A0A087WR24_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 A0A087WR24, Species MOUSE (Mus musculus, Mouse), Gene Edem3, Length 947 aa.

						>A0A087WR24_MOUSE|A0A087WR24|Edem3
MSKAGGCRGCGCRVPQRASWSLVAATAALCLVLATSVCTAGAAPMSREEKQKLGNQVLEMFDHAYGNYMEHAYPADELMPLTCRGRVRGQEPSRGDVDDALGKFSLTLIDSLDTLVVLNKTKEFEDAVRKVLRDVNLDNDVVVSVFETNIRVLGGLLGGHSLAIMLKEKGEHMQWYNDELLHMAKQLGYKLLPAFNTTSGLPYPRINLKFGIRKPEARTGTETDTCTACAGTLILEFAALSRFTGATIFEEYARKALDFLWEKRQRSSNLVGVTINIHTGDWVRKDSGVGAGIDSYYEYLLKAYVLLGDDSFLERFNTHYDAIMRYISQPPLLLDVHIHKPMLNARTWMDALLAFFPGLQVLKGDIRPAIETHEMLYQVIKKHNFLPEAFTTDFRVHWAQHPLRPEFAESTYFLYKATGDPYYLEVGKTLIENLNKYARVPCGFAAMKDVRTGSHEDRMDSFFLAEMFKYLYLLFADKEDIIFDIEDYIFTTEAHLLPLWLSTTNRSISKKNTTSEYTELDDSNFDWTCPNTQILFPNDPLYAQSIREPLKNVVDKSCPRGIIRVEESFRSGAKPPLRARDFMATNPEHLEILKKMGVSLIHLKDGRVQLVQHAIQAASSIDAEDGLRFMQEMIELSSQQQKEQQLPPRAVQIISHPFFGRVVLTAGPAQFGLDLSKHKETRGFVASSKPYNGCSELTNPEAVMGKIALIQRGQCMFAEKARNIQNAGAIGGIVIDDNEGSSSDTAPLFQMAGDGKDTDDIKIPMLFLFSKEGSIILDAIREHEQVEVLLSDKARDRAAILKGKMIPSYIINSNPEMENEDQPSSENDSQNQSAEQMLSLSQTVDLADKESPEHPADSHSEASPSDSEEAAGFAPSEQISGSTENHETTSLDGECTDLDNQVQEQSETEEDSSPNVSWGTKAQPIDSILADWNEDIEAFEMMEKDEL
					

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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	32.3	Very low	29.7	Very low	233 Å²	233	132.5 Å²	132.5	100%	1.148	86%	0.86	S	S	*	*				0	128.1	0	-67.3	126.2	75.3	0	0	106.8
2	S	30.9	Very low	29.6	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	87%	0.867	S	S	*	*			cis	-152	137.2	2.7	-74.6	0	0	0	0	112.5
3	K	33.8	Very low	29.5	Very low	208 Å²	208	140.8 Å²	140.8	90%	0.904	87%	0.868	S	S	*	*			trans	38.1	145.3	136.2	-67	-174.5	176.9	-178.7	0	121.4
4	A	32.7	Very low	30	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	86%	0.86	S	S	*	*			cis	-173.6	168.5	-7.7	0	0	0	0	0	112.5
5	G	27.7	Very low	30.5	Very low	82 Å²	82	138 Å²	138	85%	0.845	85%	0.852	S	S	*	*			trans	92.7	145.3	168.7	0	0	0	0	0	114.7
6	G	27.7	Very low	31	Very low	80 Å²	80	140.4 Å²	140.4	83%	0.825	85%	0.851	S	S	*	*			cis	103.8	133	2.1	0	0	0	0	0	113
7	C	26.9	Very low	31.3	Very low	117 Å²	117	146.1 Å²	146.1	79%	0.791	85%	0.853	S	S	*	*			cis	-169.3	163.6	7.3	-169.5	0	0	0	0	111.6
8	R	29.7	Very low	31.9	Very low	243 Å²	243	143 Å²	143	92%	0.917	85%	0.847	S	S	*	*			trans	73.3	153.5	169.2	-46.3	-179.9	-172.9	-157.3	-0.8	116.6
9	G	27.8	Very low	32.7	Very low	69 Å²	69	140.5 Å²	140.5	71%	0.711	84%	0.838	S	S	*	*			cis	169.7	-177.3	-7.7	0	0	0	0	0	114.4
10	C	29	Very low	33.2	Very low	146 Å²	146	143.8 Å²	143.8	99%	0.986	84%	0.835	S	S	*	*			trans	72.8	143	174.7	-62.8	0	0	0	0	118.8
11	G	28.6	Very low	33.8	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	83%	0.829	S	S	*	*			trans	-163	152.8	171.9	0	0	0	0	0	111.4
12	C	27.6	Very low	34.5	Very low	140 Å²	140	137.1 Å²	137.1	95%	0.946	81%	0.808	S	S	*	*			trans	-132.3	164	-179.8	-79.4	0	0	0	0	111.1
13	R	29.4	Very low	35.6	Very low	232 Å²	232	136.4 Å²	136.4	88%	0.875	80%	0.799	S	S	*	*			trans	-106	137.8	-165.9	-74.4	-177.9	172.2	-176.5	-2.6	114.2
14	V	35.7	Very low	36.5	Very low	125 Å²	125	129.5 Å²	129.5	76%	0.758	78%	0.781	S	S	*	*				48.7	122.5	123	-176.8	0	0	0	0	117.2
15	P	38.3	Very low	37.4	Very low	115 Å²	115	127.7 Å²	127.7	75%	0.747	77%	0.766	S	S	*	*				-146.4	140.8	87.5	37.6	-19.7	0	0	0	119.8
16	Q	38.1	Very low	38.6	Very low	177 Å²	177	127.6 Å²	127.6	83%	0.827	75%	0.749	S	S	*	*			trans	38.6	120.9	138.2	-63.8	176.4	-33.6	0	0	121.5
17	R	35.7	Very low	39.9	Very low	237 Å²	237	126 Å²	126	89%	0.894	73%	0.728	S	S	*	*				-134.3	123.6	129.1	-80.6	-168.2	171.8	178.5	-2.9	110.5
18	A	43.1	Very low	41.2	Very low	90 Å²	90	123 Å²	123	74%	0.744	71%	0.712	S	S	*	*			trans	-81.4	-172.1	163.2	0	0	0	0	0	110.1
19	S	46.4	Very low	42.2	Very low	96 Å²	96	116.8 Å²	116.8	67%	0.671	70%	0.696	S	S	*	*			trans	74.6	35.1	173.9	-161.4	0	0	0	0	117.5
20	W	42.7	Very low	43.2	Very low	206 Å²	206	117.4 Å²	117.4	78%	0.78	69%	0.688	S	S	*	*	S	Bend	trans	-102.3	-36.6	161.6	-77.2	74.4	0	0	0	112.7	L22 V23 A24	W20-L22 VanDerWaalsContact C-N 3.34Å; W20-L22 PolarHBondContact O-N 3.09Å; W20-V23 PolarHBondContact O-N 2.74Å; W20-A24 PolarHBondContact O-N 3.44Å
21	S	45.4	Very low	44.2	Very low	102 Å²	102	116.2 Å²	116.2	71%	0.713	67%	0.672	S	S	*	*	H	α-helix	trans	-61	-36	-173.6	-40.3	0	0	0	0	114.4	A25	S21-A25 WeakPolarHBondContact O-CB 3.39Å; S21-A25 PolarHBondContact O-N 2.69Å
22	L	47.7	Very low	45.2	Very low	135 Å²	135	117.1 Å²	117.1	71%	0.707	66%	0.662	S	S	*	*	H	α-helix	trans	-73.2	-36.3	-178.1	-146.9	78.2	0	0	0	112.1	W20 T26	W20-L22 VanDerWaalsContact C-N 3.34Å; W20-L22 PolarHBondContact O-N 3.09Å; L22-T26 PolarHBondContact O-N 2.96Å; L22-T26 VanDerWaalsContact O-N 3.09Å; L22-T26 PolarHBondContact O-OG1 2.85Å
23	V	53.5	Low	46	Very low	92 Å²	92	115.3 Å²	115.3	56%	0.558	64%	0.642	S	S	*	*	H	α-helix	trans	-72.8	-38.1	176.2	-176.9	0	0	0	0	110.7	W20 T26 A27	W20-V23 PolarHBondContact O-N 2.74Å; V23-T26 PolarHBondContact O-OG1 3.31Å; V23-A27 WeakPolarHBondContact O-CB 2.99Å; V23-A27 PolarHBondContact O-N 2.71Å
24	A	52.6	Low	46.6	Very low	62 Å²	62	106.8 Å²	106.8	51%	0.512	62%	0.621	S	S	.	*	H	α-helix	trans	-63.6	-40.7	173	0	0	0	0	0	112	W20 A28	W20-A24 PolarHBondContact O-N 3.44Å; A24-A28 VanDerWaalsContact O-CB 3.25Å; A24-A28 WeakPolarHBondContact O-CB 3.48Å; A24-A28 PolarHBondContact O-N 2.89Å
25	A	51.9	Low	46.8	Very low	60 Å²	60	105.3 Å²	105.3	50%	0.496	61%	0.613	S	S	.	*	H	α-helix	trans	-66.6	-43.5	177.8	0	0	0	0	0	112.8	S21 L29	S21-A25 WeakPolarHBondContact O-CB 3.39Å; S21-A25 PolarHBondContact O-N 2.69Å; A25-L29 WeakPolarHBondContact O-CB 3.35Å; A25-L29 PolarHBondContact O-N 3.14Å
26	T	53.6	Low	46.6	Very low	80 Å²	80	104.1 Å²	104.1	49%	0.491	61%	0.608	S	S	.	*	H	α-helix	trans	-71.1	-37.6	176.1	53	0	0	0	0	112.3	L22 V23 L29 C30	L22-T26 PolarHBondContact O-N 2.96Å; L22-T26 VanDerWaalsContact O-N 3.09Å; L22-T26 PolarHBondContact O-OG1 2.85Å; V23-T26 PolarHBondContact O-OG1 3.31Å; T26-L29 PolarHBondContact O-N 3.07Å; T26-C30 WeakPolarHBondContact O-CB 3.28Å; T26-C30 PolarHBondContact O-N 2.92Å; T26-C30 PolarHBondContact O-SG 2.8Å
27	A	53.4	Low	46.5	Very low	47 Å²	47	101.3 Å²	101.3	39%	0.388	60%	0.602	S	S	.	*	H	α-helix	trans	-63.2	-41.9	173.5	0	0	0	0	0	112	V23 C30 L31	V23-A27 WeakPolarHBondContact O-CB 2.99Å; V23-A27 PolarHBondContact O-N 2.71Å; A27-C30 PolarHBondContact O-N 3.14Å; A27-L31 WeakPolarHBondContact O-CD1 3.35Å; A27-L31 PolarHBondContact O-N 3.24Å
28	A	54	Low	46.4	Very low	55 Å²	55	95 Å²	95	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-64.9	-43.9	175.2	0	0	0	0	0	112.1	A24 L31 V32	A24-A28 VanDerWaalsContact O-CB 3.25Å; A24-A28 WeakPolarHBondContact O-CB 3.48Å; A24-A28 PolarHBondContact O-N 2.89Å; A28-L31 PolarHBondContact O-N 3.46Å; A28-V32 WeakPolarHBondContact O-CG2 3.19Å; A28-V32 PolarHBondContact O-N 3.37Å
29	L	51.1	Low	46.2	Very low	112 Å²	112	96.3 Å²	96.3	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-40.9	176.8	-166	70.4	0	0	0	111.5	A25 T26 V32 L33	A25-L29 WeakPolarHBondContact O-CB 3.35Å; A25-L29 PolarHBondContact O-N 3.14Å; T26-L29 PolarHBondContact O-N 3.07Å; L29-V32 PolarHBondContact O-N 3.43Å; L29-L33 HydrophobicContact CG-CD1 4.22Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 2.76Å
30	C	49.4	Very low	45.7	Very low	81 Å²	81	95.9 Å²	95.9	55%	0.547	59%	0.594	S	S	.	*	H	α-helix	trans	-66.9	-33.4	173.5	-71.4	0	0	0	0	112.9	T26 A27 A34	T26-C30 WeakPolarHBondContact O-CB 3.28Å; T26-C30 PolarHBondContact O-N 2.92Å; T26-C30 PolarHBondContact O-SG 2.8Å; A27-C30 PolarHBondContact O-N 3.14Å; C30-A34 WeakPolarHBondContact O-CB 3.44Å; C30-A34 PolarHBondContact O-N 3.28Å
31	L	50.2	Low	45.8	Very low	121 Å²	121	87.8 Å²	87.8	63%	0.634	58%	0.575	S	S	*	*	H	α-helix	trans	-66.5	-45.4	172.1	-106.1	82.6	0	0	0	111.5	A27 A28 L33 A34 T35	A27-L31 WeakPolarHBondContact O-CD1 3.35Å; A27-L31 PolarHBondContact O-N 3.24Å; A28-L31 PolarHBondContact O-N 3.46Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 2.97Å; L31-A34 PolarHBondContact O-N 2.57Å; L31-A34 VanDerWaalsContact O-N 3.16Å; L31-T35 PolarHBondContact O-N 3.33Å; L31-T35 PolarHBondContact O-OG1 2.92Å
32	V	50	Low	46.2	Very low	95 Å²	95	85.2 Å²	85.2	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-63.1	-41.2	178.1	171.4	0	0	0	0	111.1	A28 L29 T35 S36	A28-V32 WeakPolarHBondContact O-CG2 3.19Å; A28-V32 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 3.43Å; V32-T35 WeakPolarHBondContact CA-OG1 3.48Å; V32-T35 PolarHBondContact O-OG1 2.97Å; V32-S36 WeakPolarHBondContact O-CB 3.39Å; V32-S36 PolarHBondContact O-N 2.91Å
33	L	44.4	Very low	46.8	Very low	101 Å²	101	82.6 Å²	82.6	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-67.5	-34.8	173.3	-71	168	0	0	0	112.4	L29 L31 S36 V37	L29-L33 HydrophobicContact CG-CD1 4.22Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 2.76Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 2.97Å; L33-S36 WeakPolarHBondContact O-CB 3.5Å; L33-S36 PolarHBondContact O-N 2.87Å; L33-V37 WeakPolarHBondContact O-CG2 3.45Å; L33-V37 PolarHBondContact O-N 3.05Å
34	A	41	Very low	47.8	Very low	53 Å²	53	83.3 Å²	83.3	44%	0.438	56%	0.564	S	S	.	*	H	α-helix	trans	-70.9	-40.4	175.3	0	0	0	0	0	112.5	C30 L31 S36 V37	C30-A34 WeakPolarHBondContact O-CB 3.44Å; C30-A34 PolarHBondContact O-N 3.28Å; L31-A34 PolarHBondContact O-N 2.57Å; L31-A34 VanDerWaalsContact O-N 3.16Å; A34-S36 VanDerWaalsContact C-N 3.25Å; A34-S36 PolarHBondContact O-N 3.48Å; A34-V37 PolarHBondContact O-N 3.4Å; A34-V37 VanDerWaalsContact O-N 3.12Å
35	T	39.7	Very low	49.6	Very low	94 Å²	94	81.2 Å²	81.2	58%	0.577	54%	0.544	S	S	*	.	H	α-helix	trans	-65.5	-32	172.7	51.6	0	0	0	0	111.6	L31 V32 V37 C38	L31-T35 PolarHBondContact O-N 3.33Å; L31-T35 PolarHBondContact O-OG1 2.92Å; V32-T35 WeakPolarHBondContact CA-OG1 3.48Å; V32-T35 PolarHBondContact O-OG1 2.97Å; T35-V37 PolarHBondContact O-N 2.87Å; T35-C38 PolarHBondContact O-N 3.24Å
36	S	34.8	Very low	51.4	Low	91 Å²	91	80.9 Å²	80.9	64%	0.636	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.7	173.1	-171.1	0	0	0	0	114.6	V32 L33 A34	V32-S36 WeakPolarHBondContact O-CB 3.39Å; V32-S36 PolarHBondContact O-N 2.91Å; L33-S36 WeakPolarHBondContact O-CB 3.5Å; L33-S36 PolarHBondContact O-N 2.87Å; A34-S36 VanDerWaalsContact C-N 3.25Å; A34-S36 PolarHBondContact O-N 3.48Å
37	V	36.5	Very low	53.1	Low	117 Å²	117	82.1 Å²	82.1	71%	0.709	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-10.8	-177.7	168.6	0	0	0	0	112.4	L33 A34 T35	L33-V37 WeakPolarHBondContact O-CG2 3.45Å; L33-V37 PolarHBondContact O-N 3.05Å; A34-V37 PolarHBondContact O-N 3.4Å; A34-V37 VanDerWaalsContact O-N 3.12Å; T35-V37 PolarHBondContact O-N 2.87Å
38	C	34.1	Very low	54.9	Low	106 Å²	106	86.2 Å²	86.2	72%	0.716	55%	0.545	S	S	*	.	S	Bend	trans	-108.4	11.9	-171.4	-68.4	0	0	0	0	115.6	T35	T35-C38 PolarHBondContact O-N 3.24Å
39	T	38	Very low	56.9	Low	117 Å²	117	86.7 Å²	86.7	72%	0.718	54%	0.538	S	S	*	.			trans	-127.9	69.5	174.2	55.6	0	0	0	0	111.5	G41	T39-G41 PolarHBondContact O-N 3.42Å
40	A	36.3	Very low	58.9	Low	86 Å²	86	82.5 Å²	82.5	71%	0.711	51%	0.514	S	S	*	.			trans	-80.2	41.1	174.8	0	0	0	0	0	113.2
41	G	44.4	Very low	61	Low	37 Å²	37	82 Å²	82	38%	0.381	50%	0.504	S	S	.	.	S	Bend	trans	-71	150.2	158.9	0	0	0	0	0	109.1	T39 A43	T39-G41 PolarHBondContact O-N 3.42Å; G41-A43 PolarHBondContact O-N 2.81Å
42	A	52.8	Low	63.3	Low	47 Å²	47	82.9 Å²	82.9	39%	0.388	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-64.3	125.9	173.4	0	0	0	0	0	108.8
43	A	61.8	Low	65.5	Low	80 Å²	80	78.7 Å²	78.7	66%	0.661	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-61.9	139.2	170.8	0	0	0	0	0	108.6	G41 M45	G41-A43 PolarHBondContact O-N 2.81Å; A43-M45 PolarHBondContact O-N 2.94Å; A43-M45 VanDerWaalsContact O-N 3.14Å
44	P	74.8	Confident	68	Low	108 Å²	108	74.1 Å²	74.1	70%	0.701	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-60.9	121.5	178.9	24.8	-33.2	0	0	0	109.7	S46	P44-S46 PolarHBondContact O-N 2.91Å
45	M	88.7	Confident	70.7	Confident	18 Å²	18	76.6 Å²	76.6	9%	0.089	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-52.6	131.8	177.9	-177.9	-178.9	-73.7	0	0	110.3	A43 E49 K50 L53 L424 E425 K428 F475	A43-M45 PolarHBondContact O-N 2.94Å; A43-M45 VanDerWaalsContact O-N 3.14Å; M45-E49 HydrophobicContact CE-CG 4.46Å; M45-E49 HydrophobicContact CG-CB 3.74Å; M45-E49 HydrophobicContact CG-CG 3.76Å; M45-E49 HydrophobicContact SD-CG 4.15Å; M45-K50 HydrophobicContact CG-CG 4.17Å; M45-K50 HydrophobicContact SD-CG 3.88Å; M45-L53 HydrophobicContact CE-CD1 3.55Å; M45-L53 HydrophobicContact SD-CD1 3.62Å; M45-L424 HydrophobicContact CB-CD1 3.93Å; M45-L424 HydrophobicContact CE-CB 3.7Å; M45-L424 HydrophobicContact SD-CB 3.92Å; M45-L424 HydrophobicContact SD-CD1 4.31Å; M45-E425 WeakPolarHBondContact CE-OE1 3.5Å; M45-K428 HydrophobicContact CE-CB 4.5Å; M45-K428 HydrophobicContact CE-CD 3.85Å; M45-F475 HydrophobicContact CE-CE1 4.18Å; M45-F475 HydrophobicContact SD-CD1 4.15Å; M45-F475 HydrophobicContact SD-CE1 3.93Å
46	S	90.4	Very high	73.5	Confident	52 Å²	52	74.7 Å²	74.7	36%	0.364	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-71.3	159.8	-176.8	94.7	0	0	0	0	111.6	P44 E48 E49 K50	P44-S46 PolarHBondContact O-N 2.91Å; S46-E48 WeakPolarHBondContact CB-OE2 3.18Å; S46-E48 PolarHBondContact O-N 3.25Å; S46-E48 PolarHBondContact OG-N 3.24Å; S46-E48 PolarHBondContact OG-OE2 3.05Å; S46-E49 PolarHBondContact O-N 3.28Å; S46-E49 VanDerWaalsContact O-N 3.11Å; S46-E49 PolarHBondContact OG-N 2.94Å; S46-K50 PolarHBondContact O-N 2.92Å
47	R	89.4	Confident	76.5	Confident	107 Å²	107	70.3 Å²	70.3	40%	0.404	42%	0.415	S	S	.	.	H	α-helix	trans	-59	-38.6	177.7	-167.8	177.7	-169.2	166.6	10.2	111.3	K50 Q51 D477 E479	R47-K50 PolarHBondContact O-N 3.46Å; R47-Q51 WeakPolarHBondContact O-CB 3.49Å; R47-Q51 WeakPolarHBondContact O-CG 3.35Å; R47-Q51 PolarHBondContact O-N 2.91Å; R47-D477 WeakPolarHBondContact CG-OD2 3.42Å; R47-D477 IonicContact CZ-OD2 3.84Å; R47-D477 IonicContact NE-OD2 2.93Å; R47-D477 PolarHBondContact NE-OD2 2.89Å; R47-D477 IonicContact NH2-OD2 2.66Å; R47-D477 PolarHBondContact NH2-OD2 3.3Å; R47-E479 IonicContact CZ-OE2 2.68Å; R47-E479 IonicContact NH1-OE2 3.04Å; R47-E479 PolarHBondContact NH1-OE2 2.88Å; R47-E479 IonicContact NH2-OE2 2.69Å; R47-E479 PolarHBondContact NH2-OE2 3.49Å
48	E	92.2	Very high	79.5	Confident	133 Å²	133	66.3 Å²	66.3	62%	0.621	39%	0.389	S	S	*	.	H	α-helix	trans	-67.5	-34.8	177.8	-52.3	78.6	-174.7	0	0	112	S46 K52	S46-E48 WeakPolarHBondContact CB-OE2 3.18Å; S46-E48 PolarHBondContact O-N 3.25Å; S46-E48 PolarHBondContact OG-N 3.24Å; S46-E48 PolarHBondContact OG-OE2 3.05Å; E48-K52 VanDerWaalsContact O-CB 3.26Å; E48-K52 WeakPolarHBondContact O-CB 3.47Å; E48-K52 PolarHBondContact O-N 3.5Å
49	E	94.1	Very high	82.5	Confident	65 Å²	65	65.4 Å²	65.4	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-74.2	-41.3	174.9	-173.4	169.3	-166.5	0	0	112	M45 S46 K52 L53 K428	M45-E49 HydrophobicContact CE-CG 4.46Å; M45-E49 HydrophobicContact CG-CB 3.74Å; M45-E49 HydrophobicContact CG-CG 3.76Å; M45-E49 HydrophobicContact SD-CG 4.15Å; S46-E49 PolarHBondContact O-N 3.28Å; S46-E49 VanDerWaalsContact O-N 3.11Å; S46-E49 PolarHBondContact OG-N 2.94Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 2.62Å; E49-L53 HydrophobicContact CG-CD1 4.45Å; E49-L53 WeakPolarHBondContact O-CG 3.42Å; E49-L53 PolarHBondContact O-N 2.82Å; E49-K428 WeakPolarHBondContact OE1-CE 3.32Å; E49-K428 IonicContact OE1-NZ 2.97Å; E49-K428 PolarHBondContact OE1-NZ 3.33Å
50	K	94.1	Very high	85.4	Confident	23 Å²	23	59.9 Å²	59.9	10%	0.1	34%	0.34	C	S	.	.	H	α-helix	trans	-54.7	-54.9	168.9	-82.2	-169.2	168.3	-159	0	111.5	M45 S46 R47 K52 L53 G54 Y415 D477	M45-K50 HydrophobicContact CG-CG 4.17Å; M45-K50 HydrophobicContact SD-CG 3.88Å; S46-K50 PolarHBondContact O-N 2.92Å; R47-K50 PolarHBondContact O-N 3.46Å; K50-K52 VanDerWaalsContact C-N 3.27Å; K50-K52 PolarHBondContact O-N 2.89Å; K50-L53 PolarHBondContact O-N 2.95Å; K50-G54 PolarHBondContact O-N 3.05Å; K50-Y415 PolarHBondContact NZ-OH 3.34Å; K50-D477 IonicContact NZ-OD1 3.26Å; K50-D477 PolarHBondContact NZ-OD1 3.13Å
51	Q	94.2	Very high	88.4	Confident	72 Å²	72	55.8 Å²	55.8	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-36.2	179.9	-75.1	-178.9	-24.9	0	0	111.6	R47 N55	R47-Q51 WeakPolarHBondContact O-CB 3.49Å; R47-Q51 WeakPolarHBondContact O-CG 3.35Å; R47-Q51 PolarHBondContact O-N 2.91Å; Q51-N55 WeakPolarHBondContact O-CB 3.42Å; Q51-N55 PolarHBondContact O-N 3.47Å; Q51-N55 PolarHBondContact O-ND2 2.96Å
52	K	96.8	Very high	91	Very high	138 Å²	138	57.6 Å²	57.6	60%	0.6	31%	0.307	S	S	*	.	H	α-helix	trans	-61.6	-43.5	172.1	-178.9	-165.9	168.2	-154.6	0	111.9	E48 E49 K50 Q56	E48-K52 VanDerWaalsContact O-CB 3.26Å; E48-K52 WeakPolarHBondContact O-CB 3.47Å; E48-K52 PolarHBondContact O-N 3.5Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 2.62Å; K50-K52 VanDerWaalsContact C-N 3.27Å; K50-K52 PolarHBondContact O-N 2.89Å; K52-Q56 WeakPolarHBondContact O-CB 3.43Å; K52-Q56 PolarHBondContact O-N 3.01Å
53	L	97.6	Very high	93.2	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-41.2	178.2	-68.9	169	0	0	0	112.2	M45 E49 K50 N55 Q56 V57 K428 I431 F475	M45-L53 HydrophobicContact CE-CD1 3.55Å; M45-L53 HydrophobicContact SD-CD1 3.62Å; E49-L53 HydrophobicContact CG-CD1 4.45Å; E49-L53 WeakPolarHBondContact O-CG 3.42Å; E49-L53 PolarHBondContact O-N 2.82Å; K50-L53 PolarHBondContact O-N 2.95Å; L53-N55 PolarHBondContact O-N 3.19Å; L53-Q56 CarbonylContact O-C 3.59Å; L53-Q56 WeakPolarHBondContact O-CA 3.31Å; L53-Q56 WeakPolarHBondContact O-CB 3.28Å; L53-Q56 PolarHBondContact O-N 3.34Å; L53-V57 WeakPolarHBondContact O-CG2 3.19Å; L53-V57 PolarHBondContact O-N 3.34Å; L53-K428 HydrophobicContact CD1-CB 3.97Å; L53-K428 HydrophobicContact CD1-CD 4.08Å; L53-K428 HydrophobicContact CD1-CG 4.15Å; L53-K428 HydrophobicContact CD2-CB 4.44Å; L53-K428 HydrophobicContact CD2-CG 4.18Å; L53-I431 HydrophobicContact CB-CD1 4.3Å; L53-I431 HydrophobicContact CD2-CD1 4.25Å; L53-F475 HydrophobicContact CB-CB 4.47Å; L53-F475 HydrophobicContact CB-CD1 3.93Å; L53-F475 HydrophobicContact CB-CD2 4.02Å; L53-F475 HydrophobicContact CB-CE1 4.21Å; L53-F475 HydrophobicContact CB-CE2 4.32Å; L53-F475 HydrophobicContact CB-CG 3.86Å; L53-F475 HydrophobicContact CB-CZ 4.41Å; L53-F475 HydrophobicContact CD1-CD1 3.92Å; L53-F475 HydrophobicContact CD1-CE1 3.51Å; L53-F475 HydrophobicContact CD1-CZ 3.92Å
54	G	96.7	Very high	94.9	Very high	6 Å²	6	53.1 Å²	53.1	6%	0.062	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-43.9	172.3	0	0	0	0	0	112.4	K50 Q56 V57 L58	K50-G54 PolarHBondContact O-N 3.05Å; G54-Q56 VanDerWaalsContact C-N 3.31Å; G54-Q56 PolarHBondContact O-N 3.27Å; G54-V57 PolarHBondContact O-N 3.47Å; G54-L58 WeakPolarHBondContact O-CG 3.39Å; G54-L58 PolarHBondContact O-N 3.27Å
55	N	97.3	Very high	96	Very high	104 Å²	104	48.9 Å²	48.9	56%	0.556	24%	0.235	S	C	*	.	H	α-helix	trans	-64.9	-32	172.4	-78.6	-70.1	0	0	0	113	Q51 L53 L58 E59	Q51-N55 WeakPolarHBondContact O-CB 3.42Å; Q51-N55 PolarHBondContact O-N 3.47Å; Q51-N55 PolarHBondContact O-ND2 2.96Å; L53-N55 PolarHBondContact O-N 3.19Å; N55-L58 PolarHBondContact O-N 2.97Å; N55-E59 PolarHBondContact O-N 3.29Å
56	Q	98.3	Very high	96.5	Very high	54 Å²	54	49.5 Å²	49.5	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-69.9	-37.3	172.9	-173.7	171.7	-12.3	0	0	111.7	K52 L53 G54 E59 M60 I431 N435	K52-Q56 WeakPolarHBondContact O-CB 3.43Å; K52-Q56 PolarHBondContact O-N 3.01Å; L53-Q56 CarbonylContact O-C 3.59Å; L53-Q56 WeakPolarHBondContact O-CA 3.31Å; L53-Q56 WeakPolarHBondContact O-CB 3.28Å; L53-Q56 PolarHBondContact O-N 3.34Å; G54-Q56 VanDerWaalsContact C-N 3.31Å; G54-Q56 PolarHBondContact O-N 3.27Å; Q56-E59 PolarHBondContact O-N 2.85Å; Q56-M60 HydrophobicContact CG-SD 4.39Å; Q56-M60 WeakPolarHBondContact O-CG 3.24Å; Q56-M60 PolarHBondContact O-N 2.69Å; Q56-I431 HydrophobicContact CG-CG2 3.93Å; Q56-I431 VanDerWaalsContact NE2-CG2 3.34Å; Q56-N435 PolarHBondContact NE2-ND2 3.02Å; Q56-N435 VanDerWaalsContact NE2-ND2 3.16Å
57	V	98.4	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-42.8	172	173.2	0	0	0	0	111.1	L53 G54 E59 M60 F61 I431 F468 L471	L53-V57 WeakPolarHBondContact O-CG2 3.19Å; L53-V57 PolarHBondContact O-N 3.34Å; G54-V57 PolarHBondContact O-N 3.47Å; V57-E59 PolarHBondContact O-N 3.41Å; V57-M60 PolarHBondContact O-N 2.92Å; 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 4Å; V57-F468 HydrophobicContact CG1-CB 4.39Å; V57-F468 HydrophobicContact CG1-CD1 4.1Å; V57-L471 HydrophobicContact CG1-CB 4.18Å; V57-L471 HydrophobicContact CG2-CB 3.9Å
58	L	98.3	Very high	97.3	Very high	32 Å²	32	43 Å²	43	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-43.2	174.1	-69	172.6	0	0	0	111.9	G54 N55 F61 D62 L118 Y472	G54-L58 WeakPolarHBondContact O-CG 3.39Å; G54-L58 PolarHBondContact O-N 3.27Å; N55-L58 PolarHBondContact O-N 2.97Å; L58-F61 PolarHBondContact O-N 2.92Å; L58-D62 WeakPolarHBondContact O-CB 3.46Å; L58-D62 PolarHBondContact O-N 3.29Å; L58-L118 HydrophobicContact CD2-CB 3.73Å; L58-L118 HydrophobicContact CD2-CD1 4.33Å; L58-L118 HydrophobicContact CD2-CD2 3.94Å; L58-L118 HydrophobicContact CD2-CG 4.2Å; L58-Y472 HydrophobicContact CD1-CE2 4.02Å; L58-Y472 HydrophobicContact CD2-CD2 4.1Å; L58-Y472 HydrophobicContact CD2-CE2 3.92Å; L58-Y472 HydrophobicContact CG-CD2 4.12Å; L58-Y472 HydrophobicContact CG-CE2 3.93Å
59	E	98.4	Very high	97.6	Very high	88 Å²	88	38.7 Å²	38.7	41%	0.411	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-39.9	176.5	-170.9	-84.2	155.5	0	0	112.6	N55 Q56 V57 D62 H63 R439	N55-E59 PolarHBondContact O-N 3.29Å; Q56-E59 PolarHBondContact O-N 2.85Å; V57-E59 PolarHBondContact O-N 3.41Å; E59-D62 PolarHBondContact O-N 2.83Å; E59-H63 WeakPolarHBondContact O-CB 3.48Å; E59-H63 PolarHBondContact O-N 2.87Å; E59-R439 IonicContact OE1-CZ 3.99Å; E59-R439 IonicContact OE1-NH1 2.66Å; E59-R439 PolarHBondContact OE1-NH1 3.02Å; E59-R439 IonicContact OE1-NH2 2.62Å; E59-R439 PolarHBondContact OE1-NH2 3.37Å; E59-R439 IonicContact OE2-CZ 3.6Å; E59-R439 IonicContact OE2-NH1 3.43Å; E59-R439 PolarHBondContact OE2-NH1 2.9Å; E59-R439 IonicContact OE2-NH2 3.34Å
60	M	98.8	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-39.8	175	-65.4	166.2	76.5	0	0	112.1	Q56 V57 H63 A64 I431 L434 N435 F444 F468	Q56-M60 HydrophobicContact CG-SD 4.39Å; Q56-M60 WeakPolarHBondContact O-CG 3.24Å; Q56-M60 PolarHBondContact O-N 2.69Å; V57-M60 PolarHBondContact O-N 2.92Å; M60-H63 PolarHBondContact O-N 2.88Å; M60-A64 WeakPolarHBondContact O-CB 3.42Å; M60-A64 PolarHBondContact O-N 3.09Å; M60-I431 HydrophobicContact SD-CG2 3.95Å; M60-L434 HydrophobicContact CE-CB 3.55Å; M60-L434 HydrophobicContact CE-CD1 3.97Å; M60-L434 HydrophobicContact CE-CG 4.42Å; M60-N435 WeakPolarHBondContact CE-ND2 3.43Å; M60-N435 PolarHBondContact SD-ND2 2.94Å; M60-F444 HydrophobicContact CB-CE2 4.17Å; M60-F444 HydrophobicContact CB-CZ 3.86Å; M60-F444 HydrophobicContact CE-CE1 3.77Å; M60-F444 HydrophobicContact CE-CZ 3.73Å; M60-F444 HydrophobicContact CG-CZ 3.95Å; M60-F468 HydrophobicContact CB-CD1 4.29Å; M60-F468 HydrophobicContact CB-CE1 3.39Å; M60-F468 HydrophobicContact CB-CZ 3.79Å; M60-F468 HydrophobicContact CE-CE1 4Å; M60-F468 HydrophobicContact CG-CE1 4.46Å; M60-F468 HydrophobicContact SD-CE1 4.39Å
61	F	98.8	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-47	174	179.7	-85.4	0	0	0	110.9	V57 L58 H63 A64 Y65 T114 L115 L118 K120 L464 F468	V57-F61 PolarHBondContact O-N 3.06Å; L58-F61 PolarHBondContact O-N 2.92Å; F61-H63 VanDerWaalsContact C-N 3.3Å; F61-H63 PolarHBondContact O-N 3.39Å; F61-A64 PolarHBondContact O-N 2.8Å; F61-A64 VanDerWaalsContact O-N 3.08Å; F61-Y65 AromaticContact CE1-CD1 4Å; F61-Y65 HydrophobicContact CE1-CD1 4Å; F61-Y65 HydrophobicContact CE1-CD2 4.48Å; F61-Y65 AromaticContact CE1-CG 3.78Å; F61-Y65 HydrophobicContact CE1-CG 3.78Å; F61-Y65 HydrophobicContact CZ-CD1 4.45Å; F61-Y65 HydrophobicContact CZ-CD2 4.15Å; F61-Y65 AromaticContact CZ-CG 3.9Å; F61-Y65 HydrophobicContact CZ-CG 3.9Å; F61-Y65 VanDerWaalsContact O-CB 3.31Å; F61-Y65 WeakPolarHBondContact O-CB 3.47Å; F61-Y65 PolarHBondContact O-N 3.3Å; F61-T114 HydrophobicContact CD2-CG2 4.18Å; F61-T114 HydrophobicContact CE2-CG2 3.66Å; F61-T114 HydrophobicContact CZ-CG2 4.35Å; F61-L115 HydrophobicContact CE1-CD2 3.64Å; F61-L115 HydrophobicContact CZ-CD2 3.73Å; F61-L115 HydrophobicContact CZ-CG 4.33Å; F61-L118 HydrophobicContact CB-CD1 3.78Å; F61-L118 HydrophobicContact CD1-CD1 3.62Å; F61-L118 HydrophobicContact CD2-CD1 3.4Å; F61-L118 VanDerWaalsContact CD2-CD1 3.4Å; F61-L118 HydrophobicContact CE1-CD1 4.03Å; F61-L118 HydrophobicContact CE2-CD1 3.82Å; F61-L118 HydrophobicContact CG-CD1 3.28Å; F61-L118 HydrophobicContact CZ-CD1 4.12Å; F61-K120 HydrophobicContact CD1-CD 4.18Å; F61-K120 HydrophobicContact CE1-CD 4.08Å; F61-L464 HydrophobicContact CE2-CB 4.26Å; F61-F468 HydrophobicContact CB-CB 4.28Å; F61-F468 HydrophobicContact CB-CD1 4.5Å; F61-F468 HydrophobicContact CB-CD2 4.08Å; F61-F468 HydrophobicContact CB-CG 4.04Å; F61-F468 HydrophobicContact CD2-CB 3.84Å; F61-F468 AromaticContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CG 4.05Å; F61-F468 HydrophobicContact CG-CD2 4.37Å
62	D	98.6	Very high	98.2	Very high	75 Å²	75	41.3 Å²	41.3	40%	0.401	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-37.6	177.5	-78.6	-38.5	0	0	0	112	L58 E59 G66 K120	L58-D62 WeakPolarHBondContact O-CB 3.46Å; L58-D62 PolarHBondContact O-N 3.29Å; E59-D62 PolarHBondContact O-N 2.83Å; D62-G66 VanDerWaalsContact O-CA 3.28Å; D62-G66 WeakPolarHBondContact O-CA 3.49Å; D62-G66 PolarHBondContact O-N 2.95Å; D62-K120 WeakPolarHBondContact OD1-CE 3.2Å; D62-K120 IonicContact OD1-NZ 3.73Å; D62-K120 PolarHBondContact OD1-NZ 3.12Å; D62-K120 IonicContact OD2-NZ 2.87Å; D62-K120 PolarHBondContact OD2-NZ 3.31Å
63	H	98.7	Very high	98.2	Very high	33 Å²	33	37.1 Å²	37.1	15%	0.153	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-42.1	171.3	178.2	89.4	0	0	0	112.2	E59 M60 F61 N67 R439 V440 P441 G443 F444	E59-H63 WeakPolarHBondContact O-CB 3.48Å; E59-H63 PolarHBondContact O-N 2.87Å; M60-H63 PolarHBondContact O-N 2.88Å; F61-H63 VanDerWaalsContact C-N 3.3Å; F61-H63 PolarHBondContact O-N 3.39Å; H63-N67 WeakPolarHBondContact O-CB 3.41Å; H63-N67 PolarHBondContact O-N 2.89Å; H63-N67 PolarHBondContact O-ND2 3.21Å; H63-R439 PolarHBondContact ND1-NH2 2.77Å; H63-V440 PolarHBondContact CE1-O 2.9Å; H63-V440 VanDerWaalsContact CE1-O 3.31Å; H63-V440 PolarHBondContact NE2-O 3.36Å; H63-P441 PolarHBondContact CE1-O 3.1Å; H63-G443 PolarHBondContact NE2-N 2.63Å; H63-G443 PolarHBondContact NE2-O 3.04Å; H63-F444 AromaticContact CD2-CE2 3.66Å
64	A	98.6	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-79.5	-52.4	-176.2	0	0	0	0	0	112.9	M60 F61 Y68 F444 M459 F463 L464 F468	M60-A64 WeakPolarHBondContact O-CB 3.42Å; M60-A64 PolarHBondContact O-N 3.09Å; F61-A64 PolarHBondContact O-N 2.8Å; F61-A64 VanDerWaalsContact O-N 3.08Å; A64-Y68 PolarHBondContact O-N 3.22Å; A64-F444 HydrophobicContact CB-CD2 3.93Å; A64-F444 HydrophobicContact CB-CE2 4.22Å; A64-M459 HydrophobicContact CB-CE 4.17Å; A64-M459 HydrophobicContact CB-SD 4.11Å; A64-F463 HydrophobicContact CB-CE1 4.5Å; A64-L464 HydrophobicContact CB-CD2 3.57Å; A64-F468 HydrophobicContact CB-CE2 3.81Å; A64-F468 HydrophobicContact CB-CZ 4.31Å
65	Y	98.7	Very high	98.2	Very high	19 Å²	19	40.8 Å²	40.8	8%	0.075	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-40.3	177.7	-179.1	-105.6	0	0	0	111.8	F61 N67 Y68 M69 S111 L115 L464	F61-Y65 AromaticContact CE1-CD1 4Å; F61-Y65 HydrophobicContact CE1-CD1 4Å; F61-Y65 HydrophobicContact CE1-CD2 4.48Å; F61-Y65 AromaticContact CE1-CG 3.78Å; F61-Y65 HydrophobicContact CE1-CG 3.78Å; F61-Y65 HydrophobicContact CZ-CD1 4.45Å; F61-Y65 HydrophobicContact CZ-CD2 4.15Å; F61-Y65 AromaticContact CZ-CG 3.9Å; F61-Y65 HydrophobicContact CZ-CG 3.9Å; F61-Y65 VanDerWaalsContact O-CB 3.31Å; F61-Y65 WeakPolarHBondContact O-CB 3.47Å; F61-Y65 PolarHBondContact O-N 3.3Å; Y65-N67 PolarHBondContact O-N 3.44Å; Y65-Y68 WeakPolarHBondContact O-CB 3.47Å; Y65-Y68 PolarHBondContact O-N 3.03Å; Y65-M69 HydrophobicContact CD1-CG 4.17Å; Y65-M69 HydrophobicContact CD2-CG 4.41Å; Y65-M69 HydrophobicContact CE1-CG 3.79Å; Y65-M69 HydrophobicContact CE2-CG 4.04Å; Y65-M69 HydrophobicContact CE2-SD 4.1Å; Y65-M69 HydrophobicContact CG-CG 4.47Å; Y65-M69 WeakPolarHBondContact O-CG 3.43Å; Y65-M69 PolarHBondContact O-N 2.78Å; Y65-S111 WeakPolarHBondContact CE2-OG 3.32Å; Y65-L115 HydrophobicContact CD1-CD2 4.26Å; Y65-L115 HydrophobicContact CE1-CD2 3.92Å; Y65-L115 HydrophobicContact CE2-CD1 4.4Å; Y65-L464 HydrophobicContact CD2-CD1 3.88Å; Y65-L464 HydrophobicContact CG-CD1 4.44Å
66	G	98.4	Very high	98.1	Very high	32 Å²	32	36 Å²	36	33%	0.33	19%	0.189	S	C	.	.	H	α-helix	trans	-59.8	-47	176.1	0	0	0	0	0	112.3	D62 Y68 M69 E70	D62-G66 VanDerWaalsContact O-CA 3.28Å; D62-G66 WeakPolarHBondContact O-CA 3.49Å; D62-G66 PolarHBondContact O-N 2.95Å; G66-Y68 PolarHBondContact O-N 3.49Å; G66-M69 PolarHBondContact O-N 3.33Å; G66-E70 PolarHBondContact O-N 3.47Å
67	N	98.6	Very high	98.1	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.123	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-34.4	174.9	-83.7	-75	0	0	0	113	H63 Y65 E70 H71 L78 C442	H63-N67 WeakPolarHBondContact O-CB 3.41Å; H63-N67 PolarHBondContact O-N 2.89Å; H63-N67 PolarHBondContact O-ND2 3.21Å; Y65-N67 PolarHBondContact O-N 3.44Å; N67-E70 PolarHBondContact O-N 3.26Å; N67-H71 WeakPolarHBondContact O-CB 3.4Å; N67-H71 PolarHBondContact O-N 2.04Å; N67-H71 PolarHBondContact OD1-CD2 2.88Å; N67-L78 HydrophobicContact CB-CD2 4.07Å; N67-C442 WeakPolarHBondContact OD1-CA 3.33Å
68	Y	98.7	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-60.5	-47	170.3	169	-99.9	0	0	0	111.1	A64 Y65 G66 E70 A72 Y73 A75 L78 T107 L108	A64-Y68 PolarHBondContact O-N 3.22Å; Y65-Y68 WeakPolarHBondContact O-CB 3.47Å; Y65-Y68 PolarHBondContact O-N 3.03Å; G66-Y68 PolarHBondContact O-N 3.49Å; Y68-E70 PolarHBondContact O-N 3.12Å; Y68-A72 HydrophobicContact CD2-CB 3.56Å; Y68-A72 HydrophobicContact CE2-CB 3.88Å; Y68-A72 HydrophobicContact CG-CB 4.43Å; Y68-A72 WeakPolarHBondContact O-CA 3.01Å; Y68-A72 WeakPolarHBondContact O-CB 3.47Å; Y68-A72 PolarHBondContact O-N 3.43Å; Y68-Y73 PolarHBondContact O-N 2.77Å; Y68-A75 WeakPolarHBondContact CE2-O 3.37Å; Y68-A75 PolarHBondContact OH-O 3.49Å; Y68-L78 HydrophobicContact CD2-CB 4.26Å; Y68-T107 HydrophobicContact CD1-CG2 3.91Å; Y68-T107 HydrophobicContact CD2-CG2 3.8Å; Y68-T107 HydrophobicContact CE1-CG2 4.09Å; Y68-T107 HydrophobicContact CE2-CG2 4.01Å; Y68-T107 HydrophobicContact CG-CG2 3.79Å; Y68-L108 HydrophobicContact CE1-CB 4.02Å
69	M	98.4	Very high	98	Very high	41 Å²	41	32.7 Å²	32.7	20%	0.202	17%	0.173	C	C	.	.	I	π-helix	trans	-69.1	-28.3	-179.4	-68.8	-53.4	-52.9	0	0	114	Y65 G66 Y73 L108 K130	Y65-M69 HydrophobicContact CD1-CG 4.17Å; Y65-M69 HydrophobicContact CD2-CG 4.41Å; Y65-M69 HydrophobicContact CE1-CG 3.79Å; Y65-M69 HydrophobicContact CE2-CG 4.04Å; Y65-M69 HydrophobicContact CE2-SD 4.1Å; Y65-M69 HydrophobicContact CG-CG 4.47Å; Y65-M69 WeakPolarHBondContact O-CG 3.43Å; Y65-M69 PolarHBondContact O-N 2.78Å; G66-M69 PolarHBondContact O-N 3.33Å; M69-Y73 HydrophobicContact CE-CD1 3.65Å; M69-Y73 HydrophobicContact CE-CD2 3.96Å; M69-Y73 HydrophobicContact CE-CE1 4.01Å; M69-Y73 HydrophobicContact CE-CE2 4.34Å; M69-Y73 HydrophobicContact CE-CG 3.61Å; M69-Y73 HydrophobicContact SD-CD2 4.47Å; M69-Y73 HydrophobicContact SD-CG 4.2Å; M69-L108 HydrophobicContact CE-CD1 4.49Å; M69-L108 HydrophobicContact SD-CD1 3.94Å; M69-K130 HydrophobicContact CE-CD 3.62Å
70	E	98.2	Very high	98	Very high	150 Å²	150	28.5 Å²	28.5	70%	0.701	15%	0.153	S	C	*	.	I	π-helix	trans	-86.5	-37.2	177.7	-166.7	-179.8	147.4	0	0	113.3	G66 N67 Y68	G66-E70 PolarHBondContact O-N 3.47Å; N67-E70 PolarHBondContact O-N 3.26Å; Y68-E70 PolarHBondContact O-N 3.12Å
71	H	97.9	Very high	97.9	Very high	59 Å²	59	32.1 Å²	32.1	27%	0.273	17%	0.172	S	C	.	.	I	π-helix	trans	-115.9	-20.6	-167.2	-61.3	-22.8	0	0	0	115.1	N67 L78 R84 G85	N67-H71 WeakPolarHBondContact O-CB 3.4Å; N67-H71 PolarHBondContact O-N 2.04Å; N67-H71 PolarHBondContact OD1-CD2 2.88Å; H71-L78 HydrophobicContact CB-CD1 4.16Å; H71-R84 CarbonylContact O-C 3.51Å; H71-R84 VanDerWaalsContact O-CA 3.26Å; H71-R84 WeakPolarHBondContact O-CA 3.48Å; H71-G85 PolarHBondContact O-N 3.16Å; H71-G85 VanDerWaalsContact O-N 3.09Å
72	A	97.8	Very high	97.8	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	19%	0.194	C	C	.	.	I	π-helix	trans	-115.1	-50.8	-174.5	0	0	0	0	0	114.2	Y68 A75 L78	Y68-A72 HydrophobicContact CD2-CB 3.56Å; Y68-A72 HydrophobicContact CE2-CB 3.88Å; Y68-A72 HydrophobicContact CG-CB 4.43Å; Y68-A72 WeakPolarHBondContact O-CA 3.01Å; Y68-A72 WeakPolarHBondContact O-CB 3.47Å; Y68-A72 PolarHBondContact O-N 3.43Å; A72-A75 WeakPolarHBondContact O-CA 3.31Å; A72-A75 WeakPolarHBondContact O-CB 3.49Å; A72-A75 PolarHBondContact O-N 2.92Å; A72-L78 HydrophobicContact CB-CB 3.95Å; A72-L78 HydrophobicContact CB-CD1 3.76Å; A72-L78 HydrophobicContact CB-CG 4.45Å
73	Y	97.7	Very high	97.8	Very high	49 Å²	49	34.5 Å²	34.5	19%	0.192	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	130.9	-179.8	160.5	-98.5	0	0	0	111.7	Y68 M69 L108 K130 R133 D134	Y68-Y73 PolarHBondContact O-N 2.77Å; M69-Y73 HydrophobicContact CE-CD1 3.65Å; M69-Y73 HydrophobicContact CE-CD2 3.96Å; M69-Y73 HydrophobicContact CE-CE1 4.01Å; M69-Y73 HydrophobicContact CE-CE2 4.34Å; M69-Y73 HydrophobicContact CE-CG 3.61Å; M69-Y73 HydrophobicContact SD-CD2 4.47Å; M69-Y73 HydrophobicContact SD-CG 4.2Å; Y73-L108 HydrophobicContact CD2-CD2 3.97Å; Y73-L108 HydrophobicContact CE2-CD2 3.77Å; Y73-K130 HydrophobicContact CE1-CD 4.27Å; Y73-K130 HydrophobicContact CE2-CB 4.2Å; Y73-K130 HydrophobicContact CE2-CD 4.17Å; Y73-K130 WeakPolarHBondContact OH-CG 3.4Å; Y73-R133 PolarHBondContact OH-NH2 3.01Å; Y73-D134 PolarHBondContact OH-OD2 2.98Å
74	P	96.2	Very high	97.7	Very high	79 Å²	79	37.1 Å²	37.1	51%	0.513	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.9	18.1	11.5	37.7	-37.9	0	0	0	115.7	S105	P74-S105 WeakPolarHBondContact CA-OG 3.5Å; P74-S105 WeakPolarHBondContact CB-OG 3.12Å; P74-S105 WeakPolarHBondContact O-CB 3.47Å; P74-S105 PolarHBondContact O-OG 3.43Å
75	A	96.6	Very high	97.6	Very high	12 Å²	12	37.8 Å²	37.8	10%	0.099	21%	0.206	C	C	.	.	S	Bend	trans	-62.8	162	173	0	0	0	0	0	112.6	Y68 A72 V87	Y68-A75 WeakPolarHBondContact CE2-O 3.37Å; Y68-A75 PolarHBondContact OH-O 3.49Å; A72-A75 WeakPolarHBondContact O-CA 3.31Å; A72-A75 WeakPolarHBondContact O-CB 3.49Å; A72-A75 PolarHBondContact O-N 2.92Å; A75-V87 HydrophobicContact CB-CG2 3.87Å
76	D	96.8	Very high	97.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	21%	0.205	C	C	.	.	S	Bend	trans	-74.2	-41.3	-174.9	-65.3	-43.5	0	0	0	112.3	L101 K103 F104 S105 L106 T107	D76-L101 HydrophobicContact CB-CB 4.2Å; D76-L101 HydrophobicContact CB-CD2 3.65Å; D76-L101 HydrophobicContact CB-CG 4.45Å; D76-K103 WeakPolarHBondContact OD1-CA 3.47Å; D76-K103 PolarHBondContact OD1-N 3.18Å; D76-K103 WeakPolarHBondContact OD2-CA 3.35Å; D76-K103 PolarHBondContact OD2-N 2.92Å; D76-F104 PolarHBondContact OD1-N 2.94Å; D76-S105 PolarHBondContact OD1-N 2.88Å; D76-L106 HydrophobicContact CB-CB 3.78Å; D76-L106 PolarHBondContact OD1-N 2.68Å; D76-T107 WeakPolarHBondContact O-CB 3.26Å; D76-T107 PolarHBondContact O-N 2.76Å; D76-T107 PolarHBondContact O-OG1 3.47Å
77	E	97.1	Very high	96.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163.7	179.1	-78.1	176.8	-161.2	0	0	112.3	G85 R86 R94 L101	E77-G85 WeakPolarHBondContact O-CA 3.28Å; E77-R86 HydrophobicContact CB-CB 4.07Å; E77-R86 PolarHBondContact O-N 3.07Å; E77-R86 WeakPolarHBondContact OE2-CD 3.49Å; E77-R94 VanDerWaalsContact CD-NH2 3.27Å; E77-R94 IonicContact OE1-CZ 2.71Å; E77-R94 IonicContact OE1-NH1 2.7Å; E77-R94 IonicContact OE1-NH2 3.59Å; E77-R94 PolarHBondContact OE1-NH2 2.92Å; E77-R94 IonicContact OE2-CZ 2.91Å; E77-R94 VanDerWaalsContact OE2-CZ 3.28Å; E77-R94 IonicContact OE2-NH1 3.78Å; E77-R94 PolarHBondContact OE2-NH1 2.66Å; E77-R94 IonicContact OE2-NH2 3.2Å; E77-R94 PolarHBondContact OE2-NH2 2.86Å; E77-L101 HydrophobicContact CG-CD2 3.83Å
78	L	98.3	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.8	170.6	177.2	62.4	0	0	0	111.3	N67 Y68 H71 A72 P80 C442 M459	N67-L78 HydrophobicContact CB-CD2 4.07Å; Y68-L78 HydrophobicContact CD2-CB 4.26Å; H71-L78 HydrophobicContact CB-CD1 4.16Å; A72-L78 HydrophobicContact CB-CB 3.95Å; A72-L78 HydrophobicContact CB-CD1 3.76Å; A72-L78 HydrophobicContact CB-CG 4.45Å; L78-P80 HydrophobicContact CD2-CB 4.47Å; L78-P80 HydrophobicContact CG-CB 4.32Å; L78-P80 WeakPolarHBondContact O-CD 3.45Å; L78-C442 VanDerWaalsContact CD2-O 3.25Å; L78-C442 WeakPolarHBondContact CD2-O 3.28Å; L78-M459 HydrophobicContact CB-CB 4.39Å; L78-M459 HydrophobicContact CB-CE 4.21Å; L78-M459 HydrophobicContact CD2-CE 3.68Å; L78-M459 HydrophobicContact CD2-SD 4.13Å; L78-M459 PolarHBondContact O-N 3.19Å
79	M	97.8	Very high	95.4	Very high	15 Å²	15	42.9 Å²	42.9	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	94.2	167.9	-61.3	-170.4	67.7	0	0	107.8	L81 T82 C83 R84 R86 E91 D457	M79-L81 PolarHBondContact O-N 3.35Å; M79-T82 PolarHBondContact O-N 3.31Å; M79-C83 WeakPolarHBondContact O-CA 3.43Å; M79-C83 PolarHBondContact O-N 2.92Å; M79-R84 HydrophobicContact CB-CG 4.03Å; M79-R84 WeakPolarHBondContact CB-O 3.45Å; M79-R84 PolarHBondContact N-O 2.7Å; M79-R84 PolarHBondContact O-N 3.27Å; M79-R84 PolarHBondContact SD-NH2 2.7Å; M79-R86 HydrophobicContact CG-CB 3.86Å; M79-R86 HydrophobicContact SD-CB 3.96Å; M79-R86 HydrophobicContact SD-CG 4.27Å; M79-E91 HydrophobicContact CE-CG 4.27Å; M79-E91 HydrophobicContact SD-CG 3.78Å; M79-D457 WeakPolarHBondContact CA-OD1 3.44Å; M79-D457 WeakPolarHBondContact CB-OD1 3.33Å; M79-D457 HydrophobicContact CE-CB 3.99Å; M79-D457 WeakPolarHBondContact CE-O 3.48Å; M79-D457 WeakPolarHBondContact CE-OD2 3.36Å
80	P	97.7	Very high	94.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.5	-162.7	36.9	-40.9	0	0	0	114.4	L78 V440 C442 F444 A445 D457 M459	L78-P80 HydrophobicContact CD2-CB 4.47Å; L78-P80 HydrophobicContact CG-CB 4.32Å; L78-P80 WeakPolarHBondContact O-CD 3.45Å; P80-V440 HydrophobicContact CB-CG2 3.7Å; P80-V440 HydrophobicContact CG-CG2 4.18Å; P80-V440 WeakPolarHBondContact O-CG2 3.35Å; P80-C442 WeakPolarHBondContact CA-O 3.49Å; P80-C442 WeakPolarHBondContact CB-O 3.4Å; P80-C442 WeakPolarHBondContact O-CB 3.43Å; P80-F444 WeakPolarHBondContact CG-O 3.31Å; P80-A445 HydrophobicContact CG-CB 3.87Å; P80-D457 WeakPolarHBondContact CD-OD1 3.48Å; P80-D457 VanDerWaalsContact N-OD1 3.15Å; P80-M459 HydrophobicContact CG-CB 4.19Å
81	L	96.8	Very high	94.4	Very high	77 Å²	77	41.7 Å²	41.7	40%	0.403	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-32.6	170	-51.4	177.6	0	0	0	111.4	M79 V440 A445 H455 D457	M79-L81 PolarHBondContact O-N 3.35Å; L81-V440 HydrophobicContact CD2-CB 4.2Å; L81-V440 HydrophobicContact CD2-CG1 3.77Å; L81-V440 HydrophobicContact CD2-CG2 4.23Å; L81-A445 HydrophobicContact CD2-CB 3.75Å; L81-A445 HydrophobicContact CG-CB 4.17Å; L81-H455 HydrophobicContact CD1-CB 3.78Å; L81-H455 HydrophobicContact CD2-CB 4.15Å; L81-D457 WeakPolarHBondContact CA-OD1 3.19Å; L81-D457 HydrophobicContact CB-CB 4.2Å; L81-D457 VanDerWaalsContact CB-OD1 3.28Å; L81-D457 WeakPolarHBondContact CB-OD1 3.47Å; L81-D457 HydrophobicContact CD1-CB 3.94Å; L81-D457 HydrophobicContact CG-CB 4.21Å; L81-D457 PolarHBondContact N-OD1 3.17Å
82	T	96.6	Very high	93.7	Very high	73 Å²	73	44.4 Å²	44.4	45%	0.448	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	5.1	176.3	54.9	0	0	0	0	114.7	M79 R84 D457	M79-T82 PolarHBondContact O-N 3.31Å; T82-R84 PolarHBondContact O-N 2.76Å; T82-R84 VanDerWaalsContact OG1-CD 3.31Å; T82-R84 WeakPolarHBondContact OG1-CD 3.41Å; T82-R84 WeakPolarHBondContact OG1-CG 3.36Å; T82-R84 PolarHBondContact OG1-NE 2.79Å; T82-D457 WeakPolarHBondContact CB-OD2 3.33Å; T82-D457 WeakPolarHBondContact CG2-OD2 3.32Å; T82-D457 PolarHBondContact N-OD1 3.42Å; T82-D457 PolarHBondContact N-OD2 2.84Å; T82-D457 PolarHBondContact OG1-OD2 3.01Å
83	C	97.6	Very high	93	Very high	51 Å²	51	48 Å²	48	35%	0.345	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	53.3	172.8	-53.2	0	0	0	0	112.9	M79 C442	M79-C83 WeakPolarHBondContact O-CA 3.43Å; M79-C83 PolarHBondContact O-N 2.92Å; C83-C442 HydrophobicContact CB-CB 3.74Å; C83-C442 WeakPolarHBondContact CB-SG 3.05Å; C83-C442 WeakPolarHBondContact SG-CB 3.05Å; C83-C442 CovalentContact SG-SG 2.04Å; C83-C442 PolarHBondContact SG-SG 2.69Å
84	R	96.5	Very high	92.3	Very high	89 Å²	89	48.1 Å²	48.1	34%	0.336	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.7	-174.2	67.5	-166.3	-166.3	89.5	1.2	112.5	H71 M79 T82 E91	H71-R84 CarbonylContact O-C 3.51Å; H71-R84 VanDerWaalsContact O-CA 3.26Å; H71-R84 WeakPolarHBondContact O-CA 3.48Å; M79-R84 HydrophobicContact CB-CG 4.03Å; M79-R84 WeakPolarHBondContact CB-O 3.45Å; M79-R84 PolarHBondContact N-O 2.7Å; M79-R84 PolarHBondContact O-N 3.27Å; M79-R84 PolarHBondContact SD-NH2 2.7Å; T82-R84 PolarHBondContact O-N 2.76Å; T82-R84 VanDerWaalsContact OG1-CD 3.31Å; T82-R84 WeakPolarHBondContact OG1-CD 3.41Å; T82-R84 WeakPolarHBondContact OG1-CG 3.36Å; T82-R84 PolarHBondContact OG1-NE 2.79Å; R84-E91 IonicContact CZ-OE1 2.76Å; R84-E91 VanDerWaalsContact CZ-OE1 3.26Å; R84-E91 IonicContact NH1-OE1 4Å; R84-E91 PolarHBondContact NH1-OE1 3.37Å; R84-E91 IonicContact NH2-OE1 3.61Å; R84-E91 PolarHBondContact NH2-OE1 2.88Å
85	G	96.6	Very high	91.7	Very high	13 Å²	13	46 Å²	46	13%	0.134	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	147	172.1	0	0	0	0	0	113.9	H71 E77	H71-G85 PolarHBondContact O-N 3.16Å; H71-G85 VanDerWaalsContact O-N 3.09Å; E77-G85 WeakPolarHBondContact O-CA 3.28Å
86	R	94.1	Very high	90.9	Very high	14 Å²	14	51.1 Å²	51.1	5%	0.053	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.4	167.1	-175.4	176.4	-176.7	70.7	10	109.9	E77 M79 E91 P92 R94 D98 L101	E77-R86 HydrophobicContact CB-CB 4.07Å; E77-R86 PolarHBondContact O-N 3.07Å; E77-R86 WeakPolarHBondContact OE2-CD 3.49Å; M79-R86 HydrophobicContact CG-CB 3.86Å; M79-R86 HydrophobicContact SD-CB 3.96Å; M79-R86 HydrophobicContact SD-CG 4.27Å; R86-E91 HydrophobicContact CG-CG 4.42Å; R86-E91 VanDerWaalsContact NH1-CB 3.31Å; R86-P92 PolarHBondContact NH2-O 2.82Å; R86-R94 VanDerWaalsContact NE-CZ 3.3Å; R86-D98 IonicContact CZ-OD1 3.22Å; R86-D98 VanDerWaalsContact CZ-OD1 3.31Å; R86-D98 IonicContact CZ-OD2 2.74Å; R86-D98 IonicContact NE-OD1 3.75Å; R86-D98 PolarHBondContact NE-OD1 3.35Å; R86-D98 IonicContact NE-OD2 3.3Å; R86-D98 VanDerWaalsContact NH2-CG 3.27Å; R86-D98 IonicContact NH2-OD1 3.38Å; R86-D98 PolarHBondContact NH2-OD1 3.47Å; R86-D98 IonicContact NH2-OD2 3.17Å; R86-D98 PolarHBondContact NH2-OD2 3.4Å; R86-L101 HydrophobicContact CG-CD1 4.11Å
87	V	87.8	Confident	90.3	Very high	39 Å²	39	53.8 Å²	53.8	24%	0.236	32%	0.317	C	S	.	.			trans	-127.6	117.8	-176.2	-177.2	0	0	0	0	110.7	A75 G89 Q90 E91	A75-V87 HydrophobicContact CB-CG2 3.87Å; V87-G89 PolarHBondContact O-N 3Å; V87-Q90 HydrophobicContact CB-CB 4.47Å; V87-Q90 HydrophobicContact CB-CG 4.05Å; V87-Q90 HydrophobicContact CG1-CG 4.22Å; V87-Q90 PolarHBondContact O-N 3.08Å; V87-E91 PolarHBondContact N-OE2 3.42Å
88	R	84.9	Confident	89.9	Confident	52 Å²	52	53.8 Å²	53.8	20%	0.196	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	110	-176.1	-167.8	79.2	-165.8	-96.7	13.8	111.9	D98 D99 L101 K103 V141	R88-D98 WeakPolarHBondContact CD-O 3.36Å; R88-D98 PolarHBondContact NH1-O 2.88Å; R88-D99 IonicContact CZ-OD1 2.68Å; R88-D99 IonicContact NH1-OD1 3.16Å; R88-D99 PolarHBondContact NH1-OD1 3.29Å; R88-D99 IonicContact NH2-OD1 3.38Å; R88-D99 PolarHBondContact NH2-OD1 3.39Å; R88-L101 HydrophobicContact CB-CB 4.31Å; R88-K103 WeakPolarHBondContact O-CE 3.35Å; R88-K103 PolarHBondContact O-NZ 3.13Å; R88-V141 HydrophobicContact CG-CG2 4.37Å
89	G	82.6	Confident	89.5	Confident	77 Å²	77	54.4 Å²	54.4	79%	0.794	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	-3.7	-179.6	0	0	0	0	0	116.2	V87	V87-G89 PolarHBondContact O-N 3Å
90	Q	87.3	Confident	89.3	Confident	143 Å²	143	53.9 Å²	53.9	67%	0.668	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-48.1	169.6	-60	-167.8	34	0	0	111.2	V87	V87-Q90 HydrophobicContact CB-CB 4.47Å; V87-Q90 HydrophobicContact CB-CG 4.05Å; V87-Q90 HydrophobicContact CG1-CG 4.22Å; V87-Q90 PolarHBondContact O-N 3.08Å
91	E	87.9	Confident	89.1	Confident	23 Å²	23	53.9 Å²	53.9	11%	0.107	32%	0.319	C	S	.	.	S	Bend	trans	-77	157.5	173.7	-74.2	62.8	-122.2	0	0	112.5	M79 R84 R86 V87 S93	M79-E91 HydrophobicContact CE-CG 4.27Å; M79-E91 HydrophobicContact SD-CG 3.78Å; R84-E91 IonicContact CZ-OE1 2.76Å; R84-E91 VanDerWaalsContact CZ-OE1 3.26Å; R84-E91 IonicContact NH1-OE1 4Å; R84-E91 PolarHBondContact NH1-OE1 3.37Å; R84-E91 IonicContact NH2-OE1 3.61Å; R84-E91 PolarHBondContact NH2-OE1 2.88Å; R86-E91 HydrophobicContact CG-CG 4.42Å; R86-E91 VanDerWaalsContact NH1-CB 3.31Å; V87-E91 PolarHBondContact N-OE2 3.42Å; E91-S93 PolarHBondContact O-N 2.9Å
92	P	84.1	Confident	88.9	Confident	116 Å²	116	50.2 Å²	50.2	75%	0.753	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-52.6	137.9	158.2	-23.1	34.3	0	0	0	111.3	R86	R86-P92 PolarHBondContact NH2-O 2.82Å
93	S	83.1	Confident	88.8	Confident	81 Å²	81	51.4 Å²	51.4	57%	0.566	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-65.6	136.3	179.2	-176.5	0	0	0	0	111.5	E91 G95 D98	E91-S93 PolarHBondContact O-N 2.9Å; S93-G95 PolarHBondContact OG-N 3.32Å; S93-G95 VanDerWaalsContact OG-N 3.1Å; S93-D98 VanDerWaalsContact CA-OD2 3.28Å; S93-D98 WeakPolarHBondContact CA-OD2 3.38Å
94	R	82.4	Confident	88.7	Confident	52 Å²	52	49 Å²	49	20%	0.196	28%	0.282	C	S	.	.			trans	-82.8	5.5	168.5	-67.6	178.6	-57.9	-172	9.5	112.7	E77 R86 V97 D98	E77-R94 VanDerWaalsContact CD-NH2 3.27Å; E77-R94 IonicContact OE1-CZ 2.71Å; E77-R94 IonicContact OE1-NH1 2.7Å; E77-R94 IonicContact OE1-NH2 3.59Å; E77-R94 PolarHBondContact OE1-NH2 2.92Å; E77-R94 IonicContact OE2-CZ 2.91Å; E77-R94 VanDerWaalsContact OE2-CZ 3.28Å; E77-R94 IonicContact OE2-NH1 3.78Å; E77-R94 PolarHBondContact OE2-NH1 2.66Å; E77-R94 IonicContact OE2-NH2 3.2Å; E77-R94 PolarHBondContact OE2-NH2 2.86Å; R86-R94 VanDerWaalsContact NE-CZ 3.3Å; R94-V97 HydrophobicContact CB-CB 3.92Å; R94-V97 HydrophobicContact CB-CG1 4.16Å; R94-D98 IonicContact CZ-OD1 3.42Å; R94-D98 VanDerWaalsContact CZ-OD1 3.24Å; R94-D98 PolarHBondContact N-OD2 2.95Å; R94-D98 IonicContact NE-OD1 2.97Å; R94-D98 PolarHBondContact NE-OD1 3.11Å; R94-D98 IonicContact NH2-OD1 2.77Å; R94-D98 PolarHBondContact NH2-OD1 2.89Å
95	G	84.2	Confident	88.7	Confident	34 Å²	34	44.9 Å²	44.9	35%	0.351	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	80.8	-144.4	-170.2	0	0	0	0	0	110.9	S93 V97 D98	S93-G95 PolarHBondContact OG-N 3.32Å; S93-G95 VanDerWaalsContact OG-N 3.1Å; G95-V97 PolarHBondContact O-N 2.87Å; G95-V97 VanDerWaalsContact O-N 3.09Å; G95-D98 PolarHBondContact O-N 2.91Å
