4.33Å; V379-F390 HydrophobicContact CG1-CD2 4.47Å; V379-F390 HydrophobicContact CG1-CG 4.37Å; V379-F390 HydrophobicContact CG2-CD2 4.16Å; V379-F390 HydrophobicContact CG2-CE2 4.04Å; V379-F394 HydrophobicContact CG2-CB 4.28Å; V379-F394 HydrophobicContact CG2-CD1 3.71Å; V379-F394 HydrophobicContact CG2-CG 4.34Å; V379-V554 HydrophobicContact CG2-CG2 4.34Å
380	I	96.1	Very high	95.2	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-41.8	175.5	-69.7	164.4	0	0	0	111.4	L376 Y377 K382 H383 N384 L386 F407 L430	L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3.35Å; Y377-I380 PolarHBondContact O-N 3.15Å; I380-K382 PolarHBondContact O-N 3.12Å; I380-H383 PolarHBondContact O-N 2.92Å; I380-N384 CarbonylContact O-C 3.51Å; I380-N384 WeakPolarHBondContact O-CA 3.44Å; I380-N384 PolarHBondContact O-N 2.91Å; I380-L386 HydrophobicContact CD1-CB 4.23Å; I380-L386 HydrophobicContact CG1-CB 3.89Å; I380-L386 HydrophobicContact CG1-CD1 4.41Å; I380-F407 HydrophobicContact CD1-CB 4.4Å; I380-F407 HydrophobicContact CD1-CD1 3.36Å; I380-F407 HydrophobicContact CD1-CD2 3.79Å; I380-F407 HydrophobicContact CD1-CE1 3.43Å; I380-F407 VanDerWaalsContact CD1-CE1 3.43Å; I380-F407 HydrophobicContact CD1-CE2 3.85Å; I380-F407 HydrophobicContact CD1-CG 3.55Å; I380-F407 HydrophobicContact CD1-CZ 3.68Å; I380-L430 HydrophobicContact CG2-CD2 4.44Å
381	K	94.4	Very high	95.2	Very high	98 Å²	98	18.4 Å²	18.4	43%	0.426	9%	0.087	S	C	.	.	H	α-helix	trans	-62.4	-26.2	175.3	-84.2	169.5	169.1	154.9	0	114.3	Y377 V379 Y422	Y377-K381 HydrophobicContact CD2-CD 4.43Å; Y377-K381 HydrophobicContact CD2-CG 4.33Å; Y377-K381 HydrophobicContact CE1-CD 4.44Å; Y377-K381 HydrophobicContact CE2-CD 4.22Å; Y377-K381 HydrophobicContact CE2-CG 4.08Å; Y377-K381 VanDerWaalsContact CZ-NZ 3.29Å; Y377-K381 WeakPolarHBondContact O-CB 3.4Å; Y377-K381 WeakPolarHBondContact O-CG 3.03Å; Y377-K381 PolarHBondContact O-N 3.2Å; Y377-K381 WeakPolarHBondContact OH-CE 3.42Å; V379-K381 VanDerWaalsContact C-N 3.33Å; V379-K381 PolarHBondContact O-N 2.74Å; K381-Y422 PolarHBondContact NZ-OH 3.15Å
382	K	93.6	Very high	95	Very high	80 Å²	80	20 Å²	20	35%	0.348	10%	0.099	S	C	.	.	H	α-helix	trans	-86.3	-37.4	178.4	177	173.4	169.1	-173.5	0	113	Q378 V379 I380 F394 V554	Q378-K382 PolarHBondContact O-N 3.01Å; V379-K382 PolarHBondContact O-N 3.21Å; I380-K382 PolarHBondContact O-N 3.12Å; K382-F394 WeakPolarHBondContact CE-O 2.99Å; K382-F394 PolarHBondContact NZ-O 2.99Å; K382-V554 HydrophobicContact CB-CG1 3.82Å; K382-V554 HydrophobicContact CD-CG1 3.23Å; K382-V554 HydrophobicContact CG-CG1 4.18Å
383	H	93.7	Very high	94.7	Very high	23 Å²	23	22.2 Å²	22.2	11%	0.106	11%	0.11	C	C	.	.	H	α-helix	trans	-114.2	5.8	-172.2	-53.1	-70.4	0	0	0	114.2	V379 I380 F385 F394 V450	V379-H383 PolarHBondContact O-CD2 3.27Å; V379-H383 PolarHBondContact O-N 2.82Å; I380-H383 PolarHBondContact O-N 2.92Å; H383-F385 PolarHBondContact O-N 3.18Å; H383-F394 PolarHBondContact NE2-O 3.21Å; H383-F394 VanDerWaalsContact NE2-O 3.11Å; H383-V450 HydrophobicContact CB-CG2 4.22Å
384	N	94.5	Very high	94.4	Very high	50 Å²	50	22.9 Å²	22.9	27%	0.267	11%	0.113	S	C	.	.	S	Bend	trans	67.2	-33.9	-172.6	-46.4	-84.6	0	0	0	115.3	I380 N433 Y437	I380-N384 CarbonylContact O-C 3.51Å; I380-N384 WeakPolarHBondContact O-CA 3.44Å; I380-N384 PolarHBondContact O-N 2.91Å; N384-N433 PolarHBondContact O-ND2 3.16Å; N384-Y437 HydrophobicContact CB-CD2 3.86Å; N384-Y437 HydrophobicContact CB-CE2 3.49Å; N384-Y437 VanDerWaalsContact CB-CE2 3.49Å; N384-Y437 VanDerWaalsContact CG-CE2 3.44Å; N384-Y437 WeakPolarHBondContact OD1-CE2 3.48Å; N384-Y437 PolarHBondContact OD1-OH 3.34Å
385	F	96.1	Very high	94.2	Very high	12 Å²	12	30.3 Å²	30.3	5%	0.053	14%	0.141	C	C	.	.	S	Bend	trans	-127.3	169.9	171.5	-64.3	-77.3	0	0	0	110.5	H383 P387 H401 N433 L434 Y437 A438 M447 V450	H383-F385 PolarHBondContact O-N 3.18Å; F385-P387 VanDerWaalsContact O-CD 3.32Å; F385-P387 WeakPolarHBondContact O-CD 3.3Å; F385-H401 HydrophobicContact CB-CB 4.15Å; F385-H401 AromaticContact CD1-CD2 3.5Å; F385-H401 AromaticContact CD1-NE2 3.46Å; F385-H401 WeakPolarHBondContact CD1-NE2 3.24Å; F385-H401 AromaticContact CG-CD2 3.63Å; F385-H401 AromaticContact CG-NE2 4Å; F385-N433 HydrophobicContact CE1-CB 4.32Å; F385-N433 HydrophobicContact CZ-CB 4.4Å; F385-L434 HydrophobicContact CE1-CD2 4.02Å; F385-L434 HydrophobicContact CE1-CG 4.41Å; F385-Y437 HydrophobicContact CE2-CD2 4.21Å; F385-Y437 HydrophobicContact CE2-CG 4.32Å; F385-A438 HydrophobicContact CZ-CB 4.07Å; F385-M447 HydrophobicContact CD2-CG 3.76Å; F385-M447 HydrophobicContact CE2-CG 3.67Å; F385-M447 HydrophobicContact CE2-SD 3.89Å; F385-M447 HydrophobicContact CZ-CG 4.42Å; F385-V450 HydrophobicContact CB-CG1 3.93Å; F385-V450 HydrophobicContact CD2-CG1 4.3Å
386	L	95.9	Very high	94.1	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.031	15%	0.147	C	C	.	.			trans	-80.8	112.1	169.2	-169.5	66.3	0	0	0	107.8	A351 A354 L376 V379 I380 F390 H401	A351-L386 HydrophobicContact CB-CD2 3.88Å; A351-L386 HydrophobicContact CB-CG 4.07Å; A354-L386 HydrophobicContact CB-CD2 3.93Å; L376-L386 HydrophobicContact CD2-CD1 3.8Å; L376-L386 HydrophobicContact CD2-CD2 4.01Å; V379-L386 HydrophobicContact CB-CD1 4.17Å; V379-L386 HydrophobicContact CG1-CD1 3.93Å; I380-L386 HydrophobicContact CD1-CB 4.23Å; I380-L386 HydrophobicContact CG1-CB 3.89Å; I380-L386 HydrophobicContact CG1-CD1 4.41Å; L386-F390 HydrophobicContact CD1-CD1 4.22Å; L386-F390 HydrophobicContact CD1-CE1 3.75Å; L386-F390 HydrophobicContact CD1-CZ 4.3Å; L386-F390 HydrophobicContact CG-CE1 4.4Å; L386-H401 PolarHBondContact O-ND1 2.99Å
387	P	96.6	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.			trans	-64.4	142.9	176.5	28.8	-36.6	0	0	0	110.5	V379 F385 A389 F390 V396 W398 V450	V379-P387 HydrophobicContact CG1-CG 4.33Å; F385-P387 VanDerWaalsContact O-CD 3.32Å; F385-P387 WeakPolarHBondContact O-CD 3.3Å; P387-A389 PolarHBondContact O-N 3.06Å; P387-F390 HydrophobicContact CG-CB 3.95Å; P387-F390 HydrophobicContact CG-CD1 4.28Å; P387-F390 HydrophobicContact CG-CG 4.47Å; P387-V396 HydrophobicContact CB-CB 4.45Å; P387-V396 HydrophobicContact CB-CG1 4.06Å; P387-V396 HydrophobicContact CB-CG2 4.05Å; P387-V396 HydrophobicContact CG-CG2 4.13Å; P387-W398 WeakPolarHBondContact CB-O 3.21Å; P387-V450 HydrophobicContact CB-CG2 4.11Å
388	E	95.1	Very high	93.8	Very high	28 Å²	28	40.1 Å²	40.1	13%	0.131	18%	0.184	C	C	.	.	S	Bend	trans	-52	-27.9	-176.2	-166.1	72.3	172.8	0	0	113	D350 A351 W398 Q400 P402 R404	D350-E388 CarbonylContact C-O 3.56Å; D350-E388 VanDerWaalsContact CA-O 3.22Å; D350-E388 WeakPolarHBondContact CA-O 3.32Å; A351-E388 PolarHBondContact N-O 3.1Å; E388-W398 HydrophobicContact CB-CB 4.33Å; E388-W398 PolarHBondContact N-O 2.92Å; E388-Q400 HydrophobicContact CB-CB 4.23Å; E388-Q400 WeakPolarHBondContact CB-O 3.43Å; E388-Q400 PolarHBondContact N-O 2.85Å; E388-P402 VanDerWaalsContact OE2-CD 3.22Å; E388-P402 WeakPolarHBondContact OE2-CD 3.47Å; E388-R404 IonicContact OE1-CZ 3.72Å; E388-R404 IonicContact OE1-NE 2.92Å; E388-R404 PolarHBondContact OE1-NE 2.82Å; E388-R404 VanDerWaalsContact OE1-NE 3.1Å; E388-R404 IonicContact OE1-NH2 3.93Å; E388-R404 PolarHBondContact OE1-NH2 3.16Å; E388-R404 IonicContact OE2-NE 3.25Å; E388-R404 PolarHBondContact OE2-NE 3.12Å; E388-R404 VanDerWaalsContact OE2-NE 3.14Å
389	A	95.5	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.5	158.1	0	0	0	0	0	113.1	W348 M349 P387 H397 W398	W348-A389 HydrophobicContact CD2-CB 4.35Å; W348-A389 HydrophobicContact CE3-CB 3.8Å; W348-A389 HydrophobicContact CZ3-CB 4.22Å; M349-A389 CarbonylContact O-C 3.35Å; M349-A389 WeakPolarHBondContact O-CA 3.23Å; M349-A389 WeakPolarHBondContact O-CB 3.39Å; P387-A389 PolarHBondContact O-N 3.06Å; A389-H397 HydrophobicContact CB-CB 4.04Å; A389-H397 WeakPolarHBondContact O-CA 3.19Å; A389-H397 WeakPolarHBondContact O-CB 3.18Å; A389-H397 PolarHBondContact O-N 2.03Å; A389-W398 HydrophobicContact CB-CB 4.05Å; A389-W398 HydrophobicContact CB-CD2 3.79Å; A389-W398 HydrophobicContact CB-CE3 3.57Å; A389-W398 HydrophobicContact CB-CG 4.02Å; A389-W398 HydrophobicContact CB-CZ3 4.3Å; A389-W398 PolarHBondContact N-O 2.66Å; A389-W398 PolarHBondContact O-N 2.66Å
390	F	95	Very high	93.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.3	176.6	58.2	-77.4	0	0	0	113.7	W348 M349 M375 L376 V379 L386 P387 F394 R395	W348-F390 CarbonylContact C-O 3.57Å; W348-F390 VanDerWaalsContact CA-O 3.23Å; W348-F390 WeakPolarHBondContact CA-O 3.39Å; W348-F390 WeakPolarHBondContact CB-O 3.36Å; M349-F390 HydrophobicContact CB-CE1 4.1Å; M349-F390 HydrophobicContact CB-CE2 4.19Å; M349-F390 HydrophobicContact CB-CZ 3.9Å; M349-F390 HydrophobicContact CE-CD2 3.84Å; M349-F390 HydrophobicContact CE-CE2 3.39Å; M349-F390 HydrophobicContact CE-CZ 4.13Å; M349-F390 PolarHBondContact N-O 3.09Å; M349-F390 PolarHBondContact O-N 3.45Å; M349-F390 HydrophobicContact SD-CE2 4.07Å; M349-F390 HydrophobicContact SD-CZ 4.25Å; M375-F390 HydrophobicContact CE-CE2 3.78Å; M375-F390 HydrophobicContact CE-CZ 3.84Å; L376-F390 HydrophobicContact CD2-CE1 4.25Å; L376-F390 HydrophobicContact CD2-CZ 3.78Å; V379-F390 HydrophobicContact CG1-CD2 4.47Å; V379-F390 HydrophobicContact CG1-CG 4.37Å; V379-F390 HydrophobicContact CG2-CD2 4.16Å; V379-F390 HydrophobicContact CG2-CE2 4.04Å; L386-F390 HydrophobicContact CD1-CD1 4.22Å; L386-F390 HydrophobicContact CD1-CE1 3.75Å; L386-F390 HydrophobicContact CD1-CZ 4.3Å; L386-F390 HydrophobicContact CG-CE1 4.4Å; P387-F390 HydrophobicContact CG-CB 3.95Å; P387-F390 HydrophobicContact CG-CD1 4.28Å; P387-F390 HydrophobicContact CG-CG 4.47Å; F390-F394 HydrophobicContact CD2-CD1 4.4Å; F390-F394 HydrophobicContact CE2-CD1 4.47Å; F390-R395 CarbonylContact C-O 3.45Å; F390-R395 WeakPolarHBondContact CA-O 3.26Å; F390-R395 VanDerWaalsContact CB-O 3.24Å; F390-R395 WeakPolarHBondContact CB-O 3.25Å
391	T	93.6	Very high	93.8	Very high	28 Å²	28	44.6 Å²	44.6	17%	0.172	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	165	178.6	54.9	0	0	0	0	112.7	D393 F394 R395 H397	T391-D393 WeakPolarHBondContact CB-OD1 3.49Å; T391-D393 PolarHBondContact O-N 3.11Å; T391-D393 VanDerWaalsContact O-N 3.14Å; T391-D393 PolarHBondContact OG1-OD1 2.66Å; T391-F394 WeakPolarHBondContact O-CA 3.26Å; T391-F394 PolarHBondContact O-N 3.35Å; T391-R395 PolarHBondContact N-O 3.28Å; T391-R395 WeakPolarHBondContact OG1-CB 3.49Å; T391-R395 PolarHBondContact OG1-N 3.01Å; T391-R395 VanDerWaalsContact OG1-N 3.14Å; T391-R395 PolarHBondContact OG1-O 2.86Å; T391-H397 HydrophobicContact CG2-CB 4.47Å
392	T	89.6	Confident	93.8	Very high	62 Å²	62	40.4 Å²	40.4	38%	0.38	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.5	173.9	52.7	0	0	0	0	114.9	L332 L334	L332-T392 HydrophobicContact CD1-CG2 4.12Å; L334-T392 HydrophobicContact CD1-CG2 3.84Å; L334-T392 HydrophobicContact CD2-CG2 3.76Å; L334-T392 HydrophobicContact CG-CG2 4.46Å
393	D	88.3	Confident	94	Very high	51 Å²	51	36.6 Å²	36.6	27%	0.273	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	17.1	172.2	80.7	-34.5	0	0	0	113.7	T391 R395	T391-D393 WeakPolarHBondContact CB-OD1 3.49Å; T391-D393 PolarHBondContact O-N 3.11Å; T391-D393 VanDerWaalsContact O-N 3.14Å; T391-D393 PolarHBondContact OG1-OD1 2.66Å; D393-R395 PolarHBondContact O-N 3.1Å; D393-R395 IonicContact OD1-NE 2.72Å; D393-R395 IonicContact OD2-CZ 3.51Å; D393-R395 IonicContact OD2-NE 3.89Å; D393-R395 PolarHBondContact OD2-NE 3.41Å; D393-R395 IonicContact OD2-NH2 3.06Å; D393-R395 PolarHBondContact OD2-NH2 2.91Å
394	F	90.9	Very high	94.1	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.057	18%	0.176	C	C	.	.	S	Bend	trans	62.8	37.3	172.3	-42.9	-69	0	0	0	113.9	L332 M375 V379 K382 H383 F390 T391 V553 V554	L332-F394 HydrophobicContact CD2-CE1 3.99Å; L332-F394 HydrophobicContact CD2-CZ 4.12Å; M375-F394 HydrophobicContact CG-CE1 3.64Å; M375-F394 HydrophobicContact CG-CZ 4.1Å; M375-F394 HydrophobicContact SD-CE1 3.68Å; M375-F394 HydrophobicContact SD-CZ 4.44Å; V379-F394 HydrophobicContact CG2-CB 4.28Å; V379-F394 HydrophobicContact CG2-CD1 3.71Å; V379-F394 HydrophobicContact CG2-CG 4.34Å; K382-F394 WeakPolarHBondContact CE-O 2.99Å; K382-F394 PolarHBondContact NZ-O 2.99Å; H383-F394 PolarHBondContact NE2-O 3.21Å; H383-F394 VanDerWaalsContact NE2-O 3.11Å; F390-F394 HydrophobicContact CD2-CD1 4.4Å; F390-F394 HydrophobicContact CE2-CD1 4.47Å; T391-F394 WeakPolarHBondContact O-CA 3.26Å; T391-F394 PolarHBondContact O-N 3.35Å; F394-V553 HydrophobicContact CE2-CG1 3.64Å; F394-V553 HydrophobicContact CZ-CG1 3.97Å; F394-V554 HydrophobicContact CB-CG1 4.04Å; F394-V554 HydrophobicContact CB-CG2 4.04Å; F394-V554 HydrophobicContact CD1-CG2 4.1Å; F394-V554 HydrophobicContact CD2-CB 4.36Å; F394-V554 HydrophobicContact CD2-CG2 3.77Å; F394-V554 HydrophobicContact CE2-CG2 4.25Å; F394-V554 HydrophobicContact CG-CB 4.48Å; F394-V554 HydrophobicContact CG-CG2 3.68Å
395	R	90.2	Very high	94.3	Very high	158 Å²	158	35.4 Å²	35.4	60%	0.596	16%	0.164	S	C	*	.			trans	-96.9	150.4	165.5	-56.2	-175	-152.5	-159.2	6.8	110	F390 T391 D393 H397	F390-R395 CarbonylContact C-O 3.45Å; F390-R395 WeakPolarHBondContact CA-O 3.26Å; F390-R395 VanDerWaalsContact CB-O 3.24Å; F390-R395 WeakPolarHBondContact CB-O 3.25Å; T391-R395 PolarHBondContact N-O 3.28Å; T391-R395 WeakPolarHBondContact OG1-CB 3.49Å; T391-R395 PolarHBondContact OG1-N 3.01Å; T391-R395 VanDerWaalsContact OG1-N 3.14Å; T391-R395 PolarHBondContact OG1-O 2.86Å; D393-R395 PolarHBondContact O-N 3.1Å; D393-R395 IonicContact OD1-NE 2.72Å; D393-R395 IonicContact OD2-CZ 3.51Å; D393-R395 IonicContact OD2-NE 3.89Å; D393-R395 PolarHBondContact OD2-NE 3.41Å; D393-R395 IonicContact OD2-NH2 3.06Å; D393-R395 PolarHBondContact OD2-NH2 2.91Å; R395-H397 PolarHBondContact O-N 2.69Å
396	V	93.1	Very high	94.4	Very high	22 Å²	22	35.7 Å²	35.7	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	123.1	171	177	0	0	0	0	109.6	P387 A399 V450 R451	P387-V396 HydrophobicContact CB-CB 4.45Å; P387-V396 HydrophobicContact CB-CG1 4.06Å; P387-V396 HydrophobicContact CB-CG2 4.05Å; P387-V396 HydrophobicContact CG-CG2 4.13Å; V396-A399 HydrophobicContact CG1-CB 3.53Å; V396-V450 HydrophobicContact CG2-CG2 4.14Å; V396-R451 HydrophobicContact CB-CG 4.34Å; V396-R451 HydrophobicContact CG1-CG 4.43Å; V396-R451 HydrophobicContact CG2-CG 3.88Å
397	H	94.1	Very high	94.6	Very high	79 Å²	79	35.7 Å²	35.7	37%	0.366	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-54.6	168.1	-174	65.4	0	0	0	109.6	W348 A389 T391 R395	W348-H397 HydrophobicContact CB-CB 4.25Å; W348-H397 AromaticContact CD1-CD2 3.57Å; W348-H397 AromaticContact CD1-CE1 3.82Å; W348-H397 AromaticContact CD1-NE2 3.45Å; W348-H397 AromaticContact CD2-CD2 3.92Å; W348-H397 AromaticContact CE2-CD2 3.97Å; W348-H397 AromaticContact CE2-NE2 3.96Å; W348-H397 AromaticContact CG-CD2 3.67Å; W348-H397 AromaticContact NE1-CD2 3.74Å; W348-H397 AromaticContact NE1-NE2 3.37Å; W348-H397 PolarHBondContact NE1-NE2 2.77Å; A389-H397 HydrophobicContact CB-CB 4.04Å; A389-H397 WeakPolarHBondContact O-CA 3.19Å; A389-H397 WeakPolarHBondContact O-CB 3.18Å; A389-H397 PolarHBondContact O-N 2.03Å; T391-H397 HydrophobicContact CG2-CB 4.47Å; R395-H397 PolarHBondContact O-N 2.69Å
398	W	93.5	Very high	94.7	Very high	117 Å²	117	35.7 Å²	35.7	44%	0.443	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.1	169.9	-59.6	-26.4	0	0	0	109.2	W348 P387 E388 A389	W348-W398 AromaticContact CH2-CH2 3.31Å; W348-W398 HydrophobicContact CH2-CH2 3.31Å; W348-W398 HydrophobicContact CH2-CZ2 4Å; W348-W398 AromaticContact CH2-CZ3 3.7Å; W348-W398 HydrophobicContact CH2-CZ3 3.7Å; W348-W398 AromaticContact CZ2-CH2 3.57Å; W348-W398 HydrophobicContact CZ2-CH2 3.57Å; W348-W398 AromaticContact CZ2-CZ2 3.77Å; W348-W398 HydrophobicContact CZ2-CZ2 3.77Å; W348-W398 HydrophobicContact CZ2-CZ3 4.32Å; W348-W398 HydrophobicContact CZ3-CH2 4.09Å; W348-W398 HydrophobicContact CZ3-CZ3 4.03Å; P387-W398 WeakPolarHBondContact CB-O 3.21Å; E388-W398 HydrophobicContact CB-CB 4.33Å; E388-W398 PolarHBondContact N-O 2.92Å; A389-W398 HydrophobicContact CB-CB 4.05Å; A389-W398 HydrophobicContact CB-CD2 3.79Å; A389-W398 HydrophobicContact CB-CE3 3.57Å; A389-W398 HydrophobicContact CB-CG 4.02Å; A389-W398 HydrophobicContact CB-CZ3 4.3Å; A389-W398 PolarHBondContact N-O 2.66Å; A389-W398 PolarHBondContact O-N 2.66Å
399	A	94.4	Very high	94.8	Very high	12 Å²	12	34.8 Å²	34.8	10%	0.099	16%	0.161	C	C	.	.			trans	-88.9	-5.3	-165.3	0	0	0	0	0	115.3	V396 D449 V450	V396-A399 HydrophobicContact CG1-CB 3.53Å; A399-D449 HydrophobicContact CB-CB 3.98Å; A399-D449 VanDerWaalsContact CB-CG 3.44Å; A399-D449 WeakPolarHBondContact CB-OD1 3.39Å; A399-D449 CarbonylContact O-C 3.53Å; A399-D449 VanDerWaalsContact O-CA 3.26Å; A399-D449 WeakPolarHBondContact O-CA 3.26Å; A399-V450 WeakPolarHBondContact O-CG1 3.33Å; A399-V450 PolarHBondContact O-N 2.63Å
400	Q	94.2	Very high	95	Very high	89 Å²	89	34.8 Å²	34.8	42%	0.416	16%	0.161	S	C	.	.			trans	-66.2	158.6	177.8	-70.8	159.5	-32.1	0	0	111	E388 M447 K448	E388-Q400 HydrophobicContact CB-CB 4.23Å; E388-Q400 WeakPolarHBondContact CB-O 3.43Å; E388-Q400 PolarHBondContact N-O 2.85Å; Q400-M447 CarbonylContact C-O 3.57Å; Q400-M447 VanDerWaalsContact CA-O 3.29Å; Q400-M447 WeakPolarHBondContact CA-O 3.12Å; Q400-K448 WeakPolarHBondContact CG-O 3.33Å
401	H	96.7	Very high	95.1	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.037	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-153	96.5	164.3	175.7	78.6	0	0	0	108.3	F385 L386 L403 M447 V450	F385-H401 HydrophobicContact CB-CB 4.15Å; F385-H401 AromaticContact CD1-CD2 3.5Å; F385-H401 AromaticContact CD1-NE2 3.46Å; F385-H401 WeakPolarHBondContact CD1-NE2 3.24Å; F385-H401 AromaticContact CG-CD2 3.63Å; F385-H401 AromaticContact CG-NE2 4Å; L386-H401 PolarHBondContact O-ND1 2.99Å; H401-L403 PolarHBondContact O-N 2.8Å; H401-M447 HydrophobicContact CB-CB 4.16Å; H401-M447 HydrophobicContact CB-CG 4.46Å; H401-M447 PolarHBondContact N-O 3.13Å; H401-M447 PolarHBondContact O-N 3.13Å; H401-V450 HydrophobicContact CB-CG1 3.72Å
402	P	95.5	Very high	95.3	Very high	10 Å²	10	33.9 Å²	33.9	7%	0.065	15%	0.154	C	C	.	.			trans	-79.5	45.4	-179.1	34.8	-36.3	0	0	0	112.3	E388 R404 A446 F462	E388-P402 VanDerWaalsContact OE2-CD 3.22Å; E388-P402 WeakPolarHBondContact OE2-CD 3.47Å; P402-R404 VanDerWaalsContact C-N 3.27Å; P402-R404 HydrophobicContact CG-CG 3.95Å; P402-R404 PolarHBondContact O-N 3.01Å; P402-A446 HydrophobicContact CB-CB 4.39Å; P402-F462 WeakPolarHBondContact O-CE2 3.47Å; P402-F462 WeakPolarHBondContact O-CZ 3.24Å
403	L	97.4	Very high	95.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	14%	0.143	C	C	.	.			trans	59.2	32.7	177.8	-44.2	179.5	0	0	0	114.9	H401 L434 A438 F444 F463	H401-L403 PolarHBondContact O-N 2.8Å; L403-L434 HydrophobicContact CD2-CD2 4.25Å; L403-A438 HydrophobicContact CD2-CB 3.73Å; L403-F444 HydrophobicContact CD1-CB 3.85Å; L403-F463 HydrophobicContact CB-CD2 3.42Å; L403-F463 VanDerWaalsContact CB-CD2 3.42Å; L403-F463 HydrophobicContact CB-CE2 3.84Å; L403-F463 HydrophobicContact CB-CG 4.08Å; L403-F463 HydrophobicContact CD1-CD1 4Å; L403-F463 HydrophobicContact CD1-CD2 3.83Å; L403-F463 HydrophobicContact CD1-CE1 4.15Å; L403-F463 HydrophobicContact CD1-CE2 3.99Å; L403-F463 HydrophobicContact CD1-CG 3.84Å; L403-F463 HydrophobicContact CD1-CZ 4.14Å; L403-F463 HydrophobicContact CG-CD2 4.24Å; L403-F463 HydrophobicContact CG-CE2 4.41Å
404	R	96.9	Very high	96	Very high	46 Å²	46	30 Å²	30	17%	0.174	13%	0.13	C	C	.	.			trans	-46	122.4	-177.2	-73.9	-73.9	178.7	-153.7	3.9	114.6	E388 P402 E406 M467	E388-R404 IonicContact OE1-CZ 3.72Å; E388-R404 IonicContact OE1-NE 2.92Å; E388-R404 PolarHBondContact OE1-NE 2.82Å; E388-R404 VanDerWaalsContact OE1-NE 3.1Å; E388-R404 IonicContact OE1-NH2 3.93Å; E388-R404 PolarHBondContact OE1-NH2 3.16Å; E388-R404 IonicContact OE2-NE 3.25Å; E388-R404 PolarHBondContact OE2-NE 3.12Å; E388-R404 VanDerWaalsContact OE2-NE 3.14Å; P402-R404 VanDerWaalsContact C-N 3.27Å; P402-R404 HydrophobicContact CG-CG 3.95Å; P402-R404 PolarHBondContact O-N 3.01Å; R404-E406 WeakPolarHBondContact CB-OE2 3.45Å; R404-E406 WeakPolarHBondContact CD-OE1 3.1Å; R404-M467 WeakPolarHBondContact O-CE 3.28Å
405	P	98.2	Very high	96.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	14%	0.136	C	C	.	.			trans	-85.4	-16.9	-171	31.3	-35.7	0	0	0	116.7	F407 A408 E409 F462 E466 M467	P405-F407 VanDerWaalsContact C-N 3.29Å; P405-F407 PolarHBondContact O-N 2.87Å; P405-A408 WeakPolarHBondContact O-CA 3.15Å; P405-A408 VanDerWaalsContact O-CB 3.3Å; P405-A408 WeakPolarHBondContact O-CB 3.28Å; P405-A408 PolarHBondContact O-N 3.21Å; P405-E409 PolarHBondContact O-N 3.47Å; P405-E409 VanDerWaalsContact O-N 3.07Å; P405-F462 HydrophobicContact CG-CD2 4.18Å; P405-E466 HydrophobicContact CB-CB 3.55Å; P405-E466 HydrophobicContact CB-CG 4.43Å; P405-E466 HydrophobicContact CG-CB 3.85Å; P405-E466 VanDerWaalsContact CG-CD 3.48Å; P405-E466 HydrophobicContact CG-CG 4.22Å; P405-E466 VanDerWaalsContact CG-OE1 3.28Å; P405-E466 WeakPolarHBondContact CG-OE1 3.25Å; P405-M467 HydrophobicContact CB-CB 4.46Å; P405-M467 HydrophobicContact CB-CG 3.98Å
406	E	98.6	Very high	96.3	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.084	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-28.1	-160	-38.1	75.4	-169.6	0	0	112.2	L352 A354 F355 R404 A408 E409 S410	L352-E406 HydrophobicContact CD2-CG 4.49Å; L352-E406 WeakPolarHBondContact CD2-OE1 3.47Å; A354-E406 HydrophobicContact CB-CB 4.16Å; A354-E406 VanDerWaalsContact O-O 3.05Å; F355-E406 HydrophobicContact CB-CB 3.93Å; F355-E406 HydrophobicContact CB-CG 4.4Å; R404-E406 WeakPolarHBondContact CB-OE2 3.45Å; R404-E406 WeakPolarHBondContact CD-OE1 3.1Å; E406-A408 VanDerWaalsContact C-N 3.34Å; E406-E409 WeakPolarHBondContact O-CB 3.47Å; E406-E409 PolarHBondContact O-N 2.97Å; E406-S410 PolarHBondContact O-N 3.12Å
407	F	98.4	Very high	96.2	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-30.5	170.4	-177.1	-96.6	0	0	0	112.8	A354 H373 L376 Y377 I380 P405 T411 V426 L430	A354-F407 HydrophobicContact CB-CB 3.99Å; H373-F407 AromaticContact CD2-CE2 3.51Å; H373-F407 AromaticContact CE1-CE2 3.81Å; H373-F407 AromaticContact CE1-CZ 3.61Å; H373-F407 AromaticContact NE2-CE2 3.33Å; H373-F407 VanDerWaalsContact NE2-CE2 3.33Å; H373-F407 WeakPolarHBondContact NE2-CE2 3.42Å; H373-F407 AromaticContact NE2-CZ 3.37Å; H373-F407 WeakPolarHBondContact NE2-CZ 3.42Å; L376-F407 HydrophobicContact CB-CD2 3.79Å; L376-F407 HydrophobicContact CB-CE2 3.72Å; L376-F407 HydrophobicContact CD1-CD2 4.25Å; Y377-F407 HydrophobicContact CD2-CZ 4.21Å; Y377-F407 HydrophobicContact CG-CZ 4.24Å; I380-F407 HydrophobicContact CD1-CB 4.4Å; I380-F407 HydrophobicContact CD1-CD1 3.36Å; I380-F407 HydrophobicContact CD1-CD2 3.79Å; I380-F407 HydrophobicContact CD1-CE1 3.43Å; I380-F407 VanDerWaalsContact CD1-CE1 3.43Å; I380-F407 HydrophobicContact CD1-CE2 3.85Å; I380-F407 HydrophobicContact CD1-CG 3.55Å; I380-F407 HydrophobicContact CD1-CZ 3.68Å; P405-F407 VanDerWaalsContact C-N 3.29Å; P405-F407 PolarHBondContact O-N 2.87Å; F407-T411 WeakPolarHBondContact O-CB 3.35Å; F407-T411 PolarHBondContact O-N 3.25Å; F407-T411 VanDerWaalsContact O-N 3.07Å; F407-T411 PolarHBondContact O-OG1 3.2Å; F407-V426 HydrophobicContact CE1-CG1 3.56Å; F407-V426 HydrophobicContact CZ-CG1 3.7Å; F407-L430 HydrophobicContact CD1-CD1 3.82Å; F407-L430 HydrophobicContact CD1-CD2 3.88Å; F407-L430 HydrophobicContact CD1-CG 4.4Å; F407-L430 HydrophobicContact CE1-CD1 3.99Å; F407-L430 HydrophobicContact CE1-CD2 3.95Å; F407-L430 HydrophobicContact CE1-CG 4.33Å
408	A	98.6	Very high	95.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-74.4	-40.1	173.6	0	0	0	0	0	111.3	P405 E406 T411 Y412 L430 M467 L471	P405-A408 WeakPolarHBondContact O-CA 3.15Å; P405-A408 VanDerWaalsContact O-CB 3.3Å; P405-A408 WeakPolarHBondContact O-CB 3.28Å; P405-A408 PolarHBondContact O-N 3.21Å; E406-A408 VanDerWaalsContact C-N 3.34Å; A408-T411 WeakPolarHBondContact O-CB 3.47Å; A408-T411 PolarHBondContact O-N 2.9Å; A408-Y412 PolarHBondContact O-N 2.91Å; A408-L430 HydrophobicContact CB-CD1 4.21Å; A408-M467 HydrophobicContact CB-CE 4.27Å; A408-M467 HydrophobicContact CB-SD 3.84Å; A408-L471 HydrophobicContact CB-CD2 4.41Å; A408-L471 HydrophobicContact CB-CG 4.4Å
409	E	98.5	Very high	95.7	Very high	9 Å²	9	23 Å²	23	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-51.9	-58.1	169.2	-179	-164.5	-160.2	0	0	110.7	K302 F355 P405 E406 T411 Y412 F413 Y470	K302-E409 IonicContact NZ-OE1 3.28Å; F355-E409 WeakPolarHBondContact CB-OE2 3.44Å; P405-E409 PolarHBondContact O-N 3.47Å; P405-E409 VanDerWaalsContact O-N 3.07Å; E406-E409 WeakPolarHBondContact O-CB 3.47Å; E406-E409 PolarHBondContact O-N 2.97Å; E409-T411 VanDerWaalsContact C-N 3.26Å; E409-T411 PolarHBondContact O-N 2.84Å; E409-Y412 WeakPolarHBondContact O-CB 3.27Å; E409-Y412 PolarHBondContact O-N 3.03Å; E409-F413 HydrophobicContact CG-CD2 3.7Å; E409-F413 HydrophobicContact CG-CE2 3.52Å; E409-F413 WeakPolarHBondContact O-CD2 3.45Å; E409-F413 PolarHBondContact O-N 2.86Å; E409-Y470 HydrophobicContact CB-CD1 4.41Å; E409-Y470 HydrophobicContact CB-CD2 3.81Å; E409-Y470 HydrophobicContact CB-CE1 4.24Å; E409-Y470 HydrophobicContact CB-CE2 3.59Å; E409-Y470 HydrophobicContact CB-CG 4.22Å; E409-Y470 HydrophobicContact CG-CD1 4.46Å; E409-Y470 HydrophobicContact CG-CD2 4.47Å; E409-Y470 HydrophobicContact CG-CE1 3.9Å; E409-Y470 HydrophobicContact CG-CE2 3.9Å
410	S	98.4	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-34.9	179.1	-81.7	0	0	0	0	113.2	A354 F355 G358 E406 L414	A354-S410 VanDerWaalsContact O-CB 3.31Å; A354-S410 WeakPolarHBondContact O-CB 3.15Å; A354-S410 PolarHBondContact O-OG 3.04Å; F355-S410 PolarHBondContact O-OG 3.18Å; G358-S410 PolarHBondContact N-OG 3.37Å; E406-S410 PolarHBondContact O-N 3.12Å; S410-L414 VanDerWaalsContact O-CB 3.27Å; S410-L414 WeakPolarHBondContact O-CB 3.22Å; S410-L414 WeakPolarHBondContact O-CG 3.43Å; S410-L414 PolarHBondContact O-N 2.74Å
411	T	98.5	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.3	-41	174.8	-57.4	0	0	0	0	111.4	H373 F407 A408 E409 Y415 Y423 V426 L474	H373-T411 PolarHBondContact NE2-OG1 2.9Å; F407-T411 WeakPolarHBondContact O-CB 3.35Å; F407-T411 PolarHBondContact O-N 3.25Å; F407-T411 VanDerWaalsContact O-N 3.07Å; F407-T411 PolarHBondContact O-OG1 3.2Å; A408-T411 WeakPolarHBondContact O-CB 3.47Å; A408-T411 PolarHBondContact O-N 2.9Å; E409-T411 VanDerWaalsContact C-N 3.26Å; E409-T411 PolarHBondContact O-N 2.84Å; T411-Y415 WeakPolarHBondContact O-CB 3.21Å; T411-Y415 PolarHBondContact O-N 2.81Å; T411-Y423 HydrophobicContact CG2-CD1 4.38Å; T411-Y423 WeakPolarHBondContact CG2-O 3.45Å; T411-V426 HydrophobicContact CG2-CB 4.06Å; T411-V426 HydrophobicContact CG2-CG1 4Å; T411-L474 HydrophobicContact CG2-CD1 4.47Å; T411-L474 HydrophobicContact CG2-CD2 3.85Å
412	Y	97.9	Very high	95.1	Very high	8 Å²	8	21.6 Å²	21.6	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-52	175.6	169.4	-107.4	0	0	0	111.9	A408 E409 L414 Y415 K416 Y470 L473 L474	A408-Y412 PolarHBondContact O-N 2.91Å; E409-Y412 WeakPolarHBondContact O-CB 3.27Å; E409-Y412 PolarHBondContact O-N 3.03Å; Y412-L414 PolarHBondContact O-N 3.15Å; Y412-Y415 PolarHBondContact O-N 2.97Å; Y412-K416 WeakPolarHBondContact O-CB 3.31Å; Y412-K416 PolarHBondContact O-N 3.16Å; Y412-K416 PolarHBondContact OH-NZ 2.6Å; Y412-Y470 HydrophobicContact CD1-CD1 4.06Å; Y412-Y470 HydrophobicContact CG-CD1 4.39Å; Y412-L473 HydrophobicContact CD2-CB 3.83Å; Y412-L473 HydrophobicContact CE2-CB 3.49Å; Y412-L473 VanDerWaalsContact CE2-CB 3.49Å; Y412-L473 WeakPolarHBondContact CE2-O 3.36Å; Y412-L474 HydrophobicContact CD2-CB 4.46Å
413	F	96.9	Very high	95.1	Very high	33 Å²	33	21.1 Å²	21.1	15%	0.145	12%	0.116	C	C	.	.	H	α-helix	trans	-63.9	-42.2	-179.9	-74.5	-63.2	0	0	0	112.5	V361 E409 Y415 K416 A417 F490	V361-F413 HydrophobicContact CB-CB 4.24Å; V361-F413 HydrophobicContact CG1-CB 4.07Å; E409-F413 HydrophobicContact CG-CD2 3.7Å; E409-F413 HydrophobicContact CG-CE2 3.52Å; E409-F413 WeakPolarHBondContact O-CD2 3.45Å; E409-F413 PolarHBondContact O-N 2.86Å; F413-Y415 PolarHBondContact O-N 2.88Å; F413-K416 PolarHBondContact O-N 3.45Å; F413-A417 WeakPolarHBondContact O-CB 3.47Å; F413-A417 PolarHBondContact O-N 2.93Å; F413-F490 HydrophobicContact CZ-CD2 4.15Å
414	L	95.9	Very high	95.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-41.7	175.5	-81.7	165.4	0	0	0	112.4	P357 V361 A369 I370 H373 S410 Y412 T418 Y423	P357-L414 HydrophobicContact CB-CD1 4.34Å; V361-L414 HydrophobicContact CG2-CD2 3.54Å; V361-L414 HydrophobicContact CG2-CG 3.84Å; A369-L414 HydrophobicContact CB-CD2 4Å; I370-L414 HydrophobicContact CG1-CD2 3.83Å; H373-L414 HydrophobicContact CB-CD1 3.41Å; H373-L414 VanDerWaalsContact CB-CD1 3.41Å; S410-L414 VanDerWaalsContact O-CB 3.27Å; S410-L414 WeakPolarHBondContact O-CB 3.22Å; S410-L414 WeakPolarHBondContact O-CG 3.43Å; S410-L414 PolarHBondContact O-N 2.74Å; Y412-L414 PolarHBondContact O-N 3.15Å; L414-T418 WeakPolarHBondContact O-CB 3.35Å; L414-T418 WeakPolarHBondContact O-CG2 3.37Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 VanDerWaalsContact O-N 3.11Å; L414-T418 PolarHBondContact O-OG1 3.39Å; L414-Y423 HydrophobicContact CB-CD1 4.14Å; L414-Y423 HydrophobicContact CB-CD2 4.24Å; L414-Y423 HydrophobicContact CB-CE1 3.85Å; L414-Y423 HydrophobicContact CB-CE2 3.94Å; L414-Y423 HydrophobicContact CB-CG 4.35Å; L414-Y423 HydrophobicContact CD1-CE1 4Å; L414-Y423 HydrophobicContact CG-CE1 4.47Å
415	Y	95.1	Very high	95	Very high	47 Å²	47	21.8 Å²	21.8	18%	0.184	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-48.4	172.2	177.5	-116.5	0	0	0	111.4	K50 T411 Y412 F413 A417 T418 G419 L424 L474	K50-Y415 PolarHBondContact NZ-OH 3.31Å; T411-Y415 WeakPolarHBondContact O-CB 3.21Å; T411-Y415 PolarHBondContact O-N 2.81Å; Y412-Y415 PolarHBondContact O-N 2.97Å; F413-Y415 PolarHBondContact O-N 2.88Å; Y415-A417 VanDerWaalsContact C-N 3.35Å; Y415-A417 PolarHBondContact O-N 3.47Å; Y415-T418 PolarHBondContact O-N 2.9Å; Y415-G419 WeakPolarHBondContact O-CA 3.44Å; Y415-G419 PolarHBondContact O-N 2.89Å; Y415-L424 HydrophobicContact CD1-CD2 4.28Å; Y415-L424 HydrophobicContact CD2-CD2 4.16Å; Y415-L424 HydrophobicContact CD2-CG 4.12Å; Y415-L424 HydrophobicContact CE1-CD2 3.97Å; Y415-L424 HydrophobicContact CE2-CD1 3.91Å; Y415-L424 HydrophobicContact CE2-CD2 3.86Å; Y415-L424 HydrophobicContact CE2-CG 3.76Å; Y415-L424 HydrophobicContact CG-CD2 4.37Å; Y415-L474 HydrophobicContact CD1-CD1 3.66Å; Y415-L474 HydrophobicContact CG-CD1 3.65Å
416	K	91.6	Very high	95	Very high	84 Å²	84	21.8 Å²	21.8	37%	0.365	12%	0.121	S	C	.	.	H	α-helix	trans	-62	-39.1	-176.5	-174.2	59.7	163.8	-62.4	0	113.1	Y412 F413 E486	Y412-K416 WeakPolarHBondContact O-CB 3.31Å; Y412-K416 PolarHBondContact O-N 3.16Å; Y412-K416 PolarHBondContact OH-NZ 2.6Å; F413-K416 PolarHBondContact O-N 3.45Å; K416-E486 VanDerWaalsContact NZ-CD 3.27Å; K416-E486 IonicContact NZ-OE1 2.72Å; K416-E486 PolarHBondContact NZ-OE1 3.49Å; K416-E486 IonicContact NZ-OE2 3.65Å; K416-E486 PolarHBondContact NZ-OE2 2.95Å
417	A	89.9	Confident	95	Very high	24 Å²	24	20.9 Å²	20.9	20%	0.198	12%	0.117	C	C	.	.	H	α-helix	trans	-81.3	-29.3	-179.7	0	0	0	0	0	114.3	V361 I366 F413 Y415	V361-A417 HydrophobicContact CG1-CB 3.47Å; V361-A417 VanDerWaalsContact CG1-CB 3.47Å; I366-A417 HydrophobicContact CD1-CB 4.14Å; F413-A417 WeakPolarHBondContact O-CB 3.47Å; F413-A417 PolarHBondContact O-N 2.93Å; Y415-A417 VanDerWaalsContact C-N 3.35Å; Y415-A417 PolarHBondContact O-N 3.47Å
418	T	88.6	Confident	94.9	Very high	35 Å²	35	22.1 Å²	22.1	22%	0.215	12%	0.122	C	C	.	.	H	α-helix	trans	-105.8	-26.7	-173.5	66.1	0	0	0	0	114.8	I366 L414 Y415 D420 Y423 F536	I366-T418 HydrophobicContact CG2-CG2 4.01Å; L414-T418 WeakPolarHBondContact O-CB 3.35Å; L414-T418 WeakPolarHBondContact O-CG2 3.37Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 VanDerWaalsContact O-N 3.11Å; L414-T418 PolarHBondContact O-OG1 3.39Å; Y415-T418 PolarHBondContact O-N 2.9Å; T418-D420 PolarHBondContact O-N 3.5Å; T418-D420 WeakPolarHBondContact OG1-CB 3.47Å; T418-D420 PolarHBondContact OG1-N 3.16Å; T418-Y423 WeakPolarHBondContact OG1-CE2 3.43Å; T418-F536 HydrophobicContact CG2-CE1 4.06Å; T418-F536 HydrophobicContact CG2-CZ 4.17Å
419	G	88.7	Confident	94.9	Very high	51 Å²	51	23.7 Å²	23.7	53%	0.526	13%	0.132	S	C	.	.			trans	66.7	7.1	-169.5	0	0	0	0	0	114.9	Y415 P421	Y415-G419 WeakPolarHBondContact O-CA 3.44Å; Y415-G419 PolarHBondContact O-N 2.89Å; G419-P421 WeakPolarHBondContact O-CD 3.24Å
420	D	90.1	Very high	94.9	Very high	17 Å²	17	23.9 Å²	23.9	9%	0.091	13%	0.133	C	C	.	.			trans	-68.7	116.4	-175.7	-178	-12.6	0	0	0	110.6	T418 Y422 Y423 A543 R547	T418-D420 PolarHBondContact O-N 3.5Å; T418-D420 WeakPolarHBondContact OG1-CB 3.47Å; T418-D420 PolarHBondContact OG1-N 3.16Å; D420-Y422 PolarHBondContact O-N 3.3Å; D420-Y422 WeakPolarHBondContact OD1-CB 3.16Å; D420-Y422 PolarHBondContact OD1-N 3.14Å; D420-Y423 HydrophobicContact CB-CD2 3.88Å; D420-Y423 HydrophobicContact CB-CE2 3.8Å; D420-Y423 WeakPolarHBondContact O-CD2 3.18Å; D420-Y423 PolarHBondContact O-N 3.23Å; D420-A543 HydrophobicContact CB-CB 4.42Å; D420-A543 VanDerWaalsContact OD2-CB 3.27Å; D420-A543 WeakPolarHBondContact OD2-CB 3.45Å; D420-R547 IonicContact OD1-NH2 2.68Å; D420-R547 PolarHBondContact OD1-NH2 2.89Å; D420-R547 IonicContact OD2-CZ 3.79Å; D420-R547 IonicContact OD2-NE 2.96Å; D420-R547 PolarHBondContact OD2-NE 3.33Å; D420-R547 IonicContact OD2-NH2 3.29Å; D420-R547 PolarHBondContact OD2-NH2 2.9Å
421	P	90.5	Very high	94.9	Very high	32 Å²	32	23.9 Å²	23.9	21%	0.208	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.8	-176.8	27.7	-35.6	0	0	0	113.5	G419 Y423 L424 E425	G419-P421 WeakPolarHBondContact O-CD 3.24Å; P421-Y423 PolarHBondContact O-N 2.98Å; P421-L424 HydrophobicContact CB-CD1 4.46Å; P421-L424 WeakPolarHBondContact O-CB 3.47Å; P421-L424 PolarHBondContact O-N 2.87Å; P421-L424 VanDerWaalsContact O-N 3.17Å; P421-E425 PolarHBondContact O-N 2.83Å