96	D	78.3	Confident	88.7	Confident	120 Å²	120	44.3 Å²	44.3	64%	0.642	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-56.3	-28.5	-175.4	-49.5	-41.9	0	0	0	113	D98 D99 R205	D96-D98 PolarHBondContact O-N 2.8Å; D96-D98 VanDerWaalsContact O-N 3.14Å; D96-D99 VanDerWaalsContact O-CB 3.31Å; D96-D99 WeakPolarHBondContact O-CB 3.41Å; D96-D99 PolarHBondContact O-N 3.22Å; D96-R205 IonicContact OD1-CZ 3.31Å; D96-R205 IonicContact OD1-NH2 2.86Å; D96-R205 PolarHBondContact OD1-NH2 2.88Å
97	V	84.1	Confident	89	Confident	58 Å²	58	43.6 Å²	43.6	35%	0.352	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-52.8	-32.7	174.7	175.4	0	0	0	0	113.1	R94 G95 D99	R94-V97 HydrophobicContact CB-CB 3.92Å; R94-V97 HydrophobicContact CB-CG1 4.16Å; G95-V97 PolarHBondContact O-N 2.87Å; G95-V97 VanDerWaalsContact O-N 3.09Å; V97-D99 VanDerWaalsContact C-N 3.28Å; V97-D99 PolarHBondContact O-N 3.48Å
98	D	89.1	Confident	89.5	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.016	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-80.7	-4.4	178.9	-73.2	-26.8	0	0	0	113.8	R86 R88 S93 R94 G95 D96 A100 L101	R86-D98 IonicContact CZ-OD1 3.22Å; R86-D98 VanDerWaalsContact CZ-OD1 3.31Å; R86-D98 IonicContact CZ-OD2 2.74Å; R86-D98 IonicContact NE-OD1 3.75Å; R86-D98 PolarHBondContact NE-OD1 3.35Å; R86-D98 IonicContact NE-OD2 3.3Å; R86-D98 VanDerWaalsContact NH2-CG 3.27Å; R86-D98 IonicContact NH2-OD1 3.38Å; R86-D98 PolarHBondContact NH2-OD1 3.47Å; R86-D98 IonicContact NH2-OD2 3.17Å; R86-D98 PolarHBondContact NH2-OD2 3.4Å; R88-D98 WeakPolarHBondContact CD-O 3.36Å; R88-D98 PolarHBondContact NH1-O 2.88Å; S93-D98 VanDerWaalsContact CA-OD2 3.28Å; S93-D98 WeakPolarHBondContact CA-OD2 3.38Å; R94-D98 IonicContact CZ-OD1 3.42Å; R94-D98 VanDerWaalsContact CZ-OD1 3.24Å; R94-D98 PolarHBondContact N-OD2 2.95Å; R94-D98 IonicContact NE-OD1 2.97Å; R94-D98 PolarHBondContact NE-OD1 3.11Å; R94-D98 IonicContact NH2-OD1 2.77Å; R94-D98 PolarHBondContact NH2-OD1 2.89Å; G95-D98 PolarHBondContact O-N 2.91Å; D96-D98 PolarHBondContact O-N 2.8Å; D96-D98 VanDerWaalsContact O-N 3.14Å; D98-A100 PolarHBondContact O-N 3.4Å; D98-L101 HydrophobicContact CB-CD1 4.24Å; D98-L101 VanDerWaalsContact O-CB 3.3Å; D98-L101 WeakPolarHBondContact O-CB 3.44Å; D98-L101 WeakPolarHBondContact O-CG 3.2Å; D98-L101 PolarHBondContact O-N 2.94Å
99	D	90.6	Very high	90.1	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.064	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-77.2	-5.8	-178.9	-67.1	-22.2	0	0	0	113.7	R88 D96 V97 L101 V143 S144 R205	R88-D99 IonicContact CZ-OD1 2.68Å; R88-D99 IonicContact NH1-OD1 3.16Å; R88-D99 PolarHBondContact NH1-OD1 3.29Å; R88-D99 IonicContact NH2-OD1 3.38Å; R88-D99 PolarHBondContact NH2-OD1 3.39Å; D96-D99 VanDerWaalsContact O-CB 3.31Å; D96-D99 WeakPolarHBondContact O-CB 3.41Å; D96-D99 PolarHBondContact O-N 3.22Å; V97-D99 VanDerWaalsContact C-N 3.28Å; V97-D99 PolarHBondContact O-N 3.48Å; D99-L101 VanDerWaalsContact C-N 3.28Å; D99-V143 CarbonylContact O-C 3.58Å; D99-V143 VanDerWaalsContact O-CA 3.23Å; D99-V143 WeakPolarHBondContact O-CA 3.25Å; D99-V143 WeakPolarHBondContact O-CB 3.45Å; D99-S144 PolarHBondContact O-N 3.31Å; D99-R205 IonicContact OD2-CZ 2.67Å; D99-R205 IonicContact OD2-NE 3.61Å; D99-R205 PolarHBondContact OD2-NE 3.45Å; D99-R205 IonicContact OD2-NH2 3.55Å; D99-R205 PolarHBondContact OD2-NH2 2.89Å
100	A	92.7	Very high	90.9	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.041	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-72.3	-18.8	160.6	0	0	0	0	0	113	D98 G102 F104 L106 E147	D98-A100 PolarHBondContact O-N 3.4Å; A100-G102 PolarHBondContact O-N 2.97Å; A100-F104 VanDerWaalsContact O-CZ 3.25Å; A100-F104 WeakPolarHBondContact O-CZ 3.38Å; A100-L106 HydrophobicContact CB-CD2 4.1Å; A100-E147 HydrophobicContact CB-CB 3.85Å; A100-E147 HydrophobicContact CB-CG 4.07Å
101	L	94.5	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.			trans	-92.7	84.5	-168.8	-47.3	-178	0	0	0	112.4	D76 E77 R86 R88 D98 D99 L106	D76-L101 HydrophobicContact CB-CB 4.2Å; D76-L101 HydrophobicContact CB-CD2 3.65Å; D76-L101 HydrophobicContact CB-CG 4.45Å; E77-L101 HydrophobicContact CG-CD2 3.83Å; R86-L101 HydrophobicContact CG-CD1 4.11Å; R88-L101 HydrophobicContact CB-CB 4.31Å; D98-L101 HydrophobicContact CB-CD1 4.24Å; D98-L101 VanDerWaalsContact O-CB 3.3Å; D98-L101 WeakPolarHBondContact O-CB 3.44Å; D98-L101 WeakPolarHBondContact O-CG 3.2Å; D98-L101 PolarHBondContact O-N 2.94Å; D99-L101 VanDerWaalsContact C-N 3.28Å; L101-L106 HydrophobicContact CD2-CD2 4.05Å
102	G	93	Very high	91.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.			trans	-92.9	13.2	-179	0	0	0	0	0	116.5	A100 N139 V141	A100-G102 PolarHBondContact O-N 2.97Å; G102-N139 PolarHBondContact O-ND2 2.91Å; G102-V141 WeakPolarHBondContact O-CG1 3.36Å
103	K	93.6	Very high	92.5	Very high	98 Å²	98	22.2 Å²	22.2	43%	0.426	13%	0.127	S	C	.	.	S	Bend	trans	59.8	43.8	-178.1	-54.3	177.8	-175.8	-178.8	0	112.9	D76 R88 N139	D76-K103 WeakPolarHBondContact OD1-CA 3.47Å; D76-K103 PolarHBondContact OD1-N 3.18Å; D76-K103 WeakPolarHBondContact OD2-CA 3.35Å; D76-K103 PolarHBondContact OD2-N 2.92Å; R88-K103 WeakPolarHBondContact O-CE 3.35Å; R88-K103 PolarHBondContact O-NZ 3.13Å; K103-N139 PolarHBondContact O-ND2 2.71Å
104	F	94.8	Very high	93.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-123.1	20	-178	46.7	-126.1	0	0	0	112.1	D76 A100 L106 I109 V135 L137 V143 V152 L208	D76-F104 PolarHBondContact OD1-N 2.94Å; A100-F104 VanDerWaalsContact O-CZ 3.25Å; A100-F104 WeakPolarHBondContact O-CZ 3.38Å; F104-L106 HydrophobicContact CD2-CB 4.13Å; F104-L106 HydrophobicContact CE2-CB 3.72Å; F104-L106 HydrophobicContact CE2-CD1 3.87Å; F104-L106 HydrophobicContact CE2-CG 4.29Å; F104-I109 HydrophobicContact CD2-CD1 4.41Å; F104-I109 VanDerWaalsContact O-CD1 3.25Å; F104-I109 WeakPolarHBondContact O-CD1 3.14Å; F104-V135 HydrophobicContact CB-CG1 3.85Å; F104-V135 VanDerWaalsContact O-CG2 3.31Å; F104-V135 WeakPolarHBondContact O-CG2 3.19Å; F104-L137 HydrophobicContact CB-CD2 4.28Å; F104-V143 HydrophobicContact CE1-CG1 4.48Å; F104-V152 HydrophobicContact CD2-CG1 4.4Å; F104-V152 HydrophobicContact CD2-CG2 4.1Å; F104-V152 HydrophobicContact CE1-CG2 4.08Å; F104-V152 HydrophobicContact CE2-CG1 4.44Å; F104-V152 HydrophobicContact CE2-CG2 3.36Å; F104-V152 HydrophobicContact CZ-CG2 3.37Å; F104-L208 HydrophobicContact CD1-CD1 4.02Å; F104-L208 HydrophobicContact CE1-CD1 4.12Å
105	S	96.9	Very high	94	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.021	9%	0.091	C	C	.	.			trans	57.6	49.7	-177.3	-50.5	0	0	0	0	112	P74 D76 T107 L108 I109	P74-S105 WeakPolarHBondContact CA-OG 3.5Å; P74-S105 WeakPolarHBondContact CB-OG 3.12Å; P74-S105 WeakPolarHBondContact O-CB 3.47Å; P74-S105 PolarHBondContact O-OG 3.43Å; D76-S105 PolarHBondContact OD1-N 2.88Å; S105-T107 PolarHBondContact O-N 3Å; S105-L108 WeakPolarHBondContact O-CA 3.4Å; S105-L108 VanDerWaalsContact O-CB 3.29Å; S105-L108 WeakPolarHBondContact O-CB 3.46Å; S105-L108 PolarHBondContact O-N 2.86Å; S105-I109 PolarHBondContact O-N 3.19Å
106	L	97.9	Very high	94.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-35.6	-62.5	-175	175.6	56.7	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 2.68Å; A100-L106 HydrophobicContact CB-CD2 4.1Å; L101-L106 HydrophobicContact CD2-CD2 4.05Å; F104-L106 HydrophobicContact CD2-CB 4.13Å; F104-L106 HydrophobicContact CE2-CB 3.72Å; F104-L106 HydrophobicContact CE2-CD1 3.87Å; F104-L106 HydrophobicContact CE2-CG 4.29Å; L106-L108 PolarHBondContact O-N 3.37Å; L106-L108 VanDerWaalsContact O-N 3.13Å; L106-I109 PolarHBondContact O-N 3.41Å; L106-D110 WeakPolarHBondContact O-CB 3.01Å; L106-D110 PolarHBondContact O-N 3.23Å; L106-R151 HydrophobicContact CD1-CB 3.64Å; L106-R151 HydrophobicContact CD1-CG 4.33Å; L106-V152 HydrophobicContact CD1-CG2 4.08Å
107	T	98.4	Very high	95.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.2	-25.5	-177.8	-65.3	0	0	0	0	114.5	Y68 D76 S105 S111 S461 L464	Y68-T107 HydrophobicContact CD1-CG2 3.91Å; Y68-T107 HydrophobicContact CD2-CG2 3.8Å; Y68-T107 HydrophobicContact CE1-CG2 4.09Å; Y68-T107 HydrophobicContact CE2-CG2 4.01Å; Y68-T107 HydrophobicContact CG-CG2 3.79Å; D76-T107 WeakPolarHBondContact O-CB 3.26Å; D76-T107 PolarHBondContact O-N 2.76Å; D76-T107 PolarHBondContact O-OG1 3.47Å; S105-T107 PolarHBondContact O-N 3Å; T107-S111 WeakPolarHBondContact O-CB 3.25Å; T107-S111 PolarHBondContact O-N 3.12Å; T107-S111 PolarHBondContact O-OG 2.92Å; T107-S461 WeakPolarHBondContact OG1-CA 3.22Å; T107-S461 WeakPolarHBondContact OG1-CB 3.44Å; T107-L464 HydrophobicContact CG2-CD1 3.48Å; T107-L464 VanDerWaalsContact CG2-CD1 3.48Å; T107-L464 HydrophobicContact CG2-CG 4.13Å
108	L	98.6	Very high	96.1	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-72	-38.8	173.4	-179.5	64.3	0	0	0	112.4	Y68 M69 Y73 S105 L106 L112 A127 K130 V131	Y68-L108 HydrophobicContact CE1-CB 4.02Å; M69-L108 HydrophobicContact CE-CD1 4.49Å; M69-L108 HydrophobicContact SD-CD1 3.94Å; Y73-L108 HydrophobicContact CD2-CD2 3.97Å; Y73-L108 HydrophobicContact CE2-CD2 3.77Å; S105-L108 WeakPolarHBondContact O-CA 3.4Å; S105-L108 VanDerWaalsContact O-CB 3.29Å; S105-L108 WeakPolarHBondContact O-CB 3.46Å; S105-L108 PolarHBondContact O-N 2.86Å; L106-L108 PolarHBondContact O-N 3.37Å; L106-L108 VanDerWaalsContact O-N 3.13Å; L108-L112 WeakPolarHBondContact O-CG 3.35Å; L108-A127 HydrophobicContact CD1-CB 3.87Å; L108-K130 HydrophobicContact CD2-CB 3.8Å; L108-V131 HydrophobicContact CD2-CG2 3.82Å; L108-V131 HydrophobicContact CG-CG2 3.82Å
109	I	98.6	Very high	96.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-73.1	-45	177.9	-62.2	174.8	0	0	0	109.8	F104 S105 L106 S111 L112 V131 V135 V152 L156	F104-I109 HydrophobicContact CD2-CD1 4.41Å; F104-I109 VanDerWaalsContact O-CD1 3.25Å; F104-I109 WeakPolarHBondContact O-CD1 3.14Å; S105-I109 PolarHBondContact O-N 3.19Å; L106-I109 PolarHBondContact O-N 3.41Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 2.89Å; I109-L112 WeakPolarHBondContact O-CB 3.5Å; I109-L112 VanDerWaalsContact O-CG 3.27Å; I109-L112 WeakPolarHBondContact O-CG 3.44Å; I109-L112 PolarHBondContact O-N 3Å; I109-V131 HydrophobicContact CG1-CG1 4.34Å; I109-V131 HydrophobicContact CG1-CG2 4.1Å; I109-V135 HydrophobicContact CD1-CG1 4.02Å; I109-V135 HydrophobicContact CD1-CG2 4.24Å; I109-V152 HydrophobicContact CD1-CG1 3.83Å; I109-V152 HydrophobicContact CG2-CG1 4.34Å; I109-L156 HydrophobicContact CG2-CD2 4.17Å; I109-L156 HydrophobicContact CG2-CG 3.94Å
110	D	98.4	Very high	96.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.7	-35.8	-174.7	-156.1	11	0	0	0	112.2	L106 L112 S461 F462 A465 H495	L106-D110 WeakPolarHBondContact O-CB 3.01Å; L106-D110 PolarHBondContact O-N 3.23Å; D110-L112 PolarHBondContact O-N 2.68Å; D110-S461 WeakPolarHBondContact OD2-CB 3.47Å; D110-S461 PolarHBondContact OD2-OG 3.3Å; D110-F462 PolarHBondContact OD2-N 3.2Å; D110-A465 HydrophobicContact CB-CB 4.31Å; D110-A465 VanDerWaalsContact CG-CB 3.49Å; D110-A465 WeakPolarHBondContact O-CB 3.18Å; D110-A465 WeakPolarHBondContact OD1-CB 3.17Å; D110-H495 PolarHBondContact O-CE1 3.14Å; D110-H495 IonicContact OD1-CE1 2.88Å; D110-H495 PolarHBondContact OD1-CE1 3.46Å; D110-H495 IonicContact OD1-NE2 3.4Å; D110-H495 PolarHBondContact OD1-NE2 3.48Å
111	S	98.4	Very high	96.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.3	178.7	60.1	0	0	0	0	115.4	Y65 T107 I109 D113 T114 L115	Y65-S111 WeakPolarHBondContact CE2-OG 3.32Å; T107-S111 WeakPolarHBondContact O-CB 3.25Å; T107-S111 PolarHBondContact O-N 3.12Å; T107-S111 PolarHBondContact O-OG 2.92Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 2.89Å; S111-D113 PolarHBondContact O-N 2.97Å; S111-T114 WeakPolarHBondContact O-CB 3.25Å; S111-T114 PolarHBondContact O-N 3.23Å; S111-L115 WeakPolarHBondContact O-CG 3.48Å; S111-L115 PolarHBondContact O-N 2.86Å; S111-L115 VanDerWaalsContact O-N 3.14Å
112	L	98.6	Very high	96.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.2	-52.8	-173.5	-79.3	180	0	0	0	113.3	L108 I109 D110 L115 F124 A127 V128 V131 L180	L108-L112 WeakPolarHBondContact O-CG 3.35Å; I109-L112 WeakPolarHBondContact O-CB 3.5Å; I109-L112 VanDerWaalsContact O-CG 3.27Å; I109-L112 WeakPolarHBondContact O-CG 3.44Å; I109-L112 PolarHBondContact O-N 3Å; D110-L112 PolarHBondContact O-N 2.68Å; L112-L115 PolarHBondContact O-N 2.92Å; L112-F124 HydrophobicContact CB-CD2 4.48Å; L112-F124 HydrophobicContact CB-CE2 4.19Å; L112-F124 HydrophobicContact CD2-CD2 4.29Å; L112-F124 HydrophobicContact CD2-CE2 4.31Å; L112-F124 WeakPolarHBondContact O-CD2 3.42Å; L112-A127 HydrophobicContact CD2-CB 3.79Å; L112-V128 HydrophobicContact CD2-CG2 4.01Å; L112-V131 HydrophobicContact CD1-CG2 4.4Å; L112-V131 HydrophobicContact CD2-CG2 4.36Å; L112-L180 HydrophobicContact CD1-CD1 4.27Å; L112-L180 HydrophobicContact CD1-CD2 4.41Å
113	D	97.4	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-73.2	-30.4	-177.8	57.1	15.5	0	0	0	112.8	S111 L115 V116 V117 L162 K469 H495 L496	S111-D113 PolarHBondContact O-N 2.97Å; D113-L115 VanDerWaalsContact C-N 3.28Å; D113-L115 PolarHBondContact O-N 3.05Å; D113-V116 PolarHBondContact O-N 3.26Å; D113-V117 PolarHBondContact O-N 2.67Å; D113-L162 HydrophobicContact CB-CD1 3.55Å; D113-K469 VanDerWaalsContact OD1-CE 3.29Å; D113-K469 WeakPolarHBondContact OD1-CE 3.3Å; D113-K469 IonicContact OD1-NZ 3.05Å; D113-K469 PolarHBondContact OD1-NZ 3.24Å; D113-K469 IonicContact OD2-NZ 2.72Å; D113-H495 IonicContact OD1-ND1 2.92Å; D113-H495 WeakPolarHBondContact OD2-CA 3.46Å; D113-H495 WeakPolarHBondContact OD2-CB 3.3Å; D113-H495 IonicContact OD2-CG 2.68Å; D113-H495 IonicContact OD2-ND1 3.26Å; D113-H495 PolarHBondContact OD2-ND1 3.42Å; D113-L496 PolarHBondContact OD2-N 3.3Å
114	T	98.4	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.3	-40.5	172.9	-53.5	0	0	0	0	111.5	F61 S111 V116 V117 L118 L464 A465 K469	F61-T114 HydrophobicContact CD2-CG2 4.18Å; F61-T114 HydrophobicContact CE2-CG2 3.66Å; F61-T114 HydrophobicContact CZ-CG2 4.35Å; S111-T114 WeakPolarHBondContact O-CB 3.25Å; S111-T114 PolarHBondContact O-N 3.23Å; T114-V116 PolarHBondContact O-N 3.41Å; T114-V117 PolarHBondContact O-N 3.41Å; T114-L118 HydrophobicContact CG2-CD1 3.75Å; T114-L118 HydrophobicContact CG2-CG 3.89Å; T114-L118 WeakPolarHBondContact O-CB 3.33Å; T114-L118 VanDerWaalsContact O-CG 3.28Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 3.47Å; T114-L464 WeakPolarHBondContact CG2-O 3.29Å; T114-L464 PolarHBondContact OG1-O 3.44Å; T114-A465 WeakPolarHBondContact OG1-CA 3.32Å; T114-A465 PolarHBondContact OG1-O 2.86Å; T114-K469 HydrophobicContact CG2-CB 4.26Å; T114-K469 WeakPolarHBondContact OG1-CE 3.47Å
115	L	98.3	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-36.3	175.5	-67.1	165.9	0	0	0	111.9	F61 Y65 S111 L112 D113 N119 K120 E123 F124 A127	F61-L115 HydrophobicContact CE1-CD2 3.64Å; F61-L115 HydrophobicContact CZ-CD2 3.73Å; F61-L115 HydrophobicContact CZ-CG 4.33Å; Y65-L115 HydrophobicContact CD1-CD2 4.26Å; Y65-L115 HydrophobicContact CE1-CD2 3.92Å; Y65-L115 HydrophobicContact CE2-CD1 4.4Å; S111-L115 WeakPolarHBondContact O-CG 3.48Å; S111-L115 PolarHBondContact O-N 2.86Å; S111-L115 VanDerWaalsContact O-N 3.14Å; L112-L115 PolarHBondContact O-N 2.92Å; D113-L115 VanDerWaalsContact C-N 3.28Å; D113-L115 PolarHBondContact O-N 3.05Å; L115-N119 PolarHBondContact O-N 3.03Å; L115-K120 HydrophobicContact CB-CB 4.43Å; L115-K120 HydrophobicContact CD2-CB 4.22Å; L115-K120 HydrophobicContact CD2-CD 4.23Å; L115-K120 CarbonylContact O-C 3.48Å; L115-K120 VanDerWaalsContact O-CA 3.32Å; L115-K120 WeakPolarHBondContact O-CA 3.39Å; L115-K120 WeakPolarHBondContact O-CB 3.39Å; L115-K120 PolarHBondContact O-N 3.37Å; L115-E123 HydrophobicContact CD2-CB 4.18Å; L115-F124 HydrophobicContact CB-CB 3.84Å; L115-F124 HydrophobicContact CD1-CB 4.48Å; L115-A127 HydrophobicContact CD1-CB 3.77Å
116	V	97	Very high	97.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-75.9	-40.5	177	-173	0	0	0	0	111.8	D113 T114 L118 N119 F124 L162 M165 L166 I482 F483	D113-V116 PolarHBondContact O-N 3.26Å; T114-V116 PolarHBondContact O-N 3.41Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.14Å; V116-N119 PolarHBondContact O-N 3.25Å; V116-N119 VanDerWaalsContact O-N 3.12Å; V116-F124 HydrophobicContact CG2-CB 3.96Å; V116-F124 HydrophobicContact CG2-CD1 3.6Å; V116-F124 HydrophobicContact CG2-CD2 3.61Å; V116-F124 HydrophobicContact CG2-CE1 3.9Å; 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 4.03Å; V116-L162 HydrophobicContact CB-CB 4.33Å; V116-L162 HydrophobicContact CB-CD1 3.82Å; V116-L162 HydrophobicContact CG1-CB 4.23Å; V116-L162 HydrophobicContact CG1-CD1 4.15Å; V116-L162 HydrophobicContact CG2-CB 4.11Å; V116-L162 HydrophobicContact CG2-CD1 4.25Å; V116-M165 HydrophobicContact CG1-CE 3.9Å; V116-L166 HydrophobicContact CG1-CD1 4.02Å; V116-L166 HydrophobicContact CG1-CD2 4.4Å; V116-L166 HydrophobicContact CG1-CG 4.3Å; V116-L166 HydrophobicContact CG2-CD1 3.99Å; V116-I482 HydrophobicContact CG1-CD1 4.09Å; V116-F483 HydrophobicContact CG1-CE1 4.12Å
117	V	97	Very high	97.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-41.2	174.4	173.5	0	0	0	0	111.4	D113 T114 N119 K469 Y472 L473 F483 L496	D113-V117 PolarHBondContact O-N 2.67Å; T114-V117 PolarHBondContact O-N 3.41Å; V117-N119 PolarHBondContact O-N 3Å; V117-K469 HydrophobicContact CG1-CG 4.23Å; V117-K469 HydrophobicContact CG2-CG 4.4Å; V117-Y472 HydrophobicContact CG1-CD1 4.1Å; V117-Y472 VanDerWaalsContact O-CE1 3.23Å; V117-Y472 WeakPolarHBondContact O-CE1 3.27Å; V117-L473 HydrophobicContact CG1-CD1 4.35Å; V117-L473 HydrophobicContact CG1-CD2 3.89Å; V117-L473 HydrophobicContact CG1-CG 4.02Å; V117-F483 HydrophobicContact CG2-CE1 4.4Å; V117-F483 HydrophobicContact CG2-CZ 4.02Å; V117-L496 HydrophobicContact CG2-CD1 3.59Å
118	L	96.9	Very high	97.5	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	10.6	177.9	-61.1	-173.7	0	0	0	113.9	L58 F61 T114 V116 K120 Y472	L58-L118 HydrophobicContact CD2-CB 3.73Å; L58-L118 HydrophobicContact CD2-CD1 4.33Å; L58-L118 HydrophobicContact CD2-CD2 3.94Å; L58-L118 HydrophobicContact CD2-CG 4.2Å; F61-L118 HydrophobicContact CB-CD1 3.78Å; F61-L118 HydrophobicContact CD1-CD1 3.62Å; F61-L118 HydrophobicContact CD2-CD1 3.4Å; F61-L118 VanDerWaalsContact CD2-CD1 3.4Å; F61-L118 HydrophobicContact CE1-CD1 4.03Å; F61-L118 HydrophobicContact CE2-CD1 3.82Å; F61-L118 HydrophobicContact CG-CD1 3.28Å; F61-L118 HydrophobicContact CZ-CD1 4.12Å; T114-L118 HydrophobicContact CG2-CD1 3.75Å; T114-L118 HydrophobicContact CG2-CG 3.89Å; T114-L118 WeakPolarHBondContact O-CB 3.33Å; T114-L118 VanDerWaalsContact O-CG 3.28Å; T114-L118 WeakPolarHBondContact O-CG 3.46Å; T114-L118 PolarHBondContact O-N 3.47Å; V116-L118 VanDerWaalsContact C-N 3.3Å; V116-L118 PolarHBondContact O-N 3.14Å; L118-K120 VanDerWaalsContact C-N 3.29Å; L118-K120 HydrophobicContact CB-CD 4.18Å; L118-K120 HydrophobicContact CB-CG 4.39Å; L118-K120 PolarHBondContact O-N 2.63Å; L118-Y472 HydrophobicContact CD2-CD1 3.65Å; L118-Y472 HydrophobicContact CD2-CD2 3.7Å; L118-Y472 HydrophobicContact CD2-CE1 4.31Å; L118-Y472 HydrophobicContact CD2-CE2 4.37Å; L118-Y472 HydrophobicContact CD2-CG 3.28Å
119	N	95.1	Very high	97.5	Very high	81 Å²	81	26.7 Å²	26.7	43%	0.433	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	33.7	179.7	-158.6	3.6	0	0	0	114.6	L115 V116 V117 I482	L115-N119 PolarHBondContact O-N 3.03Å; V116-N119 PolarHBondContact O-N 3.25Å; V116-N119 VanDerWaalsContact O-N 3.12Å; V117-N119 PolarHBondContact O-N 3Å; N119-I482 HydrophobicContact CB-CG2 4.45Å; N119-I482 WeakPolarHBondContact OD1-CG2 3.4Å
120	K	96.1	Very high	97.5	Very high	28 Å²	28	29 Å²	29	12%	0.122	13%	0.134	C	C	.	.			trans	-103.4	55.7	177.4	-63.8	171.3	179.6	-73.6	0	110.4	F61 D62 L115 L118 K122 E123 F124	F61-K120 HydrophobicContact CD1-CD 4.18Å; F61-K120 HydrophobicContact CE1-CD 4.08Å; D62-K120 WeakPolarHBondContact OD1-CE 3.2Å; D62-K120 IonicContact OD1-NZ 3.73Å; D62-K120 PolarHBondContact OD1-NZ 3.12Å; D62-K120 IonicContact OD2-NZ 2.87Å; D62-K120 PolarHBondContact OD2-NZ 3.31Å; L115-K120 HydrophobicContact CB-CB 4.43Å; L115-K120 HydrophobicContact CD2-CB 4.22Å; L115-K120 HydrophobicContact CD2-CD 4.23Å; L115-K120 CarbonylContact O-C 3.48Å; L115-K120 VanDerWaalsContact O-CA 3.32Å; L115-K120 WeakPolarHBondContact O-CA 3.39Å; L115-K120 WeakPolarHBondContact O-CB 3.39Å; L115-K120 PolarHBondContact O-N 3.37Å; L118-K120 VanDerWaalsContact C-N 3.29Å; L118-K120 HydrophobicContact CB-CD 4.18Å; L118-K120 HydrophobicContact CB-CG 4.39Å; L118-K120 PolarHBondContact O-N 2.63Å; K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 2.93Å; K120-E123 VanDerWaalsContact C-OE2 3.24Å; K120-E123 WeakPolarHBondContact CA-OE2 3.43Å; K120-E123 HydrophobicContact CB-CB 4.07Å; K120-E123 HydrophobicContact CB-CG 4.28Å; K120-E123 WeakPolarHBondContact CB-OE2 3.34Å; K120-E123 PolarHBondContact O-N 2.86Å; K120-F124 WeakPolarHBondContact O-CB 3.46Å; K120-F124 PolarHBondContact O-N 3.18Å
121	T	95.3	Very high	97.5	Very high	18 Å²	18	29 Å²	29	11%	0.11	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-29.1	-171.7	56.6	0	0	0	0	114	E125 L166 H172 I482	T121-E125 WeakPolarHBondContact O-CB 3.45Å; T121-E125 PolarHBondContact O-N 3.3Å; T121-L166 HydrophobicContact CG2-CD1 4.38Å; T121-L166 HydrophobicContact CG2-CD2 3.95Å; T121-H172 PolarHBondContact OG1-CD2 2.86Å; T121-H172 PolarHBondContact OG1-NE2 2.76Å; T121-I482 HydrophobicContact CG2-CD1 3.87Å
122	K	95.9	Very high	97.5	Very high	136 Å²	136	31.9 Å²	31.9	59%	0.591	15%	0.15	S	C	*	.	H	α-helix	trans	-76.4	-44.4	177.8	-67.9	167.1	-174.2	165.4	0	111	K120 F124 E125 D126	K120-K122 VanDerWaalsContact C-N 3.28Å; K120-K122 PolarHBondContact O-N 2.93Å; K122-F124 VanDerWaalsContact C-N 3.29Å; K122-F124 PolarHBondContact O-N 3.05Å; K122-E125 PolarHBondContact O-N 3.43Å; K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 2.79Å
123	E	97.4	Very high	97.5	Very high	88 Å²	88	40 Å²	40	41%	0.411	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-38	177	-62.1	67.6	-157.6	0	0	110.2	L115 K120 A127	L115-E123 HydrophobicContact CD2-CB 4.18Å; K120-E123 VanDerWaalsContact C-OE2 3.24Å; K120-E123 WeakPolarHBondContact CA-OE2 3.43Å; K120-E123 HydrophobicContact CB-CB 4.07Å; K120-E123 HydrophobicContact CB-CG 4.28Å; K120-E123 WeakPolarHBondContact CB-OE2 3.34Å; K120-E123 PolarHBondContact O-N 2.86Å; E123-A127 WeakPolarHBondContact O-CB 3.35Å; E123-A127 PolarHBondContact O-N 3.08Å
124	F	98.1	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-55.1	167.8	171.4	-111.1	0	0	0	112.2	L112 L115 V116 K120 K122 D126 A127 V128 G159 A163 L166 M173	L112-F124 HydrophobicContact CB-CD2 4.48Å; L112-F124 HydrophobicContact CB-CE2 4.19Å; L112-F124 HydrophobicContact CD2-CD2 4.29Å; L112-F124 HydrophobicContact CD2-CE2 4.31Å; L112-F124 WeakPolarHBondContact O-CD2 3.42Å; L115-F124 HydrophobicContact CB-CB 3.84Å; L115-F124 HydrophobicContact CD1-CB 4.48Å; V116-F124 HydrophobicContact CG2-CB 3.96Å; V116-F124 HydrophobicContact CG2-CD1 3.6Å; V116-F124 HydrophobicContact CG2-CD2 3.61Å; V116-F124 HydrophobicContact CG2-CE1 3.9Å; 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 4.03Å; K120-F124 WeakPolarHBondContact O-CB 3.46Å; K120-F124 PolarHBondContact O-N 3.18Å; K122-F124 VanDerWaalsContact C-N 3.29Å; K122-F124 PolarHBondContact O-N 3.05Å; F124-D126 PolarHBondContact O-N 3.44Å; F124-A127 WeakPolarHBondContact O-CA 3.38Å; F124-A127 WeakPolarHBondContact O-CB 3.4Å; F124-A127 PolarHBondContact O-N 2.99Å; F124-V128 HydrophobicContact CD2-CG2 4.07Å; F124-V128 HydrophobicContact CE1-CG2 4.23Å; F124-V128 HydrophobicContact CE2-CG2 3.66Å; F124-V128 HydrophobicContact CZ-CG2 3.76Å; F124-V128 WeakPolarHBondContact O-CG2 3.28Å; F124-V128 PolarHBondContact O-N 3.38Å; F124-G159 WeakPolarHBondContact CZ-O 3.5Å; F124-A163 HydrophobicContact CE1-CB 4.22Å; F124-A163 HydrophobicContact CZ-CB 4.05Å; F124-L166 HydrophobicContact CD1-CD1 3.66Å; F124-L166 HydrophobicContact CE1-CD1 3.74Å; F124-M173 HydrophobicContact CD1-CG 4.33Å; F124-M173 HydrophobicContact CD1-SD 3.98Å; F124-M173 HydrophobicContact CE1-CE 3.81Å; F124-M173 HydrophobicContact CE1-CG 3.87Å; F124-M173 HydrophobicContact CE1-SD 3.7Å; F124-M173 HydrophobicContact CZ-CE 4.3Å
125	E	97.9	Very high	97.3	Very high	27 Å²	27	43.9 Å²	43.9	13%	0.126	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-37.4	-178.4	-173.8	175.2	147.8	0	0	112	T121 K122 R129 H172 M173 W175	T121-E125 WeakPolarHBondContact O-CB 3.45Å; T121-E125 PolarHBondContact O-N 3.3Å; K122-E125 PolarHBondContact O-N 3.43Å; E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.46Å; E125-R129 IonicContact OE1-CZ 3.42Å; E125-R129 IonicContact OE1-NH1 3.44Å; E125-R129 PolarHBondContact OE1-NH1 3.09Å; E125-R129 IonicContact OE1-NH2 2.69Å; E125-R129 PolarHBondContact OE1-NH2 3.39Å; E125-H172 IonicContact OE2-CE1 3.27Å; E125-H172 IonicContact OE2-CG 2.67Å; E125-H172 IonicContact OE2-ND1 3.8Å; E125-H172 PolarHBondContact OE2-ND1 3.43Å; E125-M173 HydrophobicContact CB-SD 3.75Å; E125-M173 HydrophobicContact CG-SD 3.6Å; E125-M173 VanDerWaalsContact CG-SD 3.6Å; E125-M173 PolarHBondContact OE2-N 3.28Å; E125-W175 HydrophobicContact CG-CZ2 4.04Å; E125-W175 PolarHBondContact OE1-NE1 2.58Å
126	D	97.9	Very high	97	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	22%	0.22	S	C	.	.	H	α-helix	trans	-79	-21.9	172.9	-82.4	-11.4	0	0	0	114.1	K122 F124 R129 K130	K122-D126 WeakPolarHBondContact O-CB 3.4Å; K122-D126 PolarHBondContact O-N 2.79Å; F124-D126 PolarHBondContact O-N 3.44Å; D126-R129 IonicContact OD1-CZ 3.76Å; D126-R129 IonicContact OD1-NH1 2.74Å; D126-R129 PolarHBondContact OD1-NH1 3.37Å; D126-K130 VanDerWaalsContact C-NZ 3.32Å; D126-K130 WeakPolarHBondContact O-CG 3.34Å; D126-K130 PolarHBondContact O-N 2.91Å; D126-K130 PolarHBondContact O-NZ 3.45Å
127	A	98.4	Very high	96.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.4	-46	171.1	0	0	0	0	0	110.6	L108 L112 L115 E123 F124 R129 K130 V131	L108-A127 HydrophobicContact CD1-CB 3.87Å; L112-A127 HydrophobicContact CD2-CB 3.79Å; L115-A127 HydrophobicContact CD1-CB 3.77Å; E123-A127 WeakPolarHBondContact O-CB 3.35Å; E123-A127 PolarHBondContact O-N 3.08Å; F124-A127 WeakPolarHBondContact O-CA 3.38Å; F124-A127 WeakPolarHBondContact O-CB 3.4Å; F124-A127 PolarHBondContact O-N 2.99Å; A127-R129 VanDerWaalsContact C-N 3.29Å; A127-R129 PolarHBondContact O-N 2.97Å; A127-K130 WeakPolarHBondContact O-CA 3.23Å; A127-K130 WeakPolarHBondContact O-CB 3.19Å; A127-K130 PolarHBondContact O-N 3.47Å; A127-V131 PolarHBondContact O-N 2.95Å
128	V	98.6	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54.8	-45.9	172.9	178.3	0	0	0	0	110.3	L112 F124 K130 V131 L132 M173 W175 L180	L112-V128 HydrophobicContact CD2-CG2 4.01Å; F124-V128 HydrophobicContact CD2-CG2 4.07Å; F124-V128 HydrophobicContact CE1-CG2 4.23Å; F124-V128 HydrophobicContact CE2-CG2 3.66Å; F124-V128 HydrophobicContact CZ-CG2 3.76Å; F124-V128 WeakPolarHBondContact O-CG2 3.28Å; F124-V128 PolarHBondContact O-N 3.38Å; V128-K130 VanDerWaalsContact C-N 3.26Å; V128-K130 PolarHBondContact O-N 2.91Å; V128-V131 PolarHBondContact O-N 3.34Å; V128-V131 VanDerWaalsContact O-N 3.14Å; V128-L132 HydrophobicContact CG1-CD1 4.18Å; V128-L132 HydrophobicContact CG1-CG 4.23Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 3.04Å; V128-M173 HydrophobicContact CB-CE 4.24Å; V128-M173 HydrophobicContact CG1-CE 4.13Å; V128-M173 HydrophobicContact CG2-CE 4.01Å; V128-W175 HydrophobicContact CG1-CH2 3.92Å; V128-L180 HydrophobicContact CG1-CD1 4Å; V128-L180 HydrophobicContact CG1-CD2 4.1Å; V128-L180 HydrophobicContact CG1-CG 4.03Å; V128-L180 HydrophobicContact CG2-CD1 4.03Å
129	R	98.4	Very high	96.5	Very high	102 Å²	102	52 Å²	52	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-32.2	175	-74.2	174.1	-179.3	126.7	8.8	114.5	E125 D126 A127 R133 W175	E125-R129 WeakPolarHBondContact O-CG 3.39Å; E125-R129 PolarHBondContact O-N 3.46Å; E125-R129 IonicContact OE1-CZ 3.42Å; E125-R129 IonicContact OE1-NH1 3.44Å; E125-R129 PolarHBondContact OE1-NH1 3.09Å; E125-R129 IonicContact OE1-NH2 2.69Å; E125-R129 PolarHBondContact OE1-NH2 3.39Å; D126-R129 IonicContact OD1-CZ 3.76Å; D126-R129 IonicContact OD1-NH1 2.74Å; D126-R129 PolarHBondContact OD1-NH1 3.37Å; A127-R129 VanDerWaalsContact C-N 3.29Å; A127-R129 PolarHBondContact O-N 2.97Å; R129-R133 WeakPolarHBondContact O-CB 3.28Å; R129-R133 PolarHBondContact O-N 2.95Å; R129-W175 HydrophobicContact CG-CH2 4.02Å; R129-W175 HydrophobicContact CG-CZ2 3.88Å
130	K	98.5	Very high	96.5	Very high	48 Å²	48	51.7 Å²	51.7	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-75.6	-43.3	174.8	-67.8	173.8	-160	78.9	0	110.8	M69 Y73 L108 D126 A127 V128 L132 R133 D134	M69-K130 HydrophobicContact CE-CD 3.62Å; Y73-K130 HydrophobicContact CE1-CD 4.27Å; Y73-K130 HydrophobicContact CE2-CB 4.2Å; Y73-K130 HydrophobicContact CE2-CD 4.17Å; Y73-K130 WeakPolarHBondContact OH-CG 3.4Å; L108-K130 HydrophobicContact CD2-CB 3.8Å; D126-K130 VanDerWaalsContact C-NZ 3.32Å; D126-K130 WeakPolarHBondContact O-CG 3.34Å; D126-K130 PolarHBondContact O-N 2.91Å; D126-K130 PolarHBondContact O-NZ 3.45Å; A127-K130 WeakPolarHBondContact O-CA 3.23Å; A127-K130 WeakPolarHBondContact O-CB 3.19Å; A127-K130 PolarHBondContact O-N 3.47Å; V128-K130 VanDerWaalsContact C-N 3.26Å; V128-K130 PolarHBondContact O-N 2.91Å; K130-L132 PolarHBondContact O-N 3.32Å; K130-R133 PolarHBondContact O-N 3.48Å; K130-R133 VanDerWaalsContact O-N 3.07Å; K130-D134 PolarHBondContact O-N 3.48Å
131	V	98.5	Very high	96.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.7	-51.1	173.9	173	0	0	0	0	110.7	L108 I109 L112 A127 V128 R133 V135 L156 L180 M183	L108-V131 HydrophobicContact CD2-CG2 3.82Å; L108-V131 HydrophobicContact CG-CG2 3.82Å; I109-V131 HydrophobicContact CG1-CG1 4.34Å; I109-V131 HydrophobicContact CG1-CG2 4.1Å; L112-V131 HydrophobicContact CD1-CG2 4.4Å; L112-V131 HydrophobicContact CD2-CG2 4.36Å; A127-V131 PolarHBondContact O-N 2.95Å; V128-V131 PolarHBondContact O-N 3.34Å; V128-V131 VanDerWaalsContact O-N 3.14Å; V131-R133 PolarHBondContact O-N 3.32Å; V131-R133 VanDerWaalsContact O-N 3.14Å; V131-V135 HydrophobicContact CB-CG2 4.34Å; V131-V135 HydrophobicContact CG1-CB 4.45Å; V131-V135 HydrophobicContact CG1-CG2 4.12Å; V131-V135 VanDerWaalsContact O-CB 3.28Å; V131-V135 WeakPolarHBondContact O-CB 3.46Å; V131-V135 PolarHBondContact O-N 2.85Å; V131-L156 HydrophobicContact CG1-CD2 4.1Å; V131-L180 HydrophobicContact CB-CD2 4.38Å; V131-L180 HydrophobicContact CG1-CD2 3.76Å; V131-M183 HydrophobicContact CG1-CE 3.9Å; V131-M183 HydrophobicContact CG1-SD 4.08Å
132	L	97.9	Very high	96.3	Very high	61 Å²	61	51.1 Å²	51.1	32%	0.319	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-16.2	179.3	-60.8	-174.8	0	0	0	114.8	V128 K130 W175 E179 L180 M183	V128-L132 HydrophobicContact CG1-CD1 4.18Å; V128-L132 HydrophobicContact CG1-CG 4.23Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 3.04Å; K130-L132 PolarHBondContact O-N 3.32Å; L132-W175 HydrophobicContact CD1-CH2 4.1Å; L132-W175 HydrophobicContact CD1-CZ3 3.95Å; L132-E179 HydrophobicContact CD1-CB 3.62Å; L132-E179 HydrophobicContact CD1-CG 4Å; L132-E179 HydrophobicContact CD2-CB 3.48Å; L132-E179 VanDerWaalsContact CD2-CB 3.48Å; L132-E179 HydrophobicContact CG-CB 4.2Å; L132-L180 HydrophobicContact CD2-CD2 4.05Å; L132-M183 HydrophobicContact CD2-SD 3.61Å
133	R	97.3	Very high	96.3	Very high	170 Å²	170	44.7 Å²	44.7	64%	0.642	21%	0.214	S	C	*	.	H	α-helix	trans	-101.3	-41.8	-176.4	-171.7	-172.1	70.5	-155.7	-5.7	113.2	Y73 R129 K130 V131	Y73-R133 PolarHBondContact OH-NH2 3.01Å; R129-R133 WeakPolarHBondContact O-CB 3.28Å; R129-R133 PolarHBondContact O-N 2.95Å; K130-R133 PolarHBondContact O-N 3.48Å; K130-R133 VanDerWaalsContact O-N 3.07Å; V131-R133 PolarHBondContact O-N 3.32Å; V131-R133 VanDerWaalsContact O-N 3.14Å
134	D	95.8	Very high	96.3	Very high	61 Å²	61	41.3 Å²	41.3	33%	0.326	20%	0.2	S	C	.	.	H	α-helix	trans	-110.9	-19.3	-164.2	-50.5	-53.3	0	0	0	113.6	Y73 K130 N136	Y73-D134 PolarHBondContact OH-OD2 2.98Å; K130-D134 PolarHBondContact O-N 3.48Å; D134-N136 PolarHBondContact O-N 3.22Å
135	V	96.4	Very high	96.3	Very high	20 Å²	20	41.4 Å²	41.4	12%	0.121	20%	0.201	C	C	.	.			trans	-83	118.6	-174.6	173.2	0	0	0	0	111.2	F104 I109 V131 L137 M183	F104-V135 HydrophobicContact CB-CG1 3.85Å; F104-V135 VanDerWaalsContact O-CG2 3.31Å; F104-V135 WeakPolarHBondContact O-CG2 3.19Å; I109-V135 HydrophobicContact CD1-CG1 4.02Å; I109-V135 HydrophobicContact CD1-CG2 4.24Å; V131-V135 HydrophobicContact CB-CG2 4.34Å; V131-V135 HydrophobicContact CG1-CB 4.45Å; V131-V135 HydrophobicContact CG1-CG2 4.12Å; V131-V135 VanDerWaalsContact O-CB 3.28Å; V131-V135 WeakPolarHBondContact O-CB 3.46Å; V131-V135 PolarHBondContact O-N 2.85Å; V135-L137 HydrophobicContact CG1-CD2 4.04Å; V135-L137 HydrophobicContact CG1-CG 4.39Å; V135-M183 HydrophobicContact CB-CE 3.83Å; V135-M183 HydrophobicContact CG1-CE 3.66Å
136	N	93.4	Very high	96.3	Very high	74 Å²	74	41.5 Å²	41.5	40%	0.396	20%	0.201	S	C	.	.			trans	-105.1	124.9	171.4	-179.5	30.1	0	0	0	111.3	D134 D138 N139	D134-N136 PolarHBondContact O-N 3.22Å; N136-D138 PolarHBondContact OD1-N 2.94Å; N136-N139 PolarHBondContact ND2-OD1 3.2Å; N136-N139 PolarHBondContact O-ND2 3.46Å; N136-N139 VanDerWaalsContact O-ND2 3.08Å
137	L	94.6	Very high	96.3	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	19%	0.192	C	C	.	.	S	Bend	trans	-95.7	6.2	175	-57.7	175.8	0	0	0	112.9	F104 V135 M183 L187 K190	F104-L137 HydrophobicContact CB-CD2 4.28Å; V135-L137 HydrophobicContact CG1-CD2 4.04Å; V135-L137 HydrophobicContact CG1-CG 4.39Å; L137-M183 HydrophobicContact CD1-CB 4.2Å; L137-M183 HydrophobicContact CD1-CE 4.43Å; L137-L187 HydrophobicContact CD1-CB 4.21Å; L137-K190 HydrophobicContact CB-CD 4.4Å; L137-K190 WeakPolarHBondContact O-CD 3.22Å; L137-K190 WeakPolarHBondContact O-CE 3.32Å; L137-K190 PolarHBondContact O-NZ 3.39Å
138	D	93.1	Very high	96.3	Very high	64 Å²	64	40.1 Å²	40.1	34%	0.342	19%	0.192	S	C	.	.			trans	-113.8	33.3	-179.4	-155.8	58.3	0	0	0	114	N136 K190 K209	N136-D138 PolarHBondContact OD1-N 2.94Å; D138-K190 IonicContact OD1-NZ 3.51Å; D138-K190 PolarHBondContact OD1-NZ 3.43Å; D138-K209 PolarHBondContact O-NZ 2.59Å; D138-K209 IonicContact OD2-NZ 3.91Å; D138-K209 PolarHBondContact OD2-NZ 3.38Å
139	N	92.1	Very high	96.3	Very high	30 Å²	30	40.1 Å²	40.1	16%	0.16	19%	0.192	C	C	.	.			trans	-72.5	139.8	175.2	-68.2	-34.7	0	0	0	111.6	G102 K103 N136 V141 K209	G102-N139 PolarHBondContact O-ND2 2.91Å; K103-N139 PolarHBondContact O-ND2 2.71Å; N136-N139 PolarHBondContact ND2-OD1 3.2Å; N136-N139 PolarHBondContact O-ND2 3.46Å; N136-N139 VanDerWaalsContact O-ND2 3.08Å; N139-V141 VanDerWaalsContact C-N 3.3Å; N139-V141 HydrophobicContact CB-CG1 3.75Å; N139-V141 PolarHBondContact O-N 2.91Å; N139-K209 WeakPolarHBondContact O-CB 3.44Å; N139-K209 PolarHBondContact O-N 3.25Å
140	D	93.8	Very high	96.3	Very high	75 Å²	75	35.5 Å²	35.5	40%	0.401	18%	0.175	S	C	.	.	S	Bend	trans	-77.7	84	167	-180	21.3	0	0	0	110.1	N207 K209 F210 R218	D140-N207 PolarHBondContact OD1-ND2 2.72Å; D140-K209 HydrophobicContact CB-CD 4.07Å; D140-F210 HydrophobicContact CB-CE2 4.18Å; D140-F210 VanDerWaalsContact CG-CE2 3.49Å; D140-F210 WeakPolarHBondContact OD1-CD2 3.46Å; D140-F210 WeakPolarHBondContact OD1-CE2 3.43Å; D140-R218 VanDerWaalsContact CG-NH2 3.31Å; D140-R218 IonicContact OD1-CZ 3.27Å; D140-R218 VanDerWaalsContact OD1-CZ 3.3Å; D140-R218 IonicContact OD1-NH1 3.61Å; D140-R218 PolarHBondContact OD1-NH1 2.96Å; D140-R218 IonicContact OD1-NH2 2.7Å; D140-R218 PolarHBondContact OD1-NH2 2.96Å; D140-R218 IonicContact OD2-CZ 3.61Å; D140-R218 IonicContact OD2-NH1 2.76Å; D140-R218 PolarHBondContact OD2-NH1 3.05Å; D140-R218 IonicContact OD2-NH2 3.41Å; D140-R218 PolarHBondContact OD2-NH2 2.74Å
141	V	92.9	Very high	96.3	Very high	11 Å²	11	34.1 Å²	34.1	7%	0.067	17%	0.168	C	C	.	.			trans	-148.7	142.9	179.8	63.6	0	0	0	0	109.2	R88 G102 N139 V143 N207 L208	R88-V141 HydrophobicContact CG-CG2 4.37Å; G102-V141 WeakPolarHBondContact O-CG1 3.36Å; N139-V141 VanDerWaalsContact C-N 3.3Å; N139-V141 HydrophobicContact CB-CG1 3.75Å; N139-V141 PolarHBondContact O-N 2.91Å; V141-V143 HydrophobicContact CG1-CG1 4.14Å; V141-N207 WeakPolarHBondContact O-CA 3.45Å; V141-L208 HydrophobicContact CG1-CD1 3.93Å; V141-L208 HydrophobicContact CG1-CG 4.42Å; V141-L208 PolarHBondContact O-N 2.96Å
142	V	94.3	Very high	96.3	Very high	24 Å²	24	34.1 Å²	34.1	15%	0.145	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.5	172.1	-179.6	0	0	0	0	108.1	R205 I206 N207 A217 R218 T219	V142-R205 HydrophobicContact CG1-CB 3.9Å; V142-R205 HydrophobicContact CG1-CG 4.24Å; V142-I206 WeakPolarHBondContact CA-O 3.38Å; V142-N207 HydrophobicContact CG2-CB 4.36Å; V142-A217 WeakPolarHBondContact CG2-O 3.18Å; V142-R218 HydrophobicContact CG2-CB 4.46Å; V142-T219 HydrophobicContact CG1-CG2 4.04Å; V142-T219 HydrophobicContact CG2-CG2 4.15Å
143	V	96.1	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.8	179.9	-61.9	0	0	0	0	110.7	D99 F104 V141 T148 R205 I206 L208	D99-V143 CarbonylContact O-C 3.58Å; D99-V143 VanDerWaalsContact O-CA 3.23Å; D99-V143 WeakPolarHBondContact O-CA 3.25Å; D99-V143 WeakPolarHBondContact O-CB 3.45Å; F104-V143 HydrophobicContact CE1-CG1 4.48Å; V141-V143 HydrophobicContact CG1-CG1 4.14Å; V143-T148 WeakPolarHBondContact CB-OG1 3.4Å; V143-T148 HydrophobicContact CG2-CG2 4.47Å; V143-T148 VanDerWaalsContact CG2-OG1 3.24Å; V143-T148 WeakPolarHBondContact CG2-OG1 3.36Å; V143-R205 CarbonylContact O-C 3.59Å; V143-R205 VanDerWaalsContact O-CA 3.27Å; V143-R205 WeakPolarHBondContact O-CA 3.39Å; V143-I206 HydrophobicContact CG2-CG2 4.03Å; V143-I206 PolarHBondContact N-O 2.92Å; V143-I206 PolarHBondContact O-N 3.46Å; V143-L208 HydrophobicContact CG1-CD1 4.07Å; V143-L208 HydrophobicContact CG1-CG 4.22Å; V143-L208 HydrophobicContact CG2-CD1 4.41Å; V143-L208 HydrophobicContact CG2-CD2 3.79Å; V143-L208 HydrophobicContact CG2-CG 3.82Å
144	S	97.2	Very high	96.4	Very high	18 Å²	18	23.1 Å²	23.1	13%	0.126	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131	168.9	171.8	0	0	0	0	109.6	D99 F146 E147 T148 P204	D99-S144 PolarHBondContact O-N 3.31Å; S144-F146 VanDerWaalsContact C-N 3.32Å; S144-E147 WeakPolarHBondContact OG-CG 3.19Å; S144-E147 PolarHBondContact OG-N 3.31Å; S144-T148 VanDerWaalsContact O-CB 3.23Å; S144-T148 WeakPolarHBondContact O-CB 3.49Å; S144-T148 PolarHBondContact O-N 2.96Å; S144-T148 PolarHBondContact O-OG1 2.82Å; S144-P204 WeakPolarHBondContact CA-O 3.46Å
145	V	98.2	Very high	96.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-66.2	-39	178.7	175	0	0	0	0	110.7	N149 A194 P202 Y203 P204 I206	V145-N149 WeakPolarHBondContact O-CB 3.44Å; V145-N149 PolarHBondContact O-N 3.29Å; V145-A194 HydrophobicContact CG1-CB 4.36Å; V145-A194 HydrophobicContact CG2-CB 3.73Å; V145-P202 HydrophobicContact CG1-CB 4.37Å; V145-Y203 WeakPolarHBondContact CG2-O 3.37Å; V145-P204 PolarHBondContact N-O 2.97Å; V145-I206 HydrophobicContact CG2-CB 3.94Å; V145-I206 HydrophobicContact CG2-CG2 3.65Å
146	F	98.4	Very high	96.7	Very high	30 Å²	30	19.2 Å²	19.2	13%	0.132	10%	0.101	C	C	.	.	H	α-helix	trans	-63	-56.6	177	168.3	-100.2	0	0	0	111.8	S144 T148 N149 I150 A228 C229 T232	S144-F146 VanDerWaalsContact C-N 3.32Å; F146-T148 VanDerWaalsContact C-N 3.31Å; F146-T148 PolarHBondContact O-N 3.33Å; F146-N149 WeakPolarHBondContact O-CB 3.39Å; F146-N149 PolarHBondContact O-N 3.13Å; F146-N149 VanDerWaalsContact O-N 3.08Å; F146-I150 HydrophobicContact CD1-CD1 4.11Å; F146-I150 HydrophobicContact CD2-CG2 4.48Å; F146-I150 HydrophobicContact CE1-CD1 3.61Å; F146-I150 HydrophobicContact CE2-CD1 4.16Å; F146-I150 HydrophobicContact CE2-CG2 4.4Å; F146-I150 HydrophobicContact CZ-CD1 3.65Å; F146-I150 PolarHBondContact O-N 3.24Å; F146-A228 HydrophobicContact CE2-CB 4.16Å; F146-C229 HydrophobicContact CB-CB 4.32Å; F146-T232 HydrophobicContact CE2-CG2 3.94Å
147	E	98.2	Very high	96.9	Very high	46 Å²	46	15.7 Å²	15.7	22%	0.215	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-40.2	-179.8	-56.8	-70.4	171.5	0	0	111.5	A100 S144 N149 R151	A100-E147 HydrophobicContact CB-CB 3.85Å; A100-E147 HydrophobicContact CB-CG 4.07Å; S144-E147 WeakPolarHBondContact OG-CG 3.19Å; S144-E147 PolarHBondContact OG-N 3.31Å; E147-N149 VanDerWaalsContact C-N 3.29Å; E147-N149 PolarHBondContact O-N 3.12Å; E147-R151 WeakPolarHBondContact O-CG 3.26Å; E147-R151 PolarHBondContact O-N 3.1Å; E147-R151 IonicContact OE1-NH2 3.53Å; E147-R151 IonicContact OE2-CZ 2.61Å; E147-R151 IonicContact OE2-NE 3.3Å; E147-R151 PolarHBondContact OE2-NE 3.33Å; E147-R151 IonicContact OE2-NH2 3.37Å; E147-R151 PolarHBondContact OE2-NH2 2.89Å
148	T	98.4	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-68.7	-30.5	178.2	-53.4	0	0	0	0	111.8	V143 S144 F146 V152 L153 L187 L191	V143-T148 WeakPolarHBondContact CB-OG1 3.4Å; V143-T148 HydrophobicContact CG2-CG2 4.47Å; V143-T148 VanDerWaalsContact CG2-OG1 3.24Å; V143-T148 WeakPolarHBondContact CG2-OG1 3.36Å; S144-T148 VanDerWaalsContact O-CB 3.23Å; S144-T148 WeakPolarHBondContact O-CB 3.49Å; S144-T148 PolarHBondContact O-N 2.96Å; S144-T148 PolarHBondContact O-OG1 2.82Å; F146-T148 VanDerWaalsContact C-N 3.31Å; F146-T148 PolarHBondContact O-N 3.33Å; T148-V152 HydrophobicContact CG2-CB 4.36Å; T148-V152 HydrophobicContact CG2-CG2 4.28Å; T148-V152 VanDerWaalsContact O-CB 3.28Å; T148-V152 WeakPolarHBondContact O-CB 3.36Å; T148-V152 PolarHBondContact O-N 2.98Å; T148-L153 PolarHBondContact O-N 2.99Å; T148-L153 VanDerWaalsContact O-N 3.08Å; T148-L187 HydrophobicContact CG2-CD1 3.8Å; T148-L187 HydrophobicContact CG2-CD2 4.13Å; T148-L187 HydrophobicContact CG2-CG 4.34Å; T148-L191 HydrophobicContact CG2-CD1 4.41Å; T148-L191 HydrophobicContact CG2-CD2 4.03Å
149	N	98.8	Very high	97.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-69.5	-62.5	172.4	179.4	74.3	0	0	0	111.2	V145 F146 E147 R151 L153 G154 L191 T232 L233 E236 F237	V145-N149 WeakPolarHBondContact O-CB 3.44Å; V145-N149 PolarHBondContact O-N 3.29Å; F146-N149 WeakPolarHBondContact O-CB 3.39Å; F146-N149 PolarHBondContact O-N 3.13Å; F146-N149 VanDerWaalsContact O-N 3.08Å; E147-N149 VanDerWaalsContact C-N 3.29Å; E147-N149 PolarHBondContact O-N 3.12Å; N149-R151 PolarHBondContact O-N 3.38Å; N149-L153 WeakPolarHBondContact O-CA 3.46Å; N149-L153 WeakPolarHBondContact O-CB 3.45Å; N149-L153 PolarHBondContact O-N 3.48Å; N149-L153 VanDerWaalsContact O-N 3.16Å; N149-G154 PolarHBondContact O-N 2.72Å; N149-L191 HydrophobicContact CB-CD1 4.47Å; N149-T232 PolarHBondContact ND2-O 3.3Å; N149-T232 VanDerWaalsContact ND2-O 3.14Å; N149-L233 HydrophobicContact CB-CD2 3.43Å; N149-L233 VanDerWaalsContact CB-CD2 3.43Å; N149-L233 VanDerWaalsContact CG-CD2 3.44Å; N149-E236 PolarHBondContact ND2-OE2 2.94Å; N149-E236 WeakPolarHBondContact OD1-CB 3.48Å; N149-F237 VanDerWaalsContact OD1-CD1 3.29Å; N149-F237 WeakPolarHBondContact OD1-CD1 3.35Å; N149-F237 WeakPolarHBondContact OD1-CE1 3.34Å
150	I	98.7	Very high	97.7	Very high	4 Å²	4	11 Å²	11	2%	0.021	6%	0.057	C	C	.	.	I	π-helix	trans	-64.3	-41.5	-167.2	66.4	-172.1	0	0	0	111.9	F146 G154 T232 T492 E493 H495	F146-I150 HydrophobicContact CD1-CD1 4.11Å; F146-I150 HydrophobicContact CD2-CG2 4.48Å; F146-I150 HydrophobicContact CE1-CD1 3.61Å; F146-I150 HydrophobicContact CE2-CD1 4.16Å; F146-I150 HydrophobicContact CE2-CG2 4.4Å; F146-I150 HydrophobicContact CZ-CD1 3.65Å; F146-I150 PolarHBondContact O-N 3.24Å; I150-G154 WeakPolarHBondContact O-CA 3.47Å; I150-T232 HydrophobicContact CG2-CG2 3.91Å; I150-T492 HydrophobicContact CB-CG2 4Å; I150-T492 HydrophobicContact CD1-CG2 4.05Å; I150-T492 HydrophobicContact CG2-CG2 3.79Å; I150-E493 HydrophobicContact CB-CB 4.4Å; I150-E493 VanDerWaalsContact CD1-OE2 3.23Å; I150-E493 WeakPolarHBondContact CD1-OE2 3.32Å; I150-E493 WeakPolarHBondContact CG1-OE2 3.37Å; I150-H495 PolarHBondContact O-CD2 2.92Å; I150-H495 PolarHBondContact O-NE2 3.18Å
151	R	98.6	Very high	97.8	Very high	19 Å²	19	7.6 Å²	7.6	7%	0.072	4%	0.039	C	C	.	.	I	π-helix	trans	-88.1	-46.9	-177.1	-41.3	-167.9	-167.5	-140.3	-8	113.8	L106 E147 N149 G155 S461 E493 H495	L106-R151 HydrophobicContact CD1-CB 3.64Å; L106-R151 HydrophobicContact CD1-CG 4.33Å; E147-R151 WeakPolarHBondContact O-CG 3.26Å; E147-R151 PolarHBondContact O-N 3.1Å; E147-R151 IonicContact OE1-NH2 3.53Å; E147-R151 IonicContact OE2-CZ 2.61Å; E147-R151 IonicContact OE2-NE 3.3Å; E147-R151 PolarHBondContact OE2-NE 3.33Å; E147-R151 IonicContact OE2-NH2 3.37Å; E147-R151 PolarHBondContact OE2-NH2 2.89Å; N149-R151 PolarHBondContact O-N 3.38Å; R151-G155 WeakPolarHBondContact O-CA 3.36Å; R151-G155 PolarHBondContact O-N 3.15Å; R151-S461 PolarHBondContact NH1-OG 3.19Å; R151-E493 WeakPolarHBondContact CD-OE1 3.13Å; R151-E493 VanDerWaalsContact CG-CD 3.5Å; R151-E493 HydrophobicContact CG-CG 4.03Å; R151-E493 VanDerWaalsContact CG-OE1 3.29Å; R151-E493 WeakPolarHBondContact CG-OE1 3.46Å; R151-E493 IonicContact CZ-OE1 2.99Å; R151-E493 VanDerWaalsContact CZ-OE1 3.24Å; R151-E493 IonicContact NE-OE1 3.17Å; R151-E493 PolarHBondContact NE-OE1 3.01Å; R151-E493 IonicContact NH1-OE1 3.57Å; R151-E493 PolarHBondContact NH1-OE1 2.68Å; R151-E493 IonicContact NH2-OE1 3.66Å; R151-H495 PolarHBondContact O-NE2 3.2Å
152	V	98.6	Very high	98	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-90.2	-48.1	-168.9	-163.5	0	0	0	0	110.9	F104 L106 I109 T148 L156 L187	F104-V152 HydrophobicContact CD2-CG1 4.4Å; F104-V152 HydrophobicContact CD2-CG2 4.1Å; F104-V152 HydrophobicContact CE1-CG2 4.08Å; F104-V152 HydrophobicContact CE2-CG1 4.44Å; F104-V152 HydrophobicContact CE2-CG2 3.36Å; F104-V152 HydrophobicContact CZ-CG2 3.37Å; L106-V152 HydrophobicContact CD1-CG2 4.08Å; I109-V152 HydrophobicContact CD1-CG1 3.83Å; I109-V152 HydrophobicContact CG2-CG1 4.34Å; T148-V152 HydrophobicContact CG2-CB 4.36Å; T148-V152 HydrophobicContact CG2-CG2 4.28Å; T148-V152 VanDerWaalsContact O-CB 3.28Å; T148-V152 WeakPolarHBondContact O-CB 3.36Å; T148-V152 PolarHBondContact O-N 2.98Å; V152-L156 HydrophobicContact CG1-CD1 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 WeakPolarHBondContact O-CD1 3.45Å; V152-L156 WeakPolarHBondContact O-CG 3.39Å; V152-L156 PolarHBondContact O-N 3.06Å; V152-L156 VanDerWaalsContact O-N 3.11Å; V152-L187 HydrophobicContact CB-CD2 3.81Å; V152-L187 HydrophobicContact CG1-CD2 3.64Å