422	Y	92.5	Very high	94.9	Very high	31 Å²	31	29 Å²	29	12%	0.122	16%	0.156	C	C	.	.	H	α-helix	trans	-56	-37.2	171.8	-176.7	-110.1	0	0	0	113.4	E374 Y377 K381 D420 L424 E425 V426 R547	E374-Y422 VanDerWaalsContact CD-OH 3.27Å; E374-Y422 PolarHBondContact OE1-OH 2.88Å; E374-Y422 VanDerWaalsContact OE1-OH 3.1Å; E374-Y422 WeakPolarHBondContact OE2-CE1 3.49Å; E374-Y422 PolarHBondContact OE2-OH 3.13Å; Y377-Y422 AromaticContact CD1-CE1 3.92Å; Y377-Y422 HydrophobicContact CD1-CE1 3.92Å; Y377-Y422 AromaticContact CD1-CZ 3.79Å; Y377-Y422 VanDerWaalsContact CD1-OH 3.32Å; Y377-Y422 WeakPolarHBondContact CD1-OH 3.34Å; Y377-Y422 AromaticContact CE1-CE1 3.95Å; Y377-Y422 HydrophobicContact CE1-CE1 3.95Å; Y377-Y422 HydrophobicContact CE1-CE2 4.2Å; Y377-Y422 AromaticContact CE1-CZ 3.55Å; Y377-Y422 VanDerWaalsContact CE1-OH 3.31Å; Y377-Y422 WeakPolarHBondContact CE1-OH 3.22Å; K381-Y422 PolarHBondContact NZ-OH 3.15Å; D420-Y422 PolarHBondContact O-N 3.3Å; D420-Y422 WeakPolarHBondContact OD1-CB 3.16Å; D420-Y422 PolarHBondContact OD1-N 3.14Å; Y422-L424 PolarHBondContact O-N 2.88Å; Y422-E425 PolarHBondContact O-N 2.69Å; Y422-E425 VanDerWaalsContact O-N 3.13Å; Y422-V426 HydrophobicContact CD1-CG2 3.93Å; Y422-V426 HydrophobicContact CE1-CG2 3.87Å; Y422-V426 VanDerWaalsContact O-CG2 3.27Å; Y422-V426 WeakPolarHBondContact O-CG2 3.33Å; Y422-V426 PolarHBondContact O-N 2.79Å; Y422-R547 VanDerWaalsContact CG-CZ 3.42Å; Y422-R547 VanDerWaalsContact CZ-NH1 3.33Å
423	Y	96.3	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.4	-24.4	-179.7	-62.2	-63.6	0	0	0	112.8	H373 T411 L414 T418 D420 P421 V426 G427	H373-Y423 AromaticContact CE1-CD1 3.75Å; H373-Y423 AromaticContact CE1-CE1 3.7Å; H373-Y423 AromaticContact ND1-CE1 3.58Å; T411-Y423 HydrophobicContact CG2-CD1 4.38Å; T411-Y423 WeakPolarHBondContact CG2-O 3.45Å; L414-Y423 HydrophobicContact CB-CD1 4.14Å; L414-Y423 HydrophobicContact CB-CD2 4.24Å; L414-Y423 HydrophobicContact CB-CE1 3.85Å; L414-Y423 HydrophobicContact CB-CE2 3.94Å; L414-Y423 HydrophobicContact CB-CG 4.35Å; L414-Y423 HydrophobicContact CD1-CE1 4Å; L414-Y423 HydrophobicContact CG-CE1 4.47Å; T418-Y423 WeakPolarHBondContact OG1-CE2 3.43Å; D420-Y423 HydrophobicContact CB-CD2 3.88Å; D420-Y423 HydrophobicContact CB-CE2 3.8Å; D420-Y423 WeakPolarHBondContact O-CD2 3.18Å; D420-Y423 PolarHBondContact O-N 3.23Å; P421-Y423 PolarHBondContact O-N 2.98Å; Y423-V426 HydrophobicContact CD1-CG2 4.49Å; Y423-V426 WeakPolarHBondContact O-CB 3.47Å; Y423-V426 PolarHBondContact O-N 3.39Å; Y423-G427 PolarHBondContact O-N 3.45Å
424	L	96.6	Very high	94.9	Very high	4 Å²	4	28 Å²	28	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-68.9	-41.7	170.8	-57.5	174.9	0	0	0	111.2	M45 Y415 P421 Y422 V426 G427 K428 L474 F475	M45-L424 HydrophobicContact CB-CD1 3.91Å; M45-L424 HydrophobicContact CE-CB 3.69Å; M45-L424 HydrophobicContact SD-CB 3.91Å; M45-L424 HydrophobicContact SD-CD1 4.27Å; Y415-L424 HydrophobicContact CD1-CD2 4.28Å; Y415-L424 HydrophobicContact CD2-CD2 4.16Å; Y415-L424 HydrophobicContact CD2-CG 4.12Å; Y415-L424 HydrophobicContact CE1-CD2 3.97Å; Y415-L424 HydrophobicContact CE2-CD1 3.91Å; Y415-L424 HydrophobicContact CE2-CD2 3.86Å; Y415-L424 HydrophobicContact CE2-CG 3.76Å; Y415-L424 HydrophobicContact CG-CD2 4.37Å; P421-L424 HydrophobicContact CB-CD1 4.46Å; P421-L424 WeakPolarHBondContact O-CB 3.47Å; P421-L424 PolarHBondContact O-N 2.87Å; P421-L424 VanDerWaalsContact O-N 3.17Å; Y422-L424 PolarHBondContact O-N 2.88Å; L424-V426 VanDerWaalsContact C-N 3.31Å; L424-V426 PolarHBondContact O-N 3.21Å; L424-G427 PolarHBondContact O-N 2.85Å; L424-K428 VanDerWaalsContact O-CB 3.25Å; L424-K428 WeakPolarHBondContact O-CB 3.13Å; L424-K428 PolarHBondContact O-N 3.14Å; L424-L474 HydrophobicContact CD2-CD1 3.94Å; L424-L474 HydrophobicContact CD2-CG 4.15Å; L424-L474 WeakPolarHBondContact CD2-O 3.16Å; L424-F475 HydrophobicContact CB-CE1 3.98Å; L424-F475 HydrophobicContact CD2-CD1 3.98Å; L424-F475 HydrophobicContact CD2-CE1 3.89Å; L424-F475 WeakPolarHBondContact O-CZ 3.26Å
425	E	95.8	Very high	95.1	Very high	57 Å²	57	29.8 Å²	29.8	27%	0.266	16%	0.163	S	C	.	.	H	α-helix	trans	-69.1	-28.1	173.2	-65.4	-64.3	129.2	0	0	112.3	M45 P421 Y422 K428 T429	M45-E425 WeakPolarHBondContact CE-OE1 3.44Å; P421-E425 PolarHBondContact O-N 2.83Å; Y422-E425 PolarHBondContact O-N 2.69Å; Y422-E425 VanDerWaalsContact O-N 3.13Å; E425-K428 VanDerWaalsContact CD-NZ 3.31Å; E425-K428 IonicContact OE1-NZ 2.75Å; E425-K428 PolarHBondContact OE1-NZ 3.05Å; E425-K428 WeakPolarHBondContact OE2-CD 3.45Å; E425-K428 WeakPolarHBondContact OE2-CE 3.17Å; E425-K428 IonicContact OE2-NZ 3.2Å; E425-K428 PolarHBondContact OE2-NZ 3.33Å; E425-T429 PolarHBondContact O-N 3.38Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 3.05Å
426	V	97.5	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-53.8	168.8	-179.3	0	0	0	0	110.5	Y377 F407 T411 Y422 Y423 L424 K428 T429 L430	Y377-V426 HydrophobicContact CD1-CG1 4.44Å; Y377-V426 HydrophobicContact CD1-CG2 3.63Å; Y377-V426 HydrophobicContact CD2-CG1 4Å; Y377-V426 HydrophobicContact CE1-CB 4.19Å; Y377-V426 HydrophobicContact CE1-CG1 4.36Å; Y377-V426 HydrophobicContact CE1-CG2 3.23Å; Y377-V426 HydrophobicContact CE2-CB 4.41Å; Y377-V426 HydrophobicContact CE2-CG1 3.98Å; Y377-V426 HydrophobicContact CE2-CG2 4.28Å; Y377-V426 HydrophobicContact CG-CG1 4.25Å; Y377-V426 HydrophobicContact CG-CG2 4.27Å; F407-V426 HydrophobicContact CE1-CG1 3.56Å; F407-V426 HydrophobicContact CZ-CG1 3.7Å; T411-V426 HydrophobicContact CG2-CB 4.06Å; T411-V426 HydrophobicContact CG2-CG1 4Å; Y422-V426 HydrophobicContact CD1-CG2 3.93Å; Y422-V426 HydrophobicContact CE1-CG2 3.87Å; Y422-V426 VanDerWaalsContact O-CG2 3.27Å; Y422-V426 WeakPolarHBondContact O-CG2 3.33Å; Y422-V426 PolarHBondContact O-N 2.79Å; Y423-V426 HydrophobicContact CD1-CG2 4.49Å; Y423-V426 WeakPolarHBondContact O-CB 3.47Å; Y423-V426 PolarHBondContact O-N 3.39Å; L424-V426 VanDerWaalsContact C-N 3.31Å; L424-V426 PolarHBondContact O-N 3.21Å; V426-K428 VanDerWaalsContact C-N 3.28Å; V426-K428 PolarHBondContact O-N 2.63Å; V426-T429 WeakPolarHBondContact O-CA 3.46Å; V426-T429 VanDerWaalsContact O-CB 3.3Å; V426-T429 WeakPolarHBondContact O-CB 3.32Å; V426-T429 PolarHBondContact O-N 3.4Å; V426-L430 PolarHBondContact O-N 3.46Å
427	G	97.9	Very high	95.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-37.2	178.7	0	0	0	0	0	113.4	Y423 L424 T429 L430 I431	Y423-G427 PolarHBondContact O-N 3.45Å; L424-G427 PolarHBondContact O-N 2.85Å; G427-T429 VanDerWaalsContact C-N 3.35Å; G427-T429 PolarHBondContact O-N 2.93Å; G427-L430 WeakPolarHBondContact O-CB 3.39Å; G427-L430 PolarHBondContact O-N 3.09Å; G427-L430 VanDerWaalsContact O-N 3.15Å; G427-I431 WeakPolarHBondContact O-CG1 3.22Å; G427-I431 PolarHBondContact O-N 2.92Å
428	K	97.8	Very high	95.9	Very high	32 Å²	32	32.1 Å²	32.1	14%	0.139	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-42.1	172.4	175.4	175.7	166.3	-176.7	0	111.8	M45 E49 L53 L424 E425 V426 L430 I431 E432	M45-K428 HydrophobicContact CE-CD 3.88Å; E49-K428 WeakPolarHBondContact OE1-CE 3.49Å; E49-K428 IonicContact OE1-NZ 3.6Å; E49-K428 PolarHBondContact OE1-NZ 3.39Å; L53-K428 HydrophobicContact CD1-CB 3.99Å; L53-K428 HydrophobicContact CD1-CD 4.07Å; L53-K428 HydrophobicContact CD1-CG 4.13Å; L53-K428 HydrophobicContact CD2-CB 4.46Å; L53-K428 HydrophobicContact CD2-CG 4.17Å; L424-K428 VanDerWaalsContact O-CB 3.25Å; L424-K428 WeakPolarHBondContact O-CB 3.13Å; L424-K428 PolarHBondContact O-N 3.14Å; E425-K428 VanDerWaalsContact CD-NZ 3.31Å; E425-K428 IonicContact OE1-NZ 2.75Å; E425-K428 PolarHBondContact OE1-NZ 3.05Å; E425-K428 WeakPolarHBondContact OE2-CD 3.45Å; E425-K428 WeakPolarHBondContact OE2-CE 3.17Å; E425-K428 IonicContact OE2-NZ 3.2Å; E425-K428 PolarHBondContact OE2-NZ 3.33Å; V426-K428 VanDerWaalsContact C-N 3.28Å; V426-K428 PolarHBondContact O-N 2.63Å; K428-L430 VanDerWaalsContact C-N 3.31Å; K428-L430 PolarHBondContact O-N 3.46Å; K428-I431 PolarHBondContact O-N 3.13Å; K428-E432 WeakPolarHBondContact O-CB 3.26Å; K428-E432 WeakPolarHBondContact O-CG 3.47Å; K428-E432 PolarHBondContact O-N 3.15Å
429	T	97.9	Very high	96.3	Very high	34 Å²	34	33.6 Å²	33.6	21%	0.209	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-37.1	173.4	-54.4	0	0	0	0	111.8	Y377 E425 V426 G427 N433	Y377-T429 HydrophobicContact CE2-CG2 4.24Å; Y377-T429 PolarHBondContact OH-OG1 3.36Å; Y377-T429 VanDerWaalsContact OH-OG1 3.14Å; E425-T429 PolarHBondContact O-N 3.38Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 3.05Å; V426-T429 WeakPolarHBondContact O-CA 3.46Å; V426-T429 VanDerWaalsContact O-CB 3.3Å; V426-T429 WeakPolarHBondContact O-CB 3.32Å; V426-T429 PolarHBondContact O-N 3.4Å; G427-T429 VanDerWaalsContact C-N 3.35Å; G427-T429 PolarHBondContact O-N 2.93Å; T429-N433 WeakPolarHBondContact O-CB 3.35Å; T429-N433 VanDerWaalsContact O-CG 3.28Å; T429-N433 PolarHBondContact O-N 3.28Å
430	L	98.2	Very high	96.8	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-46.7	174.4	-59.4	175.8	0	0	0	111.8	I380 F407 A408 V426 G427 K428 E432 N433 L434 L471	I380-L430 HydrophobicContact CG2-CD2 4.44Å; F407-L430 HydrophobicContact CD1-CD1 3.82Å; F407-L430 HydrophobicContact CD1-CD2 3.88Å; F407-L430 HydrophobicContact CD1-CG 4.4Å; F407-L430 HydrophobicContact CE1-CD1 3.99Å; F407-L430 HydrophobicContact CE1-CD2 3.95Å; F407-L430 HydrophobicContact CE1-CG 4.33Å; A408-L430 HydrophobicContact CB-CD1 4.21Å; V426-L430 PolarHBondContact O-N 3.46Å; G427-L430 WeakPolarHBondContact O-CB 3.39Å; G427-L430 PolarHBondContact O-N 3.09Å; G427-L430 VanDerWaalsContact O-N 3.15Å; K428-L430 VanDerWaalsContact C-N 3.31Å; K428-L430 PolarHBondContact O-N 3.46Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 3.27Å; L430-N433 PolarHBondContact O-N 3.39Å; L430-L434 WeakPolarHBondContact O-CB 3.38Å; L430-L434 WeakPolarHBondContact O-CG 3.36Å; L430-L434 PolarHBondContact O-N 2.79Å; L430-L471 HydrophobicContact CB-CD2 4.27Å; L430-L471 HydrophobicContact CD1-CD2 4.2Å
431	I	98.4	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58	-43.5	175.6	-72.2	167.5	0	0	0	111.4	L53 Q56 V57 M60 G427 K428 N435 L471 F475	L53-I431 HydrophobicContact CB-CD1 4.32Å; L53-I431 HydrophobicContact CD2-CD1 4.29Å; Q56-I431 HydrophobicContact CG-CG2 3.92Å; Q56-I431 VanDerWaalsContact NE2-CG2 3.35Å; V57-I431 HydrophobicContact CG2-CD1 3.49Å; V57-I431 VanDerWaalsContact CG2-CD1 3.49Å; V57-I431 HydrophobicContact CG2-CG1 4.02Å; M60-I431 HydrophobicContact SD-CG2 3.96Å; G427-I431 WeakPolarHBondContact O-CG1 3.22Å; G427-I431 PolarHBondContact O-N 2.92Å; K428-I431 PolarHBondContact O-N 3.13Å; I431-N435 WeakPolarHBondContact O-CB 3.49Å; I431-N435 PolarHBondContact O-N 3.28Å; I431-N435 VanDerWaalsContact O-N 3.12Å; I431-N435 PolarHBondContact O-ND2 3.13Å; I431-L471 HydrophobicContact CG1-CD1 4.3Å; I431-L471 HydrophobicContact CG1-CD2 4.43Å; I431-F475 HydrophobicContact CD1-CD2 3.93Å; I431-F475 HydrophobicContact CD1-CE2 3.43Å; I431-F475 VanDerWaalsContact CD1-CE2 3.43Å; I431-F475 HydrophobicContact CD1-CZ 4.23Å
432	E	98.2	Very high	97.5	Very high	106 Å²	106	35.5 Å²	35.5	50%	0.495	17%	0.174	S	C	.	.	H	α-helix	trans	-65.7	-46.1	176.9	-74.5	179.8	-168.5	0	0	111.6	K428 L430 N435 K436	K428-E432 WeakPolarHBondContact O-CB 3.26Å; K428-E432 WeakPolarHBondContact O-CG 3.47Å; K428-E432 PolarHBondContact O-N 3.15Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 3.27Å; E432-N435 PolarHBondContact O-N 2.69Å; E432-K436 WeakPolarHBondContact O-CB 3.47Å; E432-K436 PolarHBondContact O-N 3.15Å
433	N	98.1	Very high	97.8	Very high	18 Å²	18	34 Å²	34	10%	0.096	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-41.1	179.9	-73.4	-11.2	0	0	0	112.6	N384 F385 T429 L430 K436 Y437	N384-N433 PolarHBondContact O-ND2 3.16Å; F385-N433 HydrophobicContact CE1-CB 4.32Å; F385-N433 HydrophobicContact CZ-CB 4.4Å; T429-N433 WeakPolarHBondContact O-CB 3.35Å; T429-N433 VanDerWaalsContact O-CG 3.28Å; T429-N433 PolarHBondContact O-N 3.28Å; L430-N433 PolarHBondContact O-N 3.39Å; N433-K436 PolarHBondContact O-N 2.92Å; N433-Y437 HydrophobicContact CB-CD2 4.04Å; N433-Y437 HydrophobicContact CB-CE2 4.36Å; N433-Y437 WeakPolarHBondContact O-CB 3.34Å; N433-Y437 WeakPolarHBondContact O-CD2 3.38Å; N433-Y437 PolarHBondContact O-N 3.31Å
434	L	98.5	Very high	97.9	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.168	C	C	.	.	I	π-helix	trans	-59.6	-50.4	174.2	-75.3	168.7	0	0	0	111.2	M60 F385 L403 L430 K436 A438 R439 F444 F463 M467 L471	M60-L434 HydrophobicContact CE-CB 3.54Å; M60-L434 HydrophobicContact CE-CD1 4.02Å; M60-L434 HydrophobicContact CE-CG 4.44Å; F385-L434 HydrophobicContact CE1-CD2 4.02Å; F385-L434 HydrophobicContact CE1-CG 4.41Å; L403-L434 HydrophobicContact CD2-CD2 4.25Å; L430-L434 WeakPolarHBondContact O-CB 3.38Å; L430-L434 WeakPolarHBondContact O-CG 3.36Å; L430-L434 PolarHBondContact O-N 2.79Å; L434-K436 VanDerWaalsContact C-N 3.32Å; L434-K436 PolarHBondContact O-N 3.44Å; L434-A438 HydrophobicContact CD2-CB 4.27Å; L434-A438 PolarHBondContact O-N 3.18Å; L434-R439 PolarHBondContact O-N 2.97Å; L434-F444 HydrophobicContact CB-CD1 4.49Å; L434-F444 HydrophobicContact CB-CE1 4.16Å; L434-F463 HydrophobicContact CD1-CE2 4.36Å; L434-F463 HydrophobicContact CD2-CE2 3.9Å; L434-F463 HydrophobicContact CD2-CZ 4.14Å; L434-M467 HydrophobicContact CD1-CE 4.48Å; L434-M467 HydrophobicContact CD1-SD 4.25Å; L434-L471 HydrophobicContact CD1-CD1 3.97Å
435	N	98.4	Very high	98	Very high	37 Å²	37	33.8 Å²	33.8	20%	0.198	17%	0.167	C	C	.	.	I	π-helix	trans	-64.6	-33.7	178	-82	-68.4	0	0	0	113.5	Q56 M60 I431 E432 R439	Q56-N435 PolarHBondContact NE2-ND2 3.41Å; Q56-N435 VanDerWaalsContact NE2-ND2 3.14Å; M60-N435 WeakPolarHBondContact CE-ND2 3.27Å; M60-N435 PolarHBondContact SD-ND2 3.07Å; I431-N435 WeakPolarHBondContact O-CB 3.49Å; I431-N435 PolarHBondContact O-N 3.28Å; I431-N435 VanDerWaalsContact O-N 3.12Å; I431-N435 PolarHBondContact O-ND2 3.13Å; E432-N435 PolarHBondContact O-N 2.69Å; N435-R439 WeakPolarHBondContact O-CB 3.19Å; N435-R439 WeakPolarHBondContact OD1-CD 3.24Å; N435-R439 PolarHBondContact OD1-NH1 2.89Å
436	K	97.8	Very high	98	Very high	142 Å²	142	31.2 Å²	31.2	62%	0.617	16%	0.155	S	C	*	.	I	π-helix	trans	-83.2	-33.8	-174.6	-176.8	-177.1	175	-162.9	0	113.7	E432 N433 L434	E432-K436 WeakPolarHBondContact O-CB 3.47Å; E432-K436 PolarHBondContact O-N 3.15Å; N433-K436 PolarHBondContact O-N 2.92Å; L434-K436 VanDerWaalsContact C-N 3.32Å; L434-K436 PolarHBondContact O-N 3.44Å
437	Y	97.6	Very high	98	Very high	62 Å²	62	31.3 Å²	31.3	24%	0.243	16%	0.156	C	C	.	.	I	π-helix	trans	-121.1	-33.1	-168.9	-57.8	-62.3	0	0	0	114.4	N384 F385 N433 H455	N384-Y437 HydrophobicContact CB-CD2 3.86Å; N384-Y437 HydrophobicContact CB-CE2 3.49Å; N384-Y437 VanDerWaalsContact CB-CE2 3.49Å; N384-Y437 VanDerWaalsContact CG-CE2 3.44Å; N384-Y437 WeakPolarHBondContact OD1-CE2 3.48Å; N384-Y437 PolarHBondContact OD1-OH 3.34Å; F385-Y437 HydrophobicContact CE2-CD2 4.21Å; F385-Y437 HydrophobicContact CE2-CG 4.32Å; N433-Y437 HydrophobicContact CB-CD2 4.04Å; N433-Y437 HydrophobicContact CB-CE2 4.36Å; N433-Y437 WeakPolarHBondContact O-CB 3.34Å; N433-Y437 WeakPolarHBondContact O-CD2 3.38Å; N433-Y437 PolarHBondContact O-N 3.31Å; Y437-H455 PolarHBondContact O-NE2 3.07Å
438	A	98.1	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-100.2	-25	-177.1	0	0	0	0	0	113.6	F385 L403 L434 V440 F444 A445 M447	F385-A438 HydrophobicContact CZ-CB 4.07Å; L403-A438 HydrophobicContact CD2-CB 3.73Å; L434-A438 HydrophobicContact CD2-CB 4.27Å; L434-A438 PolarHBondContact O-N 3.18Å; A438-V440 PolarHBondContact O-N 3.48Å; A438-F444 HydrophobicContact CB-CD1 4.17Å; A438-F444 CarbonylContact O-C 3.55Å; A438-F444 WeakPolarHBondContact O-CA 3.38Å; A438-A445 PolarHBondContact O-N 2.99Å; A438-M447 HydrophobicContact CB-SD 4.27Å
439	R	98.5	Very high	97.6	Very high	66 Å²	66	36.7 Å²	36.7	25%	0.249	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131	-178.3	-165.4	170.6	-178.6	168	-2.9	112.1	E59 H63 L434 N435 F444	E59-R439 IonicContact OE1-CZ 3.1Å; E59-R439 IonicContact OE1-NH1 3.93Å; E59-R439 PolarHBondContact OE1-NH1 3.01Å; E59-R439 IonicContact OE1-NH2 3.14Å; E59-R439 PolarHBondContact OE1-NH2 3.34Å; E59-R439 IonicContact OE2-CZ 2.68Å; E59-R439 IonicContact OE2-NH1 2.65Å; E59-R439 PolarHBondContact OE2-NH1 3.21Å; E59-R439 IonicContact OE2-NH2 3.75Å; H63-R439 PolarHBondContact ND1-NH2 3.4Å; L434-R439 PolarHBondContact O-N 2.97Å; N435-R439 WeakPolarHBondContact O-CB 3.19Å; N435-R439 WeakPolarHBondContact OD1-CD 3.24Å; N435-R439 PolarHBondContact OD1-NH1 2.89Å; R439-F444 HydrophobicContact CB-CD1 3.84Å; R439-F444 HydrophobicContact CB-CE1 3.54Å; R439-F444 HydrophobicContact CB-CZ 4.05Å; R439-F444 HydrophobicContact CG-CD1 4.3Å; R439-F444 HydrophobicContact CG-CE1 3.84Å; R439-F444 HydrophobicContact CG-CE2 4.25Å; R439-F444 HydrophobicContact CG-CZ 3.8Å
440	V	98.3	Very high	97.4	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.097	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	168.5	180	-64.8	0	0	0	0	109.5	H63 P80 L81 A438 C442 G443 A445	H63-V440 PolarHBondContact CE1-O 3.35Å; H63-V440 VanDerWaalsContact CE1-O 3.32Å; H63-V440 PolarHBondContact NE2-O 3.04Å; P80-V440 HydrophobicContact CB-CG2 3.71Å; P80-V440 HydrophobicContact CG-CG2 4.18Å; P80-V440 WeakPolarHBondContact O-CG2 3.47Å; L81-V440 HydrophobicContact CD2-CB 4.2Å; L81-V440 HydrophobicContact CD2-CG1 3.75Å; L81-V440 HydrophobicContact CD2-CG2 4.24Å; A438-V440 PolarHBondContact O-N 3.48Å; V440-C442 VanDerWaalsContact C-N 3.27Å; V440-C442 PolarHBondContact O-N 3.27Å; V440-G443 WeakPolarHBondContact CG2-O 3.47Å; V440-G443 PolarHBondContact N-O 3.15Å; V440-G443 PolarHBondContact O-N 3.24Å; V440-A445 HydrophobicContact CG1-CB 3.97Å; V440-A445 HydrophobicContact CG2-CB 4.02Å
441	P	98.1	Very high	97	Very high	112 Å²	112	42.5 Å²	42.5	73%	0.727	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-40.3	-172.9	-28.9	37.1	0	0	0	113.9	H63	H63-P441 PolarHBondContact CE1-O 2.77Å
442	C	97.5	Very high	96.8	Very high	12 Å²	12	47 Å²	47	8%	0.081	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	35.4	-175.6	-58.5	0	0	0	0	113.3	N67 L78 P80 C83 V440	N67-C442 WeakPolarHBondContact OD1-CA 3.46Å; L78-C442 VanDerWaalsContact CD2-O 3.24Å; L78-C442 WeakPolarHBondContact CD2-O 3.44Å; P80-C442 WeakPolarHBondContact CA-O 3.3Å; P80-C442 VanDerWaalsContact CB-O 3.26Å; P80-C442 WeakPolarHBondContact CB-O 3.5Å; P80-C442 WeakPolarHBondContact O-CB 3.45Å; C83-C442 HydrophobicContact CB-CB 3.74Å; C83-C442 WeakPolarHBondContact CB-SG 3.31Å; C83-C442 WeakPolarHBondContact SG-CB 3.4Å; C83-C442 CovalentContact SG-SG 2.03Å; C83-C442 PolarHBondContact SG-SG 3.48Å; V440-C442 VanDerWaalsContact C-N 3.27Å; V440-C442 PolarHBondContact O-N 3.27Å
443	G	97.9	Very high	96.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.7	-140.3	175.4	0	0	0	0	0	113.9	H63 V440	H63-G443 PolarHBondContact NE2-N 3.15Å; H63-G443 PolarHBondContact NE2-O 2.96Å; V440-G443 WeakPolarHBondContact CG2-O 3.47Å; V440-G443 PolarHBondContact N-O 3.15Å; V440-G443 PolarHBondContact O-N 3.24Å
444	F	98.6	Very high	96.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.3	172.6	-71	-104.1	0	0	0	109.2	M60 H63 A64 P80 L403 L434 A438 R439 M459 F463 F468	M60-F444 HydrophobicContact CB-CE2 4.17Å; M60-F444 HydrophobicContact CB-CZ 3.86Å; M60-F444 HydrophobicContact CE-CE1 3.74Å; M60-F444 HydrophobicContact CE-CZ 3.71Å; M60-F444 HydrophobicContact CG-CZ 3.95Å; H63-F444 AromaticContact CD2-CE2 3.68Å; A64-F444 HydrophobicContact CB-CD2 3.91Å; A64-F444 HydrophobicContact CB-CE2 4.2Å; P80-F444 WeakPolarHBondContact CG-O 3.22Å; L403-F444 HydrophobicContact CD1-CB 3.85Å; L434-F444 HydrophobicContact CB-CD1 4.49Å; L434-F444 HydrophobicContact CB-CE1 4.16Å; A438-F444 HydrophobicContact CB-CD1 4.17Å; A438-F444 CarbonylContact O-C 3.55Å; A438-F444 WeakPolarHBondContact O-CA 3.38Å; R439-F444 HydrophobicContact CB-CD1 3.84Å; R439-F444 HydrophobicContact CB-CE1 3.54Å; R439-F444 HydrophobicContact CB-CZ 4.05Å; R439-F444 HydrophobicContact CG-CD1 4.3Å; R439-F444 HydrophobicContact CG-CE1 3.84Å; R439-F444 HydrophobicContact CG-CE2 4.25Å; R439-F444 HydrophobicContact CG-CZ 3.8Å; F444-M459 HydrophobicContact CB-SD 4.37Å; F444-M459 WeakPolarHBondContact O-CB 3.46Å; F444-M459 VanDerWaalsContact O-CG 3.26Å; F444-M459 WeakPolarHBondContact O-CG 3.28Å; F444-F463 HydrophobicContact CB-CD1 4.29Å; F444-F463 HydrophobicContact CB-CE1 3.53Å; F444-F463 HydrophobicContact CB-CZ 3.94Å; F444-F463 HydrophobicContact CD1-CE1 4.31Å; F444-F463 HydrophobicContact CD1-CZ 4.07Å; F444-F463 AromaticContact CD2-CE1 3.67Å; F444-F463 HydrophobicContact CD2-CE1 3.67Å; F444-F463 HydrophobicContact CD2-CZ 4.2Å; F444-F463 HydrophobicContact CE2-CE1 4.46Å; F444-F463 AromaticContact CG-CE1 3.59Å; F444-F463 HydrophobicContact CG-CE1 3.59Å; F444-F463 AromaticContact CG-CZ 3.82Å; F444-F463 HydrophobicContact CG-CZ 3.82Å; F444-F468 HydrophobicContact CD2-CZ 4.32Å; F444-F468 HydrophobicContact CE2-CZ 4.01Å; F444-F468 HydrophobicContact CZ-CZ 4.41Å
445	A	98.1	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-96.4	135.3	-178.6	0	0	0	0	0	111.2	P80 L81 A438 V440 H455	P80-A445 HydrophobicContact CG-CB 3.87Å; L81-A445 HydrophobicContact CD2-CB 3.73Å; L81-A445 HydrophobicContact CG-CB 4.17Å; A438-A445 PolarHBondContact O-N 2.99Å; V440-A445 HydrophobicContact CG1-CB 3.97Å; V440-A445 HydrophobicContact CG2-CB 4.02Å; A445-H455 HydrophobicContact CB-CB 3.98Å
446	A	97.1	Very high	95.9	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-52	145.6	167.8	0	0	0	0	0	111.6	P402 H455 E456 R458	P402-A446 HydrophobicContact CB-CB 4.39Å; A446-H455 CarbonylContact O-C 3.46Å; A446-H455 WeakPolarHBondContact O-CA 3.29Å; A446-E456 HydrophobicContact CB-CB 4.21Å; A446-E456 PolarHBondContact O-N 2.9Å; A446-R458 HydrophobicContact CB-CB 4.12Å; A446-R458 HydrophobicContact CB-CG 4.21Å; A446-R458 PolarHBondContact N-O 2.75Å
447	M	96.6	Very high	95.9	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.4	174.2	-51.7	-54.5	-57	0	0	109.1	F385 Q400 H401 A438 V450 G453	F385-M447 HydrophobicContact CD2-CG 3.76Å; F385-M447 HydrophobicContact CE2-CG 3.67Å; F385-M447 HydrophobicContact CE2-SD 3.89Å; F385-M447 HydrophobicContact CZ-CG 4.42Å; Q400-M447 CarbonylContact C-O 3.57Å; Q400-M447 VanDerWaalsContact CA-O 3.29Å; Q400-M447 WeakPolarHBondContact CA-O 3.12Å; H401-M447 HydrophobicContact CB-CB 4.16Å; H401-M447 HydrophobicContact CB-CG 4.46Å; H401-M447 PolarHBondContact N-O 3.13Å; H401-M447 PolarHBondContact O-N 3.13Å; A438-M447 HydrophobicContact CB-SD 4.27Å; M447-V450 HydrophobicContact CB-CG1 4.02Å; M447-V450 HydrophobicContact CG-CG1 4.44Å; M447-G453 WeakPolarHBondContact CE-O 3.27Å
448	K	94.3	Very high	95.8	Very high	122 Å²	122	41.9 Å²	41.9	53%	0.53	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-37.2	172.3	-174.6	175	-179.1	176.6	0	111.6	Q400 S454 E456	Q400-K448 WeakPolarHBondContact CG-O 3.33Å; K448-S454 PolarHBondContact N-O 3.44Å; K448-E456 HydrophobicContact CB-CB 4.19Å
449	D	93.7	Very high	95.7	Very high	23 Å²	23	42 Å²	42	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	105.8	175.3	-175.3	-29.7	0	0	0	111.4	A399 R451 T452 G453 S454	A399-D449 HydrophobicContact CB-CB 3.98Å; A399-D449 VanDerWaalsContact CB-CG 3.44Å; A399-D449 WeakPolarHBondContact CB-OD1 3.39Å; A399-D449 CarbonylContact O-C 3.53Å; A399-D449 VanDerWaalsContact O-CA 3.26Å; A399-D449 WeakPolarHBondContact O-CA 3.26Å; D449-R451 PolarHBondContact O-N 3.15Å; D449-R451 VanDerWaalsContact O-N 3.1Å; D449-R451 WeakPolarHBondContact OD1-CA 3.28Å; D449-R451 WeakPolarHBondContact OD1-CB 3.31Å; D449-R451 VanDerWaalsContact OD1-CG 3.3Å; D449-R451 WeakPolarHBondContact OD1-CG 3.37Å; D449-R451 IonicContact OD1-CZ 2.77Å; D449-R451 PolarHBondContact OD1-N 3.38Å; D449-R451 IonicContact OD1-NE 3.63Å; D449-R451 PolarHBondContact OD1-NE 3.33Å; D449-R451 IonicContact OD1-NH2 3.54Å; D449-R451 IonicContact OD2-CZ 3.25Å; D449-R451 VanDerWaalsContact OD2-CZ 3.31Å; D449-R451 IonicContact OD2-NE 3.48Å; D449-R451 PolarHBondContact OD2-NE 3.03Å; D449-R451 VanDerWaalsContact OD2-NE 3.14Å; D449-R451 IonicContact OD2-NH2 2.72Å; D449-R451 PolarHBondContact OD2-NH2 3.28Å; D449-T452 HydrophobicContact CB-CG2 4.37Å; D449-T452 WeakPolarHBondContact CB-OG1 3.48Å; D449-T452 PolarHBondContact O-N 3.48Å; D449-T452 PolarHBondContact O-OG1 3.16Å; D449-T452 PolarHBondContact OD1-N 3Å; D449-G453 PolarHBondContact O-N 3.08Å; D449-S454 PolarHBondContact N-O 3.2Å
450	V	93.4	Very high	95.7	Very high	9 Å²	9	39 Å²	39	6%	0.055	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.4	-179.8	-60.8	0	0	0	0	114.4	H383 F385 P387 V396 A399 H401 M447	H383-V450 HydrophobicContact CB-CG2 4.22Å; F385-V450 HydrophobicContact CB-CG1 3.93Å; F385-V450 HydrophobicContact CD2-CG1 4.3Å; P387-V450 HydrophobicContact CB-CG2 4.11Å; V396-V450 HydrophobicContact CG2-CG2 4.14Å; A399-V450 WeakPolarHBondContact O-CG1 3.33Å; A399-V450 PolarHBondContact O-N 2.63Å; H401-V450 HydrophobicContact CB-CG1 3.72Å; M447-V450 HydrophobicContact CB-CG1 4.02Å; M447-V450 HydrophobicContact CG-CG1 4.44Å
451	R	90.4	Very high	95.6	Very high	159 Å²	159	38.2 Å²	38.2	60%	0.6	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-29.7	177.9	-47.5	168.1	-70.7	-167	3.8	111.7	V396 D449	V396-R451 HydrophobicContact CB-CG 4.34Å; V396-R451 HydrophobicContact CG1-CG 4.43Å; V396-R451 HydrophobicContact CG2-CG 3.88Å; D449-R451 PolarHBondContact O-N 3.15Å; D449-R451 VanDerWaalsContact O-N 3.1Å; D449-R451 WeakPolarHBondContact OD1-CA 3.28Å; D449-R451 WeakPolarHBondContact OD1-CB 3.31Å; D449-R451 VanDerWaalsContact OD1-CG 3.3Å; D449-R451 WeakPolarHBondContact OD1-CG 3.37Å; D449-R451 IonicContact OD1-CZ 2.77Å; D449-R451 PolarHBondContact OD1-N 3.38Å; D449-R451 IonicContact OD1-NE 3.63Å; D449-R451 PolarHBondContact OD1-NE 3.33Å; D449-R451 IonicContact OD1-NH2 3.54Å; D449-R451 IonicContact OD2-CZ 3.25Å; D449-R451 VanDerWaalsContact OD2-CZ 3.31Å; D449-R451 IonicContact OD2-NE 3.48Å; D449-R451 PolarHBondContact OD2-NE 3.03Å; D449-R451 VanDerWaalsContact OD2-NE 3.14Å; D449-R451 IonicContact OD2-NH2 2.72Å; D449-R451 PolarHBondContact OD2-NH2 3.28Å
452	T	92.9	Very high	95.6	Very high	96 Å²	96	33.1 Å²	33.1	59%	0.589	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-24.2	-179.1	65.7	0	0	0	0	112.8	D449 S454	D449-T452 HydrophobicContact CB-CG2 4.37Å; D449-T452 WeakPolarHBondContact CB-OG1 3.48Å; D449-T452 PolarHBondContact O-N 3.48Å; D449-T452 PolarHBondContact O-OG1 3.16Å; D449-T452 PolarHBondContact OD1-N 3Å; T452-S454 VanDerWaalsContact C-N 3.32Å; T452-S454 WeakPolarHBondContact OG1-CB 3.4Å; T452-S454 PolarHBondContact OG1-N 3.05Å; T452-S454 VanDerWaalsContact OG1-N 3.15Å; T452-S454 PolarHBondContact OG1-OG 2.7Å
453	G	90.8	Very high	95.7	Very high	35 Å²	35	32.6 Å²	32.6	36%	0.361	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	14.3	-169.9	0	0	0	0	0	114	M447 D449	M447-G453 WeakPolarHBondContact CE-O 3.27Å; D449-G453 PolarHBondContact O-N 3.08Å
454	S	94.3	Very high	95.7	Very high	48 Å²	48	32.6 Å²	32.6	34%	0.336	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142.8	177.3	57.3	0	0	0	0	112.4	K448 D449 T452	K448-S454 PolarHBondContact N-O 3.44Å; D449-S454 PolarHBondContact N-O 3.2Å; T452-S454 VanDerWaalsContact C-N 3.32Å; T452-S454 WeakPolarHBondContact OG1-CB 3.4Å; T452-S454 PolarHBondContact OG1-N 3.05Å; T452-S454 VanDerWaalsContact OG1-N 3.15Å; T452-S454 PolarHBondContact OG1-OG 2.7Å
455	H	96.9	Very high	95.7	Very high	65 Å²	65	32.6 Å²	32.6	30%	0.301	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	159.1	-178.6	-60.2	113.4	0	0	0	113.8	L81 Y437 A445 A446	L81-H455 HydrophobicContact CD1-CB 3.77Å; L81-H455 HydrophobicContact CD2-CB 4.12Å; Y437-H455 PolarHBondContact O-NE2 3.07Å; A445-H455 HydrophobicContact CB-CB 3.98Å; A446-H455 CarbonylContact O-C 3.46Å; A446-H455 WeakPolarHBondContact O-CA 3.29Å
456	E	93.9	Very high	95.7	Very high	46 Å²	46	33.2 Å²	33.2	22%	0.215	17%	0.169	C	C	.	.			trans	-112.8	143.9	162.2	-173.1	173.3	130.1	0	0	108.4	A446 K448 R458	A446-E456 HydrophobicContact CB-CB 4.21Å; A446-E456 PolarHBondContact O-N 2.9Å; K448-E456 HydrophobicContact CB-CB 4.19Å; E456-R458 HydrophobicContact CG-CB 4.13Å; E456-R458 PolarHBondContact O-N 3.02Å; E456-R458 WeakPolarHBondContact OE1-CD 3.44Å; E456-R458 IonicContact OE1-NH1 2.7Å
457	D	96.4	Very high	95.8	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.193	17%	0.17	C	C	.	.	S	Bend	trans	-81.2	65.6	-175.5	-163	10.3	0	0	0	111.9	M79 P80 L81 T82	M79-D457 WeakPolarHBondContact CA-OD1 3.48Å; M79-D457 WeakPolarHBondContact CB-OD1 3.5Å; M79-D457 HydrophobicContact CE-CB 4Å; M79-D457 WeakPolarHBondContact CE-O 3.4Å; P80-D457 WeakPolarHBondContact CD-OD1 3.48Å; P80-D457 VanDerWaalsContact N-OD1 3.12Å; L81-D457 WeakPolarHBondContact CA-OD1 3.41Å; L81-D457 HydrophobicContact CB-CB 4.19Å; L81-D457 VanDerWaalsContact CB-OD1 3.28Å; L81-D457 WeakPolarHBondContact CB-OD1 3.37Å; L81-D457 HydrophobicContact CD1-CB 3.93Å; L81-D457 HydrophobicContact CG-CB 4.18Å; L81-D457 PolarHBondContact N-OD1 3.17Å; T82-D457 VanDerWaalsContact CB-OD2 3.31Å; T82-D457 WeakPolarHBondContact CB-OD2 3.05Å; T82-D457 WeakPolarHBondContact CG2-OD2 3.47Å; T82-D457 PolarHBondContact N-OD1 2.91Å; T82-D457 PolarHBondContact N-OD2 3.43Å; T82-D457 PolarHBondContact OG1-OD2 3.41Å
458	R	95.1	Very high	95.8	Very high	30 Å²	30	33.3 Å²	33.3	11%	0.113	17%	0.17	C	C	.	.			trans	-149.5	131.2	-166	169.7	176.7	-177.7	176.5	-0.9	110.8	A446 E456 D460	A446-R458 HydrophobicContact CB-CB 4.12Å; A446-R458 HydrophobicContact CB-CG 4.21Å; A446-R458 PolarHBondContact N-O 2.75Å; E456-R458 HydrophobicContact CG-CB 4.13Å; E456-R458 PolarHBondContact O-N 3.02Å; E456-R458 WeakPolarHBondContact OE1-CD 3.44Å; E456-R458 IonicContact OE1-NH1 2.7Å; R458-D460 WeakPolarHBondContact CD-OD2 3.39Å; R458-D460 WeakPolarHBondContact CG-OD2 3.25Å; R458-D460 IonicContact CZ-OD1 2.86Å; R458-D460 VanDerWaalsContact CZ-OD1 3.3Å; R458-D460 IonicContact CZ-OD2 3.18Å; R458-D460 VanDerWaalsContact NE-CG 3.29Å; R458-D460 IonicContact NE-OD1 2.67Å; R458-D460 PolarHBondContact NE-OD1 3.14Å; R458-D460 IonicContact NE-OD2 3.67Å; R458-D460 PolarHBondContact NE-OD2 3.11Å; R458-D460 IonicContact NH2-OD1 3.48Å; R458-D460 PolarHBondContact NH2-OD1 2.99Å; R458-D460 IonicContact NH2-OD2 3.07Å
459	M	97.9	Very high	96	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-135.6	98.7	165.2	-165.8	-179.7	86.3	0	0	108.6	A64 L78 P80 F444 F463 L464	A64-M459 HydrophobicContact CB-CE 4.22Å; A64-M459 HydrophobicContact CB-SD 4.12Å; L78-M459 HydrophobicContact CB-CB 4.39Å; L78-M459 HydrophobicContact CB-CE 4.15Å; L78-M459 HydrophobicContact CD2-CE 3.65Å; L78-M459 HydrophobicContact CD2-SD 4.14Å; L78-M459 PolarHBondContact O-N 2.94Å; P80-M459 HydrophobicContact CG-CB 4.19Å; F444-M459 HydrophobicContact CB-SD 4.37Å; F444-M459 WeakPolarHBondContact O-CB 3.46Å; F444-M459 VanDerWaalsContact O-CG 3.26Å; F444-M459 WeakPolarHBondContact O-CG 3.28Å; M459-F463 HydrophobicContact CG-CD1 3.99Å; M459-F463 HydrophobicContact SD-CD1 4.07Å; M459-L464 HydrophobicContact CE-CD1 4.18Å; M459-L464 HydrophobicContact CE-CD2 4.13Å; M459-L464 HydrophobicContact CE-CG 4.24Å
460	D	96.9	Very high	96.2	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.139	C	C	.	.			trans	-64.6	155.7	179.5	-57.6	-114.2	0	0	0	112.3	R458 F462 F463	R458-D460 WeakPolarHBondContact CD-OD2 3.39Å; R458-D460 WeakPolarHBondContact CG-OD2 3.25Å; R458-D460 IonicContact CZ-OD1 2.86Å; R458-D460 VanDerWaalsContact CZ-OD1 3.3Å; R458-D460 IonicContact CZ-OD2 3.18Å; R458-D460 VanDerWaalsContact NE-CG 3.29Å; R458-D460 IonicContact NE-OD1 2.67Å; R458-D460 PolarHBondContact NE-OD1 3.14Å; R458-D460 IonicContact NE-OD2 3.67Å; R458-D460 PolarHBondContact NE-OD2 3.11Å; R458-D460 IonicContact NH2-OD1 3.48Å; R458-D460 PolarHBondContact NH2-OD1 2.99Å; R458-D460 IonicContact NH2-OD2 3.07Å; D460-F462 HydrophobicContact CB-CD1 3.8Å; D460-F462 HydrophobicContact CB-CD2 4.32Å; D460-F462 HydrophobicContact CB-CE1 3.35Å; D460-F462 HydrophobicContact CB-CE2 3.94Å; D460-F462 HydrophobicContact CB-CG 4.24Å; D460-F462 HydrophobicContact CB-CZ 3.42Å; D460-F462 VanDerWaalsContact CB-CZ 3.42Å; D460-F462 PolarHBondContact O-N 3.15Å; D460-F463 WeakPolarHBondContact O-CB 3.18Å; D460-F463 PolarHBondContact O-N 3.08Å
461	S	97.8	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-40.1	-175.4	70.4	0	0	0	0	113.6	T107 D110 R151 F463 L464 A465	T107-S461 WeakPolarHBondContact OG1-CA 3.12Å; T107-S461 VanDerWaalsContact OG1-CB 3.32Å; T107-S461 WeakPolarHBondContact OG1-CB 3.38Å; D110-S461 WeakPolarHBondContact OD2-CB 2.98Å; D110-S461 PolarHBondContact OD2-OG 3.36Å; R151-S461 PolarHBondContact NH1-OG 2.84Å; S461-F463 PolarHBondContact O-N 3.04Å; S461-L464 PolarHBondContact O-N 3.2Å; S461-A465 PolarHBondContact O-N 3.13Å
462	F	97.9	Very high	96.8	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-57.3	-22.2	176.9	56.8	-110.1	0	0	0	113.6	D110 P402 P405 D460 L464 A465 E466 M467 E493	D110-F462 PolarHBondContact OD2-N 3.01Å; P402-F462 WeakPolarHBondContact O-CE2 3.47Å; P402-F462 WeakPolarHBondContact O-CZ 3.24Å; P405-F462 HydrophobicContact CG-CD2 4.18Å; D460-F462 HydrophobicContact CB-CD1 3.8Å; D460-F462 HydrophobicContact CB-CD2 4.32Å; D460-F462 HydrophobicContact CB-CE1 3.35Å; D460-F462 HydrophobicContact CB-CE2 3.94Å; D460-F462 HydrophobicContact CB-CG 4.24Å; D460-F462 HydrophobicContact CB-CZ 3.42Å; D460-F462 VanDerWaalsContact CB-CZ 3.42Å; D460-F462 PolarHBondContact O-N 3.15Å; F462-L464 PolarHBondContact O-N 2.91Å; F462-A465 PolarHBondContact O-N 3.31Å; F462-E466 HydrophobicContact CB-CG 4.17Å; F462-E466 WeakPolarHBondContact O-CA 3.27Å; F462-E466 VanDerWaalsContact O-CB 3.31Å; F462-E466 WeakPolarHBondContact O-CB 3.28Å; F462-E466 PolarHBondContact O-N 3.27Å; F462-M467 PolarHBondContact O-N 3.46Å; F462-E493 WeakPolarHBondContact CB-OE1 3.43Å
463	F	98.5	Very high	97	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-63.3	-28.7	175.3	-172	-114	0	0	0	112	L403 L434 F444 M459 D460 S461 M467 F468	L403-F463 HydrophobicContact CB-CD2 3.42Å; L403-F463 VanDerWaalsContact CB-CD2 3.42Å; L403-F463 HydrophobicContact CB-CE2 3.84Å; L403-F463 HydrophobicContact CB-CG 4.08Å; L403-F463 HydrophobicContact CD1-CD1 4Å; L403-F463 HydrophobicContact CD1-CD2 3.83Å; L403-F463 HydrophobicContact CD1-CE1 4.15Å; L403-F463 HydrophobicContact CD1-CE2 3.99Å; L403-F463 HydrophobicContact CD1-CG 3.84Å; L403-F463 HydrophobicContact CD1-CZ 4.14Å; L403-F463 HydrophobicContact CG-CD2 4.24Å; L403-F463 HydrophobicContact CG-CE2 4.41Å; L434-F463 HydrophobicContact CD1-CE2 4.36Å; L434-F463 HydrophobicContact CD2-CE2 3.9Å; L434-F463 HydrophobicContact CD2-CZ 4.14Å; F444-F463 HydrophobicContact CB-CD1 4.29Å; F444-F463 HydrophobicContact CB-CE1 3.53Å; F444-F463 HydrophobicContact CB-CZ 3.94Å; F444-F463 HydrophobicContact CD1-CE1 4.31Å; F444-F463 HydrophobicContact CD1-CZ 4.07Å; F444-F463 AromaticContact CD2-CE1 3.67Å; F444-F463 HydrophobicContact CD2-CE1 3.67Å; F444-F463 HydrophobicContact CD2-CZ 4.2Å; F444-F463 HydrophobicContact CE2-CE1 4.46Å; F444-F463 AromaticContact CG-CE1 3.59Å; F444-F463 HydrophobicContact CG-CE1 3.59Å; F444-F463 AromaticContact CG-CZ 3.82Å; F444-F463 HydrophobicContact CG-CZ 3.82Å; M459-F463 HydrophobicContact CG-CD1 3.99Å; M459-F463 HydrophobicContact SD-CD1 4.07Å; D460-F463 WeakPolarHBondContact O-CB 3.18Å; D460-F463 PolarHBondContact O-N 3.08Å; S461-F463 PolarHBondContact O-N 3.04Å; F463-M467 HydrophobicContact CD2-CB 3.63Å; F463-M467 HydrophobicContact CD2-CG 3.75Å; F463-M467 HydrophobicContact CE2-CB 3.87Å; F463-M467 HydrophobicContact CE2-CG 3.88Å; F463-M467 HydrophobicContact CG-CB 4.48Å; F463-M467 WeakPolarHBondContact O-CB 3.46Å; F463-F468 AromaticContact CD1-CE2 3.84Å; F463-F468 HydrophobicContact CD1-CE2 3.84Å; F463-F468 HydrophobicContact CD1-CZ 4.32Å; F463-F468 HydrophobicContact CE1-CD2 4.41Å; F463-F468 HydrophobicContact CE1-CE1 4.47Å; F463-F468 AromaticContact CE1-CE2 3.36Å; F463-F468 HydrophobicContact CE1-CE2 3.36Å; F463-F468 AromaticContact CE1-CZ 3.4Å; F463-F468 HydrophobicContact CE1-CZ 3.4Å; F463-F468 VanDerWaalsContact CE1-CZ 3.4Å; F463-F468 HydrophobicContact CE2-CZ 4.46Å; F463-F468 HydrophobicContact CZ-CE1 4.18Å; F463-F468 AromaticContact CZ-CE2 3.82Å; F463-F468 HydrophobicContact CZ-CE2 3.82Å; F463-F468 AromaticContact CZ-CZ 3.49Å; F463-F468 HydrophobicContact CZ-CZ 3.49Å; F463-F468 VanDerWaalsContact CZ-CZ 3.49Å; F463-F468 VanDerWaalsContact O-CD2 3.31Å; F463-F468 WeakPolarHBondContact O-CD2 3.25Å
464	L	98.5	Very high	97.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-95.6	-31.3	173.5	-52.6	-164.9	0	0	0	113.2	F61 A64 Y65 T107 T114 M459 S461 F462 F468	F61-L464 HydrophobicContact CE2-CB 4.25Å; A64-L464 HydrophobicContact CB-CD2 3.6Å; Y65-L464 HydrophobicContact CD2-CD1 3.93Å; Y65-L464 HydrophobicContact CG-CD1 4.49Å; T107-L464 HydrophobicContact CG2-CD1 3.55Å; T107-L464 HydrophobicContact CG2-CG 4.22Å; T114-L464 WeakPolarHBondContact CB-O 3.35Å; T114-L464 VanDerWaalsContact CG2-O 3.32Å; T114-L464 WeakPolarHBondContact CG2-O 3.45Å; T114-L464 PolarHBondContact OG1-O 3.15Å; M459-L464 HydrophobicContact CE-CD1 4.18Å; M459-L464 HydrophobicContact CE-CD2 4.13Å; M459-L464 HydrophobicContact CE-CG 4.24Å; S461-L464 PolarHBondContact O-N 3.2Å; F462-L464 PolarHBondContact O-N 2.91Å; L464-F468 HydrophobicContact CD2-CD2 3.77Å; L464-F468 HydrophobicContact CD2-CE2 3.66Å
465	A	97.8	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-72.1	-37	176.8	0	0	0	0	0	112.8	D110 T114 S461 F462 K469	D110-A465 HydrophobicContact CB-CB 4.31Å; D110-A465 VanDerWaalsContact CG-CB 3.46Å; D110-A465 VanDerWaalsContact O-CB 3.31Å; D110-A465 WeakPolarHBondContact O-CB 3.12Å; D110-A465 WeakPolarHBondContact OD1-CB 3.49Å; T114-A465 WeakPolarHBondContact OG1-CA 3.43Å; T114-A465 PolarHBondContact OG1-O 3.41Å; T114-A465 VanDerWaalsContact OG1-O 3.11Å; S461-A465 PolarHBondContact O-N 3.13Å; F462-A465 PolarHBondContact O-N 3.31Å; A465-K469 WeakPolarHBondContact O-CB 3.49Å; A465-K469 WeakPolarHBondContact O-CD 3.47Å; A465-K469 WeakPolarHBondContact O-CE 3.38Å; A465-K469 PolarHBondContact O-NZ 2.87Å
466	E	98.6	Very high	97.3	Very high	13 Å²	13	8.9 Å²	8.9	6%	0.061	4%	0.044	C	C	.	.	I	π-helix	trans	-117.7	-57.9	-167.5	-55.7	-161.1	-113.2	0	0	113.6	P405 F462 F468 K469 Y470 A494	P405-E466 HydrophobicContact CB-CB 3.55Å; P405-E466 HydrophobicContact CB-CG 4.43Å; P405-E466 HydrophobicContact CG-CB 3.85Å; P405-E466 VanDerWaalsContact CG-CD 3.48Å; P405-E466 HydrophobicContact CG-CG 4.22Å; P405-E466 VanDerWaalsContact CG-OE1 3.28Å; P405-E466 WeakPolarHBondContact CG-OE1 3.25Å; F462-E466 HydrophobicContact CB-CG 4.17Å; F462-E466 WeakPolarHBondContact O-CA 3.27Å; F462-E466 VanDerWaalsContact O-CB 3.31Å; F462-E466 WeakPolarHBondContact O-CB 3.28Å; F462-E466 PolarHBondContact O-N 3.27Å; E466-F468 PolarHBondContact O-N 3.1Å; E466-K469 WeakPolarHBondContact O-CA 2.95Å; E466-K469 WeakPolarHBondContact O-CB 3.39Å; E466-K469 PolarHBondContact O-N 3.16Å; E466-Y470 HydrophobicContact CB-CD2 4.19Å; E466-Y470 HydrophobicContact CB-CE2 4.03Å; E466-Y470 VanDerWaalsContact O-CD2 3.32Å; E466-Y470 WeakPolarHBondContact O-CD2 3.35Å; E466-Y470 PolarHBondContact O-N 2.97Å; E466-A494 HydrophobicContact CB-CB 4.11Å; E466-A494 HydrophobicContact CG-CB 3.68Å
467	M	98.3	Very high	97.1	Very high	8 Å²	8	8.1 Å²	8.1	4%	0.039	4%	0.041	C	C	.	.	I	π-helix	trans	-57.4	-49.9	-167.1	-117.5	-64.1	-173.1	0	0	111.7	R404 P405 A408 L434 F462 F463 L471	R404-M467 WeakPolarHBondContact O-CE 3.28Å; P405-M467 HydrophobicContact CB-CB 4.46Å; P405-M467 HydrophobicContact CB-CG 3.98Å; A408-M467 HydrophobicContact CB-CE 4.27Å; A408-M467 HydrophobicContact CB-SD 3.84Å; L434-M467 HydrophobicContact CD1-CE 4.48Å; L434-M467 HydrophobicContact CD1-SD 4.25Å; F462-M467 PolarHBondContact O-N 3.46Å; F463-M467 HydrophobicContact CD2-CB 3.63Å; F463-M467 HydrophobicContact CD2-CG 3.75Å; F463-M467 HydrophobicContact CE2-CB 3.87Å; F463-M467 HydrophobicContact CE2-CG 3.88Å; F463-M467 HydrophobicContact CG-CB 4.48Å; F463-M467 WeakPolarHBondContact O-CB 3.46Å; M467-L471 VanDerWaalsContact O-CB 3.3Å; M467-L471 WeakPolarHBondContact O-CB 3.4Å; M467-L471 VanDerWaalsContact O-CG 3.23Å; M467-L471 WeakPolarHBondContact O-CG 3.33Å; M467-L471 PolarHBondContact O-N 2.04Å; M467-L471 HydrophobicContact SD-CD1 3.86Å; M467-L471 HydrophobicContact SD-CG 4.34Å
468	F	98.3	Very high	96.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-73	-28.1	176.5	-66.1	-53	0	0	0	113.6	V57 M60 F61 A64 F444 F463 L464 E466 Y472	V57-F468 HydrophobicContact CG1-CB 4.35Å; V57-F468 HydrophobicContact CG1-CD1 4.07Å; M60-F468 HydrophobicContact CB-CD1 4.31Å; M60-F468 HydrophobicContact CB-CE1 3.4Å; M60-F468 VanDerWaalsContact CB-CE1 3.4Å; M60-F468 HydrophobicContact CB-CZ 3.78Å; M60-F468 HydrophobicContact CE-CE1 3.98Å; M60-F468 HydrophobicContact CG-CE1 4.45Å; M60-F468 HydrophobicContact SD-CE1 4.35Å; F61-F468 HydrophobicContact CB-CB 4.32Å; F61-F468 HydrophobicContact CB-CD2 4.09Å; F61-F468 HydrophobicContact CB-CG 4.07Å; F61-F468 HydrophobicContact CD2-CB 3.88Å; F61-F468 AromaticContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CG 4.07Å; F61-F468 HydrophobicContact CG-CD2 4.38Å; A64-F468 HydrophobicContact CB-CE2 3.82Å; A64-F468 HydrophobicContact CB-CZ 4.32Å; F444-F468 HydrophobicContact CD2-CZ 4.32Å; F444-F468 HydrophobicContact CE2-CZ 4.01Å; F444-F468 HydrophobicContact CZ-CZ 4.41Å; F463-F468 AromaticContact CD1-CE2 3.84Å; F463-F468 HydrophobicContact CD1-CE2 3.84Å; F463-F468 HydrophobicContact CD1-CZ 4.32Å; F463-F468 HydrophobicContact CE1-CD2 4.41Å; F463-F468 HydrophobicContact CE1-CE1 4.47Å; F463-F468 AromaticContact CE1-CE2 3.36Å; F463-F468 HydrophobicContact CE1-CE2 3.36Å; F463-F468 AromaticContact CE1-CZ 3.4Å; F463-F468 HydrophobicContact CE1-CZ 3.4Å; F463-F468 VanDerWaalsContact CE1-CZ 3.4Å; F463-F468 HydrophobicContact CE2-CZ 4.46Å; F463-F468 HydrophobicContact CZ-CE1 4.18Å; F463-F468 AromaticContact CZ-CE2 3.82Å; F463-F468 HydrophobicContact CZ-CE2 3.82Å; F463-F468 AromaticContact CZ-CZ 3.49Å; F463-F468 HydrophobicContact CZ-CZ 3.49Å; F463-F468 VanDerWaalsContact CZ-CZ 3.49Å; F463-F468 VanDerWaalsContact O-CD2 3.31Å; F463-F468 WeakPolarHBondContact O-CD2 3.25Å; L464-F468 HydrophobicContact CD2-CD2 3.77Å; L464-F468 HydrophobicContact CD2-CE2 3.66Å; E466-F468 PolarHBondContact O-N 3.1Å; F468-Y472 WeakPolarHBondContact O-CB 3.49Å; F468-Y472 PolarHBondContact O-N 3.36Å
469	K	97.8	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.2	-53.8	176.1	-172.5	-175.7	-76.2	155.7	0	110.1	D113 T114 V117 A465 E466 Y472 L473 F490 A494	D113-K469 WeakPolarHBondContact OD1-CE 3.09Å; D113-K469 IonicContact OD1-NZ 2.89Å; D113-K469 PolarHBondContact OD1-NZ 3.32Å; D113-K469 IonicContact OD2-NZ 2.9Å; T114-K469 HydrophobicContact CG2-CB 4.34Å; T114-K469 VanDerWaalsContact OG1-CE 3.24Å; T114-K469 WeakPolarHBondContact OG1-CE 3.5Å; V117-K469 HydrophobicContact CG1-CG 4.21Å; V117-K469 HydrophobicContact CG2-CG 4.39Å; A465-K469 WeakPolarHBondContact O-CB 3.49Å; A465-K469 WeakPolarHBondContact O-CD 3.47Å; A465-K469 WeakPolarHBondContact O-CE 3.38Å; A465-K469 PolarHBondContact O-NZ 2.87Å; E466-K469 WeakPolarHBondContact O-CA 2.95Å; E466-K469 WeakPolarHBondContact O-CB 3.39Å; E466-K469 PolarHBondContact O-N 3.16Å; K469-Y472 PolarHBondContact O-N 3.29Å; K469-L473 HydrophobicContact CG-CD1 4.28Å; K469-L473 WeakPolarHBondContact O-CB 3.44Å; K469-L473 VanDerWaalsContact O-CG 3.23Å; K469-L473 WeakPolarHBondContact O-CG 3.18Å; K469-L473 PolarHBondContact O-N 3.04Å; K469-L473 VanDerWaalsContact O-N 3.08Å; K469-F490 HydrophobicContact CD-CD1 4.48Å; K469-F490 HydrophobicContact CD-CE1 4.1Å; K469-A494 HydrophobicContact CD-CB 3.94Å; K469-A494 VanDerWaalsContact CD-O 3.28Å; K469-A494 WeakPolarHBondContact CD-O 3.33Å; K469-A494 PolarHBondContact NZ-O 2.85Å
470	Y	98.5	Very high	95.7	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-66.6	-41.1	177.6	-65.2	-56.2	0	0	0	113.1	E409 Y412 E466 Y472 L473 L474 F490 A494	E409-Y470 HydrophobicContact CB-CD1 4.41Å; E409-Y470 HydrophobicContact CB-CD2 3.81Å; E409-Y470 HydrophobicContact CB-CE1 4.24Å; E409-Y470 HydrophobicContact CB-CE2 3.59Å; E409-Y470 HydrophobicContact CB-CG 4.22Å; E409-Y470 HydrophobicContact CG-CD1 4.46Å; E409-Y470 HydrophobicContact CG-CD2 4.47Å; E409-Y470 HydrophobicContact CG-CE1 3.9Å; E409-Y470 HydrophobicContact CG-CE2 3.9Å; Y412-Y470 HydrophobicContact CD1-CD1 4.06Å; Y412-Y470 HydrophobicContact CG-CD1 4.39Å; E466-Y470 HydrophobicContact CB-CD2 4.19Å; E466-Y470 HydrophobicContact CB-CE2 4.03Å; E466-Y470 VanDerWaalsContact O-CD2 3.32Å; E466-Y470 WeakPolarHBondContact O-CD2 3.35Å; E466-Y470 PolarHBondContact O-N 2.97Å; Y470-Y472 PolarHBondContact O-N 2.87Å; Y470-L473 PolarHBondContact O-N 3.41Å; Y470-L474 WeakPolarHBondContact O-CB 3.17Å; Y470-L474 PolarHBondContact O-N 2.74Å; Y470-F490 AromaticContact CE1-CD1 3.95Å; Y470-F490 HydrophobicContact CE1-CD1 3.95Å; Y470-F490 HydrophobicContact CE1-CE1 4.05Å; Y470-F490 HydrophobicContact CE1-CG 4.45Å; Y470-A494 HydrophobicContact CE1-CB 4.31Å; Y470-A494 HydrophobicContact CE2-CB 3.61Å; Y470-A494 VanDerWaalsContact CZ-CB 3.45Å; Y470-A494 WeakPolarHBondContact OH-CB 3.44Å
471	L	98.4	Very high	95.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-37.1	176.8	-73.4	174.1	0	0	0	112.4	V57 A408 L430 I431 L434 M467 F475	V57-L471 HydrophobicContact CG1-CB 4.19Å; V57-L471 HydrophobicContact CG2-CB 3.93Å; A408-L471 HydrophobicContact CB-CD2 4.41Å; A408-L471 HydrophobicContact CB-CG 4.4Å; L430-L471 HydrophobicContact CB-CD2 4.27Å; L430-L471 HydrophobicContact CD1-CD2 4.2Å; I431-L471 HydrophobicContact CG1-CD1 4.3Å; I431-L471 HydrophobicContact CG1-CD2 4.43Å; L434-L471 HydrophobicContact CD1-CD1 3.97Å; M467-L471 VanDerWaalsContact O-CB 3.3Å; M467-L471 WeakPolarHBondContact O-CB 3.4Å; M467-L471 VanDerWaalsContact O-CG 3.23Å; M467-L471 WeakPolarHBondContact O-CG 3.33Å; M467-L471 PolarHBondContact O-N 2.04Å; M467-L471 HydrophobicContact SD-CD1 3.86Å; M467-L471 HydrophobicContact SD-CG 4.34Å; L471-F475 WeakPolarHBondContact O-CD2 3.45Å
472	Y	98.1	Very high	94.9	Very high	16 Å²	16	23.7 Å²	23.7	6%	0.063	12%	0.115	C	C	.	.	H	α-helix	trans	-68.2	-47.7	176	-179.7	-102	0	0	0	111.4	L58 V117 L118 F468 K469 Y470 L474 F475 A476	L58-Y472 HydrophobicContact CD1-CE2 3.98Å; L58-Y472 HydrophobicContact CD2-CD2 4.07Å; L58-Y472 HydrophobicContact CD2-CE2 3.87Å; L58-Y472 HydrophobicContact CG-CD2 4.1Å; L58-Y472 HydrophobicContact CG-CE2 3.86Å; V117-Y472 HydrophobicContact CG1-CD1 4.14Å; V117-Y472 VanDerWaalsContact O-CE1 3.24Å; V117-Y472 WeakPolarHBondContact O-CE1 3.33Å; L118-Y472 HydrophobicContact CD2-CD1 3.65Å; L118-Y472 HydrophobicContact CD2-CD2 3.71Å; L118-Y472 HydrophobicContact CD2-CE1 4.32Å; L118-Y472 HydrophobicContact CD2-CE2 4.39Å; L118-Y472 HydrophobicContact CD2-CG 3.28Å; F468-Y472 WeakPolarHBondContact O-CB 3.49Å; F468-Y472 PolarHBondContact O-N 3.36Å; K469-Y472 PolarHBondContact O-N 3.29Å; Y470-Y472 PolarHBondContact O-N 2.87Å; Y472-L474 PolarHBondContact O-N 2.92Å; Y472-F475 PolarHBondContact O-N 3.32Å; Y472-A476 HydrophobicContact CD1-CB 4.32Å; Y472-A476 HydrophobicContact CE1-CB 4.02Å; Y472-A476 WeakPolarHBondContact O-CB 3.47Å; Y472-A476 PolarHBondContact O-N 2.91Å
473	L	97.2	Very high	94.6	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-23.4	179.4	-69.3	174.9	0	0	0	113.6	V117 Y412 K469 Y470 I481 I485 F490	V117-L473 HydrophobicContact CG1-CD1 4.29Å; V117-L473 HydrophobicContact CG1-CD2 3.84Å; V117-L473 HydrophobicContact CG1-CG 3.95Å; Y412-L473 HydrophobicContact CD2-CB 3.83Å; Y412-L473 HydrophobicContact CE2-CB 3.49Å; Y412-L473 VanDerWaalsContact CE2-CB 3.49Å; Y412-L473 WeakPolarHBondContact CE2-O 3.36Å; K469-L473 HydrophobicContact CG-CD1 4.28Å; K469-L473 WeakPolarHBondContact O-CB 3.44Å; K469-L473 VanDerWaalsContact O-CG 3.23Å; K469-L473 WeakPolarHBondContact O-CG 3.18Å; K469-L473 PolarHBondContact O-N 3.04Å; K469-L473 VanDerWaalsContact O-N 3.08Å; Y470-L473 PolarHBondContact O-N 3.41Å; L473-I481 HydrophobicContact CD2-CD1 3.65Å; L473-I481 HydrophobicContact CD2-CG1 4.44Å; L473-I485 HydrophobicContact CD1-CD1 4.47Å; L473-I485 HydrophobicContact CD2-CD1 3.89Å; L473-I485 HydrophobicContact CD2-CG1 3.86Å; L473-F490 HydrophobicContact CD1-CE1 4.01Å; L473-F490 HydrophobicContact CD1-CZ 3.71Å
474	L	97.1	Very high	94.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-30.8	172.6	177.6	62.2	0	0	0	113.2	T411 Y412 Y415 L424 Y470 Y472	T411-L474 HydrophobicContact CG2-CD1 4.47Å; T411-L474 HydrophobicContact CG2-CD2 3.85Å; Y412-L474 HydrophobicContact CD2-CB 4.46Å; Y415-L474 HydrophobicContact CD1-CD1 3.66Å; Y415-L474 HydrophobicContact CG-CD1 3.65Å; L424-L474 HydrophobicContact CD2-CD1 3.94Å; L424-L474 HydrophobicContact CD2-CG 4.15Å; L424-L474 WeakPolarHBondContact CD2-O 3.16Å; Y470-L474 WeakPolarHBondContact O-CB 3.17Å; Y470-L474 PolarHBondContact O-N 2.74Å; Y472-L474 PolarHBondContact O-N 2.92Å
475	F	96.8	Very high	94	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-107.6	-23.8	-175.6	-66.3	-65.9	0	0	0	115.1	M45 L53 L424 I431 L471 Y472	M45-F475 HydrophobicContact CE-CE1 4.19Å; M45-F475 HydrophobicContact SD-CD1 4.14Å; M45-F475 HydrophobicContact SD-CE1 3.94Å; L53-F475 HydrophobicContact CB-CB 4.48Å; L53-F475 HydrophobicContact CB-CD1 3.92Å; L53-F475 HydrophobicContact CB-CD2 4.04Å; L53-F475 HydrophobicContact CB-CE1 4.19Å; L53-F475 HydrophobicContact CB-CE2 4.34Å; L53-F475 HydrophobicContact CB-CG 3.86Å; L53-F475 HydrophobicContact CB-CZ 4.42Å; L53-F475 HydrophobicContact CD1-CD1 3.91Å; L53-F475 HydrophobicContact CD1-CE1 3.5Å; L53-F475 VanDerWaalsContact CD1-CE1 3.5Å; L53-F475 HydrophobicContact CD1-CZ 3.93Å; L53-F475 HydrophobicContact CG-CE1 4.49Å; L424-F475 HydrophobicContact CB-CE1 3.98Å; L424-F475 HydrophobicContact CD2-CD1 3.98Å; L424-F475 HydrophobicContact CD2-CE1 3.89Å; L424-F475 WeakPolarHBondContact O-CZ 3.26Å; I431-F475 HydrophobicContact CD1-CD2 3.93Å; I431-F475 HydrophobicContact CD1-CE2 3.43Å; I431-F475 VanDerWaalsContact CD1-CE2 3.43Å; I431-F475 HydrophobicContact CD1-CZ 4.23Å; L471-F475 WeakPolarHBondContact O-CD2 3.45Å; Y472-F475 PolarHBondContact O-N 3.32Å
476	A	93.8	Very high	93.7	Very high	15 Å²	15	32.5 Å²	32.5	12%	0.124	16%	0.159	C	C	.	.			trans	-62.4	140.5	175	0	0	0	0	0	111.8	Y472 D480 I481	Y472-A476 HydrophobicContact CD1-CB 4.32Å; Y472-A476 HydrophobicContact CE1-CB 4.02Å; Y472-A476 WeakPolarHBondContact O-CB 3.47Å; Y472-A476 PolarHBondContact O-N 2.91Å; A476-D480 HydrophobicContact CB-CB 4.27Å; A476-I481 HydrophobicContact CB-CD1 4.2Å; A476-I481 HydrophobicContact CB-CG1 3.95Å
477	D	89.6	Confident	93.5	Very high	30 Å²	30	36.9 Å²	36.9	16%	0.16	18%	0.182	C	C	.	.			trans	-86.4	165.4	163.8	-64.5	-45.9	0	0	0	109.9	R47 K50 E479 D480	R47-D477 WeakPolarHBondContact CG-OD2 3.41Å; R47-D477 IonicContact CZ-OD2 3.42Å; R47-D477 VanDerWaalsContact CZ-OD2 3.25Å; R47-D477 IonicContact NE-OD2 2.73Å; R47-D477 PolarHBondContact NE-OD2 2.85Å; R47-D477 IonicContact NH2-OD2 3.59Å; R47-D477 PolarHBondContact NH2-OD2 3.49Å; R47-D477 VanDerWaalsContact NH2-OD2 3.11Å; K50-D477 IonicContact NZ-OD1 2.69Å; K50-D477 PolarHBondContact NZ-OD1 3.38Å; D477-E479 PolarHBondContact O-N 3.5Å; D477-D480 PolarHBondContact N-OD2 3.13Å; D477-D480 PolarHBondContact O-N 3.12Å
478	K	85.8	Confident	93.4	Very high	126 Å²	126	37.7 Å²	37.7	55%	0.548	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.4	-177.4	-84.4	-158.8	169.5	-115.3	0	114.2	D484	K478-D484 VanDerWaalsContact NZ-CG 3.33Å; K478-D484 IonicContact NZ-OD1 3.36Å; K478-D484 PolarHBondContact NZ-OD1 2.79Å; K478-D484 IonicContact NZ-OD2 3.32Å; K478-D484 PolarHBondContact NZ-OD2 3.48Å
479	E	86.6	Confident	93.3	Very high	138 Å²	138	38.3 Å²	38.3	65%	0.645	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-13.8	177	-54.3	91.1	-120.7	0	0	114	R47 D477	R47-E479 IonicContact CZ-OE2 2.69Å; R47-E479 IonicContact NH1-OE2 3.38Å; R47-E479 PolarHBondContact NH1-OE2 3.33Å; R47-E479 IonicContact NH2-OE2 3.42Å; R47-E479 PolarHBondContact NH2-OE2 3.01Å; D477-E479 PolarHBondContact O-N 3.5Å
480	D	86.8	Confident	93.3	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.262	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-19.9	-179.6	-57.4	-51.6	0	0	0	112.1	A476 D477	A476-D480 HydrophobicContact CB-CB 4.27Å; D477-D480 PolarHBondContact N-OD2 3.13Å; D477-D480 PolarHBondContact O-N 3.12Å
481	I	90.3	Very high	93.3	Very high	30 Å²	30	38.6 Å²	38.6	15%	0.154	19%	0.19	C	C	.	.	S	Bend	trans	-96.1	129.3	-178.6	-46.4	171.7	0	0	0	109.9	L473 A476 F483 I485	L473-I481 HydrophobicContact CD2-CD1 3.65Å; L473-I481 HydrophobicContact CD2-CG1 4.44Å; A476-I481 HydrophobicContact CB-CD1 4.2Å; A476-I481 HydrophobicContact CB-CG1 3.95Å; I481-F483 VanDerWaalsContact C-N 3.29Å; I481-F483 VanDerWaalsContact CG2-O 3.3Å; I481-F483 WeakPolarHBondContact CG2-O 3.32Å; I481-F483 PolarHBondContact O-N 3.41Å; I481-I485 HydrophobicContact CD1-CG1 4.2Å; I481-I485 HydrophobicContact CG2-CD1 4.18Å; I481-I485 HydrophobicContact CG2-CG1 4.2Å
482	I	89.4	Confident	93.3	Very high	53 Å²	53	39.8 Å²	39.8	27%	0.272	20%	0.197	S	C	.	.	S	Bend	trans	-76.4	-9.1	-171.7	71.8	-176.4	0	0	0	114.8	V116 N119 T121 L166 K169	V116-I482 HydrophobicContact CG1-CD1 3.99Å; N119-I482 HydrophobicContact CB-CG2 4.37Å; N119-I482 WeakPolarHBondContact OD1-CG2 3.35Å; T121-I482 HydrophobicContact CG2-CD1 3.81Å; L166-I482 HydrophobicContact CD2-CD1 3.87Å; K169-I482 PolarHBondContact NZ-O 3.44Å
483	F	90.7	Very high	93.3	Very high	17 Å²	17	39.5 Å²	39.5	8%	0.075	20%	0.196	C	C	.	.	S	Bend	trans	-144.2	157.8	177.1	64.2	-80.4	0	0	0	110.3	V116 V117 L162 M165 I481 I485 Y488 L496	V116-F483 HydrophobicContact CG1-CE1 4.14Å; V117-F483 HydrophobicContact CG2-CE1 4.37Å; V117-F483 HydrophobicContact CG2-CZ 3.99Å; L162-F483 HydrophobicContact CD1-CE1 4.29Å; L162-F483 HydrophobicContact CD1-CZ 3.95Å; L162-F483 HydrophobicContact CD2-CE1 4.38Å; L162-F483 HydrophobicContact CD2-CE2 3.99Å; L162-F483 HydrophobicContact CD2-CZ 3.88Å; M165-F483 HydrophobicContact CE-CB 4.1Å; M165-F483 HydrophobicContact CE-CD1 3.54Å; M165-F483 HydrophobicContact CE-CE1 4.06Å; M165-F483 HydrophobicContact CE-CG 3.86Å; M165-F483 HydrophobicContact SD-CB 4.03Å; M165-F483 HydrophobicContact SD-CG 4.45Å; I481-F483 VanDerWaalsContact C-N 3.29Å; I481-F483 VanDerWaalsContact CG2-O 3.3Å; I481-F483 WeakPolarHBondContact CG2-O 3.32Å; I481-F483 PolarHBondContact O-N 3.41Å; F483-I485 HydrophobicContact CD2-CD1 4.36Å; F483-I485 HydrophobicContact CE2-CD1 3.69Å; F483-I485 HydrophobicContact CZ-CD1 3.82Å; F483-Y488 AromaticContact CD2-CD2 3.94Å; F483-Y488 HydrophobicContact CD2-CD2 3.94Å; F483-Y488 AromaticContact CD2-CE2 3.52Å; F483-Y488 HydrophobicContact CD2-CE2 3.52Å; F483-Y488 AromaticContact CE2-CD2 3.89Å; F483-Y488 HydrophobicContact CE2-CD2 3.89Å; F483-Y488 AromaticContact CE2-CE2 3.78Å; F483-Y488 HydrophobicContact CE2-CE2 3.78Å; F483-L496 HydrophobicContact CE2-CD1 4.04Å; F483-L496 HydrophobicContact CZ-CD1 3.7Å
484	D	91.7	Very high	93.4	Very high	71 Å²	71	39.1 Å²	39.1	38%	0.38	19%	0.194	S	C	.	.			trans	-77.7	128	174.6	-147	-24.2	0	0	0	109.7	K478 E486 D487	K478-D484 VanDerWaalsContact NZ-CG 3.33Å; K478-D484 IonicContact NZ-OD1 3.36Å; K478-D484 PolarHBondContact NZ-OD1 2.79Å; K478-D484 IonicContact NZ-OD2 3.32Å; K478-D484 PolarHBondContact NZ-OD2 3.48Å; D484-E486 VanDerWaalsContact C-N 3.25Å; D484-E486 PolarHBondContact O-N 3.24Å; D484-D487 PolarHBondContact O-N 3.26Å
485	I	93.1	Very high	93.5	Very high	5 Å²	5	39 Å²	39	3%	0.026	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-72	-26.2	-179.6	-62.3	-68.8	0	0	0	110.2	L473 I481 F483 D487 Y488 F490	L473-I485 HydrophobicContact CD1-CD1 4.47Å; L473-I485 HydrophobicContact CD2-CD1 3.89Å; L473-I485 HydrophobicContact CD2-CG1 3.86Å; I481-I485 HydrophobicContact CD1-CG1 4.2Å; I481-I485 HydrophobicContact CG2-CD1 4.18Å; I481-I485 HydrophobicContact CG2-CG1 4.2Å; F483-I485 HydrophobicContact CD2-CD1 4.36Å; F483-I485 HydrophobicContact CE2-CD1 3.69Å; F483-I485 HydrophobicContact CZ-CD1 3.82Å; I485-D487 PolarHBondContact O-N 3.21Å; I485-Y488 PolarHBondContact O-N 3.2Å; I485-Y488 VanDerWaalsContact O-N 3.09Å; I485-F490 HydrophobicContact CG2-CE2 3.61Å; I485-F490 HydrophobicContact CG2-CZ 3.61Å
486	E	91.2	Very high	93.5	Very high	99 Å²	99	39 Å²	39	46%	0.463	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-68.2	-12.5	179.8	-44.8	-53.7	91.7	0	0	113.6	K416 D484 Y488 L499	K416-E486 VanDerWaalsContact NZ-CD 3.27Å; K416-E486 IonicContact NZ-OE1 2.72Å; K416-E486 PolarHBondContact NZ-OE1 3.49Å; K416-E486 IonicContact NZ-OE2 3.65Å; K416-E486 PolarHBondContact NZ-OE2 2.95Å; D484-E486 VanDerWaalsContact C-N 3.25Å; D484-E486 PolarHBondContact O-N 3.24Å; E486-Y488 PolarHBondContact O-N 3.49Å; E486-L499 VanDerWaalsContact O-CD1 3.27Å; E486-L499 WeakPolarHBondContact O-CD1 3.39Å
487	D	93.7	Very high	93.7	Very high	104 Å²	104	38.3 Å²	38.3	56%	0.556	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-77.9	-2	173	-72.5	-33	0	0	0	112.7	D484 I485 L499	D484-D487 PolarHBondContact O-N 3.26Å; I485-D487 PolarHBondContact O-N 3.21Å; D487-L499 WeakPolarHBondContact O-CB 3.43Å; D487-L499 PolarHBondContact O-N 3.12Å
488	Y	96.4	Very high	94	Very high	25 Å²	25	37 Å²	37	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.4	-172.9	-63.5	-102.8	0	0	0	112.1	L162 F483 I485 E486 L496 L497 P498	L162-Y488 HydrophobicContact CD2-CD1 4.47Å; L162-Y488 HydrophobicContact CD2-CE1 3.66Å; F483-Y488 AromaticContact CD2-CD2 3.94Å; F483-Y488 HydrophobicContact CD2-CD2 3.94Å; F483-Y488 AromaticContact CD2-CE2 3.52Å; F483-Y488 HydrophobicContact CD2-CE2 3.52Å; F483-Y488 AromaticContact CE2-CD2 3.89Å; F483-Y488 HydrophobicContact CE2-CD2 3.89Å; F483-Y488 AromaticContact CE2-CE2 3.78Å; F483-Y488 HydrophobicContact CE2-CE2 3.78Å; I485-Y488 PolarHBondContact O-N 3.2Å; I485-Y488 VanDerWaalsContact O-N 3.09Å; E486-Y488 PolarHBondContact O-N 3.49Å; Y488-L496 HydrophobicContact CD1-CB 3.87Å; Y488-L496 HydrophobicContact CG-CB 4.34Å; Y488-L496 HydrophobicContact CG-CD2 4.35Å; Y488-L497 CarbonylContact C-O 3.58Å; Y488-L497 WeakPolarHBondContact CA-O 3.47Å; Y488-P498 HydrophobicContact CD1-CB 3.9Å; Y488-P498 HydrophobicContact CE1-CB 3.72Å; Y488-P498 HydrophobicContact CE1-CG 4.33Å
489	I	96.8	Very high	94.4	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.067	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.2	163.4	-167.2	60.9	0	0	0	109.4	K302 V305 L306 L497 L499	K302-I489 HydrophobicContact CB-CG1 4.25Å; K302-I489 HydrophobicContact CD-CG1 4.35Å; K302-I489 HydrophobicContact CG-CD1 4.22Å; K302-I489 HydrophobicContact CG-CG1 4.19Å; V305-I489 HydrophobicContact CG1-CD1 4.33Å; L306-I489 HydrophobicContact CB-CG2 4.28Å; L306-I489 HydrophobicContact CD1-CG2 3.98Å; L306-I489 HydrophobicContact CD2-CG2 4.28Å; L306-I489 HydrophobicContact CG-CG2 4.41Å; I489-L497 HydrophobicContact CG2-CB 4.06Å; I489-L497 PolarHBondContact N-O 3.48Å; I489-L497 PolarHBondContact O-N 2.9Å; I489-L499 HydrophobicContact CB-CD2 3.92Å; I489-L499 HydrophobicContact CG2-CD2 4.3Å
490	F	98.1	Very high	94.6	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.6	171.5	-65.8	-97.1	0	0	0	109.5	K302 F413 K469 Y470 L473 I485 A494 H495 L496	K302-F490 WeakPolarHBondContact CD-O 3.24Å; K302-F490 VanDerWaalsContact CE-O 3.25Å; K302-F490 WeakPolarHBondContact CE-O 3.48Å; K302-F490 PolarHBondContact NZ-O 3.42Å; F413-F490 HydrophobicContact CZ-CD2 4.15Å; K469-F490 HydrophobicContact CD-CD1 4.48Å; K469-F490 HydrophobicContact CD-CE1 4.1Å; Y470-F490 AromaticContact CE1-CD1 3.95Å; Y470-F490 HydrophobicContact CE1-CD1 3.95Å; Y470-F490 HydrophobicContact CE1-CE1 4.05Å; Y470-F490 HydrophobicContact CE1-CG 4.45Å; L473-F490 HydrophobicContact CD1-CE1 4.01Å; L473-F490 HydrophobicContact CD1-CZ 3.71Å; I485-F490 HydrophobicContact CG2-CE2 3.61Å; I485-F490 HydrophobicContact CG2-CZ 3.61Å; F490-A494 HydrophobicContact CD1-CB 4.16Å; F490-A494 WeakPolarHBondContact CD1-O 3.23Å; F490-H495 CarbonylContact C-O 3.56Å; F490-H495 VanDerWaalsContact CA-O 3.28Å; F490-H495 WeakPolarHBondContact CA-O 3.3Å; F490-L496 HydrophobicContact CD1-CD2 3.93Å; F490-L496 HydrophobicContact CD2-CD2 4.36Å; F490-L496 HydrophobicContact CE1-CD2 3.7Å; F490-L496 HydrophobicContact CE1-CG 4.42Å; F490-L496 HydrophobicContact CE2-CD2 4.15Å; F490-L496 HydrophobicContact CG-CD2 4.26Å; F490-L496 HydrophobicContact CZ-CD2 3.81Å
491	T	98.5	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.			trans	-66	-172.2	163.8	62.5	0	0	0	0	111	L235 E236 Y299 K302 A494 H495 L497	L235-T491 HydrophobicContact CD1-CG2 4.45Å; E236-T491 WeakPolarHBondContact OE1-CG2 3.42Å; Y299-T491 WeakPolarHBondContact OH-CB 3.36Å; K302-T491 PolarHBondContact NZ-O 2.92Å; T491-A494 PolarHBondContact O-N 3.18Å; T491-H495 HydrophobicContact CG2-CB 4.11Å; T491-H495 PolarHBondContact N-O 3.31Å; T491-H495 WeakPolarHBondContact OG1-CB 3.25Å; T491-H495 PolarHBondContact OG1-N 2.93Å; T491-L497 HydrophobicContact CG2-CD1 3.62Å; T491-L497 HydrophobicContact CG2-CG 3.96Å
492	T	98.2	Very high	94.2	Very high	26 Å²	26	31.1 Å²	31.1	16%	0.16	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-47.6	172	-157.3	0	0	0	0	109.8	I150 T232 S295 E298 Y299 A494	I150-T492 HydrophobicContact CB-CG2 3.97Å; I150-T492 HydrophobicContact CD1-CG2 3.99Å; I150-T492 HydrophobicContact CG1-CG2 4.49Å; I150-T492 HydrophobicContact CG2-CG2 3.8Å; T232-T492 HydrophobicContact CG2-CG2 3.9Å; S295-T492 WeakPolarHBondContact CB-OG1 3.23Å; E298-T492 VanDerWaalsContact OE1-CA 3.26Å; E298-T492 WeakPolarHBondContact OE1-CA 3.46Å; E298-T492 WeakPolarHBondContact OE1-CB 3.46Å; E298-T492 PolarHBondContact OE1-N 3.2Å; E298-T492 VanDerWaalsContact OE2-CB 3.26Å; E298-T492 WeakPolarHBondContact OE2-CB 3.43Å; E298-T492 PolarHBondContact OE2-OG1 3.37Å; Y299-T492 HydrophobicContact CE1-CG2 4.35Å; Y299-T492 PolarHBondContact OH-N 3.44Å; Y299-T492 VanDerWaalsContact OH-N 3.11Å; T492-A494 PolarHBondContact O-N 3.12Å
493	E	98.5	Very high	93.2	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.047	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	28.5	173.2	-144.1	91.4	174.2	0	0	113.6	I150 R151 F462 H495	I150-E493 HydrophobicContact CB-CB 4.43Å; I150-E493 VanDerWaalsContact CD1-OE2 3.24Å; I150-E493 WeakPolarHBondContact CD1-OE2 3.35Å; I150-E493 WeakPolarHBondContact CG1-OE2 3.35Å; R151-E493 WeakPolarHBondContact CD-OE1 3.26Å; R151-E493 HydrophobicContact CG-CG 3.97Å; R151-E493 VanDerWaalsContact CG-OE1 3.31Å; R151-E493 WeakPolarHBondContact CG-OE1 3.4Å; R151-E493 IonicContact CZ-OE1 3.94Å; R151-E493 VanDerWaalsContact CZ-OE1 3.31Å; R151-E493 IonicContact NE-OE1 3.68Å; R151-E493 PolarHBondContact NE-OE1 2.86Å; R151-E493 VanDerWaalsContact NE-OE1 3.11Å; R151-E493 IonicContact NH1-OE1 2.72Å; F462-E493 WeakPolarHBondContact CB-OE1 3.43Å; E493-H495 PolarHBondContact O-N 2.89Å
494	A	98.3	Very high	91.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.			trans	53.8	21	179.5	0	0	0	0	0	117.5	E466 K469 Y470 F490 T491 T492	E466-A494 HydrophobicContact CB-CB 4.11Å; E466-A494 HydrophobicContact CG-CB 3.68Å; K469-A494 HydrophobicContact CD-CB 3.94Å; K469-A494 VanDerWaalsContact CD-O 3.28Å; K469-A494 WeakPolarHBondContact CD-O 3.33Å; K469-A494 PolarHBondContact NZ-O 2.85Å; Y470-A494 HydrophobicContact CE1-CB 4.31Å; Y470-A494 HydrophobicContact CE2-CB 3.61Å; Y470-A494 VanDerWaalsContact CZ-CB 3.45Å; Y470-A494 WeakPolarHBondContact OH-CB 3.44Å; F490-A494 HydrophobicContact CD1-CB 4.16Å; F490-A494 WeakPolarHBondContact CD1-O 3.23Å; T491-A494 PolarHBondContact O-N 3.18Å; T492-A494 PolarHBondContact O-N 3.12Å
495	H	98.6	Very high	89.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.			trans	-77.9	145.7	179	-60.4	-58	0	0	0	113.1	D110 D113 I150 R151 G155 F490 T491 E493 L497	D110-H495 PolarHBondContact O-CE1 2.95Å; D110-H495 IonicContact OD1-CE1 3.54Å; D110-H495 PolarHBondContact OD1-CE1 2.89Å; D110-H495 IonicContact OD1-NE2 2.89Å; D110-H495 PolarHBondContact OD1-NE2 2.88Å; D113-H495 IonicContact OD1-ND1 2.92Å; D113-H495 PolarHBondContact OD1-ND1 2.85Å; D113-H495 WeakPolarHBondContact OD2-CA 3.37Å; D113-H495 WeakPolarHBondContact OD2-CB 3.47Å; D113-H495 IonicContact OD2-CG 3.12Å; D113-H495 IonicContact OD2-ND1 2.71Å; I150-H495 PolarHBondContact O-CD2 3.11Å; I150-H495 PolarHBondContact O-NE2 2.66Å; R151-H495 PolarHBondContact O-NE2 3.22Å; G155-H495 VanDerWaalsContact CA-CE1 3.47Å; G155-H495 WeakPolarHBondContact CA-CE1 3.3Å; G155-H495 PolarHBondContact N-CD2 3.28Å; G155-H495 VanDerWaalsContact N-CD2 3.3Å; G155-H495 PolarHBondContact N-NE2 2.81Å; G155-H495 VanDerWaalsContact N-NE2 3.19Å; F490-H495 CarbonylContact C-O 3.56Å; F490-H495 VanDerWaalsContact CA-O 3.28Å; F490-H495 WeakPolarHBondContact CA-O 3.3Å; T491-H495 HydrophobicContact CG2-CB 4.11Å; T491-H495 PolarHBondContact N-O 3.31Å; T491-H495 WeakPolarHBondContact OG1-CB 3.25Å; T491-H495 PolarHBondContact OG1-N 2.93Å; E493-H495 PolarHBondContact O-N 2.89Å; H495-L497 PolarHBondContact O-N 3.07Å
496	L	97.8	Very high	87.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	103.5	-170.9	-70.8	167.6	0	0	0	112.9	D113 V117 L162 F483 Y488 F490	D113-L496 PolarHBondContact OD2-N 3.44Å; V117-L496 HydrophobicContact CG2-CD1 3.54Å; L162-L496 HydrophobicContact CD1-CD1 4.07Å; F483-L496 HydrophobicContact CE2-CD1 4.04Å; F483-L496 HydrophobicContact CZ-CD1 3.7Å; Y488-L496 HydrophobicContact CD1-CB 3.87Å; Y488-L496 HydrophobicContact CG-CB 4.34Å; Y488-L496 HydrophobicContact CG-CD2 4.35Å; F490-L496 HydrophobicContact CD1-CD2 3.93Å; F490-L496 HydrophobicContact CD2-CD2 4.36Å; F490-L496 HydrophobicContact CE1-CD2 3.7Å; F490-L496 HydrophobicContact CE1-CG 4.42Å; F490-L496 HydrophobicContact CE2-CD2 4.15Å; F490-L496 HydrophobicContact CG-CD2 4.26Å; F490-L496 HydrophobicContact CZ-CD2 3.81Å
497	L	97.8	Very high	84.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.1	173.2	-61.4	177.8	0	0	0	110.5	L157 L235 A239 L306 Y488 I489 T491 H495	L157-L497 HydrophobicContact CB-CD2 3.95Å; L235-L497 HydrophobicContact CB-CD1 3.86Å; A239-L497 HydrophobicContact CB-CD1 4.11Å; A239-L497 HydrophobicContact CB-CD2 3.9Å; L306-L497 HydrophobicContact CD2-CB 4.46Å; L306-L497 HydrophobicContact CD2-CD1 4.05Å; Y488-L497 CarbonylContact C-O 3.58Å; Y488-L497 WeakPolarHBondContact CA-O 3.47Å; I489-L497 HydrophobicContact CG2-CB 4.06Å; I489-L497 PolarHBondContact N-O 3.48Å; I489-L497 PolarHBondContact O-N 2.9Å; T491-L497 HydrophobicContact CG2-CD1 3.62Å; T491-L497 HydrophobicContact CG2-CG 3.96Å; H495-L497 PolarHBondContact O-N 3.07Å
498	P	96.1	Very high	82.6	Confident	2 Å²	2	48 Å²	48	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	136	-172.9	26	-32.3	0	0	0	113.2	S161 F243 Y488 W500 L501	S161-P498 VanDerWaalsContact OG-CD 3.3Å; S161-P498 WeakPolarHBondContact OG-CD 3.42Å; F243-P498 HydrophobicContact CZ-CG 4.06Å; Y488-P498 HydrophobicContact CD1-CB 3.9Å; Y488-P498 HydrophobicContact CE1-CB 3.72Å; Y488-P498 HydrophobicContact CE1-CG 4.33Å; P498-W500 HydrophobicContact CB-CG 4.33Å; P498-W500 HydrophobicContact CG-CZ2 4.09Å; P498-W500 PolarHBondContact O-N 3.32Å; P498-W500 VanDerWaalsContact O-N 3.15Å; P498-L501 HydrophobicContact CG-CD1 4.03Å; P498-L501 HydrophobicContact CG-CG 4.14Å; P498-L501 WeakPolarHBondContact O-CB 3.44Å; P498-L501 WeakPolarHBondContact O-CD1 3.41Å; P498-L501 VanDerWaalsContact O-CG 3.24Å; P498-L501 WeakPolarHBondContact O-CG 3.38Å; P498-L501 PolarHBondContact O-N 3.29Å
499	L	94.6	Very high	79.7	Confident	49 Å²	49	51.6 Å²	51.6	26%	0.257	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.7	-176.1	-66.9	179.4	0	0	0	113.9	V305 E486 D487 I489 L501 S502	V305-L499 HydrophobicContact CG1-CD2 3.82Å; E486-L499 VanDerWaalsContact O-CD1 3.27Å; E486-L499 WeakPolarHBondContact O-CD1 3.39Å; D487-L499 WeakPolarHBondContact O-CB 3.43Å; D487-L499 PolarHBondContact O-N 3.12Å; I489-L499 HydrophobicContact CB-CD2 3.92Å; I489-L499 HydrophobicContact CG2-CD2 4.3Å; L499-L501 PolarHBondContact O-N 3.35Å; L499-L501 VanDerWaalsContact O-N 3.15Å; L499-S502 VanDerWaalsContact O-CB 3.3Å; L499-S502 WeakPolarHBondContact O-CB 3.42Å; L499-S502 PolarHBondContact O-N 3.04Å; L499-S502 VanDerWaalsContact O-N 3.13Å; L499-S502 PolarHBondContact O-OG 3.31Å
500	W	90.8	Very high	76.7	Confident	126 Å²	126	59 Å²	59	48%	0.477	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-63.7	-17.9	176.6	64.4	-109.3	0	0	0	113.3	F243 P498 S502 T503	F243-W500 HydrophobicContact CD1-CH2 4.14Å; F243-W500 AromaticContact CE1-CH2 3.66Å; F243-W500 HydrophobicContact CE1-CH2 3.66Å; F243-W500 AromaticContact CE1-CZ2 3.82Å; F243-W500 HydrophobicContact CE1-CZ2 3.82Å; F243-W500 HydrophobicContact CZ-CZ2 4.45Å; P498-W500 HydrophobicContact CB-CG 4.33Å; P498-W500 HydrophobicContact CG-CZ2 4.09Å; P498-W500 PolarHBondContact O-N 3.32Å; P498-W500 VanDerWaalsContact O-N 3.15Å; W500-S502 PolarHBondContact O-N 3Å; W500-T503 PolarHBondContact O-N 3.4Å; W500-T503 PolarHBondContact O-OG1 2.98Å