153	L	98.8	Very high	98.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-70.6	-42.1	173.5	-173.6	60.8	0	0	0	110.5	T148 N149 L157 A184 L187 E236 F237 L240	T148-L153 PolarHBondContact O-N 2.99Å; T148-L153 VanDerWaalsContact O-N 3.08Å; N149-L153 WeakPolarHBondContact O-CA 3.46Å; N149-L153 WeakPolarHBondContact O-CB 3.45Å; N149-L153 PolarHBondContact O-N 3.48Å; N149-L153 VanDerWaalsContact O-N 3.16Å; L153-L157 HydrophobicContact CD1-CD1 4.13Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 3.89Å; L153-L157 HydrophobicContact CG-CG 4.48Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 WeakPolarHBondContact O-CD1 3.48Å; L153-L157 WeakPolarHBondContact O-CG 3.4Å; L153-L157 PolarHBondContact O-N 2.86Å; L153-A184 HydrophobicContact CD1-CB 3.6Å; L153-A184 WeakPolarHBondContact CD1-O 2.91Å; L153-L187 HydrophobicContact CB-CD2 4.09Å; L153-E236 HydrophobicContact CD2-CB 3.93Å; L153-E236 HydrophobicContact CG-CB 4.06Å; L153-F237 HydrophobicContact CD2-CD1 3.67Å; L153-F237 HydrophobicContact CD2-CE1 3.63Å; L153-L240 HydrophobicContact CD1-CD1 4.46Å; L153-L240 HydrophobicContact CD1-CD2 4.17Å; L153-L240 HydrophobicContact CD2-CD2 4.21Å
154	G	98.6	Very high	98.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-55.9	-56.7	171.8	0	0	0	0	0	112.9	N149 I150 L156 L157 G158	N149-G154 PolarHBondContact O-N 2.72Å; I150-G154 WeakPolarHBondContact O-CA 3.47Å; G154-L156 VanDerWaalsContact C-N 3.35Å; G154-L156 PolarHBondContact O-N 2.88Å; G154-L157 CarbonylContact O-C 3.56Å; G154-L157 PolarHBondContact O-N 3.25Å; G154-G158 PolarHBondContact O-N 3.05Å
155	G	98.6	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.6	-36.2	-179.6	0	0	0	0	0	114.3	R151 G159 H495	R151-G155 WeakPolarHBondContact O-CA 3.36Å; R151-G155 PolarHBondContact O-N 3.15Å; G155-G159 PolarHBondContact O-N 2.8Å; G155-H495 VanDerWaalsContact CA-CE1 3.44Å; G155-H495 WeakPolarHBondContact CA-CE1 3.39Å; G155-H495 PolarHBondContact N-CD2 3.2Å; G155-H495 VanDerWaalsContact N-CD2 3.33Å; G155-H495 PolarHBondContact N-NE2 3.4Å; G155-H495 VanDerWaalsContact N-NE2 3.19Å
156	L	98.9	Very high	97.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.8	-37.4	172.3	-71.3	172.8	0	0	0	112.4	I109 V131 V152 G154 H160 L180 M183 A184 L187	I109-L156 HydrophobicContact CG2-CD2 4.17Å; I109-L156 HydrophobicContact CG2-CG 3.94Å; V131-L156 HydrophobicContact CG1-CD2 4.1Å; V152-L156 HydrophobicContact CG1-CD1 4.39Å; V152-L156 WeakPolarHBondContact O-CB 3.47Å; V152-L156 WeakPolarHBondContact O-CD1 3.45Å; V152-L156 WeakPolarHBondContact O-CG 3.39Å; V152-L156 PolarHBondContact O-N 3.06Å; V152-L156 VanDerWaalsContact O-N 3.11Å; G154-L156 VanDerWaalsContact C-N 3.35Å; G154-L156 PolarHBondContact O-N 2.88Å; L156-H160 VanDerWaalsContact O-CB 3.25Å; L156-H160 WeakPolarHBondContact O-CB 3.39Å; L156-H160 PolarHBondContact O-N 3.28Å; L156-L180 HydrophobicContact CD2-CB 4.34Å; L156-L180 HydrophobicContact CD2-CD2 3.73Å; L156-M183 HydrophobicContact CD1-CB 4.06Å; L156-M183 HydrophobicContact CD2-CB 4.4Å; L156-A184 HydrophobicContact CB-CB 4.07Å; L156-A184 HydrophobicContact CD1-CB 4.48Å; L156-L187 HydrophobicContact CD1-CD2 4.45Å
157	L	98.8	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-76	-40.9	178.5	-70.7	171	0	0	0	112.7	L153 G154 H160 S161 L181 A184 E236 A239 L240 F243 L497	L153-L157 HydrophobicContact CD1-CD1 4.13Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 3.89Å; L153-L157 HydrophobicContact CG-CG 4.48Å; L153-L157 WeakPolarHBondContact O-CB 3.36Å; L153-L157 WeakPolarHBondContact O-CD1 3.48Å; L153-L157 WeakPolarHBondContact O-CG 3.4Å; L153-L157 PolarHBondContact O-N 2.86Å; G154-L157 CarbonylContact O-C 3.56Å; G154-L157 PolarHBondContact O-N 3.25Å; L157-H160 PolarHBondContact O-N 3.08Å; L157-S161 WeakPolarHBondContact O-CB 3.5Å; L157-S161 PolarHBondContact O-N 2.92Å; L157-S161 PolarHBondContact O-OG 3.36Å; L157-L181 HydrophobicContact CD2-CD1 3.98Å; L157-A184 HydrophobicContact CD2-CB 4.11Å; L157-A184 HydrophobicContact CG-CB 4.36Å; L157-E236 HydrophobicContact CD1-CB 3.97Å; L157-E236 WeakPolarHBondContact CD1-O 3.41Å; L157-A239 HydrophobicContact CD1-CB 4.24Å; L157-L240 HydrophobicContact CD1-CB 4.28Å; L157-L240 HydrophobicContact CD2-CB 4.42Å; L157-L240 HydrophobicContact CD2-CD1 4.14Å; L157-F243 HydrophobicContact CD2-CD2 3.93Å; L157-F243 HydrophobicContact CD2-CE2 4.35Å; L157-L497 HydrophobicContact CB-CD2 3.91Å
158	G	98.2	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-45.6	172.8	0	0	0	0	0	111.5	G154 H160 S161 L162	G154-G158 PolarHBondContact O-N 3.05Å; G158-H160 PolarHBondContact O-N 3.16Å; G158-S161 PolarHBondContact O-N 2.72Å; G158-L162 PolarHBondContact O-N 2.98Å
159	G	98.2	Very high	97.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58	-44	171.6	0	0	0	0	0	112.8	F124 G155 A163	F124-G159 WeakPolarHBondContact CZ-O 3.5Å; G155-G159 PolarHBondContact O-N 2.8Å; G159-A163 WeakPolarHBondContact O-CB 3.25Å; G159-A163 PolarHBondContact O-N 2.94Å
160	H	98.6	Very high	96.7	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-62.6	-44.1	174.1	168.1	77.5	0	0	0	112.4	L156 L157 G158 L162 A163 I164 Y176 D178 L180 F243	L156-H160 VanDerWaalsContact O-CB 3.25Å; L156-H160 WeakPolarHBondContact O-CB 3.39Å; L156-H160 PolarHBondContact O-N 3.28Å; L157-H160 PolarHBondContact O-N 3.08Å; G158-H160 PolarHBondContact O-N 3.16Å; H160-L162 PolarHBondContact O-N 3.38Å; H160-A163 PolarHBondContact O-N 3.02Å; H160-I164 VanDerWaalsContact CE1-CD1 3.46Å; H160-I164 WeakPolarHBondContact CE1-CD1 3.23Å; H160-I164 WeakPolarHBondContact NE2-CD1 3.25Å; H160-I164 PolarHBondContact O-N 3.19Å; H160-Y176 WeakPolarHBondContact CA-OH 3.39Å; H160-Y176 WeakPolarHBondContact CB-OH 3.43Å; H160-Y176 AromaticContact ND1-CE1 3.87Å; H160-Y176 AromaticContact ND1-CZ 3.83Å; H160-Y176 PolarHBondContact ND1-OH 3.05Å; H160-D178 IonicContact CE1-OD1 3.42Å; H160-D178 PolarHBondContact CE1-OD1 2.79Å; H160-D178 IonicContact ND1-OD1 2.72Å; H160-L180 HydrophobicContact CB-CB 4.22Å; H160-F243 AromaticContact CD2-CD1 3.76Å; H160-F243 AromaticContact CD2-CE1 3.68Å; H160-F243 AromaticContact CD2-CZ 3.93Å; H160-F243 AromaticContact NE2-CD1 3.38Å; H160-F243 WeakPolarHBondContact NE2-CD1 3.34Å; H160-F243 AromaticContact NE2-CE1 3.6Å; H160-F243 AromaticContact NE2-CG 3.94Å
161	S	97.2	Very high	95.8	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.028	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-46.6	-179.4	-58.8	0	0	0	0	111.9	L157 G158 I164 M165 F243 P498	L157-S161 WeakPolarHBondContact O-CB 3.5Å; L157-S161 PolarHBondContact O-N 2.92Å; L157-S161 PolarHBondContact O-OG 3.36Å; G158-S161 PolarHBondContact O-N 2.72Å; S161-I164 PolarHBondContact O-N 3.27Å; S161-M165 PolarHBondContact O-N 2.99Å; S161-M165 VanDerWaalsContact O-N 3.12Å; S161-F243 VanDerWaalsContact OG-CZ 3.31Å; S161-F243 WeakPolarHBondContact OG-CZ 3.37Å; S161-P498 VanDerWaalsContact OG-CD 3.32Å; S161-P498 WeakPolarHBondContact OG-CD 3.18Å
162	L	96.8	Very high	95.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-77.2	-26	179.2	-60.5	-179.5	0	0	0	112.7	D113 V116 G158 H160 M165 L166 F483 Y488 L496	D113-L162 HydrophobicContact CB-CD1 3.55Å; V116-L162 HydrophobicContact CB-CB 4.33Å; V116-L162 HydrophobicContact CB-CD1 3.82Å; V116-L162 HydrophobicContact CG1-CB 4.23Å; V116-L162 HydrophobicContact CG1-CD1 4.15Å; V116-L162 HydrophobicContact CG2-CB 4.11Å; V116-L162 HydrophobicContact CG2-CD1 4.25Å; G158-L162 PolarHBondContact O-N 2.98Å; H160-L162 PolarHBondContact O-N 3.38Å; L162-M165 HydrophobicContact CB-CE 4.39Å; L162-M165 HydrophobicContact CD2-CE 3.78Å; L162-M165 PolarHBondContact O-N 3.39Å; L162-L166 WeakPolarHBondContact O-CB 3.5Å; L162-L166 WeakPolarHBondContact O-CG 3.15Å; L162-L166 PolarHBondContact O-N 3.33Å; L162-F483 HydrophobicContact CD1-CZ 4.23Å; L162-F483 HydrophobicContact CD2-CD2 4.46Å; L162-F483 HydrophobicContact CD2-CE1 4.2Å; L162-F483 HydrophobicContact CD2-CE2 3.91Å; L162-F483 HydrophobicContact CD2-CZ 3.76Å; L162-Y488 HydrophobicContact CD2-CE1 3.82Å; L162-L496 HydrophobicContact CD1-CD1 4.02Å
163	A	97.4	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-39.9	169.3	0	0	0	0	0	112.3	F124 G159 H160 K167 M173 Y176	F124-A163 HydrophobicContact CE1-CB 4.22Å; F124-A163 HydrophobicContact CZ-CB 4.05Å; G159-A163 WeakPolarHBondContact O-CB 3.25Å; G159-A163 PolarHBondContact O-N 2.94Å; H160-A163 PolarHBondContact O-N 3.02Å; A163-K167 VanDerWaalsContact O-CB 3.24Å; A163-K167 WeakPolarHBondContact O-CB 3.19Å; A163-K167 PolarHBondContact O-N 3.07Å; A163-M173 HydrophobicContact CB-CE 3.57Å; A163-M173 HydrophobicContact CB-CG 4.38Å; A163-Y176 HydrophobicContact CB-CD1 3.58Å; A163-Y176 HydrophobicContact CB-CD2 4.44Å; A163-Y176 HydrophobicContact CB-CE1 3.4Å; A163-Y176 HydrophobicContact CB-CE2 4.32Å; A163-Y176 HydrophobicContact CB-CG 4.1Å
164	I	95.9	Very high	95.2	Very high	37 Å²	37	34.1 Å²	34.1	19%	0.19	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-52.6	170.7	-70.6	174.1	0	0	0	110.1	H160 S161 L166 K167 E168	H160-I164 VanDerWaalsContact CE1-CD1 3.46Å; H160-I164 WeakPolarHBondContact CE1-CD1 3.23Å; H160-I164 WeakPolarHBondContact NE2-CD1 3.25Å; H160-I164 PolarHBondContact O-N 3.19Å; S161-I164 PolarHBondContact O-N 3.27Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.3Å; I164-K167 CarbonylContact O-C 3.58Å; I164-K167 WeakPolarHBondContact O-CA 3.32Å; I164-K167 WeakPolarHBondContact O-CB 3.38Å; I164-K167 PolarHBondContact O-N 3.17Å; I164-E168 HydrophobicContact CG2-CG 4.11Å; I164-E168 WeakPolarHBondContact O-CG 3.48Å; I164-E168 PolarHBondContact O-N 3.41Å
165	M	94.9	Very high	95.2	Very high	16 Å²	16	38.4 Å²	38.4	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-41.1	-178	177.5	-80.2	-65.8	0	0	113	V116 S161 L162 K169 F483	V116-M165 HydrophobicContact CG1-CE 3.9Å; S161-M165 PolarHBondContact O-N 2.99Å; S161-M165 VanDerWaalsContact O-N 3.12Å; L162-M165 HydrophobicContact CB-CE 4.39Å; L162-M165 HydrophobicContact CD2-CE 3.78Å; L162-M165 PolarHBondContact O-N 3.39Å; M165-K169 WeakPolarHBondContact O-CG 3.28Å; M165-K169 PolarHBondContact O-N 3.26Å; M165-K169 HydrophobicContact SD-CD 3.8Å; M165-K169 VanDerWaalsContact SD-CE 3.51Å; M165-K169 PolarHBondContact SD-NZ 2.89Å; M165-F483 HydrophobicContact CE-CB 4.06Å; M165-F483 HydrophobicContact CE-CD1 3.55Å; M165-F483 HydrophobicContact CE-CE1 4.1Å; M165-F483 HydrophobicContact CE-CG 3.83Å; M165-F483 HydrophobicContact SD-CB 4.04Å; M165-F483 HydrophobicContact SD-CG 4.46Å
166	L	95.6	Very high	95.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-33.8	174.5	-72.9	174.8	0	0	0	112.8	V116 T121 F124 L162 I164 H172 M173 I482	V116-L166 HydrophobicContact CG1-CD1 4.02Å; V116-L166 HydrophobicContact CG1-CD2 4.4Å; V116-L166 HydrophobicContact CG1-CG 4.3Å; V116-L166 HydrophobicContact CG2-CD1 3.99Å; T121-L166 HydrophobicContact CG2-CD1 4.38Å; T121-L166 HydrophobicContact CG2-CD2 3.95Å; F124-L166 HydrophobicContact CD1-CD1 3.66Å; F124-L166 HydrophobicContact CE1-CD1 3.74Å; L162-L166 WeakPolarHBondContact O-CB 3.5Å; L162-L166 WeakPolarHBondContact O-CG 3.15Å; L162-L166 PolarHBondContact O-N 3.33Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.3Å; L166-H172 HydrophobicContact CB-CB 4.14Å; L166-H172 HydrophobicContact CD1-CB 4.48Å; L166-M173 HydrophobicContact CB-CB 4.33Å; L166-M173 HydrophobicContact CB-CG 3.98Å; L166-M173 HydrophobicContact CD1-CG 4.14Å; L166-I482 HydrophobicContact CD2-CD1 3.91Å
167	K	95.6	Very high	95	Very high	72 Å²	72	43.3 Å²	43.3	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-70.1	-42.8	176.6	-175.8	178.4	177.1	-174.8	0	111.8	A163 I164 K169 G170 H172 M173 Q174 Y176	A163-K167 VanDerWaalsContact O-CB 3.24Å; A163-K167 WeakPolarHBondContact O-CB 3.19Å; A163-K167 PolarHBondContact O-N 3.07Å; I164-K167 CarbonylContact O-C 3.58Å; I164-K167 WeakPolarHBondContact O-CA 3.32Å; I164-K167 WeakPolarHBondContact O-CB 3.38Å; I164-K167 PolarHBondContact O-N 3.17Å; K167-K169 VanDerWaalsContact C-N 3.31Å; K167-K169 PolarHBondContact O-N 2.8Å; K167-G170 PolarHBondContact O-N 3.49Å; K167-H172 WeakPolarHBondContact CA-O 3.4Å; K167-M173 HydrophobicContact CB-CB 4.29Å; K167-Q174 PolarHBondContact O-NE2 2.74Å; K167-Y176 WeakPolarHBondContact CE-O 3.31Å; K167-Y176 PolarHBondContact NZ-O 2.92Å
168	E	93.1	Very high	95	Very high	160 Å²	160	45.9 Å²	45.9	75%	0.748	23%	0.228	S	C	*	.	H	α-helix	trans	-64.5	-32.4	178.1	-71.8	-175.8	152.8	0	0	113	I164 G170	I164-E168 HydrophobicContact CG2-CG 4.11Å; I164-E168 WeakPolarHBondContact O-CG 3.48Å; I164-E168 PolarHBondContact O-N 3.41Å; E168-G170 PolarHBondContact O-N 2.74Å
169	K	91.1	Very high	95	Very high	88 Å²	88	48.5 Å²	48.5	38%	0.383	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-18.2	171.8	-75.4	172.7	174.5	172.8	0	114.3	M165 K167 E171 I482	M165-K169 WeakPolarHBondContact O-CG 3.28Å; M165-K169 PolarHBondContact O-N 3.26Å; M165-K169 HydrophobicContact SD-CD 3.8Å; M165-K169 VanDerWaalsContact SD-CE 3.51Å; M165-K169 PolarHBondContact SD-NZ 2.89Å; K167-K169 VanDerWaalsContact C-N 3.31Å; K167-K169 PolarHBondContact O-N 2.8Å; K169-E171 VanDerWaalsContact C-N 3.33Å; K169-E171 PolarHBondContact O-N 3.02Å; K169-I482 PolarHBondContact NZ-O 3.34Å
170	G	87.9	Confident	95	Very high	48 Å²	48	48.5 Å²	48.5	50%	0.495	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	2.8	178.7	0	0	0	0	0	115.7	K167 E168	K167-G170 PolarHBondContact O-N 3.49Å; E168-G170 PolarHBondContact O-N 2.74Å
171	E	80.6	Confident	95	Very high	147 Å²	147	49 Å²	49	69%	0.687	24%	0.242	S	C	*	.	S	Bend	trans	-94.2	-39.7	-173.4	-61.5	-173.2	145	0	0	113.4	K169	K169-E171 VanDerWaalsContact C-N 3.33Å; K169-E171 PolarHBondContact O-N 3.02Å
172	H	92.6	Very high	95.1	Very high	36 Å²	36	53.9 Å²	53.9	17%	0.167	27%	0.265	C	S	.	.	S	Bend	trans	-135.6	174.3	-173.4	-89.4	-77.3	0	0	0	111.1	T121 E125 L166 K167 Q174	T121-H172 PolarHBondContact OG1-CD2 2.86Å; T121-H172 PolarHBondContact OG1-NE2 2.76Å; E125-H172 IonicContact OE2-CE1 3.27Å; E125-H172 IonicContact OE2-CG 2.67Å; E125-H172 IonicContact OE2-ND1 3.8Å; E125-H172 PolarHBondContact OE2-ND1 3.43Å; L166-H172 HydrophobicContact CB-CB 4.14Å; L166-H172 HydrophobicContact CD1-CB 4.48Å; K167-H172 WeakPolarHBondContact CA-O 3.4Å; H172-Q174 PolarHBondContact O-N 3.06Å; H172-Q174 PolarHBondContact O-NE2 2.96Å
173	M	96.2	Very high	95.1	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.			trans	55.2	20	172.2	-58.8	-59.4	-75.2	0	0	115.6	F124 E125 V128 A163 L166 K167 W175 Y176	F124-M173 HydrophobicContact CD1-CG 4.33Å; F124-M173 HydrophobicContact CD1-SD 3.98Å; F124-M173 HydrophobicContact CE1-CE 3.81Å; F124-M173 HydrophobicContact CE1-CG 3.87Å; F124-M173 HydrophobicContact CE1-SD 3.7Å; F124-M173 HydrophobicContact CZ-CE 4.3Å; E125-M173 HydrophobicContact CB-SD 3.75Å; E125-M173 HydrophobicContact CG-SD 3.6Å; E125-M173 VanDerWaalsContact CG-SD 3.6Å; E125-M173 PolarHBondContact OE2-N 3.28Å; V128-M173 HydrophobicContact CB-CE 4.24Å; V128-M173 HydrophobicContact CG1-CE 4.13Å; V128-M173 HydrophobicContact CG2-CE 4.01Å; A163-M173 HydrophobicContact CB-CE 3.57Å; A163-M173 HydrophobicContact CB-CG 4.38Å; L166-M173 HydrophobicContact CB-CB 4.33Å; L166-M173 HydrophobicContact CB-CG 3.98Å; L166-M173 HydrophobicContact CD1-CG 4.14Å; K167-M173 HydrophobicContact CB-CB 4.29Å; M173-W175 HydrophobicContact CE-CZ2 4.16Å; M173-W175 PolarHBondContact O-N 2.69Å; M173-W175 VanDerWaalsContact O-N 3.09Å; M173-W175 HydrophobicContact SD-CZ2 4.31Å; M173-Y176 HydrophobicContact CE-CD2 3.92Å; M173-Y176 HydrophobicContact CE-CG 3.92Å; M173-Y176 WeakPolarHBondContact O-CB 3.32Å; M173-Y176 PolarHBondContact O-N 3.34Å
174	Q	95.4	Very high	95.2	Very high	104 Å²	104	55 Å²	55	49%	0.486	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.7	-173.6	-64.1	-58.8	-66.2	0	0	114.1	K167 H172	K167-Q174 PolarHBondContact O-NE2 2.74Å; H172-Q174 PolarHBondContact O-N 3.06Å; H172-Q174 PolarHBondContact O-NE2 2.96Å
175	W	96.6	Very high	95.3	Very high	89 Å²	89	56.1 Å²	56.1	34%	0.337	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.4	176.3	59.6	-91.8	0	0	0	114	E125 V128 R129 L132 M173	E125-W175 HydrophobicContact CG-CZ2 4.04Å; E125-W175 PolarHBondContact OE1-NE1 2.58Å; V128-W175 HydrophobicContact CG1-CH2 3.92Å; R129-W175 HydrophobicContact CG-CH2 4.02Å; R129-W175 HydrophobicContact CG-CZ2 3.88Å; L132-W175 HydrophobicContact CD1-CH2 4.1Å; L132-W175 HydrophobicContact CD1-CZ3 3.95Å; M173-W175 HydrophobicContact CE-CZ2 4.16Å; M173-W175 PolarHBondContact O-N 2.69Å; M173-W175 VanDerWaalsContact O-N 3.09Å; M173-W175 HydrophobicContact SD-CZ2 4.31Å
176	Y	97.9	Very high	95.5	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	30%	0.295	C	S	.	.			trans	-67.5	133.8	-170.4	178.1	-110.7	0	0	0	111.6	H160 A163 K167 M173 E179 L180	H160-Y176 WeakPolarHBondContact CA-OH 3.39Å; H160-Y176 WeakPolarHBondContact CB-OH 3.43Å; H160-Y176 AromaticContact ND1-CE1 3.87Å; H160-Y176 AromaticContact ND1-CZ 3.83Å; H160-Y176 PolarHBondContact ND1-OH 3.05Å; A163-Y176 HydrophobicContact CB-CD1 3.58Å; A163-Y176 HydrophobicContact CB-CD2 4.44Å; A163-Y176 HydrophobicContact CB-CE1 3.4Å; A163-Y176 HydrophobicContact CB-CE2 4.32Å; A163-Y176 HydrophobicContact CB-CG 4.1Å; K167-Y176 WeakPolarHBondContact CE-O 3.31Å; K167-Y176 PolarHBondContact NZ-O 2.92Å; M173-Y176 HydrophobicContact CE-CD2 3.92Å; M173-Y176 HydrophobicContact CE-CG 3.92Å; M173-Y176 WeakPolarHBondContact O-CB 3.32Å; M173-Y176 PolarHBondContact O-N 3.34Å; Y176-E179 WeakPolarHBondContact CD2-OE2 3.44Å; Y176-E179 VanDerWaalsContact CE2-OE2 3.28Å; Y176-E179 WeakPolarHBondContact CE2-OE2 3.33Å; Y176-L180 HydrophobicContact CE2-CB 4.43Å; Y176-L180 HydrophobicContact CE2-CD1 4.31Å; Y176-L180 HydrophobicContact CE2-CG 4.07Å; Y176-L180 WeakPolarHBondContact OH-CB 3.47Å
177	N	96.8	Very high	95.6	Very high	102 Å²	102	60.7 Å²	60.7	55%	0.545	30%	0.295	S	S	.	.			trans	-139	61.1	-177.9	-164.1	98.9	0	0	0	110.3	E179	N177-E179 VanDerWaalsContact N-CD 3.35Å; N177-E179 PolarHBondContact N-OE1 3.3Å; N177-E179 PolarHBondContact N-OE2 3.31Å; N177-E179 PolarHBondContact O-N 2.76Å
178	D	97.9	Very high	95.7	Very high	55 Å²	55	57.2 Å²	57.2	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	61.9	22.2	169.8	-50.6	-37	0	0	0	115.4	H160 L180 L181 H182	H160-D178 IonicContact CE1-OD1 3.42Å; H160-D178 PolarHBondContact CE1-OD1 2.79Å; H160-D178 IonicContact ND1-OD1 2.72Å; D178-L180 VanDerWaalsContact C-N 3.35Å; D178-L180 PolarHBondContact O-N 3.15Å; D178-L181 HydrophobicContact CB-CB 4.3Å; D178-L181 WeakPolarHBondContact O-CA 3.3Å; D178-L181 WeakPolarHBondContact O-CB 3.4Å; D178-L181 PolarHBondContact O-N 2.53Å; D178-H182 PolarHBondContact O-N 2.73Å
179	E	98.1	Very high	95.9	Very high	55 Å²	55	55 Å²	55	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-64.9	-36.1	-173.8	-59.1	90.8	160.2	0	0	112.6	L132 Y176 N177 L181 H182 M183	L132-E179 HydrophobicContact CD1-CB 3.62Å; L132-E179 HydrophobicContact CD1-CG 4Å; L132-E179 HydrophobicContact CD2-CB 3.48Å; L132-E179 VanDerWaalsContact CD2-CB 3.48Å; L132-E179 HydrophobicContact CG-CB 4.2Å; Y176-E179 WeakPolarHBondContact CD2-OE2 3.44Å; Y176-E179 VanDerWaalsContact CE2-OE2 3.28Å; Y176-E179 WeakPolarHBondContact CE2-OE2 3.33Å; N177-E179 VanDerWaalsContact N-CD 3.35Å; N177-E179 PolarHBondContact N-OE1 3.3Å; N177-E179 PolarHBondContact N-OE2 3.31Å; N177-E179 PolarHBondContact O-N 2.76Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.48Å; E179-H182 WeakPolarHBondContact O-CB 3.42Å; E179-H182 PolarHBondContact O-N 3.5Å; E179-M183 PolarHBondContact O-N 3.5Å
180	L	98.7	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-33.9	173.3	-60.8	172.6	0	0	0	111.6	L112 V128 V131 L132 L156 H160 Y176 D178 M183 A184	L112-L180 HydrophobicContact CD1-CD1 4.27Å; L112-L180 HydrophobicContact CD1-CD2 4.41Å; V128-L180 HydrophobicContact CG1-CD1 4Å; V128-L180 HydrophobicContact CG1-CD2 4.1Å; V128-L180 HydrophobicContact CG1-CG 4.03Å; V128-L180 HydrophobicContact CG2-CD1 4.03Å; V131-L180 HydrophobicContact CB-CD2 4.38Å; V131-L180 HydrophobicContact CG1-CD2 3.76Å; L132-L180 HydrophobicContact CD2-CD2 4.05Å; L156-L180 HydrophobicContact CD2-CB 4.34Å; L156-L180 HydrophobicContact CD2-CD2 3.73Å; H160-L180 HydrophobicContact CB-CB 4.22Å; Y176-L180 HydrophobicContact CE2-CB 4.43Å; Y176-L180 HydrophobicContact CE2-CD1 4.31Å; Y176-L180 HydrophobicContact CE2-CG 4.07Å; Y176-L180 WeakPolarHBondContact OH-CB 3.47Å; D178-L180 VanDerWaalsContact C-N 3.35Å; D178-L180 PolarHBondContact O-N 3.15Å; L180-M183 PolarHBondContact O-N 3.26Å; L180-A184 WeakPolarHBondContact O-CB 3.46Å; L180-A184 PolarHBondContact O-N 3.43Å
181	L	98.7	Very high	96.7	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.068	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-34.9	175.2	-177.9	67.3	0	0	0	111.4	L157 D178 E179 A184 K185 L240 F243 T244	L157-L181 HydrophobicContact CD2-CD1 3.98Å; D178-L181 HydrophobicContact CB-CB 4.3Å; D178-L181 WeakPolarHBondContact O-CA 3.3Å; D178-L181 WeakPolarHBondContact O-CB 3.4Å; D178-L181 PolarHBondContact O-N 2.53Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.48Å; L181-A184 PolarHBondContact O-N 2.8Å; L181-K185 WeakPolarHBondContact O-CB 3.2Å; L181-K185 PolarHBondContact O-N 3.02Å; L181-L240 HydrophobicContact CD1-CD1 4.13Å; L181-F243 HydrophobicContact CD1-CB 3.54Å; L181-F243 HydrophobicContact CD1-CD2 4.48Å; L181-F243 HydrophobicContact CD1-CG 4.18Å; L181-F243 HydrophobicContact CD2-CB 3.89Å; L181-F243 HydrophobicContact CG-CB 4.37Å; L181-T244 HydrophobicContact CD1-CG2 3.61Å; L181-T244 HydrophobicContact CD2-CG2 4.13Å; L181-T244 HydrophobicContact CG-CG2 3.83Å
182	H	98.4	Very high	97.5	Very high	107 Å²	107	44.5 Å²	44.5	50%	0.495	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-41	171.9	-67.8	-0.7	0	0	0	111.4	D178 E179 K185 Q186	D178-H182 PolarHBondContact O-N 2.73Å; E179-H182 WeakPolarHBondContact O-CB 3.42Å; E179-H182 PolarHBondContact O-N 3.5Å; H182-K185 PolarHBondContact O-N 3.26Å; H182-Q186 WeakPolarHBondContact O-CG 3.48Å; H182-Q186 PolarHBondContact O-N 3.18Å; H182-Q186 VanDerWaalsContact O-N 3.07Å
183	M	98.5	Very high	97.6	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.113	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-45.3	172.2	-67.3	176.8	73.1	0	0	112.2	V131 L132 V135 L137 L156 E179 L180 K185 Q186 L187	V131-M183 HydrophobicContact CG1-CE 3.9Å; V131-M183 HydrophobicContact CG1-SD 4.08Å; L132-M183 HydrophobicContact CD2-SD 3.61Å; V135-M183 HydrophobicContact CB-CE 3.83Å; V135-M183 HydrophobicContact CG1-CE 3.66Å; L137-M183 HydrophobicContact CD1-CB 4.2Å; L137-M183 HydrophobicContact CD1-CE 4.43Å; L156-M183 HydrophobicContact CD1-CB 4.06Å; L156-M183 HydrophobicContact CD2-CB 4.4Å; E179-M183 PolarHBondContact O-N 3.5Å; L180-M183 PolarHBondContact O-N 3.26Å; M183-K185 VanDerWaalsContact C-N 3.3Å; M183-K185 PolarHBondContact O-N 2.89Å; M183-Q186 WeakPolarHBondContact O-CB 3.33Å; M183-Q186 PolarHBondContact O-N 2.9Å; M183-Q186 VanDerWaalsContact O-N 3.16Å; M183-L187 PolarHBondContact O-N 3.06Å
184	A	98.7	Very high	97.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.7	-43.1	175.3	0	0	0	0	0	111.8	L153 L156 L157 L180 L181 L187 G188 L240	L153-A184 HydrophobicContact CD1-CB 3.6Å; L153-A184 WeakPolarHBondContact CD1-O 2.91Å; L156-A184 HydrophobicContact CB-CB 4.07Å; L156-A184 HydrophobicContact CD1-CB 4.48Å; L157-A184 HydrophobicContact CD2-CB 4.11Å; L157-A184 HydrophobicContact CG-CB 4.36Å; L180-A184 WeakPolarHBondContact O-CB 3.46Å; L180-A184 PolarHBondContact O-N 3.43Å; L181-A184 PolarHBondContact O-N 2.8Å; A184-L187 PolarHBondContact O-N 2.95Å; A184-G188 PolarHBondContact O-N 2.95Å; A184-L240 HydrophobicContact CB-CD1 3.89Å
185	K	98.6	Very high	97.8	Very high	60 Å²	60	40.4 Å²	40.4	26%	0.261	19%	0.189	S	C	.	.	H	α-helix	trans	-65.7	-39.5	176.6	-164.2	172.2	-167.8	164.3	0	112.5	L181 H182 M183 Y189 L240 T244 F249	L181-K185 WeakPolarHBondContact O-CB 3.2Å; L181-K185 PolarHBondContact O-N 3.02Å; H182-K185 PolarHBondContact O-N 3.26Å; M183-K185 VanDerWaalsContact C-N 3.3Å; M183-K185 PolarHBondContact O-N 2.89Å; K185-Y189 HydrophobicContact CD-CE2 4.29Å; K185-Y189 HydrophobicContact CG-CD2 4.16Å; K185-Y189 HydrophobicContact CG-CE2 3.75Å; K185-Y189 WeakPolarHBondContact O-CD2 3.12Å; K185-Y189 PolarHBondContact O-N 3.06Å; K185-L240 HydrophobicContact CB-CD1 4.33Å; K185-T244 HydrophobicContact CB-CG2 4.09Å; K185-T244 HydrophobicContact CD-CG2 3.78Å; K185-T244 HydrophobicContact CG-CG2 4.07Å; K185-T244 PolarHBondContact NZ-O 2.96Å; K185-T244 VanDerWaalsContact NZ-O 3.1Å; K185-F249 HydrophobicContact CG-CE2 4.49Å; K185-F249 HydrophobicContact CG-CZ 4.42Å
186	Q	97.9	Very high	97.7	Very high	114 Å²	114	39.9 Å²	39.9	53%	0.533	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-41.3	173.1	-71.9	175.4	12.5	0	0	111.8	H182 M183 K190	H182-Q186 WeakPolarHBondContact O-CG 3.48Å; H182-Q186 PolarHBondContact O-N 3.18Å; H182-Q186 VanDerWaalsContact O-N 3.07Å; M183-Q186 WeakPolarHBondContact O-CB 3.33Å; M183-Q186 PolarHBondContact O-N 2.9Å; M183-Q186 VanDerWaalsContact O-N 3.16Å; Q186-K190 WeakPolarHBondContact O-CG 3.4Å; Q186-K190 PolarHBondContact O-N 3.18Å; Q186-K190 VanDerWaalsContact O-N 3.15Å
187	L	98.3	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-46.8	177.2	-173.4	56.8	0	0	0	111.7	L137 T148 V152 L153 L156 M183 A184 Y189 K190 L191 L208	L137-L187 HydrophobicContact CD1-CB 4.21Å; T148-L187 HydrophobicContact CG2-CD1 3.8Å; T148-L187 HydrophobicContact CG2-CD2 4.13Å; T148-L187 HydrophobicContact CG2-CG 4.34Å; V152-L187 HydrophobicContact CB-CD2 3.81Å; V152-L187 HydrophobicContact CG1-CD2 3.64Å; L153-L187 HydrophobicContact CB-CD2 4.09Å; L156-L187 HydrophobicContact CD1-CD2 4.45Å; M183-L187 PolarHBondContact O-N 3.06Å; A184-L187 PolarHBondContact O-N 2.95Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 3.47Å; L187-K190 CarbonylContact O-C 3.51Å; L187-K190 WeakPolarHBondContact O-CA 3.32Å; L187-K190 WeakPolarHBondContact O-CB 3.2Å; L187-K190 PolarHBondContact O-N 2.9Å; L187-L191 HydrophobicContact CD1-CG 4.48Å; L187-L191 HydrophobicContact CG-CD1 4.42Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.77Å; L187-L208 HydrophobicContact CD1-CD2 4.19Å
188	G	98	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-53.4	-47.9	175.5	0	0	0	0	0	112.1	A184 K190 L191 L192 F249	A184-G188 PolarHBondContact O-N 2.95Å; G188-K190 VanDerWaalsContact C-N 3.26Å; G188-K190 PolarHBondContact O-N 2.99Å; G188-L191 PolarHBondContact O-N 2.83Å; G188-L191 VanDerWaalsContact O-N 3.11Å; G188-L192 WeakPolarHBondContact O-CG 3.37Å; G188-L192 PolarHBondContact O-N 3.09Å; G188-F249 VanDerWaalsContact C-CE1 3.47Å
189	Y	98	Very high	97.3	Very high	114 Å²	114	39.6 Å²	39.6	45%	0.447	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-26.3	175.9	-74.5	-55.7	0	0	0	114	K185 L187 L192 P193 I248 F249	K185-Y189 HydrophobicContact CD-CE2 4.29Å; K185-Y189 HydrophobicContact CG-CD2 4.16Å; K185-Y189 HydrophobicContact CG-CE2 3.75Å; K185-Y189 WeakPolarHBondContact O-CD2 3.12Å; K185-Y189 PolarHBondContact O-N 3.06Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 3.47Å; Y189-L192 HydrophobicContact CD1-CD1 3.96Å; Y189-L192 HydrophobicContact CE1-CD1 4.39Å; Y189-P193 WeakPolarHBondContact O-CD 2.98Å; Y189-I248 HydrophobicContact CE1-CG2 4.33Å; Y189-F249 AromaticContact CD1-CE1 3.91Å; Y189-F249 HydrophobicContact CD1-CE1 3.91Å; Y189-F249 AromaticContact CD1-CZ 3.9Å; Y189-F249 HydrophobicContact CD1-CZ 3.9Å; Y189-F249 HydrophobicContact CD2-CZ 4.14Å; Y189-F249 HydrophobicContact CE1-CE1 4.07Å; Y189-F249 AromaticContact CE1-CZ 3.72Å; Y189-F249 HydrophobicContact CE1-CZ 3.72Å; Y189-F249 AromaticContact CE2-CZ 4Å; Y189-F249 HydrophobicContact CE2-CZ 4Å; Y189-F249 HydrophobicContact CG-CE1 4.22Å; Y189-F249 HydrophobicContact CG-CZ 4.09Å; Y189-F249 AromaticContact CZ-CZ 3.76Å
190	K	96.5	Very high	97.2	Very high	43 Å²	43	37.7 Å²	37.7	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-76.7	-27.3	172.9	-77.4	162.6	166.6	-83.2	0	113	L137 D138 Q186 L187 G188 P193 I206 L208	L137-K190 HydrophobicContact CB-CD 4.4Å; L137-K190 WeakPolarHBondContact O-CD 3.22Å; L137-K190 WeakPolarHBondContact O-CE 3.32Å; L137-K190 PolarHBondContact O-NZ 3.39Å; D138-K190 IonicContact OD1-NZ 3.51Å; D138-K190 PolarHBondContact OD1-NZ 3.43Å; Q186-K190 WeakPolarHBondContact O-CG 3.4Å; Q186-K190 PolarHBondContact O-N 3.18Å; Q186-K190 VanDerWaalsContact O-N 3.15Å; L187-K190 CarbonylContact O-C 3.51Å; L187-K190 WeakPolarHBondContact O-CA 3.32Å; L187-K190 WeakPolarHBondContact O-CB 3.2Å; L187-K190 PolarHBondContact O-N 2.9Å; G188-K190 VanDerWaalsContact C-N 3.26Å; G188-K190 PolarHBondContact O-N 2.99Å; K190-P193 WeakPolarHBondContact O-CD 3.37Å; K190-I206 WeakPolarHBondContact O-CD1 3.42Å; K190-L208 PolarHBondContact NZ-O 3.47Å
191	L	97.7	Very high	97.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-83.2	-33.7	176	-63.6	-178	0	0	0	113.1	T148 N149 L187 G188 P193 A194 I206 F237	T148-L191 HydrophobicContact CG2-CD1 4.41Å; T148-L191 HydrophobicContact CG2-CD2 4.03Å; N149-L191 HydrophobicContact CB-CD1 4.47Å; L187-L191 HydrophobicContact CD1-CG 4.48Å; L187-L191 HydrophobicContact CG-CD1 4.42Å; L187-L191 WeakPolarHBondContact O-CG 3.29Å; L187-L191 PolarHBondContact O-N 2.77Å; G188-L191 PolarHBondContact O-N 2.83Å; G188-L191 VanDerWaalsContact O-N 3.11Å; L191-P193 VanDerWaalsContact C-N 3.31Å; L191-P193 WeakPolarHBondContact O-CD 3.48Å; L191-P193 VanDerWaalsContact O-N 3.08Å; L191-A194 VanDerWaalsContact O-CB 3.3Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 2.93Å; L191-I206 HydrophobicContact CD2-CG2 3.88Å; L191-F237 HydrophobicContact CB-CZ 4.13Å; L191-F237 HydrophobicContact CD1-CE1 4.25Å; L191-F237 HydrophobicContact CD1-CZ 4.32Å
192	L	97.3	Very high	97.2	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.099	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-47.1	-37.9	-179	-76.7	-170.4	0	0	0	116.1	G188 Y189 A194 F195 F237 I248 F249 Y252	G188-L192 WeakPolarHBondContact O-CG 3.37Å; G188-L192 PolarHBondContact O-N 3.09Å; Y189-L192 HydrophobicContact CD1-CD1 3.96Å; Y189-L192 HydrophobicContact CE1-CD1 4.39Å; L192-A194 PolarHBondContact O-N 2.83Å; L192-A194 VanDerWaalsContact O-N 3.12Å; L192-F195 PolarHBondContact O-N 2.7Å; L192-F195 VanDerWaalsContact O-N 3.14Å; L192-F237 HydrophobicContact CD2-CE2 4.1Å; L192-I248 HydrophobicContact CD1-CD1 3.88Å; L192-I248 HydrophobicContact CD1-CG1 3.94Å; L192-I248 HydrophobicContact CD1-CG2 4.29Å; L192-F249 HydrophobicContact CD1-CD1 4.03Å; L192-F249 HydrophobicContact CD1-CE1 3.84Å; L192-F249 HydrophobicContact CD2-CD1 3.89Å; L192-F249 HydrophobicContact CD2-CE1 4.44Å; L192-F249 HydrophobicContact CG-CD1 3.94Å; L192-F249 HydrophobicContact CG-CE1 3.99Å; L192-Y252 HydrophobicContact CD1-CD2 4.49Å; L192-Y252 HydrophobicContact CD1-CE2 4.49Å; L192-Y252 HydrophobicContact CD2-CD2 3.51Å; L192-Y252 HydrophobicContact CD2-CE2 4.15Å; L192-Y252 HydrophobicContact CD2-CG 4.02Å
193	P	96.5	Very high	97.1	Very high	48 Å²	48	33.1 Å²	33.1	31%	0.312	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-58.7	-22.9	177.5	-25.4	35.3	0	0	0	114.5	Y189 K190 L191 F195 N196 I206 I212	Y189-P193 WeakPolarHBondContact O-CD 2.98Å; K190-P193 WeakPolarHBondContact O-CD 3.37Å; L191-P193 VanDerWaalsContact C-N 3.31Å; L191-P193 WeakPolarHBondContact O-CD 3.48Å; L191-P193 VanDerWaalsContact O-N 3.08Å; P193-F195 PolarHBondContact O-N 3.44Å; P193-N196 VanDerWaalsContact O-CB 3.29Å; P193-N196 WeakPolarHBondContact O-CB 3.31Å; P193-N196 PolarHBondContact O-N 3.03Å; P193-I206 HydrophobicContact CB-CD1 3.99Å; P193-I206 HydrophobicContact CG-CD1 4.36Å; P193-I212 HydrophobicContact CB-CG1 4.37Å; P193-I212 WeakPolarHBondContact O-CD1 3.46Å
194	A	97.4	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-63.9	-28.5	177.3	0	0	0	0	0	112.8	V145 L191 L192 N196 P202 Y203 I206	V145-A194 HydrophobicContact CG1-CB 4.36Å; V145-A194 HydrophobicContact CG2-CB 3.73Å; L191-A194 VanDerWaalsContact O-CB 3.3Å; L191-A194 WeakPolarHBondContact O-CB 3.48Å; L191-A194 PolarHBondContact O-N 2.93Å; L192-A194 PolarHBondContact O-N 2.83Å; L192-A194 VanDerWaalsContact O-N 3.12Å; A194-N196 PolarHBondContact O-N 2.92Å; A194-P202 HydrophobicContact CB-CB 4.09Å; A194-P202 CarbonylContact O-C 3.55Å; A194-P202 VanDerWaalsContact O-CA 3.3Å; A194-P202 WeakPolarHBondContact O-CA 3.4Å; A194-Y203 VanDerWaalsContact O-CD2 3.28Å; A194-Y203 WeakPolarHBondContact O-CD2 3.39Å; A194-Y203 PolarHBondContact O-N 3.06Å; A194-I206 HydrophobicContact CB-CD1 4.05Å
195	F	97.3	Very high	96.8	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.022	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-76.8	0.8	179.3	-64.6	-103.9	0	0	0	113.4	L192 P193 T197 G200 P202 L233 F237 Y252 A256	L192-F195 PolarHBondContact O-N 2.7Å; L192-F195 VanDerWaalsContact O-N 3.14Å; P193-F195 PolarHBondContact O-N 3.44Å; F195-T197 PolarHBondContact O-N 3.4Å; F195-G200 WeakPolarHBondContact CD1-O 3.24Å; F195-P202 HydrophobicContact CD1-CB 4.37Å; F195-P202 HydrophobicContact CD2-CB 4.38Å; F195-P202 HydrophobicContact CE1-CB 4.42Å; F195-P202 HydrophobicContact CE1-CG 4.38Å; F195-P202 HydrophobicContact CE2-CB 4.41Å; F195-P202 HydrophobicContact CG-CB 4.37Å; F195-P202 HydrophobicContact CZ-CB 4.45Å; F195-L233 HydrophobicContact CE1-CD1 4.17Å; F195-L233 HydrophobicContact CZ-CD1 3.71Å; F195-F237 AromaticContact CE2-CE2 3.5Å; F195-F237 HydrophobicContact CE2-CE2 3.5Å; F195-F237 VanDerWaalsContact CE2-CE2 3.5Å; F195-F237 AromaticContact CE2-CZ 3.94Å; F195-F237 HydrophobicContact CE2-CZ 3.94Å; F195-F237 HydrophobicContact CZ-CD2 4.2Å; F195-F237 AromaticContact CZ-CE2 3.55Å; F195-F237 HydrophobicContact CZ-CE2 3.55Å; F195-F237 HydrophobicContact CZ-CZ 4.16Å; F195-Y252 HydrophobicContact CB-CD1 3.42Å; F195-Y252 VanDerWaalsContact CB-CD1 3.42Å; F195-Y252 HydrophobicContact CB-CE1 3.77Å; F195-Y252 HydrophobicContact CB-CG 4.24Å; F195-Y252 HydrophobicContact CD1-CD1 4Å; F195-Y252 HydrophobicContact CD1-CG 4.34Å; F195-Y252 AromaticContact CG-CD1 3.8Å; F195-Y252 HydrophobicContact CG-CD1 3.8Å; F195-Y252 HydrophobicContact CG-CG 4.2Å; F195-A256 HydrophobicContact CE1-CB 4.35Å
196	N	93.8	Very high	96.7	Very high	78 Å²	78	33.2 Å²	33.2	42%	0.417	17%	0.172	S	C	.	.			trans	-80.9	61.7	178.5	-173.8	96.3	0	0	0	111.4	P193 A194 I212 R213	P193-N196 VanDerWaalsContact O-CB 3.29Å; P193-N196 WeakPolarHBondContact O-CB 3.31Å; P193-N196 PolarHBondContact O-N 3.03Å; A194-N196 PolarHBondContact O-N 2.92Å; N196-I212 HydrophobicContact CB-CD1 4.25Å; N196-R213 PolarHBondContact OD1-NH2 2.65Å
197	T	95.4	Very high	96.7	Very high	24 Å²	24	27.9 Å²	27.9	15%	0.147	15%	0.147	C	C	.	.	S	Bend	trans	-114.1	177.9	173.4	64.3	0	0	0	0	110.2	F195 S199 G200 L201 Y203 I277	F195-T197 PolarHBondContact O-N 3.4Å; T197-S199 VanDerWaalsContact C-N 3.33Å; T197-S199 PolarHBondContact OG1-OG 3.37Å; T197-G200 PolarHBondContact OG1-N 2.92Å; T197-L201 WeakPolarHBondContact CB-O 3.46Å; T197-L201 WeakPolarHBondContact CG2-O 3.3Å; T197-L201 PolarHBondContact OG1-N 3.12Å; T197-L201 PolarHBondContact OG1-O 2.97Å; T197-Y203 HydrophobicContact CG2-CD2 3.68Å; T197-Y203 HydrophobicContact CG2-CE2 3.5Å; T197-Y203 VanDerWaalsContact CG2-CE2 3.5Å; T197-Y203 HydrophobicContact CG2-CG 4.31Å; T197-I277 WeakPolarHBondContact CB-O 3.25Å; T197-I277 HydrophobicContact CG2-CB 4.06Å; T197-I277 HydrophobicContact CG2-CD1 3.69Å; T197-I277 HydrophobicContact CG2-CG1 3.73Å; T197-I277 PolarHBondContact OG1-O 2.88Å
198	T	94.5	Very high	96.5	Very high	111 Å²	111	28 Å²	28	68%	0.681	15%	0.147	S	C	*	.	S	Bend	trans	-72.6	-28.4	177.2	-38.6	0	0	0	0	112.2	H278	T198-H278 WeakPolarHBondContact CB-O 3.19Å; T198-H278 PolarHBondContact OG1-ND1 2.69Å
199	S	95.9	Very high	96.3	Very high	17 Å²	17	32.1 Å²	32.1	12%	0.119	17%	0.165	C	C	.	.	S	Bend	trans	-89.6	-23.9	179	59.8	0	0	0	0	114.2	T197 L201 F259 I277	T197-S199 VanDerWaalsContact C-N 3.33Å; T197-S199 PolarHBondContact OG1-OG 3.37Å; S199-L201 VanDerWaalsContact C-N 3.28Å; S199-L201 VanDerWaalsContact OG-CB 3.29Å; S199-L201 WeakPolarHBondContact OG-CB 3.47Å; S199-L201 WeakPolarHBondContact OG-CG 3.45Å; S199-L201 PolarHBondContact OG-N 3.44Å; S199-F259 VanDerWaalsContact CB-CE1 3.47Å; S199-F259 VanDerWaalsContact CB-CE2 3.49Å; S199-I277 WeakPolarHBondContact CB-O 3.41Å; S199-I277 PolarHBondContact N-O 3.16Å; S199-I277 PolarHBondContact OG-O 3.31Å
200	G	95.9	Very high	96.1	Very high	16 Å²	16	29.2 Å²	29.2	17%	0.165	16%	0.155	C	C	.	.	S	Bend	trans	83.9	-4.9	-164.4	0	0	0	0	0	114.1	F195 T197	F195-G200 WeakPolarHBondContact CD1-O 3.24Å; T197-G200 PolarHBondContact OG1-N 2.92Å
201	L	98.1	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-66.1	141.2	166.6	-58.7	177.3	0	0	0	109.5	T197 S199 A230 A256 F259 L260 I275 I277	T197-L201 WeakPolarHBondContact CB-O 3.46Å; T197-L201 WeakPolarHBondContact CG2-O 3.3Å; T197-L201 PolarHBondContact OG1-N 3.12Å; T197-L201 PolarHBondContact OG1-O 2.97Å; S199-L201 VanDerWaalsContact C-N 3.28Å; S199-L201 VanDerWaalsContact OG-CB 3.29Å; S199-L201 WeakPolarHBondContact OG-CB 3.47Å; S199-L201 WeakPolarHBondContact OG-CG 3.45Å; S199-L201 PolarHBondContact OG-N 3.44Å; L201-A230 HydrophobicContact CB-CB 4.47Å; L201-A230 HydrophobicContact CD2-CB 4.02Å; L201-A256 HydrophobicContact CD2-CB 4.11Å; L201-A256 WeakPolarHBondContact CD2-O 3.36Å; L201-F259 HydrophobicContact CD1-CD1 3.67Å; L201-F259 HydrophobicContact CD1-CE1 3.77Å; L201-F259 HydrophobicContact CD2-CB 4.26Å; L201-F259 HydrophobicContact CD2-CD1 3.93Å; L201-F259 HydrophobicContact CD2-CG 4.47Å; L201-F259 HydrophobicContact CG-CD1 3.7Å; L201-F259 HydrophobicContact CG-CE1 4.16Å; L201-F259 HydrophobicContact CG-CG 4.41Å; L201-L260 HydrophobicContact CD1-CD2 4.43Å; L201-L260 HydrophobicContact CD2-CD2 4.02Å; L201-L260 HydrophobicContact CD2-CG 3.82Å; L201-I275 HydrophobicContact CD1-CD1 4.08Å; L201-I275 HydrophobicContact CD1-CG1 4.27Å; L201-I275 HydrophobicContact CD1-CG2 3.78Å; L201-I277 HydrophobicContact CB-CB 4.3Å; L201-I277 HydrophobicContact CB-CG2 4.19Å
202	P	97.8	Very high	95.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-71.8	144.7	180	29.4	-35.1	0	0	0	112.5	V145 A194 F195 A230 L233	V145-P202 HydrophobicContact CG1-CB 4.37Å; A194-P202 HydrophobicContact CB-CB 4.09Å; A194-P202 CarbonylContact O-C 3.55Å; A194-P202 VanDerWaalsContact O-CA 3.3Å; A194-P202 WeakPolarHBondContact O-CA 3.4Å; F195-P202 HydrophobicContact CD1-CB 4.37Å; F195-P202 HydrophobicContact CD2-CB 4.38Å; F195-P202 HydrophobicContact CE1-CB 4.42Å; F195-P202 HydrophobicContact CE1-CG 4.38Å; F195-P202 HydrophobicContact CE2-CB 4.41Å; F195-P202 HydrophobicContact CG-CB 4.37Å; F195-P202 HydrophobicContact CZ-CB 4.45Å; P202-A230 HydrophobicContact CG-CB 4.18Å; P202-L233 HydrophobicContact CG-CD1 3.78Å
203	Y	97.5	Very high	94.8	Very high	23 Å²	23	37 Å²	37	9%	0.09	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-52	140.4	156.9	-74.5	-84.3	0	0	0	109.3	V145 A194 T197 R205 I212 E222 I277 H278	V145-Y203 WeakPolarHBondContact CG2-O 3.37Å; A194-Y203 VanDerWaalsContact O-CD2 3.28Å; A194-Y203 WeakPolarHBondContact O-CD2 3.39Å; A194-Y203 PolarHBondContact O-N 3.06Å; T197-Y203 HydrophobicContact CG2-CD2 3.68Å; T197-Y203 HydrophobicContact CG2-CE2 3.5Å; T197-Y203 VanDerWaalsContact CG2-CE2 3.5Å; T197-Y203 HydrophobicContact CG2-CG 4.31Å; Y203-R205 PolarHBondContact O-N 3.02Å; Y203-R205 VanDerWaalsContact O-N 3.16Å; Y203-I212 HydrophobicContact CD2-CD1 3.54Å; Y203-I212 HydrophobicContact CD2-CG2 4.35Å; Y203-I212 HydrophobicContact CE2-CD1 3.34Å; Y203-E222 WeakPolarHBondContact CD1-O 3.48Å; Y203-E222 VanDerWaalsContact CE1-O 3.28Å; Y203-E222 WeakPolarHBondContact CE1-O 3.41Å; Y203-I277 HydrophobicContact CD1-CD1 3.41Å; Y203-I277 VanDerWaalsContact CD1-CD1 3.41Å; Y203-I277 HydrophobicContact CD2-CD1 4.46Å; Y203-I277 HydrophobicContact CE1-CD1 3.59Å; Y203-I277 HydrophobicContact CG-CD1 3.87Å; Y203-H278 AromaticContact CZ-NE2 3.96Å; Y203-H278 PolarHBondContact OH-CE1 2.87Å; Y203-H278 PolarHBondContact OH-NE2 2.9Å
204	P	95.7	Very high	93.9	Very high	22 Å²	22	39.8 Å²	39.8	14%	0.143	20%	0.195	C	C	.	.	S	Bend	trans	-65.3	-19.9	179.8	28.5	-37	0	0	0	112.8	S144 V145 E222 D224	S144-P204 WeakPolarHBondContact CA-O 3.46Å; V145-P204 PolarHBondContact N-O 2.97Å; P204-E222 HydrophobicContact CG-CB 3.91Å; P204-E222 HydrophobicContact CG-CG 4.25Å; P204-D224 WeakPolarHBondContact CG-O 3.41Å
205	R	95.8	Very high	93.2	Very high	63 Å²	63	45.4 Å²	45.4	24%	0.238	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.3	-172.9	-74.1	176.1	173.1	108.8	3.2	112	D96 D99 V142 V143 Y203 T219 E222	D96-R205 IonicContact OD1-CZ 3.31Å; D96-R205 IonicContact OD1-NH2 2.86Å; D96-R205 PolarHBondContact OD1-NH2 2.88Å; D99-R205 IonicContact OD2-CZ 2.67Å; D99-R205 IonicContact OD2-NE 3.61Å; D99-R205 PolarHBondContact OD2-NE 3.45Å; D99-R205 IonicContact OD2-NH2 3.55Å; D99-R205 PolarHBondContact OD2-NH2 2.89Å; V142-R205 HydrophobicContact CG1-CB 3.9Å; V142-R205 HydrophobicContact CG1-CG 4.24Å; V143-R205 CarbonylContact O-C 3.59Å; V143-R205 VanDerWaalsContact O-CA 3.27Å; V143-R205 WeakPolarHBondContact O-CA 3.39Å; Y203-R205 PolarHBondContact O-N 3.02Å; Y203-R205 VanDerWaalsContact O-N 3.16Å; R205-T219 WeakPolarHBondContact CB-OG1 3.16Å; R205-E222 WeakPolarHBondContact CD-OE1 3.46Å
206	I	96.4	Very high	92.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	148.4	174.6	-169.1	153.4	0	0	0	111.1	V142 V143 V145 K190 L191 P193 A194 I212	V142-I206 WeakPolarHBondContact CA-O 3.38Å; V143-I206 HydrophobicContact CG2-CG2 4.03Å; V143-I206 PolarHBondContact N-O 2.92Å; V143-I206 PolarHBondContact O-N 3.46Å; V145-I206 HydrophobicContact CG2-CB 3.94Å; V145-I206 HydrophobicContact CG2-CG2 3.65Å; K190-I206 WeakPolarHBondContact O-CD1 3.42Å; L191-I206 HydrophobicContact CD2-CG2 3.88Å; P193-I206 HydrophobicContact CB-CD1 3.99Å; P193-I206 HydrophobicContact CG-CD1 4.36Å; A194-I206 HydrophobicContact CB-CD1 4.05Å; I206-I212 HydrophobicContact CB-CG2 4.41Å; I206-I212 HydrophobicContact CD1-CG2 4.15Å; I206-I212 HydrophobicContact CG1-CG2 4Å
207	N	96.7	Very high	92.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.9	170.3	-174.1	-60.2	0	0	0	110.1	D140 V141 V142 K209 F210 G211 A217 T219	D140-N207 PolarHBondContact OD1-ND2 2.72Å; V141-N207 WeakPolarHBondContact O-CA 3.45Å; V142-N207 HydrophobicContact CG2-CB 4.36Å; N207-K209 PolarHBondContact O-N 3.31Å; N207-K209 VanDerWaalsContact O-N 3.12Å; N207-K209 PolarHBondContact OD1-N 3.11Å; N207-F210 HydrophobicContact CB-CB 4.16Å; N207-F210 PolarHBondContact O-N 3Å; N207-F210 PolarHBondContact OD1-N 3.42Å; N207-G211 WeakPolarHBondContact CB-O 3.16Å; N207-G211 PolarHBondContact N-O 3.08Å; N207-G211 WeakPolarHBondContact O-CA 3.46Å; N207-G211 PolarHBondContact O-N 2.91Å; N207-A217 HydrophobicContact CB-CB 3.88Å; N207-A217 WeakPolarHBondContact CB-O 3.41Å; N207-A217 PolarHBondContact ND2-O 3Å; N207-T219 HydrophobicContact CB-CG2 4.28Å
208	L	94.3	Very high	92.1	Very high	3 Å²	3	52 Å²	52	2%	0.016	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.5	-175.1	-71.7	178.7	0	0	0	113.7	F104 V141 V143 L187 K190	F104-L208 HydrophobicContact CD1-CD1 4.02Å; F104-L208 HydrophobicContact CE1-CD1 4.12Å; V141-L208 HydrophobicContact CG1-CD1 3.93Å; V141-L208 HydrophobicContact CG1-CG 4.42Å; V141-L208 PolarHBondContact O-N 2.96Å; V143-L208 HydrophobicContact CG1-CD1 4.07Å; V143-L208 HydrophobicContact CG1-CG 4.22Å; V143-L208 HydrophobicContact CG2-CD1 4.41Å; V143-L208 HydrophobicContact CG2-CD2 3.79Å; V143-L208 HydrophobicContact CG2-CG 3.82Å; L187-L208 HydrophobicContact CD1-CD2 4.19Å; K190-L208 PolarHBondContact NZ-O 3.47Å
209	K	93.9	Very high	91.9	Very high	87 Å²	87	47.1 Å²	47.1	38%	0.378	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-33.1	179.9	-168.5	179	-156.7	69.8	0	113.7	D138 N139 D140 N207	D138-K209 PolarHBondContact O-NZ 2.59Å; D138-K209 IonicContact OD2-NZ 3.91Å; D138-K209 PolarHBondContact OD2-NZ 3.38Å; N139-K209 WeakPolarHBondContact O-CB 3.44Å; N139-K209 PolarHBondContact O-N 3.25Å; D140-K209 HydrophobicContact CB-CD 4.07Å; N207-K209 PolarHBondContact O-N 3.31Å; N207-K209 VanDerWaalsContact O-N 3.12Å; N207-K209 PolarHBondContact OD1-N 3.11Å
210	F	94.4	Very high	91.5	Very high	53 Å²	53	47.2 Å²	47.2	23%	0.232	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-8.4	-169.9	-62.5	-49.3	0	0	0	115.1	D140 N207 K214 E216 A217	D140-F210 HydrophobicContact CB-CE2 4.18Å; D140-F210 VanDerWaalsContact CG-CE2 3.49Å; D140-F210 WeakPolarHBondContact OD1-CD2 3.46Å; D140-F210 WeakPolarHBondContact OD1-CE2 3.43Å; N207-F210 HydrophobicContact CB-CB 4.16Å; N207-F210 PolarHBondContact O-N 3Å; N207-F210 PolarHBondContact OD1-N 3.42Å; F210-K214 HydrophobicContact CB-CB 4.26Å; F210-K214 HydrophobicContact CB-CD 4.1Å; F210-K214 HydrophobicContact CD1-CD 3.9Å; F210-K214 HydrophobicContact CG-CD 4.37Å; F210-E216 HydrophobicContact CD1-CB 4.46Å; F210-E216 HydrophobicContact CD2-CB 3.68Å; F210-E216 WeakPolarHBondContact CD2-O 3.18Å; F210-E216 HydrophobicContact CE1-CB 4.46Å; F210-E216 HydrophobicContact CE2-CB 3.67Å; F210-E216 HydrophobicContact CG-CB 4.1Å; F210-E216 HydrophobicContact CZ-CB 4.08Å; F210-A217 HydrophobicContact CB-CB 3.93Å
211	G	93.9	Very high	91.2	Very high	14 Å²	14	52.5 Å²	52.5	14%	0.144	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	69.8	-132	-176.4	0	0	0	0	0	111.7	N207 A217	N207-G211 WeakPolarHBondContact CB-O 3.16Å; N207-G211 PolarHBondContact N-O 3.08Å; N207-G211 WeakPolarHBondContact O-CA 3.46Å; N207-G211 PolarHBondContact O-N 2.91Å; G211-A217 WeakPolarHBondContact O-CB 3.25Å
212	I	90.6	Very high	90.9	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.097	26%	0.263	C	S	.	.	S	Bend	trans	-123	-13.2	178	61.7	158.6	0	0	0	114.3	P193 N196 Y203 I206	P193-I212 HydrophobicContact CB-CG1 4.37Å; P193-I212 WeakPolarHBondContact O-CD1 3.46Å; N196-I212 HydrophobicContact CB-CD1 4.25Å; Y203-I212 HydrophobicContact CD2-CD1 3.54Å; Y203-I212 HydrophobicContact CD2-CG2 4.35Å; Y203-I212 HydrophobicContact CE2-CD1 3.34Å; I206-I212 HydrophobicContact CB-CG2 4.41Å; I206-I212 HydrophobicContact CD1-CG2 4.15Å; I206-I212 HydrophobicContact CG1-CG2 4Å
213	R	78.4	Confident	90.7	Very high	193 Å²	193	57.6 Å²	57.6	73%	0.728	28%	0.283	S	S	*	.	S	Bend	trans	-94.8	1.7	-168.1	-66.2	-169	-179.2	173.2	-0.7	114.8	N196	N196-R213 PolarHBondContact OD1-NH2 2.65Å
214	K	78.9	Confident	90.6	Very high	106 Å²	106	59 Å²	59	46%	0.461	29%	0.293	S	S	.	.	S	Bend	trans	-113	138	-173	-74.5	-174	178.6	179.1	0	110.2	F210 E216 A217	F210-K214 HydrophobicContact CB-CB 4.26Å; F210-K214 HydrophobicContact CB-CD 4.1Å; F210-K214 HydrophobicContact CD1-CD 3.9Å; F210-K214 HydrophobicContact CG-CD 4.37Å; K214-E216 WeakPolarHBondContact CB-OE2 3.14Å; K214-E216 PolarHBondContact O-N 3.46Å; K214-E216 VanDerWaalsContact O-N 3.13Å; K214-A217 WeakPolarHBondContact O-CB 3.46Å; K214-A217 PolarHBondContact O-N 3.3Å
215	P	81.5	Confident	90.7	Very high	118 Å²	118	58.2 Å²	58.2	77%	0.766	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-53.6	-33.3	173.8	-26.5	35.6	0	0	0	113.2	A217	P215-A217 PolarHBondContact O-N 3.06Å
216	E	86.1	Confident	90.7	Very high	104 Å²	104	56.3 Å²	56.3	49%	0.486	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-68.6	-16.3	177.7	-57.4	80.3	-176.9	0	0	113.7	F210 K214 R218	F210-E216 HydrophobicContact CD1-CB 4.46Å; F210-E216 HydrophobicContact CD2-CB 3.68Å; F210-E216 WeakPolarHBondContact CD2-O 3.18Å; F210-E216 HydrophobicContact CE1-CB 4.46Å; F210-E216 HydrophobicContact CE2-CB 3.67Å; F210-E216 HydrophobicContact CG-CB 4.1Å; F210-E216 HydrophobicContact CZ-CB 4.08Å; K214-E216 WeakPolarHBondContact CB-OE2 3.14Å; K214-E216 PolarHBondContact O-N 3.46Å; K214-E216 VanDerWaalsContact O-N 3.13Å; E216-R218 PolarHBondContact O-NH1 3.06Å
217	A	86.8	Confident	90.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.1	-37.7	-179.5	0	0	0	0	0	112.7	V142 N207 F210 G211 K214 P215 T219	V142-A217 WeakPolarHBondContact CG2-O 3.18Å; N207-A217 HydrophobicContact CB-CB 3.88Å; N207-A217 WeakPolarHBondContact CB-O 3.41Å; N207-A217 PolarHBondContact ND2-O 3Å; F210-A217 HydrophobicContact CB-CB 3.93Å; G211-A217 WeakPolarHBondContact O-CB 3.25Å; K214-A217 WeakPolarHBondContact O-CB 3.46Å; K214-A217 PolarHBondContact O-N 3.3Å; P215-A217 PolarHBondContact O-N 3.06Å; A217-T219 VanDerWaalsContact C-N 3.27Å; A217-T219 HydrophobicContact CB-CG2 4.31Å; A217-T219 PolarHBondContact O-N 3.11Å
218	R	90.4	Very high	90.8	Very high	141 Å²	141	56.3 Å²	56.3	53%	0.532	28%	0.283	S	S	.	.			trans	63.4	28.7	-178.6	-49	166.6	-58.3	-101.9	10.1	113.7	D140 V142 E216	D140-R218 VanDerWaalsContact CG-NH2 3.31Å; D140-R218 IonicContact OD1-CZ 3.27Å; D140-R218 VanDerWaalsContact OD1-CZ 3.3Å; D140-R218 IonicContact OD1-NH1 3.61Å; D140-R218 PolarHBondContact OD1-NH1 2.96Å; D140-R218 IonicContact OD1-NH2 2.7Å; D140-R218 PolarHBondContact OD1-NH2 2.96Å; D140-R218 IonicContact OD2-CZ 3.61Å; D140-R218 IonicContact OD2-NH1 2.76Å; D140-R218 PolarHBondContact OD2-NH1 3.05Å; D140-R218 IonicContact OD2-NH2 3.41Å; D140-R218 PolarHBondContact OD2-NH2 2.74Å; V142-R218 HydrophobicContact CG2-CB 4.46Å; E216-R218 PolarHBondContact O-NH1 3.06Å
219	T	91.4	Very high	91	Very high	9 Å²	9	57.4 Å²	57.4	6%	0.055	29%	0.291	C	S	.	.			trans	-161.6	169.2	177.9	-177.5	0	0	0	0	108.1	V142 R205 N207 A217 E222	V142-T219 HydrophobicContact CG1-CG2 4.04Å; V142-T219 HydrophobicContact CG2-CG2 4.15Å; R205-T219 WeakPolarHBondContact CB-OG1 3.16Å; N207-T219 HydrophobicContact CB-CG2 4.28Å; A217-T219 VanDerWaalsContact C-N 3.27Å; A217-T219 HydrophobicContact CB-CG2 4.31Å; A217-T219 PolarHBondContact O-N 3.11Å; T219-E222 WeakPolarHBondContact CB-OE1 3.39Å; T219-E222 VanDerWaalsContact OG1-CD 3.27Å; T219-E222 PolarHBondContact OG1-OE1 3.18Å; T219-E222 PolarHBondContact OG1-OE2 2.89Å
220	G	86.9	Confident	91.1	Very high	18 Å²	18	53.3 Å²	53.3	19%	0.186	27%	0.273	C	S	.	.	S	Bend	trans	100.1	14.8	-170.5	0	0	0	0	0	113.7	E222	G220-E222 PolarHBondContact N-OE2 3.05Å
221	T	89.4	Confident	91.3	Very high	127 Å²	127	50.8 Å²	50.8	78%	0.779	26%	0.263	S	S	*	.			trans	-118.9	-7.3	176.6	55.1	0	0	0	0	112.8
222	E	91.8	Very high	91.5	Very high	39 Å²	39	50.1 Å²	50.1	18%	0.182	26%	0.256	C	S	.	.			trans	-66.1	124.4	174.5	-60.1	89.1	147.4	0	0	109.4	Y203 P204 R205 T219 G220 I277	Y203-E222 WeakPolarHBondContact CD1-O 3.48Å; Y203-E222 VanDerWaalsContact CE1-O 3.28Å; Y203-E222 WeakPolarHBondContact CE1-O 3.41Å; P204-E222 HydrophobicContact CG-CB 3.91Å; P204-E222 HydrophobicContact CG-CG 4.25Å; R205-E222 WeakPolarHBondContact CD-OE1 3.46Å; T219-E222 WeakPolarHBondContact CB-OE1 3.39Å; T219-E222 VanDerWaalsContact OG1-CD 3.27Å; T219-E222 PolarHBondContact OG1-OE1 3.18Å; T219-E222 PolarHBondContact OG1-OE2 2.89Å; G220-E222 PolarHBondContact N-OE2 3.05Å; E222-I277 VanDerWaalsContact O-CD1 3.22Å; E222-I277 WeakPolarHBondContact O-CD1 3.3Å
223	T	94.8	Very high	91.9	Very high	70 Å²	70	49.3 Å²	49.3	43%	0.429	25%	0.251	S	S	.	.			trans	-91.7	-14.1	-176.6	59.1	0	0	0	0	113.7	N276 I277	T223-N276 WeakPolarHBondContact CB-ND2 3.32Å; T223-N276 CarbonylContact O-C 3.52Å; T223-N276 WeakPolarHBondContact O-CA 3.4Å; T223-N276 PolarHBondContact O-ND2 3.5Å; T223-N276 VanDerWaalsContact O-ND2 3.11Å; T223-I277 WeakPolarHBondContact O-CG1 3.22Å; T223-I277 PolarHBondContact O-N 3.1Å
224	D	95.3	Very high	92.8	Very high	53 Å²	53	40.1 Å²	40.1	28%	0.283	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.5	-164.2	-52.8	-16	0	0	0	110.9	P204 T274 I275 N276	P204-D224 WeakPolarHBondContact CG-O 3.41Å; D224-T274 HydrophobicContact CB-CG2 4.02Å; D224-I275 CarbonylContact C-O 3.54Å; D224-I275 WeakPolarHBondContact CA-O 3.49Å; D224-N276 PolarHBondContact OD1-ND2 3Å
225	T	96.4	Very high	93.7	Very high	4 Å²	4	35 Å²	35	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.7	177	-161.9	0	0	0	0	110.9	C229 A230 T274 I275 I277	T225-C229 WeakPolarHBondContact OG1-CB 3.44Å; T225-A230 HydrophobicContact CG2-CB 3.89Å; T225-T274 WeakPolarHBondContact O-CA 3.23Å; T225-T274 VanDerWaalsContact O-CG2 3.31Å; T225-T274 WeakPolarHBondContact O-CG2 3.41Å; T225-I275 HydrophobicContact CG2-CG2 3.93Å; T225-I275 PolarHBondContact N-O 3.04Å; T225-I275 PolarHBondContact O-N 3.16Å; T225-I277 HydrophobicContact CG2-CG2 3.45Å; T225-I277 VanDerWaalsContact CG2-CG2 3.45Å
226	C	96.2	Very high	94.6	Very high	24 Å²	24	29.4 Å²	29.4	16%	0.162	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	159.5	175.4	86.9	0	0	0	0	112.3	C229 A230 V273	C226-C229 HydrophobicContact CB-CB 3.99Å; C226-C229 WeakPolarHBondContact CB-SG 3.5Å; C226-C229 VanDerWaalsContact O-CB 3.26Å; C226-C229 WeakPolarHBondContact O-CB 3.36Å; C226-C229 PolarHBondContact O-N 3Å; C226-C229 VanDerWaalsContact O-N 3.14Å; C226-C229 WeakPolarHBondContact SG-CB 3.38Å; C226-C229 PolarHBondContact SG-N 3.15Å; C226-C229 CovalentContact SG-SG 2.04Å; C226-C229 PolarHBondContact SG-SG 2.96Å; C226-A230 PolarHBondContact O-N 3.13Å; C226-A230 VanDerWaalsContact O-N 3.14Å; C226-V273 VanDerWaalsContact CA-O 3.3Å; C226-V273 WeakPolarHBondContact CA-O 3.47Å; C226-V273 WeakPolarHBondContact CB-O 3.39Å
227	T	98.3	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-42.9	-175.2	-63.9	0	0	0	0	111.9	C229 A230 G231 L260 V271 G272 V273 W282 G292 I293 Y296	T227-C229 VanDerWaalsContact C-N 3.33Å; T227-C229 PolarHBondContact O-N 2.9Å; T227-A230 PolarHBondContact O-N 2.82Å; T227-G231 PolarHBondContact O-N 3.45Å; T227-L260 HydrophobicContact CG2-CD1 4.48Å; T227-L260 HydrophobicContact CG2-CD2 4.47Å; T227-V271 HydrophobicContact CG2-CB 4.42Å; T227-V271 HydrophobicContact CG2-CG2 4.04Å; T227-G272 PolarHBondContact OG1-O 2.68Å; T227-V273 PolarHBondContact N-O 3.14Å; T227-W282 WeakPolarHBondContact OG1-CZ3 3.41Å; T227-G292 PolarHBondContact N-O 2.89Å; T227-G292 VanDerWaalsContact N-O 3.14Å; T227-I293 HydrophobicContact CG2-CG2 4.15Å; T227-Y296 HydrophobicContact CG2-CD1 3.84Å; T227-Y296 HydrophobicContact CG2-CD2 4.36Å; T227-Y296 HydrophobicContact CG2-CE1 4.39Å; T227-Y296 HydrophobicContact CG2-CG 3.82Å
228	A	97.8	Very high	95.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-57.3	-46.3	167.1	0	0	0	0	0	111.5	F146 A230 G231 T232 G292 D294 S295	F146-A228 HydrophobicContact CE2-CB 4.16Å; A228-A230 PolarHBondContact O-N 3.47Å; A228-G231 PolarHBondContact O-N 2.91Å; A228-G231 VanDerWaalsContact O-N 3.14Å; A228-T232 VanDerWaalsContact O-CB 3.26Å; A228-T232 WeakPolarHBondContact O-CB 3.47Å; A228-T232 PolarHBondContact O-N 2.88Å; A228-T232 PolarHBondContact O-OG1 3.31Å; A228-G292 PolarHBondContact N-O 3.09Å; A228-D294 VanDerWaalsContact CB-OD1 3.3Å; A228-D294 WeakPolarHBondContact CB-OD1 3.29Å; A228-S295 WeakPolarHBondContact CB-OG 3.3Å
229	C	97	Very high	96	Very high	25 Å²	25	17.8 Å²	17.8	17%	0.169	11%	0.11	C	C	.	.	H	α-helix	trans	-56.8	-29.4	-177.1	-56.6	0	0	0	0	113.8	F146 T225 C226 T227	F146-C229 HydrophobicContact CB-CB 4.32Å; T225-C229 WeakPolarHBondContact OG1-CB 3.44Å; C226-C229 HydrophobicContact CB-CB 3.99Å; C226-C229 WeakPolarHBondContact CB-SG 3.5Å; C226-C229 VanDerWaalsContact O-CB 3.26Å; C226-C229 WeakPolarHBondContact O-CB 3.36Å; C226-C229 PolarHBondContact O-N 3Å; C226-C229 VanDerWaalsContact O-N 3.14Å; C226-C229 WeakPolarHBondContact SG-CB 3.38Å; C226-C229 PolarHBondContact SG-N 3.15Å; C226-C229 CovalentContact SG-SG 2.04Å; C226-C229 PolarHBondContact SG-SG 2.96Å; T227-C229 VanDerWaalsContact C-N 3.33Å; T227-C229 PolarHBondContact O-N 2.9Å
230	A	97.4	Very high	96.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-103.2	-22.5	178.6	0	0	0	0	0	114.3	L201 P202 T225 C226 T227 A228 L260	L201-A230 HydrophobicContact CB-CB 4.47Å; L201-A230 HydrophobicContact CD2-CB 4.02Å; P202-A230 HydrophobicContact CG-CB 4.18Å; T225-A230 HydrophobicContact CG2-CB 3.89Å; C226-A230 PolarHBondContact O-N 3.13Å; C226-A230 VanDerWaalsContact O-N 3.14Å; T227-A230 PolarHBondContact O-N 2.82Å; A228-A230 PolarHBondContact O-N 3.47Å; A230-L260 HydrophobicContact CB-CD1 4.17Å
231	G	97.4	Very high	96.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-91	-35.3	-178.7	0	0	0	0	0	114.7	T227 A228 L233	T227-G231 PolarHBondContact O-N 3.45Å; A228-G231 PolarHBondContact O-N 2.91Å; A228-G231 VanDerWaalsContact O-N 3.14Å; G231-L233 PolarHBondContact O-N 3.09Å
232	T	98.6	Very high	97.2	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	55.6	-168.7	-47.6	0	0	0	0	111.8	F146 N149 I150 A228 S295 Y296 Y299 T492	F146-T232 HydrophobicContact CE2-CG2 3.94Å; N149-T232 PolarHBondContact ND2-O 3.3Å; N149-T232 VanDerWaalsContact ND2-O 3.14Å; I150-T232 HydrophobicContact CG2-CG2 3.91Å; A228-T232 VanDerWaalsContact O-CB 3.26Å; A228-T232 WeakPolarHBondContact O-CB 3.47Å; A228-T232 PolarHBondContact O-N 2.88Å; A228-T232 PolarHBondContact O-OG1 3.31Å; T232-S295 WeakPolarHBondContact CG2-OG 3.48Å; T232-S295 VanDerWaalsContact OG1-C 3.25Å; T232-S295 WeakPolarHBondContact OG1-CB 3.45Å; T232-S295 PolarHBondContact OG1-O 3.25Å; T232-S295 PolarHBondContact OG1-OG 2.82Å; T232-Y296 PolarHBondContact OG1-N 3.41Å; T232-Y299 VanDerWaalsContact CA-CD2 3.48Å; T232-Y299 HydrophobicContact CG2-CD1 3.87Å; T232-Y299 HydrophobicContact CG2-CD2 3.78Å; T232-Y299 HydrophobicContact CG2-CE1 3.63Å; T232-Y299 HydrophobicContact CG2-CE2 3.51Å; T232-Y299 HydrophobicContact CG2-CG 3.96Å; T232-Y299 VanDerWaalsContact CG2-CZ 3.43Å; T232-T492 HydrophobicContact CG2-CG2 3.86Å
233	L	98.5	Very high	97.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-17.5	-175.4	-58.5	171.8	0	0	0	113.1	N149 F195 P202 G231 L235 F237 A253	N149-L233 HydrophobicContact CB-CD2 3.43Å; N149-L233 VanDerWaalsContact CB-CD2 3.43Å; N149-L233 VanDerWaalsContact CG-CD2 3.44Å; F195-L233 HydrophobicContact CE1-CD1 4.17Å; F195-L233 HydrophobicContact CZ-CD1 3.71Å; P202-L233 HydrophobicContact CG-CD1 3.78Å; G231-L233 PolarHBondContact O-N 3.09Å; L233-L235 PolarHBondContact O-N 3.27Å; L233-F237 VanDerWaalsContact O-CB 3.25Å; L233-F237 WeakPolarHBondContact O-CB 3.29Å; L233-F237 PolarHBondContact O-N 3.47Å; L233-F237 VanDerWaalsContact O-N 3.13Å; L233-A253 HydrophobicContact CB-CB 4.17Å
234	I	98.3	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.9	-33.9	-169.2	-173.2	60.6	0	0	0	113.9	A238 E250 A253 R254 L257 Y299 A303 L307 F312	I234-A238 HydrophobicContact CD1-CB 4.43Å; I234-A238 WeakPolarHBondContact O-CB 3.48Å; I234-A238 PolarHBondContact O-N 3.08Å; I234-E250 HydrophobicContact CD1-CG 4.02Å; I234-A253 HydrophobicContact CB-CB 4.27Å; I234-A253 HydrophobicContact CD1-CB 3.93Å; I234-R254 HydrophobicContact CD1-CB 4.3Å; I234-L257 HydrophobicContact CB-CD1 3.63Å; I234-L257 HydrophobicContact CG1-CD1 4.08Å; I234-L257 HydrophobicContact CG2-CD1 3.57Å; I234-Y299 HydrophobicContact CG2-CD2 3.94Å; I234-Y299 HydrophobicContact CG2-CG 4.45Å; I234-A303 HydrophobicContact CG1-CB 4.39Å; I234-A303 HydrophobicContact CG2-CB 3.9Å; I234-L307 HydrophobicContact CG1-CD1 4.21Å; I234-F312 HydrophobicContact CD1-CZ 4.43Å; I234-F312 HydrophobicContact CG1-CE1 4.46Å; I234-F312 HydrophobicContact CG1-CZ 4.08Å
235	L	98.4	Very high	97.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.8	-50.2	-176.8	-61.5	-175	0	0	0	111.2	L233 A239 Y299 K302 A303 L306 T491 L497	L233-L235 PolarHBondContact O-N 3.27Å; L235-A239 WeakPolarHBondContact O-CB 3.38Å; L235-A239 PolarHBondContact O-N 3.38Å; L235-Y299 HydrophobicContact CB-CD2 4.28Å; L235-Y299 HydrophobicContact CB-CE2 3.84Å; L235-Y299 HydrophobicContact CD1-CD1 3.85Å; L235-Y299 HydrophobicContact CD1-CD2 4.12Å; L235-Y299 HydrophobicContact CD1-CE1 3.55Å; L235-Y299 HydrophobicContact CD1-CE2 3.86Å; L235-Y299 HydrophobicContact CD1-CG 4.12Å; L235-Y299 HydrophobicContact CG-CD1 4.29Å; L235-Y299 HydrophobicContact CG-CD2 3.7Å; L235-Y299 HydrophobicContact CG-CE1 4.22Å; L235-Y299 HydrophobicContact CG-CE2 3.65Å; L235-Y299 HydrophobicContact CG-CG 4.03Å; L235-K302 HydrophobicContact CD1-CB 3.85Å; L235-K302 HydrophobicContact CD1-CD 4.25Å; L235-K302 HydrophobicContact CD2-CB 4.14Å; L235-A303 HydrophobicContact CD2-CB 4.1Å; L235-L306 HydrophobicContact CB-CD2 4.41Å; L235-L306 HydrophobicContact CD2-CB 4.33Å; L235-L306 HydrophobicContact CD2-CD2 3.91Å; L235-T491 HydrophobicContact CD1-CG2 4.42Å; L235-L497 HydrophobicContact CB-CD1 3.89Å
236	E	98.8	Very high	97.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-71	-42.2	-178.6	-56.3	71.9	-156.2	0	0	110.7	N149 L153 L157 A239 L240 Y299 T491	N149-E236 PolarHBondContact ND2-OE2 2.94Å; N149-E236 WeakPolarHBondContact OD1-CB 3.48Å; L153-E236 HydrophobicContact CD2-CB 3.93Å; L153-E236 HydrophobicContact CG-CB 4.06Å; L157-E236 HydrophobicContact CD1-CB 3.97Å; L157-E236 WeakPolarHBondContact CD1-O 3.41Å; E236-A239 PolarHBondContact O-N 3.04Å; E236-L240 WeakPolarHBondContact O-CB 3.24Å; E236-L240 PolarHBondContact O-N 3.44Å; E236-Y299 PolarHBondContact OE1-OH 2.97Å; E236-Y299 WeakPolarHBondContact OE2-CE2 3.02Å; E236-T491 VanDerWaalsContact OE1-CG2 3.31Å; E236-T491 WeakPolarHBondContact OE1-CG2 3.17Å
237	F	98.7	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-70.1	-35.7	179.6	-82	36.9	0	0	0	111.7	N149 L153 L191 L192 F195 L233 S241 F249 A253	N149-F237 VanDerWaalsContact OD1-CD1 3.29Å; N149-F237 WeakPolarHBondContact OD1-CD1 3.35Å; N149-F237 WeakPolarHBondContact OD1-CE1 3.34Å; L153-F237 HydrophobicContact CD2-CD1 3.67Å; L153-F237 HydrophobicContact CD2-CE1 3.63Å; L191-F237 HydrophobicContact CB-CZ 4.13Å; L191-F237 HydrophobicContact CD1-CE1 4.25Å; L191-F237 HydrophobicContact CD1-CZ 4.32Å; L192-F237 HydrophobicContact CD2-CE2 4.1Å; F195-F237 AromaticContact CE2-CE2 3.5Å; F195-F237 HydrophobicContact CE2-CE2 3.5Å; F195-F237 VanDerWaalsContact CE2-CE2 3.5Å; F195-F237 AromaticContact CE2-CZ 3.94Å; F195-F237 HydrophobicContact CE2-CZ 3.94Å; F195-F237 HydrophobicContact CZ-CD2 4.2Å; F195-F237 AromaticContact CZ-CE2 3.55Å; F195-F237 HydrophobicContact CZ-CE2 3.55Å; F195-F237 HydrophobicContact CZ-CZ 4.16Å; L233-F237 VanDerWaalsContact O-CB 3.25Å; L233-F237 WeakPolarHBondContact O-CB 3.29Å; L233-F237 PolarHBondContact O-N 3.47Å; L233-F237 VanDerWaalsContact O-N 3.13Å; F237-S241 WeakPolarHBondContact O-CB 3.46Å; F237-S241 PolarHBondContact O-N 3.17Å; F237-S241 PolarHBondContact O-OG 2.75Å; F237-F249 HydrophobicContact CB-CB 3.86Å; F237-F249 HydrophobicContact CD2-CB 3.85Å; F237-F249 WeakPolarHBondContact CD2-O 3.21Å; F237-F249 HydrophobicContact CG-CB 3.98Å; F237-F249 WeakPolarHBondContact O-CB 3.28Å; F237-A253 HydrophobicContact CB-CB 3.87Å; F237-A253 HydrophobicContact CD2-CB 4.06Å; F237-A253 HydrophobicContact CG-CB 4.21Å
238	A	97.6	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.9	-46	172.6	0	0	0	0	0	111.8	I234 L240 S241 R242 E250 L307	I234-A238 HydrophobicContact CD1-CB 4.43Å; I234-A238 WeakPolarHBondContact O-CB 3.48Å; I234-A238 PolarHBondContact O-N 3.08Å; A238-L240 PolarHBondContact O-N 2.9Å; A238-S241 WeakPolarHBondContact O-CA 3.44Å; A238-S241 WeakPolarHBondContact O-CB 3.23Å; A238-S241 PolarHBondContact O-N 2.69Å; A238-S241 VanDerWaalsContact O-N 3.09Å; A238-R242 WeakPolarHBondContact O-CG 3.31Å; A238-R242 PolarHBondContact O-N 2.9Å; A238-E250 HydrophobicContact CB-CB 4.36Å; A238-E250 HydrophobicContact CB-CG 3.99Å; A238-L307 HydrophobicContact CB-CD1 3.98Å; A238-L307 HydrophobicContact CB-CD2 3.66Å; A238-L307 HydrophobicContact CB-CG 4.44Å
239	A	97.9	Very high	97.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-57.9	-47.9	175.1	0	0	0	0	0	111.4	L157 L235 E236 S241 R242 F243 L497 L501	L157-A239 HydrophobicContact CD1-CB 4.24Å; L235-A239 WeakPolarHBondContact O-CB 3.38Å; L235-A239 PolarHBondContact O-N 3.38Å; E236-A239 PolarHBondContact O-N 3.04Å; A239-S241 VanDerWaalsContact C-N 3.27Å; A239-S241 PolarHBondContact O-N 2.79Å; A239-R242 PolarHBondContact O-N 2.83Å; A239-R242 VanDerWaalsContact O-N 3.14Å; A239-F243 HydrophobicContact CB-CD2 4.3Å; A239-F243 HydrophobicContact CB-CE2 4.25Å; A239-F243 WeakPolarHBondContact O-CD2 3.23Å; A239-F243 PolarHBondContact O-N 3.38Å; A239-L497 HydrophobicContact CB-CD1 4.1Å; A239-L497 HydrophobicContact CB-CD2 3.92Å; A239-L501 HydrophobicContact CB-CD1 3.88Å
240	L	98.5	Very high	97.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58	-38.9	174.4	-175.3	66.3	0	0	0	111.9	L153 L157 L181 A184 K185 E236 A238 T244 F249	L153-L240 HydrophobicContact CD1-CD1 4.46Å; L153-L240 HydrophobicContact CD1-CD2 4.17Å; L153-L240 HydrophobicContact CD2-CD2 4.21Å; L157-L240 HydrophobicContact CD1-CB 4.28Å; L157-L240 HydrophobicContact CD2-CB 4.42Å; L157-L240 HydrophobicContact CD2-CD1 4.14Å; L181-L240 HydrophobicContact CD1-CD1 4.13Å; A184-L240 HydrophobicContact CB-CD1 3.89Å; K185-L240 HydrophobicContact CB-CD1 4.33Å; E236-L240 WeakPolarHBondContact O-CB 3.24Å; E236-L240 PolarHBondContact O-N 3.44Å; A238-L240 PolarHBondContact O-N 2.9Å; L240-T244 HydrophobicContact CD1-CG2 3.62Å; L240-T244 HydrophobicContact CG-CG2 4.26Å; L240-T244 VanDerWaalsContact O-CB 3.25Å; L240-T244 WeakPolarHBondContact O-CB 3.41Å; L240-T244 VanDerWaalsContact O-CG2 3.23Å; L240-T244 WeakPolarHBondContact O-CG2 3.32Å; L240-T244 PolarHBondContact O-N 3.04Å; L240-T244 PolarHBondContact O-OG1 3.08Å; L240-F249 HydrophobicContact CB-CD2 4.38Å; L240-F249 HydrophobicContact CD2-CB 4.49Å; L240-F249 HydrophobicContact CD2-CD1 4.02Å; L240-F249 HydrophobicContact CD2-CD2 3.59Å; L240-F249 HydrophobicContact CD2-CE1 4.1Å; L240-F249 HydrophobicContact CD2-CE2 3.64Å; L240-F249 HydrophobicContact CD2-CG 3.77Å; L240-F249 HydrophobicContact CD2-CZ 3.91Å; L240-F249 HydrophobicContact CG-CD2 3.76Å; L240-F249 HydrophobicContact CG-CE2 3.88Å; L240-F249 HydrophobicContact CG-CG 4.35Å
241	S	97.9	Very high	97.6	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.028	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-42.5	176.2	-59.3	0	0	0	0	112.3	F237 A238 A239 G245 A246 F249 E250	F237-S241 WeakPolarHBondContact O-CB 3.46Å; F237-S241 PolarHBondContact O-N 3.17Å; F237-S241 PolarHBondContact O-OG 2.75Å; A238-S241 WeakPolarHBondContact O-CA 3.44Å; A238-S241 WeakPolarHBondContact O-CB 3.23Å; A238-S241 PolarHBondContact O-N 2.69Å; A238-S241 VanDerWaalsContact O-N 3.09Å; A239-S241 VanDerWaalsContact C-N 3.27Å; A239-S241 PolarHBondContact O-N 2.79Å; S241-G245 CarbonylContact O-C 3.59Å; S241-G245 WeakPolarHBondContact O-CA 3.48Å; S241-G245 PolarHBondContact O-N 2.98Å; S241-A246 WeakPolarHBondContact CA-O 3.31Å; S241-A246 WeakPolarHBondContact CB-O 3.21Å; S241-A246 PolarHBondContact O-N 2.97Å; S241-A246 PolarHBondContact OG-O 2.78Å; S241-F249 WeakPolarHBondContact OG-CB 3.42Å; S241-E250 PolarHBondContact OG-N 2.69Å
242	R	95.1	Very high	97.6	Very high	69 Å²	69	25.8 Å²	25.8	26%	0.26	14%	0.144	S	C	.	.	H	α-helix	trans	-67.9	-49.5	178.3	-65.9	-72	175.3	-74.4	-6.7	111.6	A238 A239 T244 E250 L501 T503	A238-R242 WeakPolarHBondContact O-CG 3.31Å; A238-R242 PolarHBondContact O-N 2.9Å; A239-R242 PolarHBondContact O-N 2.83Å; A239-R242 VanDerWaalsContact O-N 3.14Å; R242-T244 PolarHBondContact O-N 3.39Å; R242-E250 IonicContact CZ-OE2 3.21Å; R242-E250 IonicContact NH1-OE2 3.81Å; R242-E250 PolarHBondContact NH1-OE2 3.45Å; R242-E250 IonicContact NH2-OE1 3.22Å; R242-E250 IonicContact NH2-OE2 2.72Å; R242-E250 PolarHBondContact NH2-OE2 3.14Å; R242-L501 HydrophobicContact CB-CD2 3.78Å; R242-T503 PolarHBondContact NE-OG1 2.69Å; R242-T503 VanDerWaalsContact NE-OG1 3.15Å; R242-T503 PolarHBondContact NH2-OG1 3.35Å
243	F	96.4	Very high	97.6	Very high	32 Å²	32	25.9 Å²	25.9	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-38.5	177.7	-75.3	-64	0	0	0	113	L157 H160 S161 L181 A239 P498 W500 L501	L157-F243 HydrophobicContact CD2-CD2 3.93Å; L157-F243 HydrophobicContact CD2-CE2 4.35Å; H160-F243 AromaticContact CD2-CD1 3.76Å; H160-F243 AromaticContact CD2-CE1 3.68Å; H160-F243 AromaticContact CD2-CZ 3.93Å; H160-F243 AromaticContact NE2-CD1 3.38Å; H160-F243 WeakPolarHBondContact NE2-CD1 3.34Å; H160-F243 AromaticContact NE2-CE1 3.6Å; H160-F243 AromaticContact NE2-CG 3.94Å; S161-F243 VanDerWaalsContact OG-CZ 3.31Å; S161-F243 WeakPolarHBondContact OG-CZ 3.37Å; L181-F243 HydrophobicContact CD1-CB 3.54Å; L181-F243 HydrophobicContact CD1-CD2 4.48Å; L181-F243 HydrophobicContact CD1-CG 4.18Å; L181-F243 HydrophobicContact CD2-CB 3.89Å; L181-F243 HydrophobicContact CG-CB 4.37Å; A239-F243 HydrophobicContact CB-CD2 4.3Å; A239-F243 HydrophobicContact CB-CE2 4.25Å; A239-F243 WeakPolarHBondContact O-CD2 3.23Å; A239-F243 PolarHBondContact O-N 3.38Å; F243-P498 HydrophobicContact CZ-CG 4.08Å; F243-W500 HydrophobicContact CD1-CH2 4.01Å; F243-W500 AromaticContact CE1-CH2 3.52Å; F243-W500 HydrophobicContact CE1-CH2 3.52Å; F243-W500 AromaticContact CE1-CZ2 3.77Å; F243-W500 HydrophobicContact CE1-CZ2 3.77Å; F243-W500 HydrophobicContact CZ-CH2 4.39Å; F243-W500 HydrophobicContact CZ-CZ2 4.4Å; F243-L501 HydrophobicContact CD1-CD2 4.19Å; F243-L501 HydrophobicContact CD2-CD1 4.5Å; F243-L501 HydrophobicContact CD2-CD2 4.22Å; F243-L501 HydrophobicContact CE1-CD2 3.99Å; F243-L501 HydrophobicContact CE2-CD1 3.78Å; F243-L501 HydrophobicContact CE2-CD2 4.02Å; F243-L501 HydrophobicContact CG-CD2 4.29Å; F243-L501 HydrophobicContact CZ-CD1 3.98Å; F243-L501 HydrophobicContact CZ-CD2 3.89Å; F243-L501 HydrophobicContact CZ-CG 4.38Å
244	T	97.3	Very high	97.5	Very high	24 Å²	24	28.4 Å²	28.4	15%	0.147	15%	0.154	C	C	.	.	H	α-helix	trans	-100.7	-2	-172.2	73.8	0	0	0	0	115.6	L181 K185 L240 R242 A246	L181-T244 HydrophobicContact CD1-CG2 3.61Å; L181-T244 HydrophobicContact CD2-CG2 4.13Å; L181-T244 HydrophobicContact CG-CG2 3.83Å; K185-T244 HydrophobicContact CB-CG2 4.09Å; K185-T244 HydrophobicContact CD-CG2 3.78Å; K185-T244 HydrophobicContact CG-CG2 4.07Å; K185-T244 PolarHBondContact NZ-O 2.96Å; K185-T244 VanDerWaalsContact NZ-O 3.1Å; L240-T244 HydrophobicContact CD1-CG2 3.62Å; L240-T244 HydrophobicContact CG-CG2 4.26Å; L240-T244 VanDerWaalsContact O-CB 3.25Å; L240-T244 WeakPolarHBondContact O-CB 3.41Å; L240-T244 VanDerWaalsContact O-CG2 3.23Å; L240-T244 WeakPolarHBondContact O-CG2 3.32Å; L240-T244 PolarHBondContact O-N 3.04Å; L240-T244 PolarHBondContact O-OG1 3.08Å; R242-T244 PolarHBondContact O-N 3.39Å; T244-A246 PolarHBondContact O-N 3.14Å
245	G	95.2	Very high	97.5	Very high	67 Å²	67	33.2 Å²	33.2	69%	0.691	18%	0.175	S	C	*	.	S	Bend	trans	67	7.1	-174.7	0	0	0	0	0	115.5	S241	S241-G245 CarbonylContact O-C 3.59Å; S241-G245 WeakPolarHBondContact O-CA 3.48Å; S241-G245 PolarHBondContact O-N 2.98Å
246	A	96.4	Very high	97.5	Very high	16 Å²	16	33.2 Å²	33.2	13%	0.132	18%	0.175	C	C	.	.			trans	-104.2	94.8	-174.8	0	0	0	0	0	111.2	S241 T244 I248 F249	S241-A246 WeakPolarHBondContact CA-O 3.31Å; S241-A246 WeakPolarHBondContact CB-O 3.21Å; S241-A246 PolarHBondContact O-N 2.97Å; S241-A246 PolarHBondContact OG-O 2.78Å; T244-A246 PolarHBondContact O-N 3.14Å; A246-I248 HydrophobicContact CB-CG2 4.36Å; A246-I248 PolarHBondContact O-N 3.44Å; A246-I248 VanDerWaalsContact O-N 3.08Å; A246-F249 HydrophobicContact CB-CD2 4.41Å; A246-F249 HydrophobicContact CB-CE2 3.96Å; A246-F249 WeakPolarHBondContact O-CD2 3.2Å
247	T	96.3	Very high	97.5	Very high	80 Å²	80	33.2 Å²	33.2	49%	0.491	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.1	-175.6	57.1	0	0	0	0	115.1	F249 E250 E251	T247-F249 PolarHBondContact O-N 3.18Å; T247-E250 PolarHBondContact O-N 3.16Å; T247-E250 VanDerWaalsContact O-N 3.13Å; T247-E251 VanDerWaalsContact CB-OE1 3.25Å; T247-E251 WeakPolarHBondContact CB-OE1 3.45Å; T247-E251 WeakPolarHBondContact O-CG 3.29Å; T247-E251 PolarHBondContact O-N 3.04Å; T247-E251 PolarHBondContact OG1-OE1 3.36Å
248	I	97.9	Very high	97.4	Very high	60 Å²	60	35.6 Å²	35.6	31%	0.308	19%	0.188	S	C	.	.	H	α-helix	trans	-50.4	-34.8	-173.9	-170.4	165.4	0	0	0	113.9	Y189 L192 A246 Y252	Y189-I248 HydrophobicContact CE1-CG2 4.33Å; L192-I248 HydrophobicContact CD1-CD1 3.88Å; L192-I248 HydrophobicContact CD1-CG1 3.94Å; L192-I248 HydrophobicContact CD1-CG2 4.29Å; A246-I248 HydrophobicContact CB-CG2 4.36Å; A246-I248 PolarHBondContact O-N 3.44Å; A246-I248 VanDerWaalsContact O-N 3.08Å; I248-Y252 HydrophobicContact CD1-CE2 4.14Å; I248-Y252 HydrophobicContact CG1-CD2 3.84Å; I248-Y252 HydrophobicContact CG1-CE2 3.76Å; I248-Y252 VanDerWaalsContact O-CD2 3.25Å; I248-Y252 WeakPolarHBondContact O-CD2 3.43Å; I248-Y252 PolarHBondContact O-N 2.58Å
249	F	98.5	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-52.5	-179.9	-47.9	-70.6	0	0	0	110.8	K185 G188 Y189 L192 F237 L240 S241 A246 T247 E251 Y252 A253	K185-F249 HydrophobicContact CG-CE2 4.49Å; K185-F249 HydrophobicContact CG-CZ 4.42Å; G188-F249 VanDerWaalsContact C-CE1 3.47Å; Y189-F249 AromaticContact CD1-CE1 3.91Å; Y189-F249 HydrophobicContact CD1-CE1 3.91Å; Y189-F249 AromaticContact CD1-CZ 3.9Å; Y189-F249 HydrophobicContact CD1-CZ 3.9Å; Y189-F249 HydrophobicContact CD2-CZ 4.14Å; Y189-F249 HydrophobicContact CE1-CE1 4.07Å; Y189-F249 AromaticContact CE1-CZ 3.72Å; Y189-F249 HydrophobicContact CE1-CZ 3.72Å; Y189-F249 AromaticContact CE2-CZ 4Å; Y189-F249 HydrophobicContact CE2-CZ 4Å; Y189-F249 HydrophobicContact CG-CE1 4.22Å; Y189-F249 HydrophobicContact CG-CZ 4.09Å; Y189-F249 AromaticContact CZ-CZ 3.76Å; L192-F249 HydrophobicContact CD1-CD1 4.03Å; L192-F249 HydrophobicContact CD1-CE1 3.84Å; L192-F249 HydrophobicContact CD2-CD1 3.89Å; L192-F249 HydrophobicContact CD2-CE1 4.44Å; L192-F249 HydrophobicContact CG-CD1 3.94Å; L192-F249 HydrophobicContact CG-CE1 3.99Å; F237-F249 HydrophobicContact CB-CB 3.86Å; F237-F249 HydrophobicContact CD2-CB 3.85Å; F237-F249 WeakPolarHBondContact CD2-O 3.21Å; F237-F249 HydrophobicContact CG-CB 3.98Å; F237-F249 WeakPolarHBondContact O-CB 3.28Å; L240-F249 HydrophobicContact CB-CD2 4.38Å; L240-F249 HydrophobicContact CD2-CB 4.49Å; L240-F249 HydrophobicContact CD2-CD1 4.02Å; L240-F249 HydrophobicContact CD2-CD2 3.59Å; L240-F249 HydrophobicContact CD2-CE1 4.1Å; L240-F249 HydrophobicContact CD2-CE2 3.64Å; L240-F249 HydrophobicContact CD2-CG 3.77Å; L240-F249 HydrophobicContact CD2-CZ 3.91Å; L240-F249 HydrophobicContact CG-CD2 3.76Å; L240-F249 HydrophobicContact CG-CE2 3.88Å; L240-F249 HydrophobicContact CG-CG 4.35Å; S241-F249 WeakPolarHBondContact OG-CB 3.42Å; A246-F249 HydrophobicContact CB-CD2 4.41Å; A246-F249 HydrophobicContact CB-CE2 3.96Å; A246-F249 WeakPolarHBondContact O-CD2 3.2Å; T247-F249 PolarHBondContact O-N 3.18Å; F249-E251 PolarHBondContact O-N 3.09Å; F249-Y252 PolarHBondContact O-N 2.85Å; F249-Y252 VanDerWaalsContact O-N 3.11Å; F249-A253 PolarHBondContact O-N 2.88Å; F249-A253 VanDerWaalsContact O-N 3.14Å
250	E	97.5	Very high	97.5	Very high	20 Å²	20	37.2 Å²	37.2	9%	0.093	20%	0.195	C	C	.	.	H	α-helix	trans	-55	-43.5	175.5	-171.2	-173.2	163.6	0	0	110.9	I234 A238 S241 R242 T247 Y252 A253 R254	I234-E250 HydrophobicContact CD1-CG 4.02Å; A238-E250 HydrophobicContact CB-CB 4.36Å; A238-E250 HydrophobicContact CB-CG 3.99Å; S241-E250 PolarHBondContact OG-N 2.69Å; R242-E250 IonicContact CZ-OE2 3.21Å; R242-E250 IonicContact NH1-OE2 3.81Å; R242-E250 PolarHBondContact NH1-OE2 3.45Å; R242-E250 IonicContact NH2-OE1 3.22Å; R242-E250 IonicContact NH2-OE2 2.72Å; R242-E250 PolarHBondContact NH2-OE2 3.14Å; T247-E250 PolarHBondContact O-N 3.16Å; T247-E250 VanDerWaalsContact O-N 3.13Å; E250-Y252 VanDerWaalsContact C-N 3.29Å; E250-Y252 PolarHBondContact O-N 3.19Å; E250-A253 PolarHBondContact O-N 3.47Å; E250-R254 WeakPolarHBondContact O-CB 3.34Å; E250-R254 PolarHBondContact O-N 3.17Å; E250-R254 IonicContact OE1-CZ 3.67Å; E250-R254 IonicContact OE1-NE 3.63Å; E250-R254 PolarHBondContact OE1-NE 3.1Å; E250-R254 IonicContact OE1-NH2 3.39Å; E250-R254 PolarHBondContact OE1-NH2 2.92Å
251	E	97.7	Very high	97.4	Very high	85 Å²	85	39 Å²	39	40%	0.397	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-34.9	179.4	-73.4	176.8	-128.4	0	0	113.8	T247 F249 K255	T247-E251 VanDerWaalsContact CB-OE1 3.25Å; T247-E251 WeakPolarHBondContact CB-OE1 3.45Å; T247-E251 WeakPolarHBondContact O-CG 3.29Å; T247-E251 PolarHBondContact O-N 3.04Å; T247-E251 PolarHBondContact OG1-OE1 3.36Å; F249-E251 PolarHBondContact O-N 3.09Å; E251-K255 WeakPolarHBondContact O-CD 3.38Å; E251-K255 VanDerWaalsContact O-CE 3.32Å; E251-K255 WeakPolarHBondContact O-CE 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.18Å; E251-K255 PolarHBondContact O-N 3.39Å; E251-K255 IonicContact OE2-NZ 2.75Å
252	Y	98.4	Very high	97.4	Very high	83 Å²	83	45.4 Å²	45.4	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-78	-45.3	177.6	-90.3	-71.4	0	0	0	112	L192 F195 I248 F249 E250 R254 K255 A256	L192-Y252 HydrophobicContact CD1-CD2 4.49Å; L192-Y252 HydrophobicContact CD1-CE2 4.49Å; L192-Y252 HydrophobicContact CD2-CD2 3.51Å; L192-Y252 HydrophobicContact CD2-CE2 4.15Å; L192-Y252 HydrophobicContact CD2-CG 4.02Å; F195-Y252 HydrophobicContact CB-CD1 3.42Å; F195-Y252 VanDerWaalsContact CB-CD1 3.42Å; F195-Y252 HydrophobicContact CB-CE1 3.77Å; F195-Y252 HydrophobicContact CB-CG 4.24Å; F195-Y252 HydrophobicContact CD1-CD1 4Å; F195-Y252 HydrophobicContact CD1-CG 4.34Å; F195-Y252 AromaticContact CG-CD1 3.8Å; F195-Y252 HydrophobicContact CG-CD1 3.8Å; F195-Y252 HydrophobicContact CG-CG 4.2Å; I248-Y252 HydrophobicContact CD1-CE2 4.14Å; I248-Y252 HydrophobicContact CG1-CD2 3.84Å; I248-Y252 HydrophobicContact CG1-CE2 3.76Å; I248-Y252 VanDerWaalsContact O-CD2 3.25Å; I248-Y252 WeakPolarHBondContact O-CD2 3.43Å; I248-Y252 PolarHBondContact O-N 2.58Å; F249-Y252 PolarHBondContact O-N 2.85Å; F249-Y252 VanDerWaalsContact O-N 3.11Å; E250-Y252 VanDerWaalsContact C-N 3.29Å; E250-Y252 PolarHBondContact O-N 3.19Å; Y252-R254 VanDerWaalsContact C-N 3.34Å; Y252-R254 PolarHBondContact O-N 2.72Å; Y252-K255 PolarHBondContact O-N 3.18Å; Y252-A256 PolarHBondContact O-N 3.37Å
253	A	98.3	Very high	97.5	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-38.1	178.3	0	0	0	0	0	112.3	L233 I234 F237 F249 E250 A256 L257	L233-A253 HydrophobicContact CB-CB 4.17Å; I234-A253 HydrophobicContact CB-CB 4.27Å; I234-A253 HydrophobicContact CD1-CB 3.93Å; F237-A253 HydrophobicContact CB-CB 3.87Å; F237-A253 HydrophobicContact CD2-CB 4.06Å; F237-A253 HydrophobicContact CG-CB 4.21Å; F249-A253 PolarHBondContact O-N 2.88Å; F249-A253 VanDerWaalsContact O-N 3.14Å; E250-A253 PolarHBondContact O-N 3.47Å; A253-A256 PolarHBondContact O-N 3.07Å; A253-L257 PolarHBondContact O-N 2.94Å
254	R	97.2	Very high	97.5	Very high	54 Å²	54	46.3 Å²	46.3	20%	0.204	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-46.2	176.1	-175.4	177.4	-73	-91.6	12	111.9	I234 E250 Y252 A256 L257 D258 D309	I234-R254 HydrophobicContact CD1-CB 4.3Å; E250-R254 WeakPolarHBondContact O-CB 3.34Å; E250-R254 PolarHBondContact O-N 3.17Å; E250-R254 IonicContact OE1-CZ 3.67Å; E250-R254 IonicContact OE1-NE 3.63Å; E250-R254 PolarHBondContact OE1-NE 3.1Å; E250-R254 IonicContact OE1-NH2 3.39Å; E250-R254 PolarHBondContact OE1-NH2 2.92Å; Y252-R254 VanDerWaalsContact C-N 3.34Å; Y252-R254 PolarHBondContact O-N 2.72Å; R254-A256 VanDerWaalsContact C-N 3.29Å; R254-A256 PolarHBondContact O-N 2.88Å; R254-L257 PolarHBondContact O-N 2.85Å; R254-L257 VanDerWaalsContact O-N 3.1Å; R254-D258 PolarHBondContact O-N 2.86Å; R254-D309 IonicContact CZ-OD2 3.68Å; R254-D309 VanDerWaalsContact CZ-OD2 3.26Å; R254-D309 IonicContact NH1-OD2 3.44Å; R254-D309 PolarHBondContact NH1-OD2 2.83Å; R254-D309 IonicContact NH2-OD2 2.7Å; R254-D309 PolarHBondContact NH2-OD2 3.21Å
255	K	97.9	Very high	97.4	Very high	102 Å²	102	47.4 Å²	47.4	44%	0.443	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-37.2	176.4	-73	163.7	-164.4	151.6	0	112.6	E251 Y252 D258 F259	E251-K255 WeakPolarHBondContact O-CD 3.38Å; E251-K255 VanDerWaalsContact O-CE 3.32Å; E251-K255 WeakPolarHBondContact O-CE 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.18Å; E251-K255 PolarHBondContact O-N 3.39Å; E251-K255 IonicContact OE2-NZ 2.75Å; Y252-K255 PolarHBondContact O-N 3.18Å; K255-D258 PolarHBondContact O-N 2.8Å; K255-F259 PolarHBondContact O-N 3.07Å
256	A	98.4	Very high	97.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-43.3	174.5	0	0	0	0	0	112	F195 L201 Y252 A253 R254 F259 L260	F195-A256 HydrophobicContact CE1-CB 4.35Å; L201-A256 HydrophobicContact CD2-CB 4.11Å; L201-A256 WeakPolarHBondContact CD2-O 3.36Å; Y252-A256 PolarHBondContact O-N 3.37Å; A253-A256 PolarHBondContact O-N 3.07Å; R254-A256 VanDerWaalsContact C-N 3.29Å; R254-A256 PolarHBondContact O-N 2.88Å; A256-F259 PolarHBondContact O-N 3.47Å; A256-L260 WeakPolarHBondContact O-CG 3.45Å; A256-L260 PolarHBondContact O-N 2.8Å
257	L	97.9	Very high	97.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-33.9	174.8	-74.2	174.2	0	0	0	113.5	I234 A253 R254 L260 W261 Y296 L300 F312 R315	I234-L257 HydrophobicContact CB-CD1 3.63Å; I234-L257 HydrophobicContact CG1-CD1 4.08Å; I234-L257 HydrophobicContact CG2-CD1 3.57Å; A253-L257 PolarHBondContact O-N 2.94Å; R254-L257 PolarHBondContact O-N 2.85Å; R254-L257 VanDerWaalsContact O-N 3.1Å; L257-L260 HydrophobicContact CD2-CD1 4.48Å; L257-W261 VanDerWaalsContact O-CB 3.3Å; L257-W261 WeakPolarHBondContact O-CB 3.29Å; L257-W261 PolarHBondContact O-N 3.4Å; L257-Y296 HydrophobicContact CD2-CD2 3.59Å; L257-Y296 HydrophobicContact CD2-CE2 3.53Å; L257-L300 HydrophobicContact CD2-CD2 4.41Å; L257-F312 HydrophobicContact CD1-CD1 4.48Å; L257-F312 HydrophobicContact CD1-CE1 3.82Å; L257-R315 PolarHBondContact O-NH1 2.83Å
258	D	97.6	Very high	97.1	Very high	49 Å²	49	54.7 Å²	54.7	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-46.1	172.9	-64.7	-31.3	0	0	0	111	R254 K255 W261 E262 R315	R254-D258 PolarHBondContact O-N 2.86Å; K255-D258 PolarHBondContact O-N 2.8Å; D258-W261 WeakPolarHBondContact O-CB 3.28Å; D258-W261 PolarHBondContact O-N 3.27Å; D258-E262 PolarHBondContact O-N 3.2Å; D258-R315 IonicContact OD1-CZ 2.68Å; D258-R315 IonicContact OD1-NH1 3.4Å; D258-R315 PolarHBondContact OD1-NH1 2.74Å; D258-R315 IonicContact OD1-NH2 3.14Å; D258-R315 PolarHBondContact OD1-NH2 2.68Å
259	F	98.3	Very high	97	Very high	36 Å²	36	54.1 Å²	54.1	16%	0.158	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-43	176.7	-169.5	-87.8	0	0	0	112.6	S199 L201 K255 A256 W261 E262 K263 I275	S199-F259 VanDerWaalsContact CB-CE1 3.47Å; S199-F259 VanDerWaalsContact CB-CE2 3.49Å; L201-F259 HydrophobicContact CD1-CD1 3.67Å; L201-F259 HydrophobicContact CD1-CE1 3.77Å; L201-F259 HydrophobicContact CD2-CB 4.26Å; L201-F259 HydrophobicContact CD2-CD1 3.93Å; L201-F259 HydrophobicContact CD2-CG 4.47Å; L201-F259 HydrophobicContact CG-CD1 3.7Å; L201-F259 HydrophobicContact CG-CE1 4.16Å; L201-F259 HydrophobicContact CG-CG 4.41Å; K255-F259 PolarHBondContact O-N 3.07Å; A256-F259 PolarHBondContact O-N 3.47Å; F259-W261 VanDerWaalsContact C-N 3.3Å; F259-W261 PolarHBondContact O-N 2.88Å; F259-E262 PolarHBondContact O-N 3.29Å; F259-K263 HydrophobicContact CD1-CG 3.96Å; F259-K263 HydrophobicContact CE1-CD 4.39Å; F259-K263 HydrophobicContact CE1-CG 3.71Å; F259-K263 HydrophobicContact CZ-CD 4.44Å; F259-K263 HydrophobicContact CZ-CG 4.2Å; F259-K263 VanDerWaalsContact O-CG 3.29Å; F259-K263 WeakPolarHBondContact O-CG 3.33Å; F259-K263 PolarHBondContact O-N 3.05Å; F259-K263 VanDerWaalsContact O-N 3.09Å; F259-I275 HydrophobicContact CE1-CD1 4.32Å
260	L	98.2	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-40.8	174.5	-72.8	174.6	0	0	0	111.8	L201 T227 A230 A256 L257 K263 R264 I275 W282 Y296	L201-L260 HydrophobicContact CD1-CD2 4.43Å; L201-L260 HydrophobicContact CD2-CD2 4.02Å; L201-L260 HydrophobicContact CD2-CG 3.82Å; T227-L260 HydrophobicContact CG2-CD1 4.48Å; T227-L260 HydrophobicContact CG2-CD2 4.47Å; A230-L260 HydrophobicContact CB-CD1 4.17Å; A256-L260 WeakPolarHBondContact O-CG 3.45Å; A256-L260 PolarHBondContact O-N 2.8Å; L257-L260 HydrophobicContact CD2-CD1 4.48Å; L260-K263 PolarHBondContact O-N 3.07Å; L260-R264 PolarHBondContact O-N 2.81Å; L260-I275 HydrophobicContact CD2-CD1 4.31Å; L260-I275 HydrophobicContact CD2-CG2 4.24Å; L260-W282 HydrophobicContact CD2-CH2 4.37Å; L260-Y296 HydrophobicContact CB-CE2 3.98Å; L260-Y296 HydrophobicContact CD1-CD2 3.9Å; L260-Y296 HydrophobicContact CD1-CE2 3.87Å
261	W	97.7	Very high	97	Very high	36 Å²	36	53.1 Å²	53.1	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-44.4	176.3	171.6	-117	0	0	0	112.6	L257 D258 F259 K263 R264 R315 T318	L257-W261 VanDerWaalsContact O-CB 3.3Å; L257-W261 WeakPolarHBondContact O-CB 3.29Å; L257-W261 PolarHBondContact O-N 3.4Å; D258-W261 WeakPolarHBondContact O-CB 3.28Å; D258-W261 PolarHBondContact O-N 3.27Å; F259-W261 VanDerWaalsContact C-N 3.3Å; F259-W261 PolarHBondContact O-N 2.88Å; W261-K263 VanDerWaalsContact C-N 3.27Å; W261-K263 PolarHBondContact O-N 2.77Å; W261-R264 VanDerWaalsContact CD2-NH1 3.25Å; W261-R264 VanDerWaalsContact CZ2-CZ 3.46Å; W261-R264 VanDerWaalsContact CZ2-NH2 3.33Å; W261-R264 WeakPolarHBondContact O-CD 3.21Å; W261-R264 VanDerWaalsContact O-CG 3.29Å; W261-R264 WeakPolarHBondContact O-CG 3.45Å; W261-R264 PolarHBondContact O-N 2.93Å; W261-R264 PolarHBondContact O-NH1 2.95Å; W261-R315 HydrophobicContact CD2-CB 4.42Å; W261-R315 HydrophobicContact CD2-CG 3.58Å; W261-R315 HydrophobicContact CE3-CB 3.96Å; W261-R315 HydrophobicContact CE3-CG 3.63Å; W261-R315 HydrophobicContact CG-CG 4.11Å; W261-R315 HydrophobicContact CH2-CB 4.28Å; W261-R315 HydrophobicContact CH2-CG 3.94Å; W261-R315 HydrophobicContact CZ2-CG 3.91Å; W261-R315 HydrophobicContact CZ3-CB 3.9Å; W261-R315 HydrophobicContact CZ3-CG 3.82Å; W261-T318 HydrophobicContact CH2-CG2 3.7Å; W261-T318 HydrophobicContact CZ3-CG2 3.99Å
262	E	97.2	Very high	97	Very high	140 Å²	140	49.1 Å²	49.1	65%	0.654	22%	0.22	S	C	*	.	H	α-helix	trans	-62.1	-33.6	175.6	-74.6	-175	174.1	0	0	112.9	D258 F259	D258-E262 PolarHBondContact O-N 3.2Å; F259-E262 PolarHBondContact O-N 3.29Å
263	K	97.2	Very high	96.9	Very high	60 Å²	60	45.3 Å²	45.3	26%	0.261	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.9	-176.9	-67.8	-61.7	-166.6	142.5	0	114.9	F259 L260 W261 I275 T279 G280 W282	F259-K263 HydrophobicContact CD1-CG 3.96Å; F259-K263 HydrophobicContact CE1-CD 4.39Å; F259-K263 HydrophobicContact CE1-CG 3.71Å; F259-K263 HydrophobicContact CZ-CD 4.44Å; F259-K263 HydrophobicContact CZ-CG 4.2Å; F259-K263 VanDerWaalsContact O-CG 3.29Å; F259-K263 WeakPolarHBondContact O-CG 3.33Å; F259-K263 PolarHBondContact O-N 3.05Å; F259-K263 VanDerWaalsContact O-N 3.09Å; L260-K263 PolarHBondContact O-N 3.07Å; W261-K263 VanDerWaalsContact C-N 3.27Å; W261-K263 PolarHBondContact O-N 2.77Å; K263-I275 HydrophobicContact CB-CD1 4.04Å; K263-I275 HydrophobicContact CG-CD1 4.11Å; K263-T279 PolarHBondContact NZ-O 3.14Å; K263-G280 VanDerWaalsContact CD-O 3.24Å; K263-G280 WeakPolarHBondContact CD-O 3.45Å; K263-G280 VanDerWaalsContact CE-O 3.27Å; K263-G280 WeakPolarHBondContact CE-O 3.21Å; K263-G280 VanDerWaalsContact NZ-C 3.32Å; K263-G280 PolarHBondContact NZ-O 3.41Å; K263-W282 HydrophobicContact CB-CZ2 4.03Å; K263-W282 PolarHBondContact O-NE1 2.79Å
264	R	96.4	Very high	96.8	Very high	59 Å²	59	46.4 Å²	46.4	22%	0.223	21%	0.212	C	C	.	.	S	Bend	trans	-56.3	146.9	175.7	79.3	-169.7	-176.1	-88	12.9	112.1	L260 W261 R266 N269 V271 H319	L260-R264 PolarHBondContact O-N 2.81Å; W261-R264 VanDerWaalsContact CD2-NH1 3.25Å; W261-R264 VanDerWaalsContact CZ2-CZ 3.46Å; W261-R264 VanDerWaalsContact CZ2-NH2 3.33Å; W261-R264 WeakPolarHBondContact O-CD 3.21Å; W261-R264 VanDerWaalsContact O-CG 3.29Å; W261-R264 WeakPolarHBondContact O-CG 3.45Å; W261-R264 PolarHBondContact O-N 2.93Å; W261-R264 PolarHBondContact O-NH1 2.95Å; R264-R266 PolarHBondContact O-N 3.04Å; R264-R266 VanDerWaalsContact O-N 3.07Å; R264-N269 PolarHBondContact NE-OD1 2.9Å; R264-V271 HydrophobicContact CB-CG1 3.86Å; R264-H319 WeakPolarHBondContact CB-NE2 3.47Å; R264-H319 WeakPolarHBondContact CD-NE2 3.49Å
265	Q	96.2	Very high	96.8	Very high	48 Å²	48	43.9 Å²	43.9	22%	0.224	20%	0.202	C	C	.	.			trans	-69.5	107.9	-179.8	175.2	55.8	22.3	0	0	110.7	S267 S268 N269 L270 I338	Q265-S267 PolarHBondContact NE2-OG 2.87Å; Q265-S267 PolarHBondContact O-N 3.14Å; Q265-S268 WeakPolarHBondContact CG-OG 3.45Å; Q265-S268 PolarHBondContact O-N 3.27Å; Q265-N269 WeakPolarHBondContact O-CA 3.21Å; Q265-N269 PolarHBondContact O-N 2.95Å; Q265-L270 PolarHBondContact N-O 2.92Å; Q265-I338 HydrophobicContact CB-CB 4.08Å; Q265-I338 HydrophobicContact CB-CD1 4.48Å; Q265-I338 HydrophobicContact CB-CG1 4.27Å; Q265-I338 HydrophobicContact CG-CB 4.49Å; Q265-I338 WeakPolarHBondContact CG-O 3.37Å
266	R	92.1	Very high	96.8	Very high	232 Å²	232	40.1 Å²	40.1	88%	0.875	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.3	-172.4	-65.9	-176	179.1	-177.4	-0.5	115.5	R264	R264-R266 PolarHBondContact O-N 3.04Å; R264-R266 VanDerWaalsContact O-N 3.07Å
267	S	92.5	Very high	96.8	Very high	79 Å²	79	40.1 Å²	40.1	55%	0.552	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.8	-179	62.1	0	0	0	0	114.9	Q265	Q265-S267 PolarHBondContact NE2-OG 2.87Å; Q265-S267 PolarHBondContact O-N 3.14Å
268	S	95.1	Very high	96.7	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.028	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	-9.7	-174.8	58.8	0	0	0	0	114.1	Q265 L270 A322 I338	Q265-S268 WeakPolarHBondContact CG-OG 3.45Å; Q265-S268 PolarHBondContact O-N 3.27Å; S268-L270 PolarHBondContact O-N 3.31Å; S268-L270 VanDerWaalsContact O-N 3.09Å; S268-A322 WeakPolarHBondContact O-CB 3.41Å; S268-I338 PolarHBondContact OG-O 2.81Å
269	N	97.5	Very high	96.6	Very high	48 Å²	48	44.4 Å²	44.4	26%	0.257	21%	0.21	S	C	.	.			trans	55	9.7	-168.3	-68.2	-50	0	0	0	115.5	R264 Q265 T318 H319 A322	R264-N269 PolarHBondContact NE-OD1 2.9Å; Q265-N269 WeakPolarHBondContact O-CA 3.21Å; Q265-N269 PolarHBondContact O-N 2.95Å; N269-T318 HydrophobicContact CB-CG2 3.87Å; N269-T318 VanDerWaalsContact CG-CG2 3.43Å; N269-T318 WeakPolarHBondContact ND2-CG2 3.29Å; N269-H319 PolarHBondContact O-CE1 3.41Å; N269-H319 PolarHBondContact O-ND1 2.67Å; N269-H319 PolarHBondContact O-NE2 3.07Å; N269-A322 HydrophobicContact CB-CB 4.13Å
270	L	97.7	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.			trans	-79.8	152	178.4	-63.1	177.8	0	0	0	112.2	Q265 S268 A322 Y326 I327 V336 I338 P341	Q265-L270 PolarHBondContact N-O 2.92Å; S268-L270 PolarHBondContact O-N 3.31Å; S268-L270 VanDerWaalsContact O-N 3.09Å; L270-A322 HydrophobicContact CD2-CB 3.77Å; L270-A322 HydrophobicContact CG-CB 4.34Å; L270-Y326 HydrophobicContact CD1-CD2 4.26Å; L270-Y326 HydrophobicContact CG-CD2 4.44Å; L270-I327 HydrophobicContact CD2-CD1 3.77Å; L270-V336 HydrophobicContact CD1-CG2 3.64Å; L270-I338 HydrophobicContact CB-CB 4.12Å; L270-I338 HydrophobicContact CB-CG2 3.75Å; L270-P341 HydrophobicContact CD1-CB 4.1Å
271	V	98	Very high	96.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.			trans	-113.9	148.8	174.7	-70.9	0	0	0	0	109.7	T227 R264 W282 S287 I293 Y296 Y297 H319	T227-V271 HydrophobicContact CG2-CB 4.42Å; T227-V271 HydrophobicContact CG2-CG2 4.04Å; R264-V271 HydrophobicContact CB-CG1 3.86Å; V271-W282 HydrophobicContact CB-CH2 3.64Å; V271-W282 HydrophobicContact CB-CZ2 3.84Å; V271-W282 HydrophobicContact CB-CZ3 4.42Å; V271-W282 HydrophobicContact CG1-CH2 3.99Å; V271-W282 HydrophobicContact CG1-CZ2 3.87Å; V271-S287 WeakPolarHBondContact O-CB 3.04Å; V271-S287 PolarHBondContact O-OG 3.45Å; V271-I293 HydrophobicContact CG2-CG2 3.92Å; V271-Y296 HydrophobicContact CG1-CE1 4.43Å; V271-Y296 HydrophobicContact CG2-CD1 4.26Å; V271-Y296 HydrophobicContact CG2-CE1 3.98Å; V271-Y297 HydrophobicContact CG2-CE1 4.1Å; V271-Y297 WeakPolarHBondContact CG2-OH 3.33Å; V271-H319 VanDerWaalsContact CG1-NE2 3.27Å; V271-H319 WeakPolarHBondContact CG1-NE2 3.34Å
272	G	97	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.			trans	-79.4	172.3	179.3	0	0	0	0	0	113.1	T227 W282 R284 D286	T227-G272 PolarHBondContact OG1-O 2.68Å; G272-W282 VanDerWaalsContact N-CE3 3.28Å; G272-W282 VanDerWaalsContact N-CZ3 3.27Å; G272-W282 WeakPolarHBondContact O-CZ3 3.45Å; G272-R284 WeakPolarHBondContact CA-O 3.39Å; G272-D286 CarbonylContact C-O 3.57Å; G272-D286 WeakPolarHBondContact CA-O 3.14Å
273	V	95.9	Very high	96.3	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	22%	0.216	C	C	.	.	S	Bend	trans	-74.8	-28.9	174.6	174	0	0	0	0	112.6	C226 T227 R284 D286 I293	C226-V273 VanDerWaalsContact CA-O 3.3Å; C226-V273 WeakPolarHBondContact CA-O 3.47Å; C226-V273 WeakPolarHBondContact CB-O 3.39Å; T227-V273 PolarHBondContact N-O 3.14Å; V273-R284 HydrophobicContact CB-CB 4.1Å; V273-R284 PolarHBondContact N-O 2.93Å; V273-D286 PolarHBondContact N-O 3.12Å; V273-D286 VanDerWaalsContact N-O 3.09Å; V273-I293 HydrophobicContact CB-CD1 4.49Å; V273-I293 HydrophobicContact CB-CG1 4.43Å; V273-I293 HydrophobicContact CG2-CD1 3.76Å; V273-I293 HydrophobicContact CG2-CG1 3.98Å
274	T	97	Very high	96.1	Very high	24 Å²	24	45.6 Å²	45.6	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	132.3	-173.9	-49.1	0	0	0	0	111.2	D224 T225 W282 V283 R284	D224-T274 HydrophobicContact CB-CG2 4.02Å; T225-T274 WeakPolarHBondContact O-CA 3.23Å; T225-T274 VanDerWaalsContact O-CG2 3.31Å; T225-T274 WeakPolarHBondContact O-CG2 3.41Å; T274-W282 CarbonylContact O-C 3.52Å; T274-V283 HydrophobicContact CG2-CB 4.38Å; T274-V283 PolarHBondContact O-N 3.36Å; T274-R284 PolarHBondContact O-N 3.14Å; T274-R284 VanDerWaalsContact O-N 3.09Å; T274-R284 WeakPolarHBondContact OG1-CD 3.46Å
275	I	97.8	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.9	-175.2	-171.5	163.3	0	0	0	110.8	L201 D224 T225 F259 L260 K263 D281 W282	L201-I275 HydrophobicContact CD1-CD1 4.08Å; L201-I275 HydrophobicContact CD1-CG1 4.27Å; L201-I275 HydrophobicContact CD1-CG2 3.78Å; D224-I275 CarbonylContact C-O 3.54Å; D224-I275 WeakPolarHBondContact CA-O 3.49Å; T225-I275 HydrophobicContact CG2-CG2 3.93Å; T225-I275 PolarHBondContact N-O 3.04Å; T225-I275 PolarHBondContact O-N 3.16Å; F259-I275 HydrophobicContact CE1-CD1 4.32Å; L260-I275 HydrophobicContact CD2-CD1 4.31Å; L260-I275 HydrophobicContact CD2-CG2 4.24Å; K263-I275 HydrophobicContact CB-CD1 4.04Å; K263-I275 HydrophobicContact CG-CD1 4.11Å; I275-D281 WeakPolarHBondContact CA-O 3.07Å; I275-W282 HydrophobicContact CB-CE3 3.82Å; I275-W282 HydrophobicContact CB-CH2 4.4Å; I275-W282 HydrophobicContact CB-CZ3 3.69Å; I275-W282 HydrophobicContact CD1-CE3 4.34Å; I275-W282 HydrophobicContact CD1-CH2 3.95Å; I275-W282 HydrophobicContact CD1-CZ2 4.14Å; I275-W282 HydrophobicContact CD1-CZ3 4.06Å; I275-W282 HydrophobicContact CG1-CE3 4.3Å; I275-W282 HydrophobicContact CG1-CZ3 4.31Å; I275-W282 HydrophobicContact CG2-CZ3 4.37Å