501	L	88.8	Confident	73.6	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-56.1	-31.7	172.4	-65.4	169.9	0	0	0	112.1	A239 R242 F243 L306 P498 L499 T503 T504	A239-L501 HydrophobicContact CB-CD1 3.93Å; R242-L501 HydrophobicContact CB-CD2 3.82Å; F243-L501 HydrophobicContact CD1-CD2 4.23Å; F243-L501 HydrophobicContact CD2-CD2 4.33Å; F243-L501 HydrophobicContact CE1-CD2 3.99Å; F243-L501 HydrophobicContact CE2-CD1 3.91Å; F243-L501 HydrophobicContact CE2-CD2 4.09Å; F243-L501 HydrophobicContact CG-CD2 4.38Å; F243-L501 HydrophobicContact CZ-CD1 4.06Å; F243-L501 HydrophobicContact CZ-CD2 3.9Å; F243-L501 HydrophobicContact CZ-CG 4.44Å; L306-L501 HydrophobicContact CD1-CB 4.14Å; L306-L501 HydrophobicContact CD1-CD1 4.32Å; P498-L501 HydrophobicContact CG-CD1 4.03Å; P498-L501 HydrophobicContact CG-CG 4.14Å; P498-L501 WeakPolarHBondContact O-CB 3.44Å; P498-L501 WeakPolarHBondContact O-CD1 3.41Å; P498-L501 VanDerWaalsContact O-CG 3.24Å; P498-L501 WeakPolarHBondContact O-CG 3.38Å; P498-L501 PolarHBondContact O-N 3.29Å; L499-L501 PolarHBondContact O-N 3.35Å; L499-L501 VanDerWaalsContact O-N 3.15Å; L501-T503 PolarHBondContact O-N 3.25Å; L501-T504 WeakPolarHBondContact O-CB 3.48Å; L501-T504 PolarHBondContact O-N 2.72Å
502	S	79	Confident	70.5	Confident	45 Å²	45	74.8 Å²	74.8	32%	0.315	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-54.8	-32.9	173.7	64.4	0	0	0	0	113.8	L306 L499 W500	L306-S502 WeakPolarHBondContact O-CA 3.2Å; L306-S502 WeakPolarHBondContact O-CB 3.36Å; L306-S502 PolarHBondContact O-N 2.94Å; L499-S502 VanDerWaalsContact O-CB 3.3Å; L499-S502 WeakPolarHBondContact O-CB 3.42Å; L499-S502 PolarHBondContact O-N 3.04Å; L499-S502 VanDerWaalsContact O-N 3.13Å; L499-S502 PolarHBondContact O-OG 3.31Å; W500-S502 PolarHBondContact O-N 3Å
503	T	69.1	Low	67.3	Low	110 Å²	110	79.7 Å²	79.7	68%	0.675	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-84.5	-15.8	-178.8	71.6	0	0	0	0	112.9	W500 L501 N505	W500-T503 PolarHBondContact O-N 3.4Å; W500-T503 PolarHBondContact O-OG1 2.98Å; L501-T503 PolarHBondContact O-N 3.25Å; T503-N505 PolarHBondContact O-N 2.9Å; T503-N505 VanDerWaalsContact O-N 3.14Å
504	T	59.6	Low	64.1	Low	33 Å²	33	85.9 Å²	85.9	20%	0.202	45%	0.449	C	S	.	.	S	Bend	trans	-78.9	101.8	-171.5	-60.1	0	0	0	0	110.6	R242 L501	R242-T504 WeakPolarHBondContact CD-O 3.46Å; R242-T504 PolarHBondContact NH1-O 3.09Å; L501-T504 WeakPolarHBondContact O-CB 3.48Å; L501-T504 PolarHBondContact O-N 2.72Å
505	N	47.1	Very low	61	Low	112 Å²	112	90.2 Å²	90.2	60%	0.599	48%	0.479	S	S	*	.			trans	63.6	82.9	175.9	-65.2	-38	0	0	0	116.3	R242 T503 S507	R242-N505 PolarHBondContact NH1-O 3.3Å; T503-N505 PolarHBondContact O-N 2.9Å; T503-N505 VanDerWaalsContact O-N 3.14Å; N505-S507 PolarHBondContact O-N 2.84Å
506	R	47.2	Very low	57.6	Low	236 Å²	236	99 Å²	99	89%	0.891	52%	0.52	S	S	*	.			trans	-69.3	54.7	147.8	-84.7	-174.2	164.4	-179.8	-4	111.3
507	S	38.4	Very low	54.5	Low	99 Å²	99	108.6 Å²	108.6	69%	0.692	56%	0.558	S	S	*	*			trans	-108.2	2.6	-179.7	-166.5	0	0	0	0	113.8	N505 S509	N505-S507 PolarHBondContact O-N 2.84Å; S507-S509 PolarHBondContact O-N 2.83Å
508	I	44.6	Very low	51.4	Low	112 Å²	112	113.8 Å²	113.8	57%	0.574	59%	0.59	S	S	*	*	S	Bend	trans	-69.8	126.2	166.8	-62.8	177	0	0	0	107.7	K510	I508-K510 PolarHBondContact O-N 2.92Å; I508-K510 VanDerWaalsContact O-N 3.15Å
509	S	36.1	Very low	48.3	Very low	102 Å²	102	123 Å²	123	71%	0.713	63%	0.633	S	S	*	*			trans	-61.3	116	-172.5	-175.9	0	0	0	0	111.8	S507 K511	S507-S509 PolarHBondContact O-N 2.83Å; S509-K511 VanDerWaalsContact C-N 3.34Å; S509-K511 PolarHBondContact O-N 2.86Å
510	K	34.5	Very low	45.5	Very low	167 Å²	167	128 Å²	128	73%	0.726	66%	0.659	S	S	*	*			trans	-61.5	99.2	157.5	-80.7	-165.6	173	-167.1	0	107.8	I508 N512	I508-K510 PolarHBondContact O-N 2.92Å; I508-K510 VanDerWaalsContact O-N 3.15Å; K510-N512 PolarHBondContact O-N 2.97Å
511	K	33.1	Very low	42.6	Very low	184 Å²	184	128.4 Å²	128.4	80%	0.8	67%	0.67	S	S	*	*			trans	-56.1	127.9	160.1	-77	-177.4	176.6	176.4	0	107.2	S509 T513	S509-K511 VanDerWaalsContact C-N 3.34Å; S509-K511 PolarHBondContact O-N 2.86Å; K511-T513 VanDerWaalsContact C-N 3.26Å; K511-T513 PolarHBondContact O-N 3.25Å
512	N	32	Very low	40.2	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	72%	0.715	S	S	*	*			trans	-71.3	78.1	-174.4	-77.9	-24.2	0	0	0	111.7	K510 T514	K510-N512 PolarHBondContact O-N 2.97Å; N512-T514 PolarHBondContact O-N 3.06Å
513	T	31	Very low	38.1	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	73%	0.726	S	S	*	*			trans	-83.5	97.9	162.3	-49.7	0	0	0	0	107.6	K511 S515	K511-T513 VanDerWaalsContact C-N 3.26Å; K511-T513 PolarHBondContact O-N 3.25Å; T513-S515 VanDerWaalsContact C-N 3.29Å; T513-S515 PolarHBondContact O-N 2.77Å
514	T	31.7	Very low	36.5	Very low	140 Å²	140	138.7 Å²	138.7	86%	0.859	72%	0.724	S	S	*	*			trans	-72.2	83.3	175.9	48.7	0	0	0	0	110.5	N512	N512-T514 PolarHBondContact O-N 3.06Å
515	S	32.5	Very low	35.4	Very low	92 Å²	92	145.6 Å²	145.6	64%	0.643	75%	0.751	S	S	*	*			trans	-85.9	136.3	156.3	-167.3	0	0	0	0	108.4	T513 Y517	T513-S515 VanDerWaalsContact C-N 3.29Å; T513-S515 PolarHBondContact O-N 2.77Å; S515-Y517 PolarHBondContact O-N 3.3Å
516	E	28.2	Very low	34.8	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	75%	0.751	S	S	*	*			trans	-67.2	116.3	173.1	-68.7	178.3	113.9	0	0	109	T518	E516-T518 VanDerWaalsContact C-N 3.34Å; E516-T518 PolarHBondContact O-N 2.97Å
517	Y	32.3	Very low	34.6	Very low	202 Å²	202	144.4 Å²	144.4	79%	0.792	75%	0.747	S	S	*	*			trans	-73.8	92.6	166.1	-75.1	-82.1	0	0	0	107.9	S515 E519	S515-Y517 PolarHBondContact O-N 3.3Å; Y517-E519 PolarHBondContact O-N 2.81Å
518	T	32.8	Very low	34.6	Very low	109 Å²	109	144.1 Å²	144.1	67%	0.669	74%	0.741	S	S	*	*			trans	-61.6	117.7	158.5	47	0	0	0	0	107.9	E516 L520	E516-T518 VanDerWaalsContact C-N 3.34Å; E516-T518 PolarHBondContact O-N 2.97Å; T518-L520 PolarHBondContact O-N 3Å
519	E	31.9	Very low	34.5	Very low	197 Å²	197	144.3 Å²	144.3	92%	0.921	75%	0.751	S	S	*	*			trans	-59.1	105.5	167.7	-66.3	177.5	145.8	0	0	108	Y517	Y517-E519 PolarHBondContact O-N 2.81Å
520	L	34.3	Very low	34.9	Very low	154 Å²	154	142.4 Å²	142.4	81%	0.806	74%	0.736	S	S	*	*			trans	-86.8	136.2	171.6	-74.1	173.4	0	0	0	108.5	T518	T518-L520 PolarHBondContact O-N 3Å
521	D	30.9	Very low	35.2	Very low	133 Å²	133	137.8 Å²	137.8	71%	0.711	72%	0.719	S	S	*	*			trans	-53.2	135.4	-172.5	-171.4	29.7	0	0	0	112.8	S523	D521-S523 PolarHBondContact O-N 3.13Å; D521-S523 VanDerWaalsContact OD2-CB 3.26Å; D521-S523 WeakPolarHBondContact OD2-CB 3.5Å; D521-S523 PolarHBondContact OD2-OG 2.85Å
522	D	38.1	Very low	35.8	Very low	178 Å²	178	132.5 Å²	132.5	95%	0.952	70%	0.703	S	S	*	*	S	Bend	trans	-72.5	45.3	-180	-91.7	-39.5	0	0	0	111.7
523	S	33.8	Very low	36.3	Very low	76 Å²	76	131.8 Å²	131.8	53%	0.531	69%	0.694	S	S	.	*			trans	-124.3	12.8	-165.8	67.4	0	0	0	0	115.6	D521	D521-S523 PolarHBondContact O-N 3.13Å; D521-S523 VanDerWaalsContact OD2-CB 3.26Å; D521-S523 WeakPolarHBondContact OD2-CB 3.5Å; D521-S523 PolarHBondContact OD2-OG 2.85Å
524	N	36.1	Very low	37.1	Very low	119 Å²	119	132 Å²	132	64%	0.636	69%	0.689	S	S	*	*			trans	-140.3	135.4	167.3	-123.8	20.1	0	0	0	113.6	D526	N524-D526 PolarHBondContact ND2-OD1 2.88Å; N524-D526 PolarHBondContact ND2-OD2 3.48Å; N524-D526 PolarHBondContact O-N 2.91Å
525	F	36.6	Very low	37.9	Very low	178 Å²	178	129.4 Å²	129.4	78%	0.781	67%	0.67	S	S	*	*			trans	-82.2	15.1	-174.8	-94.3	-105.4	0	0	0	114.2	W527 T528	F525-W527 PolarHBondContact O-N 3.47Å; F525-T528 PolarHBondContact O-N 3.26Å; F525-T528 PolarHBondContact O-OG1 2.88Å
526	D	35.6	Very low	39.1	Very low	111 Å²	111	126.2 Å²	126.2	59%	0.594	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-12.8	-161.8	-61	-16.6	0	0	0	115.5	N524	N524-D526 PolarHBondContact ND2-OD1 2.88Å; N524-D526 PolarHBondContact ND2-OD2 3.48Å; N524-D526 PolarHBondContact O-N 2.91Å
527	W	41.5	Very low	40	Very low	212 Å²	212	122.3 Å²	122.3	80%	0.803	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	19.2	-176.7	-60	103	0	0	0	113.9	L313 F525	L313-W527 HydrophobicContact CD2-CZ3 4.13Å; F525-W527 PolarHBondContact O-N 3.47Å
528	T	39.5	Very low	40.9	Very low	92 Å²	92	119.4 Å²	119.4	56%	0.564	63%	0.633	S	S	*	*	S	Bend	trans	-95.8	142.5	171.3	-29.7	0	0	0	0	109.8	F525	F525-T528 PolarHBondContact O-N 3.26Å; F525-T528 PolarHBondContact O-OG1 2.88Å
529	C	42.7	Very low	42.3	Very low	116 Å²	116	117.7 Å²	117.7	78%	0.784	62%	0.62	S	S	*	*			trans	-51.8	131.7	167.1	-71.1	0	0	0	0	109.5	N531	C529-N531 PolarHBondContact O-N 3.44Å
530	P	44	Very low	43.8	Very low	62 Å²	62	113.6 Å²	113.6	40%	0.403	61%	0.61	S	S	.	*			trans	-63.9	114.2	-164.8	18.9	-29.3	0	0	0	112	T532 L535	P530-T532 PolarHBondContact O-N 3.17Å; P530-L535 HydrophobicContact CB-CD1 3.66Å; P530-L535 HydrophobicContact CB-CG 4.1Å; P530-L535 HydrophobicContact CG-CD1 4.31Å
531	N	41.6	Very low	45.6	Very low	71 Å²	71	111 Å²	111	38%	0.38	60%	0.597	S	S	.	*			trans	-63.5	122	-179.4	-177.3	-7.4	0	0	0	110.3	C529 Q533 I534 L535	C529-N531 PolarHBondContact O-N 3.44Å; N531-Q533 PolarHBondContact O-N 3.08Å; N531-Q533 VanDerWaalsContact O-N 3.12Å; N531-Q533 WeakPolarHBondContact OD1-CB 3.5Å; N531-Q533 WeakPolarHBondContact OD1-CG 3.44Å; N531-Q533 PolarHBondContact OD1-N 3.17Å; N531-I534 HydrophobicContact CB-CB 4.4Å; N531-I534 HydrophobicContact CB-CD1 4.02Å; N531-I534 HydrophobicContact CB-CG1 4.05Å; N531-I534 PolarHBondContact O-N 3.44Å; N531-L535 PolarHBondContact O-N 3.34Å; N531-L535 VanDerWaalsContact O-N 3.13Å
532	T	44.6	Very low	47.9	Very low	73 Å²	73	108.1 Å²	108.1	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-62.7	-16.9	178.5	55	0	0	0	0	113.1	P530 I534 F536	P530-T532 PolarHBondContact O-N 3.17Å; T532-I534 VanDerWaalsContact C-N 3.3Å; T532-F536 HydrophobicContact CG2-CE2 4.09Å; T532-F536 WeakPolarHBondContact O-CB 3.3Å; T532-F536 WeakPolarHBondContact O-CD2 3.48Å; T532-F536 PolarHBondContact O-N 3.32Å
533	Q	43.5	Very low	49.9	Very low	142 Å²	142	100 Å²	100	66%	0.664	53%	0.533	S	S	*	.	H	α-helix	trans	-80.4	-7.9	171.9	-56.4	176.1	1.8	0	0	113.8	N531	N531-Q533 PolarHBondContact O-N 3.08Å; N531-Q533 VanDerWaalsContact O-N 3.12Å; N531-Q533 WeakPolarHBondContact OD1-CB 3.5Å; N531-Q533 WeakPolarHBondContact OD1-CG 3.44Å; N531-Q533 PolarHBondContact OD1-N 3.17Å
534	I	46.3	Very low	52.3	Low	131 Å²	131	98.1 Å²	98.1	67%	0.672	52%	0.516	S	S	*	.	H	α-helix	trans	-112.2	-41.9	-178.4	-58.1	-179.1	0	0	0	111	N531 T532 F536	N531-I534 HydrophobicContact CB-CB 4.4Å; N531-I534 HydrophobicContact CB-CD1 4.02Å; N531-I534 HydrophobicContact CB-CG1 4.05Å; N531-I534 PolarHBondContact O-N 3.44Å; T532-I534 VanDerWaalsContact C-N 3.3Å; I534-F536 VanDerWaalsContact C-N 3.31Å
535	L	49.7	Very low	54.6	Low	87 Å²	87	95.9 Å²	95.9	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-69.1	-28.5	173.1	-72	-170.1	0	0	0	113.1	P530 N531	P530-L535 HydrophobicContact CB-CD1 3.66Å; P530-L535 HydrophobicContact CB-CG 4.1Å; P530-L535 HydrophobicContact CG-CD1 4.31Å; N531-L535 PolarHBondContact O-N 3.34Å; N531-L535 VanDerWaalsContact O-N 3.13Å
536	F	57	Low	56.8	Low	25 Å²	25	88.2 Å²	88.2	11%	0.11	48%	0.477	C	S	.	.	S	Bend	trans	-117.3	121.8	-178.8	-52	-110.9	0	0	0	109.3	I366 T418 T532 I534 N538 Y542	I366-F536 HydrophobicContact CB-CZ 4.27Å; I366-F536 HydrophobicContact CG1-CE2 4.26Å; I366-F536 HydrophobicContact CG1-CZ 3.85Å; I366-F536 HydrophobicContact CG2-CE1 4.19Å; I366-F536 HydrophobicContact CG2-CZ 3.88Å; T418-F536 HydrophobicContact CG2-CE1 4.06Å; T418-F536 HydrophobicContact CG2-CZ 4.17Å; T532-F536 HydrophobicContact CG2-CE2 4.09Å; T532-F536 WeakPolarHBondContact O-CB 3.3Å; T532-F536 WeakPolarHBondContact O-CD2 3.48Å; T532-F536 PolarHBondContact O-N 3.32Å; I534-F536 VanDerWaalsContact C-N 3.31Å; F536-N538 PolarHBondContact O-N 3.1Å; F536-Y542 AromaticContact CD1-CD1 3.9Å; F536-Y542 HydrophobicContact CD1-CD1 3.9Å; F536-Y542 HydrophobicContact CD1-CE1 4.41Å; F536-Y542 HydrophobicContact CE1-CD1 4.07Å; F536-Y542 HydrophobicContact CE1-CE1 4.36Å
537	P	46.8	Very low	59.2	Low	101 Å²	101	83.5 Å²	83.5	66%	0.656	45%	0.451	S	S	*	.			trans	-78.4	44.6	-179.9	33.3	-36.6	0	0	0	112.7	D539	P537-D539 HydrophobicContact CG-CB 4.4Å; P537-D539 PolarHBondContact O-N 3.13Å; P537-D539 VanDerWaalsContact O-N 3.15Å
538	N	51.7	Low	61.3	Low	140 Å²	140	77 Å²	77	75%	0.749	43%	0.429	S	S	*	.	S	Bend	trans	50.8	29.3	-172.9	-66.5	-54.7	0	0	0	114.5	F536 P540	F536-N538 PolarHBondContact O-N 3.1Å; N538-P540 VanDerWaalsContact O-CD 3.27Å; N538-P540 WeakPolarHBondContact O-CD 3.33Å
539	D	62.8	Low	63.4	Low	74 Å²	74	76.7 Å²	76.7	40%	0.396	43%	0.429	S	S	.	.			trans	-96.2	104.1	179.5	-172.5	0.8	0	0	0	111.1	P537 L541 Y542	P537-D539 HydrophobicContact CG-CB 4.4Å; P537-D539 PolarHBondContact O-N 3.13Å; P537-D539 VanDerWaalsContact O-N 3.15Å; D539-L541 PolarHBondContact O-N 2.88Å; D539-L541 VanDerWaalsContact O-N 3.13Å; D539-L541 WeakPolarHBondContact OD1-CA 3.4Å; D539-L541 VanDerWaalsContact OD1-CB 3.24Å; D539-L541 WeakPolarHBondContact OD1-CB 3.49Å; D539-L541 PolarHBondContact OD1-N 3.12Å; D539-Y542 WeakPolarHBondContact O-CB 3.2Å; D539-Y542 PolarHBondContact O-N 2.91Å; D539-Y542 VanDerWaalsContact O-N 3.07Å
540	P	62.4	Low	65.2	Low	111 Å²	111	72.4 Å²	72.4	72%	0.721	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.5	176.7	30.1	-36.3	0	0	0	112.8	N538	N538-P540 VanDerWaalsContact O-CD 3.27Å; N538-P540 WeakPolarHBondContact O-CD 3.33Å
541	L	73.1	Confident	66.7	Low	100 Å²	100	72.7 Å²	72.7	52%	0.524	39%	0.393	S	S	.	.	H	α-helix	trans	-85.7	-7.2	175	-51.5	178.5	0	0	0	112.7	D539 Q544 S545	D539-L541 PolarHBondContact O-N 2.88Å; D539-L541 VanDerWaalsContact O-N 3.13Å; D539-L541 WeakPolarHBondContact OD1-CA 3.4Å; D539-L541 VanDerWaalsContact OD1-CB 3.24Å; D539-L541 WeakPolarHBondContact OD1-CB 3.49Å; D539-L541 PolarHBondContact OD1-N 3.12Å; L541-Q544 PolarHBondContact O-N 2.9Å; L541-S545 WeakPolarHBondContact O-CB 3.34Å; L541-S545 PolarHBondContact O-N 3.42Å
542	Y	79.3	Confident	68.2	Low	72 Å²	72	73 Å²	73	28%	0.282	40%	0.395	S	S	.	.	H	α-helix	trans	-56.9	-56.1	-178.5	177.7	-100.7	0	0	0	111.9	F536 D539 Q544 S545 I546	F536-Y542 AromaticContact CD1-CD1 3.9Å; F536-Y542 HydrophobicContact CD1-CD1 3.9Å; F536-Y542 HydrophobicContact CD1-CE1 4.41Å; F536-Y542 HydrophobicContact CE1-CD1 4.07Å; F536-Y542 HydrophobicContact CE1-CE1 4.36Å; D539-Y542 WeakPolarHBondContact O-CB 3.2Å; D539-Y542 PolarHBondContact O-N 2.91Å; D539-Y542 VanDerWaalsContact O-N 3.07Å; Y542-Q544 VanDerWaalsContact C-N 3.34Å; Y542-Q544 PolarHBondContact O-N 3.04Å; Y542-S545 PolarHBondContact O-N 3.18Å; Y542-S545 VanDerWaalsContact O-N 3.16Å; Y542-S545 PolarHBondContact O-OG 2.89Å; Y542-I546 HydrophobicContact CD1-CD1 4.13Å; Y542-I546 HydrophobicContact CE1-CD1 3.61Å; Y542-I546 HydrophobicContact CE2-CD1 4.35Å; Y542-I546 PolarHBondContact O-N 3.07Å
543	A	79.9	Confident	69.7	Low	6 Å²	6	71.5 Å²	71.5	5%	0.05	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-39.3	177.9	0	0	0	0	0	111.9	I370 D420 S545 I546 R547	I370-A543 HydrophobicContact CD1-CB 3.91Å; D420-A543 HydrophobicContact CB-CB 4.42Å; D420-A543 VanDerWaalsContact OD2-CB 3.27Å; D420-A543 WeakPolarHBondContact OD2-CB 3.45Å; A543-S545 VanDerWaalsContact C-N 3.32Å; A543-S545 PolarHBondContact O-N 3.36Å; A543-I546 PolarHBondContact O-N 3.15Å; A543-R547 WeakPolarHBondContact O-CG 3.42Å; A543-R547 PolarHBondContact O-N 3Å; A543-R547 VanDerWaalsContact O-N 3.15Å
544	Q	83	Confident	71	Confident	37 Å²	37	65 Å²	65	17%	0.173	36%	0.356	C	S	.	.	H	α-helix	trans	-60.1	-40	173.9	-176.7	166.9	20.9	0	0	112.3	A40 L541 Y542 I546 R547 E548	A40-Q544 PolarHBondContact O-NE2 2.91Å; L541-Q544 PolarHBondContact O-N 2.9Å; Y542-Q544 VanDerWaalsContact C-N 3.34Å; Y542-Q544 PolarHBondContact O-N 3.04Å; Q544-I546 PolarHBondContact O-N 2.84Å; Q544-R547 PolarHBondContact O-N 3.45Å; Q544-R547 VanDerWaalsContact O-N 3.13Å; Q544-E548 HydrophobicContact CG-CG 3.69Å; Q544-E548 PolarHBondContact NE2-OE1 3.11Å; Q544-E548 WeakPolarHBondContact O-CG 3.37Å; Q544-E548 PolarHBondContact O-N 3.38Å
545	S	84.4	Confident	71.7	Confident	73 Å²	73	62.9 Å²	62.9	51%	0.51	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-27.8	-178.8	78.6	0	0	0	0	113.5	L541 Y542 A543 P549	L541-S545 WeakPolarHBondContact O-CB 3.34Å; L541-S545 PolarHBondContact O-N 3.42Å; Y542-S545 PolarHBondContact O-N 3.18Å; Y542-S545 VanDerWaalsContact O-N 3.16Å; Y542-S545 PolarHBondContact O-OG 2.89Å; A543-S545 VanDerWaalsContact C-N 3.32Å; A543-S545 PolarHBondContact O-N 3.36Å; S545-P549 WeakPolarHBondContact O-CD 3.4Å
546	I	82.3	Confident	71.8	Confident	17 Å²	17	65.4 Å²	65.4	9%	0.087	35%	0.353	C	S	.	.	H	α-helix	trans	-80.8	-36.8	175.1	-61.8	163.1	0	0	0	110.8	R367 I370 E371 Y542 A543 Q544 P549	R367-I546 HydrophobicContact CB-CD1 4.21Å; R367-I546 HydrophobicContact CG-CD1 3.97Å; I370-I546 HydrophobicContact CB-CG2 4.06Å; I370-I546 HydrophobicContact CD1-CD1 3.95Å; I370-I546 HydrophobicContact CG2-CB 3.92Å; I370-I546 HydrophobicContact CG2-CG2 3.62Å; E371-I546 HydrophobicContact CG-CG2 3.37Å; Y542-I546 HydrophobicContact CD1-CD1 4.13Å; Y542-I546 HydrophobicContact CE1-CD1 3.61Å; Y542-I546 HydrophobicContact CE2-CD1 4.35Å; Y542-I546 PolarHBondContact O-N 3.07Å; A543-I546 PolarHBondContact O-N 3.15Å; Q544-I546 PolarHBondContact O-N 2.84Å; I546-P549 WeakPolarHBondContact O-CD 3.42Å
547	R	87.9	Confident	71.1	Confident	12 Å²	12	67 Å²	67	5%	0.045	37%	0.368	C	S	.	.	H	α-helix	trans	-80.4	-36.9	-176.4	-64.5	-175.8	-65.1	92.6	-4	114.2	I370 E374 D420 Y422 A543 Q544 L550 K551	I370-R547 HydrophobicContact CG2-CG 3.39Å; E374-R547 HydrophobicContact CB-CG 4.09Å; E374-R547 HydrophobicContact CG-CB 4.11Å; E374-R547 HydrophobicContact CG-CG 4.21Å; D420-R547 IonicContact OD1-NH2 2.68Å; D420-R547 PolarHBondContact OD1-NH2 2.89Å; D420-R547 IonicContact OD2-CZ 3.79Å; D420-R547 IonicContact OD2-NE 2.96Å; D420-R547 PolarHBondContact OD2-NE 3.33Å; D420-R547 IonicContact OD2-NH2 3.29Å; D420-R547 PolarHBondContact OD2-NH2 2.9Å; Y422-R547 VanDerWaalsContact CG-CZ 3.42Å; Y422-R547 VanDerWaalsContact CZ-NH1 3.33Å; A543-R547 WeakPolarHBondContact O-CG 3.42Å; A543-R547 PolarHBondContact O-N 3Å; A543-R547 VanDerWaalsContact O-N 3.15Å; Q544-R547 PolarHBondContact O-N 3.45Å; Q544-R547 VanDerWaalsContact O-N 3.13Å; R547-L550 PolarHBondContact O-N 2.8Å; R547-L550 VanDerWaalsContact O-N 3.09Å; R547-K551 PolarHBondContact O-N 2.95Å
548	E	84.3	Confident	70.1	Confident	74 Å²	74	66.4 Å²	66.4	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-57.7	-38.5	-178.6	-70.2	-66.9	149.6	0	0	114.7	Q544 L550 K551	Q544-E548 HydrophobicContact CG-CG 3.69Å; Q544-E548 PolarHBondContact NE2-OE1 3.11Å; Q544-E548 WeakPolarHBondContact O-CG 3.37Å; Q544-E548 PolarHBondContact O-N 3.38Å; E548-L550 VanDerWaalsContact C-N 3.34Å; E548-L550 PolarHBondContact O-N 3.2Å; E548-K551 WeakPolarHBondContact O-CB 3.46Å; E548-K551 PolarHBondContact O-N 3.31Å; E548-K551 IonicContact OE1-NZ 2.88Å; E548-K551 PolarHBondContact OE1-NZ 3.25Å; E548-K551 WeakPolarHBondContact OE2-CD 3.5Å; E548-K551 WeakPolarHBondContact OE2-CE 3.42Å; E548-K551 IonicContact OE2-NZ 3.38Å; E548-K551 PolarHBondContact OE2-NZ 2.97Å
549	P	84.1	Confident	69.3	Low	87 Å²	87	66.1 Å²	66.1	57%	0.565	37%	0.37	S	S	*	.	H	α-helix	trans	-61.6	-36.2	172.6	-25.9	35.3	0	0	0	114.5	S545 I546	S545-P549 WeakPolarHBondContact O-CD 3.4Å; I546-P549 WeakPolarHBondContact O-CD 3.42Å
550	L	80.9	Confident	67.7	Low	26 Å²	26	72.5 Å²	72.5	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-82.3	-19	-177	-63.8	174.9	0	0	0	112.9	P331 E371 E374 R547 E548 N552 V553	P331-L550 HydrophobicContact CB-CD2 4.39Å; P331-L550 HydrophobicContact CG-CD2 4.14Å; E371-L550 HydrophobicContact CB-CD1 4.05Å; E371-L550 HydrophobicContact CG-CD1 4.22Å; E371-L550 WeakPolarHBondContact O-CD1 3.2Å; E374-L550 HydrophobicContact CB-CD1 4.27Å; E374-L550 HydrophobicContact CG-CB 3.81Å; E374-L550 HydrophobicContact CG-CD1 4.44Å; R547-L550 PolarHBondContact O-N 2.8Å; R547-L550 VanDerWaalsContact O-N 3.09Å; E548-L550 VanDerWaalsContact C-N 3.34Å; E548-L550 PolarHBondContact O-N 3.2Å; L550-N552 PolarHBondContact O-N 2.92Å; L550-V553 HydrophobicContact CD2-CG2 4.32Å; L550-V553 VanDerWaalsContact O-CB 3.26Å; L550-V553 WeakPolarHBondContact O-CB 3.43Å; L550-V553 VanDerWaalsContact O-CG2 3.22Å; L550-V553 WeakPolarHBondContact O-CG2 3.37Å; L550-V553 PolarHBondContact O-N 3.22Å
551	K	74.9	Confident	66.3	Low	68 Å²	68	70.7 Å²	70.7	30%	0.296	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	122.2	174.2	-151.8	169.9	-179.2	176.6	0	111.2	R547 E548 V553 K556	R547-K551 PolarHBondContact O-N 2.95Å; E548-K551 WeakPolarHBondContact O-CB 3.46Å; E548-K551 PolarHBondContact O-N 3.31Å; E548-K551 IonicContact OE1-NZ 2.88Å; E548-K551 PolarHBondContact OE1-NZ 3.25Å; E548-K551 WeakPolarHBondContact OE2-CD 3.5Å; E548-K551 WeakPolarHBondContact OE2-CE 3.42Å; E548-K551 IonicContact OE2-NZ 3.38Å; E548-K551 PolarHBondContact OE2-NZ 2.97Å; K551-V553 VanDerWaalsContact C-N 3.28Å; K551-V553 PolarHBondContact O-N 2.75Å; K551-K556 PolarHBondContact O-NZ 3.4Å
552	N	73.7	Confident	64.2	Low	78 Å²	78	73.5 Å²	73.5	42%	0.417	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	23.3	-176.9	-26.7	-78.4	0	0	0	114.7	Q378 L550 V554 D555 K556	Q378-N552 VanDerWaalsContact OE1-CA 3.31Å; L550-N552 PolarHBondContact O-N 2.92Å; N552-V554 PolarHBondContact O-N 2.67Å; N552-D555 HydrophobicContact CB-CB 4.2Å; N552-D555 PolarHBondContact O-N 3.44Å; N552-K556 WeakPolarHBondContact O-CD 3.49Å; N552-K556 WeakPolarHBondContact O-CE 3.23Å; N552-K556 WeakPolarHBondContact O-CG 3.07Å; N552-K556 PolarHBondContact O-N 2.65Å
553	V	76.4	Confident	61.7	Low	40 Å²	40	77.6 Å²	77.6	24%	0.242	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-41.1	169.5	156.7	0	0	0	0	111.1	F394 L550 K551 D555 K556	F394-V553 HydrophobicContact CE2-CG1 3.64Å; F394-V553 HydrophobicContact CZ-CG1 3.97Å; L550-V553 HydrophobicContact CD2-CG2 4.32Å; L550-V553 VanDerWaalsContact O-CB 3.26Å; L550-V553 WeakPolarHBondContact O-CB 3.43Å; L550-V553 VanDerWaalsContact O-CG2 3.22Å; L550-V553 WeakPolarHBondContact O-CG2 3.37Å; L550-V553 PolarHBondContact O-N 3.22Å; K551-V553 VanDerWaalsContact C-N 3.28Å; K551-V553 PolarHBondContact O-N 2.75Å; V553-D555 VanDerWaalsContact C-N 3.32Å; V553-D555 PolarHBondContact O-N 3.42Å; V553-K556 PolarHBondContact O-N 2.94Å
554	V	70.5	Confident	59.3	Low	6 Å²	6	87.3 Å²	87.3	4%	0.036	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.7	-178	170.7	0	0	0	0	113.8	Q378 V379 K382 F394 N552	Q378-V554 HydrophobicContact CB-CB 4.02Å; Q378-V554 HydrophobicContact CB-CG2 3.45Å; Q378-V554 VanDerWaalsContact CB-CG2 3.45Å; V379-V554 HydrophobicContact CG2-CG2 4.34Å; K382-V554 HydrophobicContact CB-CG1 3.82Å; K382-V554 HydrophobicContact CD-CG1 3.23Å; K382-V554 HydrophobicContact CG-CG1 4.18Å; F394-V554 HydrophobicContact CB-CG1 4.04Å; F394-V554 HydrophobicContact CB-CG2 4.04Å; F394-V554 HydrophobicContact CD1-CG2 4.1Å; F394-V554 HydrophobicContact CD2-CB 4.36Å; F394-V554 HydrophobicContact CD2-CG2 3.77Å; F394-V554 HydrophobicContact CE2-CG2 4.25Å; F394-V554 HydrophobicContact CG-CB 4.48Å; F394-V554 HydrophobicContact CG-CG2 3.68Å; N552-V554 PolarHBondContact O-N 2.67Å
555	D	60.5	Low	56.6	Low	86 Å²	86	91.7 Å²	91.7	46%	0.46	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-27.7	177.9	-91.8	-28.2	0	0	0	113.5	N552 V553 S557 C558	N552-D555 HydrophobicContact CB-CB 4.2Å; N552-D555 PolarHBondContact O-N 3.44Å; V553-D555 VanDerWaalsContact C-N 3.32Å; V553-D555 PolarHBondContact O-N 3.42Å; D555-S557 PolarHBondContact O-N 3.1Å; D555-S557 VanDerWaalsContact O-N 3.09Å; D555-C558 PolarHBondContact O-N 2.77Å
556	K	51.9	Low	54.1	Low	140 Å²	140	96.3 Å²	96.3	61%	0.609	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.5	-178.6	-70.2	160.3	-165.8	155.4	0	112.7	K551 N552 V553 C558	K551-K556 PolarHBondContact O-NZ 3.4Å; N552-K556 WeakPolarHBondContact O-CD 3.49Å; N552-K556 WeakPolarHBondContact O-CE 3.23Å; N552-K556 WeakPolarHBondContact O-CG 3.07Å; N552-K556 PolarHBondContact O-N 2.65Å; V553-K556 PolarHBondContact O-N 2.94Å; K556-C558 PolarHBondContact O-N 2.99Å
557	S	41.3	Very low	51.4	Low	60 Å²	60	105 Å²	105	42%	0.42	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	3.3	176.9	-51.3	0	0	0	0	115.3	D555	D555-S557 PolarHBondContact O-N 3.1Å; D555-S557 VanDerWaalsContact O-N 3.09Å
558	C	27.2	Very low	48.6	Very low	87 Å²	87	109.4 Å²	109.4	59%	0.588	58%	0.58	S	S	*	*	S	Bend	trans	-127.1	132.4	176.2	-75.7	0	0	0	0	113.2	D555 K556 R560	D555-C558 PolarHBondContact O-N 2.77Å; K556-C558 PolarHBondContact O-N 2.99Å; C558-R560 PolarHBondContact O-N 3.04Å
559	P	34.1	Very low	46	Very low	134 Å²	134	116.4 Å²	116.4	87%	0.87	61%	0.61	S	S	*	*			trans	-78.2	81.3	-177.3	32.7	-36	0	0	0	112.1	G561	P559-G561 PolarHBondContact O-N 3.47Å
560	R	29.5	Very low	43.4	Very low	209 Å²	209	123.9 Å²	123.9	79%	0.789	63%	0.627	S	S	*	*			trans	-73.3	124	166.9	-74.2	-175.3	173.4	155.9	2.9	110	C558 I562	C558-R560 PolarHBondContact O-N 3.04Å; R560-I562 PolarHBondContact O-N 3.25Å
561	G	33	Very low	41.1	Very low	73 Å²	73	128.4 Å²	128.4	75%	0.753	66%	0.661	S	S	*	*			trans	-60.6	130.2	-177.6	0	0	0	0	0	112.5	P559 I563	P559-G561 PolarHBondContact O-N 3.47Å; G561-I563 PolarHBondContact O-N 3.21Å
562	I	29	Very low	39.2	Very low	159 Å²	159	129 Å²	129	82%	0.815	69%	0.686	S	S	*	*			trans	-73.7	101.1	-176.2	-57.8	174.3	0	0	0	109.9	R560 R564	R560-I562 PolarHBondContact O-N 3.25Å; I562-R564 HydrophobicContact CG2-CB 4.43Å; I562-R564 PolarHBondContact O-N 3.41Å; I562-R564 VanDerWaalsContact O-N 3.15Å
563	I	27.5	Very low	37.3	Very low	158 Å²	158	129.8 Å²	129.8	81%	0.81	70%	0.704	S	S	*	*			trans	-70.7	105.4	160.7	-63	179.2	0	0	0	107.2	G561 V565	G561-I563 PolarHBondContact O-N 3.21Å; I563-V565 PolarHBondContact O-N 3.37Å
564	R	28.2	Very low	35.8	Very low	209 Å²	209	135.3 Å²	135.3	79%	0.789	72%	0.724	S	S	*	*			trans	-88.7	97.8	-174.5	-161.3	-176.1	-159.4	-179.8	5.1	110.1	I562	I562-R564 HydrophobicContact CG2-CB 4.43Å; I562-R564 PolarHBondContact O-N 3.41Å; I562-R564 VanDerWaalsContact O-N 3.15Å
565	V	27.4	Very low	34.7	Very low	130 Å²	130	140.5 Å²	140.5	79%	0.788	76%	0.758	S	S	*	*			trans	-79.2	120.4	164.7	-178	0	0	0	0	107.8	I563	I563-V565 PolarHBondContact O-N 3.37Å
566	E	31	Very low	34.2	Very low	169 Å²	169	142.1 Å²	142.1	79%	0.79	77%	0.773	S	S	*	*			trans	-85.4	124.5	171.4	-65.7	-170.2	126.5	0	0	110
567	E	26.9	Very low	34.4	Very low	199 Å²	199	138.7 Å²	138.7	93%	0.93	76%	0.761	S	S	*	*			trans	-143.5	139.4	151.5	-134.6	173	-150.7	0	0	109.7
568	S	29.1	Very low	35	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	77%	0.767	S	S	*	*			trans	-130	123.7	-154.5	65.8	0	0	0	0	113.8
569	F	28.1	Very low	36.3	Very low	221 Å²	221	141.4 Å²	141.4	97%	0.969	76%	0.763	S	S	*	*			trans	-142.8	157	154.6	-108.7	-81.8	0	0	0	111.9
570	R	30.8	Very low	37	Very low	244 Å²	244	144.1 Å²	144.1	92%	0.921	76%	0.756	S	S	*	*			trans	-99.7	125.5	-157.6	-59.8	178.6	-178.8	-176.4	-0.6	114.3
571	S	31.2	Very low	38.5	Very low	122 Å²	122	137.1 Å²	137.1	85%	0.853	74%	0.735	S	S	*	*			trans	-151.2	146.5	133.8	-165.5	0	0	0	0	109.8	A573	S571-A573 PolarHBondContact O-N 3.27Å
572	G	36.5	Very low	40.1	Very low	80 Å²	80	135.5 Å²	135.5	83%	0.825	71%	0.707	S	S	*	*			trans	-86.8	85.9	-165.3	0	0	0	0	0	114.7
573	A	33.4	Very low	41.5	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-77.7	122.3	161.8	0	0	0	0	0	110.1	S571	S571-A573 PolarHBondContact O-N 3.27Å
574	K	44.4	Very low	42.9	Very low	155 Å²	155	126.5 Å²	126.5	67%	0.674	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-62.5	143.8	161.9	-71.3	-179.9	-177.8	172.1	0	107.8	E588	K574-E588 IonicContact NZ-OE1 2.72Å; K574-E588 IonicContact NZ-OE2 3.5Å; K574-E588 PolarHBondContact NZ-OE2 3.29Å
575	P	47.1	Very low	44.4	Very low	115 Å²	115	122 Å²	122	75%	0.747	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-60.8	151.5	171.5	27.7	-34.9	0	0	0	110.6	L577	P575-L577 PolarHBondContact O-N 3.39Å
576	P	50.9	Low	46.4	Very low	121 Å²	121	117.9 Å²	117.9	79%	0.786	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-60.2	136.7	178.5	25.4	-34.1	0	0	0	110.9	R578	P576-R578 PolarHBondContact O-N 3.41Å
577	L	56.5	Low	48	Very low	67 Å²	67	114.5 Å²	114.5	35%	0.351	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-66.1	117.8	-178.8	-175.7	68.1	0	0	0	110	P575 D581 F582 H589 I592	P575-L577 PolarHBondContact O-N 3.39Å; L577-D581 HydrophobicContact CD1-CB 4.06Å; L577-F582 HydrophobicContact CD2-CD2 3.72Å; L577-F582 HydrophobicContact CD2-CE2 4.45Å; L577-H589 HydrophobicContact CD2-CB 4.22Å; L577-H589 VanDerWaalsContact CD2-CD2 3.46Å; L577-H589 WeakPolarHBondContact CD2-CD2 3.42Å; L577-I592 HydrophobicContact CD2-CD1 4.2Å
578	R	53.2	Low	49.8	Very low	141 Å²	141	110.3 Å²	110.3	53%	0.532	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-78.4	145.9	175.1	-59.1	175.8	-63.8	-147.4	-4.2	109.2	P576 R580 D581 F582	P576-R578 PolarHBondContact O-N 3.41Å; R578-R580 PolarHBondContact O-N 2.81Å; R578-R580 VanDerWaalsContact O-N 3.13Å; R578-D581 IonicContact CZ-OD2 2.61Å; R578-D581 IonicContact NE-OD1 2.72Å; R578-D581 IonicContact NE-OD2 2.82Å; R578-D581 PolarHBondContact NE-OD2 3.21Å; R578-D581 IonicContact NH2-OD1 3.19Å; R578-D581 PolarHBondContact NH2-OD1 2.92Å; R578-D581 IonicContact NH2-OD2 2.74Å; R578-D581 PolarHBondContact NH2-OD2 3.17Å; R578-D581 WeakPolarHBondContact O-CA 3.27Å; R578-D581 PolarHBondContact O-N 2.88Å; R578-F582 PolarHBondContact O-N 2.96Å
579	A	53.8	Low	51.9	Low	63 Å²	63	106.5 Å²	106.5	52%	0.521	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-51.8	-40	-178	0	0	0	0	0	113.7	D581 F582 M611	A579-D581 VanDerWaalsContact C-N 3.26Å; A579-D581 PolarHBondContact O-N 2.9Å; A579-F582 WeakPolarHBondContact O-CB 3.35Å; A579-F582 PolarHBondContact O-N 3.39Å; A579-F582 VanDerWaalsContact O-N 3.16Å; A579-M611 HydrophobicContact CB-SD 4.45Å
580	R	50.2	Low	53.5	Low	192 Å²	192	98.2 Å²	98.2	73%	0.725	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-68.1	-19.6	177.1	81.3	-173.1	-167.7	-178.6	6.2	115.1	R578	R578-R580 PolarHBondContact O-N 2.81Å; R578-R580 VanDerWaalsContact O-N 3.13Å
581	D	59.8	Low	54.9	Low	62 Å²	62	91.8 Å²	91.8	33%	0.332	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-97	1.1	178.4	-49.8	-30.7	0	0	0	110.6	L577 R578 A579 H589	L577-D581 HydrophobicContact CD1-CB 4.06Å; R578-D581 IonicContact CZ-OD2 2.61Å; R578-D581 IonicContact NE-OD1 2.72Å; R578-D581 IonicContact NE-OD2 2.82Å; R578-D581 PolarHBondContact NE-OD2 3.21Å; R578-D581 IonicContact NH2-OD1 3.19Å; R578-D581 PolarHBondContact NH2-OD1 2.92Å; R578-D581 IonicContact NH2-OD2 2.74Å; R578-D581 PolarHBondContact NH2-OD2 3.17Å; R578-D581 WeakPolarHBondContact O-CA 3.27Å; R578-D581 PolarHBondContact O-N 2.88Å; A579-D581 VanDerWaalsContact C-N 3.26Å; A579-D581 PolarHBondContact O-N 2.9Å; D581-H589 PolarHBondContact O-CE1 2.9Å
582	F	66.4	Low	56.5	Low	39 Å²	39	89.3 Å²	89.3	17%	0.171	50%	0.498	C	S	.	.			trans	-70.2	154.1	175.9	-169.4	-87.8	0	0	0	111.4	L577 R578 A579 A584 H589 L593 L608	L577-F582 HydrophobicContact CD2-CD2 3.72Å; L577-F582 HydrophobicContact CD2-CE2 4.45Å; R578-F582 PolarHBondContact O-N 2.96Å; A579-F582 WeakPolarHBondContact O-CB 3.35Å; A579-F582 PolarHBondContact O-N 3.39Å; A579-F582 VanDerWaalsContact O-N 3.16Å; F582-A584 HydrophobicContact CE1-CB 4.45Å; F582-H589 HydrophobicContact CD2-CB 3.96Å; F582-H589 HydrophobicContact CE2-CB 3.6Å; F582-H589 WeakPolarHBondContact CE2-O 3.44Å; F582-H589 HydrophobicContact CZ-CB 3.87Å; F582-L593 HydrophobicContact CE1-CD1 3.93Å; F582-L593 HydrophobicContact CE2-CD1 4.08Å; F582-L593 HydrophobicContact CE2-CG 3.9Å; F582-L593 HydrophobicContact CZ-CD1 3.35Å; F582-L593 HydrophobicContact CZ-CG 3.67Å; F582-L608 HydrophobicContact CD1-CD1 4.02Å; F582-L608 HydrophobicContact CE1-CD1 4.46Å
583	M	60.2	Low	57.4	Low	108 Å²	108	87.4 Å²	87.4	53%	0.532	47%	0.469	S	S	.	.			trans	-146.9	116.1	177.2	-65.2	-175.2	74.1	0	0	109.1	T585 N586 H589	M583-T585 PolarHBondContact O-N 3.05Å; M583-T585 VanDerWaalsContact O-N 3.13Å; M583-N586 HydrophobicContact CB-CB 4.07Å; M583-N586 PolarHBondContact O-N 3.4Å; M583-H589 PolarHBondContact N-ND1 2.99Å; M583-H589 VanDerWaalsContact N-ND1 3.19Å
584	A	56.6	Low	58.5	Low	19 Å²	19	90 Å²	90	16%	0.157	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.9	179.7	0	0	0	0	0	113.5	F582 L590 E605 L608	F582-A584 HydrophobicContact CE1-CB 4.45Å; A584-L590 WeakPolarHBondContact O-CD1 3.29Å; A584-L590 WeakPolarHBondContact O-CD2 3.48Å; A584-L590 WeakPolarHBondContact O-CG 3.19Å; A584-E605 HydrophobicContact CB-CG 4.05Å; A584-L608 HydrophobicContact CB-CD1 4.4Å
585	T	59.1	Low	59.2	Low	115 Å²	115	90 Å²	90	71%	0.706	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7	175.6	52.3	0	0	0	0	114.5	M583	M583-T585 PolarHBondContact O-N 3.05Å; M583-T585 VanDerWaalsContact O-N 3.13Å
586	N	68.8	Low	59.4	Low	44 Å²	44	91.6 Å²	91.6	24%	0.235	46%	0.462	C	S	.	.			trans	-91.9	120.3	179.3	-179.1	-3.1	0	0	0	111	M583 E588 H589 L590	M583-N586 HydrophobicContact CB-CB 4.07Å; M583-N586 PolarHBondContact O-N 3.4Å; N586-E588 PolarHBondContact O-N 2.69Å; N586-E588 PolarHBondContact OD1-N 3.47Å; N586-H589 HydrophobicContact CB-CB 4.02Å; N586-H589 PolarHBondContact ND2-CD2 3.42Å; N586-H589 PolarHBondContact ND2-CE1 3.21Å; N586-H589 VanDerWaalsContact ND2-CE1 3.33Å; N586-H589 PolarHBondContact ND2-ND1 3.4Å; N586-H589 PolarHBondContact ND2-NE2 3.44Å; N586-H589 VanDerWaalsContact ND2-NE2 3.12Å; N586-H589 WeakPolarHBondContact O-CB 3.45Å; N586-H589 PolarHBondContact O-N 2.96Å; N586-L590 PolarHBondContact O-N 3.16Å
587	P	66.1	Low	59.3	Low	98 Å²	98	89 Å²	89	64%	0.636	46%	0.457	S	S	*	.	H	α-helix	trans	-62.8	-33.1	179.9	25	-34.3	0	0	0	114.4	H589 L590 E591	P587-H589 PolarHBondContact O-N 3.24Å; P587-L590 PolarHBondContact O-N 3.24Å; P587-E591 PolarHBondContact O-N 3.08Å; P587-E591 VanDerWaalsContact O-N 3.12Å
588	E	64.3	Low	59.2	Low	111 Å²	111	87.2 Å²	87.2	52%	0.519	45%	0.452	S	S	.	.	H	α-helix	trans	-62.7	-33.9	174.1	-72.9	-166	164.9	0	0	111.1	K574 N586	K574-E588 IonicContact NZ-OE1 2.72Å; K574-E588 IonicContact NZ-OE2 3.5Å; K574-E588 PolarHBondContact NZ-OE2 3.29Å; N586-E588 PolarHBondContact O-N 2.69Å; N586-E588 PolarHBondContact OD1-N 3.47Å