276	N	98.1	Very high	95.9	Very high	24 Å²	24	46.4 Å²	46.4	13%	0.128	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.7	173.2	-173.6	-84.7	0	0	0	110.6	T223 D224 H278 T279 G280 D281 V283	T223-N276 WeakPolarHBondContact CB-ND2 3.32Å; T223-N276 CarbonylContact O-C 3.52Å; T223-N276 WeakPolarHBondContact O-CA 3.4Å; T223-N276 PolarHBondContact O-ND2 3.5Å; T223-N276 VanDerWaalsContact O-ND2 3.11Å; D224-N276 PolarHBondContact OD1-ND2 3Å; N276-H278 VanDerWaalsContact C-N 3.26Å; N276-H278 PolarHBondContact O-N 2.93Å; N276-H278 PolarHBondContact OD1-N 3.36Å; N276-T279 PolarHBondContact OD1-N 3.42Å; N276-T279 PolarHBondContact OD1-OG1 2.71Å; N276-G280 WeakPolarHBondContact O-CA 3.37Å; N276-G280 PolarHBondContact O-N 3.25Å; N276-D281 PolarHBondContact N-O 3.22Å; N276-V283 HydrophobicContact CB-CG2 4.12Å
277	I	97.1	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.2	-174.2	73.7	-164.6	0	0	0	113.9	T197 S199 L201 Y203 E222 T223 T225	T197-I277 WeakPolarHBondContact CB-O 3.25Å; T197-I277 HydrophobicContact CG2-CB 4.06Å; T197-I277 HydrophobicContact CG2-CD1 3.69Å; T197-I277 HydrophobicContact CG2-CG1 3.73Å; T197-I277 PolarHBondContact OG1-O 2.88Å; S199-I277 WeakPolarHBondContact CB-O 3.41Å; S199-I277 PolarHBondContact N-O 3.16Å; S199-I277 PolarHBondContact OG-O 3.31Å; L201-I277 HydrophobicContact CB-CB 4.3Å; L201-I277 HydrophobicContact CB-CG2 4.19Å; Y203-I277 HydrophobicContact CD1-CD1 3.41Å; Y203-I277 VanDerWaalsContact CD1-CD1 3.41Å; Y203-I277 HydrophobicContact CD2-CD1 4.46Å; Y203-I277 HydrophobicContact CE1-CD1 3.59Å; Y203-I277 HydrophobicContact CG-CD1 3.87Å; E222-I277 VanDerWaalsContact O-CD1 3.22Å; E222-I277 WeakPolarHBondContact O-CD1 3.3Å; T223-I277 WeakPolarHBondContact O-CG1 3.22Å; T223-I277 PolarHBondContact O-N 3.1Å; T225-I277 HydrophobicContact CG2-CG2 3.45Å; T225-I277 VanDerWaalsContact CG2-CG2 3.45Å
278	H	95.2	Very high	96.3	Very high	65 Å²	65	31.7 Å²	31.7	30%	0.301	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-41.7	178.1	-67.9	-74.6	0	0	0	113	T198 Y203 N276	T198-H278 WeakPolarHBondContact CB-O 3.19Å; T198-H278 PolarHBondContact OG1-ND1 2.69Å; Y203-H278 AromaticContact CZ-NE2 3.96Å; Y203-H278 PolarHBondContact OH-CE1 2.87Å; Y203-H278 PolarHBondContact OH-NE2 2.9Å; N276-H278 VanDerWaalsContact C-N 3.26Å; N276-H278 PolarHBondContact O-N 2.93Å; N276-H278 PolarHBondContact OD1-N 3.36Å
279	T	96.3	Very high	96.3	Very high	73 Å²	73	31.6 Å²	31.6	45%	0.448	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-26.4	176	70.7	0	0	0	0	112.9	K263 N276 D281	K263-T279 PolarHBondContact NZ-O 3.14Å; N276-T279 PolarHBondContact OD1-N 3.42Å; N276-T279 PolarHBondContact OD1-OG1 2.71Å; T279-D281 VanDerWaalsContact C-N 3.35Å; T279-D281 WeakPolarHBondContact CB-OD2 3.39Å; T279-D281 WeakPolarHBondContact OG1-CB 3.4Å; T279-D281 VanDerWaalsContact OG1-CG 3.24Å; T279-D281 PolarHBondContact OG1-N 3.43Å; T279-D281 VanDerWaalsContact OG1-N 3.14Å; T279-D281 PolarHBondContact OG1-OD2 3.24Å
280	G	95.6	Very high	96.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	15%	0.15	C	C	.	.			trans	70.3	28.2	-169.1	0	0	0	0	0	113.5	K263 N276	K263-G280 VanDerWaalsContact CD-O 3.24Å; K263-G280 WeakPolarHBondContact CD-O 3.45Å; K263-G280 VanDerWaalsContact CE-O 3.27Å; K263-G280 WeakPolarHBondContact CE-O 3.21Å; K263-G280 VanDerWaalsContact NZ-C 3.32Å; K263-G280 PolarHBondContact NZ-O 3.41Å; N276-G280 WeakPolarHBondContact O-CA 3.37Å; N276-G280 PolarHBondContact O-N 3.25Å
281	D	96.5	Very high	95.7	Very high	94 Å²	94	31.2 Å²	31.2	50%	0.503	16%	0.163	S	C	.	.			trans	-86.8	142	173.4	-65.7	-52.4	0	0	0	111.5	I275 N276 T279 V283	I275-D281 WeakPolarHBondContact CA-O 3.07Å; N276-D281 PolarHBondContact N-O 3.22Å; T279-D281 VanDerWaalsContact C-N 3.35Å; T279-D281 WeakPolarHBondContact CB-OD2 3.39Å; T279-D281 WeakPolarHBondContact OG1-CB 3.4Å; T279-D281 VanDerWaalsContact OG1-CG 3.24Å; T279-D281 PolarHBondContact OG1-N 3.43Å; T279-D281 VanDerWaalsContact OG1-N 3.14Å; T279-D281 PolarHBondContact OG1-OD2 3.24Å; D281-V283 PolarHBondContact O-N 2.78Å; D281-V283 VanDerWaalsContact O-N 3.13Å
282	W	97	Very high	95.5	Very high	21 Å²	21	31.9 Å²	31.9	8%	0.08	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	105.6	173.5	-63.2	110.9	0	0	0	110.7	T227 L260 K263 V271 G272 T274 I275 K285 I338	T227-W282 WeakPolarHBondContact OG1-CZ3 3.41Å; L260-W282 HydrophobicContact CD2-CH2 4.37Å; K263-W282 HydrophobicContact CB-CZ2 4.03Å; K263-W282 PolarHBondContact O-NE1 2.79Å; V271-W282 HydrophobicContact CB-CH2 3.64Å; V271-W282 HydrophobicContact CB-CZ2 3.84Å; V271-W282 HydrophobicContact CB-CZ3 4.42Å; V271-W282 HydrophobicContact CG1-CH2 3.99Å; V271-W282 HydrophobicContact CG1-CZ2 3.87Å; G272-W282 VanDerWaalsContact N-CE3 3.28Å; G272-W282 VanDerWaalsContact N-CZ3 3.27Å; G272-W282 WeakPolarHBondContact O-CZ3 3.45Å; T274-W282 CarbonylContact O-C 3.52Å; I275-W282 HydrophobicContact CB-CE3 3.82Å; I275-W282 HydrophobicContact CB-CH2 4.4Å; I275-W282 HydrophobicContact CB-CZ3 3.69Å; I275-W282 HydrophobicContact CD1-CE3 4.34Å; I275-W282 HydrophobicContact CD1-CH2 3.95Å; I275-W282 HydrophobicContact CD1-CZ2 4.14Å; I275-W282 HydrophobicContact CD1-CZ3 4.06Å; I275-W282 HydrophobicContact CG1-CE3 4.3Å; I275-W282 HydrophobicContact CG1-CZ3 4.31Å; I275-W282 HydrophobicContact CG2-CZ3 4.37Å; W282-K285 HydrophobicContact CB-CG 3.82Å; W282-K285 WeakPolarHBondContact O-CE 3.27Å; W282-K285 WeakPolarHBondContact O-CG 3.48Å; W282-I338 HydrophobicContact CB-CD1 4.08Å; W282-I338 HydrophobicContact CD2-CD1 4.31Å; W282-I338 HydrophobicContact CG-CD1 3.7Å
283	V	95.5	Very high	95.5	Very high	77 Å²	77	31.9 Å²	31.9	47%	0.467	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-46.6	173.9	-178.8	0	0	0	0	109.6	T274 N276 D281	T274-V283 HydrophobicContact CG2-CB 4.38Å; T274-V283 PolarHBondContact O-N 3.36Å; N276-V283 HydrophobicContact CB-CG2 4.12Å; D281-V283 PolarHBondContact O-N 2.78Å; D281-V283 VanDerWaalsContact O-N 3.13Å
284	R	93.1	Very high	95.6	Very high	105 Å²	105	32.6 Å²	32.6	40%	0.396	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.7	170.8	-75.1	-171.3	57.7	-170.3	-2.5	110.3	G272 V273 T274 D286	G272-R284 WeakPolarHBondContact CA-O 3.39Å; V273-R284 HydrophobicContact CB-CB 4.1Å; V273-R284 PolarHBondContact N-O 2.93Å; T274-R284 PolarHBondContact O-N 3.14Å; T274-R284 VanDerWaalsContact O-N 3.09Å; T274-R284 WeakPolarHBondContact OG1-CD 3.46Å; R284-D286 WeakPolarHBondContact CB-OD1 3.38Å; R284-D286 IonicContact CZ-OD1 2.69Å; R284-D286 IonicContact CZ-OD2 2.85Å; R284-D286 IonicContact NE-OD1 3.52Å; R284-D286 PolarHBondContact NE-OD1 3.37Å; R284-D286 IonicContact NE-OD2 2.72Å; R284-D286 IonicContact NH2-OD1 2.63Å; R284-D286 IonicContact NH2-OD2 3.84Å; R284-D286 PolarHBondContact NH2-OD2 3.14Å
285	K	95.3	Very high	95.6	Very high	102 Å²	102	31.5 Å²	31.5	44%	0.443	17%	0.168	S	C	.	.			trans	-101.9	6.8	-171.3	-61.9	176.8	-179.6	-171.4	0	113.2	W282 H337 I338	W282-K285 HydrophobicContact CB-CG 3.82Å; W282-K285 WeakPolarHBondContact O-CE 3.27Å; W282-K285 WeakPolarHBondContact O-CG 3.48Å; K285-H337 WeakPolarHBondContact O-CA 3.15Å; K285-I338 HydrophobicContact CB-CD1 4.37Å; K285-I338 HydrophobicContact CB-CG1 4.38Å; K285-I338 HydrophobicContact CG-CD1 4.46Å; K285-I338 PolarHBondContact O-N 2.99Å
286	D	94.4	Very high	95.6	Very high	21 Å²	21	31.5 Å²	31.5	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	152.2	160.1	57.7	-52.3	0	0	0	110.7	G272 V273 R284 V336 A345 R346	G272-D286 CarbonylContact C-O 3.57Å; G272-D286 WeakPolarHBondContact CA-O 3.14Å; V273-D286 PolarHBondContact N-O 3.12Å; V273-D286 VanDerWaalsContact N-O 3.09Å; R284-D286 WeakPolarHBondContact CB-OD1 3.38Å; R284-D286 IonicContact CZ-OD1 2.69Å; R284-D286 IonicContact CZ-OD2 2.85Å; R284-D286 IonicContact NE-OD1 3.52Å; R284-D286 PolarHBondContact NE-OD1 3.37Å; R284-D286 IonicContact NE-OD2 2.72Å; R284-D286 IonicContact NH2-OD1 2.63Å; R284-D286 IonicContact NH2-OD2 3.84Å; R284-D286 PolarHBondContact NH2-OD2 3.14Å; D286-V336 CarbonylContact C-O 3.52Å; D286-V336 WeakPolarHBondContact CA-O 3.37Å; D286-A345 HydrophobicContact CB-CB 3.53Å; D286-R346 IonicContact OD2-CZ 3.24Å; D286-R346 IonicContact OD2-NE 3.6Å; D286-R346 PolarHBondContact OD2-NE 3.31Å; D286-R346 IonicContact OD2-NH2 3.37Å; D286-R346 PolarHBondContact OD2-NH2 3.22Å
287	S	96.6	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	134.6	-175.1	-174.1	0	0	0	0	110.5	V271 D335 V336	V271-S287 WeakPolarHBondContact O-CB 3.04Å; V271-S287 PolarHBondContact O-OG 3.45Å; S287-D335 CarbonylContact O-C 3.57Å; S287-D335 WeakPolarHBondContact O-CA 3.2Å; S287-V336 PolarHBondContact N-O 3.3Å; S287-V336 PolarHBondContact O-N 2.81Å
288	G	95	Very high	95.7	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	16%	0.162	C	C	.	.			trans	-161.3	-173.5	-175.9	0	0	0	0	0	109.2
289	V	96	Very high	95.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	15%	0.148	C	C	.	.	S	Bend	trans	-91.1	-11.6	172.4	-66.3	0	0	0	0	113.2	D294 I323 I327 L333 L353 F355 F356	V289-D294 VanDerWaalsContact O-CA 3.32Å; V289-D294 WeakPolarHBondContact O-CA 3.5Å; V289-I323 HydrophobicContact CG1-CD1 4.18Å; V289-I323 HydrophobicContact CG1-CG1 4.3Å; V289-I323 HydrophobicContact CG1-CG2 3.54Å; V289-I327 HydrophobicContact CG1-CG2 4.46Å; V289-L333 HydrophobicContact CG2-CB 4Å; V289-L333 HydrophobicContact CG2-CD1 3.66Å; V289-L333 HydrophobicContact CG2-CG 4.45Å; V289-L353 HydrophobicContact CG2-CB 3.8Å; V289-F355 WeakPolarHBondContact O-CE1 3.46Å; V289-F356 HydrophobicContact CB-CD2 3.96Å; V289-F356 HydrophobicContact CB-CE2 4.34Å; V289-F356 HydrophobicContact CB-CG 4.16Å; V289-F356 HydrophobicContact CG1-CD1 4.26Å; V289-F356 HydrophobicContact CG1-CD2 3.72Å; V289-F356 HydrophobicContact CG1-CE1 4.14Å; V289-F356 HydrophobicContact CG1-CE2 3.61Å; V289-F356 HydrophobicContact CG1-CG 4.06Å; V289-F356 HydrophobicContact CG1-CZ 3.83Å; V289-F356 HydrophobicContact CG2-CG 4.41Å
290	G	93	Very high	96	Very high	5 Å²	5	23.9 Å²	23.9	5%	0.052	13%	0.126	C	C	.	.	S	Bend	trans	-86.2	-156.5	-174.6	0	0	0	0	0	114.7	G292 I293 D294 D350	G290-G292 PolarHBondContact O-N 2.87Å; G290-I293 PolarHBondContact O-N 3.13Å; G290-D294 PolarHBondContact O-N 3.11Å; G290-D350 WeakPolarHBondContact CA-OD1 3.38Å
291	A	90.1	Very high	96.1	Very high	35 Å²	35	24.1 Å²	24.1	29%	0.289	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	117.8	-165.6	0	0	0	0	0	115.3	D294 D350 L352	A291-D294 VanDerWaalsContact CA-OD2 3.22Å; A291-D294 WeakPolarHBondContact CA-OD2 3.25Å; A291-D350 PolarHBondContact N-OD1 3.27Å; A291-D350 PolarHBondContact N-OD2 3.05Å; A291-L352 HydrophobicContact CB-CD1 4.31Å; A291-L352 HydrophobicContact CB-CD2 4.1Å
292	G	92.7	Very high	96.1	Very high	14 Å²	14	19.9 Å²	19.9	14%	0.144	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	-1.5	175.8	0	0	0	0	0	114.9	T227 A228 G290 D294	T227-G292 PolarHBondContact N-O 2.89Å; T227-G292 VanDerWaalsContact N-O 3.14Å; A228-G292 PolarHBondContact N-O 3.09Å; G290-G292 PolarHBondContact O-N 2.87Å; G292-D294 PolarHBondContact N-OD2 2.83Å
293	I	97.3	Very high	96.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-50.4	171.2	-50.9	179	0	0	0	110.5	T227 V271 V273 G290 S295 Y296 Y297	T227-I293 HydrophobicContact CG2-CG2 4.15Å; V271-I293 HydrophobicContact CG2-CG2 3.92Å; V273-I293 HydrophobicContact CB-CD1 4.49Å; V273-I293 HydrophobicContact CB-CG1 4.43Å; V273-I293 HydrophobicContact CG2-CD1 3.76Å; V273-I293 HydrophobicContact CG2-CG1 3.98Å; G290-I293 PolarHBondContact O-N 3.13Å; I293-S295 PolarHBondContact O-N 2.66Å; I293-Y296 HydrophobicContact CG2-CD1 4.42Å; I293-Y296 VanDerWaalsContact O-CB 3.31Å; I293-Y296 WeakPolarHBondContact O-CB 3.41Å; I293-Y296 PolarHBondContact O-N 3.22Å; I293-Y297 HydrophobicContact CB-CE2 4.34Å; I293-Y297 HydrophobicContact CG2-CD2 3.94Å; I293-Y297 HydrophobicContact CG2-CE1 4.33Å; I293-Y297 HydrophobicContact CG2-CE2 3.33Å
294	D	97.2	Very high	96	Very high	19 Å²	19	17.5 Å²	17.5	10%	0.102	9%	0.087	C	C	.	.	H	α-helix	trans	13.5	-91	165.2	45.4	64.9	0	0	0	116.8	A228 V289 G290 A291 G292 Y296 Y297 E298 F355	A228-D294 VanDerWaalsContact CB-OD1 3.3Å; A228-D294 WeakPolarHBondContact CB-OD1 3.29Å; V289-D294 VanDerWaalsContact O-CA 3.32Å; V289-D294 WeakPolarHBondContact O-CA 3.5Å; G290-D294 PolarHBondContact O-N 3.11Å; A291-D294 VanDerWaalsContact CA-OD2 3.22Å; A291-D294 WeakPolarHBondContact CA-OD2 3.25Å; G292-D294 PolarHBondContact N-OD2 2.83Å; D294-Y296 VanDerWaalsContact C-N 3.3Å; D294-Y296 PolarHBondContact O-N 2.86Å; D294-Y297 PolarHBondContact O-N 2.78Å; D294-Y297 VanDerWaalsContact O-N 3.17Å; D294-E298 PolarHBondContact O-N 2.66Å; D294-F355 HydrophobicContact CB-CE1 3.91Å; D294-F355 HydrophobicContact CB-CZ 4.06Å; D294-F355 WeakPolarHBondContact O-CZ 3.12Å
295	S	98.1	Very high	96.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-71.6	-13.7	-170.5	54.7	0	0	0	0	114.5	A228 T232 I293 E298 Y299 T492	A228-S295 WeakPolarHBondContact CB-OG 3.3Å; T232-S295 WeakPolarHBondContact CG2-OG 3.48Å; T232-S295 VanDerWaalsContact OG1-C 3.25Å; T232-S295 WeakPolarHBondContact OG1-CB 3.45Å; T232-S295 PolarHBondContact OG1-O 3.25Å; T232-S295 PolarHBondContact OG1-OG 2.82Å; I293-S295 PolarHBondContact O-N 2.66Å; S295-E298 WeakPolarHBondContact O-CB 3.32Å; S295-E298 PolarHBondContact O-N 3.16Å; S295-Y299 WeakPolarHBondContact O-CB 3.34Å; S295-Y299 WeakPolarHBondContact O-CD1 3.25Å; S295-Y299 PolarHBondContact O-N 2.9Å; S295-T492 WeakPolarHBondContact CB-OG1 3.28Å
296	Y	98.5	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.2	-44.7	166.8	162.1	-103.2	0	0	0	110.9	T227 T232 L257 L260 V271 I293 D294 E298 Y299 L300	T227-Y296 HydrophobicContact CG2-CD1 3.84Å; T227-Y296 HydrophobicContact CG2-CD2 4.36Å; T227-Y296 HydrophobicContact CG2-CE1 4.39Å; T227-Y296 HydrophobicContact CG2-CG 3.82Å; T232-Y296 PolarHBondContact OG1-N 3.41Å; L257-Y296 HydrophobicContact CD2-CD2 3.59Å; L257-Y296 HydrophobicContact CD2-CE2 3.53Å; L260-Y296 HydrophobicContact CB-CE2 3.98Å; L260-Y296 HydrophobicContact CD1-CD2 3.9Å; L260-Y296 HydrophobicContact CD1-CE2 3.87Å; V271-Y296 HydrophobicContact CG1-CE1 4.43Å; V271-Y296 HydrophobicContact CG2-CD1 4.26Å; V271-Y296 HydrophobicContact CG2-CE1 3.98Å; I293-Y296 HydrophobicContact CG2-CD1 4.42Å; I293-Y296 VanDerWaalsContact O-CB 3.31Å; I293-Y296 WeakPolarHBondContact O-CB 3.41Å; I293-Y296 PolarHBondContact O-N 3.22Å; D294-Y296 VanDerWaalsContact C-N 3.3Å; D294-Y296 PolarHBondContact O-N 2.86Å; Y296-E298 VanDerWaalsContact C-N 3.32Å; Y296-Y299 PolarHBondContact O-N 2.79Å; Y296-L300 HydrophobicContact CE1-CD1 4.06Å; Y296-L300 HydrophobicContact CE2-CD1 4.28Å; Y296-L300 HydrophobicContact CE2-CG 4.47Å; Y296-L300 WeakPolarHBondContact O-CG 3.23Å; Y296-L300 PolarHBondContact O-N 2.7Å
297	Y	98.4	Very high	95.8	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.5	-38.1	176.8	-61.7	-48.4	0	0	0	111.5	V271 I293 D294 L300 L301 F316 H319 I323	V271-Y297 HydrophobicContact CG2-CE1 4.1Å; V271-Y297 WeakPolarHBondContact CG2-OH 3.33Å; I293-Y297 HydrophobicContact CB-CE2 4.34Å; I293-Y297 HydrophobicContact CG2-CD2 3.94Å; I293-Y297 HydrophobicContact CG2-CE1 4.33Å; I293-Y297 HydrophobicContact CG2-CE2 3.33Å; D294-Y297 PolarHBondContact O-N 2.78Å; D294-Y297 VanDerWaalsContact O-N 3.17Å; Y297-L300 PolarHBondContact O-N 3.27Å; Y297-L301 PolarHBondContact O-N 3.18Å; Y297-F316 WeakPolarHBondContact O-CD2 3.14Å; Y297-H319 HydrophobicContact CD1-CB 3.82Å; Y297-H319 HydrophobicContact CE1-CB 3.6Å; Y297-H319 AromaticContact CE1-CG 3.67Å; Y297-I323 HydrophobicContact CD1-CD1 4.27Å; Y297-I323 HydrophobicContact CD2-CD1 3.83Å; Y297-I323 HydrophobicContact CE1-CD1 4.15Å; Y297-I323 HydrophobicContact CE2-CD1 3.66Å; Y297-I323 HydrophobicContact CE2-CG1 4.33Å; Y297-I323 HydrophobicContact CG-CD1 4.12Å
298	E	98.6	Very high	95.4	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.009	7%	0.073	C	C	.	.	H	α-helix	trans	-58.3	-48	174.5	-159.4	-152.8	121.4	0	0	111.8	D294 S295 Y296 L300 L301 K302 F355 L359 T492	D294-E298 PolarHBondContact O-N 2.66Å; S295-E298 WeakPolarHBondContact O-CB 3.32Å; S295-E298 PolarHBondContact O-N 3.16Å; Y296-E298 VanDerWaalsContact C-N 3.32Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.32Å; E298-L301 PolarHBondContact O-N 3.5Å; E298-K302 HydrophobicContact CG-CD 3.87Å; E298-K302 WeakPolarHBondContact O-CB 3.14Å; E298-K302 WeakPolarHBondContact O-CG 3.49Å; E298-K302 PolarHBondContact O-N 2.67Å; E298-K302 VanDerWaalsContact OE1-CD 3.24Å; E298-K302 WeakPolarHBondContact OE1-CD 3.36Å; E298-K302 WeakPolarHBondContact OE1-CE 3.21Å; E298-K302 IonicContact OE1-NZ 3.86Å; E298-K302 PolarHBondContact OE1-NZ 2.78Å; E298-F355 HydrophobicContact CB-CE2 3.99Å; E298-F355 HydrophobicContact CG-CD2 4.37Å; E298-F355 HydrophobicContact CG-CE2 4.19Å; E298-L359 HydrophobicContact CB-CD1 4.45Å; E298-L359 HydrophobicContact CB-CD2 4.36Å; E298-L359 HydrophobicContact CG-CD1 4.2Å; E298-T492 VanDerWaalsContact OE1-CA 3.26Å; E298-T492 WeakPolarHBondContact OE1-CA 3.27Å; E298-T492 WeakPolarHBondContact OE1-CB 3.22Å; E298-T492 PolarHBondContact OE1-N 3.05Å; E298-T492 VanDerWaalsContact OE2-CB 3.22Å; E298-T492 WeakPolarHBondContact OE2-CB 3.48Å; E298-T492 PolarHBondContact OE2-OG1 3.47Å
299	Y	98.6	Very high	95.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-73.6	-23.6	-175.4	-86.3	35.4	0	0	0	112.5	T232 I234 L235 E236 S295 Y296 A303 T491 T492	T232-Y299 VanDerWaalsContact CA-CD2 3.48Å; T232-Y299 HydrophobicContact CG2-CD1 3.87Å; T232-Y299 HydrophobicContact CG2-CD2 3.78Å; T232-Y299 HydrophobicContact CG2-CE1 3.63Å; T232-Y299 HydrophobicContact CG2-CE2 3.51Å; T232-Y299 HydrophobicContact CG2-CG 3.96Å; T232-Y299 VanDerWaalsContact CG2-CZ 3.43Å; I234-Y299 HydrophobicContact CG2-CD2 3.94Å; I234-Y299 HydrophobicContact CG2-CG 4.45Å; L235-Y299 HydrophobicContact CB-CD2 4.28Å; L235-Y299 HydrophobicContact CB-CE2 3.84Å; L235-Y299 HydrophobicContact CD1-CD1 3.85Å; L235-Y299 HydrophobicContact CD1-CD2 4.12Å; L235-Y299 HydrophobicContact CD1-CE1 3.55Å; L235-Y299 HydrophobicContact CD1-CE2 3.86Å; L235-Y299 HydrophobicContact CD1-CG 4.12Å; L235-Y299 HydrophobicContact CG-CD1 4.29Å; L235-Y299 HydrophobicContact CG-CD2 3.7Å; L235-Y299 HydrophobicContact CG-CE1 4.22Å; L235-Y299 HydrophobicContact CG-CE2 3.65Å; L235-Y299 HydrophobicContact CG-CG 4.03Å; E236-Y299 PolarHBondContact OE1-OH 2.97Å; E236-Y299 WeakPolarHBondContact OE2-CE2 3.02Å; S295-Y299 WeakPolarHBondContact O-CB 3.34Å; S295-Y299 WeakPolarHBondContact O-CD1 3.25Å; S295-Y299 PolarHBondContact O-N 2.9Å; Y296-Y299 PolarHBondContact O-N 2.79Å; Y299-A303 WeakPolarHBondContact O-CA 3.42Å; Y299-A303 WeakPolarHBondContact O-CB 3.48Å; Y299-A303 PolarHBondContact O-N 2.87Å; Y299-T491 WeakPolarHBondContact OH-CB 3.48Å; Y299-T492 HydrophobicContact CE1-CG2 4.26Å; Y299-T492 PolarHBondContact OH-N 2.88Å
300	L	98.3	Very high	94.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-51.6	167.7	-66.5	173.8	0	0	0	111	L257 Y296 Y297 E298 Y304 F312 R315 F316	L257-L300 HydrophobicContact CD2-CD2 4.41Å; Y296-L300 HydrophobicContact CE1-CD1 4.06Å; Y296-L300 HydrophobicContact CE2-CD1 4.28Å; Y296-L300 HydrophobicContact CE2-CG 4.47Å; Y296-L300 WeakPolarHBondContact O-CG 3.23Å; Y296-L300 PolarHBondContact O-N 2.7Å; Y297-L300 PolarHBondContact O-N 3.27Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 3.32Å; L300-Y304 PolarHBondContact O-N 3.08Å; L300-F312 HydrophobicContact CD2-CD1 4.04Å; L300-F312 VanDerWaalsContact O-CB 3.3Å; L300-F312 WeakPolarHBondContact O-CB 3.39Å; L300-R315 HydrophobicContact CD1-CB 4.04Å; L300-R315 HydrophobicContact CD2-CB 4.04Å; L300-F316 HydrophobicContact CB-CB 3.82Å
301	L	97.4	Very high	94.9	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-44.8	178.7	-175.8	58.5	0	0	0	112.1	Y297 E298 A303 Y304 V305 L313 F316 L359 L362 K363	Y297-L301 PolarHBondContact O-N 3.18Å; E298-L301 PolarHBondContact O-N 3.5Å; L301-A303 VanDerWaalsContact C-N 3.34Å; L301-A303 PolarHBondContact O-N 2.93Å; L301-Y304 WeakPolarHBondContact O-CB 3.42Å; L301-Y304 PolarHBondContact O-N 3.44Å; L301-V305 WeakPolarHBondContact O-CG2 3.21Å; L301-V305 PolarHBondContact O-N 3.34Å; L301-L313 HydrophobicContact CD1-CD1 3.86Å; L301-F316 HydrophobicContact CB-CD1 3.92Å; L301-F316 HydrophobicContact CB-CD2 3.91Å; L301-F316 HydrophobicContact CB-CE1 4.04Å; L301-F316 HydrophobicContact CB-CE2 4.06Å; L301-F316 HydrophobicContact CB-CG 3.84Å; L301-F316 HydrophobicContact CB-CZ 4.12Å; L301-F316 HydrophobicContact CD1-CD1 3.82Å; L301-F316 HydrophobicContact CD1-CE1 3.96Å; L301-F316 HydrophobicContact CD1-CG 4.49Å; L301-F316 HydrophobicContact CD2-CD1 4.31Å; L301-F316 HydrophobicContact CD2-CE1 3.69Å; L301-F316 HydrophobicContact CD2-CZ 3.82Å; L301-F316 HydrophobicContact CG-CD1 4.22Å; L301-F316 HydrophobicContact CG-CE1 4.1Å; L301-F316 HydrophobicContact CG-CZ 4.44Å; L301-L359 HydrophobicContact CB-CD1 4.12Å; L301-L359 HydrophobicContact CD2-CD1 3.87Å; L301-L362 HydrophobicContact CD2-CB 3.92Å; L301-L362 HydrophobicContact CD2-CD2 3.92Å; L301-L362 HydrophobicContact CD2-CG 3.7Å; L301-L362 HydrophobicContact CG-CD2 4.19Å; L301-L362 HydrophobicContact CG-CG 4.28Å; L301-K363 HydrophobicContact CD2-CB 4.25Å
302	K	97.4	Very high	95.2	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-31	-179.2	-68.9	-177.9	172.8	-178.9	0	112.5	L235 E298 V305 L306 L362 I489 F490 T491	L235-K302 HydrophobicContact CD1-CB 3.85Å; L235-K302 HydrophobicContact CD1-CD 4.25Å; L235-K302 HydrophobicContact CD2-CB 4.14Å; E298-K302 HydrophobicContact CG-CD 3.87Å; E298-K302 WeakPolarHBondContact O-CB 3.14Å; E298-K302 WeakPolarHBondContact O-CG 3.49Å; E298-K302 PolarHBondContact O-N 2.67Å; E298-K302 VanDerWaalsContact OE1-CD 3.24Å; E298-K302 WeakPolarHBondContact OE1-CD 3.36Å; E298-K302 WeakPolarHBondContact OE1-CE 3.21Å; E298-K302 IonicContact OE1-NZ 3.86Å; E298-K302 PolarHBondContact OE1-NZ 2.78Å; K302-V305 PolarHBondContact O-N 2.88Å; K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 2.96Å; K302-L362 HydrophobicContact CG-CD2 3.97Å; K302-I489 HydrophobicContact CB-CG1 4.22Å; K302-I489 HydrophobicContact CD-CG1 4.39Å; K302-I489 HydrophobicContact CG-CD1 4.21Å; K302-I489 HydrophobicContact CG-CG1 4.17Å; K302-F490 WeakPolarHBondContact CD-O 3.13Å; K302-F490 VanDerWaalsContact CE-O 3.23Å; K302-F490 WeakPolarHBondContact CE-O 3.5Å; K302-F490 PolarHBondContact NZ-O 3.04Å; K302-T491 PolarHBondContact NZ-O 2.84Å
303	A	96.2	Very high	95.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-71.9	-34.2	174.6	0	0	0	0	0	112.6	I234 L235 Y299 L301 L307 F312	I234-A303 HydrophobicContact CG1-CB 4.39Å; I234-A303 HydrophobicContact CG2-CB 3.9Å; L235-A303 HydrophobicContact CD2-CB 4.1Å; Y299-A303 WeakPolarHBondContact O-CA 3.42Å; Y299-A303 WeakPolarHBondContact O-CB 3.48Å; Y299-A303 PolarHBondContact O-N 2.87Å; L301-A303 VanDerWaalsContact C-N 3.34Å; L301-A303 PolarHBondContact O-N 2.93Å; A303-L307 HydrophobicContact CB-CD1 4.35Å; A303-L307 VanDerWaalsContact O-CB 3.23Å; A303-L307 WeakPolarHBondContact O-CB 3.23Å; A303-L307 WeakPolarHBondContact O-CG 3.48Å; A303-L307 PolarHBondContact O-N 3.07Å; A303-F312 HydrophobicContact CB-CB 4.41Å; A303-F312 HydrophobicContact CB-CD1 4.21Å; A303-F312 HydrophobicContact CB-CD2 3.86Å; A303-F312 HydrophobicContact CB-CE1 4.43Å; A303-F312 HydrophobicContact CB-CE2 4.11Å; A303-F312 HydrophobicContact CB-CG 3.92Å; A303-F312 HydrophobicContact CB-CZ 4.38Å
304	Y	95	Very high	95.2	Very high	48 Å²	48	21.6 Å²	21.6	19%	0.188	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-50.4	168.2	167.1	-109.6	0	0	0	110.8	L300 L301 L306 G308 L313	L300-Y304 PolarHBondContact O-N 3.08Å; L301-Y304 WeakPolarHBondContact O-CB 3.42Å; L301-Y304 PolarHBondContact O-N 3.44Å; Y304-L306 PolarHBondContact O-N 2.72Å; Y304-G308 WeakPolarHBondContact O-CA 3.22Å; Y304-G308 PolarHBondContact O-N 3.38Å; Y304-L313 HydrophobicContact CD1-CB 4.18Å; Y304-L313 HydrophobicContact CD1-CD1 4.04Å; Y304-L313 HydrophobicContact CD1-CD2 4.11Å; Y304-L313 HydrophobicContact CD1-CG 4.35Å; Y304-L313 HydrophobicContact CD2-CB 3.79Å; Y304-L313 HydrophobicContact CD2-CD2 4.3Å; Y304-L313 HydrophobicContact CE1-CD1 4.35Å; Y304-L313 HydrophobicContact CE1-CD2 3.77Å; Y304-L313 HydrophobicContact CE1-CG 4.48Å; Y304-L313 HydrophobicContact CE2-CB 4.26Å; Y304-L313 HydrophobicContact CE2-CD2 3.97Å; Y304-L313 HydrophobicContact CG-CB 3.74Å; Y304-L313 HydrophobicContact CG-CD1 4.42Å; Y304-L313 HydrophobicContact CG-CD2 4.37Å; Y304-L313 HydrophobicContact CG-CG 4.41Å
305	V	93.3	Very high	95.2	Very high	41 Å²	41	21.9 Å²	21.9	25%	0.248	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-43.3	-179.9	176.6	0	0	0	0	112.1	L301 K302 I489 L499	L301-V305 WeakPolarHBondContact O-CG2 3.21Å; L301-V305 PolarHBondContact O-N 3.34Å; K302-V305 PolarHBondContact O-N 2.88Å; V305-I489 HydrophobicContact CG1-CD1 4.23Å; V305-L499 HydrophobicContact CG1-CD2 3.93Å
306	L	93.8	Very high	95.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-76.3	-38.2	-178.1	-174.9	58.8	0	0	0	113.5	L235 K302 Y304 I489 L497 L501 S502	L235-L306 HydrophobicContact CB-CD2 4.41Å; L235-L306 HydrophobicContact CD2-CB 4.33Å; L235-L306 HydrophobicContact CD2-CD2 3.91Å; K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 2.96Å; Y304-L306 PolarHBondContact O-N 2.72Å; L306-I489 HydrophobicContact CB-CG2 4.27Å; L306-I489 HydrophobicContact CD1-CG2 3.98Å; L306-I489 HydrophobicContact CD2-CG2 4.32Å; L306-I489 HydrophobicContact CG-CG2 4.41Å; L306-L497 HydrophobicContact CD2-CD1 4.11Å; L306-L501 HydrophobicContact CD1-CB 4.12Å; L306-L501 HydrophobicContact CD1-CD1 4.41Å; L306-S502 WeakPolarHBondContact O-CA 3.4Å; L306-S502 WeakPolarHBondContact O-CB 3.47Å; L306-S502 PolarHBondContact O-N 2.92Å
307	L	91.6	Very high	95.1	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-103.7	-20	-168.5	-53.6	179.9	0	0	0	113.8	I234 A238 A303 D309 F312	I234-L307 HydrophobicContact CG1-CD1 4.21Å; A238-L307 HydrophobicContact CB-CD1 3.98Å; A238-L307 HydrophobicContact CB-CD2 3.66Å; A238-L307 HydrophobicContact CB-CG 4.44Å; A303-L307 HydrophobicContact CB-CD1 4.35Å; A303-L307 VanDerWaalsContact O-CB 3.23Å; A303-L307 WeakPolarHBondContact O-CB 3.23Å; A303-L307 WeakPolarHBondContact O-CG 3.48Å; A303-L307 PolarHBondContact O-N 3.07Å; L307-D309 HydrophobicContact CB-CB 4.43Å; L307-F312 HydrophobicContact CD1-CE2 3.86Å; L307-F312 HydrophobicContact CD1-CZ 4.42Å
308	G	87.9	Confident	95.1	Very high	35 Å²	35	24.5 Å²	24.5	36%	0.361	14%	0.135	S	C	.	.			trans	70.7	34.9	-176.3	0	0	0	0	0	113.3	Y304	Y304-G308 WeakPolarHBondContact O-CA 3.22Å; Y304-G308 PolarHBondContact O-N 3.38Å
309	D	89.6	Confident	95.1	Very high	40 Å²	40	24.4 Å²	24.4	21%	0.214	14%	0.135	C	C	.	.			trans	-116.1	102.6	-173.4	179.1	-19	0	0	0	110.3	R254 L307 S311 F312	R254-D309 IonicContact CZ-OD2 3.68Å; R254-D309 VanDerWaalsContact CZ-OD2 3.26Å; R254-D309 IonicContact NH1-OD2 3.44Å; R254-D309 PolarHBondContact NH1-OD2 2.83Å; R254-D309 IonicContact NH2-OD2 2.7Å; R254-D309 PolarHBondContact NH2-OD2 3.21Å; L307-D309 HydrophobicContact CB-CB 4.43Å; D309-S311 PolarHBondContact O-N 3.34Å; D309-S311 WeakPolarHBondContact OD1-CB 3.43Å; D309-S311 PolarHBondContact OD1-N 2.66Å; D309-S311 VanDerWaalsContact OD1-N 3.12Å; D309-S311 PolarHBondContact OD1-OG 3.41Å; D309-F312 HydrophobicContact CB-CD2 3.8Å; D309-F312 HydrophobicContact CB-CE2 3.98Å; D309-F312 PolarHBondContact O-N 2.76Å; D309-F312 VanDerWaalsContact O-N 3.1Å
310	D	90.2	Very high	95	Very high	87 Å²	87	24.7 Å²	24.7	47%	0.465	14%	0.136	S	C	.	.	H	α-helix	trans	-52.5	-27	-175.7	-58.3	-24.1	0	0	0	113.5	F312 L313 E314 W527	D310-F312 VanDerWaalsContact C-N 3.26Å; D310-F312 PolarHBondContact O-N 2.76Å; D310-L313 WeakPolarHBondContact O-CB 3.24Å; D310-L313 PolarHBondContact O-N 2.95Å; D310-L313 VanDerWaalsContact O-N 3.08Å; D310-E314 PolarHBondContact O-N 3.21Å; D310-W527 HydrophobicContact CB-CH2 3.93Å; D310-W527 HydrophobicContact CB-CZ3 3.73Å
311	S	93.6	Very high	94.9	Very high	33 Å²	33	29.8 Å²	29.8	23%	0.231	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-25.4	-178.5	74.3	0	0	0	0	113	D309 R315	D309-S311 PolarHBondContact O-N 3.34Å; D309-S311 WeakPolarHBondContact OD1-CB 3.43Å; D309-S311 PolarHBondContact OD1-N 2.66Å; D309-S311 VanDerWaalsContact OD1-N 3.12Å; D309-S311 PolarHBondContact OD1-OG 3.41Å; S311-R315 WeakPolarHBondContact O-CD 3.42Å; S311-R315 WeakPolarHBondContact O-CG 3.26Å; S311-R315 PolarHBondContact O-N 2.88Å; S311-R315 PolarHBondContact O-NE 3Å
312	F	96.1	Very high	94.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-75	-33.3	172.1	-63.3	-66.9	0	0	0	112.1	I234 L257 L300 A303 L307 D309 D310 F316	I234-F312 HydrophobicContact CD1-CZ 4.43Å; I234-F312 HydrophobicContact CG1-CE1 4.46Å; I234-F312 HydrophobicContact CG1-CZ 4.08Å; L257-F312 HydrophobicContact CD1-CD1 4.48Å; L257-F312 HydrophobicContact CD1-CE1 3.82Å; L300-F312 HydrophobicContact CD2-CD1 4.04Å; L300-F312 VanDerWaalsContact O-CB 3.3Å; L300-F312 WeakPolarHBondContact O-CB 3.39Å; A303-F312 HydrophobicContact CB-CB 4.41Å; A303-F312 HydrophobicContact CB-CD1 4.21Å; A303-F312 HydrophobicContact CB-CD2 3.86Å; A303-F312 HydrophobicContact CB-CE1 4.43Å; A303-F312 HydrophobicContact CB-CE2 4.11Å; A303-F312 HydrophobicContact CB-CG 3.92Å; A303-F312 HydrophobicContact CB-CZ 4.38Å; L307-F312 HydrophobicContact CD1-CE2 3.86Å; L307-F312 HydrophobicContact CD1-CZ 4.42Å; D309-F312 HydrophobicContact CB-CD2 3.8Å; D309-F312 HydrophobicContact CB-CE2 3.98Å; D309-F312 PolarHBondContact O-N 2.76Å; D309-F312 VanDerWaalsContact O-N 3.1Å; D310-F312 VanDerWaalsContact C-N 3.26Å; D310-F312 PolarHBondContact O-N 2.76Å; F312-F316 WeakPolarHBondContact O-CB 3.22Å; F312-F316 PolarHBondContact O-N 2.66Å
313	L	94.5	Very high	94.9	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-70.5	-42.5	176.9	-174.6	64	0	0	0	111.9	L301 Y304 D310 R315 F316 N317 D526 W527	L301-L313 HydrophobicContact CD1-CD1 3.86Å; Y304-L313 HydrophobicContact CD1-CB 4.18Å; Y304-L313 HydrophobicContact CD1-CD1 4.04Å; Y304-L313 HydrophobicContact CD1-CD2 4.11Å; Y304-L313 HydrophobicContact CD1-CG 4.35Å; Y304-L313 HydrophobicContact CD2-CB 3.79Å; Y304-L313 HydrophobicContact CD2-CD2 4.3Å; Y304-L313 HydrophobicContact CE1-CD1 4.35Å; Y304-L313 HydrophobicContact CE1-CD2 3.77Å; Y304-L313 HydrophobicContact CE1-CG 4.48Å; Y304-L313 HydrophobicContact CE2-CB 4.26Å; Y304-L313 HydrophobicContact CE2-CD2 3.97Å; Y304-L313 HydrophobicContact CG-CB 3.74Å; Y304-L313 HydrophobicContact CG-CD1 4.42Å; Y304-L313 HydrophobicContact CG-CD2 4.37Å; Y304-L313 HydrophobicContact CG-CG 4.41Å; D310-L313 WeakPolarHBondContact O-CB 3.24Å; D310-L313 PolarHBondContact O-N 2.95Å; D310-L313 VanDerWaalsContact O-N 3.08Å; L313-R315 VanDerWaalsContact C-N 3.31Å; L313-R315 PolarHBondContact O-N 2.97Å; L313-F316 HydrophobicContact CD1-CD1 4.45Å; L313-F316 PolarHBondContact O-N 2.83Å; L313-N317 WeakPolarHBondContact O-CB 3.19Å; L313-N317 PolarHBondContact O-N 3.04Å; L313-D526 WeakPolarHBondContact CD2-O 3.23Å; L313-W527 HydrophobicContact CD2-CD2 4.44Å; L313-W527 HydrophobicContact CD2-CE3 3.67Å; L313-W527 HydrophobicContact CD2-CZ3 3.84Å
314	E	95.8	Very high	94.8	Very high	118 Å²	118	32.1 Å²	32.1	55%	0.551	18%	0.175	S	C	*	.	H	α-helix	trans	-56.2	-46.7	173.5	-172.5	-164.4	159.6	0	0	111.1	D310 T318	D310-E314 PolarHBondContact O-N 3.21Å; E314-T318 VanDerWaalsContact O-CB 3.3Å; E314-T318 WeakPolarHBondContact O-CB 3.45Å; E314-T318 PolarHBondContact O-N 2.77Å; E314-T318 PolarHBondContact O-OG1 3.22Å
315	R	97.4	Very high	94.8	Very high	25 Å²	25	38.8 Å²	38.8	9%	0.094	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-46.8	177	-67.4	174.4	-160.6	-161.6	9	111.7	L257 D258 W261 L300 S311 L313 T318 H319	L257-R315 PolarHBondContact O-NH1 2.83Å; D258-R315 IonicContact OD1-CZ 2.68Å; D258-R315 IonicContact OD1-NH1 3.4Å; D258-R315 PolarHBondContact OD1-NH1 2.74Å; D258-R315 IonicContact OD1-NH2 3.14Å; D258-R315 PolarHBondContact OD1-NH2 2.68Å; W261-R315 HydrophobicContact CD2-CB 4.42Å; W261-R315 HydrophobicContact CD2-CG 3.58Å; W261-R315 HydrophobicContact CE3-CB 3.96Å; W261-R315 HydrophobicContact CE3-CG 3.63Å; W261-R315 HydrophobicContact CG-CG 4.11Å; W261-R315 HydrophobicContact CH2-CB 4.28Å; W261-R315 HydrophobicContact CH2-CG 3.94Å; W261-R315 HydrophobicContact CZ2-CG 3.91Å; W261-R315 HydrophobicContact CZ3-CB 3.9Å; W261-R315 HydrophobicContact CZ3-CG 3.82Å; L300-R315 HydrophobicContact CD1-CB 4.04Å; L300-R315 HydrophobicContact CD2-CB 4.04Å; S311-R315 WeakPolarHBondContact O-CD 3.42Å; S311-R315 WeakPolarHBondContact O-CG 3.26Å; S311-R315 PolarHBondContact O-N 2.88Å; S311-R315 PolarHBondContact O-NE 3Å; L313-R315 VanDerWaalsContact C-N 3.31Å; L313-R315 PolarHBondContact O-N 2.97Å; R315-T318 PolarHBondContact O-N 2.7Å; R315-H319 PolarHBondContact O-CD2 2.83Å; R315-H319 PolarHBondContact O-N 3.14Å
316	F	97.9	Very high	94.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-51.6	177.7	173.6	-109.9	0	0	0	111.7	Y297 L300 L301 F312 L313 T318 H319 Y320 L359 K363	Y297-F316 WeakPolarHBondContact O-CD2 3.14Å; L300-F316 HydrophobicContact CB-CB 3.82Å; L301-F316 HydrophobicContact CB-CD1 3.92Å; L301-F316 HydrophobicContact CB-CD2 3.91Å; L301-F316 HydrophobicContact CB-CE1 4.04Å; L301-F316 HydrophobicContact CB-CE2 4.06Å; L301-F316 HydrophobicContact CB-CG 3.84Å; L301-F316 HydrophobicContact CB-CZ 4.12Å; L301-F316 HydrophobicContact CD1-CD1 3.82Å; L301-F316 HydrophobicContact CD1-CE1 3.96Å; L301-F316 HydrophobicContact CD1-CG 4.49Å; L301-F316 HydrophobicContact CD2-CD1 4.31Å; L301-F316 HydrophobicContact CD2-CE1 3.69Å; L301-F316 HydrophobicContact CD2-CZ 3.82Å; L301-F316 HydrophobicContact CG-CD1 4.22Å; L301-F316 HydrophobicContact CG-CE1 4.1Å; L301-F316 HydrophobicContact CG-CZ 4.44Å; F312-F316 WeakPolarHBondContact O-CB 3.22Å; F312-F316 PolarHBondContact O-N 2.66Å; L313-F316 HydrophobicContact CD1-CD1 4.45Å; L313-F316 PolarHBondContact O-N 2.83Å; F316-T318 VanDerWaalsContact C-N 3.34Å; F316-T318 PolarHBondContact O-N 3.23Å; F316-H319 PolarHBondContact O-N 3.5Å; F316-Y320 HydrophobicContact CE2-CD2 4.45Å; F316-Y320 AromaticContact CZ-CD2 3.98Å; F316-Y320 HydrophobicContact CZ-CD2 3.98Å; F316-Y320 HydrophobicContact CZ-CG 4.5Å; F316-Y320 WeakPolarHBondContact O-CB 3.17Å; F316-Y320 PolarHBondContact O-N 2.96Å; F316-L359 HydrophobicContact CE2-CD1 4.46Å; F316-L359 HydrophobicContact CE2-CD2 3.99Å; F316-L359 HydrophobicContact CE2-CG 4.21Å; F316-L359 HydrophobicContact CZ-CG 4.31Å; F316-K363 HydrophobicContact CE1-CB 3.96Å; F316-K363 HydrophobicContact CE1-CD 3.74Å; F316-K363 HydrophobicContact CE1-CG 3.98Å; F316-K363 HydrophobicContact CZ-CB 4.23Å; F316-K363 HydrophobicContact CZ-CD 4.2Å
317	N	96.5	Very high	94.9	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-43.4	179.2	-73.8	-18.4	0	0	0	111.2	L313 H319 Y320 D321 K363	L313-N317 WeakPolarHBondContact O-CB 3.19Å; L313-N317 PolarHBondContact O-N 3.04Å; N317-H319 VanDerWaalsContact C-N 3.3Å; N317-H319 PolarHBondContact O-N 3.25Å; N317-Y320 WeakPolarHBondContact O-CB 3.23Å; N317-Y320 PolarHBondContact O-N 3.07Å; N317-Y320 VanDerWaalsContact O-N 3.11Å; N317-D321 PolarHBondContact O-N 2.85Å; N317-K363 PolarHBondContact OD1-NZ 3.1Å
318	T	97.4	Very high	94.9	Very high	33 Å²	33	38.7 Å²	38.7	20%	0.202	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-37.5	176.3	-60.4	0	0	0	0	113	W261 N269 E314 R315 F316	W261-T318 HydrophobicContact CH2-CG2 3.7Å; W261-T318 HydrophobicContact CZ3-CG2 3.99Å; N269-T318 HydrophobicContact CB-CG2 3.87Å; N269-T318 VanDerWaalsContact CG-CG2 3.43Å; N269-T318 WeakPolarHBondContact ND2-CG2 3.29Å; E314-T318 VanDerWaalsContact O-CB 3.3Å; E314-T318 WeakPolarHBondContact O-CB 3.45Å; E314-T318 PolarHBondContact O-N 2.77Å; E314-T318 PolarHBondContact O-OG1 3.22Å; R315-T318 PolarHBondContact O-N 2.7Å; F316-T318 VanDerWaalsContact C-N 3.34Å; F316-T318 PolarHBondContact O-N 3.23Å
319	H	97.9	Very high	94.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-76.5	-37	173.4	-73	-55.3	0	0	0	112.5	R264 N269 V271 Y297 R315 F316 N317 A322 I323	R264-H319 WeakPolarHBondContact CB-NE2 3.47Å; R264-H319 WeakPolarHBondContact CD-NE2 3.49Å; N269-H319 PolarHBondContact O-CE1 3.41Å; N269-H319 PolarHBondContact O-ND1 2.67Å; N269-H319 PolarHBondContact O-NE2 3.07Å; V271-H319 VanDerWaalsContact CG1-NE2 3.27Å; V271-H319 WeakPolarHBondContact CG1-NE2 3.34Å; Y297-H319 HydrophobicContact CD1-CB 3.82Å; Y297-H319 HydrophobicContact CE1-CB 3.6Å; Y297-H319 AromaticContact CE1-CG 3.67Å; R315-H319 PolarHBondContact O-CD2 2.83Å; R315-H319 PolarHBondContact O-N 3.14Å; F316-H319 PolarHBondContact O-N 3.5Å; N317-H319 VanDerWaalsContact C-N 3.3Å; N317-H319 PolarHBondContact O-N 3.25Å; H319-A322 WeakPolarHBondContact O-CB 3.03Å; H319-A322 PolarHBondContact O-N 2.86Å; H319-I323 WeakPolarHBondContact O-CD1 3.3Å; H319-I323 VanDerWaalsContact O-CG1 3.26Å; H319-I323 WeakPolarHBondContact O-CG1 3.12Å; H319-I323 PolarHBondContact O-N 3.21Å
320	Y	97.1	Very high	94	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-46.6	178.5	-169.3	-95.7	0	0	0	111.7	F316 N317 A322 I323 M324 F356 Q360 K363 D365	F316-Y320 HydrophobicContact CE2-CD2 4.45Å; F316-Y320 AromaticContact CZ-CD2 3.98Å; F316-Y320 HydrophobicContact CZ-CD2 3.98Å; F316-Y320 HydrophobicContact CZ-CG 4.5Å; F316-Y320 WeakPolarHBondContact O-CB 3.17Å; F316-Y320 PolarHBondContact O-N 2.96Å; N317-Y320 WeakPolarHBondContact O-CB 3.23Å; N317-Y320 PolarHBondContact O-N 3.07Å; N317-Y320 VanDerWaalsContact O-N 3.11Å; Y320-A322 VanDerWaalsContact C-N 3.27Å; Y320-A322 PolarHBondContact O-N 3.26Å; Y320-I323 PolarHBondContact O-N 3.28Å; Y320-M324 HydrophobicContact CD1-CG 3.89Å; Y320-M324 HydrophobicContact CE1-CG 3.42Å; Y320-M324 VanDerWaalsContact CE1-CG 3.42Å; Y320-M324 HydrophobicContact CE1-SD 4.36Å; Y320-M324 HydrophobicContact CE2-CG 4.25Å; Y320-M324 HydrophobicContact CG-CG 4.49Å; Y320-M324 WeakPolarHBondContact O-CB 3.38Å; Y320-M324 WeakPolarHBondContact O-CG 3.15Å; Y320-M324 PolarHBondContact O-N 3.49Å; Y320-F356 HydrophobicContact CD2-CZ 4.11Å; Y320-F356 HydrophobicContact CE2-CE1 4.25Å; Y320-F356 AromaticContact CE2-CZ 3.77Å; Y320-F356 HydrophobicContact CE2-CZ 3.77Å; Y320-Q360 HydrophobicContact CE2-CG 3.88Å; Y320-Q360 WeakPolarHBondContact OH-CG 3.38Å; Y320-Q360 PolarHBondContact OH-NE2 3.02Å; Y320-K363 HydrophobicContact CD1-CD 3.61Å; Y320-K363 VanDerWaalsContact CD1-CE 3.42Å; Y320-K363 HydrophobicContact CD2-CD 3.95Å; Y320-K363 HydrophobicContact CE1-CD 3.7Å; Y320-K363 HydrophobicContact CE2-CD 4.07Å; Y320-K363 HydrophobicContact CG-CD 3.73Å; Y320-D365 HydrophobicContact CE1-CB 4.49Å; Y320-D365 WeakPolarHBondContact OH-CB 3.49Å; Y320-D365 PolarHBondContact OH-OD2 3.02Å
321	D	96.1	Very high	93.5	Very high	107 Å²	107	39.8 Å²	39.8	57%	0.572	20%	0.197	S	C	*	.	H	α-helix	trans	-61.7	-36.9	176.7	-69.2	-9.6	0	0	0	111.8	N317 R325	N317-D321 PolarHBondContact O-N 2.85Å; D321-R325 WeakPolarHBondContact O-CB 3.32Å; D321-R325 PolarHBondContact O-N 2.93Å
322	A	97.1	Very high	93.3	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-44.1	174	0	0	0	0	0	112.3	S268 N269 L270 H319 Y320 R325 Y326	S268-A322 WeakPolarHBondContact O-CB 3.41Å; N269-A322 HydrophobicContact CB-CB 4.13Å; L270-A322 HydrophobicContact CD2-CB 3.77Å; L270-A322 HydrophobicContact CG-CB 4.34Å; H319-A322 WeakPolarHBondContact O-CB 3.03Å; H319-A322 PolarHBondContact O-N 2.86Å; Y320-A322 VanDerWaalsContact C-N 3.27Å; Y320-A322 PolarHBondContact O-N 3.26Å; A322-R325 PolarHBondContact O-N 2.91Å; A322-Y326 HydrophobicContact CB-CD2 4.32Å; A322-Y326 WeakPolarHBondContact O-CB 3.42Å; A322-Y326 WeakPolarHBondContact O-CD2 3.47Å; A322-Y326 PolarHBondContact O-N 2.89Å
323	I	97.2	Very high	93.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.194	C	C	.	.	I	π-helix	trans	-59.9	-50.2	175.4	-68	157.9	0	0	0	109.8	V289 Y297 H319 Y320 R325 Y326 I327 S328 F356	V289-I323 HydrophobicContact CG1-CD1 4.18Å; V289-I323 HydrophobicContact CG1-CG1 4.3Å; V289-I323 HydrophobicContact CG1-CG2 3.54Å; Y297-I323 HydrophobicContact CD1-CD1 4.27Å; Y297-I323 HydrophobicContact CD2-CD1 3.83Å; Y297-I323 HydrophobicContact CE1-CD1 4.15Å; Y297-I323 HydrophobicContact CE2-CD1 3.66Å; Y297-I323 HydrophobicContact CE2-CG1 4.33Å; Y297-I323 HydrophobicContact CG-CD1 4.12Å; H319-I323 WeakPolarHBondContact O-CD1 3.3Å; H319-I323 VanDerWaalsContact O-CG1 3.26Å; H319-I323 WeakPolarHBondContact O-CG1 3.12Å; H319-I323 PolarHBondContact O-N 3.21Å; Y320-I323 PolarHBondContact O-N 3.28Å; I323-R325 VanDerWaalsContact C-N 3.26Å; I323-R325 PolarHBondContact O-N 2.86Å; I323-Y326 PolarHBondContact O-N 3.31Å; I323-I327 HydrophobicContact CB-CD1 4.49Å; I323-I327 HydrophobicContact CG1-CD1 4.05Å; I323-I327 HydrophobicContact CG2-CB 4.21Å; I323-I327 HydrophobicContact CG2-CG2 4.33Å; I323-I327 WeakPolarHBondContact O-CA 3.5Å; I323-I327 WeakPolarHBondContact O-CB 3.44Å; I323-I327 PolarHBondContact O-N 2.88Å; I323-S328 PolarHBondContact O-N 3.48Å; I323-F356 HydrophobicContact CD1-CE2 4.25Å; I323-F356 HydrophobicContact CD1-CZ 4.29Å; I323-F356 HydrophobicContact CG2-CE1 4.17Å; I323-F356 HydrophobicContact CG2-CZ 3.76Å
324	M	94.6	Very high	93	Very high	53 Å²	53	39.4 Å²	39.4	26%	0.261	19%	0.193	S	C	.	.	I	π-helix	trans	-68.6	-22.7	-178.6	-67.5	-57.7	-74.4	0	0	113.6	Y320 P368	Y320-M324 HydrophobicContact CD1-CG 3.89Å; Y320-M324 HydrophobicContact CE1-CG 3.42Å; Y320-M324 VanDerWaalsContact CE1-CG 3.42Å; Y320-M324 HydrophobicContact CE1-SD 4.36Å; Y320-M324 HydrophobicContact CE2-CG 4.25Å; Y320-M324 HydrophobicContact CG-CG 4.49Å; Y320-M324 WeakPolarHBondContact O-CB 3.38Å; Y320-M324 WeakPolarHBondContact O-CG 3.15Å; Y320-M324 PolarHBondContact O-N 3.49Å; M324-P368 HydrophobicContact CE-CB 3.88Å; M324-P368 HydrophobicContact CE-CG 3.64Å
325	R	94.8	Very high	92.9	Very high	187 Å²	187	34.2 Å²	34.2	71%	0.706	17%	0.168	S	C	*	.	I	π-helix	trans	-86.8	-29.2	176.1	-175.8	174.2	-175.5	164.2	1.9	114.6	D321 A322 I323	D321-R325 WeakPolarHBondContact O-CB 3.32Å; D321-R325 PolarHBondContact O-N 2.93Å; A322-R325 PolarHBondContact O-N 2.91Å; I323-R325 VanDerWaalsContact C-N 3.26Å; I323-R325 PolarHBondContact O-N 2.86Å
326	Y	95.2	Very high	92.8	Very high	33 Å²	33	33 Å²	33	13%	0.129	16%	0.164	C	C	.	.	I	π-helix	trans	-123.6	-42	-168	-60.6	-56.8	0	0	0	114.7	L270 A322 I323 V336 P341 M342	L270-Y326 HydrophobicContact CD1-CD2 4.26Å; L270-Y326 HydrophobicContact CG-CD2 4.44Å; A322-Y326 HydrophobicContact CB-CD2 4.32Å; A322-Y326 WeakPolarHBondContact O-CB 3.42Å; A322-Y326 WeakPolarHBondContact O-CD2 3.47Å; A322-Y326 PolarHBondContact O-N 2.89Å; I323-Y326 PolarHBondContact O-N 3.31Å; Y326-V336 WeakPolarHBondContact O-CG1 3.38Å; Y326-P341 HydrophobicContact CD1-CB 3.64Å; Y326-P341 HydrophobicContact CD1-CG 3.79Å; Y326-P341 HydrophobicContact CD2-CB 4.21Å; Y326-P341 HydrophobicContact CD2-CG 4.47Å; Y326-P341 HydrophobicContact CE1-CB 4.16Å; Y326-P341 HydrophobicContact CE1-CG 3.77Å; Y326-P341 HydrophobicContact CE2-CG 4.48Å; Y326-P341 HydrophobicContact CG-CB 3.67Å; Y326-P341 HydrophobicContact CG-CG 4.16Å; Y326-M342 HydrophobicContact CD1-CE 3.53Å; Y326-M342 HydrophobicContact CE1-CE 3.61Å
327	I	94.6	Very high	92.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-90.8	-35.9	-176.4	-70.7	157.2	0	0	0	110.7	L270 V289 I323 Q329 L333 L334 V336	L270-I327 HydrophobicContact CD2-CD1 3.77Å; V289-I327 HydrophobicContact CG1-CG2 4.46Å; I323-I327 HydrophobicContact CB-CD1 4.49Å; I323-I327 HydrophobicContact CG1-CD1 4.05Å; I323-I327 HydrophobicContact CG2-CB 4.21Å; I323-I327 HydrophobicContact CG2-CG2 4.33Å; I323-I327 WeakPolarHBondContact O-CA 3.5Å; I323-I327 WeakPolarHBondContact O-CB 3.44Å; I323-I327 PolarHBondContact O-N 2.88Å; I327-Q329 PolarHBondContact O-N 3.43Å; I327-L333 HydrophobicContact CG2-CB 4.34Å; I327-L334 PolarHBondContact O-N 2.98Å; I327-V336 HydrophobicContact CG1-CG2 3.9Å
328	S	92.3	Very high	92.6	Very high	14 Å²	14	35.5 Å²	35.5	10%	0.098	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121	-178.7	-165.9	0	0	0	0	112.1	I323	I323-S328 PolarHBondContact O-N 3.48Å
329	Q	84.7	Confident	92.4	Very high	88 Å²	88	38.1 Å²	38.1	41%	0.411	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	70.3	174.5	-61.1	-178.4	19.5	0	0	107.9	I327 L332	I327-Q329 PolarHBondContact O-N 3.43Å; Q329-L332 CarbonylContact C-O 3.5Å; Q329-L332 VanDerWaalsContact C-O 3.27Å; Q329-L332 WeakPolarHBondContact CA-O 3.45Å; Q329-L332 PolarHBondContact N-O 2.83Å; Q329-L332 WeakPolarHBondContact O-CB 3.45Å; Q329-L332 PolarHBondContact O-N 2.96Å
330	P	73.2	Confident	92.2	Very high	73 Å²	73	44.9 Å²	44.9	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.4	-159.8	-30.6	36.4	0	0	0	114.6	E371	P330-E371 WeakPolarHBondContact CB-OE2 3.48Å
331	P	80.2	Confident	91.9	Very high	24 Å²	24	45.5 Å²	45.5	16%	0.156	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.2	14	9.2	38.7	-39.2	0	0	0	114.8	E371 M375 L550	P331-E371 WeakPolarHBondContact CB-O 3.47Å; P331-M375 HydrophobicContact CB-CB 3.79Å; P331-M375 HydrophobicContact CB-CG 4.13Å; P331-M375 HydrophobicContact CG-CB 4.09Å; P331-M375 HydrophobicContact CG-CG 3.99Å; P331-L550 HydrophobicContact CB-CD2 4.42Å; P331-L550 HydrophobicContact CG-CD2 4.19Å
332	L	88.9	Confident	91.6	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.152	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	148.5	-176.8	-50.8	-179.4	0	0	0	111.4	Q329 L334 M349 M375 T392 F394	Q329-L332 CarbonylContact C-O 3.5Å; Q329-L332 VanDerWaalsContact C-O 3.27Å; Q329-L332 WeakPolarHBondContact CA-O 3.45Å; Q329-L332 PolarHBondContact N-O 2.83Å; Q329-L332 WeakPolarHBondContact O-CB 3.45Å; Q329-L332 PolarHBondContact O-N 2.96Å; L332-L334 HydrophobicContact CB-CD1 4.46Å; L332-L334 HydrophobicContact CB-CG 4.32Å; L332-L334 HydrophobicContact CD1-CD1 4.37Å; L332-M349 HydrophobicContact CB-SD 4.45Å; L332-M349 HydrophobicContact CD2-CE 4.06Å; L332-M349 HydrophobicContact CD2-SD 4.26Å; L332-M375 HydrophobicContact CD2-SD 3.9Å; L332-T392 HydrophobicContact CD1-CG2 4.06Å; L332-F394 HydrophobicContact CD2-CE1 3.85Å; L332-F394 HydrophobicContact CD2-CZ 4.03Å
333	L	92.8	Very high	91.2	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.3	169.3	-58.6	-179.3	0	0	0	107.2	V289 I327 M349 L353 F356 T372	V289-L333 HydrophobicContact CG2-CB 4Å; V289-L333 HydrophobicContact CG2-CD1 3.66Å; V289-L333 HydrophobicContact CG2-CG 4.45Å; I327-L333 HydrophobicContact CG2-CB 4.34Å; L333-M349 WeakPolarHBondContact O-CG 3.4Å; L333-L353 HydrophobicContact CB-CD2 4.48Å; L333-F356 HydrophobicContact CD1-CB 4.46Å; L333-F356 HydrophobicContact CD1-CD1 3.67Å; L333-F356 HydrophobicContact CD1-CE1 4.31Å; L333-F356 HydrophobicContact CD1-CG 4.34Å; L333-T372 HydrophobicContact CD1-CG2 4.08Å; L333-T372 HydrophobicContact CG-CG2 4.37Å