589	H	72.8	Confident	59.2	Low	24 Å²	24	84.8 Å²	84.8	11%	0.111	46%	0.462	C	S	.	.	H	α-helix	trans	-79.3	-41.2	-177.9	-64.1	-175.8	0	0	0	111.1	L577 D581 F582 M583 N586 P587 E591 I592 L593	L577-H589 HydrophobicContact CD2-CB 4.22Å; L577-H589 VanDerWaalsContact CD2-CD2 3.46Å; L577-H589 WeakPolarHBondContact CD2-CD2 3.42Å; D581-H589 PolarHBondContact O-CE1 2.9Å; F582-H589 HydrophobicContact CD2-CB 3.96Å; F582-H589 HydrophobicContact CE2-CB 3.6Å; F582-H589 WeakPolarHBondContact CE2-O 3.44Å; F582-H589 HydrophobicContact CZ-CB 3.87Å; M583-H589 PolarHBondContact N-ND1 2.99Å; M583-H589 VanDerWaalsContact N-ND1 3.19Å; N586-H589 HydrophobicContact CB-CB 4.02Å; N586-H589 PolarHBondContact ND2-CD2 3.42Å; N586-H589 PolarHBondContact ND2-CE1 3.21Å; N586-H589 VanDerWaalsContact ND2-CE1 3.33Å; N586-H589 PolarHBondContact ND2-ND1 3.4Å; N586-H589 PolarHBondContact ND2-NE2 3.44Å; N586-H589 VanDerWaalsContact ND2-NE2 3.12Å; N586-H589 WeakPolarHBondContact O-CB 3.45Å; N586-H589 PolarHBondContact O-N 2.96Å; P587-H589 PolarHBondContact O-N 3.24Å; H589-E591 VanDerWaalsContact C-N 3.28Å; H589-E591 PolarHBondContact O-N 3.45Å; H589-I592 WeakPolarHBondContact O-CB 3.15Å; H589-I592 PolarHBondContact O-N 3.27Å; H589-I592 VanDerWaalsContact O-N 3.17Å; H589-L593 PolarHBondContact O-N 2.88Å
590	L	61	Low	59.6	Low	48 Å²	48	84.1 Å²	84.1	25%	0.251	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-33.2	173	-72.6	174.2	0	0	0	113.1	A584 N586 P587 I592 L593 K594 A604	A584-L590 WeakPolarHBondContact O-CD1 3.29Å; A584-L590 WeakPolarHBondContact O-CD2 3.48Å; A584-L590 WeakPolarHBondContact O-CG 3.19Å; N586-L590 PolarHBondContact O-N 3.16Å; P587-L590 PolarHBondContact O-N 3.24Å; L590-I592 VanDerWaalsContact C-N 3.26Å; L590-I592 PolarHBondContact O-N 3.2Å; L590-L593 PolarHBondContact O-N 2.63Å; L590-K594 PolarHBondContact O-N 3.06Å; L590-A604 HydrophobicContact CD2-CB 4.36Å
591	E	59.8	Low	59.8	Low	108 Å²	108	78.5 Å²	78.5	51%	0.505	44%	0.444	S	S	.	.	H	α-helix	trans	-67.8	-26.8	177.4	-154.2	-165.4	142.3	0	0	112.6	P587 H589 K595	P587-E591 PolarHBondContact O-N 3.08Å; P587-E591 VanDerWaalsContact O-N 3.12Å; H589-E591 VanDerWaalsContact C-N 3.28Å; H589-E591 PolarHBondContact O-N 3.45Å; E591-K595 WeakPolarHBondContact O-CG 3.1Å; E591-K595 PolarHBondContact O-N 2.89Å; E591-K595 WeakPolarHBondContact OE1-CE 3.37Å; E591-K595 IonicContact OE1-NZ 3.33Å; E591-K595 PolarHBondContact OE1-NZ 2.95Å
592	I	64.8	Low	59.8	Low	71 Å²	71	80.7 Å²	80.7	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-71	-46	173.1	-61	167.5	0	0	0	110	L577 H589 L590 K594 K595 M596	L577-I592 HydrophobicContact CD2-CD1 4.2Å; H589-I592 WeakPolarHBondContact O-CB 3.15Å; H589-I592 PolarHBondContact O-N 3.27Å; H589-I592 VanDerWaalsContact O-N 3.17Å; L590-I592 VanDerWaalsContact C-N 3.26Å; L590-I592 PolarHBondContact O-N 3.2Å; I592-K594 VanDerWaalsContact C-N 3.32Å; I592-K594 PolarHBondContact O-N 3.01Å; I592-K595 WeakPolarHBondContact O-CB 3.38Å; I592-K595 PolarHBondContact O-N 2.94Å; I592-K595 VanDerWaalsContact O-N 3.08Å; I592-M596 HydrophobicContact CG2-CE 4.19Å; I592-M596 HydrophobicContact CG2-SD 4.21Å; I592-M596 PolarHBondContact O-N 2.99Å
593	L	57.3	Low	59.5	Low	40 Å²	40	82.6 Å²	82.6	21%	0.209	47%	0.466	C	S	.	.	H	α-helix	trans	-62.9	-35.7	176.5	-77.7	-175.7	0	0	0	113	F582 H589 L590 K595 M596 G597 A598 A604	F582-L593 HydrophobicContact CE1-CD1 3.93Å; F582-L593 HydrophobicContact CE2-CD1 4.08Å; F582-L593 HydrophobicContact CE2-CG 3.9Å; F582-L593 HydrophobicContact CZ-CD1 3.35Å; F582-L593 HydrophobicContact CZ-CG 3.67Å; H589-L593 PolarHBondContact O-N 2.88Å; L590-L593 PolarHBondContact O-N 2.63Å; L593-K595 VanDerWaalsContact C-N 3.28Å; L593-K595 PolarHBondContact O-N 3.4Å; L593-M596 CarbonylContact O-C 3.39Å; L593-M596 WeakPolarHBondContact O-CA 3.36Å; L593-M596 PolarHBondContact O-N 3.27Å; L593-G597 PolarHBondContact O-N 3.28Å; L593-G597 VanDerWaalsContact O-N 3.08Å; L593-A598 HydrophobicContact CB-CB 4.07Å; L593-A598 PolarHBondContact O-N 3.23Å; L593-A598 VanDerWaalsContact O-N 3.14Å; L593-A604 HydrophobicContact CD1-CB 3.52Å
594	K	55.3	Low	59.4	Low	148 Å²	148	77.8 Å²	77.8	64%	0.643	44%	0.443	S	S	*	.	H	α-helix	trans	-63.8	-31.7	173.1	-76	-176.6	174.9	-176.4	0	113.2	L590 I592 M596 G597	L590-K594 PolarHBondContact O-N 3.06Å; I592-K594 VanDerWaalsContact C-N 3.32Å; I592-K594 PolarHBondContact O-N 3.01Å; K594-M596 PolarHBondContact O-N 3.14Å; K594-G597 PolarHBondContact O-N 3.3Å
595	K	58.3	Low	59.7	Low	156 Å²	156	82 Å²	82	68%	0.678	46%	0.459	S	S	*	.	H	α-helix	trans	-74.9	-14	171.8	-71.3	165.8	-174.8	157.2	0	113	E591 I592 L593	E591-K595 WeakPolarHBondContact O-CG 3.1Å; E591-K595 PolarHBondContact O-N 2.89Å; E591-K595 WeakPolarHBondContact OE1-CE 3.37Å; E591-K595 IonicContact OE1-NZ 3.33Å; E591-K595 PolarHBondContact OE1-NZ 2.95Å; I592-K595 WeakPolarHBondContact O-CB 3.38Å; I592-K595 PolarHBondContact O-N 2.94Å; I592-K595 VanDerWaalsContact O-N 3.08Å; L593-K595 VanDerWaalsContact C-N 3.28Å; L593-K595 PolarHBondContact O-N 3.4Å
596	M	52.8	Low	59.8	Low	149 Å²	149	80.8 Å²	80.8	73%	0.734	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	4.7	175.6	-66.1	175.6	167	0	0	113.4	I592 L593 K594	I592-M596 HydrophobicContact CG2-CE 4.19Å; I592-M596 HydrophobicContact CG2-SD 4.21Å; I592-M596 PolarHBondContact O-N 2.99Å; L593-M596 CarbonylContact O-C 3.39Å; L593-M596 WeakPolarHBondContact O-CA 3.36Å; L593-M596 PolarHBondContact O-N 3.27Å; K594-M596 PolarHBondContact O-N 3.14Å
597	G	48.3	Very low	59.4	Low	66 Å²	66	80.1 Å²	80.1	68%	0.68	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.2	2.3	170.9	0	0	0	0	0	116.9	L593 K594 A599	L593-G597 PolarHBondContact O-N 3.28Å; L593-G597 VanDerWaalsContact O-N 3.08Å; K594-G597 PolarHBondContact O-N 3.3Å; G597-A599 PolarHBondContact O-N 2.72Å
598	A	54.5	Low	59	Low	30 Å²	30	77.5 Å²	77.5	25%	0.248	43%	0.433	C	S	.	.			trans	-70.2	125.8	174.7	0	0	0	0	0	111.1	L593	L593-A598 HydrophobicContact CB-CB 4.07Å; L593-A598 PolarHBondContact O-N 3.23Å; L593-A598 VanDerWaalsContact O-N 3.14Å
599	A	53.7	Low	58.8	Low	89 Å²	89	80.2 Å²	80.2	74%	0.736	44%	0.438	S	S	*	.			trans	-84.5	-37.7	-169	0	0	0	0	0	113.8	G597	G597-A599 PolarHBondContact O-N 2.72Å
600	S	61	Low	57.9	Low	49 Å²	49	85.1 Å²	85.1	34%	0.343	46%	0.46	S	S	.	.	S	Bend	trans	-130.6	172.2	-176.3	80	0	0	0	0	112.8	I602 D603	S600-I602 VanDerWaalsContact C-N 3.27Å; S600-I602 PolarHBondContact OG-N 3.32Å; S600-D603 WeakPolarHBondContact CA-OD2 3.48Å; S600-D603 VanDerWaalsContact CB-OD2 3.26Å; S600-D603 WeakPolarHBondContact CB-OD2 3.43Å; S600-D603 PolarHBondContact N-OD2 3.46Å; S600-D603 PolarHBondContact OG-N 3.21Å; S600-D603 PolarHBondContact OG-OD1 3.48Å; S600-D603 PolarHBondContact OG-OD2 3.19Å
601	S	55.4	Low	57.7	Low	75 Å²	75	87 Å²	87	52%	0.524	47%	0.468	S	S	.	.	H	α-helix	trans	-72.9	-18.1	172.5	53.7	0	0	0	0	113.5	E605	S601-E605 PolarHBondContact O-N 3.29Å
602	I	60	Low	57.6	Low	108 Å²	108	87.8 Å²	87.8	55%	0.554	47%	0.472	S	S	*	.	H	α-helix	trans	-79	-46.1	179.3	-67.8	168.1	0	0	0	109.3	S600 A604 E605 D606	S600-I602 VanDerWaalsContact C-N 3.27Å; S600-I602 PolarHBondContact OG-N 3.32Å; I602-A604 PolarHBondContact O-N 3.2Å; I602-A604 VanDerWaalsContact O-N 3.14Å; I602-E605 PolarHBondContact O-N 2.96Å; I602-D606 PolarHBondContact O-N 3.19Å
603	D	58.7	Low	57.1	Low	79 Å²	79	90 Å²	90	42%	0.422	48%	0.481	S	S	.	.	H	α-helix	trans	-57.1	-32.4	173.9	-39.5	-50.5	0	0	0	111.6	S600 G607	S600-D603 WeakPolarHBondContact CA-OD2 3.48Å; S600-D603 VanDerWaalsContact CB-OD2 3.26Å; S600-D603 WeakPolarHBondContact CB-OD2 3.43Å; S600-D603 PolarHBondContact N-OD2 3.46Å; S600-D603 PolarHBondContact OG-N 3.21Å; S600-D603 PolarHBondContact OG-OD1 3.48Å; S600-D603 PolarHBondContact OG-OD2 3.19Å; D603-G607 PolarHBondContact O-N 2.88Å
604	A	59.6	Low	56.6	Low	6 Å²	6	92.8 Å²	92.8	5%	0.05	49%	0.494	C	S	.	.	H	α-helix	trans	-72.7	-26.6	175.9	0	0	0	0	0	114.1	L590 L593 I602	L590-A604 HydrophobicContact CD2-CB 4.36Å; L593-A604 HydrophobicContact CD1-CB 3.52Å; I602-A604 PolarHBondContact O-N 3.2Å; I602-A604 VanDerWaalsContact O-N 3.14Å
605	E	61.8	Low	56.5	Low	107 Å²	107	91.2 Å²	91.2	50%	0.5	49%	0.491	S	S	.	.	H	α-helix	trans	-84.5	-39.7	174.3	-74.2	-174.8	168.6	0	0	111.5	A584 S601 I602 L608 R609	A584-E605 HydrophobicContact CB-CG 4.05Å; S601-E605 PolarHBondContact O-N 3.29Å; I602-E605 PolarHBondContact O-N 2.96Å; E605-L608 WeakPolarHBondContact O-CA 3.45Å; E605-L608 VanDerWaalsContact O-CB 3.25Å; E605-L608 WeakPolarHBondContact O-CB 3.32Å; E605-L608 PolarHBondContact O-N 2.92Å; E605-L608 VanDerWaalsContact O-N 3.11Å; E605-R609 PolarHBondContact O-N 2.97Å
606	D	61.9	Low	56.1	Low	90 Å²	90	89.5 Å²	89.5	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-68.1	-38.8	175.5	-75.4	-27.9	0	0	0	112	I602 L608 R609 F610	I602-D606 PolarHBondContact O-N 3.19Å; D606-L608 PolarHBondContact O-N 3.48Å; D606-R609 PolarHBondContact O-N 2.85Å; D606-F610 WeakPolarHBondContact O-CB 3.33Å; D606-F610 PolarHBondContact O-N 2.59Å
607	G	60.1	Low	55.8	Low	30 Å²	30	86.6 Å²	86.6	31%	0.309	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-29.3	169.2	0	0	0	0	0	113.3	D603 M611	D603-G607 PolarHBondContact O-N 2.88Å; G607-M611 WeakPolarHBondContact O-CE 3.42Å; G607-M611 WeakPolarHBondContact O-CG 3.41Å; G607-M611 PolarHBondContact O-N 3Å
608	L	57.7	Low	55.5	Low	44 Å²	44	86 Å²	86	23%	0.23	46%	0.458	C	S	.	.	H	α-helix	trans	-72.8	-42.3	174.7	-127.3	168.7	0	0	0	111.5	F582 A584 E605 D606 M611 Q612	F582-L608 HydrophobicContact CD1-CD1 4.02Å; F582-L608 HydrophobicContact CE1-CD1 4.46Å; A584-L608 HydrophobicContact CB-CD1 4.4Å; E605-L608 WeakPolarHBondContact O-CA 3.45Å; E605-L608 VanDerWaalsContact O-CB 3.25Å; E605-L608 WeakPolarHBondContact O-CB 3.32Å; E605-L608 PolarHBondContact O-N 2.92Å; E605-L608 VanDerWaalsContact O-N 3.11Å; D606-L608 PolarHBondContact O-N 3.48Å; L608-M611 PolarHBondContact O-N 3.37Å; L608-Q612 WeakPolarHBondContact O-CG 3.47Å; L608-Q612 PolarHBondContact O-N 2.84Å
609	R	59.5	Low	55.1	Low	167 Å²	167	86.9 Å²	86.9	63%	0.63	46%	0.463	S	S	*	.	H	α-helix	trans	-60.1	-48.6	172.6	-71.1	176.6	172.8	-136	-0.6	111.5	E605 D606 M611 Q612 E613	E605-R609 PolarHBondContact O-N 2.97Å; D606-R609 PolarHBondContact O-N 2.85Å; R609-M611 VanDerWaalsContact C-N 3.32Å; R609-M611 PolarHBondContact O-N 2.98Å; R609-Q612 WeakPolarHBondContact O-CA 3.34Å; R609-Q612 PolarHBondContact O-N 3.42Å; R609-E613 PolarHBondContact O-N 2.83Å
610	F	55.2	Low	54.7	Low	128 Å²	128	87.3 Å²	87.3	56%	0.561	45%	0.449	S	S	*	.	H	α-helix	trans	-57.9	-42.8	176.1	179.9	-104.1	0	0	0	112	D606 Q612 E613 M614	D606-F610 WeakPolarHBondContact O-CB 3.33Å; D606-F610 PolarHBondContact O-N 2.59Å; F610-Q612 PolarHBondContact O-N 2.68Å; F610-E613 PolarHBondContact O-N 2.77Å; F610-M614 HydrophobicContact CD1-CG 4.34Å; F610-M614 HydrophobicContact CD2-CG 4.44Å; F610-M614 HydrophobicContact CE1-CG 3.96Å; F610-M614 HydrophobicContact CE2-CG 4.06Å; F610-M614 HydrophobicContact CE2-SD 4.38Å; F610-M614 HydrophobicContact CZ-CG 3.81Å; F610-M614 HydrophobicContact CZ-SD 4.2Å; F610-M614 WeakPolarHBondContact O-CB 3.4Å; F610-M614 VanDerWaalsContact O-CG 3.28Å; F610-M614 WeakPolarHBondContact O-CG 3.24Å; F610-M614 PolarHBondContact O-N 2.68Å
611	M	55.8	Low	53.8	Low	87 Å²	87	91.4 Å²	91.4	43%	0.429	46%	0.463	S	S	.	.	H	α-helix	trans	-65	-35.1	173.6	-77.9	-173.5	-73.9	0	0	113.2	A579 G607 L608 R609 I615	A579-M611 HydrophobicContact CB-SD 4.45Å; G607-M611 WeakPolarHBondContact O-CE 3.42Å; G607-M611 WeakPolarHBondContact O-CG 3.41Å; G607-M611 PolarHBondContact O-N 3Å; L608-M611 PolarHBondContact O-N 3.37Å; R609-M611 VanDerWaalsContact C-N 3.32Å; R609-M611 PolarHBondContact O-N 2.98Å; M611-I615 WeakPolarHBondContact O-CB 3.43Å; M611-I615 WeakPolarHBondContact O-CD1 3.49Å; M611-I615 WeakPolarHBondContact O-CG1 3.46Å; M611-I615 PolarHBondContact O-N 3.31Å
612	Q	58.7	Low	53.2	Low	125 Å²	125	95 Å²	95	58%	0.584	47%	0.471	S	S	*	.	H	α-helix	trans	-69	-45.8	174.2	-73.6	-171.9	-97.8	0	0	112.1	L608 R609 F610 M614 I615 E616	L608-Q612 WeakPolarHBondContact O-CG 3.47Å; L608-Q612 PolarHBondContact O-N 2.84Å; R609-Q612 WeakPolarHBondContact O-CA 3.34Å; R609-Q612 PolarHBondContact O-N 3.42Å; F610-Q612 PolarHBondContact O-N 2.68Å; Q612-M614 VanDerWaalsContact C-N 3.34Å; Q612-M614 PolarHBondContact O-N 3.06Å; Q612-I615 PolarHBondContact O-N 3.4Å; Q612-E616 WeakPolarHBondContact O-CB 3.45Å; Q612-E616 PolarHBondContact O-N 2.75Å
613	E	53.8	Low	52.2	Low	118 Å²	118	97.8 Å²	97.8	55%	0.551	48%	0.479	S	S	*	.	H	α-helix	trans	-60.1	-42.6	175.2	-71.7	179.8	158.6	0	0	111.3	R609 F610 I615 E616 L617	R609-E613 PolarHBondContact O-N 2.83Å; F610-E613 PolarHBondContact O-N 2.77Å; E613-I615 PolarHBondContact O-N 2.74Å; E613-E616 PolarHBondContact O-N 2.72Å; E613-L617 VanDerWaalsContact O-CB 3.29Å; E613-L617 WeakPolarHBondContact O-CB 3.49Å; E613-L617 VanDerWaalsContact O-CG 3.25Å; E613-L617 WeakPolarHBondContact O-CG 3.42Å; E613-L617 PolarHBondContact O-N 3Å
614	M	46.8	Very low	51.4	Low	98 Å²	98	101.3 Å²	101.3	48%	0.483	49%	0.494	S	S	.	.	H	α-helix	trans	-65.4	-35.4	175.4	-74.2	-60.8	-58.3	0	0	113.2	F610 Q612 L617 S618	F610-M614 HydrophobicContact CD1-CG 4.34Å; F610-M614 HydrophobicContact CD2-CG 4.44Å; F610-M614 HydrophobicContact CE1-CG 3.96Å; F610-M614 HydrophobicContact CE2-CG 4.06Å; F610-M614 HydrophobicContact CE2-SD 4.38Å; F610-M614 HydrophobicContact CZ-CG 3.81Å; F610-M614 HydrophobicContact CZ-SD 4.2Å; F610-M614 WeakPolarHBondContact O-CB 3.4Å; F610-M614 VanDerWaalsContact O-CG 3.28Å; F610-M614 WeakPolarHBondContact O-CG 3.24Å; F610-M614 PolarHBondContact O-N 2.68Å; Q612-M614 VanDerWaalsContact C-N 3.34Å; Q612-M614 PolarHBondContact O-N 3.06Å; M614-L617 HydrophobicContact SD-CD1 4.41Å; M614-S618 WeakPolarHBondContact O-CB 3.43Å; M614-S618 PolarHBondContact O-N 3.12Å
615	I	53.8	Low	50.7	Low	114 Å²	114	109.5 Å²	109.5	59%	0.585	53%	0.531	S	S	*	.	H	α-helix	trans	-69.6	-39.4	173.1	-73.1	165.9	0	0	0	110.8	M611 Q612 E613 S618 S619	M611-I615 WeakPolarHBondContact O-CB 3.43Å; M611-I615 WeakPolarHBondContact O-CD1 3.49Å; M611-I615 WeakPolarHBondContact O-CG1 3.46Å; M611-I615 PolarHBondContact O-N 3.31Å; Q612-I615 PolarHBondContact O-N 3.4Å; E613-I615 PolarHBondContact O-N 2.74Å; I615-S618 PolarHBondContact O-N 3.3Å; I615-S619 WeakPolarHBondContact O-CB 3.33Å; I615-S619 PolarHBondContact O-N 2.95Å
616	E	49.1	Very low	50	Low	120 Å²	120	112.6 Å²	112.6	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-69.6	-46.4	180	-168.3	152.3	-145.1	0	0	111.2	Q612 E613 S618 S619 Q620	Q612-E616 WeakPolarHBondContact O-CB 3.45Å; Q612-E616 PolarHBondContact O-N 2.75Å; E613-E616 PolarHBondContact O-N 2.72Å; E616-S618 PolarHBondContact O-N 3.03Å; E616-S619 CarbonylContact O-C 3.58Å; E616-S619 PolarHBondContact O-N 3.48Å; E616-S619 VanDerWaalsContact O-N 3.14Å; E616-S619 PolarHBondContact O-OG 3.46Å; E616-Q620 WeakPolarHBondContact O-CG 3.41Å; E616-Q620 PolarHBondContact O-N 2.87Å
617	L	46.2	Very low	49.9	Very low	89 Å²	89	111.7 Å²	111.7	47%	0.466	54%	0.54	S	S	.	.	H	α-helix	trans	-57.9	-44.4	170.5	-74.2	166.2	0	0	0	112.2	E613 M614 S619 Q620 Q621	E613-L617 VanDerWaalsContact O-CB 3.29Å; E613-L617 WeakPolarHBondContact O-CB 3.49Å; E613-L617 VanDerWaalsContact O-CG 3.25Å; E613-L617 WeakPolarHBondContact O-CG 3.42Å; E613-L617 PolarHBondContact O-N 3Å; M614-L617 HydrophobicContact SD-CD1 4.41Å; L617-S619 VanDerWaalsContact C-N 3.3Å; L617-S619 PolarHBondContact O-N 3.24Å; L617-Q620 PolarHBondContact O-N 3.01Å; L617-Q620 VanDerWaalsContact O-N 3.14Å; L617-Q621 PolarHBondContact O-N 3.32Å
618	S	41.8	Very low	50.3	Low	54 Å²	54	113.5 Å²	113.5	38%	0.378	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-40.1	174.8	-178	0	0	0	0	111.7	M614 I615 E616 Q620 Q621 Q622	M614-S618 WeakPolarHBondContact O-CB 3.43Å; M614-S618 PolarHBondContact O-N 3.12Å; I615-S618 PolarHBondContact O-N 3.3Å; E616-S618 PolarHBondContact O-N 3.03Å; S618-Q620 VanDerWaalsContact C-N 3.28Å; S618-Q620 PolarHBondContact O-N 2.81Å; S618-Q621 PolarHBondContact O-N 2.61Å; S618-Q622 WeakPolarHBondContact O-CB 3.37Å; S618-Q622 WeakPolarHBondContact O-CG 3.36Å; S618-Q622 PolarHBondContact O-N 3.33Å
619	S	47.6	Very low	51.4	Low	48 Å²	48	114.7 Å²	114.7	34%	0.336	56%	0.556	S	S	.	*	H	α-helix	trans	-71.4	-20	176.5	84.9	0	0	0	0	114.2	I615 E616 L617 K623	I615-S619 WeakPolarHBondContact O-CB 3.33Å; I615-S619 PolarHBondContact O-N 2.95Å; E616-S619 CarbonylContact O-C 3.58Å; E616-S619 PolarHBondContact O-N 3.48Å; E616-S619 VanDerWaalsContact O-N 3.14Å; E616-S619 PolarHBondContact O-OG 3.46Å; L617-S619 VanDerWaalsContact C-N 3.3Å; L617-S619 PolarHBondContact O-N 3.24Å; S619-K623 WeakPolarHBondContact O-CD 3.46Å; S619-K623 WeakPolarHBondContact O-CG 3.4Å
620	Q	44.2	Very low	52.9	Low	97 Å²	97	108 Å²	108	45%	0.453	53%	0.531	S	S	.	.	H	α-helix	trans	-81.2	-51	171.9	-70.8	169.6	10.5	0	0	110.1	E616 L617 S618 Q622 K623 E624	E616-Q620 WeakPolarHBondContact O-CG 3.41Å; E616-Q620 PolarHBondContact O-N 2.87Å; L617-Q620 PolarHBondContact O-N 3.01Å; L617-Q620 VanDerWaalsContact O-N 3.14Å; S618-Q620 VanDerWaalsContact C-N 3.28Å; S618-Q620 PolarHBondContact O-N 2.81Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-Q622 PolarHBondContact O-N 3Å; Q620-K623 WeakPolarHBondContact O-CA 3.32Å; Q620-K623 WeakPolarHBondContact O-CB 3.31Å; Q620-K623 PolarHBondContact O-N 3.38Å; Q620-E624 PolarHBondContact O-N 2.92Å
621	Q	42.4	Very low	54.6	Low	135 Å²	135	102 Å²	102	63%	0.631	51%	0.506	S	S	*	.	H	α-helix	trans	-55.8	-41.9	175.9	-73.7	-175.4	-30.5	0	0	112.8	L617 S618 K623 E624 Q625	L617-Q621 PolarHBondContact O-N 3.32Å; S618-Q621 PolarHBondContact O-N 2.61Å; Q621-K623 PolarHBondContact O-N 3.15Å; Q621-E624 PolarHBondContact O-N 3.22Å; Q621-Q625 PolarHBondContact O-N 2.85Å
622	Q	43.5	Very low	56.4	Low	151 Å²	151	97.9 Å²	97.9	71%	0.706	49%	0.486	S	S	*	.	H	α-helix	trans	-67.3	-16.6	176.2	-75.3	-170.9	-14.4	0	0	114.5	S618 Q620	S618-Q622 WeakPolarHBondContact O-CB 3.37Å; S618-Q622 WeakPolarHBondContact O-CG 3.36Å; S618-Q622 PolarHBondContact O-N 3.33Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-Q622 PolarHBondContact O-N 3Å
623	K	38.6	Very low	58	Low	166 Å²	166	92.1 Å²	92.1	72%	0.722	46%	0.458	S	S	*	.	H	α-helix	trans	-91.1	-23.7	174.6	-75.6	174	-178.2	167.6	0	113.4	S619 Q620 Q621	S619-K623 WeakPolarHBondContact O-CD 3.46Å; S619-K623 WeakPolarHBondContact O-CG 3.4Å; Q620-K623 WeakPolarHBondContact O-CA 3.32Å; Q620-K623 WeakPolarHBondContact O-CB 3.31Å; Q620-K623 PolarHBondContact O-N 3.38Å; Q621-K623 PolarHBondContact O-N 3.15Å
624	E	40.9	Very low	59.9	Low	154 Å²	154	86.5 Å²	86.5	72%	0.72	43%	0.432	S	S	*	.	H	α-helix	trans	-87.3	-19.5	-178.9	-66.7	-176.8	145.5	0	0	113.2	Q620 Q621	Q620-E624 PolarHBondContact O-N 2.92Å; Q621-E624 PolarHBondContact O-N 3.22Å
625	Q	45.8	Very low	62	Low	177 Å²	177	82.6 Å²	82.6	83%	0.827	41%	0.413	S	S	*	.	S	Bend	trans	-87.5	5.3	179.8	-85.5	-173.5	-17.7	0	0	116.3	Q621	Q621-Q625 PolarHBondContact O-N 2.85Å
626	Q	47.6	Very low	63.6	Low	172 Å²	172	78 Å²	78	80%	0.804	39%	0.391	S	S	*	.	S	Bend	trans	-109	90.2	162.4	-76.8	-167.7	-22.8	0	0	110.1
627	L	58.5	Low	65.1	Low	71 Å²	71	78.4 Å²	78.4	37%	0.372	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-56.2	128.9	170.4	-69.5	165.9	0	0	0	109.5	Q731	L627-Q731 HydrophobicContact CD1-CB 3.84Å
628	P	67.9	Low	66.8	Low	68 Å²	68	76.5 Å²	76.5	44%	0.442	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-65.6	130.5	180	25.7	-33	0	0	0	110.1
629	P	81.8	Confident	68.9	Low	69 Å²	69	75.8 Å²	75.8	45%	0.448	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.1	147.8	176.3	25.1	-34.2	0	0	0	110.7	T646 L729 D773	P629-T646 HydrophobicContact CB-CG2 3.76Å; P629-L729 HydrophobicContact CB-CD1 3.65Å; P629-D773 VanDerWaalsContact O-O 3.11Å
630	R	90.1	Very high	70.6	Confident	26 Å²	26	76.9 Å²	76.9	10%	0.098	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	165.8	168.1	-61.8	-70.5	173.3	-116.4	11.9	109.7	A647 P649 L747 D773	R630-A647 HydrophobicContact CB-CB 4.08Å; R630-A647 PolarHBondContact N-O 2.63Å; R630-A647 PolarHBondContact O-N 3.35Å; R630-P649 HydrophobicContact CG-CB 3.82Å; R630-P649 HydrophobicContact CG-CG 4.26Å; R630-L747 HydrophobicContact CB-CD1 4.21Å; R630-L747 HydrophobicContact CB-CD2 3.51Å; R630-L747 HydrophobicContact CG-CD2 3.6Å; R630-D773 IonicContact CZ-OD1 3.31Å; R630-D773 VanDerWaalsContact CZ-OD1 3.24Å; R630-D773 IonicContact NH1-OD1 3.93Å; R630-D773 PolarHBondContact NH1-OD1 3.33Å; R630-D773 IonicContact NH2-OD1 3.11Å; R630-D773 PolarHBondContact NH2-OD1 2.95Å
631	A	91.2	Very high	72.5	Confident	4 Å²	4	72.5 Å²	72.5	3%	0.033	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.7	176.7	0	0	0	0	0	111.5	V644 S772 A775	A631-V644 HydrophobicContact CB-CG1 4.4Å; A631-S772 PolarHBondContact N-O 3.32Å; A631-S772 VanDerWaalsContact N-O 3.15Å; A631-S772 PolarHBondContact O-N 2.87Å; A631-S772 VanDerWaalsContact O-N 3.13Å; A631-A775 HydrophobicContact CB-CB 4.11Å
632	V	94.3	Very high	74.4	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.9	158	-179.6	0	0	0	0	107.1	L645 A647 I714 L747 L749 I757 V769 L770 L771	V632-L645 HydrophobicContact CB-CB 4.32Å; V632-L645 PolarHBondContact N-O 3.06Å; V632-L645 PolarHBondContact O-N 3.3Å; V632-A647 HydrophobicContact CG2-CB 4.11Å; V632-I714 HydrophobicContact CG1-CD1 3.89Å; V632-I714 HydrophobicContact CG2-CD1 4.25Å; V632-L747 HydrophobicContact CG2-CD1 3.72Å; V632-L749 HydrophobicContact CG2-CD2 4.41Å; V632-I757 HydrophobicContact CG1-CD1 4Å; V632-V769 HydrophobicContact CG1-CB 4.01Å; V632-V769 HydrophobicContact CG1-CG1 4.21Å; V632-V769 HydrophobicContact CG1-CG2 4.35Å; V632-L770 WeakPolarHBondContact CA-O 3.46Å; V632-L771 HydrophobicContact CB-CD2 4.5Å; V632-L771 HydrophobicContact CG1-CD2 4.12Å; V632-L771 HydrophobicContact CG2-CD2 3.87Å
633	Q	93.1	Very high	76.5	Confident	3 Å²	3	68 Å²	68	1%	0.014	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.7	176.8	-67.1	-179.5	-87.9	0	0	110.9	I635 G641 V643 V644 V769 L770 R776	Q633-I635 HydrophobicContact CB-CG2 4.32Å; Q633-I635 PolarHBondContact O-N 3.24Å; Q633-G641 PolarHBondContact NE2-O 2.71Å; Q633-V643 WeakPolarHBondContact CA-O 3.49Å; Q633-V644 HydrophobicContact CG-CB 4.44Å; Q633-V644 HydrophobicContact CG-CG1 4.23Å; Q633-V644 HydrophobicContact CG-CG2 4.11Å; Q633-V769 CarbonylContact O-C 3.55Å; Q633-V769 WeakPolarHBondContact O-CA 3.49Å; Q633-V769 WeakPolarHBondContact O-CB 3.5Å; Q633-L770 HydrophobicContact CB-CB 4.41Å; Q633-L770 PolarHBondContact N-O 3.03Å; Q633-L770 PolarHBondContact O-N 3.28Å; Q633-R776 PolarHBondContact NE2-O 2.74Å; Q633-R776 VanDerWaalsContact NE2-O 3.07Å
634	I	92.4	Very high	79.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	115.2	172	-46.7	-179.2	0	0	0	108.7	F639 G641 V643 I756 I757 A760 V767 V769	I634-F639 HydrophobicContact CB-CB 4Å; I634-F639 HydrophobicContact CB-CD2 4.14Å; I634-F639 HydrophobicContact CB-CG 4.18Å; I634-F639 HydrophobicContact CG2-CB 4.01Å; I634-F639 HydrophobicContact CG2-CD2 3.46Å; I634-F639 VanDerWaalsContact CG2-CD2 3.46Å; I634-F639 HydrophobicContact CG2-CE2 4.22Å; I634-F639 HydrophobicContact CG2-CG 3.98Å; I634-F639 WeakPolarHBondContact O-CB 3.49Å; I634-G641 VanDerWaalsContact O-CA 3.32Å; I634-G641 WeakPolarHBondContact O-CA 3.48Å; I634-G641 PolarHBondContact O-N 2.84Å; I634-V643 HydrophobicContact CB-CB 4.3Å; I634-V643 HydrophobicContact CD1-CB 4.26Å; I634-V643 HydrophobicContact CD1-CG1 3.82Å; I634-V643 HydrophobicContact CG1-CB 4.22Å; I634-V643 HydrophobicContact CG1-CG1 3.97Å; I634-V643 PolarHBondContact N-O 2.75Å; I634-V643 VanDerWaalsContact N-O 3.16Å; I634-I756 HydrophobicContact CD1-CG2 4.31Å; I634-I757 HydrophobicContact CD1-CG1 4.41Å; I634-A760 HydrophobicContact CD1-CB 4.23Å; I634-V767 HydrophobicContact CG2-CG1 3.81Å; I634-V769 HydrophobicContact CG1-CG1 4.19Å
635	I	91.3	Very high	81.6	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.087	28%	0.284	C	S	.	.			trans	-106.1	-17.9	-171.5	61.7	170.3	0	0	0	113.9	Q633 F640 R663 E768 L770 I781	Q633-I635 HydrophobicContact CB-CG2 4.32Å; Q633-I635 PolarHBondContact O-N 3.24Å; I635-F640 WeakPolarHBondContact O-CA 3.29Å; I635-R663 HydrophobicContact CD1-CG 3.84Å; I635-E768 HydrophobicContact CD1-CG 4.01Å; I635-E768 WeakPolarHBondContact CD1-OE2 3.47Å; I635-E768 HydrophobicContact CG1-CB 4.02Å; I635-E768 HydrophobicContact CG1-CG 3.96Å; I635-E768 WeakPolarHBondContact CG1-O 3.19Å; I635-E768 PolarHBondContact N-O 2.85Å; I635-L770 HydrophobicContact CG2-CB 4.08Å; I635-I781 HydrophobicContact CB-CG2 4.21Å; I635-I781 HydrophobicContact CG2-CD1 4.21Å; I635-I781 HydrophobicContact CG2-CG2 3.89Å
636	S	88.3	Confident	83.8	Confident	16 Å²	16	50.7 Å²	50.7	11%	0.112	26%	0.26	C	S	.	.	S	Bend	trans	-64.6	166.2	172.6	58.7	0	0	0	0	112.8	F639 F640 E768	S636-F639 PolarHBondContact O-N 2.83Å; S636-F640 PolarHBondContact O-N 2.83Å; S636-E768 PolarHBondContact N-O 2.85Å; S636-E768 PolarHBondContact OG-N 3.25Å
637	H	80.6	Confident	86	Confident	130 Å²	130	42.5 Å²	42.5	60%	0.602	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	141.4	170.6	177.3	-77.8	0	0	0	110.5	F640	H637-F640 HydrophobicContact CB-CE1 4.44Å; H637-F640 HydrophobicContact CB-CE2 4.2Å; H637-F640 HydrophobicContact CB-CZ 3.84Å; H637-F640 AromaticContact CD2-CE2 3.66Å; H637-F640 AromaticContact CD2-CZ 3.69Å
638	P	81.6	Confident	87.5	Confident	48 Å²	48	39.1 Å²	39.1	31%	0.312	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.2	2	-1.8	36.4	-37.4	0	0	0	113.6	F640 H764	P638-F640 VanDerWaalsContact O-CD2 3.26Å; P638-F640 WeakPolarHBondContact O-CD2 3.24Å; P638-H764 VanDerWaalsContact CD-CD2 3.42Å; P638-H764 WeakPolarHBondContact CD-CD2 3.4Å; P638-H764 WeakPolarHBondContact CD-NE2 3.4Å
639	F	85.4	Confident	88.6	Confident	40 Å²	40	36.3 Å²	36.3	18%	0.175	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-42.1	-166.4	-56.5	-69.4	0	0	0	113.4	I634 S636 G641 R642 V643 A760 H764	I634-F639 HydrophobicContact CB-CB 4Å; I634-F639 HydrophobicContact CB-CD2 4.14Å; I634-F639 HydrophobicContact CB-CG 4.18Å; I634-F639 HydrophobicContact CG2-CB 4.01Å; I634-F639 HydrophobicContact CG2-CD2 3.46Å; I634-F639 VanDerWaalsContact CG2-CD2 3.46Å; I634-F639 HydrophobicContact CG2-CE2 4.22Å; I634-F639 HydrophobicContact CG2-CG 3.98Å; I634-F639 WeakPolarHBondContact O-CB 3.49Å; S636-F639 PolarHBondContact O-N 2.83Å; F639-G641 VanDerWaalsContact C-N 3.27Å; F639-G641 PolarHBondContact O-N 3.02Å; F639-G641 VanDerWaalsContact O-N 3.16Å; F639-R642 WeakPolarHBondContact O-CB 3.4Å; F639-R642 WeakPolarHBondContact O-CG 3.21Å; F639-R642 PolarHBondContact O-N 3.18Å; F639-V643 HydrophobicContact CB-CG2 4.37Å; F639-V643 HydrophobicContact CD1-CB 4.4Å; F639-V643 HydrophobicContact CD1-CG2 3.45Å; F639-V643 VanDerWaalsContact CD1-CG2 3.45Å; F639-V643 HydrophobicContact CE1-CG2 4.05Å; F639-V643 HydrophobicContact CG-CG2 4.16Å; F639-A760 HydrophobicContact CE2-CB 3.72Å; F639-A760 HydrophobicContact CZ-CB 4Å; F639-H764 AromaticContact CE2-CD2 3.79Å
640	F	83.9	Confident	89	Confident	70 Å²	70	33.8 Å²	33.8	31%	0.307	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	45.2	175	-61	-69.8	0	0	0	114.2	I635 S636 H637 P638 R642 L782	I635-F640 WeakPolarHBondContact O-CA 3.29Å; S636-F640 PolarHBondContact O-N 2.83Å; H637-F640 HydrophobicContact CB-CE1 4.44Å; H637-F640 HydrophobicContact CB-CE2 4.2Å; H637-F640 HydrophobicContact CB-CZ 3.84Å; H637-F640 AromaticContact CD2-CE2 3.66Å; H637-F640 AromaticContact CD2-CZ 3.69Å; P638-F640 VanDerWaalsContact O-CD2 3.26Å; P638-F640 WeakPolarHBondContact O-CD2 3.24Å; F640-R642 VanDerWaalsContact C-N 3.28Å; F640-R642 PolarHBondContact O-N 3.38Å; F640-L782 HydrophobicContact CB-CD2 4.46Å; F640-L782 HydrophobicContact CD1-CD2 4.07Å
641	G	82.2	Confident	88.9	Confident	5 Å²	5	38.3 Å²	38.3	5%	0.052	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	4.4	179.6	0	0	0	0	0	115.5	Q633 I634 F639	Q633-G641 PolarHBondContact NE2-O 2.71Å; I634-G641 VanDerWaalsContact O-CA 3.32Å; I634-G641 WeakPolarHBondContact O-CA 3.48Å; I634-G641 PolarHBondContact O-N 2.84Å; F639-G641 VanDerWaalsContact C-N 3.27Å; F639-G641 PolarHBondContact O-N 3.02Å; F639-G641 VanDerWaalsContact O-N 3.16Å
642	R	83.2	Confident	88.8	Confident	160 Å²	160	38.7 Å²	38.7	60%	0.604	19%	0.194	S	C	*	.			trans	-71.4	-33	176.4	-63.5	174.7	-158.3	-158.9	10.1	113.1	F639 F640	F639-R642 WeakPolarHBondContact O-CB 3.4Å; F639-R642 WeakPolarHBondContact O-CG 3.21Å; F639-R642 PolarHBondContact O-N 3.18Å; F640-R642 VanDerWaalsContact C-N 3.28Å; F640-R642 PolarHBondContact O-N 3.38Å
643	V	88.8	Confident	88.5	Confident	33 Å²	33	39.9 Å²	39.9	20%	0.2	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.1	175.1	173.9	0	0	0	0	107.6	Q633 I634 F639 L645 I756	Q633-V643 WeakPolarHBondContact CA-O 3.49Å; I634-V643 HydrophobicContact CB-CB 4.3Å; I634-V643 HydrophobicContact CD1-CB 4.26Å; I634-V643 HydrophobicContact CD1-CG1 3.82Å; I634-V643 HydrophobicContact CG1-CB 4.22Å; I634-V643 HydrophobicContact CG1-CG1 3.97Å; I634-V643 PolarHBondContact N-O 2.75Å; I634-V643 VanDerWaalsContact N-O 3.16Å; F639-V643 HydrophobicContact CB-CG2 4.37Å; F639-V643 HydrophobicContact CD1-CB 4.4Å; F639-V643 HydrophobicContact CD1-CG2 3.45Å; F639-V643 VanDerWaalsContact CD1-CG2 3.45Å; F639-V643 HydrophobicContact CE1-CG2 4.05Å; F639-V643 HydrophobicContact CG-CG2 4.16Å; V643-L645 HydrophobicContact CG1-CD1 4.42Å; V643-L645 HydrophobicContact CG1-CD2 3.96Å; V643-L645 HydrophobicContact CG1-CG 4Å; V643-I756 HydrophobicContact CG1-CG2 3.91Å
644	V	92.3	Very high	88.3	Confident	71 Å²	71	42.4 Å²	42.4	43%	0.43	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.4	177.1	-174	0	0	0	0	106.8	A631 Q633 A775	A631-V644 HydrophobicContact CB-CG1 4.4Å; Q633-V644 HydrophobicContact CG-CB 4.44Å; Q633-V644 HydrophobicContact CG-CG1 4.23Å; Q633-V644 HydrophobicContact CG-CG2 4.11Å; V644-A775 HydrophobicContact CG1-CB 3.54Å; V644-A775 HydrophobicContact CG2-CB 4.26Å
645	L	93.3	Very high	87.8	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.2	-178.5	-56.7	171.8	0	0	0	108.9	V632 V643 A647 L749 E753 I756 I757	V632-L645 HydrophobicContact CB-CB 4.32Å; V632-L645 PolarHBondContact N-O 3.06Å; V632-L645 PolarHBondContact O-N 3.3Å; V643-L645 HydrophobicContact CG1-CD1 4.42Å; V643-L645 HydrophobicContact CG1-CD2 3.96Å; V643-L645 HydrophobicContact CG1-CG 4Å; L645-A647 PolarHBondContact O-N 3.36Å; L645-L749 HydrophobicContact CB-CD2 4.03Å; L645-L749 HydrophobicContact CD1-CD1 4.19Å; L645-E753 HydrophobicContact CB-CB 4.47Å; L645-E753 WeakPolarHBondContact CD1-O 3.36Å; L645-E753 HydrophobicContact CD2-CB 4.24Å; L645-E753 HydrophobicContact CD2-CG 4.47Å; L645-I756 HydrophobicContact CD2-CB 4.25Å; L645-I756 HydrophobicContact CD2-CD1 3.74Å; L645-I756 HydrophobicContact CD2-CG2 4.3Å; L645-I757 HydrophobicContact CD1-CD1 3.73Å; L645-I757 HydrophobicContact CD1-CG1 3.45Å; L645-I757 VanDerWaalsContact CD1-CG1 3.45Å
646	T	92.8	Very high	87.5	Confident	54 Å²	54	44.5 Å²	44.5	33%	0.331	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.6	179.2	-46.4	0	0	0	0	109.6	P629 S724 L729 L749	P629-T646 HydrophobicContact CB-CG2 3.76Å; T646-S724 WeakPolarHBondContact CB-OG 3.49Å; T646-L729 HydrophobicContact CG2-CD1 3.69Å; T646-L729 HydrophobicContact CG2-CD2 4.25Å; T646-L749 WeakPolarHBondContact O-CD2 3.48Å
647	A	92.5	Very high	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.6	-174.1	0	0	0	0	0	113.5	R630 V632 L645 L747 F748 L749	R630-A647 HydrophobicContact CB-CB 4.08Å; R630-A647 PolarHBondContact N-O 2.63Å; R630-A647 PolarHBondContact O-N 3.35Å; V632-A647 HydrophobicContact CG2-CB 4.11Å; L645-A647 PolarHBondContact O-N 3.36Å; A647-L747 HydrophobicContact CB-CB 4.19Å; A647-L747 HydrophobicContact CB-CD1 4.19Å; A647-L747 HydrophobicContact CB-CD2 4.49Å; A647-F748 CarbonylContact C-O 3.58Å; A647-F748 WeakPolarHBondContact CA-O 3.21Å; A647-F748 WeakPolarHBondContact CB-O 3.22Å; A647-L749 HydrophobicContact CB-CD2 3.8Å
648	G	90.9	Very high	86.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136	168.3	0	0	0	0	0	111	F748	G648-F748 PolarHBondContact N-O 2.93Å; G648-F748 PolarHBondContact O-N 3.12Å
649	P	90.6	Very high	86	Confident	9 Å²	9	51 Å²	51	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	166.9	174	18	-15.9	0	0	0	112.8	R630 Q731 M732	R630-P649 HydrophobicContact CG-CB 3.82Å; R630-P649 HydrophobicContact CG-CG 4.26Å; P649-Q731 HydrophobicContact CB-CG 4.11Å; P649-Q731 HydrophobicContact CG-CG 3.99Å; P649-Q731 CarbonylContact O-C 3.44Å; P649-Q731 VanDerWaalsContact O-CA 3.24Å; P649-Q731 WeakPolarHBondContact O-CA 3.42Å; P649-Q731 WeakPolarHBondContact O-CG 3.47Å; P649-M732 PolarHBondContact O-N 3.13Å
650	A	89.9	Confident	85.1	Confident	17 Å²	17	58.3 Å²	58.3	14%	0.14	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-98	159.6	162.8	0	0	0	0	0	111.6	F652 Q731 M732 M746	A650-F652 HydrophobicContact CB-CD1 4.33Å; A650-F652 HydrophobicContact CB-CD2 4.47Å; A650-F652 HydrophobicContact CB-CE1 4.13Å; A650-F652 HydrophobicContact CB-CE2 4.29Å; A650-F652 HydrophobicContact CB-CG 4.49Å; A650-F652 HydrophobicContact CB-CZ 4.11Å; A650-F652 WeakPolarHBondContact CB-O 3.43Å; A650-Q731 PolarHBondContact O-NE2 3.34Å; A650-M732 HydrophobicContact CB-CB 4.3Å; A650-M732 HydrophobicContact CB-CE 4.08Å; A650-M746 HydrophobicContact CB-CB 3.83Å; A650-M746 WeakPolarHBondContact CB-O 3.39Å; A650-M746 PolarHBondContact N-O 2.74Å
651	Q	88.4	Confident	85.1	Confident	121 Å²	121	58.3 Å²	58.3	57%	0.565	29%	0.293	S	S	*	.	S	Bend	trans	-86.6	-10.7	169.4	-71.3	-176.7	-17	0	0	113	Q731 M732	Q651-Q731 HydrophobicContact CG-CB 4.15Å; Q651-Q731 HydrophobicContact CG-CG 3.64Å; Q651-M732 PolarHBondContact N-O 2.99Å
652	F	89.4	Confident	85.5	Confident	12 Å²	12	59.1 Å²	59.1	5%	0.053	30%	0.297	C	S	.	.	S	Bend	trans	-131.8	167.5	-173.5	56.2	-90.6	0	0	0	109.8	A650 F698 A699 A702 M732 A733 T739 I742 M746	A650-F652 HydrophobicContact CB-CD1 4.33Å; A650-F652 HydrophobicContact CB-CD2 4.47Å; A650-F652 HydrophobicContact CB-CE1 4.13Å; A650-F652 HydrophobicContact CB-CE2 4.29Å; A650-F652 HydrophobicContact CB-CG 4.49Å; A650-F652 HydrophobicContact CB-CZ 4.11Å; A650-F652 WeakPolarHBondContact CB-O 3.43Å; F652-F698 HydrophobicContact CE1-CB 4.11Å; F652-F698 HydrophobicContact CZ-CB 3.73Å; F652-A699 HydrophobicContact CD1-CB 4.33Å; F652-A699 HydrophobicContact CD2-CB 4.32Å; F652-A699 HydrophobicContact CE1-CB 4.29Å; F652-A699 HydrophobicContact CE2-CB 4.26Å; F652-A699 HydrophobicContact CG-CB 4.37Å; F652-A699 HydrophobicContact CZ-CB 4.26Å; F652-A702 HydrophobicContact CD2-CB 4.47Å; F652-A702 HydrophobicContact CE2-CB 3.8Å; F652-M732 HydrophobicContact CE1-CB 4.03Å; F652-M732 VanDerWaalsContact CE1-O 3.31Å; F652-M732 WeakPolarHBondContact CE1-O 3.38Å; F652-M732 HydrophobicContact CZ-CB 4.22Å; F652-A733 VanDerWaalsContact CE1-O 3.32Å; F652-A733 WeakPolarHBondContact CE1-O 3.38Å; F652-T739 HydrophobicContact CB-CG2 4.06Å; F652-I742 HydrophobicContact CB-CD1 4.4Å; F652-I742 HydrophobicContact CD2-CB 4.49Å; F652-I742 HydrophobicContact CD2-CD1 3.53Å; F652-I742 HydrophobicContact CD2-CG2 4.18Å; F652-I742 HydrophobicContact CE2-CD1 4.14Å; F652-I742 HydrophobicContact CG-CD1 4.17Å; F652-M746 HydrophobicContact CE2-CB 4.16Å; F652-M746 HydrophobicContact CE2-CG 3.94Å
653	G	87.8	Confident	85.9	Confident	25 Å²	25	56.4 Å²	56.4	26%	0.258	29%	0.286	S	S	.	.	S	Bend	trans	82.3	-164.6	-176.8	0	0	0	0	0	113.8	D655 I742 I744	G653-D655 PolarHBondContact O-N 3.1Å; G653-I742 WeakPolarHBondContact CA-O 3.36Å; G653-I744 CarbonylContact C-O 3.57Å; G653-I744 WeakPolarHBondContact CA-O 3.17Å
654	L	87.9	Confident	86.1	Confident	56 Å²	56	55.1 Å²	55.1	29%	0.293	28%	0.28	S	S	.	.			trans	-72.2	116.6	-175.2	-161	78.4	0	0	0	111.6	L656 H659 I744 P745	L654-L656 PolarHBondContact O-N 3.1Å; L654-H659 HydrophobicContact CD2-CB 4.45Å; L654-H659 HydrophobicContact CG-CB 4.37Å; L654-I744 PolarHBondContact N-O 2.92Å; L654-P745 HydrophobicContact CB-CB 3.99Å; L654-P745 HydrophobicContact CB-CG 4.44Å; L654-P745 HydrophobicContact CD2-CG 4.46Å
655	D	83.3	Confident	86.2	Confident	49 Å²	49	55.6 Å²	55.6	26%	0.262	28%	0.276	S	S	.	.			trans	-74.3	98.2	177.3	-174.6	-4.2	0	0	0	111.9	G653 S657 K658 H659	G653-D655 PolarHBondContact O-N 3.1Å; D655-S657 VanDerWaalsContact CG-OG 3.25Å; D655-S657 PolarHBondContact O-N 3.48Å; D655-S657 WeakPolarHBondContact OD1-CB 3.08Å; D655-S657 PolarHBondContact OD1-N 2.89Å; D655-S657 PolarHBondContact OD1-OG 2.91Å; D655-S657 PolarHBondContact OD2-OG 2.86Å; D655-K658 HydrophobicContact CB-CB 4.49Å; D655-K658 HydrophobicContact CB-CG 4.5Å; D655-K658 PolarHBondContact O-N 3.1Å; D655-K658 WeakPolarHBondContact OD2-CG 3.32Å; D655-K658 IonicContact OD2-NZ 2.83Å; D655-K658 PolarHBondContact OD2-NZ 2.67Å; D655-H659 PolarHBondContact O-N 2.82Å; D655-H659 VanDerWaalsContact O-N 3.12Å
656	L	84.3	Confident	86.3	Confident	12 Å²	12	56 Å²	56	6%	0.063	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.2	176.2	-65.9	172.7	0	0	0	114.6	L654 P745 L747 L771	L654-L656 PolarHBondContact O-N 3.1Å; L656-P745 HydrophobicContact CD1-CB 4.11Å; L656-P745 HydrophobicContact CD2-CB 3.9Å; L656-P745 HydrophobicContact CD2-CG 4.49Å; L656-P745 HydrophobicContact CG-CB 3.97Å; L656-L747 HydrophobicContact CD1-CD1 4.07Å; L656-L747 HydrophobicContact CD1-CD2 4.18Å; L656-L747 HydrophobicContact CD1-CG 4.21Å; L656-L771 HydrophobicContact CD1-CB 3.98Å
657	S	77.2	Confident	86.4	Confident	63 Å²	63	54.1 Å²	54.1	44%	0.441	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-15.1	171.3	71.7	0	0	0	0	114.1	D655 D773	D655-S657 VanDerWaalsContact CG-OG 3.25Å; D655-S657 PolarHBondContact O-N 3.48Å; D655-S657 WeakPolarHBondContact OD1-CB 3.08Å; D655-S657 PolarHBondContact OD1-N 2.89Å; D655-S657 PolarHBondContact OD1-OG 2.91Å; D655-S657 PolarHBondContact OD2-OG 2.86Å; S657-D773 WeakPolarHBondContact CB-OD1 3.37Å
658	K	73.8	Confident	86.4	Confident	155 Å²	155	56.3 Å²	56.3	67%	0.674	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-16	178.9	-61.8	-172.4	-175.7	86	0	113.5	D655	D655-K658 HydrophobicContact CB-CB 4.49Å; D655-K658 HydrophobicContact CB-CG 4.5Å; D655-K658 PolarHBondContact O-N 3.1Å; D655-K658 WeakPolarHBondContact OD2-CG 3.32Å; D655-K658 IonicContact OD2-NZ 2.83Å; D655-K658 PolarHBondContact OD2-NZ 2.67Å
659	H	67.9	Low	86.5	Confident	111 Å²	111	56.4 Å²	56.4	51%	0.514	29%	0.285	S	S	.	.	S	Bend	trans	-127.4	167.7	-172.3	-64.7	-24.6	0	0	0	112.1	L654 D655	L654-H659 HydrophobicContact CD2-CB 4.45Å; L654-H659 HydrophobicContact CG-CB 4.37Å; D655-H659 PolarHBondContact O-N 2.82Å; D655-H659 VanDerWaalsContact O-N 3.12Å
660	K	66.4	Low	86.5	Confident	195 Å²	195	62.2 Å²	62.2	85%	0.848	31%	0.309	S	S	*	.			trans	-63.9	150.9	-179.6	-93.7	-169.4	169.9	-167.9	0	111.6
661	E	84.6	Confident	86.6	Confident	70 Å²	70	63.2 Å²	63.2	33%	0.327	31%	0.314	S	S	.	.			trans	-52.3	142.9	172.1	-49	175.3	140.2	0	0	110.9	L770 L771 R776	E661-L770 HydrophobicContact CB-CD1 3.72Å; E661-L770 HydrophobicContact CB-CG 4.28Å; E661-L771 WeakPolarHBondContact CA-O 3.46Å; E661-R776 VanDerWaalsContact OE1-CD 3.29Å; E661-R776 WeakPolarHBondContact OE1-CD 3.29Å; E661-R776 WeakPolarHBondContact OE2-CD 3.28Å; E661-R776 IonicContact OE2-CZ 3.86Å; E661-R776 IonicContact OE2-NE 3.21Å; E661-R776 IonicContact OE2-NH1 3.39Å; E661-R776 PolarHBondContact OE2-NH1 2.99Å
662	T	89.8	Confident	86.8	Confident	21 Å²	21	60.6 Å²	60.6	13%	0.129	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.6	179.2	-62.3	0	0	0	0	109.9	P745 L771	T662-P745 HydrophobicContact CG2-CG 3.88Å; T662-L771 PolarHBondContact N-O 3.38Å; T662-L771 PolarHBondContact O-N 2.94Å
663	R	92.5	Very high	86.8	Confident	103 Å²	103	63 Å²	63	39%	0.389	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.9	-178.1	177	177.5	178.1	-173.6	2.6	109.4	I635 I711 E768 V769 L770	I635-R663 HydrophobicContact CD1-CG 3.84Å; R663-I711 WeakPolarHBondContact O-CD1 3.21Å; R663-E768 WeakPolarHBondContact CG-OE1 3.46Å; R663-E768 IonicContact CZ-OE1 3.77Å; R663-E768 IonicContact CZ-OE2 2.75Å; R663-E768 VanDerWaalsContact NE-CD 3.27Å; R663-E768 IonicContact NE-OE1 3.18Å; R663-E768 PolarHBondContact NE-OE1 3.46Å; R663-E768 IonicContact NE-OE2 2.74Å; R663-E768 PolarHBondContact NE-OE2 2.9Å; R663-E768 IonicContact NH2-OE1 2.74Å; R663-E768 PolarHBondContact NH2-OE1 3.45Å; R663-E768 IonicContact NH2-OE2 2.71Å; R663-E768 PolarHBondContact NH2-OE2 3.48Å; R663-V769 WeakPolarHBondContact CA-O 3.12Å; R663-L770 HydrophobicContact CB-CD1 4.04Å
664	G	92.6	Very high	86.8	Confident	6 Å²	6	61.9 Å²	61.9	6%	0.062	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	160.9	172.8	0	0	0	0	0	115	E768 V769	G664-E768 WeakPolarHBondContact O-CG 3.12Å; G664-V769 PolarHBondContact N-O 2.06Å; G664-V769 PolarHBondContact O-N 2.81Å
665	F	95.1	Very high	86.9	Confident	82 Å²	82	60.8 Å²	60.8	36%	0.36	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.9	168.6	-67.1	-75.6	0	0	0	111	K687 I688 Q766 V767 E768	F665-K687 HydrophobicContact CB-CD 4.3Å; F665-K687 HydrophobicContact CB-CG 4.26Å; F665-K687 WeakPolarHBondContact O-CA 3.08Å; F665-K687 VanDerWaalsContact O-CB 3.24Å; F665-K687 WeakPolarHBondContact O-CB 3.37Å; F665-I688 PolarHBondContact O-N 3.14Å; F665-Q766 HydrophobicContact CD1-CB 3.97Å; F665-Q766 HydrophobicContact CE1-CB 3.82Å; F665-V767 CarbonylContact C-O 3.5Å; F665-V767 WeakPolarHBondContact CA-O 3.43Å; F665-E768 HydrophobicContact CD1-CB 3.87Å; F665-E768 HydrophobicContact CD1-CG 4.21Å; F665-E768 HydrophobicContact CE1-CB 3.89Å; F665-E768 HydrophobicContact CE1-CG 4.26Å
666	V	95.2	Very high	87.2	Confident	16 Å²	16	61.8 Å²	61.8	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.5	-176.3	-175.1	0	0	0	0	111.1	I688 L690 I757 I761 V767 V769	V666-I688 WeakPolarHBondContact CA-O 3.29Å; V666-L690 HydrophobicContact CG1-CD1 3.69Å; V666-L690 HydrophobicContact CG1-CD2 3.53Å; V666-L690 HydrophobicContact CG1-CG 3.34Å; V666-I757 HydrophobicContact CG1-CG2 4.19Å; V666-I761 HydrophobicContact CB-CD1 4.05Å; V666-I761 HydrophobicContact CG1-CD1 3.59Å; V666-V767 HydrophobicContact CG2-CG1 4.37Å; V666-V767 PolarHBondContact N-O 2.81Å; V666-V769 HydrophobicContact CG2-CB 4.12Å; V666-V769 HydrophobicContact CG2-CG1 3.61Å; V666-V769 HydrophobicContact CG2-CG2 3.5Å; V666-V769 VanDerWaalsContact CG2-CG2 3.5Å
667	A	93.8	Very high	87.5	Confident	13 Å²	13	68.5 Å²	68.5	11%	0.107	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	139.5	174.2	0	0	0	0	0	112.5	A683 V684 K687 I688 A689 L690	A667-A683 VanDerWaalsContact CB-O 3.24Å; A667-A683 WeakPolarHBondContact CB-O 3.48Å; A667-V684 HydrophobicContact CB-CG2 4.35Å; A667-K687 HydrophobicContact CB-CB 4.39Å; A667-K687 HydrophobicContact CB-CD 3.78Å; A667-I688 PolarHBondContact N-O 3.03Å; A667-A689 CarbonylContact O-C 3.51Å; A667-A689 WeakPolarHBondContact O-CA 3.43Å; A667-L690 PolarHBondContact O-N 2.83Å
668	S	93.3	Very high	88.2	Confident	46 Å²	46	66.3 Å²	66.3	32%	0.322	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.8	178.7	-50	0	0	0	0	112.7	N680	S668-N680 PolarHBondContact O-ND2 2.87Å
669	S	92.9	Very high	89	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	32%	0.324	C	S	.	.			trans	-70.9	158.7	172.1	61	0	0	0	0	112.8	P671 Y672 L690	S669-P671 PolarHBondContact OG-O 2.99Å; S669-Y672 WeakPolarHBondContact O-CA 3.17Å; S669-Y672 PolarHBondContact OG-O 2.89Å; S669-L690 PolarHBondContact N-O 3.4Å; S669-L690 PolarHBondContact OG-O 3.44Å; S669-L690 VanDerWaalsContact OG-O 3.1Å
670	K	90.9	Very high	90.2	Very high	132 Å²	132	60.4 Å²	60.4	57%	0.574	31%	0.306	S	S	*	.	S	Bend	trans	-136	118.3	166.9	-67.1	-174.4	177.3	-177.4	0	108.9	L678 T679 N680	K670-L678 CarbonylContact O-C 3.47Å; K670-L678 WeakPolarHBondContact O-CA 3.36Å; K670-T679 VanDerWaalsContact CB-OG1 3.27Å; K670-T679 WeakPolarHBondContact CB-OG1 3.22Å; K670-T679 PolarHBondContact O-N 3.02Å; K670-T679 PolarHBondContact O-OG1 2.86Å; K670-N680 HydrophobicContact CB-CB 4.2Å; K670-N680 HydrophobicContact CD-CB 4.45Å; K670-N680 HydrophobicContact CG-CB 4.5Å; K670-N680 PolarHBondContact N-OD1 3.14Å
671	P	92	Very high	91.4	Very high	38 Å²	38	53.5 Å²	53.5	25%	0.247	28%	0.282	C	S	.	.	S	Bend	cis	-63.8	145.9	-0.6	29.5	-36.4	0	0	0	111.6	S669 N673 G674	S669-P671 PolarHBondContact OG-O 2.99Å; P671-N673 WeakPolarHBondContact CB-OD1 3.33Å; P671-N673 PolarHBondContact O-N 3.29Å; P671-G674 PolarHBondContact O-N 3.49Å
672	Y	91.5	Very high	91.7	Very high	65 Å²	65	58.5 Å²	58.5	26%	0.255	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24.6	-174.3	-175.7	-133.9	0	0	0	112.4	S669 G674 L690 I691 Q692	S669-Y672 WeakPolarHBondContact O-CA 3.17Å; S669-Y672 PolarHBondContact OG-O 2.89Å; Y672-G674 VanDerWaalsContact C-N 3.28Å; Y672-G674 PolarHBondContact O-N 2.75Å; Y672-L690 HydrophobicContact CE2-CB 4.23Å; Y672-I691 CarbonylContact O-C 3.59Å; Y672-I691 WeakPolarHBondContact O-CA 3.22Å; Y672-I691 VanDerWaalsContact O-CG2 3.23Å; Y672-I691 WeakPolarHBondContact O-CG2 3.43Å; Y672-Q692 HydrophobicContact CD1-CB 3.72Å; Y672-Q692 HydrophobicContact CD1-CG 4.32Å; Y672-Q692 HydrophobicContact CE1-CB 3.67Å; Y672-Q692 HydrophobicContact CE1-CG 3.99Å; Y672-Q692 HydrophobicContact CG-CB 4.26Å; Y672-Q692 PolarHBondContact O-N 3.48Å
673	N	89.3	Confident	91.7	Very high	64 Å²	64	59.4 Å²	59.4	34%	0.342	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.6	172.3	68.2	16.4	0	0	0	114.2	P671 C675 I691 K701	P671-N673 WeakPolarHBondContact CB-OD1 3.33Å; P671-N673 PolarHBondContact O-N 3.29Å; N673-C675 PolarHBondContact O-N 2.95Å; N673-C675 VanDerWaalsContact O-N 3.1Å; N673-C675 PolarHBondContact O-SG 3.31Å; N673-C675 PolarHBondContact OD1-N 2.93Å; N673-I691 WeakPolarHBondContact O-CG2 3.31Å; N673-K701 PolarHBondContact O-NZ 3.4Å
674	G	88.9	Confident	91.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.296	C	S	.	.			trans	58	19.5	-179.8	0	0	0	0	0	115.7	P671 Y672 S676 N704	P671-G674 PolarHBondContact O-N 3.49Å; Y672-G674 VanDerWaalsContact C-N 3.28Å; Y672-G674 PolarHBondContact O-N 2.75Å; G674-S676 VanDerWaalsContact C-N 3.34Å; G674-N704 PolarHBondContact O-ND2 2.91Å
675	C	89.6	Confident	91.8	Very high	34 Å²	34	59.7 Å²	59.7	23%	0.23	32%	0.32	C	S	.	.			trans	-82.5	-9.5	-174.3	-65	0	0	0	0	114.6	N673 C696	N673-C675 PolarHBondContact O-N 2.95Å; N673-C675 VanDerWaalsContact O-N 3.1Å; N673-C675 PolarHBondContact O-SG 3.31Å; N673-C675 PolarHBondContact OD1-N 2.93Å; C675-C696 WeakPolarHBondContact CA-SG 3.36Å; C675-C696 HydrophobicContact CB-CB 3.53Å; C675-C696 WeakPolarHBondContact CB-SG 3.35Å; C675-C696 WeakPolarHBondContact SG-CB 3.2Å; C675-C696 CovalentContact SG-SG 2.03Å; C675-C696 PolarHBondContact SG-SG 2.87Å
676	S	90.6	Very high	91.7	Very high	69 Å²	69	58 Å²	58	48%	0.483	33%	0.326	S	S	.	.	S	Bend	trans	-132.3	177.2	169.2	56.7	0	0	0	0	109.4	G674 N704	G674-S676 VanDerWaalsContact C-N 3.34Å; S676-N704 PolarHBondContact O-ND2 3.13Å
677	E	90.3	Very high	91.7	Very high	153 Å²	153	60.6 Å²	60.6	72%	0.715	34%	0.336	S	S	*	.			trans	-54.1	142	177.4	-63.3	-163.1	140.8	0	0	112.1	T679	E677-T679 PolarHBondContact O-N 3.12Å
678	L	91.8	Very high	91.8	Very high	18 Å²	18	60 Å²	60	9%	0.094	33%	0.331	C	S	.	.			trans	-72	123.1	-177.1	-83.6	73.6	0	0	0	110.5	K670 N680 P681 V684 N704 I705 A708	K670-L678 CarbonylContact O-C 3.47Å; K670-L678 WeakPolarHBondContact O-CA 3.36Å; L678-N680 PolarHBondContact O-N 2.92Å; L678-P681 WeakPolarHBondContact O-CD 3.32Å; L678-V684 HydrophobicContact CD2-CB 4.2Å; L678-V684 HydrophobicContact CD2-CG1 4.24Å; L678-V684 HydrophobicContact CD2-CG2 3.9Å; L678-N704 HydrophobicContact CD1-CB 4.01Å; L678-I705 HydrophobicContact CD1-CG2 3.93Å; L678-I705 HydrophobicContact CD2-CG2 4.07Å; L678-A708 HydrophobicContact CB-CB 4.1Å; L678-A708 HydrophobicContact CD1-CB 4.43Å; L678-A708 HydrophobicContact CD2-CB 3.97Å; L678-A708 HydrophobicContact CG-CB 4.39Å
679	T	90.9	Very high	92	Very high	112 Å²	112	57.8 Å²	57.8	69%	0.687	32%	0.315	S	S	*	.	S	Bend	trans	-71.5	-8.5	169.4	60.7	0	0	0	0	113.8	K670 E677 P681	K670-T679 VanDerWaalsContact CB-OG1 3.27Å; K670-T679 WeakPolarHBondContact CB-OG1 3.22Å; K670-T679 PolarHBondContact O-N 3.02Å; K670-T679 PolarHBondContact O-OG1 2.86Å; E677-T679 PolarHBondContact O-N 3.12Å; T679-P681 VanDerWaalsContact C-CD 3.49Å
680	N	93.3	Very high	92.2	Very high	29 Å²	29	57.7 Å²	57.7	16%	0.155	32%	0.315	C	S	.	.			trans	-128.6	47.9	-179.4	73	-33.5	0	0	0	113.8	S668 K670 L678 E682 A683	S668-N680 PolarHBondContact O-ND2 2.87Å; K670-N680 HydrophobicContact CB-CB 4.2Å; K670-N680 HydrophobicContact CD-CB 4.45Å; K670-N680 HydrophobicContact CG-CB 4.5Å; K670-N680 PolarHBondContact N-OD1 3.14Å; L678-N680 PolarHBondContact O-N 2.92Å; N680-E682 VanDerWaalsContact C-N 3.3Å; N680-E682 PolarHBondContact O-N 2.83Å; N680-A683 HydrophobicContact CB-CB 4.22Å; N680-A683 WeakPolarHBondContact O-CB 3.11Å; N680-A683 PolarHBondContact O-N 2.78Å
681	P	90.5	Very high	92.4	Very high	50 Å²	50	51.4 Å²	51.4	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-39.3	-170.2	27.9	-32.9	0	0	0	111.7	L678 T679 A683 V684 M685 A708	L678-P681 WeakPolarHBondContact O-CD 3.32Å; T679-P681 VanDerWaalsContact C-CD 3.49Å; P681-A683 PolarHBondContact O-N 3.37Å; P681-A683 VanDerWaalsContact O-N 3.12Å; P681-V684 PolarHBondContact O-N 3.48Å; P681-M685 WeakPolarHBondContact O-CB 3.28Å; P681-M685 PolarHBondContact O-N 3.2Å; P681-A708 HydrophobicContact CB-CB 3.95Å
682	E	91.2	Very high	92.5	Very high	176 Å²	176	52.9 Å²	52.9	82%	0.822	29%	0.291	S	S	*	.	H	α-helix	trans	-55.6	-29	175.1	-58.7	-176.4	164.7	0	0	114	N680	N680-E682 VanDerWaalsContact C-N 3.3Å; N680-E682 PolarHBondContact O-N 2.83Å
683	A	89	Confident	92.5	Very high	39 Å²	39	54.4 Å²	54.4	32%	0.322	30%	0.296	S	S	.	.	H	α-helix	trans	-76.8	-26.3	179.6	0	0	0	0	0	112.7	A667 N680 P681 K687	A667-A683 VanDerWaalsContact CB-O 3.24Å; A667-A683 WeakPolarHBondContact CB-O 3.48Å; N680-A683 HydrophobicContact CB-CB 4.22Å; N680-A683 WeakPolarHBondContact O-CB 3.11Å; N680-A683 PolarHBondContact O-N 2.78Å; P681-A683 PolarHBondContact O-N 3.37Å; P681-A683 VanDerWaalsContact O-N 3.12Å; A683-K687 WeakPolarHBondContact O-CD 3.06Å; A683-K687 PolarHBondContact O-NZ 3.32Å
684	V	92.6	Very high	92.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-108	-20.8	-170.7	-179	0	0	0	0	112.3	A667 L678 P681 G686 K687 A689 A710	A667-V684 HydrophobicContact CB-CG2 4.35Å; L678-V684 HydrophobicContact CD2-CB 4.2Å; L678-V684 HydrophobicContact CD2-CG1 4.24Å; L678-V684 HydrophobicContact CD2-CG2 3.9Å; P681-V684 PolarHBondContact O-N 3.48Å; V684-G686 PolarHBondContact O-N 2.92Å; V684-K687 WeakPolarHBondContact O-CB 3.42Å; V684-K687 PolarHBondContact O-N 3.23Å; V684-A689 HydrophobicContact CG1-CB 3.57Å; V684-A710 HydrophobicContact CG1-CB 3.92Å
685	M	94.4	Very high	92	Very high	116 Å²	116	61.8 Å²	61.8	57%	0.571	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129.7	175.1	-171.8	179.3	-65.1	0	0	111.7	P681 K687 G709	P681-M685 WeakPolarHBondContact O-CB 3.28Å; P681-M685 PolarHBondContact O-N 3.2Å; M685-K687 PolarHBondContact O-N 3.42Å; M685-G709 WeakPolarHBondContact CA-O 3.27Å
686	G	92.9	Very high	91.9	Very high	46 Å²	46	61.2 Å²	61.2	47%	0.474	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	8	-177.5	0	0	0	0	0	115.1	V684 G709	V684-G686 PolarHBondContact O-N 2.92Å; G686-G709 PolarHBondContact N-O 2.74Å
687	K	95.6	Very high	91.9	Very high	71 Å²	71	63.1 Å²	63.1	31%	0.309	33%	0.333	S	S	.	.	S	Bend	trans	-124.8	171.2	-173.8	-66.5	-176	-159.1	157.4	0	112.9	F665 A667 A683 V684 M685 A710 I711	F665-K687 HydrophobicContact CB-CD 4.3Å; F665-K687 HydrophobicContact CB-CG 4.26Å; F665-K687 WeakPolarHBondContact O-CA 3.08Å; F665-K687 VanDerWaalsContact O-CB 3.24Å; F665-K687 WeakPolarHBondContact O-CB 3.37Å; A667-K687 HydrophobicContact CB-CB 4.39Å; A667-K687 HydrophobicContact CB-CD 3.78Å; A683-K687 WeakPolarHBondContact O-CD 3.06Å; A683-K687 PolarHBondContact O-NZ 3.32Å; V684-K687 WeakPolarHBondContact O-CB 3.42Å; V684-K687 PolarHBondContact O-N 3.23Å; M685-K687 PolarHBondContact O-N 3.42Å; K687-A710 WeakPolarHBondContact O-CA 3.05Å; K687-I711 WeakPolarHBondContact O-CG1 3.44Å; K687-I711 PolarHBondContact O-N 2.97Å
688	I	97	Very high	92	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118	171.6	-65.3	169.6	0	0	0	108	F665 V666 A667 I711 G712 I714 V769 L771	F665-I688 PolarHBondContact O-N 3.14Å; V666-I688 WeakPolarHBondContact CA-O 3.29Å; A667-I688 PolarHBondContact N-O 3.03Å; I688-I711 HydrophobicContact CG1-CG1 4.26Å; I688-G712 WeakPolarHBondContact CA-O 3.33Å; I688-I714 HydrophobicContact CG2-CD1 3.96Å; I688-I714 HydrophobicContact CG2-CG1 3.93Å; I688-V769 HydrophobicContact CB-CG2 4.48Å; I688-V769 HydrophobicContact CD1-CG2 3.58Å; I688-V769 HydrophobicContact CG2-CG2 4.32Å; I688-L771 HydrophobicContact CD1-CD1 3.94Å; I688-L771 HydrophobicContact CD1-CD2 4.24Å; I688-L771 HydrophobicContact CD1-CG 3.88Å; I688-L771 HydrophobicContact CG1-CD1 4.33Å; I688-L771 HydrophobicContact CG2-CD1 4.27Å
689	A	96.8	Very high	92	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.5	-176.9	0	0	0	0	0	111.6	A667 V684 I691 I705 A710 G712 G713 I714	A667-A689 CarbonylContact O-C 3.51Å; A667-A689 WeakPolarHBondContact O-CA 3.43Å; V684-A689 HydrophobicContact CG1-CB 3.57Å; A689-I691 HydrophobicContact CB-CG1 4.41Å; A689-I705 HydrophobicContact CB-CB 4.01Å; A689-I705 HydrophobicContact CB-CD1 3.69Å; A689-I705 HydrophobicContact CB-CG1 4.46Å; A689-I705 HydrophobicContact CB-CG2 3.72Å; A689-A710 HydrophobicContact CB-CB 4.31Å; A689-G712 PolarHBondContact N-O 3.38Å; A689-G713 WeakPolarHBondContact O-CA 3.46Å; A689-I714 PolarHBondContact O-N 3.11Å
690	L	96.2	Very high	92.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129	159.6	-58	-173.1	0	0	0	109.6	V666 A667 S669 Y672 I714 I716 I757 L758 I761	V666-L690 HydrophobicContact CG1-CD1 3.69Å; V666-L690 HydrophobicContact CG1-CD2 3.53Å; V666-L690 HydrophobicContact CG1-CG 3.34Å; A667-L690 PolarHBondContact O-N 2.83Å; S669-L690 PolarHBondContact N-O 3.4Å; S669-L690 PolarHBondContact OG-O 3.44Å; S669-L690 VanDerWaalsContact OG-O 3.1Å; Y672-L690 HydrophobicContact CE2-CB 4.23Å; L690-I714 HydrophobicContact CD2-CB 3.82Å; L690-I714 HydrophobicContact CD2-CD1 4.07Å; L690-I714 HydrophobicContact CD2-CG1 4.46Å; L690-I714 HydrophobicContact CD2-CG2 4.23Å; L690-I716 HydrophobicContact CD1-CD1 4.22Å; L690-I716 HydrophobicContact CD2-CD1 4.31Å; L690-I757 HydrophobicContact CD1-CG2 4.05Å; L690-I757 HydrophobicContact CD2-CG2 4.37Å; L690-L758 HydrophobicContact CD1-CD2 3.69Å; L690-L758 HydrophobicContact CD1-CG 4.49Å; L690-I761 HydrophobicContact CD1-CD1 3.63Å
691	I	95.6	Very high	92.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.8	175.1	-37.9	177.2	0	0	0	108	Y672 N673 A689 K701 I705 I714 V715 I716	Y672-I691 CarbonylContact O-C 3.59Å; Y672-I691 WeakPolarHBondContact O-CA 3.22Å; Y672-I691 VanDerWaalsContact O-CG2 3.23Å; Y672-I691 WeakPolarHBondContact O-CG2 3.43Å; N673-I691 WeakPolarHBondContact O-CG2 3.31Å; A689-I691 HydrophobicContact CB-CG1 4.41Å; I691-K701 HydrophobicContact CD1-CB 3.9Å; I691-K701 HydrophobicContact CG2-CD 4.31Å; I691-K701 HydrophobicContact CG2-CG 4.48Å; I691-I705 HydrophobicContact CD1-CB 4.49Å; I691-I705 HydrophobicContact CD1-CD1 4.11Å; I691-I705 HydrophobicContact CD1-CG1 4.23Å; I691-I705 HydrophobicContact CD1-CG2 3.5Å; I691-I705 HydrophobicContact CG1-CG2 4.03Å; I691-I714 PolarHBondContact N-O 3.17Å; I691-V715 CarbonylContact O-C 3.54Å; I691-V715 VanDerWaalsContact O-CA 3.28Å; I691-V715 WeakPolarHBondContact O-CA 3.37Å; I691-I716 PolarHBondContact O-N 2.99Å
692	Q	94.6	Very high	92.4	Very high	68 Å²	68	50.8 Å²	50.8	32%	0.318	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	151.3	166.9	-152.6	173.7	1.2	0	0	111.4	Y672 K701 I716 D718	Y672-Q692 HydrophobicContact CD1-CB 3.72Å; Y672-Q692 HydrophobicContact CD1-CG 4.32Å; Y672-Q692 HydrophobicContact CE1-CB 3.67Å; Y672-Q692 HydrophobicContact CE1-CG 3.99Å; Y672-Q692 HydrophobicContact CG-CB 4.26Å; Y672-Q692 PolarHBondContact O-N 3.48Å; Q692-K701 PolarHBondContact O-NZ 2.75Å; Q692-I716 CarbonylContact C-O 3.49Å; Q692-I716 WeakPolarHBondContact CA-O 3.5Å; Q692-D718 HydrophobicContact CG-CB 4.16Å
693	R	92.4	Very high	92.5	Very high	97 Å²	97	44.1 Å²	44.1	37%	0.366	23%	0.229	S	C	.	.			trans	-56.2	155.6	156.8	-171.7	170.6	175.8	-162.9	-5.5	110.3	F698 V715 I716 D717 D718	R693-F698 HydrophobicContact CG-CE1 4.5Å; R693-V715 HydrophobicContact CB-CG1 4.48Å; R693-I716 PolarHBondContact N-O 3.05Å; R693-D717 WeakPolarHBondContact CD-OD1 2.76Å; R693-D717 IonicContact CZ-OD1 3.16Å; R693-D717 IonicContact NE-OD1 3.48Å; R693-D717 IonicContact NH1-OD1 3.31Å; R693-D717 PolarHBondContact NH1-OD1 3.3Å; R693-D718 HydrophobicContact CB-CB 4.22Å; R693-D718 VanDerWaalsContact CD-OD1 3.3Å; R693-D718 WeakPolarHBondContact CD-OD1 3.33Å; R693-D718 IonicContact NE-OD1 3.3Å
694	G	85.1	Confident	92.8	Very high	24 Å²	24	43.5 Å²	43.5	25%	0.247	22%	0.22	C	C	.	.			trans	177	-171.9	-177	0	0	0	0	0	109.8	C696	G694-C696 VanDerWaalsContact C-N 3.31Å; G694-C696 PolarHBondContact O-N 2.89Å
695	Q	81	Confident	92.9	Very high	196 Å²	196	43.5 Å²	43.5	92%	0.916	22%	0.22	S	C	*	.	S	Bend	trans	-70	-19.6	-167.8	-53.7	-58.8	-17.3	0	0	115.4
696	C	87.5	Confident	93	Very high	21 Å²	21	40 Å²	40	14%	0.142	20%	0.203	C	C	.	.	S	Bend	trans	-84.2	159.9	178.4	63	0	0	0	0	113.7	C675 G694 E700 K701	C675-C696 WeakPolarHBondContact CA-SG 3.36Å; C675-C696 HydrophobicContact CB-CB 3.53Å; C675-C696 WeakPolarHBondContact CB-SG 3.35Å; C675-C696 WeakPolarHBondContact SG-CB 3.2Å; C675-C696 CovalentContact SG-SG 2.03Å; C675-C696 PolarHBondContact SG-SG 2.87Å; G694-C696 VanDerWaalsContact C-N 3.31Å; G694-C696 PolarHBondContact O-N 2.89Å; C696-E700 WeakPolarHBondContact CB-OE2 3.32Å; C696-K701 WeakPolarHBondContact O-CE 3.36Å; C696-K701 WeakPolarHBondContact SG-CE 3.34Å; C696-K701 VanDerWaalsContact SG-CG 3.58Å; C696-K701 PolarHBondContact SG-NZ 3.33Å
697	M	90.4	Very high	93	Very high	109 Å²	109	43.5 Å²	43.5	54%	0.537	21%	0.211	S	C	.	.			trans	-72.2	152.3	-174.6	-67.4	-66.1	178.7	0	0	113.1	A699 E700 K701 D735	M697-A699 PolarHBondContact O-N 2.96Å; M697-E700 HydrophobicContact CB-CB 4.23Å; M697-E700 PolarHBondContact N-OE2 2.86Å; M697-E700 VanDerWaalsContact N-OE2 3.15Å; M697-E700 WeakPolarHBondContact O-CB 3.15Å; M697-E700 PolarHBondContact O-N 3.22Å; M697-K701 WeakPolarHBondContact O-CG 3.43Å; M697-K701 PolarHBondContact O-N 2.9Å; M697-K701 VanDerWaalsContact O-N 3.13Å; M697-D735 HydrophobicContact CB-CB 3.74Å; M697-D735 HydrophobicContact CG-CB 3.9Å
698	F	93.8	Very high	93	Very high	34 Å²	34	40.6 Å²	40.6	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-35.9	-178.9	-61.8	-71.2	0	0	0	113.5	F652 R693 K701 A702 V715 F730 M732 F748	F652-F698 HydrophobicContact CE1-CB 4.11Å; F652-F698 HydrophobicContact CZ-CB 3.73Å; R693-F698 HydrophobicContact CG-CE1 4.5Å; F698-K701 HydrophobicContact CD1-CD 4.41Å; F698-A702 PolarHBondContact O-N 3.18Å; F698-A702 VanDerWaalsContact O-N 3.14Å; F698-V715 HydrophobicContact CD1-CB 4.49Å; F698-V715 HydrophobicContact CD1-CG1 4.07Å; F698-V715 HydrophobicContact CD1-CG2 4.36Å; F698-V715 HydrophobicContact CE1-CG1 3.9Å; F698-F730 HydrophobicContact CE2-CE2 4.31Å; F698-F730 HydrophobicContact CZ-CE2 4.23Å; F698-M732 HydrophobicContact CB-CB 3.94Å; F698-M732 HydrophobicContact CB-CG 4.27Å; F698-M732 HydrophobicContact CB-SD 4.05Å; F698-M732 HydrophobicContact CD1-CB 4.48Å; F698-M732 HydrophobicContact CD1-CG 3.92Å; F698-M732 HydrophobicContact CD1-SD 3.43Å; F698-M732 WeakPolarHBondContact CD1-SD 3.2Å; F698-M732 HydrophobicContact CD2-CB 3.87Å; F698-M732 HydrophobicContact CD2-CG 3.92Å; F698-M732 HydrophobicContact CD2-SD 4.48Å; F698-M732 HydrophobicContact CE1-CG 4.15Å; F698-M732 HydrophobicContact CE1-SD 3.89Å; F698-M732 HydrophobicContact CE2-CB 4.46Å; F698-M732 HydrophobicContact CE2-CG 4.15Å; F698-M732 HydrophobicContact CG-CB 3.87Å; F698-M732 HydrophobicContact CG-CG 3.8Å; F698-M732 HydrophobicContact CG-SD 3.76Å; F698-M732 HydrophobicContact CZ-CG 4.26Å; F698-F748 HydrophobicContact CE1-CD2 4.27Å; F698-F748 HydrophobicContact CE1-CE2 4.34Å; F698-F748 HydrophobicContact CZ-CE2 4.46Å
699	A	91.9	Very high	92.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-36.1	174.8	0	0	0	0	0	112.6	F652 M697 A702 R703 D735 T739 I742	F652-A699 HydrophobicContact CD1-CB 4.33Å; F652-A699 HydrophobicContact CD2-CB 4.32Å; F652-A699 HydrophobicContact CE1-CB 4.29Å; F652-A699 HydrophobicContact CE2-CB 4.26Å; F652-A699 HydrophobicContact CG-CB 4.37Å; F652-A699 HydrophobicContact CZ-CB 4.26Å; M697-A699 PolarHBondContact O-N 2.96Å; A699-A702 WeakPolarHBondContact O-CB 3.49Å; A699-A702 PolarHBondContact O-N 3.3Å; A699-R703 WeakPolarHBondContact O-CG 3.37Å; A699-R703 PolarHBondContact O-N 3.06Å; A699-D735 HydrophobicContact CB-CB 4.19Å; A699-T739 HydrophobicContact CB-CG2 4.21Å; A699-I742 HydrophobicContact CB-CD1 3.68Å; A699-I742 WeakPolarHBondContact O-CD1 3.44Å
700	E	92.2	Very high	92.8	Very high	69 Å²	69	42.3 Å²	42.3	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-65.4	-48.1	176	178.7	174.6	-145.9	0	0	111.6	C696 M697 A702 R703 N704	C696-E700 WeakPolarHBondContact CB-OE2 3.32Å; M697-E700 HydrophobicContact CB-CB 4.23Å; M697-E700 PolarHBondContact N-OE2 2.86Å; M697-E700 VanDerWaalsContact N-OE2 3.15Å; M697-E700 WeakPolarHBondContact O-CB 3.15Å; M697-E700 PolarHBondContact O-N 3.22Å; E700-A702 PolarHBondContact O-N 3.21Å; E700-R703 PolarHBondContact O-N 3.24Å; E700-R703 VanDerWaalsContact O-N 3.16Å; E700-N704 PolarHBondContact O-N 3.37Å
701	K	94.2	Very high	92.8	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-52.6	-42	170.6	-64.3	170.4	-169.3	-80.7	0	112	N673 I691 Q692 C696 M697 F698 N704 I705 V715	N673-K701 PolarHBondContact O-NZ 3.4Å; I691-K701 HydrophobicContact CD1-CB 3.9Å; I691-K701 HydrophobicContact CG2-CD 4.31Å; I691-K701 HydrophobicContact CG2-CG 4.48Å; Q692-K701 PolarHBondContact O-NZ 2.75Å; C696-K701 WeakPolarHBondContact O-CE 3.36Å; C696-K701 WeakPolarHBondContact SG-CE 3.34Å; C696-K701 VanDerWaalsContact SG-CG 3.58Å; C696-K701 PolarHBondContact SG-NZ 3.33Å; M697-K701 WeakPolarHBondContact O-CG 3.43Å; M697-K701 PolarHBondContact O-N 2.9Å; M697-K701 VanDerWaalsContact O-N 3.13Å; F698-K701 HydrophobicContact CD1-CD 4.41Å; K701-N704 PolarHBondContact O-N 3.19Å; K701-I705 PolarHBondContact O-N 3.26Å; K701-I705 VanDerWaalsContact O-N 3.12Å; K701-V715 HydrophobicContact CD-CG1 4.49Å
702	A	95.1	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67	-41.9	179.7	0	0	0	0	0	112.8	F652 F698 A699 E700 I705 Q706 I742 M746	F652-A702 HydrophobicContact CD2-CB 4.47Å; F652-A702 HydrophobicContact CE2-CB 3.8Å; F698-A702 PolarHBondContact O-N 3.18Å; F698-A702 VanDerWaalsContact O-N 3.14Å; A699-A702 WeakPolarHBondContact O-CB 3.49Å; A699-A702 PolarHBondContact O-N 3.3Å; E700-A702 PolarHBondContact O-N 3.21Å; A702-I705 WeakPolarHBondContact O-CG1 3.36Å; A702-Q706 VanDerWaalsContact O-CB 3.24Å; A702-Q706 WeakPolarHBondContact O-CB 3.26Å; A702-Q706 PolarHBondContact O-N 3.28Å; A702-I742 HydrophobicContact CB-CD1 4.18Å; A702-I742 HydrophobicContact CB-CG2 3.97Å; A702-M746 HydrophobicContact CB-CE 3.92Å; A702-M746 HydrophobicContact CB-CG 3.78Å; A702-M746 HydrophobicContact CB-SD 3.76Å
703	R	94.4	Very high	92.8	Very high	35 Å²	35	42.2 Å²	42.2	13%	0.132	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-44.4	172.7	-67.3	178.4	-168.5	113.1	-2.3	111.1	A699 E700 I705 Q706 N707 D735 D738 D741 I742	A699-R703 WeakPolarHBondContact O-CG 3.37Å; A699-R703 PolarHBondContact O-N 3.06Å; E700-R703 PolarHBondContact O-N 3.24Å; E700-R703 VanDerWaalsContact O-N 3.16Å; R703-I705 PolarHBondContact O-N 3.21Å; R703-Q706 PolarHBondContact O-N 3.04Å; R703-N707 WeakPolarHBondContact O-CB 3.41Å; R703-N707 PolarHBondContact O-N 3.01Å; R703-N707 PolarHBondContact O-OD1 2.87Å; R703-D735 IonicContact CZ-OD1 3.8Å; R703-D735 IonicContact CZ-OD2 3.85Å; R703-D735 IonicContact NH1-OD1 3.74Å; R703-D735 PolarHBondContact NH1-OD1 3.46Å; R703-D735 IonicContact NH1-OD2 3.15Å; R703-D735 PolarHBondContact NH1-OD2 2.79Å; R703-D735 IonicContact NH2-OD1 3.44Å; R703-D735 PolarHBondContact NH2-OD1 2.96Å; R703-D735 IonicContact NH2-OD2 2.73Å; R703-D738 PolarHBondContact NH2-O 2.68Å; R703-D741 WeakPolarHBondContact CD-OD2 3.46Å; R703-D741 WeakPolarHBondContact CG-OD2 3.43Å; R703-D741 IonicContact CZ-OD1 2.66Å; R703-D741 IonicContact CZ-OD2 3.46Å; R703-D741 IonicContact NE-OD1 3.18Å; R703-D741 PolarHBondContact NE-OD1 2.62Å; R703-D741 IonicContact NE-OD2 2.68Å; R703-D741 PolarHBondContact NE-OD2 2.78Å; R703-D741 IonicContact NH2-OD1 2.73Å; R703-D741 PolarHBondContact NH2-OD1 3.14Å; R703-I742 HydrophobicContact CG-CD1 4.11Å; R703-I742 HydrophobicContact CG-CG1 3.79Å
704	N	94.4	Very high	93.1	Very high	26 Å²	26	37.6 Å²	37.6	14%	0.139	20%	0.2	C	C	.	.	H	α-helix	trans	-59.9	-45.7	179.6	-67.4	-15.1	0	0	0	112.3	G674 S676 L678 E700 K701 A708	G674-N704 PolarHBondContact O-ND2 2.91Å; S676-N704 PolarHBondContact O-ND2 3.13Å; L678-N704 HydrophobicContact CD1-CB 4.01Å; E700-N704 PolarHBondContact O-N 3.37Å; K701-N704 PolarHBondContact O-N 3.19Å; N704-A708 PolarHBondContact O-N 3.28Å; N704-A708 VanDerWaalsContact O-N 3.15Å
705	I	95.7	Very high	93.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73.2	-31	176	63.1	158.3	0	0	0	113.4	L678 A689 I691 K701 A702 R703 A708 G709 A710 I744 M746	L678-I705 HydrophobicContact CD1-CG2 3.93Å; L678-I705 HydrophobicContact CD2-CG2 4.07Å; A689-I705 HydrophobicContact CB-CB 4.01Å; A689-I705 HydrophobicContact CB-CD1 3.69Å; A689-I705 HydrophobicContact CB-CG1 4.46Å; A689-I705 HydrophobicContact CB-CG2 3.72Å; I691-I705 HydrophobicContact CD1-CB 4.49Å; I691-I705 HydrophobicContact CD1-CD1 4.11Å; I691-I705 HydrophobicContact CD1-CG1 4.23Å; I691-I705 HydrophobicContact CD1-CG2 3.5Å; I691-I705 HydrophobicContact CG1-CG2 4.03Å; K701-I705 PolarHBondContact O-N 3.26Å; K701-I705 VanDerWaalsContact O-N 3.12Å; A702-I705 WeakPolarHBondContact O-CG1 3.36Å; R703-I705 PolarHBondContact O-N 3.21Å; I705-A708 CarbonylContact O-C 3.5Å; I705-A708 PolarHBondContact O-N 3.26Å; I705-G709 PolarHBondContact O-N 2.73Å; I705-A710 HydrophobicContact CB-CB 3.89Å; I705-A710 HydrophobicContact CD1-CB 4.07Å; I705-A710 HydrophobicContact CG1-CB 4.23Å; I705-A710 WeakPolarHBondContact O-CB 3.31Å; I705-A710 PolarHBondContact O-N 2.98Å; I705-I744 HydrophobicContact CD1-CD1 3.56Å; I705-I744 HydrophobicContact CG1-CD1 3.7Å; I705-M746 HydrophobicContact CD1-CE 4.26Å; I705-M746 HydrophobicContact CD1-SD 3.85Å
706	Q	96	Very high	94.3	Very high	44 Å²	44	27.4 Å²	27.4	21%	0.206	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-42.1	175.4	-176.2	174.9	-90.6	0	0	110.9	A702 R703 A708 G709 D741 I744	A702-Q706 VanDerWaalsContact O-CB 3.24Å; A702-Q706 WeakPolarHBondContact O-CB 3.26Å; A702-Q706 PolarHBondContact O-N 3.28Å; R703-Q706 PolarHBondContact O-N 3.04Å; Q706-A708 VanDerWaalsContact C-N 3.28Å; Q706-A708 PolarHBondContact O-N 2.73Å; Q706-G709 WeakPolarHBondContact O-CA 3.13Å; Q706-G709 PolarHBondContact O-N 3.44Å; Q706-D741 PolarHBondContact NE2-O 2.78Å; Q706-I744 HydrophobicContact CB-CD1 3.97Å; Q706-I744 HydrophobicContact CB-CG1 4.33Å; Q706-I744 HydrophobicContact CG-CG2 4.23Å
707	N	94.2	Very high	94.6	Very high	119 Å²	119	26.7 Å²	26.7	64%	0.636	14%	0.141	S	C	*	.	H	α-helix	trans	-64.8	-33.3	174.2	-66.7	-7.1	0	0	0	111.7	R703 G709	R703-N707 WeakPolarHBondContact O-CB 3.41Å; R703-N707 PolarHBondContact O-N 3.01Å; R703-N707 PolarHBondContact O-OD1 2.87Å; N707-G709 PolarHBondContact O-N 3.45Å
708	A	93.8	Very high	94.6	Very high	9 Å²	9	24.8 Å²	24.8	7%	0.074	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	0.9	170.1	0	0	0	0	0	114.4	L678 P681 N704 I705 Q706	L678-A708 HydrophobicContact CB-CB 4.1Å; L678-A708 HydrophobicContact CD1-CB 4.43Å; L678-A708 HydrophobicContact CD2-CB 3.97Å; L678-A708 HydrophobicContact CG-CB 4.39Å; P681-A708 HydrophobicContact CB-CB 3.95Å; N704-A708 PolarHBondContact O-N 3.28Å; N704-A708 VanDerWaalsContact O-N 3.15Å; I705-A708 CarbonylContact O-C 3.5Å; I705-A708 PolarHBondContact O-N 3.26Å; Q706-A708 VanDerWaalsContact C-N 3.28Å; Q706-A708 PolarHBondContact O-N 2.73Å
709	G	94.3	Very high	94.3	Very high	29 Å²	29	28 Å²	28	30%	0.299	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	19.7	176.7	0	0	0	0	0	115.3	M685 G686 I705 Q706 N707	M685-G709 WeakPolarHBondContact CA-O 3.27Å; G686-G709 PolarHBondContact N-O 2.74Å; I705-G709 PolarHBondContact O-N 2.73Å; Q706-G709 WeakPolarHBondContact O-CA 3.13Å; Q706-G709 PolarHBondContact O-N 3.44Å; N707-G709 PolarHBondContact O-N 3.45Å
710	A	96.4	Very high	94.1	Very high	7 Å²	7	36.4 Å²	36.4	6%	0.058	19%	0.191	C	C	.	.			trans	-62.4	150	171.5	0	0	0	0	0	111.5	V684 K687 A689 I705 I744	V684-A710 HydrophobicContact CG1-CB 3.92Å; K687-A710 WeakPolarHBondContact O-CA 3.05Å; A689-A710 HydrophobicContact CB-CB 4.31Å; I705-A710 HydrophobicContact CB-CB 3.89Å; I705-A710 HydrophobicContact CD1-CB 4.07Å; I705-A710 HydrophobicContact CG1-CB 4.23Å; I705-A710 WeakPolarHBondContact O-CB 3.31Å; I705-A710 PolarHBondContact O-N 2.98Å; A710-I744 WeakPolarHBondContact O-CG2 3.36Å
711	I	95.1	Very high	93.6	Very high	66 Å²	66	36.1 Å²	36.1	34%	0.338	21%	0.206	S	C	.	.	S	Bend	trans	-98.6	-1.7	174.3	61.1	168.5	0	0	0	113.3	R663 K687 I688 P745	R663-I711 WeakPolarHBondContact O-CD1 3.21Å; K687-I711 WeakPolarHBondContact O-CG1 3.44Å; K687-I711 PolarHBondContact O-N 2.97Å; I688-I711 HydrophobicContact CG1-CG1 4.26Å; I711-P745 WeakPolarHBondContact O-CD 3.5Å
712	G	95.3	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	166.9	179.5	0	0	0	0	0	110.9	I688 A689 P745	I688-G712 WeakPolarHBondContact CA-O 3.33Å; A689-G712 PolarHBondContact N-O 3.38Å; G712-P745 WeakPolarHBondContact CA-O 3.36Å