334	L	91.9	Very high	90.8	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	27%	0.265	C	S	.	.			trans	-125.7	132	-170.2	-68.1	173.5	0	0	0	112.5	I327 L332 V336 M349 T392	I327-L334 PolarHBondContact O-N 2.98Å; L332-L334 HydrophobicContact CB-CD1 4.46Å; L332-L334 HydrophobicContact CB-CG 4.32Å; L332-L334 HydrophobicContact CD1-CD1 4.37Å; L334-V336 PolarHBondContact O-N 2.93Å; L334-M349 HydrophobicContact CD2-CE 4.2Å; L334-M349 HydrophobicContact CD2-CG 4Å; L334-M349 HydrophobicContact CD2-SD 4.31Å; L334-T392 HydrophobicContact CD1-CG2 3.85Å; L334-T392 HydrophobicContact CD2-CG2 3.79Å; L334-T392 HydrophobicContact CG-CG2 4.46Å
335	D	93.7	Very high	90.5	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.043	26%	0.264	C	S	.	.			trans	-58.9	134.1	177.3	-72.8	31	0	0	0	111.9	S287 N344 A345 R346	S287-D335 CarbonylContact O-C 3.57Å; S287-D335 WeakPolarHBondContact O-CA 3.2Å; D335-N344 CarbonylContact O-C 3.48Å; D335-N344 VanDerWaalsContact O-CA 3.25Å; D335-N344 WeakPolarHBondContact O-CA 3.27Å; D335-A345 HydrophobicContact CB-CB 4.4Å; D335-A345 PolarHBondContact O-N 3.08Å; D335-R346 HydrophobicContact CB-CB 4.08Å; D335-R346 HydrophobicContact CB-CG 3.87Å; D335-R346 WeakPolarHBondContact OD2-CD 3.47Å; D335-R346 IonicContact OD2-CZ 3.94Å; D335-R346 IonicContact OD2-NE 2.74Å; D335-R346 PolarHBondContact OD2-NE 3.19Å; D335-R346 IonicContact OD2-NH1 3.19Å; D335-R346 PolarHBondContact OD2-NH1 3.35Å; D335-R346 IonicContact OD2-NH2 3.55Å; D335-R346 PolarHBondContact OD2-NH2 3.02Å
336	V	95.4	Very high	89.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	165.6	177.2	-58.8	0	0	0	0	111.4	L270 D286 S287 Y326 I327 L334 P341 L343	L270-V336 HydrophobicContact CD1-CG2 3.64Å; D286-V336 CarbonylContact C-O 3.52Å; D286-V336 WeakPolarHBondContact CA-O 3.37Å; S287-V336 PolarHBondContact N-O 3.3Å; S287-V336 PolarHBondContact O-N 2.81Å; Y326-V336 WeakPolarHBondContact O-CG1 3.38Å; I327-V336 HydrophobicContact CG1-CG2 3.9Å; L334-V336 PolarHBondContact O-N 2.93Å; V336-P341 HydrophobicContact CG2-CB 4.06Å; V336-L343 WeakPolarHBondContact CA-O 3.42Å
337	H	95.4	Very high	89.5	Confident	75 Å²	75	49.3 Å²	49.3	35%	0.347	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	126.5	172.6	-68.6	-63.7	0	0	0	111.8	K285 H339 K340 P341 L343 A345	K285-H337 WeakPolarHBondContact O-CA 3.15Å; H337-H339 PolarHBondContact O-N 2.79Å; H337-H339 VanDerWaalsContact O-N 3.09Å; H337-K340 HydrophobicContact CB-CB 4.49Å; H337-K340 CarbonylContact O-C 3.53Å; H337-K340 PolarHBondContact O-N 2.79Å; H337-P341 WeakPolarHBondContact O-CA 3.46Å; H337-L343 PolarHBondContact N-O 3.08Å; H337-L343 VanDerWaalsContact N-O 3.08Å; H337-A345 VanDerWaalsContact CE1-CB 3.49Å; H337-A345 WeakPolarHBondContact CE1-CB 3.25Å
338	I	94.6	Very high	89.2	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.1	-174.7	65.6	-171.5	0	0	0	113.8	Q265 S268 L270 W282 K285	Q265-I338 HydrophobicContact CB-CB 4.08Å; Q265-I338 HydrophobicContact CB-CD1 4.48Å; Q265-I338 HydrophobicContact CB-CG1 4.27Å; Q265-I338 HydrophobicContact CG-CB 4.49Å; Q265-I338 WeakPolarHBondContact CG-O 3.37Å; S268-I338 PolarHBondContact OG-O 2.81Å; L270-I338 HydrophobicContact CB-CB 4.12Å; L270-I338 HydrophobicContact CB-CG2 3.75Å; W282-I338 HydrophobicContact CB-CD1 4.08Å; W282-I338 HydrophobicContact CD2-CD1 4.31Å; W282-I338 HydrophobicContact CG-CD1 3.7Å; K285-I338 HydrophobicContact CB-CD1 4.37Å; K285-I338 HydrophobicContact CB-CG1 4.38Å; K285-I338 HydrophobicContact CG-CD1 4.46Å; K285-I338 PolarHBondContact O-N 2.99Å
339	H	92.7	Very high	89.2	Confident	88 Å²	88	50.5 Å²	50.5	41%	0.407	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-21.2	180	-60.6	82.3	0	0	0	113.5	H337	H337-H339 PolarHBondContact O-N 2.79Å; H337-H339 VanDerWaalsContact O-N 3.09Å
340	K	92.8	Very high	89.6	Confident	143 Å²	143	46.5 Å²	46.5	62%	0.622	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	66.5	-176.9	-67.6	-173	178.3	-178.9	0	109.1	H337 M342 L343	H337-K340 HydrophobicContact CB-CB 4.49Å; H337-K340 CarbonylContact O-C 3.53Å; H337-K340 PolarHBondContact O-N 2.79Å; K340-M342 PolarHBondContact O-N 3.17Å; K340-L343 HydrophobicContact CB-CD1 4.06Å; K340-L343 HydrophobicContact CB-CG 4.4Å; K340-L343 HydrophobicContact CD-CD1 4.09Å; K340-L343 WeakPolarHBondContact O-CB 3.42Å; K340-L343 PolarHBondContact O-N 2.93Å
341	P	91.4	Very high	90.6	Very high	19 Å²	19	43 Å²	43	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-1	-168.5	29.6	-38	0	0	0	114.6	L270 Y326 V336 H337 L343	L270-P341 HydrophobicContact CD1-CB 4.1Å; Y326-P341 HydrophobicContact CD1-CB 3.64Å; Y326-P341 HydrophobicContact CD1-CG 3.79Å; Y326-P341 HydrophobicContact CD2-CB 4.21Å; Y326-P341 HydrophobicContact CD2-CG 4.47Å; Y326-P341 HydrophobicContact CE1-CB 4.16Å; Y326-P341 HydrophobicContact CE1-CG 3.77Å; Y326-P341 HydrophobicContact CE2-CG 4.48Å; Y326-P341 HydrophobicContact CG-CB 3.67Å; Y326-P341 HydrophobicContact CG-CG 4.16Å; V336-P341 HydrophobicContact CG2-CB 4.06Å; H337-P341 WeakPolarHBondContact O-CA 3.46Å; P341-L343 VanDerWaalsContact C-N 3.27Å
342	M	89.5	Confident	91.3	Very high	143 Å²	143	43.3 Å²	43.3	70%	0.704	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	-4	167.3	-59.4	-67.5	107	0	0	113	Y326 K340	Y326-M342 HydrophobicContact CD1-CE 3.53Å; Y326-M342 HydrophobicContact CE1-CE 3.61Å; K340-M342 PolarHBondContact O-N 3.17Å
343	L	89.7	Confident	91.6	Very high	95 Å²	95	42.2 Å²	42.2	50%	0.497	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.6	-179.4	-60.7	178.6	0	0	0	110.1	V336 H337 K340 P341 A345	V336-L343 WeakPolarHBondContact CA-O 3.42Å; H337-L343 PolarHBondContact N-O 3.08Å; H337-L343 VanDerWaalsContact N-O 3.08Å; K340-L343 HydrophobicContact CB-CD1 4.06Å; K340-L343 HydrophobicContact CB-CG 4.4Å; K340-L343 HydrophobicContact CD-CD1 4.09Å; K340-L343 WeakPolarHBondContact O-CB 3.42Å; K340-L343 PolarHBondContact O-N 2.93Å; P341-L343 VanDerWaalsContact C-N 3.27Å; L343-A345 PolarHBondContact O-N 3.49Å
344	N	88.9	Confident	91.9	Very high	72 Å²	72	42.1 Å²	42.1	39%	0.385	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	126.7	171.6	-60.4	24.4	0	0	0	109.8	D335	D335-N344 CarbonylContact O-C 3.48Å; D335-N344 VanDerWaalsContact O-CA 3.25Å; D335-N344 WeakPolarHBondContact O-CA 3.27Å
345	A	87.7	Confident	92.2	Very high	30 Å²	30	42.3 Å²	42.3	25%	0.248	21%	0.214	C	C	.	.	S	Bend	trans	-83.2	-23.7	174.1	0	0	0	0	0	112.5	D286 D335 H337 L343	D286-A345 HydrophobicContact CB-CB 3.53Å; D335-A345 HydrophobicContact CB-CB 4.4Å; D335-A345 PolarHBondContact O-N 3.08Å; H337-A345 VanDerWaalsContact CE1-CB 3.49Å; H337-A345 WeakPolarHBondContact CE1-CB 3.25Å; L343-A345 PolarHBondContact O-N 3.49Å
346	R	83.3	Confident	92.4	Very high	27 Å²	27	41.9 Å²	41.9	10%	0.102	21%	0.212	C	C	.	.			trans	-132.1	162	175.9	-53.6	-174.1	-167.3	159.5	20	111.4	D286 D335 W348 D350	D286-R346 IonicContact OD2-CZ 3.24Å; D286-R346 IonicContact OD2-NE 3.6Å; D286-R346 PolarHBondContact OD2-NE 3.31Å; D286-R346 IonicContact OD2-NH2 3.37Å; D286-R346 PolarHBondContact OD2-NH2 3.22Å; D335-R346 HydrophobicContact CB-CB 4.08Å; D335-R346 HydrophobicContact CB-CG 3.87Å; D335-R346 WeakPolarHBondContact OD2-CD 3.47Å; D335-R346 IonicContact OD2-CZ 3.94Å; D335-R346 IonicContact OD2-NE 2.74Å; D335-R346 PolarHBondContact OD2-NE 3.19Å; D335-R346 IonicContact OD2-NH1 3.19Å; D335-R346 PolarHBondContact OD2-NH1 3.35Å; D335-R346 IonicContact OD2-NH2 3.55Å; D335-R346 PolarHBondContact OD2-NH2 3.02Å; R346-W348 VanDerWaalsContact NH1-CH2 3.31Å; R346-D350 IonicContact NH1-OD2 3.2Å
347	T	85.8	Confident	92.4	Very high	100 Å²	100	41.9 Å²	41.9	61%	0.613	21%	0.212	S	C	*	.	S	Bend	trans	-113.9	15.6	177.4	54.6	0	0	0	0	112.7
348	W	89.2	Confident	92.5	Very high	35 Å²	35	38.4 Å²	38.4	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.3	-175	54.5	-97	0	0	0	110	R346 D350 A389 F390 T391 H397 W398	R346-W348 VanDerWaalsContact NH1-CH2 3.31Å; W348-D350 HydrophobicContact CZ3-CB 4.19Å; W348-A389 HydrophobicContact CD2-CB 4.34Å; W348-A389 HydrophobicContact CE3-CB 3.67Å; W348-A389 HydrophobicContact CZ3-CB 4.01Å; W348-F390 CarbonylContact C-O 3.6Å; W348-F390 VanDerWaalsContact CA-O 3.24Å; W348-F390 WeakPolarHBondContact CA-O 3.34Å; W348-F390 VanDerWaalsContact CB-O 3.32Å; W348-F390 WeakPolarHBondContact CB-O 3.5Å; W348-T391 HydrophobicContact CB-CG2 4.44Å; W348-H397 HydrophobicContact CB-CB 4.31Å; W348-H397 AromaticContact CD1-CD2 3.95Å; W348-H397 AromaticContact CD1-CE1 3.71Å; W348-H397 AromaticContact CD1-ND1 4Å; W348-H397 AromaticContact CD1-NE2 3.7Å; W348-H397 AromaticContact CG-CD2 3.93Å; W348-H397 AromaticContact NE1-CE1 3.96Å; W348-H397 AromaticContact NE1-NE2 3.58Å; W348-W398 AromaticContact CH2-CH2 3.31Å; W348-W398 HydrophobicContact CH2-CH2 3.31Å; W348-W398 AromaticContact CH2-CZ2 3.99Å; W348-W398 HydrophobicContact CH2-CZ2 3.99Å; W348-W398 AromaticContact CH2-CZ3 3.64Å; W348-W398 HydrophobicContact CH2-CZ3 3.64Å; W348-W398 AromaticContact CZ2-CH2 3.65Å; W348-W398 HydrophobicContact CZ2-CH2 3.65Å; W348-W398 AromaticContact CZ2-CZ2 3.87Å; W348-W398 HydrophobicContact CZ2-CZ2 3.87Å; W348-W398 HydrophobicContact CZ2-CZ3 4.35Å; W348-W398 HydrophobicContact CZ3-CH2 4.09Å; W348-W398 AromaticContact CZ3-CZ3 3.96Å; W348-W398 HydrophobicContact CZ3-CZ3 3.96Å
349	M	91.8	Very high	92.6	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.1	176.8	-76.2	155.6	-74.5	0	0	108.7	L332 L333 L334 L353 A389 F390 T392	L332-M349 HydrophobicContact CB-SD 4.45Å; L332-M349 HydrophobicContact CD2-CE 4.06Å; L332-M349 HydrophobicContact CD2-SD 4.26Å; L333-M349 WeakPolarHBondContact O-CG 3.4Å; L334-M349 HydrophobicContact CD2-CE 4.2Å; L334-M349 HydrophobicContact CD2-CG 4Å; L334-M349 HydrophobicContact CD2-SD 4.31Å; M349-L353 HydrophobicContact CB-CD2 3.67Å; M349-L353 HydrophobicContact CG-CD2 3.72Å; M349-A389 CarbonylContact O-C 3.56Å; M349-A389 WeakPolarHBondContact O-CA 3.45Å; M349-A389 WeakPolarHBondContact O-CB 3.43Å; M349-F390 HydrophobicContact CB-CD2 4.42Å; M349-F390 HydrophobicContact CB-CE1 3.96Å; M349-F390 HydrophobicContact CB-CE2 3.86Å; M349-F390 HydrophobicContact CB-CZ 3.59Å; M349-F390 HydrophobicContact CE-CD2 3.89Å; M349-F390 HydrophobicContact CE-CE2 3.42Å; M349-F390 VanDerWaalsContact CE-CE2 3.42Å; M349-F390 HydrophobicContact CE-CZ 4.26Å; M349-F390 HydrophobicContact CG-CE2 4.4Å; M349-F390 HydrophobicContact CG-CZ 4.36Å; M349-F390 PolarHBondContact N-O 3.15Å; M349-F390 PolarHBondContact O-N 2.85Å; M349-F390 HydrophobicContact SD-CE2 3.71Å; M349-F390 HydrophobicContact SD-CZ 3.99Å; M349-T392 HydrophobicContact CE-CG2 4.37Å
350	D	93.2	Very high	92.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	168.8	165.7	52.6	79	0	0	0	112.1	G290 A291 R346 W348 L352 L353 E388	G290-D350 WeakPolarHBondContact CA-OD1 3.38Å; A291-D350 PolarHBondContact N-OD1 3.27Å; A291-D350 PolarHBondContact N-OD2 3.05Å; R346-D350 IonicContact NH1-OD2 3.2Å; W348-D350 HydrophobicContact CZ3-CB 4.19Å; D350-L352 HydrophobicContact CB-CD1 4.37Å; D350-L352 PolarHBondContact OD1-N 2.95Å; D350-L353 WeakPolarHBondContact O-CG 3.41Å; D350-L353 PolarHBondContact OD1-N 3.4Å; D350-E388 CarbonylContact C-O 3.6Å; D350-E388 WeakPolarHBondContact CA-O 3.46Å; D350-E388 WeakPolarHBondContact CB-O 3.43Å
351	A	94.5	Very high	92.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-73.9	-27.2	177.4	0	0	0	0	0	113.6	L353 A354 L386 E388 R404	A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 2.94Å; A351-A354 VanDerWaalsContact O-CB 3.24Å; A351-A354 WeakPolarHBondContact O-CB 3.11Å; A351-A354 PolarHBondContact O-N 3.33Å; A351-A354 VanDerWaalsContact O-N 3.15Å; A351-L386 HydrophobicContact CB-CD2 3.89Å; A351-L386 HydrophobicContact CB-CG 4Å; A351-E388 PolarHBondContact N-O 3.08Å; A351-R404 HydrophobicContact CB-CG 4.41Å
352	L	94.4	Very high	92.7	Very high	30 Å²	30	29.2 Å²	29.2	16%	0.157	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-67.2	-29.7	-169.9	-67.6	75.6	0	0	0	111.5	A291 D350 A354 F355	A291-L352 HydrophobicContact CB-CD1 4.31Å; A291-L352 HydrophobicContact CB-CD2 4.1Å; D350-L352 HydrophobicContact CB-CD1 4.37Å; D350-L352 PolarHBondContact OD1-N 2.95Å; L352-A354 PolarHBondContact O-N 2.66Å; L352-F355 WeakPolarHBondContact O-CD1 3.38Å; L352-F355 PolarHBondContact O-N 3.3Å
353	L	96	Very high	92.7	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.026	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-54.4	-13.4	173.9	77.6	75.9	0	0	0	114.7	V289 L333 M349 D350 A351 F355 F356 L376	V289-L353 HydrophobicContact CG2-CB 3.8Å; L333-L353 HydrophobicContact CB-CD2 4.48Å; M349-L353 HydrophobicContact CB-CD2 3.67Å; M349-L353 HydrophobicContact CG-CD2 3.72Å; D350-L353 WeakPolarHBondContact O-CG 3.41Å; D350-L353 PolarHBondContact OD1-N 3.4Å; A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 2.94Å; L353-F355 PolarHBondContact O-N 3.37Å; L353-F355 VanDerWaalsContact O-N 3.13Å; L353-F356 VanDerWaalsContact O-CB 3.28Å; L353-F356 WeakPolarHBondContact O-CB 3.43Å; L353-F356 PolarHBondContact O-N 3.47Å; L353-L376 HydrophobicContact CD1-CD1 4.11Å; L353-L376 HydrophobicContact CD1-CD2 4.09Å
354	A	97.9	Very high	92.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-63	-10.9	176.5	0	0	0	0	0	114.5	A351 L352 L376 L386 E406 F407 S410	A351-A354 VanDerWaalsContact O-CB 3.24Å; A351-A354 WeakPolarHBondContact O-CB 3.11Å; A351-A354 PolarHBondContact O-N 3.33Å; A351-A354 VanDerWaalsContact O-N 3.15Å; L352-A354 PolarHBondContact O-N 2.66Å; A354-L376 HydrophobicContact CB-CD1 3.89Å; A354-L386 HydrophobicContact CB-CD2 3.85Å; A354-E406 CarbonylContact C-O 3.47Å; A354-E406 HydrophobicContact CB-CB 4.16Å; A354-E406 VanDerWaalsContact O-O 3.08Å; A354-F407 HydrophobicContact CB-CB 3.94Å; A354-S410 WeakPolarHBondContact O-CB 3.32Å; A354-S410 PolarHBondContact O-OG 2.66Å
355	F	98.1	Very high	92.5	Very high	9 Å²	9	19.5 Å²	19.5	4%	0.039	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-72.4	-28.1	168.4	90.7	-66.1	0	0	0	112.6	V289 D294 E298 L352 L353 G358 L359 E406 E409 S410	V289-F355 WeakPolarHBondContact O-CE1 3.46Å; D294-F355 HydrophobicContact CB-CE1 3.91Å; D294-F355 HydrophobicContact CB-CZ 4.06Å; D294-F355 WeakPolarHBondContact O-CZ 3.12Å; E298-F355 HydrophobicContact CB-CE2 3.99Å; E298-F355 HydrophobicContact CG-CD2 4.37Å; E298-F355 HydrophobicContact CG-CE2 4.19Å; L352-F355 WeakPolarHBondContact O-CD1 3.38Å; L352-F355 PolarHBondContact O-N 3.3Å; L353-F355 PolarHBondContact O-N 3.37Å; L353-F355 VanDerWaalsContact O-N 3.13Å; F355-G358 WeakPolarHBondContact O-CA 3.32Å; F355-G358 PolarHBondContact O-N 3Å; F355-L359 HydrophobicContact CE2-CB 4.35Å; F355-L359 HydrophobicContact CE2-CD2 3.9Å; F355-L359 HydrophobicContact CZ-CD2 4.36Å; F355-L359 PolarHBondContact O-N 3.04Å; F355-L359 VanDerWaalsContact O-N 3.17Å; F355-E406 HydrophobicContact CB-CB 4.05Å; F355-E406 HydrophobicContact CB-CG 4.4Å; F355-E409 WeakPolarHBondContact CB-OE2 3.38Å; F355-S410 PolarHBondContact O-OG 3.29Å
356	F	97.6	Very high	92.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.9	-36.2	-167.3	-165.7	-105.6	0	0	0	113.6	V289 Y320 I323 L333 L353 G358 L359 Q360	V289-F356 HydrophobicContact CB-CD2 3.96Å; V289-F356 HydrophobicContact CB-CE2 4.34Å; V289-F356 HydrophobicContact CB-CG 4.16Å; V289-F356 HydrophobicContact CG1-CD1 4.26Å; V289-F356 HydrophobicContact CG1-CD2 3.72Å; V289-F356 HydrophobicContact CG1-CE1 4.14Å; V289-F356 HydrophobicContact CG1-CE2 3.61Å; V289-F356 HydrophobicContact CG1-CG 4.06Å; V289-F356 HydrophobicContact CG1-CZ 3.83Å; V289-F356 HydrophobicContact CG2-CG 4.41Å; Y320-F356 HydrophobicContact CD2-CZ 4.11Å; Y320-F356 HydrophobicContact CE2-CE1 4.25Å; Y320-F356 AromaticContact CE2-CZ 3.77Å; Y320-F356 HydrophobicContact CE2-CZ 3.77Å; I323-F356 HydrophobicContact CD1-CE2 4.25Å; I323-F356 HydrophobicContact CD1-CZ 4.29Å; I323-F356 HydrophobicContact CG2-CE1 4.17Å; I323-F356 HydrophobicContact CG2-CZ 3.76Å; L333-F356 HydrophobicContact CD1-CB 4.46Å; L333-F356 HydrophobicContact CD1-CD1 3.67Å; L333-F356 HydrophobicContact CD1-CE1 4.31Å; L333-F356 HydrophobicContact CD1-CG 4.34Å; L353-F356 VanDerWaalsContact O-CB 3.28Å; L353-F356 WeakPolarHBondContact O-CB 3.43Å; L353-F356 PolarHBondContact O-N 3.47Å; F356-G358 VanDerWaalsContact C-N 3.29Å; F356-G358 PolarHBondContact O-N 3.22Å; F356-L359 HydrophobicContact CD2-CD2 4.2Å; F356-L359 HydrophobicContact CE2-CD2 4.24Å; F356-L359 PolarHBondContact O-N 3.42Å; F356-Q360 HydrophobicContact CD1-CG 3.86Å; F356-Q360 VanDerWaalsContact CE1-CD 3.48Å; F356-Q360 HydrophobicContact CE1-CG 3.69Å; F356-Q360 HydrophobicContact CZ-CG 4.26Å; F356-Q360 WeakPolarHBondContact O-CB 3.28Å; F356-Q360 VanDerWaalsContact O-CG 3.3Å; F356-Q360 WeakPolarHBondContact O-CG 3.14Å; F356-Q360 PolarHBondContact O-N 2.97Å
357	P	96.9	Very high	92.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.3	-35.1	169.6	-26.5	36.5	0	0	0	114.1	Q360 V361 A369 T372 H373 L414	P357-Q360 PolarHBondContact O-N 2.67Å; P357-V361 WeakPolarHBondContact O-CG2 3.32Å; P357-V361 PolarHBondContact O-N 2.88Å; P357-A369 HydrophobicContact CB-CB 3.97Å; P357-A369 WeakPolarHBondContact O-CB 3.12Å; P357-T372 HydrophobicContact CG-CG2 4.03Å; P357-H373 HydrophobicContact CB-CB 4.32Å; P357-H373 HydrophobicContact CG-CB 4.45Å; P357-L414 HydrophobicContact CB-CD1 4.42Å
358	G	96.1	Very high	93	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-44.2	173.1	0	0	0	0	0	112	F355 F356 Q360 V361 L362 S410	F355-G358 WeakPolarHBondContact O-CA 3.32Å; F355-G358 PolarHBondContact O-N 3Å; F356-G358 VanDerWaalsContact C-N 3.29Å; F356-G358 PolarHBondContact O-N 3.22Å; G358-Q360 VanDerWaalsContact C-N 3.34Å; G358-Q360 PolarHBondContact O-N 3.33Å; G358-V361 WeakPolarHBondContact O-CB 3.16Å; G358-V361 PolarHBondContact O-N 3.4Å; G358-V361 VanDerWaalsContact O-N 3.14Å; G358-L362 PolarHBondContact O-N 3.46Å; G358-S410 PolarHBondContact N-OG 3.36Å
359	L	96.2	Very high	93.2	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-38.5	173.5	-173.2	63.1	0	0	0	112.3	E298 L301 F316 F355 F356 V361 L362 K363	E298-L359 HydrophobicContact CB-CD1 4.45Å; E298-L359 HydrophobicContact CB-CD2 4.36Å; E298-L359 HydrophobicContact CG-CD1 4.2Å; L301-L359 HydrophobicContact CB-CD1 4.12Å; L301-L359 HydrophobicContact CD2-CD1 3.87Å; F316-L359 HydrophobicContact CE2-CD1 4.46Å; F316-L359 HydrophobicContact CE2-CD2 3.99Å; F316-L359 HydrophobicContact CE2-CG 4.21Å; F316-L359 HydrophobicContact CZ-CG 4.31Å; F355-L359 HydrophobicContact CE2-CB 4.35Å; F355-L359 HydrophobicContact CE2-CD2 3.9Å; F355-L359 HydrophobicContact CZ-CD2 4.36Å; F355-L359 PolarHBondContact O-N 3.04Å; F355-L359 VanDerWaalsContact O-N 3.17Å; F356-L359 HydrophobicContact CD2-CD2 4.2Å; F356-L359 HydrophobicContact CE2-CD2 4.24Å; F356-L359 PolarHBondContact O-N 3.42Å; L359-V361 VanDerWaalsContact C-N 3.33Å; L359-L362 PolarHBondContact O-N 2.86Å; L359-L362 VanDerWaalsContact O-N 3.17Å; L359-K363 PolarHBondContact O-N 3.1Å
360	Q	94.3	Very high	93.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-36.8	172.1	-74.9	-177.6	-51.5	0	0	111.9	Y320 F356 P357 G358 K363 G364 D365 A369	Y320-Q360 HydrophobicContact CE2-CG 3.88Å; Y320-Q360 WeakPolarHBondContact OH-CG 3.38Å; Y320-Q360 PolarHBondContact OH-NE2 3.02Å; F356-Q360 HydrophobicContact CD1-CG 3.86Å; F356-Q360 VanDerWaalsContact CE1-CD 3.48Å; F356-Q360 HydrophobicContact CE1-CG 3.69Å; F356-Q360 HydrophobicContact CZ-CG 4.26Å; F356-Q360 WeakPolarHBondContact O-CB 3.28Å; F356-Q360 VanDerWaalsContact O-CG 3.3Å; F356-Q360 WeakPolarHBondContact O-CG 3.14Å; F356-Q360 PolarHBondContact O-N 2.97Å; P357-Q360 PolarHBondContact O-N 2.67Å; G358-Q360 VanDerWaalsContact C-N 3.34Å; G358-Q360 PolarHBondContact O-N 3.33Å; Q360-K363 CarbonylContact O-C 3.53Å; Q360-K363 PolarHBondContact O-N 3.03Å; Q360-G364 CarbonylContact O-C 3.55Å; Q360-G364 WeakPolarHBondContact O-CA 3.34Å; Q360-G364 PolarHBondContact O-N 3.17Å; Q360-D365 PolarHBondContact O-N 2.84Å; Q360-A369 HydrophobicContact CB-CB 3.81Å
361	V	93.1	Very high	93.2	Very high	18 Å²	18	18.7 Å²	18.7	11%	0.109	9%	0.09	C	C	.	.	H	α-helix	trans	-67	-34.7	171.4	169.2	0	0	0	0	112.3	P357 G358 L359 G364 I366 A369 F413 L414 A417	P357-V361 WeakPolarHBondContact O-CG2 3.32Å; P357-V361 PolarHBondContact O-N 2.88Å; G358-V361 WeakPolarHBondContact O-CB 3.16Å; G358-V361 PolarHBondContact O-N 3.4Å; G358-V361 VanDerWaalsContact O-N 3.14Å; L359-V361 VanDerWaalsContact C-N 3.33Å; V361-G364 WeakPolarHBondContact O-CA 3.22Å; V361-G364 PolarHBondContact O-N 2.79Å; V361-I366 HydrophobicContact CB-CD1 4.27Å; V361-I366 HydrophobicContact CG1-CD1 4.12Å; V361-I366 HydrophobicContact CG2-CD1 3.97Å; V361-A369 HydrophobicContact CG2-CB 4.05Å; V361-F413 HydrophobicContact CB-CB 4.18Å; V361-F413 HydrophobicContact CG1-CB 3.97Å; V361-L414 HydrophobicContact CG2-CD2 3.53Å; V361-L414 HydrophobicContact CG2-CG 3.86Å; V361-A417 HydrophobicContact CG1-CB 3.57Å
362	L	91.9	Very high	93.2	Very high	34 Å²	34	18.8 Å²	18.8	18%	0.178	9%	0.091	C	C	.	.	H	α-helix	trans	-69.8	-36.2	175.4	-172.9	60.8	0	0	0	112.5	L301 K302 G358 L359 G364	L301-L362 HydrophobicContact CD2-CB 3.92Å; L301-L362 HydrophobicContact CD2-CD2 3.92Å; L301-L362 HydrophobicContact CD2-CG 3.7Å; L301-L362 HydrophobicContact CG-CD2 4.19Å; L301-L362 HydrophobicContact CG-CG 4.28Å; K302-L362 HydrophobicContact CG-CD2 3.97Å; G358-L362 PolarHBondContact O-N 3.46Å; L359-L362 PolarHBondContact O-N 2.86Å; L359-L362 VanDerWaalsContact O-N 3.17Å; L362-G364 VanDerWaalsContact C-N 3.25Å
363	K	89.6	Confident	93.3	Very high	47 Å²	47	17.4 Å²	17.4	20%	0.204	8%	0.083	C	C	.	.	H	α-helix	trans	-67.8	-28.4	164.4	-174.8	177.5	172.4	56.6	0	111.7	L301 F316 N317 Y320 L359 Q360 P530	L301-K363 HydrophobicContact CD2-CB 4.25Å; F316-K363 HydrophobicContact CE1-CB 3.96Å; F316-K363 HydrophobicContact CE1-CD 3.74Å; F316-K363 HydrophobicContact CE1-CG 3.98Å; F316-K363 HydrophobicContact CZ-CB 4.23Å; F316-K363 HydrophobicContact CZ-CD 4.2Å; N317-K363 PolarHBondContact OD1-NZ 3.1Å; Y320-K363 HydrophobicContact CD1-CD 3.61Å; Y320-K363 VanDerWaalsContact CD1-CE 3.42Å; Y320-K363 HydrophobicContact CD2-CD 3.95Å; Y320-K363 HydrophobicContact CE1-CD 3.7Å; Y320-K363 HydrophobicContact CE2-CD 4.07Å; Y320-K363 HydrophobicContact CG-CD 3.73Å; L359-K363 PolarHBondContact O-N 3.1Å; Q360-K363 CarbonylContact O-C 3.53Å; Q360-K363 PolarHBondContact O-N 3.03Å; K363-P530 WeakPolarHBondContact O-CD 3.28Å
364	G	87.2	Confident	93.2	Very high	9 Å²	9	17.2 Å²	17.2	9%	0.093	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	18.9	-175.5	0	0	0	0	0	115.3	Q360 V361 L362 I366	Q360-G364 CarbonylContact O-C 3.55Å; Q360-G364 WeakPolarHBondContact O-CA 3.34Å; Q360-G364 PolarHBondContact O-N 3.17Å; V361-G364 WeakPolarHBondContact O-CA 3.22Å; V361-G364 PolarHBondContact O-N 2.79Å; L362-G364 VanDerWaalsContact C-N 3.25Å; G364-I366 PolarHBondContact O-N 3.34Å
365	D	88.6	Confident	93.1	Very high	51 Å²	51	17.4 Å²	17.4	27%	0.273	8%	0.083	S	C	.	.			trans	-79.4	69.4	166.9	-167.9	7	0	0	0	109.7	Y320 Q360 R367 P368	Y320-D365 HydrophobicContact CE1-CB 4.49Å; Y320-D365 WeakPolarHBondContact OH-CB 3.49Å; Y320-D365 PolarHBondContact OH-OD2 3.02Å; Q360-D365 PolarHBondContact O-N 2.84Å; D365-R367 VanDerWaalsContact C-N 3.26Å; D365-R367 PolarHBondContact O-N 2.81Å; D365-P368 WeakPolarHBondContact O-CD 3.44Å; D365-P368 WeakPolarHBondContact OD1-CD 3.08Å
366	I	87.8	Confident	93	Very high	4 Å²	4	17 Å²	17	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-30.6	-168.1	-56.5	-56.2	0	0	0	112.4	V361 G364 A369 I370 A417 T418 T532 F536	V361-I366 HydrophobicContact CB-CD1 4.27Å; V361-I366 HydrophobicContact CG1-CD1 4.12Å; V361-I366 HydrophobicContact CG2-CD1 3.97Å; G364-I366 PolarHBondContact O-N 3.34Å; I366-A369 WeakPolarHBondContact O-CB 3.12Å; I366-I370 HydrophobicContact CG2-CD1 3.66Å; I366-I370 HydrophobicContact CG2-CG1 4.24Å; I366-I370 WeakPolarHBondContact O-CD1 3.42Å; I366-I370 VanDerWaalsContact O-CG1 3.22Å; I366-I370 WeakPolarHBondContact O-CG1 3.44Å; I366-I370 PolarHBondContact O-N 3.1Å; I366-I370 VanDerWaalsContact O-N 3.13Å; I366-A417 HydrophobicContact CD1-CB 4.12Å; I366-T418 HydrophobicContact CG2-CG2 4.08Å; I366-T532 HydrophobicContact CD1-CG2 4.24Å; I366-T532 HydrophobicContact CG1-CG2 4.1Å; I366-F536 HydrophobicContact CB-CE2 4.14Å; I366-F536 HydrophobicContact CG1-CE2 4.19Å; I366-F536 HydrophobicContact CG2-CE2 4.45Å
367	R	87.4	Confident	93	Very high	134 Å²	134	17.6 Å²	17.6	51%	0.506	8%	0.084	S	C	.	.	H	α-helix	trans	-71.9	-55.2	-171.5	168.6	171.9	177	-149.2	-14.3	113.3	D365 A369 I370 E371 I546	D365-R367 VanDerWaalsContact C-N 3.26Å; D365-R367 PolarHBondContact O-N 2.81Å; R367-A369 PolarHBondContact O-N 2.04Å; R367-I370 PolarHBondContact O-N 3.5Å; R367-I370 VanDerWaalsContact O-N 3.12Å; R367-E371 HydrophobicContact CG-CG 4.49Å; R367-E371 IonicContact CZ-OE1 3.13Å; R367-E371 VanDerWaalsContact CZ-OE1 3.22Å; R367-E371 IonicContact NE-OE1 3.81Å; R367-E371 PolarHBondContact NE-OE1 3.02Å; R367-E371 IonicContact NH2-OE1 2.84Å; R367-E371 PolarHBondContact NH2-OE1 2.9Å; R367-E371 WeakPolarHBondContact O-CG 3.46Å; R367-E371 PolarHBondContact O-N 3.14Å; R367-I546 HydrophobicContact CB-CD1 4.19Å; R367-I546 HydrophobicContact CG-CD1 3.99Å
368	P	90.9	Very high	92.8	Very high	15 Å²	15	18.2 Å²	18.2	10%	0.097	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-30.6	176.5	-25.3	37.8	0	0	0	112.8	M324 D365 E371 T372	M324-P368 HydrophobicContact CE-CB 3.88Å; M324-P368 HydrophobicContact CE-CG 3.64Å; D365-P368 WeakPolarHBondContact O-CD 3.44Å; D365-P368 WeakPolarHBondContact OD1-CD 3.08Å; P368-E371 PolarHBondContact O-N 3.42Å; P368-T372 WeakPolarHBondContact O-CB 3.39Å; P368-T372 PolarHBondContact O-N 3.05Å; P368-T372 PolarHBondContact O-OG1 3.14Å
369	A	93.1	Very high	92.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-48.6	172.1	0	0	0	0	0	111.6	P357 Q360 V361 I366 R367 H373 L414	P357-A369 HydrophobicContact CB-CB 3.97Å; P357-A369 WeakPolarHBondContact O-CB 3.12Å; Q360-A369 HydrophobicContact CB-CB 3.81Å; V361-A369 HydrophobicContact CG2-CB 4.05Å; I366-A369 WeakPolarHBondContact O-CB 3.12Å; R367-A369 PolarHBondContact O-N 2.04Å; A369-H373 WeakPolarHBondContact O-CB 3.1Å; A369-H373 PolarHBondContact O-N 3.14Å; A369-L414 HydrophobicContact CB-CD2 4.01Å
370	I	92.9	Very high	92.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.1	-42.7	175.2	-64.2	165.5	0	0	0	111.3	I366 R367 E374 L414 Y542 A543 I546 R547	I366-I370 HydrophobicContact CG2-CD1 3.66Å; I366-I370 HydrophobicContact CG2-CG1 4.24Å; I366-I370 WeakPolarHBondContact O-CD1 3.42Å; I366-I370 VanDerWaalsContact O-CG1 3.22Å; I366-I370 WeakPolarHBondContact O-CG1 3.44Å; I366-I370 PolarHBondContact O-N 3.1Å; I366-I370 VanDerWaalsContact O-N 3.13Å; R367-I370 PolarHBondContact O-N 3.5Å; R367-I370 VanDerWaalsContact O-N 3.12Å; I370-E374 WeakPolarHBondContact O-CB 3.49Å; I370-E374 PolarHBondContact O-N 2.94Å; I370-L414 HydrophobicContact CG1-CD2 3.8Å; I370-Y542 HydrophobicContact CD1-CE1 4.41Å; I370-A543 HydrophobicContact CD1-CB 3.88Å; I370-I546 HydrophobicContact CB-CG2 4.05Å; I370-I546 HydrophobicContact CD1-CD1 3.98Å; I370-I546 HydrophobicContact CG2-CB 3.92Å; I370-I546 HydrophobicContact CG2-CG2 3.61Å; I370-R547 HydrophobicContact CG2-CG 3.35Å
371	E	92.3	Very high	92.7	Very high	29 Å²	29	22.2 Å²	22.2	14%	0.136	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-44.3	-178.9	-68.7	-179.2	-179.1	0	0	111.9	P330 P331 R367 P368 M375 I546 L550	P330-E371 WeakPolarHBondContact CB-OE2 3.48Å; P331-E371 WeakPolarHBondContact CB-O 3.47Å; R367-E371 HydrophobicContact CG-CG 4.49Å; R367-E371 IonicContact CZ-OE1 3.13Å; R367-E371 VanDerWaalsContact CZ-OE1 3.22Å; R367-E371 IonicContact NE-OE1 3.81Å; R367-E371 PolarHBondContact NE-OE1 3.02Å; R367-E371 IonicContact NH2-OE1 2.84Å; R367-E371 PolarHBondContact NH2-OE1 2.9Å; R367-E371 WeakPolarHBondContact O-CG 3.46Å; R367-E371 PolarHBondContact O-N 3.14Å; P368-E371 PolarHBondContact O-N 3.42Å; E371-M375 PolarHBondContact O-N 2.87Å; E371-I546 HydrophobicContact CG-CG2 3.37Å; E371-L550 HydrophobicContact CB-CD1 3.95Å; E371-L550 HydrophobicContact CG-CD1 4.13Å; E371-L550 WeakPolarHBondContact O-CD1 3.37Å
372	T	94.4	Very high	92.7	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-73.1	-42.1	178.6	-53.4	0	0	0	0	111.6	L333 P357 P368 M375 L376	L333-T372 HydrophobicContact CD1-CG2 4.08Å; L333-T372 HydrophobicContact CG-CG2 4.37Å; P357-T372 HydrophobicContact CG-CG2 4.03Å; P368-T372 WeakPolarHBondContact O-CB 3.39Å; P368-T372 PolarHBondContact O-N 3.05Å; P368-T372 PolarHBondContact O-OG1 3.14Å; T372-M375 WeakPolarHBondContact O-CB 3.36Å; T372-M375 PolarHBondContact O-N 3.43Å; T372-L376 HydrophobicContact CG2-CD1 4.1Å; T372-L376 WeakPolarHBondContact O-CG 3.12Å; T372-L376 PolarHBondContact O-N 3.2Å
373	H	96.7	Very high	92.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.6	-44.4	179.2	-179.2	-83.8	0	0	0	112.8	P357 A369 M375 L376 Y377 F407 T411 L414 Y423	P357-H373 HydrophobicContact CB-CB 4.32Å; P357-H373 HydrophobicContact CG-CB 4.45Å; A369-H373 WeakPolarHBondContact O-CB 3.1Å; A369-H373 PolarHBondContact O-N 3.14Å; H373-M375 VanDerWaalsContact C-N 3.3Å; H373-M375 PolarHBondContact O-N 3.25Å; H373-L376 PolarHBondContact O-N 3.2Å; H373-Y377 WeakPolarHBondContact O-CB 3.32Å; H373-Y377 PolarHBondContact O-N 2.88Å; H373-F407 AromaticContact CD2-CE2 3.53Å; H373-F407 AromaticContact CE1-CE2 3.82Å; H373-F407 AromaticContact CE1-CZ 3.56Å; H373-F407 AromaticContact NE2-CE2 3.35Å; H373-F407 WeakPolarHBondContact NE2-CE2 3.5Å; H373-F407 AromaticContact NE2-CZ 3.33Å; H373-F407 VanDerWaalsContact NE2-CZ 3.33Å; H373-F407 WeakPolarHBondContact NE2-CZ 3.24Å; H373-T411 PolarHBondContact NE2-OG1 3.38Å; H373-L414 HydrophobicContact CB-CD1 3.44Å; H373-L414 VanDerWaalsContact CB-CD1 3.44Å; H373-L414 VanDerWaalsContact CG-CD1 3.41Å; H373-Y423 AromaticContact CE1-CD1 3.76Å; H373-Y423 AromaticContact CE1-CE1 3.69Å; H373-Y423 AromaticContact ND1-CE1 3.59Å
374	E	95.2	Very high	92.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-63.7	-37.5	176	178	60.9	-149	0	0	111.2	I370 Y377 Q378 K381 Y422 R547 L550	I370-E374 WeakPolarHBondContact O-CB 3.49Å; I370-E374 PolarHBondContact O-N 2.94Å; E374-Y377 PolarHBondContact O-N 3Å; E374-Q378 WeakPolarHBondContact O-CG 3.33Å; E374-Q378 PolarHBondContact O-N 2.9Å; E374-Q378 WeakPolarHBondContact OE1-CG 2.96Å; E374-Q378 PolarHBondContact OE1-NE2 2.97Å; E374-K381 IonicContact OE1-NZ 2.79Å; E374-Y422 VanDerWaalsContact CD-OH 3.28Å; E374-Y422 PolarHBondContact OE1-OH 3.14Å; E374-Y422 WeakPolarHBondContact OE2-CE1 3.33Å; E374-Y422 PolarHBondContact OE2-OH 2.57Å; E374-R547 HydrophobicContact CB-CB 4.49Å; E374-R547 HydrophobicContact CB-CG 4.08Å; E374-R547 HydrophobicContact CG-CB 4.15Å; E374-R547 HydrophobicContact CG-CG 4.28Å; E374-L550 HydrophobicContact CB-CB 4.37Å; E374-L550 HydrophobicContact CB-CD1 4.38Å; E374-L550 HydrophobicContact CG-CB 3.71Å
375	M	94.3	Very high	93.3	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.03	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-48.1	173.6	178.5	-111.9	103	0	0	111.6	P331 L332 E371 T372 H373 Y377 Q378 V379 F390 F394	P331-M375 HydrophobicContact CB-CB 3.79Å; P331-M375 HydrophobicContact CB-CG 4.13Å; P331-M375 HydrophobicContact CG-CB 4.09Å; P331-M375 HydrophobicContact CG-CG 3.99Å; L332-M375 HydrophobicContact CD2-SD 3.9Å; E371-M375 PolarHBondContact O-N 2.87Å; T372-M375 WeakPolarHBondContact O-CB 3.36Å; T372-M375 PolarHBondContact O-N 3.43Å; H373-M375 VanDerWaalsContact C-N 3.3Å; H373-M375 PolarHBondContact O-N 3.25Å; M375-Y377 VanDerWaalsContact C-N 3.34Å; M375-Y377 PolarHBondContact O-N 3.41Å; M375-Q378 PolarHBondContact O-N 3.43Å; M375-V379 HydrophobicContact CE-CG2 3.53Å; M375-V379 PolarHBondContact O-N 3.47Å; M375-V379 VanDerWaalsContact O-N 3.15Å; M375-F390 HydrophobicContact CE-CD2 4.43Å; M375-F390 HydrophobicContact CE-CE2 3.38Å; M375-F390 HydrophobicContact CE-CZ 3.67Å; M375-F394 HydrophobicContact CE-CD1 4.07Å; M375-F394 HydrophobicContact CE-CE1 3.83Å; M375-F394 HydrophobicContact CG-CE1 3.66Å; M375-F394 HydrophobicContact CG-CZ 4.09Å; M375-F394 HydrophobicContact SD-CE1 3.87Å
376	L	96.4	Very high	93.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-42.2	175.8	-69.4	165.9	0	0	0	111.6	L353 A354 T372 H373 Q378 V379 I380 L386 F390 F407	L353-L376 HydrophobicContact CD1-CD1 4.11Å; L353-L376 HydrophobicContact CD1-CD2 4.09Å; A354-L376 HydrophobicContact CB-CD1 3.89Å; T372-L376 HydrophobicContact CG2-CD1 4.1Å; T372-L376 WeakPolarHBondContact O-CG 3.12Å; T372-L376 PolarHBondContact O-N 3.2Å; H373-L376 PolarHBondContact O-N 3.2Å; L376-Q378 VanDerWaalsContact C-N 3.27Å; L376-Q378 PolarHBondContact O-N 2.88Å; L376-V379 WeakPolarHBondContact O-CB 3.39Å; L376-V379 PolarHBondContact O-N 3.3Å; L376-V379 VanDerWaalsContact O-N 3.08Å; L376-I380 WeakPolarHBondContact O-CG1 3.49Å; L376-I380 PolarHBondContact O-N 3.08Å; L376-L386 HydrophobicContact CD2-CD1 3.82Å; L376-L386 HydrophobicContact CD2-CD2 3.97Å; L376-F390 HydrophobicContact CD2-CE1 4.19Å; L376-F390 HydrophobicContact CD2-CZ 3.79Å; L376-F407 HydrophobicContact CB-CD2 3.91Å; L376-F407 HydrophobicContact CB-CE2 3.82Å; L376-F407 HydrophobicContact CD1-CD2 4.48Å
377	Y	96.8	Very high	94	Very high	12 Å²	12	22.1 Å²	22.1	5%	0.047	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-34.7	177	-173	-153.3	0	0	0	112.3	H373 E374 M375 I380 K381 F407 Y422 V426 T429	H373-Y377 WeakPolarHBondContact O-CB 3.32Å; H373-Y377 PolarHBondContact O-N 2.88Å; E374-Y377 PolarHBondContact O-N 3Å; M375-Y377 VanDerWaalsContact C-N 3.34Å; M375-Y377 PolarHBondContact O-N 3.41Å; Y377-I380 HydrophobicContact CD2-CB 4.43Å; Y377-I380 PolarHBondContact O-N 2.75Å; Y377-K381 HydrophobicContact CD2-CG 4.32Å; Y377-K381 VanDerWaalsContact CE1-CE 3.41Å; Y377-K381 HydrophobicContact CE2-CG 4.08Å; Y377-K381 WeakPolarHBondContact O-CG 3.26Å; Y377-K381 PolarHBondContact O-N 3.05Å; Y377-F407 HydrophobicContact CD2-CZ 4.16Å; Y377-F407 HydrophobicContact CG-CZ 4.17Å; Y377-Y422 AromaticContact CD1-CE1 3.89Å; Y377-Y422 HydrophobicContact CD1-CE1 3.89Å; Y377-Y422 AromaticContact CD1-CZ 3.76Å; Y377-Y422 VanDerWaalsContact CD1-OH 3.28Å; Y377-Y422 WeakPolarHBondContact CD1-OH 3.11Å; Y377-Y422 AromaticContact CE1-CE1 3.97Å; Y377-Y422 HydrophobicContact CE1-CE1 3.97Å; Y377-Y422 HydrophobicContact CE1-CE2 4.2Å; Y377-Y422 AromaticContact CE1-CZ 3.55Å; Y377-Y422 VanDerWaalsContact CE1-OH 3.28Å; Y377-Y422 WeakPolarHBondContact CE1-OH 3.26Å; Y377-V426 HydrophobicContact CD1-CG2 3.68Å; Y377-V426 HydrophobicContact CD2-CG1 4.2Å; Y377-V426 HydrophobicContact CE1-CB 4.3Å; Y377-V426 HydrophobicContact CE1-CG2 3.42Å; Y377-V426 VanDerWaalsContact CE1-CG2 3.42Å; Y377-V426 HydrophobicContact CE2-CG1 4.19Å; Y377-V426 HydrophobicContact CE2-CG2 4.45Å; Y377-V426 HydrophobicContact CG-CG1 4.42Å; Y377-V426 HydrophobicContact CG-CG2 4.31Å; Y377-T429 HydrophobicContact CE2-CG2 4.25Å; Y377-T429 PolarHBondContact OH-OG1 3.23Å
378	Q	94.3	Very high	94.3	Very high	12 Å²	12	17.3 Å²	17.3	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-71.1	-29.8	175.3	-67.2	-72.4	-20.4	0	0	112.3	E374 M375 L376 K382 K551 V554	E374-Q378 WeakPolarHBondContact O-CG 3.33Å; E374-Q378 PolarHBondContact O-N 2.9Å; E374-Q378 WeakPolarHBondContact OE1-CG 2.96Å; E374-Q378 PolarHBondContact OE1-NE2 2.97Å; M375-Q378 PolarHBondContact O-N 3.43Å; L376-Q378 VanDerWaalsContact C-N 3.27Å; L376-Q378 PolarHBondContact O-N 2.88Å; Q378-K382 PolarHBondContact O-N 2.88Å; Q378-K551 VanDerWaalsContact NE2-C 3.32Å; Q378-K551 PolarHBondContact NE2-O 2.88Å; Q378-K551 PolarHBondContact OE1-O 3.31Å; Q378-V554 HydrophobicContact CB-CB 3.89Å; Q378-V554 HydrophobicContact CB-CG2 3.39Å
379	V	94.7	Very high	94.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.3	-43.8	168.6	-179	0	0	0	0	110.4	M375 L376 K382 H383 L386 P387 F390 F394 V554	M375-V379 HydrophobicContact CE-CG2 3.53Å; M375-V379 PolarHBondContact O-N 3.47Å; M375-V379 VanDerWaalsContact O-N 3.15Å; L376-V379 WeakPolarHBondContact O-CB 3.39Å; L376-V379 PolarHBondContact O-N 3.3Å; L376-V379 VanDerWaalsContact O-N 3.08Å; V379-K382 PolarHBondContact O-N 3.42Å; V379-K382 VanDerWaalsContact O-N 3.15Å; V379-H383 PolarHBondContact O-CD2 3.29Å; V379-H383 PolarHBondContact O-N 2.88Å; V379-L386 HydrophobicContact CB-CD1 4.09Å; V379-L386 HydrophobicContact CG1-CD1 3.86Å; V379-P387 HydrophobicContact CG1-CG 4.46Å; V379-F390 HydrophobicContact CG1-CG 4.33Å; V379-F390 HydrophobicContact CG2-CD2 4.3Å; V379-F390 HydrophobicContact CG2-CE2 4.27Å; V379-F394 HydrophobicContact CG2-CB 4.23Å; V379-F394 HydrophobicContact CG2-CD1 3.72Å; V379-F394 HydrophobicContact CG2-CG 4.31Å; V379-V554 HydrophobicContact CG2-CG2 4.3Å
380	I	95.9	Very high	94.3	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-43.3	175.5	-68.6	165.4	0	0	0	111.5	L376 Y377 K382 H383 N384 L386 F407 L430	L376-I380 WeakPolarHBondContact O-CG1 3.49Å; L376-I380 PolarHBondContact O-N 3.08Å; Y377-I380 HydrophobicContact CD2-CB 4.43Å; Y377-I380 PolarHBondContact O-N 2.75Å; I380-K382 PolarHBondContact O-N 3.47Å; I380-H383 PolarHBondContact O-N 3.26Å; I380-N384 CarbonylContact O-C 3.56Å; I380-N384 WeakPolarHBondContact O-CA 3.3Å; I380-N384 PolarHBondContact O-N 3.1Å; I380-L386 HydrophobicContact CD1-CB 4.24Å; I380-L386 HydrophobicContact CG1-CB 3.9Å; I380-F407 HydrophobicContact CD1-CB 4.37Å; I380-F407 HydrophobicContact CD1-CD1 3.35Å; I380-F407 HydrophobicContact CD1-CD2 3.77Å; I380-F407 HydrophobicContact CD1-CE1 3.44Å; I380-F407 VanDerWaalsContact CD1-CE1 3.44Å; I380-F407 HydrophobicContact CD1-CE2 3.85Å; I380-F407 HydrophobicContact CD1-CG 3.53Å; I380-F407 HydrophobicContact CD1-CZ 3.7Å; I380-L430 HydrophobicContact CG2-CD2 4.38Å
381	K	93.8	Very high	94.1	Very high	86 Å²	86	18 Å²	18	37%	0.374	9%	0.085	S	C	.	.	H	α-helix	trans	-58.9	-33.3	174.4	-74.3	174.9	-175.7	116.6	0	113	E374 Y377 Y422	E374-K381 IonicContact OE1-NZ 2.79Å; Y377-K381 HydrophobicContact CD2-CG 4.32Å; Y377-K381 VanDerWaalsContact CE1-CE 3.41Å; Y377-K381 HydrophobicContact CE2-CG 4.08Å; Y377-K381 WeakPolarHBondContact O-CG 3.26Å; Y377-K381 PolarHBondContact O-N 3.05Å; K381-Y422 PolarHBondContact NZ-OH 3.47Å; K381-Y422 VanDerWaalsContact NZ-OH 3.14Å
382	K	92.1	Very high	93.8	Very high	69 Å²	69	19.5 Å²	19.5	30%	0.3	10%	0.096	S	C	.	.	H	α-helix	trans	-80.8	-36.1	-178.9	179.7	172.5	172.6	-175.7	0	113.6	Q378 V379 I380 F394 V554 C558	Q378-K382 PolarHBondContact O-N 2.88Å; V379-K382 PolarHBondContact O-N 3.42Å; V379-K382 VanDerWaalsContact O-N 3.15Å; I380-K382 PolarHBondContact O-N 3.47Å; K382-F394 WeakPolarHBondContact CE-O 3.41Å; K382-F394 PolarHBondContact NZ-O 3.17Å; K382-V554 HydrophobicContact CB-CG1 3.96Å; K382-V554 HydrophobicContact CD-CG1 3.27Å; K382-V554 HydrophobicContact CG-CG1 4.26Å; K382-C558 PolarHBondContact NZ-SG 3.47Å
383	H	92.8	Very high	93.3	Very high	24 Å²	24	21.5 Å²	21.5	11%	0.111	11%	0.107	C	C	.	.	H	α-helix	trans	-116.9	5.4	-173	-53.5	-72.1	0	0	0	114.3	V379 I380 F385 P387 F394 V450	V379-H383 PolarHBondContact O-CD2 3.29Å; V379-H383 PolarHBondContact O-N 2.88Å; I380-H383 PolarHBondContact O-N 3.26Å; H383-F385 PolarHBondContact O-N 3.11Å; H383-P387 HydrophobicContact CB-CG 4.32Å; H383-F394 PolarHBondContact NE2-O 2.81Å; H383-V450 HydrophobicContact CB-CG2 4.32Å
384	N	93.9	Very high	92.9	Very high	50 Å²	50	21.8 Å²	21.8	27%	0.267	11%	0.108	S	C	.	.	S	Bend	trans	67.8	-32.1	-172.8	-44.4	-87.9	0	0	0	115.4	I380 N433 Y437	I380-N384 CarbonylContact O-C 3.56Å; I380-N384 WeakPolarHBondContact O-CA 3.3Å; I380-N384 PolarHBondContact O-N 3.1Å; N384-N433 PolarHBondContact O-ND2 2.92Å; N384-Y437 HydrophobicContact CB-CD2 3.86Å; N384-Y437 HydrophobicContact CB-CE2 3.5Å; N384-Y437 VanDerWaalsContact CG-CE2 3.47Å; N384-Y437 WeakPolarHBondContact OD1-CE2 3.48Å; N384-Y437 PolarHBondContact OD1-OH 2.85Å
385	F	95.8	Very high	92.5	Very high	13 Å²	13	27 Å²	27	6%	0.057	13%	0.128	C	C	.	.	S	Bend	trans	-130.3	166.4	170.8	-63.9	-77.6	0	0	0	110.3	H383 P387 H401 N433 L434 Y437 A438 M447 V450	H383-F385 PolarHBondContact O-N 3.11Å; F385-P387 WeakPolarHBondContact O-CD 3.47Å; F385-H401 HydrophobicContact CB-CB 4.16Å; F385-H401 AromaticContact CD1-CD2 3.55Å; F385-H401 AromaticContact CD1-NE2 3.42Å; F385-H401 WeakPolarHBondContact CD1-NE2 3.33Å; F385-H401 AromaticContact CG-CD2 3.67Å; F385-H401 AromaticContact CG-NE2 3.95Å; F385-N433 HydrophobicContact CE1-CB 4.32Å; F385-N433 HydrophobicContact CZ-CB 4.41Å; F385-L434 HydrophobicContact CE1-CD2 4.04Å; F385-L434 HydrophobicContact CE1-CG 4.44Å; F385-Y437 HydrophobicContact CE2-CD2 4.27Å; F385-Y437 HydrophobicContact CE2-CG 4.34Å; F385-A438 HydrophobicContact CZ-CB 4.06Å; F385-M447 HydrophobicContact CD2-CG 3.76Å; F385-M447 HydrophobicContact CE2-CG 3.66Å; F385-M447 HydrophobicContact CE2-SD 3.94Å; F385-M447 HydrophobicContact CZ-CG 4.41Å; F385-V450 HydrophobicContact CB-CG1 3.98Å; F385-V450 HydrophobicContact CD2-CG1 4.29Å
386	L	95.5	Very high	92.2	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	13%	0.133	C	C	.	.			trans	-76.7	115.8	169.5	-169.9	63.5	0	0	0	108.1	A351 A354 L376 V379 I380 F390 H401	A351-L386 HydrophobicContact CB-CD2 3.89Å; A351-L386 HydrophobicContact CB-CG 4Å; A354-L386 HydrophobicContact CB-CD2 3.85Å; L376-L386 HydrophobicContact CD2-CD1 3.82Å; L376-L386 HydrophobicContact CD2-CD2 3.97Å; V379-L386 HydrophobicContact CB-CD1 4.09Å; V379-L386 HydrophobicContact CG1-CD1 3.86Å; I380-L386 HydrophobicContact CD1-CB 4.24Å; I380-L386 HydrophobicContact CG1-CB 3.9Å; L386-F390 HydrophobicContact CD1-CD1 4.06Å; L386-F390 HydrophobicContact CD1-CE1 3.68Å; L386-F390 HydrophobicContact CD1-CZ 4.35Å; L386-F390 HydrophobicContact CG-CE1 4.34Å; L386-H401 PolarHBondContact O-ND1 2.9Å
387	P	95.3	Very high	91.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.			trans	-69.9	142.5	179.1	-7.4	22.6	0	0	0	110.1	V379 H383 F385 A389 V396 W398 V450	V379-P387 HydrophobicContact CG1-CG 4.46Å; H383-P387 HydrophobicContact CB-CG 4.32Å; F385-P387 WeakPolarHBondContact O-CD 3.47Å; P387-A389 WeakPolarHBondContact O-CA 3.49Å; P387-A389 PolarHBondContact O-N 3.38Å; P387-V396 HydrophobicContact CB-CG1 3.99Å; P387-V396 HydrophobicContact CB-CG2 4.27Å; P387-V396 HydrophobicContact CG-CG1 4.48Å; P387-V396 HydrophobicContact CG-CG2 3.85Å; P387-W398 WeakPolarHBondContact CB-O 3.33Å; P387-V450 HydrophobicContact CB-CG2 4.13Å; P387-V450 HydrophobicContact CG-CG2 4.16Å
388	E	93.4	Very high	91.3	Very high	33 Å²	33	36.4 Å²	36.4	15%	0.154	17%	0.168	C	C	.	.	S	Bend	trans	-51.1	-26.9	-176	-165.5	75.8	165.1	0	0	113	D350 A351 W398 Q400 P402 R404	D350-E388 CarbonylContact C-O 3.6Å; D350-E388 WeakPolarHBondContact CA-O 3.46Å; D350-E388 WeakPolarHBondContact CB-O 3.43Å; A351-E388 PolarHBondContact N-O 3.08Å; E388-W398 HydrophobicContact CB-CB 4.37Å; E388-W398 PolarHBondContact N-O 2.9Å; E388-Q400 HydrophobicContact CB-CB 4.06Å; E388-Q400 WeakPolarHBondContact CB-O 3.46Å; E388-Q400 PolarHBondContact N-O 3.31Å; E388-P402 WeakPolarHBondContact OE2-CD 3.35Å; E388-R404 IonicContact OE1-CZ 2.84Å; E388-R404 IonicContact OE1-NE 3.26Å; E388-R404 PolarHBondContact OE1-NE 3.02Å; E388-R404 IonicContact OE1-NH2 3Å; E388-R404 PolarHBondContact OE1-NH2 2.74Å; E388-R404 IonicContact OE2-CZ 3.49Å; E388-R404 IonicContact OE2-NE 2.83Å; E388-R404 PolarHBondContact OE2-NE 2.68Å
389	A	92.5	Very high	91.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.7	156.9	0	0	0	0	0	113.2	W348 M349 P387 H397 W398	W348-A389 HydrophobicContact CD2-CB 4.34Å; W348-A389 HydrophobicContact CE3-CB 3.67Å; W348-A389 HydrophobicContact CZ3-CB 4.01Å; M349-A389 CarbonylContact O-C 3.56Å; M349-A389 WeakPolarHBondContact O-CA 3.45Å; M349-A389 WeakPolarHBondContact O-CB 3.43Å; P387-A389 WeakPolarHBondContact O-CA 3.49Å; P387-A389 PolarHBondContact O-N 3.38Å; A389-H397 HydrophobicContact CB-CB 4.04Å; A389-H397 WeakPolarHBondContact O-CA 3.22Å; A389-H397 WeakPolarHBondContact O-CB 3.37Å; A389-H397 PolarHBondContact O-N 3.29Å; A389-W398 HydrophobicContact CB-CB 4Å; A389-W398 HydrophobicContact CB-CD2 3.8Å; A389-W398 HydrophobicContact CB-CE3 3.58Å; A389-W398 HydrophobicContact CB-CG 4.01Å; A389-W398 HydrophobicContact CB-CZ3 4.32Å; A389-W398 PolarHBondContact N-O 3.02Å; A389-W398 PolarHBondContact O-N 3.37Å; A389-W398 VanDerWaalsContact O-O 3.11Å
390	F	91.5	Very high	91	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150	178.2	60.4	-84.2	0	0	0	112.9	W348 M349 M375 L376 V379 L386 R395	W348-F390 CarbonylContact C-O 3.6Å; W348-F390 VanDerWaalsContact CA-O 3.24Å; W348-F390 WeakPolarHBondContact CA-O 3.34Å; W348-F390 VanDerWaalsContact CB-O 3.32Å; W348-F390 WeakPolarHBondContact CB-O 3.5Å; M349-F390 HydrophobicContact CB-CD2 4.42Å; M349-F390 HydrophobicContact CB-CE1 3.96Å; M349-F390 HydrophobicContact CB-CE2 3.86Å; M349-F390 HydrophobicContact CB-CZ 3.59Å; M349-F390 HydrophobicContact CE-CD2 3.89Å; M349-F390 HydrophobicContact CE-CE2 3.42Å; M349-F390 VanDerWaalsContact CE-CE2 3.42Å; M349-F390 HydrophobicContact CE-CZ 4.26Å; M349-F390 HydrophobicContact CG-CE2 4.4Å; M349-F390 HydrophobicContact CG-CZ 4.36Å; M349-F390 PolarHBondContact N-O 3.15Å; M349-F390 PolarHBondContact O-N 2.85Å; M349-F390 HydrophobicContact SD-CE2 3.71Å; M349-F390 HydrophobicContact SD-CZ 3.99Å; M375-F390 HydrophobicContact CE-CD2 4.43Å; M375-F390 HydrophobicContact CE-CE2 3.38Å; M375-F390 HydrophobicContact CE-CZ 3.67Å; L376-F390 HydrophobicContact CD2-CE1 4.19Å; L376-F390 HydrophobicContact CD2-CZ 3.79Å; V379-F390 HydrophobicContact CG1-CG 4.33Å; V379-F390 HydrophobicContact CG2-CD2 4.3Å; V379-F390 HydrophobicContact CG2-CE2 4.27Å; L386-F390 HydrophobicContact CD1-CD1 4.06Å; L386-F390 HydrophobicContact CD1-CE1 3.68Å; L386-F390 HydrophobicContact CD1-CZ 4.35Å; L386-F390 HydrophobicContact CG-CE1 4.34Å; F390-R395 CarbonylContact C-O 3.54Å; F390-R395 VanDerWaalsContact CA-O 3.23Å; F390-R395 WeakPolarHBondContact CA-O 3.5Å; F390-R395 WeakPolarHBondContact CB-O 3.41Å
391	T	89.1	Confident	91	Very high	28 Å²	28	40.7 Å²	40.7	17%	0.172	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	166	-179.8	48.9	0	0	0	0	112.7	W348 D393 F394 R395 H397	W348-T391 HydrophobicContact CB-CG2 4.44Å; T391-D393 WeakPolarHBondContact CB-OD1 3.42Å; T391-D393 PolarHBondContact O-N 3.4Å; T391-D393 VanDerWaalsContact O-N 3.16Å; T391-D393 PolarHBondContact OG1-OD1 3.21Å; T391-F394 WeakPolarHBondContact O-CA 3.3Å; T391-F394 PolarHBondContact O-N 3.38Å; T391-R395 PolarHBondContact N-O 3.13Å; T391-R395 WeakPolarHBondContact OG1-CB 3.41Å; T391-R395 PolarHBondContact OG1-N 3.3Å; T391-R395 PolarHBondContact OG1-O 3.2Å; T391-H397 HydrophobicContact CG2-CB 4.39Å
392	T	86.6	Confident	91	Very high	61 Å²	61	37 Å²	37	37%	0.374	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.7	176.3	53.1	0	0	0	0	114.9	L332 L334 M349 F394	L332-T392 HydrophobicContact CD1-CG2 4.06Å; L334-T392 HydrophobicContact CD1-CG2 3.85Å; L334-T392 HydrophobicContact CD2-CG2 3.79Å; L334-T392 HydrophobicContact CG-CG2 4.46Å; M349-T392 HydrophobicContact CE-CG2 4.37Å; T392-F394 VanDerWaalsContact C-N 3.32Å
393	D	83.6	Confident	91.3	Very high	46 Å²	46	33.7 Å²	33.7	25%	0.246	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	15.8	170.7	78.1	-33.5	0	0	0	113.5	T391 R395	T391-D393 WeakPolarHBondContact CB-OD1 3.42Å; T391-D393 PolarHBondContact O-N 3.4Å; T391-D393 VanDerWaalsContact O-N 3.16Å; T391-D393 PolarHBondContact OG1-OD1 3.21Å; D393-R395 VanDerWaalsContact C-N 3.31Å; D393-R395 PolarHBondContact O-N 2.91Å; D393-R395 IonicContact OD1-NE 2.81Å; D393-R395 WeakPolarHBondContact OD2-CD 3.42Å; D393-R395 IonicContact OD2-CZ 2.68Å; D393-R395 VanDerWaalsContact OD2-CZ 3.31Å; D393-R395 IonicContact OD2-NE 2.8Å; D393-R395 PolarHBondContact OD2-NE 3.14Å; D393-R395 IonicContact OD2-NH2 2.75Å; D393-R395 PolarHBondContact OD2-NH2 2.97Å; D393-R395 VanDerWaalsContact OD2-NH2 3.14Å
394	F	88.5	Confident	91.4	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.026	16%	0.163	C	C	.	.	S	Bend	trans	59.8	36.3	174.6	-42.8	-69.3	0	0	0	113.4	L332 M375 V379 K382 H383 T391 T392 V553 V554	L332-F394 HydrophobicContact CD2-CE1 3.85Å; L332-F394 HydrophobicContact CD2-CZ 4.03Å; M375-F394 HydrophobicContact CE-CD1 4.07Å; M375-F394 HydrophobicContact CE-CE1 3.83Å; M375-F394 HydrophobicContact CG-CE1 3.66Å; M375-F394 HydrophobicContact CG-CZ 4.09Å; M375-F394 HydrophobicContact SD-CE1 3.87Å; V379-F394 HydrophobicContact CG2-CB 4.23Å; V379-F394 HydrophobicContact CG2-CD1 3.72Å; V379-F394 HydrophobicContact CG2-CG 4.31Å; K382-F394 WeakPolarHBondContact CE-O 3.41Å; K382-F394 PolarHBondContact NZ-O 3.17Å; H383-F394 PolarHBondContact NE2-O 2.81Å; T391-F394 WeakPolarHBondContact O-CA 3.3Å; T391-F394 PolarHBondContact O-N 3.38Å; T392-F394 VanDerWaalsContact C-N 3.32Å; F394-V553 HydrophobicContact CE2-CG1 3.71Å; F394-V553 HydrophobicContact CZ-CG1 3.94Å; F394-V554 HydrophobicContact CB-CG1 4.01Å; F394-V554 HydrophobicContact CB-CG2 4.12Å; F394-V554 HydrophobicContact CD1-CG2 4.07Å; F394-V554 HydrophobicContact CD2-CB 4.24Å; F394-V554 HydrophobicContact CD2-CG2 3.74Å; F394-V554 HydrophobicContact CE1-CG2 4.44Å; F394-V554 HydrophobicContact CE2-CG2 4.13Å; F394-V554 HydrophobicContact CG-CB 4.43Å; F394-V554 HydrophobicContact CG-CG1 4.42Å; F394-V554 HydrophobicContact CG-CG2 3.7Å; F394-V554 HydrophobicContact CZ-CG2 4.46Å
395	R	86.3	Confident	91.7	Very high	111 Å²	111	32.4 Å²	32.4	42%	0.419	15%	0.15	S	C	.	.			trans	-95.5	152.3	165.5	-58.2	-172.8	-155.8	-167.8	10.7	110	F390 T391 D393 H397 E635	F390-R395 CarbonylContact C-O 3.54Å; F390-R395 VanDerWaalsContact CA-O 3.23Å; F390-R395 WeakPolarHBondContact CA-O 3.5Å; F390-R395 WeakPolarHBondContact CB-O 3.41Å; T391-R395 PolarHBondContact N-O 3.13Å; T391-R395 WeakPolarHBondContact OG1-CB 3.41Å; T391-R395 PolarHBondContact OG1-N 3.3Å; T391-R395 PolarHBondContact OG1-O 3.2Å; D393-R395 VanDerWaalsContact C-N 3.31Å; D393-R395 PolarHBondContact O-N 2.91Å; D393-R395 IonicContact OD1-NE 2.81Å; D393-R395 WeakPolarHBondContact OD2-CD 3.42Å; D393-R395 IonicContact OD2-CZ 2.68Å; D393-R395 VanDerWaalsContact OD2-CZ 3.31Å; D393-R395 IonicContact OD2-NE 2.8Å; D393-R395 PolarHBondContact OD2-NE 3.14Å; D393-R395 IonicContact OD2-NH2 2.75Å; D393-R395 PolarHBondContact OD2-NH2 2.97Å; D393-R395 VanDerWaalsContact OD2-NH2 3.14Å; R395-H397 PolarHBondContact O-N 2.97Å; R395-E635 IonicContact NH1-OE1 3.07Å; R395-E635 PolarHBondContact NH1-OE1 3.47Å
396	V	88.3	Confident	91.8	Very high	21 Å²	21	32.9 Å²	32.9	13%	0.127	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.4	175	-179.1	0	0	0	0	110.1	P387 W398 A399 V450 R451	P387-V396 HydrophobicContact CB-CG1 3.99Å; P387-V396 HydrophobicContact CB-CG2 4.27Å; P387-V396 HydrophobicContact CG-CG1 4.48Å; P387-V396 HydrophobicContact CG-CG2 3.85Å; V396-W398 WeakPolarHBondContact CG1-O 3.4Å; V396-A399 VanDerWaalsContact CG1-CA 3.42Å; V396-A399 HydrophobicContact CG1-CB 3.55Å; V396-V450 HydrophobicContact CG2-CG2 4.3Å; V396-R451 HydrophobicContact CB-CG 4.29Å; V396-R451 HydrophobicContact CG1-CG 4.39Å; V396-R451 HydrophobicContact CG2-CG 3.8Å
397	H	87.9	Confident	91.9	Very high	76 Å²	76	33 Å²	33	35%	0.352	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-57.9	169.7	-172.6	78.9	0	0	0	109.6	W348 A389 T391 R395	W348-H397 HydrophobicContact CB-CB 4.31Å; W348-H397 AromaticContact CD1-CD2 3.95Å; W348-H397 AromaticContact CD1-CE1 3.71Å; W348-H397 AromaticContact CD1-ND1 4Å; W348-H397 AromaticContact CD1-NE2 3.7Å; W348-H397 AromaticContact CG-CD2 3.93Å; W348-H397 AromaticContact NE1-CE1 3.96Å; W348-H397 AromaticContact NE1-NE2 3.58Å; A389-H397 HydrophobicContact CB-CB 4.04Å; A389-H397 WeakPolarHBondContact O-CA 3.22Å; A389-H397 WeakPolarHBondContact O-CB 3.37Å; A389-H397 PolarHBondContact O-N 3.29Å; T391-H397 HydrophobicContact CG2-CB 4.39Å; R395-H397 PolarHBondContact O-N 2.97Å
398	W	86.4	Confident	92.1	Very high	118 Å²	118	33.1 Å²	33.1	45%	0.447	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.7	168.3	-59.4	-25.4	0	0	0	108.9	W348 P387 E388 A389 V396	W348-W398 AromaticContact CH2-CH2 3.31Å; W348-W398 HydrophobicContact CH2-CH2 3.31Å; W348-W398 AromaticContact CH2-CZ2 3.99Å; W348-W398 HydrophobicContact CH2-CZ2 3.99Å; W348-W398 AromaticContact CH2-CZ3 3.64Å; W348-W398 HydrophobicContact CH2-CZ3 3.64Å; W348-W398 AromaticContact CZ2-CH2 3.65Å; W348-W398 HydrophobicContact CZ2-CH2 3.65Å; W348-W398 AromaticContact CZ2-CZ2 3.87Å; W348-W398 HydrophobicContact CZ2-CZ2 3.87Å; W348-W398 HydrophobicContact CZ2-CZ3 4.35Å; W348-W398 HydrophobicContact CZ3-CH2 4.09Å; W348-W398 AromaticContact CZ3-CZ3 3.96Å; W348-W398 HydrophobicContact CZ3-CZ3 3.96Å; P387-W398 WeakPolarHBondContact CB-O 3.33Å; E388-W398 HydrophobicContact CB-CB 4.37Å; E388-W398 PolarHBondContact N-O 2.9Å; A389-W398 HydrophobicContact CB-CB 4Å; A389-W398 HydrophobicContact CB-CD2 3.8Å; A389-W398 HydrophobicContact CB-CE3 3.58Å; A389-W398 HydrophobicContact CB-CG 4.01Å; A389-W398 HydrophobicContact CB-CZ3 4.32Å; A389-W398 PolarHBondContact N-O 3.02Å; A389-W398 PolarHBondContact O-N 3.37Å; A389-W398 VanDerWaalsContact O-O 3.11Å; V396-W398 WeakPolarHBondContact CG1-O 3.4Å
399	A	90.3	Very high	92.3	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.041	15%	0.148	C	C	.	.			trans	-99	-5.6	-164	0	0	0	0	0	114.2	V396 D449 V450	V396-A399 VanDerWaalsContact CG1-CA 3.42Å; V396-A399 HydrophobicContact CG1-CB 3.55Å; A399-D449 HydrophobicContact CB-CB 3.99Å; A399-D449 VanDerWaalsContact CB-CG 3.46Å; A399-D449 WeakPolarHBondContact CB-OD1 3.37Å; A399-D449 CarbonylContact O-C 3.57Å; A399-D449 VanDerWaalsContact O-CA 3.25Å; A399-D449 WeakPolarHBondContact O-CA 3.3Å; A399-V450 WeakPolarHBondContact O-CG1 3.39Å; A399-V450 PolarHBondContact O-N 3.14Å
400	Q	90.8	Very high	92.6	Very high	90 Å²	90	31.9 Å²	31.9	42%	0.421	15%	0.148	S	C	.	.			trans	-62	156.5	173.9	-64.7	84	-21.3	0	0	110.5	E388 M447	E388-Q400 HydrophobicContact CB-CB 4.06Å; E388-Q400 WeakPolarHBondContact CB-O 3.46Å; E388-Q400 PolarHBondContact N-O 3.31Å; Q400-M447 CarbonylContact C-O 3.56Å; Q400-M447 WeakPolarHBondContact CA-O 3.35Å
401	H	95.9	Very high	92.9	Very high	11 Å²	11	31.9 Å²	31.9	5%	0.051	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-153.5	97.5	162.7	173.7	84.5	0	0	0	107.7	F385 L386 L403 M447 V450	F385-H401 HydrophobicContact CB-CB 4.16Å; F385-H401 AromaticContact CD1-CD2 3.55Å; F385-H401 AromaticContact CD1-NE2 3.42Å; F385-H401 WeakPolarHBondContact CD1-NE2 3.33Å; F385-H401 AromaticContact CG-CD2 3.67Å; F385-H401 AromaticContact CG-NE2 3.95Å; L386-H401 PolarHBondContact O-ND1 2.9Å; H401-L403 PolarHBondContact O-N 2.93Å; H401-M447 HydrophobicContact CB-CB 4.14Å; H401-M447 HydrophobicContact CB-CG 4.5Å; H401-M447 PolarHBondContact N-O 3.08Å; H401-M447 PolarHBondContact O-N 3.39Å; H401-V450 HydrophobicContact CB-CG1 3.76Å
402	P	94.7	Very high	93.4	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.052	14%	0.143	C	C	.	.			trans	-79.3	41.3	-177	34.8	-37	0	0	0	112.8	E388 R404 A446 F462	E388-P402 WeakPolarHBondContact OE2-CD 3.35Å; P402-R404 VanDerWaalsContact C-N 3.34Å; P402-R404 HydrophobicContact CG-CG 3.99Å; P402-R404 PolarHBondContact O-N 3.11Å; P402-A446 HydrophobicContact CB-CB 4.49Å; P402-F462 WeakPolarHBondContact O-CE2 3.45Å; P402-F462 WeakPolarHBondContact O-CZ 3.37Å
403	L	97.5	Very high	93.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	13%	0.129	C	C	.	.			trans	60.7	39.3	-179	-43.6	178.2	0	0	0	113.9	H401 L434 A438 F444 M459 F463	H401-L403 PolarHBondContact O-N 2.93Å; L403-L434 HydrophobicContact CD2-CD2 4.35Å; L403-A438 HydrophobicContact CD2-CB 3.73Å; L403-F444 HydrophobicContact CD1-CB 3.87Å; L403-M459 HydrophobicContact CD1-CG 4.43Å; L403-F463 HydrophobicContact CB-CB 4.47Å; L403-F463 HydrophobicContact CB-CD2 3.39Å; L403-F463 HydrophobicContact CB-CE2 3.79Å; L403-F463 HydrophobicContact CB-CG 4.06Å; L403-F463 HydrophobicContact CD1-CB 4.49Å; L403-F463 HydrophobicContact CD1-CD1 4.02Å; L403-F463 HydrophobicContact CD1-CD2 3.8Å; L403-F463 HydrophobicContact CD1-CE1 4.17Å; L403-F463 HydrophobicContact CD1-CE2 3.94Å; L403-F463 HydrophobicContact CD1-CG 3.83Å; L403-F463 HydrophobicContact CD1-CZ 4.13Å; L403-F463 HydrophobicContact CG-CD2 4.19Å; L403-F463 HydrophobicContact CG-CE2 4.33Å
404	R	96.8	Very high	94.4	Very high	47 Å²	47	27.2 Å²	27.2	18%	0.177	12%	0.118	C	C	.	.			trans	-48.4	115.7	-179.7	-77.2	-77	172.5	-153.6	-3.3	113.5	A351 E388 P402 E406	A351-R404 HydrophobicContact CB-CG 4.41Å; E388-R404 IonicContact OE1-CZ 2.84Å; E388-R404 IonicContact OE1-NE 3.26Å; E388-R404 PolarHBondContact OE1-NE 3.02Å; E388-R404 IonicContact OE1-NH2 3Å; E388-R404 PolarHBondContact OE1-NH2 2.74Å; E388-R404 IonicContact OE2-CZ 3.49Å; E388-R404 IonicContact OE2-NE 2.83Å; E388-R404 PolarHBondContact OE2-NE 2.68Å; P402-R404 VanDerWaalsContact C-N 3.34Å; P402-R404 HydrophobicContact CG-CG 3.99Å; P402-R404 PolarHBondContact O-N 3.11Å; R404-E406 VanDerWaalsContact CA-OE2 3.3Å; R404-E406 WeakPolarHBondContact CA-OE2 3.38Å; R404-E406 WeakPolarHBondContact CB-OE2 3.38Å; R404-E406 WeakPolarHBondContact CD-OE1 3.34Å; R404-E406 VanDerWaalsContact CD-OE2 3.23Å; R404-E406 WeakPolarHBondContact CD-OE2 3.27Å; R404-E406 IonicContact CZ-OE1 3.51Å; R404-E406 IonicContact NE-OE1 2.73Å; R404-E406 IonicContact NH1-OE1 3.58Å; R404-E406 PolarHBondContact NH1-OE1 3.08Å
405	P	98.3	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.125	C	C	.	.			trans	-83.6	-18.2	-174.4	32	-34.3	0	0	0	115.3	F407 A408 E409 F462 E466 M467	P405-F407 VanDerWaalsContact C-N 3.25Å; P405-F407 PolarHBondContact O-N 2.63Å; P405-F407 VanDerWaalsContact O-N 3.1Å; P405-A408 WeakPolarHBondContact O-CA 3.32Å; P405-A408 WeakPolarHBondContact O-CB 3.35Å; P405-A408 PolarHBondContact O-N 3.49Å; P405-E409 PolarHBondContact O-N 2.6Å; P405-F462 HydrophobicContact CG-CD2 4.16Å; P405-E466 HydrophobicContact CB-CB 3.58Å; P405-E466 HydrophobicContact CG-CB 3.76Å; P405-E466 VanDerWaalsContact CG-CD 3.44Å; P405-E466 HydrophobicContact CG-CG 4.19Å; P405-E466 WeakPolarHBondContact CG-OE1 3.28Å; P405-M467 HydrophobicContact CB-CB 4.21Å; P405-M467 HydrophobicContact CB-CE 4.27Å
406	E	98.6	Very high	94.9	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.103	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-32.9	-164.2	-54.3	89.6	154.9	0	0	112.8	A354 F355 R404 E409 S410	A354-E406 CarbonylContact C-O 3.47Å; A354-E406 HydrophobicContact CB-CB 4.16Å; A354-E406 VanDerWaalsContact O-O 3.08Å; F355-E406 HydrophobicContact CB-CB 4.05Å; F355-E406 HydrophobicContact CB-CG 4.4Å; R404-E406 VanDerWaalsContact CA-OE2 3.3Å; R404-E406 WeakPolarHBondContact CA-OE2 3.38Å; R404-E406 WeakPolarHBondContact CB-OE2 3.38Å; R404-E406 WeakPolarHBondContact CD-OE1 3.34Å; R404-E406 VanDerWaalsContact CD-OE2 3.23Å; R404-E406 WeakPolarHBondContact CD-OE2 3.27Å; R404-E406 IonicContact CZ-OE1 3.51Å; R404-E406 IonicContact NE-OE1 2.73Å; R404-E406 IonicContact NH1-OE1 3.58Å; R404-E406 PolarHBondContact NH1-OE1 3.08Å; E406-E409 WeakPolarHBondContact O-CB 3.41Å; E406-E409 PolarHBondContact O-N 2.96Å; E406-S410 PolarHBondContact O-N 2.92Å
407	F	98.5	Very high	94.9	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-70.3	-29.3	175.4	-179.8	-97.1	0	0	0	113.4	A354 H373 L376 Y377 I380 P405 T411 V426 L430	A354-F407 HydrophobicContact CB-CB 3.94Å; H373-F407 AromaticContact CD2-CE2 3.53Å; H373-F407 AromaticContact CE1-CE2 3.82Å; H373-F407 AromaticContact CE1-CZ 3.56Å; H373-F407 AromaticContact NE2-CE2 3.35Å; H373-F407 WeakPolarHBondContact NE2-CE2 3.5Å; H373-F407 AromaticContact NE2-CZ 3.33Å; H373-F407 VanDerWaalsContact NE2-CZ 3.33Å; H373-F407 WeakPolarHBondContact NE2-CZ 3.24Å; L376-F407 HydrophobicContact CB-CD2 3.91Å; L376-F407 HydrophobicContact CB-CE2 3.82Å; L376-F407 HydrophobicContact CD1-CD2 4.48Å; Y377-F407 HydrophobicContact CD2-CZ 4.16Å; Y377-F407 HydrophobicContact CG-CZ 4.17Å; I380-F407 HydrophobicContact CD1-CB 4.37Å; I380-F407 HydrophobicContact CD1-CD1 3.35Å; I380-F407 HydrophobicContact CD1-CD2 3.77Å; I380-F407 HydrophobicContact CD1-CE1 3.44Å; I380-F407 VanDerWaalsContact CD1-CE1 3.44Å; I380-F407 HydrophobicContact CD1-CE2 3.85Å; I380-F407 HydrophobicContact CD1-CG 3.53Å; I380-F407 HydrophobicContact CD1-CZ 3.7Å; P405-F407 VanDerWaalsContact C-N 3.25Å; P405-F407 PolarHBondContact O-N 2.63Å; P405-F407 VanDerWaalsContact O-N 3.1Å; F407-T411 WeakPolarHBondContact O-CB 3.21Å; F407-T411 PolarHBondContact O-N 3.22Å; F407-T411 VanDerWaalsContact O-N 3.07Å; F407-T411 PolarHBondContact O-OG1 3.4Å; F407-V426 HydrophobicContact CE1-CG1 3.55Å; F407-V426 HydrophobicContact CZ-CG1 3.77Å; F407-L430 HydrophobicContact CD1-CD1 3.82Å; F407-L430 HydrophobicContact CD1-CD2 3.9Å; F407-L430 HydrophobicContact CD1-CG 4.42Å; F407-L430 HydrophobicContact CE1-CD1 3.99Å; F407-L430 HydrophobicContact CE1-CD2 3.96Å; F407-L430 HydrophobicContact CE1-CG 4.35Å
408	A	98.6	Very high	94.8	Very high	3 Å²	3	26 Å²	26	3%	0.025	12%	0.119	C	C	.	.	H	α-helix	trans	-78.9	-33.5	175.3	0	0	0	0	0	112.3	P405 T411 Y412 L430 M467 L471	P405-A408 WeakPolarHBondContact O-CA 3.32Å; P405-A408 WeakPolarHBondContact O-CB 3.35Å; P405-A408 PolarHBondContact O-N 3.49Å; A408-T411 WeakPolarHBondContact O-CB 3.25Å; A408-T411 PolarHBondContact O-N 2.91Å; A408-Y412 WeakPolarHBondContact O-CB 3.43Å; A408-Y412 PolarHBondContact O-N 2.95Å; A408-L430 HydrophobicContact CB-CD1 4.05Å; A408-M467 HydrophobicContact CB-CE 3.21Å; A408-L471 HydrophobicContact CB-CD2 4.28Å; A408-L471 HydrophobicContact CB-CG 4.42Å
409	E	98.5	Very high	94.9	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-52.6	-57.6	167.7	-179.4	-169.2	-167.2	0	0	109.9	F355 P405 E406 T411 Y412 F413 Y470	F355-E409 WeakPolarHBondContact CB-OE2 3.38Å; P405-E409 PolarHBondContact O-N 2.6Å; E406-E409 WeakPolarHBondContact O-CB 3.41Å; E406-E409 PolarHBondContact O-N 2.96Å; E409-T411 VanDerWaalsContact C-N 3.26Å; E409-T411 PolarHBondContact O-N 3.03Å; E409-Y412 WeakPolarHBondContact O-CB 2.99Å; E409-Y412 PolarHBondContact O-N 2.65Å; E409-Y412 VanDerWaalsContact O-N 3.07Å; E409-F413 HydrophobicContact CG-CD2 3.69Å; E409-F413 HydrophobicContact CG-CE2 3.56Å; E409-F413 WeakPolarHBondContact O-CD2 3.37Å; E409-F413 PolarHBondContact O-N 2.68Å; E409-Y470 HydrophobicContact CB-CD1 4.4Å; E409-Y470 HydrophobicContact CB-CD2 3.85Å; E409-Y470 HydrophobicContact CB-CE1 4.2Å; E409-Y470 HydrophobicContact CB-CE2 3.61Å; E409-Y470 HydrophobicContact CB-CG 4.24Å; E409-Y470 HydrophobicContact CG-CD1 4.46Å; E409-Y470 HydrophobicContact CG-CE1 3.88Å; E409-Y470 HydrophobicContact CG-CE2 3.96Å
410	S	98.4	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58	-36.6	176.9	-77.6	0	0	0	0	113.2	A354 F355 G358 E406 L414	A354-S410 WeakPolarHBondContact O-CB 3.32Å; A354-S410 PolarHBondContact O-OG 2.66Å; F355-S410 PolarHBondContact O-OG 3.29Å; G358-S410 PolarHBondContact N-OG 3.36Å; E406-S410 PolarHBondContact O-N 2.92Å; S410-L414 VanDerWaalsContact O-CB 3.25Å; S410-L414 WeakPolarHBondContact O-CB 3.49Å; S410-L414 WeakPolarHBondContact O-CG 3.35Å; S410-L414 PolarHBondContact O-N 3.35Å
411	T	98.5	Very high	94.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-41.5	175.7	-57.3	0	0	0	0	111.7	H373 F407 A408 E409 Y415 Y423 V426 L474	H373-T411 PolarHBondContact NE2-OG1 3.38Å; F407-T411 WeakPolarHBondContact O-CB 3.21Å; F407-T411 PolarHBondContact O-N 3.22Å; F407-T411 VanDerWaalsContact O-N 3.07Å; F407-T411 PolarHBondContact O-OG1 3.4Å; A408-T411 WeakPolarHBondContact O-CB 3.25Å; A408-T411 PolarHBondContact O-N 2.91Å; E409-T411 VanDerWaalsContact C-N 3.26Å; E409-T411 PolarHBondContact O-N 3.03Å; T411-Y415 WeakPolarHBondContact O-CB 3.27Å; T411-Y415 PolarHBondContact O-N 2.7Å; T411-Y423 HydrophobicContact CG2-CD1 4.36Å; T411-Y423 WeakPolarHBondContact CG2-O 3.45Å; T411-V426 HydrophobicContact CG2-CB 3.94Å; T411-V426 HydrophobicContact CG2-CG1 3.79Å; T411-L474 HydrophobicContact CG2-CD1 4.45Å; T411-L474 HydrophobicContact CG2-CD2 3.89Å
412	Y	97.8	Very high	94.6	Very high	14 Å²	14	21.3 Å²	21.3	6%	0.055	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-50.7	176	165.7	-108.1	0	0	0	111.7	A408 E409 L414 Y415 K416 Y470 L473	A408-Y412 WeakPolarHBondContact O-CB 3.43Å; A408-Y412 PolarHBondContact O-N 2.95Å; E409-Y412 WeakPolarHBondContact O-CB 2.99Å; E409-Y412 PolarHBondContact O-N 2.65Å; E409-Y412 VanDerWaalsContact O-N 3.07Å; Y412-L414 PolarHBondContact O-N 2.61Å; Y412-Y415 PolarHBondContact O-N 2.83Å; Y412-K416 HydrophobicContact CE1-CD 4.17Å; Y412-K416 HydrophobicContact CE2-CD 4.49Å; Y412-K416 VanDerWaalsContact O-CB 3.27Å; Y412-K416 WeakPolarHBondContact O-CB 3.48Å; Y412-K416 PolarHBondContact O-N 2.98Å; Y412-Y470 HydrophobicContact CD1-CD1 4.05Å; Y412-Y470 HydrophobicContact CG-CD1 4.48Å; Y412-L473 HydrophobicContact CD2-CB 3.84Å; Y412-L473 HydrophobicContact CE2-CB 3.53Å; Y412-L473 WeakPolarHBondContact CE2-O 3.43Å
413	F	96.3	Very high	94.7	Very high	22 Å²	22	21 Å²	21	10%	0.096	12%	0.115	C	C	.	.	H	α-helix	trans	-64	-42.2	179.1	-76.4	-68.1	0	0	0	112.5	V361 E409 Y415 K416 A417 F490	V361-F413 HydrophobicContact CB-CB 4.18Å; V361-F413 HydrophobicContact CG1-CB 3.97Å; E409-F413 HydrophobicContact CG-CD2 3.69Å; E409-F413 HydrophobicContact CG-CE2 3.56Å; E409-F413 WeakPolarHBondContact O-CD2 3.37Å; E409-F413 PolarHBondContact O-N 2.68Å; F413-Y415 PolarHBondContact O-N 3.36Å; F413-K416 HydrophobicContact CD1-CD 4.48Å; F413-K416 PolarHBondContact O-N 3.21Å; F413-A417 WeakPolarHBondContact O-CB 3.37Å; F413-A417 PolarHBondContact O-N 3.33Å; F413-F490 HydrophobicContact CZ-CD2 4.29Å
414	L	95.1	Very high	94.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.4	-79.7	166	0	0	0	112.4	P357 V361 A369 I370 H373 S410 Y412 T418 Y423	P357-L414 HydrophobicContact CB-CD1 4.42Å; V361-L414 HydrophobicContact CG2-CD2 3.53Å; V361-L414 HydrophobicContact CG2-CG 3.86Å; A369-L414 HydrophobicContact CB-CD2 4.01Å; I370-L414 HydrophobicContact CG1-CD2 3.8Å; H373-L414 HydrophobicContact CB-CD1 3.44Å; H373-L414 VanDerWaalsContact CB-CD1 3.44Å; H373-L414 VanDerWaalsContact CG-CD1 3.41Å; S410-L414 VanDerWaalsContact O-CB 3.25Å; S410-L414 WeakPolarHBondContact O-CB 3.49Å; S410-L414 WeakPolarHBondContact O-CG 3.35Å; S410-L414 PolarHBondContact O-N 3.35Å; Y412-L414 PolarHBondContact O-N 2.61Å; L414-T418 WeakPolarHBondContact O-CB 3.41Å; L414-T418 WeakPolarHBondContact O-CG2 3.33Å; L414-T418 PolarHBondContact O-N 3.23Å; L414-T418 PolarHBondContact O-OG1 3.45Å; L414-Y423 HydrophobicContact CB-CD1 4.11Å; L414-Y423 HydrophobicContact CB-CD2 4.21Å; L414-Y423 HydrophobicContact CB-CE1 3.82Å; L414-Y423 HydrophobicContact CB-CE2 3.92Å; L414-Y423 HydrophobicContact CB-CG 4.32Å; L414-Y423 HydrophobicContact CD1-CE1 3.92Å; L414-Y423 HydrophobicContact CG-CE1 4.43Å
415	Y	94.3	Very high	94.6	Very high	48 Å²	48	21.4 Å²	21.4	19%	0.188	12%	0.119	C	C	.	.	H	α-helix	trans	-61.3	-49.4	172.5	177.8	-114.2	0	0	0	111.6	K50 T411 Y412 F413 A417 T418 G419 L424 L474	K50-Y415 PolarHBondContact NZ-OH 3.34Å; T411-Y415 WeakPolarHBondContact O-CB 3.27Å; T411-Y415 PolarHBondContact O-N 2.7Å; Y412-Y415 PolarHBondContact O-N 2.83Å; F413-Y415 PolarHBondContact O-N 3.36Å; Y415-A417 VanDerWaalsContact C-N 3.32Å; Y415-A417 PolarHBondContact O-N 3.42Å; Y415-T418 PolarHBondContact O-N 3.03Å; Y415-G419 WeakPolarHBondContact O-CA 3.43Å; Y415-G419 PolarHBondContact O-N 3.08Å; Y415-L424 HydrophobicContact CD1-CD2 4.27Å; Y415-L424 HydrophobicContact CD2-CD2 4.11Å; Y415-L424 HydrophobicContact CD2-CG 4.09Å; Y415-L424 HydrophobicContact CE1-CD2 3.99Å; Y415-L424 HydrophobicContact CE2-CD1 3.91Å; Y415-L424 HydrophobicContact CE2-CD2 3.85Å; Y415-L424 HydrophobicContact CE2-CG 3.76Å; Y415-L424 HydrophobicContact CG-CD2 4.32Å; Y415-L474 HydrophobicContact CD1-CD1 3.73Å; Y415-L474 HydrophobicContact CG-CD1 3.69Å
416	K	90.6	Very high	94.6	Very high	78 Å²	78	21.4 Å²	21.4	34%	0.339	12%	0.119	S	C	.	.	H	α-helix	trans	-57.9	-40.5	-179.2	178.6	176.4	176.8	171.6	0	112.6	Y412 F413 E486	Y412-K416 HydrophobicContact CE1-CD 4.17Å; Y412-K416 HydrophobicContact CE2-CD 4.49Å; Y412-K416 VanDerWaalsContact O-CB 3.27Å; Y412-K416 WeakPolarHBondContact O-CB 3.48Å; Y412-K416 PolarHBondContact O-N 2.98Å; F413-K416 HydrophobicContact CD1-CD 4.48Å; F413-K416 PolarHBondContact O-N 3.21Å; K416-E486 VanDerWaalsContact CE-CD 3.49Å; K416-E486 WeakPolarHBondContact CE-OE1 3.37Å; K416-E486 WeakPolarHBondContact CE-OE2 3.38Å; K416-E486 IonicContact NZ-OE1 3.3Å; K416-E486 PolarHBondContact NZ-OE1 3.41Å; K416-E486 IonicContact NZ-OE2 3.67Å; K416-E486 PolarHBondContact NZ-OE2 3.24Å
417	A	88.4	Confident	94.6	Very high	20 Å²	20	20.3 Å²	20.3	17%	0.165	11%	0.114	C	C	.	.	H	α-helix	trans	-79.1	-38.7	179.7	0	0	0	0	0	113.7	V361 I366 F413 Y415 T532	V361-A417 HydrophobicContact CG1-CB 3.57Å; I366-A417 HydrophobicContact CD1-CB 4.12Å; F413-A417 WeakPolarHBondContact O-CB 3.37Å; F413-A417 PolarHBondContact O-N 3.33Å; Y415-A417 VanDerWaalsContact C-N 3.32Å; Y415-A417 PolarHBondContact O-N 3.42Å; A417-T532 HydrophobicContact CB-CG2 4.14Å; A417-T532 WeakPolarHBondContact O-CB 3.09Å; A417-T532 VanDerWaalsContact O-CG2 3.27Å; A417-T532 WeakPolarHBondContact O-CG2 3.38Å; A417-T532 PolarHBondContact O-OG1 3.09Å
418	T	87.6	Confident	94.5	Very high	44 Å²	44	21.6 Å²	21.6	27%	0.27	12%	0.12	S	C	.	.	H	α-helix	trans	-99.1	-25.6	-171.1	64.1	0	0	0	0	114.8	I366 L414 Y415 D420 Y423	I366-T418 HydrophobicContact CG2-CG2 4.08Å; L414-T418 WeakPolarHBondContact O-CB 3.41Å; L414-T418 WeakPolarHBondContact O-CG2 3.33Å; L414-T418 PolarHBondContact O-N 3.23Å; L414-T418 PolarHBondContact O-OG1 3.45Å; Y415-T418 PolarHBondContact O-N 3.03Å; T418-D420 PolarHBondContact O-N 3.15Å; T418-D420 WeakPolarHBondContact OG1-CB 3.28Å; T418-D420 PolarHBondContact OG1-N 3.28Å; T418-Y423 WeakPolarHBondContact OG1-CE2 3.29Å
419	G	87.4	Confident	94.5	Very high	49 Å²	49	23 Å²	23	51%	0.505	13%	0.128	S	C	.	.			trans	66.8	5.6	-168.3	0	0	0	0	0	114.9	Y415 P421	Y415-G419 WeakPolarHBondContact O-CA 3.43Å; Y415-G419 PolarHBondContact O-N 3.08Å; G419-P421 WeakPolarHBondContact O-CD 3.28Å
420	D	89.1	Confident	94.5	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.102	13%	0.131	C	C	.	.			trans	-67.8	117	-174.4	-178.5	-14.2	0	0	0	110.7	T418 Y422 Y423 A543 R547	T418-D420 PolarHBondContact O-N 3.15Å; T418-D420 WeakPolarHBondContact OG1-CB 3.28Å; T418-D420 PolarHBondContact OG1-N 3.28Å; D420-Y422 PolarHBondContact O-N 2.86Å; D420-Y422 WeakPolarHBondContact OD1-CB 3.09Å; D420-Y422 PolarHBondContact OD1-N 3.31Å; D420-Y423 HydrophobicContact CB-CD2 3.87Å; D420-Y423 HydrophobicContact CB-CE2 3.8Å; D420-Y423 WeakPolarHBondContact O-CD2 3.47Å; D420-Y423 PolarHBondContact O-N 3.19Å; D420-A543 HydrophobicContact CB-CB 4.39Å; D420-A543 VanDerWaalsContact OD2-CB 3.3Å; D420-A543 WeakPolarHBondContact OD2-CB 3.41Å; D420-R547 IonicContact OD1-NH2 3.16Å; D420-R547 PolarHBondContact OD1-NH2 2.86Å; D420-R547 IonicContact OD2-CZ 3.99Å; D420-R547 IonicContact OD2-NE 3.31Å; D420-R547 PolarHBondContact OD2-NE 3.26Å; D420-R547 IonicContact OD2-NH2 2.75Å; D420-R547 PolarHBondContact OD2-NH2 2.99Å
421	P	90.4	Very high	94.5	Very high	34 Å²	34	23.6 Å²	23.6	22%	0.221	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-11	-176.4	27.9	-35.5	0	0	0	113.4	G419 Y423 L424 E425	G419-P421 WeakPolarHBondContact O-CD 3.28Å; P421-Y423 VanDerWaalsContact C-N 3.26Å; P421-Y423 PolarHBondContact O-N 2.67Å; P421-L424 HydrophobicContact CB-CD1 4.48Å; P421-L424 WeakPolarHBondContact O-CB 3.39Å; P421-L424 PolarHBondContact O-N 3.05Å; P421-E425 PolarHBondContact O-N 3.45Å
422	Y	92.4	Very high	94.5	Very high	23 Å²	23	28.7 Å²	28.7	9%	0.09	16%	0.155	C	C	.	.	H	α-helix	trans	-56.9	-38.2	172.4	-177	-110.7	0	0	0	113	E374 Y377 K381 D420 L424 E425 V426 R547	E374-Y422 VanDerWaalsContact CD-OH 3.28Å; E374-Y422 PolarHBondContact OE1-OH 3.14Å; E374-Y422 WeakPolarHBondContact OE2-CE1 3.33Å; E374-Y422 PolarHBondContact OE2-OH 2.57Å; Y377-Y422 AromaticContact CD1-CE1 3.89Å; Y377-Y422 HydrophobicContact CD1-CE1 3.89Å; Y377-Y422 AromaticContact CD1-CZ 3.76Å; Y377-Y422 VanDerWaalsContact CD1-OH 3.28Å; Y377-Y422 WeakPolarHBondContact CD1-OH 3.11Å; Y377-Y422 AromaticContact CE1-CE1 3.97Å; Y377-Y422 HydrophobicContact CE1-CE1 3.97Å; Y377-Y422 HydrophobicContact CE1-CE2 4.2Å; Y377-Y422 AromaticContact CE1-CZ 3.55Å; Y377-Y422 VanDerWaalsContact CE1-OH 3.28Å; Y377-Y422 WeakPolarHBondContact CE1-OH 3.26Å; K381-Y422 PolarHBondContact NZ-OH 3.47Å; K381-Y422 VanDerWaalsContact NZ-OH 3.14Å; D420-Y422 PolarHBondContact O-N 2.86Å; D420-Y422 WeakPolarHBondContact OD1-CB 3.09Å; D420-Y422 PolarHBondContact OD1-N 3.31Å; Y422-L424 PolarHBondContact O-N 3.2Å; Y422-E425 PolarHBondContact O-N 3.12Å; Y422-E425 VanDerWaalsContact O-N 3.08Å; Y422-V426 HydrophobicContact CD1-CG2 3.94Å; Y422-V426 HydrophobicContact CE1-CG2 3.9Å; Y422-V426 WeakPolarHBondContact O-CG2 3.12Å; Y422-V426 PolarHBondContact O-N 3.4Å; Y422-R547 VanDerWaalsContact CG-CZ 3.43Å
423	Y	96.1	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.5	-22.9	-179.1	-62.2	-65.1	0	0	0	112.8	H373 T411 L414 T418 D420 P421 V426 G427	H373-Y423 AromaticContact CE1-CD1 3.76Å; H373-Y423 AromaticContact CE1-CE1 3.69Å; H373-Y423 AromaticContact ND1-CE1 3.59Å; T411-Y423 HydrophobicContact CG2-CD1 4.36Å; T411-Y423 WeakPolarHBondContact CG2-O 3.45Å; L414-Y423 HydrophobicContact CB-CD1 4.11Å; L414-Y423 HydrophobicContact CB-CD2 4.21Å; L414-Y423 HydrophobicContact CB-CE1 3.82Å; L414-Y423 HydrophobicContact CB-CE2 3.92Å; L414-Y423 HydrophobicContact CB-CG 4.32Å; L414-Y423 HydrophobicContact CD1-CE1 3.92Å; L414-Y423 HydrophobicContact CG-CE1 4.43Å; T418-Y423 WeakPolarHBondContact OG1-CE2 3.29Å; D420-Y423 HydrophobicContact CB-CD2 3.87Å; D420-Y423 HydrophobicContact CB-CE2 3.8Å; D420-Y423 WeakPolarHBondContact O-CD2 3.47Å; D420-Y423 PolarHBondContact O-N 3.19Å; P421-Y423 VanDerWaalsContact C-N 3.26Å; P421-Y423 PolarHBondContact O-N 2.67Å; Y423-V426 HydrophobicContact CD1-CG2 4.32Å; Y423-V426 WeakPolarHBondContact O-CB 3.37Å; Y423-V426 PolarHBondContact O-N 3.32Å; Y423-G427 PolarHBondContact O-N 3.3Å
424	L	96.7	Very high	94.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-69.1	-41.4	170	-57.1	174.7	0	0	0	111.2	M45 Y415 P421 Y422 V426 G427 K428 L474 F475	M45-L424 HydrophobicContact CB-CD1 3.93Å; M45-L424 HydrophobicContact CE-CB 3.7Å; M45-L424 HydrophobicContact SD-CB 3.92Å; M45-L424 HydrophobicContact SD-CD1 4.31Å; Y415-L424 HydrophobicContact CD1-CD2 4.27Å; Y415-L424 HydrophobicContact CD2-CD2 4.11Å; Y415-L424 HydrophobicContact CD2-CG 4.09Å; Y415-L424 HydrophobicContact CE1-CD2 3.99Å; Y415-L424 HydrophobicContact CE2-CD1 3.91Å; Y415-L424 HydrophobicContact CE2-CD2 3.85Å; Y415-L424 HydrophobicContact CE2-CG 3.76Å; Y415-L424 HydrophobicContact CG-CD2 4.32Å; P421-L424 HydrophobicContact CB-CD1 4.48Å; P421-L424 WeakPolarHBondContact O-CB 3.39Å; P421-L424 PolarHBondContact O-N 3.05Å; Y422-L424 PolarHBondContact O-N 3.2Å; L424-V426 VanDerWaalsContact C-N 3.34Å; L424-G427 PolarHBondContact O-N 3.45Å; L424-K428 VanDerWaalsContact O-CB 3.27Å; L424-K428 WeakPolarHBondContact O-CB 3.4Å; L424-K428 PolarHBondContact O-N 3.01Å; L424-L474 HydrophobicContact CD2-CD1 4.03Å; L424-L474 HydrophobicContact CD2-CG 4.18Å; L424-L474 VanDerWaalsContact CD2-O 3.22Å; L424-L474 WeakPolarHBondContact CD2-O 3.18Å; L424-F475 HydrophobicContact CB-CE1 4Å; L424-F475 HydrophobicContact CD2-CD1 4.01Å; L424-F475 HydrophobicContact CD2-CE1 3.91Å; L424-F475 WeakPolarHBondContact O-CZ 3.39Å
425	E	95.8	Very high	94.8	Very high	53 Å²	53	29.8 Å²	29.8	25%	0.248	16%	0.163	C	C	.	.	H	α-helix	trans	-70	-28.7	173.5	-65.1	-64.6	128.5	0	0	112.5	M45 P421 Y422 K428 T429	M45-E425 WeakPolarHBondContact CE-OE1 3.5Å; P421-E425 PolarHBondContact O-N 3.45Å; Y422-E425 PolarHBondContact O-N 3.12Å; Y422-E425 VanDerWaalsContact O-N 3.08Å; E425-K428 VanDerWaalsContact CD-NZ 3.3Å; E425-K428 IonicContact OE1-NZ 2.74Å; E425-K428 PolarHBondContact OE1-NZ 2.95Å; E425-K428 WeakPolarHBondContact OE2-CD 3.25Å; E425-K428 WeakPolarHBondContact OE2-CE 3.36Å; E425-K428 IonicContact OE2-NZ 3.02Å; E425-K428 PolarHBondContact OE2-NZ 3.17Å; E425-T429 PolarHBondContact O-N 2.93Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 2.88Å
426	V	97.6	Very high	95	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-56.4	167	178.2	0	0	0	0	109.9	Y377 F407 T411 Y422 Y423 L424 K428 T429 L430	Y377-V426 HydrophobicContact CD1-CG2 3.68Å; Y377-V426 HydrophobicContact CD2-CG1 4.2Å; Y377-V426 HydrophobicContact CE1-CB 4.3Å; Y377-V426 HydrophobicContact CE1-CG2 3.42Å; Y377-V426 VanDerWaalsContact CE1-CG2 3.42Å; Y377-V426 HydrophobicContact CE2-CG1 4.19Å; Y377-V426 HydrophobicContact CE2-CG2 4.45Å; Y377-V426 HydrophobicContact CG-CG1 4.42Å; Y377-V426 HydrophobicContact CG-CG2 4.31Å; F407-V426 HydrophobicContact CE1-CG1 3.55Å; F407-V426 HydrophobicContact CZ-CG1 3.77Å; T411-V426 HydrophobicContact CG2-CB 3.94Å; T411-V426 HydrophobicContact CG2-CG1 3.79Å; Y422-V426 HydrophobicContact CD1-CG2 3.94Å; Y422-V426 HydrophobicContact CE1-CG2 3.9Å; Y422-V426 WeakPolarHBondContact O-CG2 3.12Å; Y422-V426 PolarHBondContact O-N 3.4Å; Y423-V426 HydrophobicContact CD1-CG2 4.32Å; Y423-V426 WeakPolarHBondContact O-CB 3.37Å; Y423-V426 PolarHBondContact O-N 3.32Å; L424-V426 VanDerWaalsContact C-N 3.34Å; V426-K428 VanDerWaalsContact C-N 3.29Å; V426-K428 PolarHBondContact O-N 3.42Å; V426-T429 WeakPolarHBondContact O-CA 3.47Å; V426-T429 WeakPolarHBondContact O-CB 3.03Å; V426-T429 PolarHBondContact O-N 3.4Å; V426-L430 PolarHBondContact O-N 3.46Å
427	G	98	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-37.8	-179.2	0	0	0	0	0	113.5	Y423 L424 T429 L430 I431	Y423-G427 PolarHBondContact O-N 3.3Å; L424-G427 PolarHBondContact O-N 3.45Å; G427-T429 VanDerWaalsContact C-N 3.35Å; G427-T429 PolarHBondContact O-N 2.94Å; G427-L430 WeakPolarHBondContact O-CB 3.43Å; G427-L430 PolarHBondContact O-N 3.4Å; G427-L430 VanDerWaalsContact O-N 3.16Å; G427-I431 WeakPolarHBondContact O-CG1 3.34Å; G427-I431 PolarHBondContact O-N 3.3Å
428	K	98	Very high	95.7	Very high	34 Å²	34	32.7 Å²	32.7	15%	0.148	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-42.6	172.5	174.5	174.3	163.4	-176.3	0	111.8	M45 E49 L53 L424 E425 V426 L430 I431 E432	M45-K428 HydrophobicContact CE-CB 4.5Å; M45-K428 HydrophobicContact CE-CD 3.85Å; E49-K428 WeakPolarHBondContact OE1-CE 3.32Å; E49-K428 IonicContact OE1-NZ 2.97Å; E49-K428 PolarHBondContact OE1-NZ 3.33Å; L53-K428 HydrophobicContact CD1-CB 3.97Å; L53-K428 HydrophobicContact CD1-CD 4.08Å; L53-K428 HydrophobicContact CD1-CG 4.15Å; L53-K428 HydrophobicContact CD2-CB 4.44Å; L53-K428 HydrophobicContact CD2-CG 4.18Å; L424-K428 VanDerWaalsContact O-CB 3.27Å; L424-K428 WeakPolarHBondContact O-CB 3.4Å; L424-K428 PolarHBondContact O-N 3.01Å; E425-K428 VanDerWaalsContact CD-NZ 3.3Å; E425-K428 IonicContact OE1-NZ 2.74Å; E425-K428 PolarHBondContact OE1-NZ 2.95Å; E425-K428 WeakPolarHBondContact OE2-CD 3.25Å; E425-K428 WeakPolarHBondContact OE2-CE 3.36Å; E425-K428 IonicContact OE2-NZ 3.02Å; E425-K428 PolarHBondContact OE2-NZ 3.17Å; V426-K428 VanDerWaalsContact C-N 3.29Å; V426-K428 PolarHBondContact O-N 3.42Å; K428-L430 VanDerWaalsContact C-N 3.32Å; K428-L430 PolarHBondContact O-N 2.98Å; K428-I431 PolarHBondContact O-N 3.09Å; K428-E432 WeakPolarHBondContact O-CB 3.42Å; K428-E432 WeakPolarHBondContact O-CG 3.33Å; K428-E432 PolarHBondContact O-N 3.17Å
429	T	98	Very high	96.3	Very high	34 Å²	34	33.8 Å²	33.8	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-35.6	174.4	-56	0	0	0	0	111.8	Y377 E425 V426 G427 N433	Y377-T429 HydrophobicContact CE2-CG2 4.25Å; Y377-T429 PolarHBondContact OH-OG1 3.23Å; E425-T429 PolarHBondContact O-N 2.93Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 2.88Å; V426-T429 WeakPolarHBondContact O-CA 3.47Å; V426-T429 WeakPolarHBondContact O-CB 3.03Å; V426-T429 PolarHBondContact O-N 3.4Å; G427-T429 VanDerWaalsContact C-N 3.35Å; G427-T429 PolarHBondContact O-N 2.94Å; T429-N433 WeakPolarHBondContact O-CB 3.29Å; T429-N433 VanDerWaalsContact O-CG 3.29Å; T429-N433 PolarHBondContact O-N 2.95Å
430	L	98.4	Very high	96.8	Very high	19 Å²	19	32.2 Å²	32.2	10%	0.099	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-47	173.2	-58.9	176.8	0	0	0	111.7	I380 F407 A408 V426 G427 K428 E432 N433 L434 L471	I380-L430 HydrophobicContact CG2-CD2 4.38Å; F407-L430 HydrophobicContact CD1-CD1 3.82Å; F407-L430 HydrophobicContact CD1-CD2 3.9Å; F407-L430 HydrophobicContact CD1-CG 4.42Å; F407-L430 HydrophobicContact CE1-CD1 3.99Å; F407-L430 HydrophobicContact CE1-CD2 3.96Å; F407-L430 HydrophobicContact CE1-CG 4.35Å; A408-L430 HydrophobicContact CB-CD1 4.05Å; V426-L430 PolarHBondContact O-N 3.46Å; G427-L430 WeakPolarHBondContact O-CB 3.43Å; G427-L430 PolarHBondContact O-N 3.4Å; G427-L430 VanDerWaalsContact O-N 3.16Å; K428-L430 VanDerWaalsContact C-N 3.32Å; K428-L430 PolarHBondContact O-N 2.98Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 3Å; L430-N433 PolarHBondContact O-N 3.38Å; L430-L434 WeakPolarHBondContact O-CB 3.48Å; L430-L434 WeakPolarHBondContact O-CG 3.46Å; L430-L434 PolarHBondContact O-N 3Å; L430-L471 HydrophobicContact CB-CD2 4.31Å; L430-L471 HydrophobicContact CD1-CD2 4.23Å
431	I	98.5	Very high	97.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-43.7	175.3	-72.7	166.8	0	0	0	111.3	L53 Q56 V57 M60 G427 K428 N435 L471 F475	L53-I431 HydrophobicContact CB-CD1 4.3Å; L53-I431 HydrophobicContact CD2-CD1 4.25Å; Q56-I431 HydrophobicContact CG-CG2 3.93Å; Q56-I431 VanDerWaalsContact NE2-CG2 3.34Å; V57-I431 HydrophobicContact CG2-CD1 3.49Å; V57-I431 VanDerWaalsContact CG2-CD1 3.49Å; V57-I431 HydrophobicContact CG2-CG1 4Å; M60-I431 HydrophobicContact SD-CG2 3.95Å; G427-I431 WeakPolarHBondContact O-CG1 3.34Å; G427-I431 PolarHBondContact O-N 3.3Å; K428-I431 PolarHBondContact O-N 3.09Å; I431-N435 WeakPolarHBondContact O-CB 3.35Å; I431-N435 PolarHBondContact O-N 3.31Å; I431-N435 VanDerWaalsContact O-N 3.12Å; I431-N435 PolarHBondContact O-ND2 3.39Å; I431-L471 HydrophobicContact CG1-CD1 4.24Å; I431-L471 HydrophobicContact CG1-CD2 4.45Å; I431-F475 HydrophobicContact CD1-CD2 3.93Å; I431-F475 HydrophobicContact CD1-CE2 3.42Å; I431-F475 VanDerWaalsContact CD1-CE2 3.42Å; I431-F475 HydrophobicContact CD1-CZ 4.23Å
432	E	98.3	Very high	97.6	Very high	107 Å²	107	35.5 Å²	35.5	50%	0.5	17%	0.174	S	C	.	.	H	α-helix	trans	-65.4	-46.7	176.8	-74.9	-178.1	-165.8	0	0	111.6	K428 L430 N435 K436	K428-E432 WeakPolarHBondContact O-CB 3.42Å; K428-E432 WeakPolarHBondContact O-CG 3.33Å; K428-E432 PolarHBondContact O-N 3.17Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 3Å; E432-N435 PolarHBondContact O-N 2.62Å; E432-K436 WeakPolarHBondContact O-CB 3.32Å; E432-K436 PolarHBondContact O-N 3.44Å
433	N	98.2	Very high	97.8	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-40.6	-180	-74	-13	0	0	0	112.6	N384 F385 T429 L430 K436 Y437	N384-N433 PolarHBondContact O-ND2 2.92Å; F385-N433 HydrophobicContact CE1-CB 4.32Å; F385-N433 HydrophobicContact CZ-CB 4.41Å; T429-N433 WeakPolarHBondContact O-CB 3.29Å; T429-N433 VanDerWaalsContact O-CG 3.29Å; T429-N433 PolarHBondContact O-N 2.95Å; L430-N433 PolarHBondContact O-N 3.38Å; N433-K436 PolarHBondContact O-N 2.75Å; N433-Y437 HydrophobicContact CB-CD2 4.07Å; N433-Y437 HydrophobicContact CB-CE2 4.41Å; N433-Y437 WeakPolarHBondContact O-CB 3.36Å; N433-Y437 WeakPolarHBondContact O-CD2 3.4Å; N433-Y437 PolarHBondContact O-N 3.08Å
434	L	98.6	Very high	98	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	17%	0.17	C	C	.	.	I	π-helix	trans	-59.7	-50.9	173.9	-74.7	168.4	0	0	0	111.3	M60 F385 L403 L430 K436 A438 R439 F444 F463 M467 L471	M60-L434 HydrophobicContact CE-CB 3.55Å; M60-L434 HydrophobicContact CE-CD1 3.97Å; M60-L434 HydrophobicContact CE-CG 4.42Å; F385-L434 HydrophobicContact CE1-CD2 4.04Å; F385-L434 HydrophobicContact CE1-CG 4.44Å; L403-L434 HydrophobicContact CD2-CD2 4.35Å; L430-L434 WeakPolarHBondContact O-CB 3.48Å; L430-L434 WeakPolarHBondContact O-CG 3.46Å; L430-L434 PolarHBondContact O-N 3Å; L434-K436 VanDerWaalsContact C-N 3.32Å; L434-K436 PolarHBondContact O-N 2.72Å; L434-A438 HydrophobicContact CD2-CB 4.28Å; L434-A438 CarbonylContact O-C 3.45Å; L434-A438 PolarHBondContact O-N 3.11Å; L434-R439 PolarHBondContact O-N 2.78Å; L434-F444 HydrophobicContact CB-CD1 4.49Å; L434-F444 HydrophobicContact CB-CE1 4.15Å; L434-F463 HydrophobicContact CD1-CE2 4.43Å; L434-F463 HydrophobicContact CD2-CE2 3.85Å; L434-F463 HydrophobicContact CD2-CZ 4.13Å; L434-M467 HydrophobicContact CD1-CG 4.17Å; L434-M467 HydrophobicContact CD1-SD 3.87Å; L434-L471 HydrophobicContact CD1-CD1 3.96Å
435	N	98.5	Very high	98	Very high	39 Å²	39	34.2 Å²	34.2	21%	0.209	17%	0.169	C	C	.	.	I	π-helix	trans	-64.4	-34	178.2	-82.3	-68.8	0	0	0	113.4	Q56 M60 I431 E432 R439	Q56-N435 PolarHBondContact NE2-ND2 3.02Å; Q56-N435 VanDerWaalsContact NE2-ND2 3.16Å; M60-N435 WeakPolarHBondContact CE-ND2 3.43Å; M60-N435 PolarHBondContact SD-ND2 2.94Å; I431-N435 WeakPolarHBondContact O-CB 3.35Å; I431-N435 PolarHBondContact O-N 3.31Å; I431-N435 VanDerWaalsContact O-N 3.12Å; I431-N435 PolarHBondContact O-ND2 3.39Å; E432-N435 PolarHBondContact O-N 2.62Å; N435-R439 WeakPolarHBondContact O-CB 3.4Å; N435-R439 WeakPolarHBondContact OD1-CD 3.13Å; N435-R439 PolarHBondContact OD1-NH1 2.98Å
436	K	97.8	Very high	98	Very high	141 Å²	141	31.8 Å²	31.8	61%	0.613	16%	0.158	S	C	*	.	I	π-helix	trans	-83.7	-32.9	-174.1	-176.9	-177.2	175.9	-162.7	0	113.8	E432 N433 L434	E432-K436 WeakPolarHBondContact O-CB 3.32Å; E432-K436 PolarHBondContact O-N 3.44Å; N433-K436 PolarHBondContact O-N 2.75Å; L434-K436 VanDerWaalsContact C-N 3.32Å; L434-K436 PolarHBondContact O-N 2.72Å
437	Y	97.4	Very high	97.9	Very high	66 Å²	66	32 Å²	32	26%	0.259	16%	0.159	S	C	.	.	I	π-helix	trans	-121.9	-31.9	-169.8	-58.4	-63.6	0	0	0	114.5	N384 F385 N433 H455	N384-Y437 HydrophobicContact CB-CD2 3.86Å; N384-Y437 HydrophobicContact CB-CE2 3.5Å; N384-Y437 VanDerWaalsContact CG-CE2 3.47Å; N384-Y437 WeakPolarHBondContact OD1-CE2 3.48Å; N384-Y437 PolarHBondContact OD1-OH 2.85Å; F385-Y437 HydrophobicContact CE2-CD2 4.27Å; F385-Y437 HydrophobicContact CE2-CG 4.34Å; N433-Y437 HydrophobicContact CB-CD2 4.07Å; N433-Y437 HydrophobicContact CB-CE2 4.41Å; N433-Y437 WeakPolarHBondContact O-CB 3.36Å; N433-Y437 WeakPolarHBondContact O-CD2 3.4Å; N433-Y437 PolarHBondContact O-N 3.08Å; Y437-H455 PolarHBondContact O-NE2 3.21Å
438	A	98	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-101.3	-26.4	-177.4	0	0	0	0	0	113.6	F385 L403 L434 V440 F444 A445 M447	F385-A438 HydrophobicContact CZ-CB 4.06Å; L403-A438 HydrophobicContact CD2-CB 3.73Å; L434-A438 HydrophobicContact CD2-CB 4.28Å; L434-A438 CarbonylContact O-C 3.45Å; L434-A438 PolarHBondContact O-N 3.11Å; A438-V440 PolarHBondContact O-N 3.02Å; A438-F444 HydrophobicContact CB-CD1 4.16Å; A438-F444 CarbonylContact O-C 3.54Å; A438-F444 WeakPolarHBondContact O-CA 3.3Å; A438-A445 PolarHBondContact O-N 3.14Å; A438-M447 HydrophobicContact CB-SD 4.31Å
439	R	98.5	Very high	97	Very high	67 Å²	67	37.4 Å²	37.4	25%	0.253	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.9	-179	-165.4	171.3	-179.4	169.2	-2.1	112	E59 H63 L434 N435 F444	E59-R439 IonicContact OE1-CZ 3.99Å; E59-R439 IonicContact OE1-NH1 2.66Å; E59-R439 PolarHBondContact OE1-NH1 3.02Å; E59-R439 IonicContact OE1-NH2 2.62Å; E59-R439 PolarHBondContact OE1-NH2 3.37Å; E59-R439 IonicContact OE2-CZ 3.6Å; E59-R439 IonicContact OE2-NH1 3.43Å; E59-R439 PolarHBondContact OE2-NH1 2.9Å; E59-R439 IonicContact OE2-NH2 3.34Å; H63-R439 PolarHBondContact ND1-NH2 2.77Å; L434-R439 PolarHBondContact O-N 2.78Å; N435-R439 WeakPolarHBondContact O-CB 3.4Å; N435-R439 WeakPolarHBondContact OD1-CD 3.13Å; N435-R439 PolarHBondContact OD1-NH1 2.98Å; R439-F444 HydrophobicContact CB-CD1 3.83Å; R439-F444 HydrophobicContact CB-CE1 3.53Å; R439-F444 HydrophobicContact CB-CZ 4.04Å; R439-F444 HydrophobicContact CG-CD1 4.31Å; R439-F444 HydrophobicContact CG-CE1 3.87Å; R439-F444 HydrophobicContact CG-CE2 4.27Å; R439-F444 HydrophobicContact CG-CZ 3.83Å
440	V	98.4	Very high	96.6	Very high	17 Å²	17	36.1 Å²	36.1	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	169.7	179.5	-63.9	0	0	0	0	109.3	H63 P80 L81 A438 C442 G443 A445	H63-V440 PolarHBondContact CE1-O 2.9Å; H63-V440 VanDerWaalsContact CE1-O 3.31Å; H63-V440 PolarHBondContact NE2-O 3.36Å; P80-V440 HydrophobicContact CB-CG2 3.7Å; P80-V440 HydrophobicContact CG-CG2 4.18Å; P80-V440 WeakPolarHBondContact O-CG2 3.35Å; L81-V440 HydrophobicContact CD2-CB 4.2Å; L81-V440 HydrophobicContact CD2-CG1 3.77Å; L81-V440 HydrophobicContact CD2-CG2 4.23Å; A438-V440 PolarHBondContact O-N 3.02Å; V440-C442 VanDerWaalsContact C-N 3.26Å; V440-C442 PolarHBondContact O-N 3.3Å; V440-G443 WeakPolarHBondContact CG2-O 3.46Å; V440-G443 PolarHBondContact N-O 3.43Å; V440-G443 PolarHBondContact O-N 3.12Å; V440-A445 HydrophobicContact CG1-CB 3.93Å; V440-A445 HydrophobicContact CG2-CB 4Å
441	P	98.1	Very high	96	Very high	111 Å²	111	42.4 Å²	42.4	72%	0.721	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-39	-172.7	-29	37.3	0	0	0	114.1	H63	H63-P441 PolarHBondContact CE1-O 3.1Å
442	C	97.5	Very high	95.5	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.074	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	38.7	-175.1	-58.1	0	0	0	0	113.2	N67 L78 P80 C83 V440	N67-C442 WeakPolarHBondContact OD1-CA 3.33Å; L78-C442 VanDerWaalsContact CD2-O 3.25Å; L78-C442 WeakPolarHBondContact CD2-O 3.28Å; P80-C442 WeakPolarHBondContact CA-O 3.49Å; P80-C442 WeakPolarHBondContact CB-O 3.4Å; P80-C442 WeakPolarHBondContact O-CB 3.43Å; C83-C442 HydrophobicContact CB-CB 3.74Å; C83-C442 WeakPolarHBondContact CB-SG 3.05Å; C83-C442 WeakPolarHBondContact SG-CB 3.05Å; C83-C442 CovalentContact SG-SG 2.04Å; C83-C442 PolarHBondContact SG-SG 2.69Å; V440-C442 VanDerWaalsContact C-N 3.26Å; V440-C442 PolarHBondContact O-N 3.3Å
443	G	98.1	Very high	95	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.8	-142.2	176.7	0	0	0	0	0	113.9	H63 V440	H63-G443 PolarHBondContact NE2-N 2.63Å; H63-G443 PolarHBondContact NE2-O 3.04Å; V440-G443 WeakPolarHBondContact CG2-O 3.46Å; V440-G443 PolarHBondContact N-O 3.43Å; V440-G443 PolarHBondContact O-N 3.12Å
444	F	98.7	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.5	173.4	-71	-104.1	0	0	0	109.3	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 3.77Å; M60-F444 HydrophobicContact CE-CZ 3.73Å; M60-F444 HydrophobicContact CG-CZ 3.95Å; H63-F444 AromaticContact CD2-CE2 3.66Å; A64-F444 HydrophobicContact CB-CD2 3.93Å; A64-F444 HydrophobicContact CB-CE2 4.22Å; P80-F444 WeakPolarHBondContact CG-O 3.31Å; L403-F444 HydrophobicContact CD1-CB 3.87Å; L434-F444 HydrophobicContact CB-CD1 4.49Å; L434-F444 HydrophobicContact CB-CE1 4.15Å; A438-F444 HydrophobicContact CB-CD1 4.16Å; A438-F444 CarbonylContact O-C 3.54Å; A438-F444 WeakPolarHBondContact O-CA 3.3Å; R439-F444 HydrophobicContact CB-CD1 3.83Å; R439-F444 HydrophobicContact CB-CE1 3.53Å; R439-F444 HydrophobicContact CB-CZ 4.04Å; R439-F444 HydrophobicContact CG-CD1 4.31Å; R439-F444 HydrophobicContact CG-CE1 3.87Å; R439-F444 HydrophobicContact CG-CE2 4.27Å; R439-F444 HydrophobicContact CG-CZ 3.83Å; F444-M459 HydrophobicContact CB-SD 4.35Å; F444-M459 WeakPolarHBondContact O-CB 3.33Å; F444-M459 VanDerWaalsContact O-CG 3.25Å; F444-M459 WeakPolarHBondContact O-CG 3.31Å; F444-F463 HydrophobicContact CB-CD1 4.3Å; F444-F463 HydrophobicContact CB-CE1 3.51Å; F444-F463 HydrophobicContact CB-CZ 3.85Å; F444-F463 HydrophobicContact CD1-CE1 4.28Å; F444-F463 AromaticContact CD1-CZ 3.99Å; F444-F463 HydrophobicContact CD1-CZ 3.99Å; F444-F463 AromaticContact CD2-CE1 3.63Å; F444-F463 HydrophobicContact CD2-CE1 3.63Å; F444-F463 HydrophobicContact CD2-CZ 4.12Å; F444-F463 HydrophobicContact CE2-CE1 4.42Å; F444-F463 AromaticContact CG-CE1 3.56Å; F444-F463 HydrophobicContact CG-CE1 3.56Å; F444-F463 AromaticContact CG-CZ 3.73Å; F444-F463 HydrophobicContact CG-CZ 3.73Å; F444-F468 HydrophobicContact CD2-CZ 4.34Å; F444-F468 HydrophobicContact CE2-CZ 4.01Å; F444-F468 HydrophobicContact CZ-CZ 4.42Å
445	A	98	Very high	94.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-98.3	133	-177.7	0	0	0	0	0	111.3	P80 L81 A438 V440 H455	P80-A445 HydrophobicContact CG-CB 3.87Å; L81-A445 HydrophobicContact CD2-CB 3.75Å; L81-A445 HydrophobicContact CG-CB 4.17Å; A438-A445 PolarHBondContact O-N 3.14Å; V440-A445 HydrophobicContact CG1-CB 3.93Å; V440-A445 HydrophobicContact CG2-CB 4Å; A445-H455 HydrophobicContact CB-CB 3.98Å
446	A	95.9	Very high	94.1	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-50.8	143.4	169	0	0	0	0	0	111.9	P402 H455 E456 R458	P402-A446 HydrophobicContact CB-CB 4.49Å; A446-H455 CarbonylContact O-C 3.56Å; A446-H455 WeakPolarHBondContact O-CA 3.37Å; A446-E456 HydrophobicContact CB-CB 4.28Å; A446-E456 PolarHBondContact O-N 3.47Å; A446-R458 HydrophobicContact CB-CB 4.12Å; A446-R458 HydrophobicContact CB-CG 4.24Å; A446-R458 PolarHBondContact N-O 3.35Å
447	M	94.2	Very high	94	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124	174.5	-52.7	-53.6	-60.5	0	0	109.4	F385 Q400 H401 A438 V450	F385-M447 HydrophobicContact CD2-CG 3.76Å; F385-M447 HydrophobicContact CE2-CG 3.66Å; F385-M447 HydrophobicContact CE2-SD 3.94Å; F385-M447 HydrophobicContact CZ-CG 4.41Å; Q400-M447 CarbonylContact C-O 3.56Å; Q400-M447 WeakPolarHBondContact CA-O 3.35Å; H401-M447 HydrophobicContact CB-CB 4.14Å; H401-M447 HydrophobicContact CB-CG 4.5Å; H401-M447 PolarHBondContact N-O 3.08Å; H401-M447 PolarHBondContact O-N 3.39Å; A438-M447 HydrophobicContact CB-SD 4.31Å; M447-V450 HydrophobicContact CB-CG1 3.96Å; M447-V450 HydrophobicContact CG-CG1 4.41Å