713	G	96.2	Very high	93	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.3	179	0	0	0	0	0	114.1	A689 P745 M746 L747	A689-G713 WeakPolarHBondContact O-CA 3.46Å; G713-P745 PolarHBondContact N-O 3.38Å; G713-M746 VanDerWaalsContact CA-SD 3.59Å; G713-M746 WeakPolarHBondContact O-CA 3.42Å; G713-L747 PolarHBondContact O-N 2.63Å
714	I	97.3	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.8	170.5	-59.3	170.7	0	0	0	107.5	V632 I688 A689 L690 I691 I716 L747 L749 I757 V769 L771	V632-I714 HydrophobicContact CG1-CD1 3.89Å; V632-I714 HydrophobicContact CG2-CD1 4.25Å; I688-I714 HydrophobicContact CG2-CD1 3.96Å; I688-I714 HydrophobicContact CG2-CG1 3.93Å; A689-I714 PolarHBondContact O-N 3.11Å; L690-I714 HydrophobicContact CD2-CB 3.82Å; L690-I714 HydrophobicContact CD2-CD1 4.07Å; L690-I714 HydrophobicContact CD2-CG1 4.46Å; L690-I714 HydrophobicContact CD2-CG2 4.23Å; I691-I714 PolarHBondContact N-O 3.17Å; I714-I716 HydrophobicContact CG2-CG1 4.29Å; I714-L747 CarbonylContact C-O 3.55Å; I714-L747 WeakPolarHBondContact CA-O 3.24Å; I714-L749 HydrophobicContact CG2-CB 4.39Å; I714-L749 HydrophobicContact CG2-CD1 3.71Å; I714-L749 HydrophobicContact CG2-CG 3.85Å; I714-I757 HydrophobicContact CD1-CD1 3.99Å; I714-V769 HydrophobicContact CD1-CG2 4.27Å; I714-L771 HydrophobicContact CD1-CD2 3.97Å; I714-L771 HydrophobicContact CG1-CD2 4.09Å
715	V	96.8	Very high	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.7	173	-171.1	0	0	0	0	109.2	I691 R693 F698 K701 M732 M746 L747 F748 L749	I691-V715 CarbonylContact O-C 3.54Å; I691-V715 VanDerWaalsContact O-CA 3.28Å; I691-V715 WeakPolarHBondContact O-CA 3.37Å; R693-V715 HydrophobicContact CB-CG1 4.48Å; F698-V715 HydrophobicContact CD1-CB 4.49Å; F698-V715 HydrophobicContact CD1-CG1 4.07Å; F698-V715 HydrophobicContact CD1-CG2 4.36Å; F698-V715 HydrophobicContact CE1-CG1 3.9Å; K701-V715 HydrophobicContact CD-CG1 4.49Å; V715-M732 HydrophobicContact CB-SD 3.94Å; V715-M732 HydrophobicContact CG2-CE 4.38Å; V715-M732 HydrophobicContact CG2-SD 3.82Å; V715-M746 HydrophobicContact CG2-CE 3.9Å; V715-L747 PolarHBondContact N-O 3.12Å; V715-F748 HydrophobicContact CB-CD2 4.26Å; V715-F748 HydrophobicContact CG1-CD2 4.42Å; V715-F748 CarbonylContact O-C 3.4Å; V715-F748 WeakPolarHBondContact O-CA 3.3Å; V715-L749 PolarHBondContact O-N 2.61Å
716	I	95.8	Very high	91.2	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.3	179.7	-62.7	173.4	0	0	0	109.4	L690 I691 Q692 R693 I714 L749 L758	L690-I716 HydrophobicContact CD1-CD1 4.22Å; L690-I716 HydrophobicContact CD2-CD1 4.31Å; I691-I716 PolarHBondContact O-N 2.99Å; Q692-I716 CarbonylContact C-O 3.49Å; Q692-I716 WeakPolarHBondContact CA-O 3.5Å; R693-I716 PolarHBondContact N-O 3.05Å; I714-I716 HydrophobicContact CG2-CG1 4.29Å; I716-L749 WeakPolarHBondContact CA-O 3.3Å; I716-L758 HydrophobicContact CD1-CD1 4.13Å; I716-L758 HydrophobicContact CD1-CD2 4.38Å; I716-L758 HydrophobicContact CD1-CG 4.11Å
717	D	93.5	Very high	90.2	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.032	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-60.1	140.2	177.5	-157.6	36.2	0	0	0	112.6	R693 S722 F748 L749 F750	R693-D717 WeakPolarHBondContact CD-OD1 2.76Å; R693-D717 IonicContact CZ-OD1 3.16Å; R693-D717 IonicContact NE-OD1 3.48Å; R693-D717 IonicContact NH1-OD1 3.31Å; R693-D717 PolarHBondContact NH1-OD1 3.3Å; D717-S722 VanDerWaalsContact OD2-CB 3.26Å; D717-S722 WeakPolarHBondContact OD2-CB 3.23Å; D717-S722 PolarHBondContact OD2-OG 2.78Å; D717-F748 HydrophobicContact CB-CE1 4.35Å; D717-F748 HydrophobicContact CB-CE2 4.25Å; D717-F748 HydrophobicContact CB-CZ 3.58Å; D717-L749 PolarHBondContact N-O 3.2Å; D717-F750 HydrophobicContact CB-CD1 4.46Å
718	D	90.6	Very high	89.4	Confident	68 Å²	68	45.6 Å²	45.6	36%	0.364	28%	0.279	S	S	.	.	S	Bend	trans	-88	-15.5	-180	52.8	-6	0	0	0	113.6	Q692 R693 E720	Q692-D718 HydrophobicContact CG-CB 4.16Å; R693-D718 HydrophobicContact CB-CB 4.22Å; R693-D718 VanDerWaalsContact CD-OD1 3.3Å; R693-D718 WeakPolarHBondContact CD-OD1 3.33Å; R693-D718 IonicContact NE-OD1 3.3Å; D718-E720 PolarHBondContact O-N 2.93Å
719	N	88.1	Confident	88.6	Confident	101 Å²	101	47.4 Å²	47.4	54%	0.54	29%	0.287	S	S	.	.	S	Bend	trans	-77.7	102.8	175.9	-179.3	44.4	0	0	0	111.7	G721 S722 S751	N719-G721 PolarHBondContact O-N 2.82Å; N719-S722 WeakPolarHBondContact O-CB 3.48Å; N719-S722 PolarHBondContact O-N 2.65Å; N719-S722 PolarHBondContact O-OG 3.06Å; N719-S751 WeakPolarHBondContact O-CB 3.41Å
720	E	86.2	Confident	87.8	Confident	178 Å²	178	49.2 Å²	49.2	83%	0.832	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	133	-178.3	-66.2	-167.7	154.4	0	0	113.1	D718 S722	D718-E720 PolarHBondContact O-N 2.93Å; E720-S722 VanDerWaalsContact C-N 3.32Å; E720-S722 PolarHBondContact O-N 3.08Å
721	G	82.1	Confident	87.2	Confident	62 Å²	62	51.6 Å²	51.6	64%	0.639	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	1.5	178.2	0	0	0	0	0	115.5	N719	N719-G721 PolarHBondContact O-N 2.82Å
722	S	87.9	Confident	86.9	Confident	10 Å²	10	48.4 Å²	48.4	7%	0.07	28%	0.281	C	S	.	.			trans	-62.5	144.9	169.1	71	0	0	0	0	111.6	D717 N719 E720 S751 K752	D717-S722 VanDerWaalsContact OD2-CB 3.26Å; D717-S722 WeakPolarHBondContact OD2-CB 3.23Å; D717-S722 PolarHBondContact OD2-OG 2.78Å; N719-S722 WeakPolarHBondContact O-CB 3.48Å; N719-S722 PolarHBondContact O-N 2.65Å; N719-S722 PolarHBondContact O-OG 3.06Å; E720-S722 VanDerWaalsContact C-N 3.32Å; E720-S722 PolarHBondContact O-N 3.08Å; S722-S751 PolarHBondContact O-N 3.5Å; S722-S751 WeakPolarHBondContact OG-CB 3.29Å; S722-S751 PolarHBondContact OG-N 2.91Å; S722-K752 VanDerWaalsContact O-CB 3.29Å; S722-K752 WeakPolarHBondContact O-CB 3.02Å; S722-K752 PolarHBondContact O-N 2.98Å
723	S	90.1	Very high	86.3	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.014	30%	0.298	C	S	.	.			trans	-156.4	149.4	179	175.1	0	0	0	0	113.2	D725 T726 A727 K752 E753	S723-D725 PolarHBondContact O-N 3.37Å; S723-D725 PolarHBondContact OG-N 2.79Å; S723-D725 PolarHBondContact OG-OD2 3.45Å; S723-T726 PolarHBondContact N-OG1 3.23Å; S723-T726 PolarHBondContact O-N 3.4Å; S723-T726 PolarHBondContact O-OG1 3.02Å; S723-A727 PolarHBondContact O-N 3.37Å; S723-K752 VanDerWaalsContact CB-CD 3.49Å; S723-K752 VanDerWaalsContact OG-CD 3.32Å; S723-K752 WeakPolarHBondContact OG-CD 3.49Å; S723-E753 WeakPolarHBondContact CA-OE2 3.44Å; S723-E753 PolarHBondContact OG-OE1 3.48Å
724	S	85.6	Confident	85.6	Confident	26 Å²	26	51.8 Å²	51.8	18%	0.182	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.3	173.2	66.1	0	0	0	0	114.3	T646 T726 F750 E753	T646-S724 WeakPolarHBondContact CB-OG 3.49Å; S724-T726 PolarHBondContact O-N 2.78Å; S724-F750 VanDerWaalsContact N-CD2 3.31Å; S724-E753 WeakPolarHBondContact CB-OE1 3.43Å; S724-E753 PolarHBondContact N-OE1 3.42Å; S724-E753 PolarHBondContact OG-OE1 2.73Å
725	D	82.3	Confident	84.9	Confident	126 Å²	126	53 Å²	53	67%	0.674	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.7	170.2	-65.6	-43.6	0	0	0	112.7	S723 K752	S723-D725 PolarHBondContact O-N 3.37Å; S723-D725 PolarHBondContact OG-N 2.79Å; S723-D725 PolarHBondContact OG-OD2 3.45Å; D725-K752 IonicContact OD2-NZ 2.81Å; D725-K752 PolarHBondContact OD2-NZ 3.48Å
726	T	77.8	Confident	83.7	Confident	109 Å²	109	57 Å²	57	67%	0.669	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-23.1	-164.1	59	0	0	0	0	114.4	S723 S724	S723-T726 PolarHBondContact N-OG1 3.23Å; S723-T726 PolarHBondContact O-N 3.4Å; S723-T726 PolarHBondContact O-OG1 3.02Å; S724-T726 PolarHBondContact O-N 2.78Å
727	A	74.6	Confident	82.7	Confident	32 Å²	32	63.3 Å²	63.3	26%	0.264	39%	0.386	S	S	.	.	S	Bend	trans	-128.6	140.6	179.4	0	0	0	0	0	110	S723 F750	S723-A727 PolarHBondContact O-N 3.37Å; A727-F750 HydrophobicContact CB-CE1 4.07Å; A727-F750 HydrophobicContact CB-CE2 4.29Å; A727-F750 HydrophobicContact CB-CZ 3.73Å
728	P	77.1	Confident	82	Confident	119 Å²	119	68.9 Å²	68.9	77%	0.773	42%	0.415	S	S	*	.			trans	-63.8	139.3	175.4	28.5	-34.4	0	0	0	110.4	F730	P728-F730 PolarHBondContact O-N 2.63Å
729	L	77.9	Confident	81.8	Confident	47 Å²	47	67.2 Å²	67.2	25%	0.246	41%	0.408	C	S	.	.			trans	-62.7	134.3	172.5	-64.1	163.8	0	0	0	109.9	P629 T646 F750	P629-L729 HydrophobicContact CB-CD1 3.65Å; T646-L729 HydrophobicContact CG2-CD1 3.69Å; T646-L729 HydrophobicContact CG2-CD2 4.25Å; L729-F750 HydrophobicContact CD2-CD2 4.45Å; L729-F750 HydrophobicContact CD2-CE2 4.02Å
730	F	77.8	Confident	81.7	Confident	68 Å²	68	68 Å²	68	30%	0.298	41%	0.412	S	S	.	.			trans	-112.9	165.2	170.9	65.1	-87.1	0	0	0	110.3	F698 P728 F748 F750	F698-F730 HydrophobicContact CE2-CE2 4.31Å; F698-F730 HydrophobicContact CZ-CE2 4.23Å; P728-F730 PolarHBondContact O-N 2.63Å; F730-F748 HydrophobicContact CD1-CE1 4.5Å; F730-F748 AromaticContact CE1-CD1 3.98Å; F730-F748 HydrophobicContact CE1-CD1 3.98Å; F730-F748 AromaticContact CE1-CE1 3.44Å; F730-F748 HydrophobicContact CE1-CE1 3.44Å; F730-F748 VanDerWaalsContact CE1-CE1 3.44Å; F730-F748 AromaticContact CE1-CZ 3.74Å; F730-F748 HydrophobicContact CE1-CZ 3.74Å; F730-F748 HydrophobicContact CE2-CZ 4.49Å; F730-F748 AromaticContact CZ-CD1 3.86Å; F730-F748 HydrophobicContact CZ-CD1 3.86Å; F730-F748 HydrophobicContact CZ-CD2 4.1Å; F730-F748 AromaticContact CZ-CE1 3.47Å; F730-F748 HydrophobicContact CZ-CE1 3.47Å; F730-F748 VanDerWaalsContact CZ-CE1 3.47Å; F730-F748 AromaticContact CZ-CE2 3.73Å; F730-F748 HydrophobicContact CZ-CE2 3.73Å; F730-F748 HydrophobicContact CZ-CG 4.15Å; F730-F748 AromaticContact CZ-CZ 3.39Å; F730-F748 HydrophobicContact CZ-CZ 3.39Å; F730-F750 HydrophobicContact CD1-CZ 4.25Å; F730-F750 HydrophobicContact CE1-CE1 4Å; F730-F750 HydrophobicContact CE1-CZ 4.16Å
731	Q	83.2	Confident	81.9	Confident	56 Å²	56	63.1 Å²	63.1	26%	0.262	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-96.4	135.9	174.1	-150.3	172.6	3.8	0	0	109.6	L627 P649 A650 Q651 A733	L627-Q731 HydrophobicContact CD1-CB 3.84Å; P649-Q731 HydrophobicContact CB-CG 4.11Å; P649-Q731 HydrophobicContact CG-CG 3.99Å; P649-Q731 CarbonylContact O-C 3.44Å; P649-Q731 VanDerWaalsContact O-CA 3.24Å; P649-Q731 WeakPolarHBondContact O-CA 3.42Å; P649-Q731 WeakPolarHBondContact O-CG 3.47Å; A650-Q731 PolarHBondContact O-NE2 3.34Å; Q651-Q731 HydrophobicContact CG-CB 4.15Å; Q651-Q731 HydrophobicContact CG-CG 3.64Å; Q731-A733 PolarHBondContact O-N 2.85Å
732	M	89.3	Confident	82.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-67.3	116.3	170.6	-67.7	-173.1	-65.7	0	0	109.4	P649 A650 Q651 F652 F698 V715 M746 L747 F748	P649-M732 PolarHBondContact O-N 3.13Å; A650-M732 HydrophobicContact CB-CB 4.3Å; A650-M732 HydrophobicContact CB-CE 4.08Å; Q651-M732 PolarHBondContact N-O 2.99Å; F652-M732 HydrophobicContact CE1-CB 4.03Å; F652-M732 VanDerWaalsContact CE1-O 3.31Å; F652-M732 WeakPolarHBondContact CE1-O 3.38Å; F652-M732 HydrophobicContact CZ-CB 4.22Å; F698-M732 HydrophobicContact CB-CB 3.94Å; F698-M732 HydrophobicContact CB-CG 4.27Å; F698-M732 HydrophobicContact CB-SD 4.05Å; F698-M732 HydrophobicContact CD1-CB 4.48Å; F698-M732 HydrophobicContact CD1-CG 3.92Å; F698-M732 HydrophobicContact CD1-SD 3.43Å; F698-M732 WeakPolarHBondContact CD1-SD 3.2Å; F698-M732 HydrophobicContact CD2-CB 3.87Å; F698-M732 HydrophobicContact CD2-CG 3.92Å; F698-M732 HydrophobicContact CD2-SD 4.48Å; F698-M732 HydrophobicContact CE1-CG 4.15Å; F698-M732 HydrophobicContact CE1-SD 3.89Å; F698-M732 HydrophobicContact CE2-CB 4.46Å; F698-M732 HydrophobicContact CE2-CG 4.15Å; F698-M732 HydrophobicContact CG-CB 3.87Å; F698-M732 HydrophobicContact CG-CG 3.8Å; F698-M732 HydrophobicContact CG-SD 3.76Å; F698-M732 HydrophobicContact CZ-CG 4.26Å; V715-M732 HydrophobicContact CB-SD 3.94Å; V715-M732 HydrophobicContact CG2-CE 4.38Å; V715-M732 HydrophobicContact CG2-SD 3.82Å; M732-M746 HydrophobicContact CE-CB 3.9Å; M732-L747 VanDerWaalsContact CE-C 3.42Å; M732-F748 HydrophobicContact CE-CB 4.15Å; M732-F748 HydrophobicContact CG-CB 3.95Å; M732-F748 HydrophobicContact CG-CD2 4.32Å; M732-F748 HydrophobicContact CG-CG 4.44Å; M732-F748 HydrophobicContact SD-CB 3.88Å; M732-F748 HydrophobicContact SD-CD2 4.08Å; M732-F748 HydrophobicContact SD-CG 4.46Å
733	A	83.2	Confident	82.6	Confident	45 Å²	45	66 Å²	66	37%	0.372	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-81	154.2	178	0	0	0	0	0	112.2	F652 Q731	F652-A733 VanDerWaalsContact CE1-O 3.32Å; F652-A733 WeakPolarHBondContact CE1-O 3.38Å; Q731-A733 PolarHBondContact O-N 2.85Å
734	G	81.3	Confident	82.8	Confident	26 Å²	26	66.6 Å²	66.6	27%	0.268	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-72.4	171.6	174	0	0	0	0	0	113.3	G736	G734-G736 VanDerWaalsContact C-N 3.25Å; G734-G736 PolarHBondContact O-N 2.92Å
735	D	80.9	Confident	83.2	Confident	25 Å²	25	65.5 Å²	65.5	13%	0.134	38%	0.381	C	S	.	.			trans	-86.7	21.5	-177.2	68.6	-43.3	0	0	0	114.2	M697 A699 R703 K737	M697-D735 HydrophobicContact CB-CB 3.74Å; M697-D735 HydrophobicContact CG-CB 3.9Å; A699-D735 HydrophobicContact CB-CB 4.19Å; R703-D735 IonicContact CZ-OD1 3.8Å; R703-D735 IonicContact CZ-OD2 3.85Å; R703-D735 IonicContact NH1-OD1 3.74Å; R703-D735 PolarHBondContact NH1-OD1 3.46Å; R703-D735 IonicContact NH1-OD2 3.15Å; R703-D735 PolarHBondContact NH1-OD2 2.79Å; R703-D735 IonicContact NH2-OD1 3.44Å; R703-D735 PolarHBondContact NH2-OD1 2.96Å; R703-D735 IonicContact NH2-OD2 2.73Å; D735-K737 PolarHBondContact O-N 3.48Å; D735-K737 VanDerWaalsContact O-N 3.1Å; D735-K737 VanDerWaalsContact OD2-CD 3.31Å; D735-K737 WeakPolarHBondContact OD2-CD 3.35Å; D735-K737 WeakPolarHBondContact OD2-CE 3.39Å; D735-K737 IonicContact OD2-NZ 2.68Å; D735-K737 PolarHBondContact OD2-NZ 3.1Å
736	G	72.2	Confident	83.8	Confident	83 Å²	83	59.8 Å²	59.8	86%	0.856	35%	0.35	S	S	*	.	S	Bend	trans	72.3	-6.7	-178.2	0	0	0	0	0	115.5	G734	G734-G736 VanDerWaalsContact C-N 3.25Å; G734-G736 PolarHBondContact O-N 2.92Å
737	K	76	Confident	84.7	Confident	140 Å²	140	54.7 Å²	54.7	61%	0.609	32%	0.319	S	S	*	.	S	Bend	trans	-85.9	177.8	169.1	-56.7	-178.6	-161.9	125.4	0	110.1	D735	D735-K737 PolarHBondContact O-N 3.48Å; D735-K737 VanDerWaalsContact O-N 3.1Å; D735-K737 VanDerWaalsContact OD2-CD 3.31Å; D735-K737 WeakPolarHBondContact OD2-CD 3.35Å; D735-K737 WeakPolarHBondContact OD2-CE 3.39Å; D735-K737 IonicContact OD2-NZ 2.68Å; D735-K737 PolarHBondContact OD2-NZ 3.1Å
738	D	78.4	Confident	85.7	Confident	123 Å²	123	53.2 Å²	53.2	66%	0.658	31%	0.306	S	S	*	.			trans	-61.6	142.4	162.8	-161.4	-14.5	0	0	0	109.7	R703 D740	R703-D738 PolarHBondContact NH2-O 2.68Å; D738-D740 WeakPolarHBondContact OD1-CB 3.47Å; D738-D740 PolarHBondContact OD1-N 3.03Å
739	T	86.3	Confident	86.6	Confident	34 Å²	34	47.6 Å²	47.6	21%	0.209	27%	0.27	C	S	.	.			trans	-124.2	6.9	-179.8	58	0	0	0	0	112.8	F652 A699 D741 I742	F652-T739 HydrophobicContact CB-CG2 4.06Å; A699-T739 HydrophobicContact CB-CG2 4.21Å; T739-D741 WeakPolarHBondContact CA-OD1 3.5Å; T739-D741 PolarHBondContact O-N 3.05Å; T739-D741 VanDerWaalsContact O-N 3.13Å; T739-I742 HydrophobicContact CG2-CD1 4.43Å; T739-I742 PolarHBondContact O-N 2.94Å; T739-I742 VanDerWaalsContact O-N 3.1Å
740	D	85.9	Confident	87.4	Confident	118 Å²	118	45.8 Å²	45.8	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.9	171.9	-105.5	6.4	0	0	0	112.6	D738 K743	D738-D740 WeakPolarHBondContact OD1-CB 3.47Å; D738-D740 PolarHBondContact OD1-N 3.03Å; D740-K743 WeakPolarHBondContact O-CE 3.44Å; D740-K743 PolarHBondContact O-NZ 2.89Å
741	D	89.3	Confident	88.1	Confident	74 Å²	74	43.8 Å²	43.8	40%	0.396	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.1	172.2	71.7	-53.4	0	0	0	113.5	R703 Q706 T739	R703-D741 WeakPolarHBondContact CD-OD2 3.46Å; R703-D741 WeakPolarHBondContact CG-OD2 3.43Å; R703-D741 IonicContact CZ-OD1 2.66Å; R703-D741 IonicContact CZ-OD2 3.46Å; R703-D741 IonicContact NE-OD1 3.18Å; R703-D741 PolarHBondContact NE-OD1 2.62Å; R703-D741 IonicContact NE-OD2 2.68Å; R703-D741 PolarHBondContact NE-OD2 2.78Å; R703-D741 IonicContact NH2-OD1 2.73Å; R703-D741 PolarHBondContact NH2-OD1 3.14Å; Q706-D741 PolarHBondContact NE2-O 2.78Å; T739-D741 WeakPolarHBondContact CA-OD1 3.5Å; T739-D741 PolarHBondContact O-N 3.05Å; T739-D741 VanDerWaalsContact O-N 3.13Å
742	I	92.8	Very high	88.6	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	26%	0.262	C	S	.	.			trans	-86.4	116.3	179	-52.2	168.2	0	0	0	108.9	F652 G653 A699 A702 R703 T739 I744	F652-I742 HydrophobicContact CB-CD1 4.4Å; F652-I742 HydrophobicContact CD2-CB 4.49Å; F652-I742 HydrophobicContact CD2-CD1 3.53Å; F652-I742 HydrophobicContact CD2-CG2 4.18Å; F652-I742 HydrophobicContact CE2-CD1 4.14Å; F652-I742 HydrophobicContact CG-CD1 4.17Å; G653-I742 WeakPolarHBondContact CA-O 3.36Å; A699-I742 HydrophobicContact CB-CD1 3.68Å; A699-I742 WeakPolarHBondContact O-CD1 3.44Å; A702-I742 HydrophobicContact CB-CD1 4.18Å; A702-I742 HydrophobicContact CB-CG2 3.97Å; R703-I742 HydrophobicContact CG-CD1 4.11Å; R703-I742 HydrophobicContact CG-CG1 3.79Å; T739-I742 HydrophobicContact CG2-CD1 4.43Å; T739-I742 PolarHBondContact O-N 2.94Å; T739-I742 VanDerWaalsContact O-N 3.1Å; I742-I744 HydrophobicContact CG2-CG1 4.21Å
743	K	92.9	Very high	88.9	Confident	128 Å²	128	46.3 Å²	46.3	56%	0.557	27%	0.265	S	S	*	.			trans	-115.3	-5.2	-176.4	-59.8	-50.5	-168.4	-162.7	0	114.4	D740	D740-K743 WeakPolarHBondContact O-CE 3.44Å; D740-K743 PolarHBondContact O-NZ 2.89Å
744	I	94.3	Very high	89.3	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.082	25%	0.247	C	C	.	.	S	Bend	trans	-90.3	151.4	174.7	61.3	169.1	0	0	0	112.2	G653 L654 I705 Q706 A710 I742 M746	G653-I744 CarbonylContact C-O 3.57Å; G653-I744 WeakPolarHBondContact CA-O 3.17Å; L654-I744 PolarHBondContact N-O 2.92Å; I705-I744 HydrophobicContact CD1-CD1 3.56Å; I705-I744 HydrophobicContact CG1-CD1 3.7Å; Q706-I744 HydrophobicContact CB-CD1 3.97Å; Q706-I744 HydrophobicContact CB-CG1 4.33Å; Q706-I744 HydrophobicContact CG-CG2 4.23Å; A710-I744 WeakPolarHBondContact O-CG2 3.36Å; I742-I744 HydrophobicContact CG2-CG1 4.21Å; I744-M746 HydrophobicContact CD1-SD 3.97Å; I744-M746 HydrophobicContact CG1-SD 4.28Å
745	P	94.8	Very high	89.9	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.019	25%	0.249	C	C	.	.			trans	-73.1	140.1	172.9	29.5	-34.3	0	0	0	111.4	L654 L656 T662 I711 G712 G713 L771	L654-P745 HydrophobicContact CB-CB 3.99Å; L654-P745 HydrophobicContact CB-CG 4.44Å; L654-P745 HydrophobicContact CD2-CG 4.46Å; L656-P745 HydrophobicContact CD1-CB 4.11Å; L656-P745 HydrophobicContact CD2-CB 3.9Å; L656-P745 HydrophobicContact CD2-CG 4.49Å; L656-P745 HydrophobicContact CG-CB 3.97Å; T662-P745 HydrophobicContact CG2-CG 3.88Å; I711-P745 WeakPolarHBondContact O-CD 3.5Å; G712-P745 WeakPolarHBondContact CA-O 3.36Å; G713-P745 PolarHBondContact N-O 3.38Å; P745-L771 HydrophobicContact CG-CD1 4.12Å
746	M	94.8	Very high	90.5	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.1	179.2	-66.1	-62.2	-59.9	0	0	110.5	A650 F652 A702 I705 G713 V715 M732 I744	A650-M746 HydrophobicContact CB-CB 3.83Å; A650-M746 WeakPolarHBondContact CB-O 3.39Å; A650-M746 PolarHBondContact N-O 2.74Å; F652-M746 HydrophobicContact CE2-CB 4.16Å; F652-M746 HydrophobicContact CE2-CG 3.94Å; A702-M746 HydrophobicContact CB-CE 3.92Å; A702-M746 HydrophobicContact CB-CG 3.78Å; A702-M746 HydrophobicContact CB-SD 3.76Å; I705-M746 HydrophobicContact CD1-CE 4.26Å; I705-M746 HydrophobicContact CD1-SD 3.85Å; G713-M746 VanDerWaalsContact CA-SD 3.59Å; G713-M746 WeakPolarHBondContact O-CA 3.42Å; V715-M746 HydrophobicContact CG2-CE 3.9Å; M732-M746 HydrophobicContact CE-CB 3.9Å; I744-M746 HydrophobicContact CD1-SD 3.97Å; I744-M746 HydrophobicContact CG1-SD 4.28Å
747	L	95.4	Very high	91.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.1	178.2	-69.2	-175.8	0	0	0	111.6	R630 V632 A647 L656 G713 I714 V715 M732 L771	R630-L747 HydrophobicContact CB-CD1 4.21Å; R630-L747 HydrophobicContact CB-CD2 3.51Å; R630-L747 HydrophobicContact CG-CD2 3.6Å; V632-L747 HydrophobicContact CG2-CD1 3.72Å; A647-L747 HydrophobicContact CB-CB 4.19Å; A647-L747 HydrophobicContact CB-CD1 4.19Å; A647-L747 HydrophobicContact CB-CD2 4.49Å; L656-L747 HydrophobicContact CD1-CD1 4.07Å; L656-L747 HydrophobicContact CD1-CD2 4.18Å; L656-L747 HydrophobicContact CD1-CG 4.21Å; G713-L747 PolarHBondContact O-N 2.63Å; I714-L747 CarbonylContact C-O 3.55Å; I714-L747 WeakPolarHBondContact CA-O 3.24Å; V715-L747 PolarHBondContact N-O 3.12Å; M732-L747 VanDerWaalsContact CE-C 3.42Å; L747-L771 HydrophobicContact CD1-CB 3.96Å; L747-L771 HydrophobicContact CD1-CD2 4.17Å
748	F	95.4	Very high	92.1	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.6	177.9	-177.9	-95.7	0	0	0	111.3	A647 G648 F698 V715 D717 F730 M732 F750	A647-F748 CarbonylContact C-O 3.58Å; A647-F748 WeakPolarHBondContact CA-O 3.21Å; A647-F748 WeakPolarHBondContact CB-O 3.22Å; G648-F748 PolarHBondContact N-O 2.93Å; G648-F748 PolarHBondContact O-N 3.12Å; F698-F748 HydrophobicContact CE1-CD2 4.27Å; F698-F748 HydrophobicContact CE1-CE2 4.34Å; F698-F748 HydrophobicContact CZ-CE2 4.46Å; V715-F748 HydrophobicContact CB-CD2 4.26Å; V715-F748 HydrophobicContact CG1-CD2 4.42Å; V715-F748 CarbonylContact O-C 3.4Å; V715-F748 WeakPolarHBondContact O-CA 3.3Å; D717-F748 HydrophobicContact CB-CE1 4.35Å; D717-F748 HydrophobicContact CB-CE2 4.25Å; D717-F748 HydrophobicContact CB-CZ 3.58Å; F730-F748 HydrophobicContact CD1-CE1 4.5Å; F730-F748 AromaticContact CE1-CD1 3.98Å; F730-F748 HydrophobicContact CE1-CD1 3.98Å; F730-F748 AromaticContact CE1-CE1 3.44Å; F730-F748 HydrophobicContact CE1-CE1 3.44Å; F730-F748 VanDerWaalsContact CE1-CE1 3.44Å; F730-F748 AromaticContact CE1-CZ 3.74Å; F730-F748 HydrophobicContact CE1-CZ 3.74Å; F730-F748 HydrophobicContact CE2-CZ 4.49Å; F730-F748 AromaticContact CZ-CD1 3.86Å; F730-F748 HydrophobicContact CZ-CD1 3.86Å; F730-F748 HydrophobicContact CZ-CD2 4.1Å; F730-F748 AromaticContact CZ-CE1 3.47Å; F730-F748 HydrophobicContact CZ-CE1 3.47Å; F730-F748 VanDerWaalsContact CZ-CE1 3.47Å; F730-F748 AromaticContact CZ-CE2 3.73Å; F730-F748 HydrophobicContact CZ-CE2 3.73Å; F730-F748 HydrophobicContact CZ-CG 4.15Å; F730-F748 AromaticContact CZ-CZ 3.39Å; F730-F748 HydrophobicContact CZ-CZ 3.39Å; M732-F748 HydrophobicContact CE-CB 4.15Å; M732-F748 HydrophobicContact CG-CB 3.95Å; M732-F748 HydrophobicContact CG-CD2 4.32Å; M732-F748 HydrophobicContact CG-CG 4.44Å; M732-F748 HydrophobicContact SD-CB 3.88Å; M732-F748 HydrophobicContact SD-CD2 4.08Å; M732-F748 HydrophobicContact SD-CG 4.46Å; F748-F750 AromaticContact CE1-CD1 3.75Å; F748-F750 HydrophobicContact CE1-CD1 3.75Å; F748-F750 AromaticContact CE1-CE1 3.91Å; F748-F750 HydrophobicContact CE1-CE1 3.91Å; F748-F750 HydrophobicContact CE1-CG 4.1Å; F748-F750 HydrophobicContact CE1-CZ 4.38Å; F748-F750 HydrophobicContact CZ-CD1 4.36Å
749	L	96	Very high	92.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.1	169.4	-67.2	-179.9	0	0	0	110.2	V632 L645 T646 A647 I714 V715 I716 D717 E753 I757	V632-L749 HydrophobicContact CG2-CD2 4.41Å; L645-L749 HydrophobicContact CB-CD2 4.03Å; L645-L749 HydrophobicContact CD1-CD1 4.19Å; T646-L749 WeakPolarHBondContact O-CD2 3.48Å; A647-L749 HydrophobicContact CB-CD2 3.8Å; I714-L749 HydrophobicContact CG2-CB 4.39Å; I714-L749 HydrophobicContact CG2-CD1 3.71Å; I714-L749 HydrophobicContact CG2-CG 3.85Å; V715-L749 PolarHBondContact O-N 2.61Å; I716-L749 WeakPolarHBondContact CA-O 3.3Å; D717-L749 PolarHBondContact N-O 3.2Å; L749-E753 HydrophobicContact CB-CB 4.37Å; L749-E753 HydrophobicContact CD2-CB 4.16Å; L749-I757 HydrophobicContact CD1-CD1 3.5Å; L749-I757 HydrophobicContact CD1-CG1 4.36Å
750	F	94.8	Very high	93	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.044	18%	0.176	C	C	.	.			trans	-68.4	164.9	166.4	-72.2	-68.6	0	0	0	111.1	D717 S724 A727 L729 F730 F748 K752 E753 G754	D717-F750 HydrophobicContact CB-CD1 4.46Å; S724-F750 VanDerWaalsContact N-CD2 3.31Å; A727-F750 HydrophobicContact CB-CE1 4.07Å; A727-F750 HydrophobicContact CB-CE2 4.29Å; A727-F750 HydrophobicContact CB-CZ 3.73Å; L729-F750 HydrophobicContact CD2-CD2 4.45Å; L729-F750 HydrophobicContact CD2-CE2 4.02Å; F730-F750 HydrophobicContact CD1-CZ 4.25Å; F730-F750 HydrophobicContact CE1-CE1 4Å; F730-F750 HydrophobicContact CE1-CZ 4.16Å; F748-F750 AromaticContact CE1-CD1 3.75Å; F748-F750 HydrophobicContact CE1-CD1 3.75Å; F748-F750 AromaticContact CE1-CE1 3.91Å; F748-F750 HydrophobicContact CE1-CE1 3.91Å; F748-F750 HydrophobicContact CE1-CG 4.1Å; F748-F750 HydrophobicContact CE1-CZ 4.38Å; F748-F750 HydrophobicContact CZ-CD1 4.36Å; F750-K752 PolarHBondContact O-N 3.14Å; F750-E753 WeakPolarHBondContact CB-OE2 3.4Å; F750-E753 PolarHBondContact O-N 2.96Å; F750-G754 PolarHBondContact O-N 3.14Å
751	S	93.6	Very high	93.2	Very high	25 Å²	25	31.2 Å²	31.2	18%	0.175	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-43.7	-168.8	-178.5	0	0	0	0	113	N719 S722 G754 S755	N719-S751 WeakPolarHBondContact O-CB 3.41Å; S722-S751 PolarHBondContact O-N 3.5Å; S722-S751 WeakPolarHBondContact OG-CB 3.29Å; S722-S751 PolarHBondContact OG-N 2.91Å; S751-G754 PolarHBondContact O-N 3.42Å; S751-S755 PolarHBondContact O-N 3.2Å
752	K	93.6	Very high	93.1	Very high	98 Å²	98	36.9 Å²	36.9	43%	0.426	18%	0.175	S	C	.	.	H	α-helix	trans	-66	-40	179	-178	-162.1	176.3	-172.1	0	113	S722 S723 D725 F750 S755	S722-K752 VanDerWaalsContact O-CB 3.29Å; S722-K752 WeakPolarHBondContact O-CB 3.02Å; S722-K752 PolarHBondContact O-N 2.98Å; S723-K752 VanDerWaalsContact CB-CD 3.49Å; S723-K752 VanDerWaalsContact OG-CD 3.32Å; S723-K752 WeakPolarHBondContact OG-CD 3.49Å; D725-K752 IonicContact OD2-NZ 2.81Å; D725-K752 PolarHBondContact OD2-NZ 3.48Å; F750-K752 PolarHBondContact O-N 3.14Å; K752-S755 PolarHBondContact O-OG 2.85Å; K752-S755 VanDerWaalsContact O-OG 3.1Å
753	E	94.1	Very high	92.8	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-74.2	-36.2	176.9	-68.9	81.4	170.4	0	0	111	L645 S723 S724 L749 F750 I756	L645-E753 HydrophobicContact CB-CB 4.47Å; L645-E753 WeakPolarHBondContact CD1-O 3.36Å; L645-E753 HydrophobicContact CD2-CB 4.24Å; L645-E753 HydrophobicContact CD2-CG 4.47Å; S723-E753 WeakPolarHBondContact CA-OE2 3.44Å; S723-E753 PolarHBondContact OG-OE1 3.48Å; S724-E753 WeakPolarHBondContact CB-OE1 3.43Å; S724-E753 PolarHBondContact N-OE1 3.42Å; S724-E753 PolarHBondContact OG-OE1 2.73Å; L749-E753 HydrophobicContact CB-CB 4.37Å; L749-E753 HydrophobicContact CD2-CB 4.16Å; F750-E753 WeakPolarHBondContact CB-OE2 3.4Å; F750-E753 PolarHBondContact O-N 2.96Å; E753-I756 PolarHBondContact O-N 3.13Å
754	G	92.6	Very high	92.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-37.1	174.7	0	0	0	0	0	113.4	F750 S751 I756 I757 L758	F750-G754 PolarHBondContact O-N 3.14Å; S751-G754 PolarHBondContact O-N 3.42Å; G754-I756 PolarHBondContact O-N 2.93Å; G754-I757 PolarHBondContact O-N 3.47Å; G754-I757 VanDerWaalsContact O-N 3.11Å; G754-L758 PolarHBondContact O-N 3.16Å; G754-L758 VanDerWaalsContact O-N 3.13Å
755	S	93.1	Very high	91.6	Very high	45 Å²	45	48.9 Å²	48.9	32%	0.315	23%	0.233	S	C	.	.	H	α-helix	trans	-60.6	-35	178.4	81.3	0	0	0	0	112.2	S751 K752 I757 L758 D759	S751-S755 PolarHBondContact O-N 3.2Å; K752-S755 PolarHBondContact O-OG 2.85Å; K752-S755 VanDerWaalsContact O-OG 3.1Å; S755-I757 VanDerWaalsContact C-N 3.27Å; S755-I757 PolarHBondContact O-N 3.03Å; S755-L758 PolarHBondContact O-N 3.32Å; S755-L758 VanDerWaalsContact O-N 3.09Å; S755-D759 WeakPolarHBondContact O-CB 3.4Å; S755-D759 PolarHBondContact O-N 3.35Å
756	I	93.4	Very high	91.1	Very high	68 Å²	68	54.9 Å²	54.9	35%	0.349	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-35.2	177.5	-62.2	167.1	0	0	0	111.7	I634 V643 L645 E753 G754 A760	I634-I756 HydrophobicContact CD1-CG2 4.31Å; V643-I756 HydrophobicContact CG1-CG2 3.91Å; L645-I756 HydrophobicContact CD2-CB 4.25Å; L645-I756 HydrophobicContact CD2-CD1 3.74Å; L645-I756 HydrophobicContact CD2-CG2 4.3Å; E753-I756 PolarHBondContact O-N 3.13Å; G754-I756 PolarHBondContact O-N 2.93Å; I756-A760 WeakPolarHBondContact O-CB 3.08Å; I756-A760 PolarHBondContact O-N 3.45Å; I756-A760 VanDerWaalsContact O-N 3.17Å
757	I	92.2	Very high	91	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-74.4	-42.2	173.8	-53.4	-174.7	0	0	0	110.6	V632 I634 L645 V666 L690 I714 L749 G754 S755 D759 A760 I761	V632-I757 HydrophobicContact CG1-CD1 4Å; I634-I757 HydrophobicContact CD1-CG1 4.41Å; L645-I757 HydrophobicContact CD1-CD1 3.73Å; L645-I757 HydrophobicContact CD1-CG1 3.45Å; L645-I757 VanDerWaalsContact CD1-CG1 3.45Å; V666-I757 HydrophobicContact CG1-CG2 4.19Å; L690-I757 HydrophobicContact CD1-CG2 4.05Å; L690-I757 HydrophobicContact CD2-CG2 4.37Å; I714-I757 HydrophobicContact CD1-CD1 3.99Å; L749-I757 HydrophobicContact CD1-CD1 3.5Å; L749-I757 HydrophobicContact CD1-CG1 4.36Å; G754-I757 PolarHBondContact O-N 3.47Å; G754-I757 VanDerWaalsContact O-N 3.11Å; S755-I757 VanDerWaalsContact C-N 3.27Å; S755-I757 PolarHBondContact O-N 3.03Å; I757-D759 VanDerWaalsContact C-N 3.34Å; I757-D759 PolarHBondContact O-N 3.12Å; I757-A760 PolarHBondContact O-N 2.74Å; I757-I761 HydrophobicContact CG2-CD1 3.9Å; I757-I761 VanDerWaalsContact O-CG1 3.3Å; I757-I761 WeakPolarHBondContact O-CG1 3.26Å; I757-I761 PolarHBondContact O-N 2.82Å
758	L	91.4	Very high	91	Very high	41 Å²	41	55.9 Å²	55.9	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-38.4	-179.9	-66.5	169.8	0	0	0	112.4	L690 I716 G754 S755 I761 R762	L690-L758 HydrophobicContact CD1-CD2 3.69Å; L690-L758 HydrophobicContact CD1-CG 4.49Å; I716-L758 HydrophobicContact CD1-CD1 4.13Å; I716-L758 HydrophobicContact CD1-CD2 4.38Å; I716-L758 HydrophobicContact CD1-CG 4.11Å; G754-L758 PolarHBondContact O-N 3.16Å; G754-L758 VanDerWaalsContact O-N 3.13Å; S755-L758 PolarHBondContact O-N 3.32Å; S755-L758 VanDerWaalsContact O-N 3.09Å; L758-I761 PolarHBondContact O-N 3.25Å; L758-R762 WeakPolarHBondContact O-CG 3.16Å; L758-R762 PolarHBondContact O-N 3.39Å; L758-R762 VanDerWaalsContact O-N 3.15Å
759	D	92	Very high	91	Very high	64 Å²	64	55.8 Å²	55.8	34%	0.342	27%	0.265	S	S	.	.	H	α-helix	trans	-72.5	-39.8	175.6	-67.7	-35.6	0	0	0	111.7	S755 I757 I761 R762 E763	S755-D759 WeakPolarHBondContact O-CB 3.4Å; S755-D759 PolarHBondContact O-N 3.35Å; I757-D759 VanDerWaalsContact C-N 3.34Å; I757-D759 PolarHBondContact O-N 3.12Å; D759-I761 PolarHBondContact O-N 2.79Å; D759-R762 WeakPolarHBondContact O-CB 3.49Å; D759-R762 PolarHBondContact O-N 2.9Å; D759-R762 IonicContact OD1-CZ 2.71Å; D759-R762 IonicContact OD1-NE 2.89Å; D759-R762 IonicContact OD1-NH1 3.4Å; D759-R762 PolarHBondContact OD1-NH1 3.21Å; D759-E763 PolarHBondContact O-N 3.06Å
760	A	90.5	Very high	90.9	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-36.5	170.8	0	0	0	0	0	112.6	I634 F639 I756 I757 E763 H764 V767	I634-A760 HydrophobicContact CD1-CB 4.23Å; F639-A760 HydrophobicContact CE2-CB 3.72Å; F639-A760 HydrophobicContact CZ-CB 4Å; I756-A760 WeakPolarHBondContact O-CB 3.08Å; I756-A760 PolarHBondContact O-N 3.45Å; I756-A760 VanDerWaalsContact O-N 3.17Å; I757-A760 PolarHBondContact O-N 2.74Å; A760-E763 PolarHBondContact O-N 3.25Å; A760-H764 PolarHBondContact O-N 2.9Å; A760-V767 VanDerWaalsContact C-CG2 3.41Å; A760-V767 HydrophobicContact CB-CG1 4.38Å; A760-V767 HydrophobicContact CB-CG2 3.87Å; A760-V767 VanDerWaalsContact O-CG2 3.26Å; A760-V767 WeakPolarHBondContact O-CG2 3.09Å
761	I	90.1	Very high	90.8	Very high	56 Å²	56	55.7 Å²	55.7	29%	0.287	27%	0.265	S	S	.	.	H	α-helix	trans	-74.3	-26.1	177.1	-68.2	166.4	0	0	0	112.1	V666 L690 I757 L758 D759 V767	V666-I761 HydrophobicContact CB-CD1 4.05Å; V666-I761 HydrophobicContact CG1-CD1 3.59Å; L690-I761 HydrophobicContact CD1-CD1 3.63Å; I757-I761 HydrophobicContact CG2-CD1 3.9Å; I757-I761 VanDerWaalsContact O-CG1 3.3Å; I757-I761 WeakPolarHBondContact O-CG1 3.26Å; I757-I761 PolarHBondContact O-N 2.82Å; L758-I761 PolarHBondContact O-N 3.25Å; D759-I761 PolarHBondContact O-N 2.79Å; I761-V767 HydrophobicContact CB-CG2 4.35Å; I761-V767 HydrophobicContact CG1-CB 3.81Å; I761-V767 HydrophobicContact CG1-CG1 4.4Å; I761-V767 HydrophobicContact CG1-CG2 3.65Å
762	R	87.9	Confident	90.8	Very high	193 Å²	193	54.5 Å²	54.5	73%	0.728	26%	0.257	S	S	*	.	H	α-helix	trans	-75	-35.9	172.3	-70.4	162.6	175.2	166.1	-4.1	111.9	L758 D759	L758-R762 WeakPolarHBondContact O-CG 3.16Å; L758-R762 PolarHBondContact O-N 3.39Å; L758-R762 VanDerWaalsContact O-N 3.15Å; D759-R762 WeakPolarHBondContact O-CB 3.49Å; D759-R762 PolarHBondContact O-N 2.9Å; D759-R762 IonicContact OD1-CZ 2.71Å; D759-R762 IonicContact OD1-NE 2.89Å; D759-R762 IonicContact OD1-NH1 3.4Å; D759-R762 PolarHBondContact OD1-NH1 3.21Å
763	E	86.6	Confident	90.4	Very high	144 Å²	144	51.6 Å²	51.6	67%	0.673	25%	0.246	S	C	*	.	H	α-helix	trans	-87.6	-25.7	-177	-66.6	-172.6	167.5	0	0	113.8	D759 A760	D759-E763 PolarHBondContact O-N 3.06Å; A760-E763 PolarHBondContact O-N 3.25Å
764	H	86.9	Confident	90	Very high	54 Å²	54	57.7 Å²	57.7	25%	0.25	27%	0.272	C	S	.	.			trans	-135.5	130	-174.4	-52.8	-29.1	0	0	0	112.7	P638 F639 A760 Q766	P638-H764 VanDerWaalsContact CD-CD2 3.42Å; P638-H764 WeakPolarHBondContact CD-CD2 3.4Å; P638-H764 WeakPolarHBondContact CD-NE2 3.4Å; F639-H764 AromaticContact CE2-CD2 3.79Å; A760-H764 PolarHBondContact O-N 2.9Å; H764-Q766 PolarHBondContact O-N 2.98Å; H764-Q766 VanDerWaalsContact O-N 3.11Å
765	E	74.6	Confident	89.6	Confident	202 Å²	202	60.3 Å²	60.3	94%	0.944	29%	0.293	S	S	*	.	S	Bend	trans	-60.5	-25.2	-173.5	-60.2	-175.3	150.6	0	0	114.8
766	Q	84.8	Confident	89	Confident	130 Å²	130	61.1 Å²	61.1	61%	0.607	29%	0.289	S	S	*	.			trans	-138.8	100.1	179.9	-65.3	-170.5	4.4	0	0	111	F665 H764	F665-Q766 HydrophobicContact CD1-CB 3.97Å; F665-Q766 HydrophobicContact CE1-CB 3.82Å; H764-Q766 PolarHBondContact O-N 2.98Å; H764-Q766 VanDerWaalsContact O-N 3.11Å
767	V	92.6	Very high	88.1	Confident	4 Å²	4	64 Å²	64	2%	0.024	31%	0.306	C	S	.	.			trans	-92.7	126.3	171.3	179.1	0	0	0	0	109.6	I634 F665 V666 A760 I761 V769	I634-V767 HydrophobicContact CG2-CG1 3.81Å; F665-V767 CarbonylContact C-O 3.5Å; F665-V767 WeakPolarHBondContact CA-O 3.43Å; V666-V767 HydrophobicContact CG2-CG1 4.37Å; V666-V767 PolarHBondContact N-O 2.81Å; A760-V767 VanDerWaalsContact C-CG2 3.41Å; A760-V767 HydrophobicContact CB-CG1 4.38Å; A760-V767 HydrophobicContact CB-CG2 3.87Å; A760-V767 VanDerWaalsContact O-CG2 3.26Å; A760-V767 WeakPolarHBondContact O-CG2 3.09Å; I761-V767 HydrophobicContact CB-CG2 4.35Å; I761-V767 HydrophobicContact CG1-CB 3.81Å; I761-V767 HydrophobicContact CG1-CG1 4.4Å; I761-V767 HydrophobicContact CG1-CG2 3.65Å; V767-V769 HydrophobicContact CG1-CG1 4.31Å
768	E	94.1	Very high	87	Confident	24 Å²	24	69.6 Å²	69.6	11%	0.112	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	134.5	177.5	-163.3	-173.7	-156.8	0	0	110.2	I635 S636 R663 G664 F665	I635-E768 HydrophobicContact CD1-CG 4.01Å; I635-E768 WeakPolarHBondContact CD1-OE2 3.47Å; I635-E768 HydrophobicContact CG1-CB 4.02Å; I635-E768 HydrophobicContact CG1-CG 3.96Å; I635-E768 WeakPolarHBondContact CG1-O 3.19Å; I635-E768 PolarHBondContact N-O 2.85Å; S636-E768 PolarHBondContact N-O 2.85Å; S636-E768 PolarHBondContact OG-N 3.25Å; R663-E768 WeakPolarHBondContact CG-OE1 3.46Å; R663-E768 IonicContact CZ-OE1 3.77Å; R663-E768 IonicContact CZ-OE2 2.75Å; R663-E768 VanDerWaalsContact NE-CD 3.27Å; R663-E768 IonicContact NE-OE1 3.18Å; R663-E768 PolarHBondContact NE-OE1 3.46Å; R663-E768 IonicContact NE-OE2 2.74Å; R663-E768 PolarHBondContact NE-OE2 2.9Å; R663-E768 IonicContact NH2-OE1 2.74Å; R663-E768 PolarHBondContact NH2-OE1 3.45Å; R663-E768 IonicContact NH2-OE2 2.71Å; R663-E768 PolarHBondContact NH2-OE2 3.48Å; G664-E768 WeakPolarHBondContact O-CG 3.12Å; F665-E768 HydrophobicContact CD1-CB 3.87Å; F665-E768 HydrophobicContact CD1-CG 4.21Å; F665-E768 HydrophobicContact CE1-CB 3.89Å; F665-E768 HydrophobicContact CE1-CG 4.26Å
769	V	95.6	Very high	85.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156	-180	-57.8	0	0	0	0	113.1	V632 Q633 I634 R663 G664 V666 I688 I714 V767 L771	V632-V769 HydrophobicContact CG1-CB 4.01Å; V632-V769 HydrophobicContact CG1-CG1 4.21Å; V632-V769 HydrophobicContact CG1-CG2 4.35Å; Q633-V769 CarbonylContact O-C 3.55Å; Q633-V769 WeakPolarHBondContact O-CA 3.49Å; Q633-V769 WeakPolarHBondContact O-CB 3.5Å; I634-V769 HydrophobicContact CG1-CG1 4.19Å; R663-V769 WeakPolarHBondContact CA-O 3.12Å; G664-V769 PolarHBondContact N-O 2.06Å; G664-V769 PolarHBondContact O-N 2.81Å; V666-V769 HydrophobicContact CG2-CB 4.12Å; V666-V769 HydrophobicContact CG2-CG1 3.61Å; V666-V769 HydrophobicContact CG2-CG2 3.5Å; V666-V769 VanDerWaalsContact CG2-CG2 3.5Å; I688-V769 HydrophobicContact CB-CG2 4.48Å; I688-V769 HydrophobicContact CD1-CG2 3.58Å; I688-V769 HydrophobicContact CG2-CG2 4.32Å; I714-V769 HydrophobicContact CD1-CG2 4.27Å; V767-V769 HydrophobicContact CG1-CG1 4.31Å; V769-L771 HydrophobicContact CG2-CD2 4.09Å
770	L	93.9	Very high	84.3	Confident	7 Å²	7	69.6 Å²	69.6	4%	0.037	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.3	172.9	-172.8	69.9	0	0	0	109.2	V632 Q633 I635 E661 R663 R776	V632-L770 WeakPolarHBondContact CA-O 3.46Å; Q633-L770 HydrophobicContact CB-CB 4.41Å; Q633-L770 PolarHBondContact N-O 3.03Å; Q633-L770 PolarHBondContact O-N 3.28Å; I635-L770 HydrophobicContact CG2-CB 4.08Å; E661-L770 HydrophobicContact CB-CD1 3.72Å; E661-L770 HydrophobicContact CB-CG 4.28Å; R663-L770 HydrophobicContact CB-CD1 4.04Å; L770-R776 HydrophobicContact CD2-CB 4.18Å
771	L	94.1	Very high	83.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.4	173.8	-42.5	-179.8	0	0	0	108.7	V632 L656 E661 T662 I688 I714 P745 L747 V769	V632-L771 HydrophobicContact CB-CD2 4.5Å; V632-L771 HydrophobicContact CG1-CD2 4.12Å; V632-L771 HydrophobicContact CG2-CD2 3.87Å; L656-L771 HydrophobicContact CD1-CB 3.98Å; E661-L771 WeakPolarHBondContact CA-O 3.46Å; T662-L771 PolarHBondContact N-O 3.38Å; T662-L771 PolarHBondContact O-N 2.94Å; I688-L771 HydrophobicContact CD1-CD1 3.94Å; I688-L771 HydrophobicContact CD1-CD2 4.24Å; I688-L771 HydrophobicContact CD1-CG 3.88Å; I688-L771 HydrophobicContact CG1-CD1 4.33Å; I688-L771 HydrophobicContact CG2-CD1 4.27Å; I714-L771 HydrophobicContact CD1-CD2 3.97Å; I714-L771 HydrophobicContact CG1-CD2 4.09Å; P745-L771 HydrophobicContact CG-CD1 4.12Å; L747-L771 HydrophobicContact CD1-CB 3.96Å; L747-L771 HydrophobicContact CD1-CD2 4.17Å; V769-L771 HydrophobicContact CG2-CD2 4.09Å
772	S	91.8	Very high	81.9	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.007	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.3	-172.7	61.1	0	0	0	0	114.1	A631 K774	A631-S772 PolarHBondContact N-O 3.32Å; A631-S772 VanDerWaalsContact N-O 3.15Å; A631-S772 PolarHBondContact O-N 2.87Å; A631-S772 VanDerWaalsContact O-N 3.13Å; S772-K774 VanDerWaalsContact C-N 3.25Å; S772-K774 WeakPolarHBondContact CB-O 3.25Å; S772-K774 PolarHBondContact O-N 3.07Å; S772-K774 PolarHBondContact OG-O 3.08Å
773	D	86.8	Confident	80.3	Confident	37 Å²	37	71.2 Å²	71.2	20%	0.198	36%	0.357	C	S	.	.	S	Bend	trans	-55.5	-41.9	171.5	-179	66.3	0	0	0	111.7	P629 R630 S657	P629-D773 VanDerWaalsContact O-O 3.11Å; R630-D773 IonicContact CZ-OD1 3.31Å; R630-D773 VanDerWaalsContact CZ-OD1 3.24Å; R630-D773 IonicContact NH1-OD1 3.93Å; R630-D773 PolarHBondContact NH1-OD1 3.33Å; R630-D773 IonicContact NH2-OD1 3.11Å; R630-D773 PolarHBondContact NH2-OD1 2.95Å; S657-D773 WeakPolarHBondContact CB-OD1 3.37Å
774	K	85.1	Confident	78.6	Confident	140 Å²	140	68.5 Å²	68.5	61%	0.609	35%	0.347	S	S	*	.	S	Bend	trans	-147.8	156.7	-177.5	-72	167.6	-169.6	112	0	110.1	S772 R776	S772-K774 VanDerWaalsContact C-N 3.25Å; S772-K774 WeakPolarHBondContact CB-O 3.25Å; S772-K774 PolarHBondContact O-N 3.07Å; S772-K774 PolarHBondContact OG-O 3.08Å; K774-R776 PolarHBondContact O-N 3.49Å
775	A	83.1	Confident	76.5	Confident	54 Å²	54	71.6 Å²	71.6	45%	0.446	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-59.7	125.9	175.5	0	0	0	0	0	111.2	A631 V644	A631-A775 HydrophobicContact CB-CB 4.11Å; V644-A775 HydrophobicContact CG1-CB 3.54Å; V644-A775 HydrophobicContact CG2-CB 4.26Å
776	R	80.5	Confident	74.8	Confident	62 Å²	62	70.1 Å²	70.1	23%	0.234	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-84.4	142.2	179.7	-178.3	169.1	162.7	-171.3	-6.7	110.6	Q633 E661 L770 K774 R778 A780 I781 D784	Q633-R776 PolarHBondContact NE2-O 2.74Å; Q633-R776 VanDerWaalsContact NE2-O 3.07Å; E661-R776 VanDerWaalsContact OE1-CD 3.29Å; E661-R776 WeakPolarHBondContact OE1-CD 3.29Å; E661-R776 WeakPolarHBondContact OE2-CD 3.28Å; E661-R776 IonicContact OE2-CZ 3.86Å; E661-R776 IonicContact OE2-NE 3.21Å; E661-R776 IonicContact OE2-NH1 3.39Å; E661-R776 PolarHBondContact OE2-NH1 2.99Å; L770-R776 HydrophobicContact CD2-CB 4.18Å; K774-R776 PolarHBondContact O-N 3.49Å; R776-R778 PolarHBondContact O-N 3.4Å; R776-A780 HydrophobicContact CG-CB 4.34Å; R776-A780 PolarHBondContact NH2-O 3.2Å; R776-I781 HydrophobicContact CB-CD1 4.31Å; R776-I781 HydrophobicContact CB-CG1 4.21Å; R776-I781 HydrophobicContact CG-CG1 3.97Å; R776-D784 IonicContact CZ-OD2 2.83Å; R776-D784 VanDerWaalsContact CZ-OD2 3.31Å; R776-D784 IonicContact NH1-OD2 2.83Å; R776-D784 PolarHBondContact NH1-OD2 3.33Å; R776-D784 VanDerWaalsContact NH2-CG 3.3Å; R776-D784 IonicContact NH2-OD1 3.79Å; R776-D784 IonicContact NH2-OD2 3.24Å; R776-D784 PolarHBondContact NH2-OD2 3.39Å
777	D	74.8	Confident	72.5	Confident	129 Å²	129	72.4 Å²	72.4	69%	0.69	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-57.3	130.6	179.4	-84	-45.4	0	0	0	111.8	A779 A780 I781	D777-A779 PolarHBondContact O-N 3.49Å; D777-A779 VanDerWaalsContact O-N 3.11Å; D777-A780 HydrophobicContact CB-CB 4.21Å; D777-A780 WeakPolarHBondContact O-CA 3.4Å; D777-A780 WeakPolarHBondContact O-CB 3.35Å; D777-A780 PolarHBondContact O-N 3.14Å; D777-I781 PolarHBondContact O-N 3.38Å
778	R	69.6	Low	69.6	Low	118 Å²	118	81.4 Å²	81.4	45%	0.445	42%	0.419	S	S	.	.	H	α-helix	trans	-54.6	-32.8	177.2	177.4	171.7	168.2	-140.3	-9.5	113.2	R776 A780 L782	R776-R778 PolarHBondContact O-N 3.4Å; R778-A780 VanDerWaalsContact C-N 3.27Å; R778-A780 PolarHBondContact O-N 3.37Å; R778-L782 HydrophobicContact CG-CD1 4.07Å; R778-L782 WeakPolarHBondContact O-CG 3.39Å; R778-L782 PolarHBondContact O-N 3.08Å
779	A	63.2	Low	66.4	Low	68 Å²	68	87.7 Å²	87.7	56%	0.562	45%	0.453	S	S	*	.	H	α-helix	trans	-76.9	-8.2	176	0	0	0	0	0	114.4	D777 K783	D777-A779 PolarHBondContact O-N 3.49Å; D777-A779 VanDerWaalsContact O-N 3.11Å; A779-K783 WeakPolarHBondContact O-CD 3.35Å; A779-K783 WeakPolarHBondContact O-CE 3.49Å; A779-K783 WeakPolarHBondContact O-CG 3.4Å
780	A	64.4	Low	63.4	Low	36 Å²	36	96.3 Å²	96.3	30%	0.298	49%	0.494	S	S	.	.	H	α-helix	trans	-103.5	-25.6	171.4	0	0	0	0	0	112.3	R776 D777 R778	R776-A780 HydrophobicContact CG-CB 4.34Å; R776-A780 PolarHBondContact NH2-O 3.2Å; D777-A780 HydrophobicContact CB-CB 4.21Å; D777-A780 WeakPolarHBondContact O-CA 3.4Å; D777-A780 WeakPolarHBondContact O-CB 3.35Å; D777-A780 PolarHBondContact O-N 3.14Å; R778-A780 VanDerWaalsContact C-N 3.27Å; R778-A780 PolarHBondContact O-N 3.37Å
781	I	67.8	Low	60.3	Low	24 Å²	24	104 Å²	104	12%	0.123	54%	0.535	C	S	.	.	H	α-helix	trans	-68.4	-46	170.6	-63.1	170.9	0	0	0	109.9	I635 R776 D777 K783	I635-I781 HydrophobicContact CB-CG2 4.21Å; I635-I781 HydrophobicContact CG2-CD1 4.21Å; I635-I781 HydrophobicContact CG2-CG2 3.89Å; R776-I781 HydrophobicContact CB-CD1 4.31Å; R776-I781 HydrophobicContact CB-CG1 4.21Å; R776-I781 HydrophobicContact CG-CG1 3.97Å; D777-I781 PolarHBondContact O-N 3.38Å; I781-K783 PolarHBondContact O-N 3.17Å
782	L	61.6	Low	57	Low	101 Å²	101	112.3 Å²	112.3	53%	0.529	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	22.8	176.6	-65.6	169.1	0	0	0	114.1	F640 R778	F640-L782 HydrophobicContact CB-CD2 4.46Å; F640-L782 HydrophobicContact CD1-CD2 4.07Å; R778-L782 HydrophobicContact CG-CD1 4.07Å; R778-L782 WeakPolarHBondContact O-CG 3.39Å; R778-L782 PolarHBondContact O-N 3.08Å
783	K	53.8	Low	54.6	Low	161 Å²	161	116.9 Å²	116.9	70%	0.7	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134	-3.5	-177.8	-76.1	-172.7	-173.9	176.1	0	115.1	A779 I781 P785	A779-K783 WeakPolarHBondContact O-CD 3.35Å; A779-K783 WeakPolarHBondContact O-CE 3.49Å; A779-K783 WeakPolarHBondContact O-CG 3.4Å; I781-K783 PolarHBondContact O-N 3.17Å; K783-P785 WeakPolarHBondContact O-CD 3.42Å
784	D	51.7	Low	51.7	Low	87 Å²	87	120.5 Å²	120.5	47%	0.465	63%	0.632	S	S	.	*			trans	-81.1	114.3	169.3	-84.8	-26.6	0	0	0	109.4	R776 E786	R776-D784 IonicContact CZ-OD2 2.83Å; R776-D784 VanDerWaalsContact CZ-OD2 3.31Å; R776-D784 IonicContact NH1-OD2 2.83Å; R776-D784 PolarHBondContact NH1-OD2 3.33Å; R776-D784 VanDerWaalsContact NH2-CG 3.3Å; R776-D784 IonicContact NH2-OD1 3.79Å; R776-D784 IonicContact NH2-OD2 3.24Å; R776-D784 PolarHBondContact NH2-OD2 3.39Å; D784-E786 PolarHBondContact O-N 3.03Å
785	P	43.4	Very low	48.8	Very low	119 Å²	119	119 Å²	119	77%	0.773	64%	0.638	S	S	*	*			trans	-97.6	82.7	-172.6	36.8	-28.9	0	0	0	111.4	K783	K783-P785 WeakPolarHBondContact O-CD 3.42Å
786	E	38.7	Very low	46.1	Very low	170 Å²	170	124.4 Å²	124.4	79%	0.794	66%	0.655	S	S	*	*			trans	-116.3	49.2	165.8	-69.5	-172.4	145.4	0	0	110.1	D784	D784-E786 PolarHBondContact O-N 3.03Å
787	M	36.8	Very low	43.6	Very low	178 Å²	178	127.5 Å²	127.5	88%	0.877	68%	0.676	S	S	*	*			trans	-148.3	40.5	-179.9	-149.1	-165.3	81.2	0	0	113.8
788	E	30.9	Very low	41.4	Very low	193 Å²	193	128 Å²	128	90%	0.902	68%	0.678	S	S	*	*			trans	-127.3	129.9	161.2	-72.1	-171.1	162	0	0	108.9
789	N	27.8	Very low	39.4	Very low	156 Å²	156	126.7 Å²	126.7	83%	0.834	69%	0.688	S	S	*	*			trans	-147.2	137.3	171.1	-142.1	6.6	0	0	0	108.1
790	E	30.9	Very low	37.7	Very low	181 Å²	181	131.3 Å²	131.3	85%	0.846	70%	0.698	S	S	*	*	S	Bend	trans	57.7	81.8	173.8	-53.4	-167.5	144.5	0	0	117.5
791	D	28.8	Very low	35.9	Very low	169 Å²	169	135.2 Å²	135.2	90%	0.904	71%	0.713	S	S	*	*				-163.4	165.7	109	-119.9	-29.8	0	0	0	114
792	Q	26	Very low	33.9	Very low	175 Å²	175	141.7 Å²	141.7	82%	0.818	74%	0.743	S	S	*	*			trans	-117.8	171.7	-173.9	-96.8	-169.7	24.9	0	0	112.8
793	P	40.6	Very low	32.2	Very low	96 Å²	96	142 Å²	142	62%	0.623	75%	0.754	S	S	*	*			cis	-137.5	177	-19.2	35.7	-17.4	0	0	0	115.1
794	S	25.4	Very low	30.9	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	76%	0.755	S	S	*	*			trans	61.5	134.1	155.6	63.3	0	0	0	0	118.9
795	S	25.2	Very low	29.8	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	77%	0.768	S	S	*	*				-172.8	148.6	52.8	57.1	0	0	0	0	114.2
796	E	27.3	Very low	28.8	Very low	168 Å²	168	144.2 Å²	144.2	79%	0.785	77%	0.769	S	S	*	*			trans	46.6	126.7	144	-68.5	-166.4	177.8	0	0	124.4
797	N	27.5	Very low	28.2	Very low	127 Å²	127	144.6 Å²	144.6	68%	0.679	77%	0.773	S	S	*	*			trans	86.2	119	136.2	-59.2	-14.9	0	0	0	123.5
798	D	28.1	Very low	27.7	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	77%	0.773	S	S	*	*				71.6	87.3	128.2	-69.9	-23	0	0	0	124.2
799	S	26.8	Very low	27.4	Very low	92 Å²	92	139 Å²	139	64%	0.643	76%	0.758	S	S	*	*				91.6	149.3	101.3	84.7	0	0	0	0	122.4
800	Q	28.2	Very low	27.3	Very low	165 Å²	165	138.9 Å²	138.9	77%	0.771	76%	0.756	S	S	*	*			trans	71.4	108.6	149.5	-72.9	-178.9	39	0	0	122.4
801	N	26.6	Very low	27.1	Very low	117 Å²	117	134.8 Å²	134.8	63%	0.626	75%	0.748	S	S	*	*				84.5	104.6	122.1	-76.4	-6.7	0	0	0	123.3
802	Q	25.5	Very low	27	Very low	160 Å²	160	134.6 Å²	134.6	75%	0.748	74%	0.742	S	S	*	*				76	146.3	111.9	-70.6	178.3	-4.8	0	0	122.1
803	S	26.5	Very low	27	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	74%	0.74	S	S	*	*			trans	62.3	108.5	158.3	42.4	0	0	0	0	118.9
804	A	25.9	Very low	26.2	Very low	88 Å²	88	133.7 Å²	133.7	73%	0.727	75%	0.746	S	S	*	*				19.8	149.3	105.9	0	0	0	0	0	118.1
805	E	28.1	Very low	26.2	Very low	158 Å²	158	135.4 Å²	135.4	74%	0.738	75%	0.746	S	S	*	*			cis	-164.8	-175.7	37.7	-154.2	-178.8	-115.4	0	0	112.4
806	Q	24.3	Very low	26.2	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	75%	0.747	S	S	*	*			trans	88.3	121.6	154.8	-72.2	167.7	31	0	0	119.7
807	M	26.1	Very low	26.1	Very low	178 Å²	178	132.9 Å²	132.9	88%	0.877	74%	0.74	S	S	*	*			trans	-70	158.1	172.1	-51.6	154.6	69.1	0	0	110.8
808	L	24.6	Very low	26.1	Very low	170 Å²	170	134.1 Å²	134.1	89%	0.89	75%	0.747	S	S	*	*			trans	-149.4	173.1	131.4	-112.6	167.6	0	0	0	109.9
809	S	25.1	Very low	25.9	Very low	84 Å²	84	135 Å²	135	59%	0.587	74%	0.744	S	S	*	*			trans	-134	-179.5	-150.1	59.3	0	0	0	0	114.2
810	L	25.1	Very low	25.8	Very low	152 Å²	152	138.1 Å²	138.1	80%	0.796	75%	0.748	S	S	*	*			trans	75.4	113.3	159.2	-73.6	159.9	0	0	0	118.8
811	S	26.8	Very low	25.8	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	75%	0.748	S	S	*	*				118.4	138.9	109.7	70.9	0	0	0	0	120.3
812	Q	26.7	Very low	26.2	Very low	165 Å²	165	135.6 Å²	135.6	77%	0.771	76%	0.755	S	S	*	*			trans	71.9	95	137	-80.7	176.3	-19.4	0	0	122.6
813	T	26.8	Very low	26.2	Very low	127 Å²	127	136.2 Å²	136.2	78%	0.779	76%	0.758	S	S	*	*				66.2	163.5	116.9	53.5	0	0	0	0	122.5
814	V	24.6	Very low	26.3	Very low	125 Å²	125	139.9 Å²	139.9	76%	0.758	76%	0.763	S	S	*	*			trans	105.9	82	159.1	-169.3	0	0	0	0	117.3
815	D	23.8	Very low	27	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	76%	0.764	S	S	*	*				69.2	163.2	109.1	-134.9	-15.8	0	0	0	123.2
816	L	26	Very low	26.9	Very low	146 Å²	146	137.3 Å²	137.3	76%	0.764	76%	0.759	S	S	*	*			trans	82.5	92.2	161.6	-62.7	169.9	0	0	0	122.2
817	A	25.8	Very low	26.9	Very low	78 Å²	78	136.2 Å²	136.2	65%	0.645	76%	0.759	S	S	*	*				68.3	143.3	106	0	0	0	0	0	124.7
818	D	25.9	Very low	26.9	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	75%	0.748	S	S	*	*			trans	55.6	131.3	154	-51.2	-22	0	0	0	120.7
819	K	25.2	Very low	27	Very low	157 Å²	157	132 Å²	132	68%	0.683	74%	0.742	S	S	*	*				-170.1	149.7	71.2	-108.6	175.2	170.7	-81.6	0	115.6
820	E	24.3	Very low	27.1	Very low	157 Å²	157	132.2 Å²	132.2	73%	0.734	74%	0.744	S	S	*	*			trans	51	127.2	138.6	-71.2	158.4	-177.8	0	0	123.1
821	S	28.4	Very low	27.1	Very low	110 Å²	110	134 Å²	134	77%	0.769	75%	0.748	S	S	*	*			trans	-89.9	173.7	157.5	53.3	0	0	0	0	111.8
822	P	34.4	Very low	27	Very low	119 Å²	119	134 Å²	134	77%	0.773	75%	0.754	S	S	*	*				-145.5	148.6	119.6	36.9	-22.2	0	0	0	117.3
823	E	25.5	Very low	27.2	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.813	76%	0.755	S	S	*	*			trans	15.4	125.2	145	-56.4	-177.4	147	0	0	122.5
824	H	28.5	Very low	28	Very low	184 Å²	184	131 Å²	131	85%	0.852	75%	0.753	S	S	*	*				38.7	158.7	115.2	-69.4	-47.8	0	0	0	122.1
825	P	41.1	Very low	28.1	Very low	115 Å²	115	129.2 Å²	129.2	75%	0.747	75%	0.747	S	S	*	*			cis	-147.5	-172.4	27.3	44.4	-23.9	0	0	0	118.8
826	A	26.1	Very low	28.2	Very low	77 Å²	77	128.8 Å²	128.8	64%	0.636	74%	0.744	S	S	*	*			trans	90.2	118.3	138.4	0	0	0	0	0	123.2
827	D	24.9	Very low	28.3	Very low	146 Å²	146	126.4 Å²	126.4	78%	0.781	74%	0.74	S	S	*	*				84.2	101.2	121.9	-65	-1.4	0	0	0	124.5
828	S	25.1	Very low	28.5	Very low	92 Å²	92	131.7 Å²	131.7	64%	0.643	75%	0.751	S	S	*	*				106.7	155.1	103.5	74.1	0	0	0	0	121.4
829	H	28	Very low	28.6	Very low	167 Å²	167	132.6 Å²	132.6	77%	0.773	75%	0.75	S	S	*	*			trans	68.8	129	173	-58.9	-67.4	0	0	0	117.6
830	S	26.7	Very low	28.7	Very low	89 Å²	89	129 Å²	129	62%	0.622	75%	0.75	S	S	*	*			cis	102.1	149.8	16	82.2	0	0	0	0	115.7
831	E	24.6	Very low	28.9	Very low	190 Å²	190	126.6 Å²	126.6	89%	0.888	76%	0.757	S	S	*	*			trans	75.1	158	-174.3	-54.5	-174.6	164.3	0	0	114.7
832	A	24.9	Very low	28.8	Very low	96 Å²	96	124.4 Å²	124.4	79%	0.793	75%	0.752	S	S	*	*			cis	165.9	156.4	-42.1	0	0	0	0	0	107.9
833	S	31.4	Very low	28.3	Very low	114 Å²	114	129.2 Å²	129.2	80%	0.797	76%	0.761	S	S	*	*			trans	-70.9	175	-179.1	-7.9	0	0	0	0	113.2
834	P	42.5	Very low	28.5	Very low	113 Å²	113	124.9 Å²	124.9	73%	0.734	76%	0.755	S	S	*	*			cis	-154.1	-177.6	39.7	44	-21.2	0	0	0	120
835	S	27.1	Very low	29.6	Very low	89 Å²	89	121.7 Å²	121.7	62%	0.622	75%	0.75	S	S	*	*			trans	32.1	136.4	142.9	63	0	0	0	0	124.4
836	D	25.6	Very low	28.9	Very low	139 Å²	139	120.8 Å²	120.8	74%	0.743	75%	0.747	S	S	*	*				-175	139.5	98.5	-94.3	-43.3	0	0	0	109.7
837	S	28.6	Very low	29	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	75%	0.753	S	S	*	*				70.3	141.1	62.7	85.4	0	0	0	0	114.2
838	E	29.9	Very low	29.1	Very low	188 Å²	188	124.6 Å²	124.6	88%	0.879	75%	0.747	S	S	*	*			cis	-146.1	-175.2	-13.1	-123.1	174.5	-179	0	0	107.5
839	E	27.9	Very low	29.1	Very low	172 Å²	172	127 Å²	127	80%	0.804	75%	0.751	S	S	*	*			cis	-133	176.6	21.3	-113.7	-167.7	108.4	0	0	110
840	A	28.3	Very low	29.1	Very low	82 Å²	82	124.7 Å²	124.7	68%	0.678	75%	0.754	S	S	*	*				59.2	141	66.3	0	0	0	0	0	116
841	A	28.5	Very low	29	Very low	106 Å²	106	123.5 Å²	123.5	88%	0.876	76%	0.756	S	S	*	*			cis	-160	-177	-11.2	0	0	0	0	0	107.7
842	G	24.7	Very low	29	Very low	65 Å²	65	120.1 Å²	120.1	67%	0.67	75%	0.753	S	S	*	*			cis	164.8	-177.2	0.7	0	0	0	0	0	112
843	F	25.6	Very low	29.1	Very low	220 Å²	220	121 Å²	121	97%	0.965	75%	0.749	S	S	*	*			trans	71.7	141.7	169.5	-82.6	-93.2	0	0	0	122.7
844	A	29.4	Very low	28.9	Very low	82 Å²	82	123.2 Å²	123.2	68%	0.678	75%	0.746	S	S	*	*			trans	-137	-171.6	156.2	0	0	0	0	0	106
845	P	50.4	Low	28.1	Very low	117 Å²	117	124.5 Å²	124.5	76%	0.76	75%	0.747	S	S	*	*			cis	-137.9	-143.5	-2.2	41.7	-19.5	0	0	0	112.5
846	S	26.7	Very low	28.2	Very low	97 Å²	97	129.5 Å²	129.5	68%	0.678	76%	0.76	S	S	*	*			trans	92.2	116.3	148.5	67.7	0	0	0	0	122.6
847	E	27.9	Very low	28.2	Very low	160 Å²	160	130.4 Å²	130.4	75%	0.748	76%	0.76	S	S	*	*				78.3	125.6	120.9	-71.4	-156.1	109	0	0	125.7
848	Q	27	Very low	28.1	Very low	143 Å²	143	131.7 Å²	131.7	67%	0.668	76%	0.764	S	S	*	*				110.4	134.3	117.7	-92.2	-178.1	34.3	0	0	123.8
849	I	26.4	Very low	27.9	Very low	141 Å²	141	128.2 Å²	128.2	72%	0.723	76%	0.756	S	S	*	*			trans	92.3	133.8	140.2	-75.5	167.2	0	0	0	122.4
850	S	26.7	Very low	27.8	Very low	120 Å²	120	124.2 Å²	124.2	84%	0.839	75%	0.747	S	S	*	*			trans	93.3	134.3	160	73.7	0	0	0	0	119
851	G	24.8	Very low	27.7	Very low	64 Å²	64	127.2 Å²	127.2	66%	0.66	75%	0.751	S	S	*	*			cis	156.8	136.8	-16.8	0	0	0	0	0	115.7
852	S	25	Very low	27.6	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	75%	0.748	S	S	*	*			trans	63.1	155.4	170.1	48.5	0	0	0	0	116.9
853	T	27.1	Very low	27.7	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	76%	0.756	S	S	*	*			cis	-151.1	150.6	12.8	-18.3	0	0	0	0	112.7
854	E	26.4	Very low	27.7	Very low	160 Å²	160	128.6 Å²	128.6	75%	0.748	75%	0.751	S	S	*	*			trans	11.5	121	146.6	-65.7	173.2	154.2	0	0	119.8
855	N	26.1	Very low	27.4	Very low	140 Å²	140	129.9 Å²	129.9	75%	0.749	75%	0.754	S	S	*	*				78.7	124.3	83.8	-67.7	-16.9	0	0	0	116.2
856	H	28.5	Very low	26.3	Very low	194 Å²	194	131.2 Å²	131.2	90%	0.898	76%	0.76	S	S	*	*				-161.5	161.4	124.9	-109.1	-64.2	0	0	0	111.3
857	E	27.2	Very low	26.4	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.743	77%	0.766	S	S	*	*			trans	-118.8	156.9	-158.6	-54.8	166.7	99.1	0	0	114
858	T	26.1	Very low	26.3	Very low	123 Å²	123	133.8 Å²	133.8	76%	0.755	77%	0.771	S	S	*	*			trans	63.2	165.7	151.5	52	0	0	0	0	117.8
859	T	25.8	Very low	26.4	Very low	115 Å²	115	133.3 Å²	133.3	71%	0.706	77%	0.773	S	S	*	*			cis	-158.8	132.7	6.4	1.2	0	0	0	0	105.5
860	S	25.4	Very low	26.5	Very low	88 Å²	88	132.5 Å²	132.5	62%	0.615	77%	0.77	S	S	*	*				106	132	69.1	74.3	0	0	0	0	114.5
861	L	26.8	Very low	26.5	Very low	144 Å²	144	134.3 Å²	134.3	75%	0.754	77%	0.765	S	S	*	*			trans	79.3	124.5	148.5	-60	163.8	0	0	0	122.5
862	D	25.5	Very low	26.6	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	77%	0.77	S	S	*	*			trans	65.5	141.8	130.4	-50.4	-9.8	0	0	0	124.5
863	G	25.9	Very low	26.6	Very low	81 Å²	81	141 Å²	141	84%	0.835	77%	0.774	S	S	*	*			trans	159.7	119.5	164.4	0	0	0	0	0	114.7
864	E	27.1	Very low	26.7	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.874	78%	0.78	S	S	*	*			trans	-100.3	157.1	-175.1	-68.2	-177.1	109.1	0	0	115.6
865	C	23.1	Very low	26.6	Very low	108 Å²	108	145.8 Å²	145.8	73%	0.73	79%	0.789	S	S	*	*			trans	33.6	140	141.5	-60.4	0	0	0	0	123.4
866	T	26.7	Very low	26.6	Very low	145 Å²	145	143.6 Å²	143.6	89%	0.89	78%	0.784	S	S	*	*				-170.1	151.9	118.5	13.3	0	0	0	0	113.5
867	D	27.9	Very low	26.5	Very low	149 Å²	149	143 Å²	143	80%	0.797	78%	0.782	S	S	*	*			trans	-83.9	174.9	178.1	-48.6	-87.1	0	0	0	114.3
868	L	26.8	Very low	26.4	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	79%	0.786	S	S	*	*			trans	-172.7	142.1	134.8	-105.1	164.6	0	0	0	114.3
869	D	28.3	Very low	26.4	Very low	133 Å²	133	145 Å²	145	71%	0.711	79%	0.792	S	S	*	*			trans	-84.5	164.8	179.9	-45	-94.4	0	0	0	115.1
870	N	29.6	Very low	26.4	Very low	123 Å²	123	149.2 Å²	149.2	66%	0.658	80%	0.804	S	S	*	*				171.9	146.3	102.3	-95.9	-72.8	0	0	0	118.4
871	Q	27.2	Very low	26.5	Very low	159 Å²	159	152.6 Å²	152.6	74%	0.743	82%	0.815	S	S	*	*			trans	64.6	98.8	139.5	-71.4	164.3	42.9	0	0	123.7
872	V	27.2	Very low	26.4	Very low	126 Å²	126	151.2 Å²	151.2	76%	0.764	82%	0.817	S	S	*	*				43	128.6	95.2	180	0	0	0	0	120
873	Q	24.9	Very low	26.5	Very low	198 Å²	198	149.6 Å²	149.6	93%	0.925	82%	0.818	S	S	*	*			trans	-152.6	148	136.4	-134.3	172.9	13.7	0	0	112.8
874	E	27.6	Very low	27	Very low	174 Å²	174	151 Å²	151	81%	0.813	81%	0.812	S	S	*	*			trans	-107.4	158.1	-176.2	-57.5	169.8	109.5	0	0	113
875	Q	24.7	Very low	26.9	Very low	200 Å²	200	149.7 Å²	149.7	94%	0.935	81%	0.811	S	S	*	*			trans	-163.2	172	138.6	-111.6	166	28.2	0	0	112.3
876	S	25.4	Very low	27.2	Very low	93 Å²	93	151.4 Å²	151.4	65%	0.65	82%	0.818	S	S	*	*			trans	-140.7	163.6	-138.7	56.2	0	0	0	0	116.9
877	E	28.3	Very low	27.1	Very low	183 Å²	183	149.6 Å²	149.6	86%	0.855	81%	0.812	S	S	*	*			trans	67.9	146.8	166.2	-62	170.6	-172.7	0	0	115.6
878	T	23.4	Very low	27.2	Very low	135 Å²	135	154.6 Å²	154.6	83%	0.828	82%	0.819	S	S	*	*			cis	-141.7	174.4	30.3	51.5	0	0	0	0	114.4
879	E	27.6	Very low	27.2	Very low	189 Å²	189	150.4 Å²	150.4	88%	0.883	82%	0.815	S	S	*	*			trans	-79.9	151.8	172.6	-53.1	173.7	131.5	0	0	113.6
880	E	24.6	Very low	27.5	Very low	202 Å²	202	150.6 Å²	150.6	94%	0.944	82%	0.822	S	S	*	*			trans	-170.8	157.5	132.7	-115	-179.4	-169.7	0	0	112.5
881	D	27.3	Very low	27.7	Very low	159 Å²	159	154.5 Å²	154.5	85%	0.85	83%	0.833	S	S	*	*			trans	-77.3	142.3	-178	-103.7	-45.8	0	0	0	113.9
882	S	25.3	Very low	28.4	Very low	116 Å²	116	151.6 Å²	151.6	81%	0.811	84%	0.836	S	S	*	*			trans	174.9	137.6	134.5	40.1	0	0	0	0	115.3
883	S	27.7	Very low	29.2	Very low	118 Å²	118	153 Å²	153	83%	0.825	84%	0.835	S	S	*	*			trans	-77.2	146.5	158.4	-46.6	0	0	0	0	110
884	P	36.7	Very low	30.7	Very low	110 Å²	110	147.6 Å²	147.6	71%	0.714	82%	0.817	S	S	*	*				-155.7	168.7	93.2	40	-21.9	0	0	0	117.5
885	N	25	Very low	32.1	Very low	161 Å²	161	145 Å²	145	86%	0.861	81%	0.807	S	S	*	*			trans	32.5	110.2	150.2	-66.1	-9.4	0	0	0	120.5
886	V	29.6	Very low	33.3	Very low	143 Å²	143	141.8 Å²	141.8	87%	0.867	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.9	128.3	158.3	178.2	0	0	0	0	110.2
887	S	24.7	Very low	34.6	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-98.5	146.1	167.7	58.9	0	0	0	0	111.3
888	W	28.9	Very low	35.8	Very low	253 Å²	253	134.8 Å²	134.8	96%	0.958	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75.1	132.3	175.1	-81.6	47.5	0	0	0	110.8
889	G	28.3	Very low	37.3	Very low	75 Å²	75	132.9 Å²	132.9	77%	0.773	75%	0.745	S	S	*	*			trans	-138.4	94.9	179.3	0	0	0	0	0	111.9
890	T	34.5	Very low	38.6	Very low	138 Å²	138	126.4 Å²	126.4	85%	0.847	72%	0.723	S	S	*	*			trans	-70.8	134.4	-179.6	-27.6	0	0	0	0	111.5
891	K	33.6	Very low	40	Very low	204 Å²	204	120.7 Å²	120.7	89%	0.887	70%	0.7	S	S	*	*			trans	-119.9	118.8	162.1	-82.4	-174.6	173.9	-179.5	0	109.1
892	A	40.3	Very low	41.4	Very low	99 Å²	99	121.1 Å²	121.1	82%	0.818	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-81.9	149.9	169.1	0	0	0	0	0	110.5
893	Q	45.4	Very low	42.8	Very low	155 Å²	155	120.2 Å²	120.2	72%	0.724	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-78.6	159.3	169.7	-77.4	171.3	-76.3	0	0	111.3
894	P	55.5	Low	44	Very low	85 Å²	85	121.6 Å²	121.6	55%	0.552	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-67.5	139.3	174.5	-16.9	31.9	0	0	0	111.9	D896 S897	P894-D896 PolarHBondContact O-N 3.33Å; P894-S897 WeakPolarHBondContact O-CB 3.33Å; P894-S897 PolarHBondContact O-N 3.41Å; P894-S897 VanDerWaalsContact O-N 3.12Å
895	I	57.6	Low	45	Very low	120 Å²	120	120.9 Å²	120.9	62%	0.615	66%	0.659	S	S	*	*	H	α-helix	trans	-59	-33.1	177.8	-70	169.8	0	0	0	111.6	S897 I898 L899	I895-S897 PolarHBondContact O-N 3.33Å; I895-S897 VanDerWaalsContact O-N 3.17Å; I895-I898 PolarHBondContact O-N 3.02Å; I895-L899 HydrophobicContact CG2-CD1 3.79Å; I895-L899 HydrophobicContact CG2-CG 4.09Å; I895-L899 PolarHBondContact O-N 3.49Å
896	D	50.6	Low	46.7	Very low	132 Å²	132	117.3 Å²	117.3	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-63.1	-21.2	179.8	-47.9	-49.1	0	0	0	113.4	P894 A900	P894-D896 PolarHBondContact O-N 3.33Å; D896-A900 PolarHBondContact O-N 3.21Å
897	S	50.9	Low	47.9	Very low	49 Å²	49	116.9 Å²	116.9	34%	0.343	63%	0.627	S	S	.	*	H	α-helix	trans	-76.1	-45	171.7	-163	0	0	0	0	111.1	P894 I895 L899 A900 D901	P894-S897 WeakPolarHBondContact O-CB 3.33Å; P894-S897 PolarHBondContact O-N 3.41Å; P894-S897 VanDerWaalsContact O-N 3.12Å; I895-S897 PolarHBondContact O-N 3.33Å; I895-S897 VanDerWaalsContact O-N 3.17Å; S897-L899 VanDerWaalsContact C-N 3.27Å; S897-L899 PolarHBondContact O-N 3.19Å; S897-A900 WeakPolarHBondContact O-CB 3.47Å; S897-A900 PolarHBondContact O-N 3.06Å; S897-D901 VanDerWaalsContact O-CG 3.31Å; S897-D901 PolarHBondContact O-N 3.49Å; S897-D901 VanDerWaalsContact O-N 3.11Å
898	I	54.2	Low	49.3	Very low	79 Å²	79	114.1 Å²	114.1	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-65.3	-35.8	-179.2	-54.9	173.7	0	0	0	110.2	I895 A900 W902	I895-I898 PolarHBondContact O-N 3.02Å; I898-A900 VanDerWaalsContact C-N 3.3Å; I898-W902 WeakPolarHBondContact O-CB 3.48Å; I898-W902 PolarHBondContact O-N 2.91Å
899	L	55.8	Low	50.2	Low	95 Å²	95	108.5 Å²	108.5	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-74.7	-13.3	173.3	-67	175.9	0	0	0	113.8	I895 S897 N903	I895-L899 HydrophobicContact CG2-CD1 3.79Å; I895-L899 HydrophobicContact CG2-CG 4.09Å; I895-L899 PolarHBondContact O-N 3.49Å; S897-L899 VanDerWaalsContact C-N 3.27Å; S897-L899 PolarHBondContact O-N 3.19Å; L899-N903 PolarHBondContact O-ND2 3.23Å
900	A	54.6	Low	51.3	Low	53 Å²	53	113 Å²	113	44%	0.438	59%	0.594	S	S	.	*	H	α-helix	trans	-79.1	-57	168.3	0	0	0	0	0	109.1	D896 S897 I898 W902 N903 E904	D896-A900 PolarHBondContact O-N 3.21Å; S897-A900 WeakPolarHBondContact O-CB 3.47Å; S897-A900 PolarHBondContact O-N 3.06Å; I898-A900 VanDerWaalsContact C-N 3.3Å; A900-W902 VanDerWaalsContact C-N 3.29Å; A900-W902 PolarHBondContact O-N 3.36Å; A900-N903 PolarHBondContact O-N 3.12Å; A900-E904 PolarHBondContact O-N 3.05Å; A900-E904 VanDerWaalsContact O-N 3.12Å
901	D	52.7	Low	51.9	Low	83 Å²	83	113.7 Å²	113.7	44%	0.444	59%	0.59	S	S	.	*	H	α-helix	trans	-50.4	-47.8	178.9	-52.3	-12	0	0	0	111.3	S897 N903 E904 D905	S897-D901 VanDerWaalsContact O-CG 3.31Å; S897-D901 PolarHBondContact O-N 3.49Å; S897-D901 VanDerWaalsContact O-N 3.11Å; D901-N903 VanDerWaalsContact C-N 3.32Å; D901-N903 PolarHBondContact O-N 2.98Å; D901-E904 PolarHBondContact O-N 3.42Å; D901-D905 PolarHBondContact O-N 2.95Å
902	W	57.1	Low	52.7	Low	168 Å²	168	107.7 Å²	107.7	64%	0.636	57%	0.566	S	S	*	*	H	α-helix	trans	-65	-27.3	-179.8	-85.5	47.8	0	0	0	115	I898 A900 I906	I898-W902 WeakPolarHBondContact O-CB 3.48Å; I898-W902 PolarHBondContact O-N 2.91Å; A900-W902 VanDerWaalsContact C-N 3.29Å; A900-W902 PolarHBondContact O-N 3.36Å; W902-I906 WeakPolarHBondContact O-CB 3.47Å; W902-I906 WeakPolarHBondContact O-CD1 3.5Å; W902-I906 WeakPolarHBondContact O-CG1 3.5Å; W902-I906 PolarHBondContact O-N 2.95Å
903	N	54.8	Low	53.3	Low	97 Å²	97	111.1 Å²	111.1	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-81.8	-34.7	175.8	-76.3	-51.9	0	0	0	111	L899 A900 D901 I906 E907	L899-N903 PolarHBondContact O-ND2 3.23Å; A900-N903 PolarHBondContact O-N 3.12Å; D901-N903 VanDerWaalsContact C-N 3.32Å; D901-N903 PolarHBondContact O-N 2.98Å; N903-I906 PolarHBondContact O-N 3.31Å; N903-E907 PolarHBondContact O-N 3.02Å
904	E	53.9	Low	53.3	Low	146 Å²	146	112.6 Å²	112.6	68%	0.682	57%	0.569	S	S	*	*	H	α-helix	trans	-67.7	-38.9	175.2	-160.6	161.6	-145.2	0	0	111	A900 D901 A908	A900-E904 PolarHBondContact O-N 3.05Å; A900-E904 VanDerWaalsContact O-N 3.12Å; D901-E904 PolarHBondContact O-N 3.42Å; E904-A908 WeakPolarHBondContact O-CB 3.43Å; E904-A908 PolarHBondContact O-N 3.13Å
905	D	57.1	Low	52.5	Low	95 Å²	95	116.5 Å²	116.5	51%	0.508	59%	0.585	S	S	.	*	H	α-helix	trans	-61.5	-42.4	169.5	-78.5	-26.1	0	0	0	112.4	D901 A908 F909	D901-D905 PolarHBondContact O-N 2.95Å; D905-A908 WeakPolarHBondContact O-CB 3.34Å; D905-A908 PolarHBondContact O-N 3.37Å; D905-F909 WeakPolarHBondContact O-CD2 3.25Å; D905-F909 PolarHBondContact O-N 3.11Å
906	I	59.9	Low	51.9	Low	87 Å²	87	118.5 Å²	118.5	45%	0.446	59%	0.592	S	S	.	*	H	α-helix	trans	-68.2	-43	179.4	-74.6	168.5	0	0	0	111.5	W902 N903 A908 F909 E910	W902-I906 WeakPolarHBondContact O-CB 3.47Å; W902-I906 WeakPolarHBondContact O-CD1 3.5Å; W902-I906 WeakPolarHBondContact O-CG1 3.5Å; W902-I906 PolarHBondContact O-N 2.95Å; N903-I906 PolarHBondContact O-N 3.31Å; I906-A908 VanDerWaalsContact C-N 3.26Å; I906-A908 PolarHBondContact O-N 2.91Å; I906-F909 PolarHBondContact O-N 3.35Å; I906-E910 PolarHBondContact O-N 3.14Å
907	E	56.5	Low	51.1	Low	133 Å²	133	119.1 Å²	119.1	62%	0.621	60%	0.595	S	S	*	*	H	α-helix	trans	-63.9	-32.3	174.7	-72.9	-171.8	175.2	0	0	111.8	N903 M911	N903-E907 PolarHBondContact O-N 3.02Å; E907-M911 VanDerWaalsContact O-CE 3.3Å; E907-M911 WeakPolarHBondContact O-CE 3.26Å; E907-M911 WeakPolarHBondContact O-CG 3.37Å
908	A	53.2	Low	51.2	Low	50 Å²	50	122.7 Å²	122.7	41%	0.413	61%	0.608	S	S	.	*	H	α-helix	trans	-66.4	-44.8	171.2	0	0	0	0	0	112.5	E904 D905 I906 E910 M911	E904-A908 WeakPolarHBondContact O-CB 3.43Å; E904-A908 PolarHBondContact O-N 3.13Å; D905-A908 WeakPolarHBondContact O-CB 3.34Å; D905-A908 PolarHBondContact O-N 3.37Å; I906-A908 VanDerWaalsContact C-N 3.26Å; I906-A908 PolarHBondContact O-N 2.91Å; A908-E910 PolarHBondContact O-N 3.42Å; A908-M911 PolarHBondContact O-N 3.3Å
909	F	48.3	Very low	51	Low	136 Å²	136	124.9 Å²	124.9	60%	0.596	62%	0.618	S	S	*	*	H	α-helix	trans	-64.7	-34.7	177.3	-96.7	-79.8	0	0	0	113.4	D905 I906 M911 L917	D905-F909 WeakPolarHBondContact O-CD2 3.25Å; D905-F909 PolarHBondContact O-N 3.11Å; I906-F909 PolarHBondContact O-N 3.35Å; F909-M911 PolarHBondContact O-N 3.22Å; F909-L917 HydrophobicContact CD1-CD2 4.01Å; F909-L917 HydrophobicContact CE1-CD2 3.74Å
910	E	49.9	Very low	50.7	Low	168 Å²	168	126.6 Å²	126.6	79%	0.785	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-11.7	175.5	-71.4	-162.5	160.3	0	0	113.7	I906 A908	I906-E910 PolarHBondContact O-N 3.14Å; A908-E910 PolarHBondContact O-N 3.42Å
911	M	48.9	Very low	50.5	Low	153 Å²	153	130.9 Å²	130.9	75%	0.754	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-2.1	-179.9	-72.1	-167.2	-72.4	0	0	115.2	E907 A908 F909	E907-M911 VanDerWaalsContact O-CE 3.3Å; E907-M911 WeakPolarHBondContact O-CE 3.26Å; E907-M911 WeakPolarHBondContact O-CG 3.37Å; A908-M911 PolarHBondContact O-N 3.3Å; F909-M911 PolarHBondContact O-N 3.22Å
912	M	49	Very low	50.4	Low	79 Å²	79	133.9 Å²	133.9	39%	0.389	65%	0.648	S	S	.	*			trans	-83.2	131.5	177.6	-70.6	-179.9	66.3	0	0	112.4	E916 L917	M912-E916 HydrophobicContact CE-CB 4.14Å; M912-E916 WeakPolarHBondContact CE-O 3.41Å; M912-L917 HydrophobicContact CB-CD1 4.17Å; M912-L917 HydrophobicContact CB-CG 4.18Å; M912-L917 HydrophobicContact CE-CD2 3.8Å; M912-L917 HydrophobicContact CE-CG 4.06Å; M912-L917 HydrophobicContact SD-CD2 4Å
913	E	54.3	Low	49.9	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	65%	0.649	S	S	*	*			trans	-79.1	157.1	172.2	-73.2	-159	152.1	0	0	112.3	D915 E916	E913-D915 PolarHBondContact O-N 2.65Å; E913-E916 PolarHBondContact O-N 2.75Å
914	K	43.3	Very low	49.6	Very low	186 Å²	186	134.1 Å²	134.1	81%	0.809	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	1.2	-154.7	-145	179.4	-176.1	176.5	0	116.8
915	D	38.9	Very low	49.2	Very low	166 Å²	166	133.2 Å²	133.2	89%	0.888	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	0.5	178.1	-67	-14.3	0	0	0	112.1	E913	E913-D915 PolarHBondContact O-N 2.65Å
916	E	45.2	Very low	48.6	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	67%	0.669	S	S	*	*			trans	-112.8	13.8	172.4	-62.4	-166	146.1	0	0	113.4	M912 E913	M912-E916 HydrophobicContact CE-CB 4.14Å; M912-E916 WeakPolarHBondContact CE-O 3.41Å; E913-E916 PolarHBondContact O-N 2.75Å
917	L	35.4	Very low	47.5	Very low	146 Å²	146	140.9 Å²	140.9	76%	0.764	69%	0.689	S	S	*	*			trans	-118.3	0	174.2	-74.7	172.3	0	0	0	111.9	F909 M912	F909-L917 HydrophobicContact CD1-CD2 4.01Å; F909-L917 HydrophobicContact CE1-CD2 3.74Å; M912-L917 HydrophobicContact CB-CD1 4.17Å; M912-L917 HydrophobicContact CB-CG 4.18Å; M912-L917 HydrophobicContact CE-CD2 3.8Å; M912-L917 HydrophobicContact CE-CG 4.06Å; M912-L917 HydrophobicContact SD-CD2 4Å

Retrieved 917 of 917 residues in 4708.7 ms (Link to these results)

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