448	K	88.8	Confident	93.9	Very high	120 Å²	120	42 Å²	42	52%	0.522	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-37.8	174.6	-177	172.4	-178	171.5	0	112.2	S454 E456	K448-S454 WeakPolarHBondContact CB-O 3.48Å; K448-S454 PolarHBondContact N-O 2.89Å; K448-E456 HydrophobicContact CB-CB 4.24Å
449	D	88.7	Confident	93.9	Very high	27 Å²	27	42.1 Å²	42.1	14%	0.144	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	102.3	174.1	-175.9	-29.5	0	0	0	110.6	A399 R451 T452 G453 S454	A399-D449 HydrophobicContact CB-CB 3.99Å; A399-D449 VanDerWaalsContact CB-CG 3.46Å; A399-D449 WeakPolarHBondContact CB-OD1 3.37Å; A399-D449 CarbonylContact O-C 3.57Å; A399-D449 VanDerWaalsContact O-CA 3.25Å; A399-D449 WeakPolarHBondContact O-CA 3.3Å; D449-R451 PolarHBondContact O-N 3.29Å; D449-R451 VanDerWaalsContact O-N 3.08Å; D449-R451 WeakPolarHBondContact OD1-CA 3.47Å; D449-R451 WeakPolarHBondContact OD1-CB 3.41Å; D449-R451 WeakPolarHBondContact OD1-CG 3.45Å; D449-R451 IonicContact OD1-CZ 2.94Å; D449-R451 PolarHBondContact OD1-N 3.16Å; D449-R451 IonicContact OD1-NE 3.7Å; D449-R451 PolarHBondContact OD1-NE 2.9Å; D449-R451 IonicContact OD1-NH2 2.71Å; D449-R451 IonicContact OD2-CZ 3.19Å; D449-R451 IonicContact OD2-NE 3.62Å; D449-R451 PolarHBondContact OD2-NE 2.63Å; D449-R451 IonicContact OD2-NH2 2.69Å; D449-R451 PolarHBondContact OD2-NH2 2.92Å; D449-T452 HydrophobicContact CB-CG2 4.27Å; D449-T452 WeakPolarHBondContact CB-OG1 3.42Å; D449-T452 PolarHBondContact O-N 3.08Å; D449-T452 PolarHBondContact O-OG1 3Å; D449-G453 PolarHBondContact O-N 3.1Å; D449-S454 PolarHBondContact N-O 2.82Å
450	V	90.7	Very high	93.8	Very high	8 Å²	8	39 Å²	39	5%	0.048	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.5	-179.3	-62.9	0	0	0	0	114.1	H383 F385 P387 V396 A399 H401 M447 T452	H383-V450 HydrophobicContact CB-CG2 4.32Å; F385-V450 HydrophobicContact CB-CG1 3.98Å; F385-V450 HydrophobicContact CD2-CG1 4.29Å; P387-V450 HydrophobicContact CB-CG2 4.13Å; P387-V450 HydrophobicContact CG-CG2 4.16Å; V396-V450 HydrophobicContact CG2-CG2 4.3Å; A399-V450 WeakPolarHBondContact O-CG1 3.39Å; A399-V450 PolarHBondContact O-N 3.14Å; H401-V450 HydrophobicContact CB-CG1 3.76Å; M447-V450 HydrophobicContact CB-CG1 3.96Å; M447-V450 HydrophobicContact CG-CG1 4.41Å; V450-T452 VanDerWaalsContact C-N 3.35Å
451	R	85.3	Confident	93.8	Very high	151 Å²	151	38.2 Å²	38.2	57%	0.57	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-25.6	177.2	-48.9	167.7	-72.3	-156.6	4.7	112	V396 D449	V396-R451 HydrophobicContact CB-CG 4.29Å; V396-R451 HydrophobicContact CG1-CG 4.39Å; V396-R451 HydrophobicContact CG2-CG 3.8Å; D449-R451 PolarHBondContact O-N 3.29Å; D449-R451 VanDerWaalsContact O-N 3.08Å; D449-R451 WeakPolarHBondContact OD1-CA 3.47Å; D449-R451 WeakPolarHBondContact OD1-CB 3.41Å; D449-R451 WeakPolarHBondContact OD1-CG 3.45Å; D449-R451 IonicContact OD1-CZ 2.94Å; D449-R451 PolarHBondContact OD1-N 3.16Å; D449-R451 IonicContact OD1-NE 3.7Å; D449-R451 PolarHBondContact OD1-NE 2.9Å; D449-R451 IonicContact OD1-NH2 2.71Å; D449-R451 IonicContact OD2-CZ 3.19Å; D449-R451 IonicContact OD2-NE 3.62Å; D449-R451 PolarHBondContact OD2-NE 2.63Å; D449-R451 IonicContact OD2-NH2 2.69Å; D449-R451 PolarHBondContact OD2-NH2 2.92Å
452	T	88.8	Confident	93.8	Very high	92 Å²	92	33.3 Å²	33.3	56%	0.564	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-21.1	-177.6	66.3	0	0	0	0	113.2	D449 V450 S454	D449-T452 HydrophobicContact CB-CG2 4.27Å; D449-T452 WeakPolarHBondContact CB-OG1 3.42Å; D449-T452 PolarHBondContact O-N 3.08Å; D449-T452 PolarHBondContact O-OG1 3Å; V450-T452 VanDerWaalsContact C-N 3.35Å; T452-S454 VanDerWaalsContact C-N 3.27Å; T452-S454 WeakPolarHBondContact OG1-CB 3.23Å; T452-S454 PolarHBondContact OG1-N 2.87Å; T452-S454 VanDerWaalsContact OG1-N 3.14Å; T452-S454 PolarHBondContact OG1-OG 2.97Å
453	G	87.8	Confident	93.8	Very high	36 Å²	36	32.8 Å²	32.8	37%	0.371	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	17.1	-169.7	0	0	0	0	0	113.9	D449	D449-G453 PolarHBondContact O-N 3.1Å
454	S	90.1	Very high	93.8	Very high	48 Å²	48	32.8 Å²	32.8	34%	0.336	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	144	177.7	60	0	0	0	0	112.3	K448 D449 T452	K448-S454 WeakPolarHBondContact CB-O 3.48Å; K448-S454 PolarHBondContact N-O 2.89Å; D449-S454 PolarHBondContact N-O 2.82Å; T452-S454 VanDerWaalsContact C-N 3.27Å; T452-S454 WeakPolarHBondContact OG1-CB 3.23Å; T452-S454 PolarHBondContact OG1-N 2.87Å; T452-S454 VanDerWaalsContact OG1-N 3.14Å; T452-S454 PolarHBondContact OG1-OG 2.97Å
455	H	94.6	Very high	93.8	Very high	62 Å²	62	32.8 Å²	32.8	29%	0.287	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	159.3	-176.7	-59.4	108.8	0	0	0	114	L81 Y437 A445 A446	L81-H455 HydrophobicContact CD1-CB 3.78Å; L81-H455 HydrophobicContact CD2-CB 4.15Å; Y437-H455 PolarHBondContact O-NE2 3.21Å; A445-H455 HydrophobicContact CB-CB 3.98Å; A446-H455 CarbonylContact O-C 3.56Å; A446-H455 WeakPolarHBondContact O-CA 3.37Å
456	E	90.9	Very high	93.8	Very high	60 Å²	60	33.4 Å²	33.4	28%	0.28	17%	0.171	S	C	.	.			trans	-110.7	146.1	160	-172.5	169.9	136.7	0	0	109	A446 K448 R458	A446-E456 HydrophobicContact CB-CB 4.28Å; A446-E456 PolarHBondContact O-N 3.47Å; K448-E456 HydrophobicContact CB-CB 4.24Å; E456-R458 HydrophobicContact CG-CB 4.16Å; E456-R458 PolarHBondContact O-N 3.37Å
457	D	95.7	Very high	94	Very high	35 Å²	35	33.7 Å²	33.7	19%	0.187	17%	0.172	C	C	.	.	S	Bend	trans	-82.1	66	-176.5	-163.2	11.2	0	0	0	111.3	M79 P80 L81 T82	M79-D457 WeakPolarHBondContact CA-OD1 3.44Å; M79-D457 WeakPolarHBondContact CB-OD1 3.33Å; M79-D457 HydrophobicContact CE-CB 3.99Å; M79-D457 WeakPolarHBondContact CE-O 3.48Å; M79-D457 WeakPolarHBondContact CE-OD2 3.36Å; P80-D457 WeakPolarHBondContact CD-OD1 3.48Å; P80-D457 VanDerWaalsContact N-OD1 3.15Å; L81-D457 WeakPolarHBondContact CA-OD1 3.19Å; L81-D457 HydrophobicContact CB-CB 4.2Å; L81-D457 VanDerWaalsContact CB-OD1 3.28Å; L81-D457 WeakPolarHBondContact CB-OD1 3.47Å; L81-D457 HydrophobicContact CD1-CB 3.94Å; L81-D457 HydrophobicContact CG-CB 4.21Å; L81-D457 PolarHBondContact N-OD1 3.17Å; T82-D457 WeakPolarHBondContact CB-OD2 3.33Å; T82-D457 WeakPolarHBondContact CG2-OD2 3.32Å; T82-D457 PolarHBondContact N-OD1 3.42Å; T82-D457 PolarHBondContact N-OD2 2.84Å; T82-D457 PolarHBondContact OG1-OD2 3.01Å
458	R	94.4	Very high	94.2	Very high	32 Å²	32	33.5 Å²	33.5	12%	0.121	17%	0.171	C	C	.	.			trans	-149	131.1	-167.4	170	176.4	-176.4	-178.9	-3	110.6	A446 E456 D460	A446-R458 HydrophobicContact CB-CB 4.12Å; A446-R458 HydrophobicContact CB-CG 4.24Å; A446-R458 PolarHBondContact N-O 3.35Å; E456-R458 HydrophobicContact CG-CB 4.16Å; E456-R458 PolarHBondContact O-N 3.37Å; R458-D460 WeakPolarHBondContact CD-OD2 3.35Å; R458-D460 WeakPolarHBondContact CG-OD2 3.31Å; R458-D460 IonicContact CZ-OD1 2.67Å; R458-D460 VanDerWaalsContact CZ-OD1 3.29Å; R458-D460 IonicContact CZ-OD2 2.68Å; R458-D460 VanDerWaalsContact NE-CG 3.3Å; R458-D460 IonicContact NE-OD1 3.36Å; R458-D460 PolarHBondContact NE-OD1 3.02Å; R458-D460 IonicContact NE-OD2 3.56Å; R458-D460 PolarHBondContact NE-OD2 3.39Å; R458-D460 IonicContact NH2-OD1 3.32Å; R458-D460 PolarHBondContact NH2-OD1 2.84Å; R458-D460 IonicContact NH2-OD2 3.23Å
459	M	97.9	Very high	94.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-135.3	102.4	164.4	-165.5	-179.4	87.3	0	0	108.4	A64 L78 P80 L403 F444 F463 L464	A64-M459 HydrophobicContact CB-CE 4.17Å; A64-M459 HydrophobicContact CB-SD 4.11Å; L78-M459 HydrophobicContact CB-CB 4.39Å; L78-M459 HydrophobicContact CB-CE 4.21Å; L78-M459 HydrophobicContact CD2-CE 3.68Å; L78-M459 HydrophobicContact CD2-SD 4.13Å; L78-M459 PolarHBondContact O-N 3.19Å; P80-M459 HydrophobicContact CG-CB 4.19Å; L403-M459 HydrophobicContact CD1-CG 4.43Å; F444-M459 HydrophobicContact CB-SD 4.35Å; F444-M459 WeakPolarHBondContact O-CB 3.33Å; F444-M459 VanDerWaalsContact O-CG 3.25Å; F444-M459 WeakPolarHBondContact O-CG 3.31Å; M459-F463 HydrophobicContact CG-CD1 4Å; M459-F463 HydrophobicContact SD-CD1 4.09Å; M459-L464 HydrophobicContact CE-CD1 4.37Å; M459-L464 HydrophobicContact CE-CD2 4.13Å; M459-L464 HydrophobicContact CE-CG 4.29Å
460	D	96.9	Very high	95.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	14%	0.139	C	C	.	.			trans	-67.3	158.6	179.6	-60.7	-109.7	0	0	0	112.5	R458 F462 F463	R458-D460 WeakPolarHBondContact CD-OD2 3.35Å; R458-D460 WeakPolarHBondContact CG-OD2 3.31Å; R458-D460 IonicContact CZ-OD1 2.67Å; R458-D460 VanDerWaalsContact CZ-OD1 3.29Å; R458-D460 IonicContact CZ-OD2 2.68Å; R458-D460 VanDerWaalsContact NE-CG 3.3Å; R458-D460 IonicContact NE-OD1 3.36Å; R458-D460 PolarHBondContact NE-OD1 3.02Å; R458-D460 IonicContact NE-OD2 3.56Å; R458-D460 PolarHBondContact NE-OD2 3.39Å; R458-D460 IonicContact NH2-OD1 3.32Å; R458-D460 PolarHBondContact NH2-OD1 2.84Å; R458-D460 IonicContact NH2-OD2 3.23Å; D460-F462 HydrophobicContact CB-CD1 3.83Å; D460-F462 HydrophobicContact CB-CD2 4.22Å; D460-F462 HydrophobicContact CB-CE1 3.4Å; D460-F462 HydrophobicContact CB-CE2 3.84Å; D460-F462 HydrophobicContact CB-CG 4.2Å; D460-F462 HydrophobicContact CB-CZ 3.39Å; D460-F463 WeakPolarHBondContact O-CB 3.34Å; D460-F463 PolarHBondContact O-N 2.88Å
461	S	98.1	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-39	-176.2	68.1	0	0	0	0	113.6	T107 D110 R151 F463 L464 A465	T107-S461 WeakPolarHBondContact OG1-CA 3.22Å; T107-S461 WeakPolarHBondContact OG1-CB 3.44Å; D110-S461 WeakPolarHBondContact OD2-CB 3.47Å; D110-S461 PolarHBondContact OD2-OG 3.3Å; R151-S461 PolarHBondContact NH1-OG 3.19Å; S461-F463 PolarHBondContact O-N 2.97Å; S461-L464 PolarHBondContact O-N 3.45Å; S461-A465 PolarHBondContact O-N 2.97Å; S461-A465 VanDerWaalsContact O-N 3.15Å
462	F	98.1	Very high	96.1	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.035	11%	0.113	C	C	.	.	H	α-helix	trans	-56.4	-24.4	174.7	55.7	-112.3	0	0	0	113.6	D110 P402 P405 D460 L464 A465 E466 M467 E493	D110-F462 PolarHBondContact OD2-N 3.2Å; P402-F462 WeakPolarHBondContact O-CE2 3.45Å; P402-F462 WeakPolarHBondContact O-CZ 3.37Å; P405-F462 HydrophobicContact CG-CD2 4.16Å; D460-F462 HydrophobicContact CB-CD1 3.83Å; D460-F462 HydrophobicContact CB-CD2 4.22Å; D460-F462 HydrophobicContact CB-CE1 3.4Å; D460-F462 HydrophobicContact CB-CE2 3.84Å; D460-F462 HydrophobicContact CB-CG 4.2Å; D460-F462 HydrophobicContact CB-CZ 3.39Å; F462-L464 PolarHBondContact O-N 3.24Å; F462-A465 PolarHBondContact O-N 2.96Å; F462-E466 HydrophobicContact CB-CG 4.17Å; F462-E466 WeakPolarHBondContact CB-OE1 3.49Å; F462-E466 WeakPolarHBondContact O-CA 3.47Å; F462-E466 VanDerWaalsContact O-CB 3.32Å; F462-E466 WeakPolarHBondContact O-CB 3.39Å; F462-E466 PolarHBondContact O-N 3.21Å; F462-M467 PolarHBondContact O-N 3.17Å; F462-E493 WeakPolarHBondContact CB-OE1 3.23Å
463	F	98.6	Very high	96.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-65.1	-26.5	176.1	-172.9	-110.1	0	0	0	111.9	A64 L403 L434 F444 M459 D460 S461 M467 F468	A64-F463 HydrophobicContact CB-CE1 4.5Å; L403-F463 HydrophobicContact CB-CB 4.47Å; L403-F463 HydrophobicContact CB-CD2 3.39Å; L403-F463 HydrophobicContact CB-CE2 3.79Å; L403-F463 HydrophobicContact CB-CG 4.06Å; L403-F463 HydrophobicContact CD1-CB 4.49Å; L403-F463 HydrophobicContact CD1-CD1 4.02Å; L403-F463 HydrophobicContact CD1-CD2 3.8Å; L403-F463 HydrophobicContact CD1-CE1 4.17Å; L403-F463 HydrophobicContact CD1-CE2 3.94Å; L403-F463 HydrophobicContact CD1-CG 3.83Å; L403-F463 HydrophobicContact CD1-CZ 4.13Å; L403-F463 HydrophobicContact CG-CD2 4.19Å; L403-F463 HydrophobicContact CG-CE2 4.33Å; L434-F463 HydrophobicContact CD1-CE2 4.43Å; L434-F463 HydrophobicContact CD2-CE2 3.85Å; L434-F463 HydrophobicContact CD2-CZ 4.13Å; F444-F463 HydrophobicContact CB-CD1 4.3Å; F444-F463 HydrophobicContact CB-CE1 3.51Å; F444-F463 HydrophobicContact CB-CZ 3.85Å; F444-F463 HydrophobicContact CD1-CE1 4.28Å; F444-F463 AromaticContact CD1-CZ 3.99Å; F444-F463 HydrophobicContact CD1-CZ 3.99Å; F444-F463 AromaticContact CD2-CE1 3.63Å; F444-F463 HydrophobicContact CD2-CE1 3.63Å; F444-F463 HydrophobicContact CD2-CZ 4.12Å; F444-F463 HydrophobicContact CE2-CE1 4.42Å; F444-F463 AromaticContact CG-CE1 3.56Å; F444-F463 HydrophobicContact CG-CE1 3.56Å; F444-F463 AromaticContact CG-CZ 3.73Å; F444-F463 HydrophobicContact CG-CZ 3.73Å; M459-F463 HydrophobicContact CG-CD1 4Å; M459-F463 HydrophobicContact SD-CD1 4.09Å; D460-F463 WeakPolarHBondContact O-CB 3.34Å; D460-F463 PolarHBondContact O-N 2.88Å; S461-F463 PolarHBondContact O-N 2.97Å; F463-M467 HydrophobicContact CD2-CB 3.74Å; F463-M467 HydrophobicContact CD2-CG 3.8Å; F463-M467 HydrophobicContact CD2-SD 4.36Å; F463-M467 HydrophobicContact CE2-CB 4.02Å; F463-M467 HydrophobicContact CE2-CG 3.54Å; F463-M467 HydrophobicContact CE2-SD 4.03Å; F463-M467 HydrophobicContact CZ-CG 4.44Å; F463-F468 AromaticContact CD1-CE2 3.82Å; F463-F468 HydrophobicContact CD1-CE2 3.82Å; F463-F468 HydrophobicContact CD1-CZ 4.3Å; F463-F468 HydrophobicContact CE1-CD2 4.46Å; F463-F468 AromaticContact CE1-CE2 3.37Å; F463-F468 HydrophobicContact CE1-CE2 3.37Å; F463-F468 AromaticContact CE1-CZ 3.41Å; F463-F468 HydrophobicContact CE1-CZ 3.41Å; F463-F468 VanDerWaalsContact CE1-CZ 3.41Å; F463-F468 HydrophobicContact CZ-CE1 4.27Å; F463-F468 AromaticContact CZ-CE2 3.89Å; F463-F468 HydrophobicContact CZ-CE2 3.89Å; F463-F468 AromaticContact CZ-CZ 3.54Å; F463-F468 HydrophobicContact CZ-CZ 3.54Å; F463-F468 VanDerWaalsContact O-CD2 3.22Å; F463-F468 WeakPolarHBondContact O-CD2 3.36Å
464	L	98.5	Very high	96.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-90.7	-37.9	169.9	-56.5	-163.9	0	0	0	112.7	F61 A64 Y65 T107 T114 M459 S461 F462 F468	F61-L464 HydrophobicContact CE2-CB 4.26Å; A64-L464 HydrophobicContact CB-CD2 3.57Å; Y65-L464 HydrophobicContact CD2-CD1 3.88Å; Y65-L464 HydrophobicContact CG-CD1 4.44Å; T107-L464 HydrophobicContact CG2-CD1 3.48Å; T107-L464 VanDerWaalsContact CG2-CD1 3.48Å; T107-L464 HydrophobicContact CG2-CG 4.13Å; T114-L464 WeakPolarHBondContact CG2-O 3.29Å; T114-L464 PolarHBondContact OG1-O 3.44Å; M459-L464 HydrophobicContact CE-CD1 4.37Å; M459-L464 HydrophobicContact CE-CD2 4.13Å; M459-L464 HydrophobicContact CE-CG 4.29Å; S461-L464 PolarHBondContact O-N 3.45Å; F462-L464 PolarHBondContact O-N 3.24Å; L464-F468 HydrophobicContact CD2-CD2 3.87Å; L464-F468 HydrophobicContact CD2-CE2 3.77Å
465	A	98.1	Very high	97.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-73	-33.8	-177.3	0	0	0	0	0	113.7	D110 T114 S461 F462 K469	D110-A465 HydrophobicContact CB-CB 4.31Å; D110-A465 VanDerWaalsContact CG-CB 3.49Å; D110-A465 WeakPolarHBondContact O-CB 3.18Å; D110-A465 WeakPolarHBondContact OD1-CB 3.17Å; T114-A465 WeakPolarHBondContact OG1-CA 3.32Å; T114-A465 PolarHBondContact OG1-O 2.86Å; S461-A465 PolarHBondContact O-N 2.97Å; S461-A465 VanDerWaalsContact O-N 3.15Å; F462-A465 PolarHBondContact O-N 2.96Å; A465-K469 WeakPolarHBondContact O-CB 3.22Å; A465-K469 WeakPolarHBondContact O-CD 3.5Å; A465-K469 WeakPolarHBondContact O-CE 3.44Å; A465-K469 PolarHBondContact O-NZ 2.84Å
466	E	98.7	Very high	97.2	Very high	13 Å²	13	9.7 Å²	9.7	6%	0.061	5%	0.048	C	C	.	.	I	π-helix	trans	-115.7	-59.2	-170.3	-58.3	-163.3	-107.8	0	0	113.2	P405 F462 F468 K469 Y470 A494	P405-E466 HydrophobicContact CB-CB 3.58Å; P405-E466 HydrophobicContact CG-CB 3.76Å; P405-E466 VanDerWaalsContact CG-CD 3.44Å; P405-E466 HydrophobicContact CG-CG 4.19Å; P405-E466 WeakPolarHBondContact CG-OE1 3.28Å; F462-E466 HydrophobicContact CB-CG 4.17Å; F462-E466 WeakPolarHBondContact CB-OE1 3.49Å; F462-E466 WeakPolarHBondContact O-CA 3.47Å; F462-E466 VanDerWaalsContact O-CB 3.32Å; F462-E466 WeakPolarHBondContact O-CB 3.39Å; F462-E466 PolarHBondContact O-N 3.21Å; E466-F468 PolarHBondContact O-N 2.92Å; E466-K469 WeakPolarHBondContact O-CA 3.48Å; E466-K469 WeakPolarHBondContact O-CB 3.46Å; E466-K469 PolarHBondContact O-N 2.81Å; E466-Y470 HydrophobicContact CB-CD2 4.17Å; E466-Y470 HydrophobicContact CB-CE2 3.97Å; E466-Y470 HydrophobicContact CG-CE2 4.5Å; E466-Y470 VanDerWaalsContact O-CD2 3.29Å; E466-Y470 WeakPolarHBondContact O-CD2 3.35Å; E466-Y470 PolarHBondContact O-N 2.78Å; E466-A494 HydrophobicContact CB-CB 4.2Å; E466-A494 HydrophobicContact CG-CB 3.74Å
467	M	98.5	Very high	97.2	Very high	8 Å²	8	8.2 Å²	8.2	4%	0.039	4%	0.042	C	C	.	.	I	π-helix	trans	-57.8	-49	-167	176.8	101	-73.3	0	0	111.6	P405 A408 L434 F462 F463 L471	P405-M467 HydrophobicContact CB-CB 4.21Å; P405-M467 HydrophobicContact CB-CE 4.27Å; A408-M467 HydrophobicContact CB-CE 3.21Å; L434-M467 HydrophobicContact CD1-CG 4.17Å; L434-M467 HydrophobicContact CD1-SD 3.87Å; F462-M467 PolarHBondContact O-N 3.17Å; F463-M467 HydrophobicContact CD2-CB 3.74Å; F463-M467 HydrophobicContact CD2-CG 3.8Å; F463-M467 HydrophobicContact CD2-SD 4.36Å; F463-M467 HydrophobicContact CE2-CB 4.02Å; F463-M467 HydrophobicContact CE2-CG 3.54Å; F463-M467 HydrophobicContact CE2-SD 4.03Å; F463-M467 HydrophobicContact CZ-CG 4.44Å; M467-L471 HydrophobicContact CE-CD1 4.29Å; M467-L471 HydrophobicContact CE-CG 4.41Å; M467-L471 HydrophobicContact CG-CD1 4Å; M467-L471 VanDerWaalsContact O-CB 3.3Å; M467-L471 WeakPolarHBondContact O-CB 3.47Å; M467-L471 VanDerWaalsContact O-CG 3.23Å; M467-L471 WeakPolarHBondContact O-CG 3.4Å; M467-L471 PolarHBondContact O-N 3.05Å; M467-L471 HydrophobicContact SD-CD1 4.43Å
468	F	98.4	Very high	96.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-73.4	-28.8	177.8	-66.1	-53.2	0	0	0	113.3	V57 M60 F61 A64 F444 F463 L464 E466 Y472	V57-F468 HydrophobicContact CG1-CB 4.39Å; V57-F468 HydrophobicContact CG1-CD1 4.1Å; M60-F468 HydrophobicContact CB-CD1 4.29Å; M60-F468 HydrophobicContact CB-CE1 3.39Å; M60-F468 HydrophobicContact CB-CZ 3.79Å; M60-F468 HydrophobicContact CE-CE1 4Å; M60-F468 HydrophobicContact CG-CE1 4.46Å; M60-F468 HydrophobicContact SD-CE1 4.39Å; F61-F468 HydrophobicContact CB-CB 4.28Å; F61-F468 HydrophobicContact CB-CD1 4.5Å; F61-F468 HydrophobicContact CB-CD2 4.08Å; F61-F468 HydrophobicContact CB-CG 4.04Å; F61-F468 HydrophobicContact CD2-CB 3.84Å; F61-F468 AromaticContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CD2 3.73Å; F61-F468 HydrophobicContact CD2-CG 4.05Å; F61-F468 HydrophobicContact CG-CD2 4.37Å; A64-F468 HydrophobicContact CB-CE2 3.81Å; A64-F468 HydrophobicContact CB-CZ 4.31Å; F444-F468 HydrophobicContact CD2-CZ 4.34Å; F444-F468 HydrophobicContact CE2-CZ 4.01Å; F444-F468 HydrophobicContact CZ-CZ 4.42Å; F463-F468 AromaticContact CD1-CE2 3.82Å; F463-F468 HydrophobicContact CD1-CE2 3.82Å; F463-F468 HydrophobicContact CD1-CZ 4.3Å; F463-F468 HydrophobicContact CE1-CD2 4.46Å; F463-F468 AromaticContact CE1-CE2 3.37Å; F463-F468 HydrophobicContact CE1-CE2 3.37Å; F463-F468 AromaticContact CE1-CZ 3.41Å; F463-F468 HydrophobicContact CE1-CZ 3.41Å; F463-F468 VanDerWaalsContact CE1-CZ 3.41Å; F463-F468 HydrophobicContact CZ-CE1 4.27Å; F463-F468 AromaticContact CZ-CE2 3.89Å; F463-F468 HydrophobicContact CZ-CE2 3.89Å; F463-F468 AromaticContact CZ-CZ 3.54Å; F463-F468 HydrophobicContact CZ-CZ 3.54Å; F463-F468 VanDerWaalsContact O-CD2 3.22Å; F463-F468 WeakPolarHBondContact O-CD2 3.36Å; L464-F468 HydrophobicContact CD2-CD2 3.87Å; L464-F468 HydrophobicContact CD2-CE2 3.77Å; E466-F468 PolarHBondContact O-N 2.92Å; F468-Y472 WeakPolarHBondContact O-CB 3.38Å; F468-Y472 PolarHBondContact O-N 3.44Å
469	K	98.1	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-54.4	174.9	-171.6	-176.1	-74.3	155.6	0	110.3	D113 T114 V117 A465 E466 Y472 L473 F490 A494	D113-K469 VanDerWaalsContact OD1-CE 3.29Å; D113-K469 WeakPolarHBondContact OD1-CE 3.3Å; D113-K469 IonicContact OD1-NZ 3.05Å; D113-K469 PolarHBondContact OD1-NZ 3.24Å; D113-K469 IonicContact OD2-NZ 2.72Å; T114-K469 HydrophobicContact CG2-CB 4.26Å; T114-K469 WeakPolarHBondContact OG1-CE 3.47Å; V117-K469 HydrophobicContact CG1-CG 4.23Å; V117-K469 HydrophobicContact CG2-CG 4.4Å; A465-K469 WeakPolarHBondContact O-CB 3.22Å; A465-K469 WeakPolarHBondContact O-CD 3.5Å; A465-K469 WeakPolarHBondContact O-CE 3.44Å; A465-K469 PolarHBondContact O-NZ 2.84Å; E466-K469 WeakPolarHBondContact O-CA 3.48Å; E466-K469 WeakPolarHBondContact O-CB 3.46Å; E466-K469 PolarHBondContact O-N 2.81Å; K469-Y472 PolarHBondContact O-N 2.85Å; K469-L473 HydrophobicContact CG-CD1 4.23Å; K469-L473 WeakPolarHBondContact O-CB 3.28Å; K469-L473 VanDerWaalsContact O-CG 3.24Å; K469-L473 WeakPolarHBondContact O-CG 3.39Å; K469-L473 PolarHBondContact O-N 2.85Å; K469-F490 HydrophobicContact CD-CD1 4.46Å; K469-F490 HydrophobicContact CD-CE1 4.05Å; K469-A494 HydrophobicContact CD-CB 3.91Å; K469-A494 WeakPolarHBondContact CD-O 3.42Å; K469-A494 PolarHBondContact NZ-O 2.97Å
470	Y	98.6	Very high	95.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66	-41.6	178	-64.1	-54.5	0	0	0	113.1	E409 Y412 E466 Y472 L473 L474 F490 A494	E409-Y470 HydrophobicContact CB-CD1 4.4Å; E409-Y470 HydrophobicContact CB-CD2 3.85Å; E409-Y470 HydrophobicContact CB-CE1 4.2Å; E409-Y470 HydrophobicContact CB-CE2 3.61Å; E409-Y470 HydrophobicContact CB-CG 4.24Å; E409-Y470 HydrophobicContact CG-CD1 4.46Å; E409-Y470 HydrophobicContact CG-CE1 3.88Å; E409-Y470 HydrophobicContact CG-CE2 3.96Å; Y412-Y470 HydrophobicContact CD1-CD1 4.05Å; Y412-Y470 HydrophobicContact CG-CD1 4.48Å; E466-Y470 HydrophobicContact CB-CD2 4.17Å; E466-Y470 HydrophobicContact CB-CE2 3.97Å; E466-Y470 HydrophobicContact CG-CE2 4.5Å; E466-Y470 VanDerWaalsContact O-CD2 3.29Å; E466-Y470 WeakPolarHBondContact O-CD2 3.35Å; E466-Y470 PolarHBondContact O-N 2.78Å; Y470-Y472 VanDerWaalsContact C-N 3.35Å; Y470-Y472 PolarHBondContact O-N 3.19Å; Y470-L473 PolarHBondContact O-N 2.83Å; Y470-L474 WeakPolarHBondContact O-CB 3.38Å; Y470-L474 PolarHBondContact O-N 3.12Å; Y470-F490 HydrophobicContact CE1-CD1 4.03Å; Y470-F490 HydrophobicContact CE1-CE1 4.12Å; Y470-A494 HydrophobicContact CE1-CB 4.25Å; Y470-A494 HydrophobicContact CE2-CB 3.73Å; Y470-A494 VanDerWaalsContact CZ-CB 3.47Å; Y470-A494 WeakPolarHBondContact OH-CB 3.33Å
471	L	98.5	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.5	-35.7	176.9	-72.6	175	0	0	0	112.4	V57 A408 L430 I431 L434 M467 F475	V57-L471 HydrophobicContact CG1-CB 4.18Å; V57-L471 HydrophobicContact CG2-CB 3.9Å; A408-L471 HydrophobicContact CB-CD2 4.28Å; A408-L471 HydrophobicContact CB-CG 4.42Å; L430-L471 HydrophobicContact CB-CD2 4.31Å; L430-L471 HydrophobicContact CD1-CD2 4.23Å; I431-L471 HydrophobicContact CG1-CD1 4.24Å; I431-L471 HydrophobicContact CG1-CD2 4.45Å; L434-L471 HydrophobicContact CD1-CD1 3.96Å; M467-L471 HydrophobicContact CE-CD1 4.29Å; M467-L471 HydrophobicContact CE-CG 4.41Å; M467-L471 HydrophobicContact CG-CD1 4Å; M467-L471 VanDerWaalsContact O-CB 3.3Å; M467-L471 WeakPolarHBondContact O-CB 3.47Å; M467-L471 VanDerWaalsContact O-CG 3.23Å; M467-L471 WeakPolarHBondContact O-CG 3.4Å; M467-L471 PolarHBondContact O-N 3.05Å; M467-L471 HydrophobicContact SD-CD1 4.43Å; L471-F475 WeakPolarHBondContact O-CD2 3.35Å
472	Y	98.3	Very high	95.2	Very high	16 Å²	16	24.6 Å²	24.6	6%	0.063	12%	0.12	C	C	.	.	H	α-helix	trans	-68.9	-48.1	175.9	179.2	-101.9	0	0	0	111.4	L58 V117 L118 F468 K469 Y470 L474 F475 A476	L58-Y472 HydrophobicContact CD1-CE2 4.02Å; L58-Y472 HydrophobicContact CD2-CD2 4.1Å; L58-Y472 HydrophobicContact CD2-CE2 3.92Å; L58-Y472 HydrophobicContact CG-CD2 4.12Å; L58-Y472 HydrophobicContact CG-CE2 3.93Å; V117-Y472 HydrophobicContact CG1-CD1 4.1Å; V117-Y472 VanDerWaalsContact O-CE1 3.23Å; V117-Y472 WeakPolarHBondContact O-CE1 3.27Å; L118-Y472 HydrophobicContact CD2-CD1 3.65Å; L118-Y472 HydrophobicContact CD2-CD2 3.7Å; L118-Y472 HydrophobicContact CD2-CE1 4.31Å; L118-Y472 HydrophobicContact CD2-CE2 4.37Å; L118-Y472 HydrophobicContact CD2-CG 3.28Å; F468-Y472 WeakPolarHBondContact O-CB 3.38Å; F468-Y472 PolarHBondContact O-N 3.44Å; K469-Y472 PolarHBondContact O-N 2.85Å; Y470-Y472 VanDerWaalsContact C-N 3.35Å; Y470-Y472 PolarHBondContact O-N 3.19Å; Y472-L474 PolarHBondContact O-N 2.87Å; Y472-F475 PolarHBondContact O-N 2.95Å; Y472-A476 HydrophobicContact CD1-CB 4.33Å; Y472-A476 HydrophobicContact CE1-CB 4.02Å; Y472-A476 WeakPolarHBondContact O-CB 3.4Å; Y472-A476 PolarHBondContact O-N 2.96Å
473	L	97.4	Very high	94.8	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-21.6	179.2	-68.6	173.9	0	0	0	113.7	V117 Y412 K469 Y470 I481 I485 F490	V117-L473 HydrophobicContact CG1-CD1 4.35Å; V117-L473 HydrophobicContact CG1-CD2 3.89Å; V117-L473 HydrophobicContact CG1-CG 4.02Å; Y412-L473 HydrophobicContact CD2-CB 3.84Å; Y412-L473 HydrophobicContact CE2-CB 3.53Å; Y412-L473 WeakPolarHBondContact CE2-O 3.43Å; K469-L473 HydrophobicContact CG-CD1 4.23Å; K469-L473 WeakPolarHBondContact O-CB 3.28Å; K469-L473 VanDerWaalsContact O-CG 3.24Å; K469-L473 WeakPolarHBondContact O-CG 3.39Å; K469-L473 PolarHBondContact O-N 2.85Å; Y470-L473 PolarHBondContact O-N 2.83Å; L473-I481 HydrophobicContact CD2-CD1 3.64Å; L473-I481 HydrophobicContact CD2-CG1 4.45Å; L473-I485 HydrophobicContact CD1-CD1 4.49Å; L473-I485 HydrophobicContact CD2-CD1 3.9Å; L473-I485 HydrophobicContact CD2-CG1 3.91Å; L473-F490 HydrophobicContact CD1-CE1 4.04Å; L473-F490 HydrophobicContact CD1-CZ 3.74Å
474	L	97.2	Very high	94.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-72.3	-29.7	172.5	179.6	63.8	0	0	0	113.2	T411 Y415 L424 Y470 Y472	T411-L474 HydrophobicContact CG2-CD1 4.45Å; T411-L474 HydrophobicContact CG2-CD2 3.89Å; Y415-L474 HydrophobicContact CD1-CD1 3.73Å; Y415-L474 HydrophobicContact CG-CD1 3.69Å; L424-L474 HydrophobicContact CD2-CD1 4.03Å; L424-L474 HydrophobicContact CD2-CG 4.18Å; L424-L474 VanDerWaalsContact CD2-O 3.22Å; L424-L474 WeakPolarHBondContact CD2-O 3.18Å; Y470-L474 WeakPolarHBondContact O-CB 3.38Å; Y470-L474 PolarHBondContact O-N 3.12Å; Y472-L474 PolarHBondContact O-N 2.87Å
475	F	96.9	Very high	94.2	Very high	1 Å²	1	29 Å²	29	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-110.3	-21.4	-175	-65.9	-64.7	0	0	0	115.1	M45 L53 L424 I431 L471 Y472	M45-F475 HydrophobicContact CE-CE1 4.18Å; M45-F475 HydrophobicContact SD-CD1 4.15Å; M45-F475 HydrophobicContact SD-CE1 3.93Å; L53-F475 HydrophobicContact CB-CB 4.47Å; L53-F475 HydrophobicContact CB-CD1 3.93Å; L53-F475 HydrophobicContact CB-CD2 4.02Å; L53-F475 HydrophobicContact CB-CE1 4.21Å; L53-F475 HydrophobicContact CB-CE2 4.32Å; L53-F475 HydrophobicContact CB-CG 3.86Å; L53-F475 HydrophobicContact CB-CZ 4.41Å; L53-F475 HydrophobicContact CD1-CD1 3.92Å; L53-F475 HydrophobicContact CD1-CE1 3.51Å; L53-F475 HydrophobicContact CD1-CZ 3.92Å; L424-F475 HydrophobicContact CB-CE1 4Å; L424-F475 HydrophobicContact CD2-CD1 4.01Å; L424-F475 HydrophobicContact CD2-CE1 3.91Å; L424-F475 WeakPolarHBondContact O-CZ 3.39Å; I431-F475 HydrophobicContact CD1-CD2 3.93Å; I431-F475 HydrophobicContact CD1-CE2 3.42Å; I431-F475 VanDerWaalsContact CD1-CE2 3.42Å; I431-F475 HydrophobicContact CD1-CZ 4.23Å; L471-F475 WeakPolarHBondContact O-CD2 3.35Å; Y472-F475 PolarHBondContact O-N 2.95Å
476	A	93.9	Very high	93.9	Very high	15 Å²	15	33.2 Å²	33.2	12%	0.124	16%	0.162	C	C	.	.			trans	-62.7	141.6	173.9	0	0	0	0	0	111.8	Y472 D480 I481	Y472-A476 HydrophobicContact CD1-CB 4.33Å; Y472-A476 HydrophobicContact CE1-CB 4.02Å; Y472-A476 WeakPolarHBondContact O-CB 3.4Å; Y472-A476 PolarHBondContact O-N 2.96Å; A476-D480 HydrophobicContact CB-CB 4.24Å; A476-I481 HydrophobicContact CB-CD1 4.26Å; A476-I481 HydrophobicContact CB-CG1 3.98Å
477	D	89.8	Confident	93.6	Very high	29 Å²	29	37.6 Å²	37.6	16%	0.155	19%	0.186	C	C	.	.			trans	-86.1	165.1	162.8	-64.6	-47	0	0	0	110	R47 K50 E479 D480	R47-D477 WeakPolarHBondContact CG-OD2 3.42Å; R47-D477 IonicContact CZ-OD2 3.84Å; R47-D477 IonicContact NE-OD2 2.93Å; R47-D477 PolarHBondContact NE-OD2 2.89Å; R47-D477 IonicContact NH2-OD2 2.66Å; R47-D477 PolarHBondContact NH2-OD2 3.3Å; K50-D477 IonicContact NZ-OD1 3.26Å; K50-D477 PolarHBondContact NZ-OD1 3.13Å; D477-E479 PolarHBondContact O-N 3.3Å; D477-E479 VanDerWaalsContact O-N 3.09Å; D477-D480 PolarHBondContact N-OD2 3.01Å; D477-D480 PolarHBondContact O-N 3.39Å
478	K	86	Confident	93.5	Very high	142 Å²	142	38.4 Å²	38.4	62%	0.617	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.8	-178.6	-77.5	-161.3	168.2	-116.9	0	113.8	D484	K478-D484 IonicContact NZ-OD1 3.77Å; K478-D484 IonicContact NZ-OD2 3.79Å
479	E	87.1	Confident	93.4	Very high	136 Å²	136	39.1 Å²	39.1	64%	0.636	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-15.4	175.3	-54.4	93.7	-106.8	0	0	114.2	R47 D477	R47-E479 IonicContact CZ-OE2 2.68Å; R47-E479 IonicContact NH1-OE2 3.04Å; R47-E479 PolarHBondContact NH1-OE2 2.88Å; R47-E479 IonicContact NH2-OE2 2.69Å; R47-E479 PolarHBondContact NH2-OE2 3.49Å; D477-E479 PolarHBondContact O-N 3.3Å; D477-E479 VanDerWaalsContact O-N 3.09Å
480	D	87.3	Confident	93.4	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-22.4	-179.4	-58.9	-49.8	0	0	0	112.2	A476 D477	A476-D480 HydrophobicContact CB-CB 4.24Å; D477-D480 PolarHBondContact N-OD2 3.01Å; D477-D480 PolarHBondContact O-N 3.39Å
481	I	90.3	Very high	93.4	Very high	32 Å²	32	39.4 Å²	39.4	16%	0.164	19%	0.193	C	C	.	.	S	Bend	trans	-93.8	126.9	-178.6	-45.7	173.2	0	0	0	109.7	L473 A476 F483 I485	L473-I481 HydrophobicContact CD2-CD1 3.64Å; L473-I481 HydrophobicContact CD2-CG1 4.45Å; A476-I481 HydrophobicContact CB-CD1 4.26Å; A476-I481 HydrophobicContact CB-CG1 3.98Å; I481-F483 VanDerWaalsContact C-N 3.3Å; I481-F483 VanDerWaalsContact CG2-O 3.31Å; I481-F483 WeakPolarHBondContact CG2-O 3.39Å; I481-F483 PolarHBondContact O-N 3.22Å; I481-I485 HydrophobicContact CD1-CG1 4.19Å; I481-I485 HydrophobicContact CG2-CD1 4.21Å; I481-I485 HydrophobicContact CG2-CG1 4.17Å
482	I	90.1	Very high	93.4	Very high	54 Å²	54	40.6 Å²	40.6	28%	0.277	20%	0.201	S	C	.	.	S	Bend	trans	-75.1	-13.2	-171.9	71.1	-177.1	0	0	0	114.5	V116 N119 T121 L166 K169	V116-I482 HydrophobicContact CG1-CD1 4.09Å; N119-I482 HydrophobicContact CB-CG2 4.45Å; N119-I482 WeakPolarHBondContact OD1-CG2 3.4Å; T121-I482 HydrophobicContact CG2-CD1 3.87Å; L166-I482 HydrophobicContact CD2-CD1 3.91Å; K169-I482 PolarHBondContact NZ-O 3.34Å
483	F	90.9	Very high	93.4	Very high	19 Å²	19	40.3 Å²	40.3	8%	0.083	20%	0.2	C	C	.	.	S	Bend	trans	-140.6	158.2	179	65.1	-81.9	0	0	0	110.3	V116 V117 L162 M165 I481 I485 Y488 L496	V116-F483 HydrophobicContact CG1-CE1 4.12Å; V117-F483 HydrophobicContact CG2-CE1 4.4Å; V117-F483 HydrophobicContact CG2-CZ 4.02Å; L162-F483 HydrophobicContact CD1-CZ 4.23Å; L162-F483 HydrophobicContact CD2-CD2 4.46Å; L162-F483 HydrophobicContact CD2-CE1 4.2Å; L162-F483 HydrophobicContact CD2-CE2 3.91Å; L162-F483 HydrophobicContact CD2-CZ 3.76Å; M165-F483 HydrophobicContact CE-CB 4.06Å; M165-F483 HydrophobicContact CE-CD1 3.55Å; M165-F483 HydrophobicContact CE-CE1 4.1Å; M165-F483 HydrophobicContact CE-CG 3.83Å; M165-F483 HydrophobicContact SD-CB 4.04Å; M165-F483 HydrophobicContact SD-CG 4.46Å; I481-F483 VanDerWaalsContact C-N 3.3Å; I481-F483 VanDerWaalsContact CG2-O 3.31Å; I481-F483 WeakPolarHBondContact CG2-O 3.39Å; I481-F483 PolarHBondContact O-N 3.22Å; F483-I485 HydrophobicContact CD2-CD1 4.44Å; F483-I485 HydrophobicContact CE2-CD1 3.72Å; F483-I485 HydrophobicContact CZ-CD1 3.83Å; F483-I485 PolarHBondContact O-N 2.96Å; F483-Y488 AromaticContact CD2-CD2 3.97Å; F483-Y488 HydrophobicContact CD2-CD2 3.97Å; F483-Y488 AromaticContact CD2-CE2 3.53Å; F483-Y488 HydrophobicContact CD2-CE2 3.53Å; F483-Y488 AromaticContact CE2-CD2 3.91Å; F483-Y488 HydrophobicContact CE2-CD2 3.91Å; F483-Y488 AromaticContact CE2-CE2 3.78Å; F483-Y488 HydrophobicContact CE2-CE2 3.78Å; F483-L496 HydrophobicContact CE2-CD1 4.01Å; F483-L496 HydrophobicContact CZ-CD1 3.67Å
484	D	91.4	Very high	93.5	Very high	75 Å²	75	39.8 Å²	39.8	40%	0.401	20%	0.198	S	C	.	.			trans	-76.8	127.1	175.8	-150.9	-27.4	0	0	0	110	K478 E486 D487	K478-D484 IonicContact NZ-OD1 3.77Å; K478-D484 IonicContact NZ-OD2 3.79Å; D484-E486 PolarHBondContact O-N 2.91Å; D484-E486 WeakPolarHBondContact OD1-CG 3.13Å; D484-E486 PolarHBondContact OD1-N 3.18Å; D484-D487 PolarHBondContact O-N 3.25Å
485	I	92.9	Very high	93.5	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-72.5	-24.4	178.8	-62.5	-70.7	0	0	0	110.1	L473 I481 F483 D487 Y488 F490	L473-I485 HydrophobicContact CD1-CD1 4.49Å; L473-I485 HydrophobicContact CD2-CD1 3.9Å; L473-I485 HydrophobicContact CD2-CG1 3.91Å; I481-I485 HydrophobicContact CD1-CG1 4.19Å; I481-I485 HydrophobicContact CG2-CD1 4.21Å; I481-I485 HydrophobicContact CG2-CG1 4.17Å; F483-I485 HydrophobicContact CD2-CD1 4.44Å; F483-I485 HydrophobicContact CE2-CD1 3.72Å; F483-I485 HydrophobicContact CZ-CD1 3.83Å; F483-I485 PolarHBondContact O-N 2.96Å; I485-D487 PolarHBondContact O-N 3.15Å; I485-Y488 PolarHBondContact O-N 3.27Å; I485-F490 HydrophobicContact CG2-CE2 3.6Å; I485-F490 HydrophobicContact CG2-CZ 3.65Å
486	E	90.9	Very high	93.6	Very high	89 Å²	89	39.7 Å²	39.7	42%	0.416	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-69.7	-13.6	178.5	-48.1	-44.7	135.6	0	0	113.8	K416 D484 Y488 L499	K416-E486 VanDerWaalsContact CE-CD 3.49Å; K416-E486 WeakPolarHBondContact CE-OE1 3.37Å; K416-E486 WeakPolarHBondContact CE-OE2 3.38Å; K416-E486 IonicContact NZ-OE1 3.3Å; K416-E486 PolarHBondContact NZ-OE1 3.41Å; K416-E486 IonicContact NZ-OE2 3.67Å; K416-E486 PolarHBondContact NZ-OE2 3.24Å; D484-E486 PolarHBondContact O-N 2.91Å; D484-E486 WeakPolarHBondContact OD1-CG 3.13Å; D484-E486 PolarHBondContact OD1-N 3.18Å; E486-Y488 PolarHBondContact O-N 3.35Å; E486-L499 VanDerWaalsContact O-CD1 3.29Å; E486-L499 WeakPolarHBondContact O-CD1 3.29Å
487	D	93.5	Very high	93.8	Very high	105 Å²	105	39 Å²	39	56%	0.561	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-78.1	-1	173.7	-74.7	-33.4	0	0	0	112.9	D484 I485 L499	D484-D487 PolarHBondContact O-N 3.25Å; I485-D487 PolarHBondContact O-N 3.15Å; D487-L499 PolarHBondContact O-N 2.86Å
488	Y	96.1	Very high	94.1	Very high	26 Å²	26	37.6 Å²	37.6	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.4	-173.2	-62.7	-102.7	0	0	0	112.1	L162 F483 I485 E486 L496 L497 P498	L162-Y488 HydrophobicContact CD2-CE1 3.82Å; F483-Y488 AromaticContact CD2-CD2 3.97Å; F483-Y488 HydrophobicContact CD2-CD2 3.97Å; F483-Y488 AromaticContact CD2-CE2 3.53Å; F483-Y488 HydrophobicContact CD2-CE2 3.53Å; F483-Y488 AromaticContact CE2-CD2 3.91Å; F483-Y488 HydrophobicContact CE2-CD2 3.91Å; F483-Y488 AromaticContact CE2-CE2 3.78Å; F483-Y488 HydrophobicContact CE2-CE2 3.78Å; I485-Y488 PolarHBondContact O-N 3.27Å; E486-Y488 PolarHBondContact O-N 3.35Å; Y488-L496 HydrophobicContact CD1-CB 3.87Å; Y488-L496 HydrophobicContact CG-CB 4.33Å; Y488-L496 HydrophobicContact CG-CD2 4.41Å; Y488-L497 CarbonylContact C-O 3.52Å; Y488-L497 WeakPolarHBondContact CA-O 3.43Å; Y488-P498 HydrophobicContact CD1-CB 3.9Å; Y488-P498 HydrophobicContact CE1-CB 3.75Å; Y488-P498 HydrophobicContact CE1-CG 4.36Å
489	I	96.6	Very high	94.4	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.072	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.4	163	-165.6	60.8	0	0	0	109.5	K302 V305 L306 L497 L499	K302-I489 HydrophobicContact CB-CG1 4.22Å; K302-I489 HydrophobicContact CD-CG1 4.39Å; K302-I489 HydrophobicContact CG-CD1 4.21Å; K302-I489 HydrophobicContact CG-CG1 4.17Å; V305-I489 HydrophobicContact CG1-CD1 4.23Å; L306-I489 HydrophobicContact CB-CG2 4.27Å; L306-I489 HydrophobicContact CD1-CG2 3.98Å; L306-I489 HydrophobicContact CD2-CG2 4.32Å; L306-I489 HydrophobicContact CG-CG2 4.41Å; I489-L497 HydrophobicContact CG2-CB 4.02Å; I489-L497 PolarHBondContact N-O 2.87Å; I489-L497 PolarHBondContact O-N 3.27Å; I489-L499 HydrophobicContact CB-CD2 3.96Å; I489-L499 HydrophobicContact CG2-CD2 4.37Å
490	F	98.1	Very high	94.6	Very high	6 Å²	6	35 Å²	35	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.3	171.5	-67.2	-99.8	0	0	0	109.5	K302 F413 K469 Y470 L473 I485 A494 H495 L496	K302-F490 WeakPolarHBondContact CD-O 3.13Å; K302-F490 VanDerWaalsContact CE-O 3.23Å; K302-F490 WeakPolarHBondContact CE-O 3.5Å; K302-F490 PolarHBondContact NZ-O 3.04Å; F413-F490 HydrophobicContact CZ-CD2 4.29Å; K469-F490 HydrophobicContact CD-CD1 4.46Å; K469-F490 HydrophobicContact CD-CE1 4.05Å; Y470-F490 HydrophobicContact CE1-CD1 4.03Å; Y470-F490 HydrophobicContact CE1-CE1 4.12Å; L473-F490 HydrophobicContact CD1-CE1 4.04Å; L473-F490 HydrophobicContact CD1-CZ 3.74Å; I485-F490 HydrophobicContact CG2-CE2 3.6Å; I485-F490 HydrophobicContact CG2-CZ 3.65Å; F490-A494 HydrophobicContact CD1-CB 4.15Å; F490-A494 WeakPolarHBondContact CD1-O 3.48Å; F490-H495 CarbonylContact C-O 3.36Å; F490-H495 VanDerWaalsContact CA-O 3.27Å; F490-H495 WeakPolarHBondContact CA-O 3.48Å; F490-L496 HydrophobicContact CD1-CD2 3.95Å; F490-L496 HydrophobicContact CD2-CD2 4.3Å; F490-L496 HydrophobicContact CE1-CD2 3.74Å; F490-L496 HydrophobicContact CE2-CD2 4.1Å; F490-L496 HydrophobicContact CG-CD2 4.23Å; F490-L496 HydrophobicContact CZ-CD2 3.81Å
491	T	98.6	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.			trans	-67.7	-171.9	164	65.4	0	0	0	0	111.1	L235 E236 Y299 K302 A494 H495 L497	L235-T491 HydrophobicContact CD1-CG2 4.42Å; E236-T491 VanDerWaalsContact OE1-CG2 3.31Å; E236-T491 WeakPolarHBondContact OE1-CG2 3.17Å; Y299-T491 WeakPolarHBondContact OH-CB 3.48Å; K302-T491 PolarHBondContact NZ-O 2.84Å; T491-A494 PolarHBondContact O-N 2.98Å; T491-H495 HydrophobicContact CG2-CB 4.05Å; T491-H495 PolarHBondContact N-O 3.35Å; T491-H495 WeakPolarHBondContact OG1-CB 3.41Å; T491-H495 PolarHBondContact OG1-N 3Å; T491-L497 HydrophobicContact CG2-CD1 3.62Å; T491-L497 HydrophobicContact CG2-CG 3.94Å
492	T	98.3	Very high	94.3	Very high	25 Å²	25	33.2 Å²	33.2	15%	0.153	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-45.6	173.5	-159	0	0	0	0	110.4	I150 T232 S295 E298 Y299 A494	I150-T492 HydrophobicContact CB-CG2 4Å; I150-T492 HydrophobicContact CD1-CG2 4.05Å; I150-T492 HydrophobicContact CG2-CG2 3.79Å; T232-T492 HydrophobicContact CG2-CG2 3.86Å; S295-T492 WeakPolarHBondContact CB-OG1 3.28Å; E298-T492 VanDerWaalsContact OE1-CA 3.26Å; E298-T492 WeakPolarHBondContact OE1-CA 3.27Å; E298-T492 WeakPolarHBondContact OE1-CB 3.22Å; E298-T492 PolarHBondContact OE1-N 3.05Å; E298-T492 VanDerWaalsContact OE2-CB 3.22Å; E298-T492 WeakPolarHBondContact OE2-CB 3.48Å; E298-T492 PolarHBondContact OE2-OG1 3.47Å; Y299-T492 HydrophobicContact CE1-CG2 4.26Å; Y299-T492 PolarHBondContact OH-N 2.88Å; T492-A494 PolarHBondContact O-N 2.72Å
493	E	98.6	Very high	93	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.047	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	28.1	172.3	-146.3	93	174.5	0	0	113	I150 R151 F462 H495	I150-E493 HydrophobicContact CB-CB 4.4Å; I150-E493 VanDerWaalsContact CD1-OE2 3.23Å; I150-E493 WeakPolarHBondContact CD1-OE2 3.32Å; I150-E493 WeakPolarHBondContact CG1-OE2 3.37Å; R151-E493 WeakPolarHBondContact CD-OE1 3.13Å; R151-E493 VanDerWaalsContact CG-CD 3.5Å; R151-E493 HydrophobicContact CG-CG 4.03Å; R151-E493 VanDerWaalsContact CG-OE1 3.29Å; R151-E493 WeakPolarHBondContact CG-OE1 3.46Å; R151-E493 IonicContact CZ-OE1 2.99Å; R151-E493 VanDerWaalsContact CZ-OE1 3.24Å; R151-E493 IonicContact NE-OE1 3.17Å; R151-E493 PolarHBondContact NE-OE1 3.01Å; R151-E493 IonicContact NH1-OE1 3.57Å; R151-E493 PolarHBondContact NH1-OE1 2.68Å; R151-E493 IonicContact NH2-OE1 3.66Å; F462-E493 WeakPolarHBondContact CB-OE1 3.23Å; E493-H495 PolarHBondContact O-N 3.37Å; E493-H495 VanDerWaalsContact O-N 3.07Å
494	A	98.3	Very high	91.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.			trans	54.8	21.4	179.8	0	0	0	0	0	117	E466 K469 Y470 F490 T491 T492	E466-A494 HydrophobicContact CB-CB 4.2Å; E466-A494 HydrophobicContact CG-CB 3.74Å; K469-A494 HydrophobicContact CD-CB 3.91Å; K469-A494 WeakPolarHBondContact CD-O 3.42Å; K469-A494 PolarHBondContact NZ-O 2.97Å; Y470-A494 HydrophobicContact CE1-CB 4.25Å; Y470-A494 HydrophobicContact CE2-CB 3.73Å; Y470-A494 VanDerWaalsContact CZ-CB 3.47Å; Y470-A494 WeakPolarHBondContact OH-CB 3.33Å; F490-A494 HydrophobicContact CD1-CB 4.15Å; F490-A494 WeakPolarHBondContact CD1-O 3.48Å; T491-A494 PolarHBondContact O-N 2.98Å; T492-A494 PolarHBondContact O-N 2.72Å
495	H	98.6	Very high	88.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.			trans	-77.4	144.7	-179.4	-62.7	-57.7	0	0	0	113.3	D110 D113 I150 R151 G155 F490 T491 E493 L497	D110-H495 PolarHBondContact O-CE1 3.14Å; D110-H495 IonicContact OD1-CE1 2.88Å; D110-H495 PolarHBondContact OD1-CE1 3.46Å; D110-H495 IonicContact OD1-NE2 3.4Å; D110-H495 PolarHBondContact OD1-NE2 3.48Å; D113-H495 IonicContact OD1-ND1 2.92Å; D113-H495 WeakPolarHBondContact OD2-CA 3.46Å; D113-H495 WeakPolarHBondContact OD2-CB 3.3Å; D113-H495 IonicContact OD2-CG 2.68Å; D113-H495 IonicContact OD2-ND1 3.26Å; D113-H495 PolarHBondContact OD2-ND1 3.42Å; I150-H495 PolarHBondContact O-CD2 2.92Å; I150-H495 PolarHBondContact O-NE2 3.18Å; R151-H495 PolarHBondContact O-NE2 3.2Å; G155-H495 VanDerWaalsContact CA-CE1 3.44Å; G155-H495 WeakPolarHBondContact CA-CE1 3.39Å; G155-H495 PolarHBondContact N-CD2 3.2Å; G155-H495 VanDerWaalsContact N-CD2 3.33Å; G155-H495 PolarHBondContact N-NE2 3.4Å; G155-H495 VanDerWaalsContact N-NE2 3.19Å; F490-H495 CarbonylContact C-O 3.36Å; F490-H495 VanDerWaalsContact CA-O 3.27Å; F490-H495 WeakPolarHBondContact CA-O 3.48Å; T491-H495 HydrophobicContact CG2-CB 4.05Å; T491-H495 PolarHBondContact N-O 3.35Å; T491-H495 WeakPolarHBondContact OG1-CB 3.41Å; T491-H495 PolarHBondContact OG1-N 3Å; E493-H495 PolarHBondContact O-N 3.37Å; E493-H495 VanDerWaalsContact O-N 3.07Å; H495-L497 PolarHBondContact O-N 2.82Å
496	L	97.9	Very high	86.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104	-172	-69.4	169.8	0	0	0	112.6	D113 V117 L162 F483 Y488 F490	D113-L496 PolarHBondContact OD2-N 3.3Å; V117-L496 HydrophobicContact CG2-CD1 3.59Å; L162-L496 HydrophobicContact CD1-CD1 4.02Å; F483-L496 HydrophobicContact CE2-CD1 4.01Å; F483-L496 HydrophobicContact CZ-CD1 3.67Å; Y488-L496 HydrophobicContact CD1-CB 3.87Å; Y488-L496 HydrophobicContact CG-CB 4.33Å; Y488-L496 HydrophobicContact CG-CD2 4.41Å; F490-L496 HydrophobicContact CD1-CD2 3.95Å; F490-L496 HydrophobicContact CD2-CD2 4.3Å; F490-L496 HydrophobicContact CE1-CD2 3.74Å; F490-L496 HydrophobicContact CE2-CD2 4.1Å; F490-L496 HydrophobicContact CG-CD2 4.23Å; F490-L496 HydrophobicContact CZ-CD2 3.81Å
497	L	97.8	Very high	83.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.9	172.9	-61.9	177.7	0	0	0	110.2	L157 L235 A239 L306 Y488 I489 T491 H495	L157-L497 HydrophobicContact CB-CD2 3.91Å; L235-L497 HydrophobicContact CB-CD1 3.89Å; A239-L497 HydrophobicContact CB-CD1 4.1Å; A239-L497 HydrophobicContact CB-CD2 3.92Å; L306-L497 HydrophobicContact CD2-CD1 4.11Å; Y488-L497 CarbonylContact C-O 3.52Å; Y488-L497 WeakPolarHBondContact CA-O 3.43Å; I489-L497 HydrophobicContact CG2-CB 4.02Å; I489-L497 PolarHBondContact N-O 2.87Å; I489-L497 PolarHBondContact O-N 3.27Å; T491-L497 HydrophobicContact CG2-CD1 3.62Å; T491-L497 HydrophobicContact CG2-CG 3.94Å; H495-L497 PolarHBondContact O-N 2.82Å
498	P	95.9	Very high	81	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138	-173.5	26.4	-32.5	0	0	0	113	S161 F243 Y488 W500 L501	S161-P498 VanDerWaalsContact OG-CD 3.32Å; S161-P498 WeakPolarHBondContact OG-CD 3.18Å; F243-P498 HydrophobicContact CZ-CG 4.08Å; Y488-P498 HydrophobicContact CD1-CB 3.9Å; Y488-P498 HydrophobicContact CE1-CB 3.75Å; Y488-P498 HydrophobicContact CE1-CG 4.36Å; P498-W500 HydrophobicContact CB-CG 4.28Å; P498-W500 HydrophobicContact CG-CD2 4.49Å; P498-W500 HydrophobicContact CG-CZ2 4.05Å; P498-W500 PolarHBondContact O-N 3.23Å; P498-W500 VanDerWaalsContact O-N 3.16Å; P498-L501 HydrophobicContact CG-CD1 4.02Å; P498-L501 HydrophobicContact CG-CG 4.14Å; P498-L501 WeakPolarHBondContact O-CB 3.49Å; P498-L501 WeakPolarHBondContact O-CD1 3.47Å; P498-L501 VanDerWaalsContact O-CG 3.28Å; P498-L501 WeakPolarHBondContact O-CG 3.5Å; P498-L501 PolarHBondContact O-N 3.4Å
499	L	94.1	Very high	78.2	Confident	55 Å²	55	58.7 Å²	58.7	29%	0.288	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-66.6	-16.7	-177.2	-65.4	179.2	0	0	0	113.9	V305 E486 D487 I489 L501 S502	V305-L499 HydrophobicContact CG1-CD2 3.93Å; E486-L499 VanDerWaalsContact O-CD1 3.29Å; E486-L499 WeakPolarHBondContact O-CD1 3.29Å; D487-L499 PolarHBondContact O-N 2.86Å; I489-L499 HydrophobicContact CB-CD2 3.96Å; I489-L499 HydrophobicContact CG2-CD2 4.37Å; L499-L501 PolarHBondContact O-N 2.74Å; L499-S502 WeakPolarHBondContact O-CB 3.16Å; L499-S502 PolarHBondContact O-N 3.03Å
500	W	90.6	Very high	75.3	Confident	168 Å²	168	67.5 Å²	67.5	64%	0.636	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.8	174.4	65.7	-110	0	0	0	113.7	F243 P498 S502	F243-W500 HydrophobicContact CD1-CH2 4.01Å; F243-W500 AromaticContact CE1-CH2 3.52Å; F243-W500 HydrophobicContact CE1-CH2 3.52Å; F243-W500 AromaticContact CE1-CZ2 3.77Å; F243-W500 HydrophobicContact CE1-CZ2 3.77Å; F243-W500 HydrophobicContact CZ-CH2 4.39Å; F243-W500 HydrophobicContact CZ-CZ2 4.4Å; P498-W500 HydrophobicContact CB-CG 4.28Å; P498-W500 HydrophobicContact CG-CD2 4.49Å; P498-W500 HydrophobicContact CG-CZ2 4.05Å; P498-W500 PolarHBondContact O-N 3.23Å; P498-W500 VanDerWaalsContact O-N 3.16Å; W500-S502 PolarHBondContact O-N 2.84Å
501	L	89.8	Confident	72.3	Confident	6 Å²	6	75.8 Å²	75.8	3%	0.031	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-65.2	-14.8	168.9	-63.1	169.3	0	0	0	113	A239 R242 F243 L306 P498 L499 T503	A239-L501 HydrophobicContact CB-CD1 3.88Å; R242-L501 HydrophobicContact CB-CD2 3.78Å; F243-L501 HydrophobicContact CD1-CD2 4.19Å; F243-L501 HydrophobicContact CD2-CD1 4.5Å; F243-L501 HydrophobicContact CD2-CD2 4.22Å; F243-L501 HydrophobicContact CE1-CD2 3.99Å; F243-L501 HydrophobicContact CE2-CD1 3.78Å; F243-L501 HydrophobicContact CE2-CD2 4.02Å; F243-L501 HydrophobicContact CG-CD2 4.29Å; F243-L501 HydrophobicContact CZ-CD1 3.98Å; F243-L501 HydrophobicContact CZ-CD2 3.89Å; F243-L501 HydrophobicContact CZ-CG 4.38Å; L306-L501 HydrophobicContact CD1-CB 4.12Å; L306-L501 HydrophobicContact CD1-CD1 4.41Å; P498-L501 HydrophobicContact CG-CD1 4.02Å; P498-L501 HydrophobicContact CG-CG 4.14Å; P498-L501 WeakPolarHBondContact O-CB 3.49Å; P498-L501 WeakPolarHBondContact O-CD1 3.47Å; P498-L501 VanDerWaalsContact O-CG 3.28Å; P498-L501 WeakPolarHBondContact O-CG 3.5Å; P498-L501 PolarHBondContact O-N 3.4Å; L499-L501 PolarHBondContact O-N 2.74Å; L501-T503 PolarHBondContact O-N 3.2Å
502	S	81.6	Confident	69.4	Low	40 Å²	40	83.4 Å²	83.4	28%	0.28	42%	0.424	S	S	.	.			trans	-62.2	116	175.7	-170.8	0	0	0	0	111.7	L306 L499 W500 T504	L306-S502 WeakPolarHBondContact O-CA 3.4Å; L306-S502 WeakPolarHBondContact O-CB 3.47Å; L306-S502 PolarHBondContact O-N 2.92Å; L499-S502 WeakPolarHBondContact O-CB 3.16Å; L499-S502 PolarHBondContact O-N 3.03Å; W500-S502 PolarHBondContact O-N 2.84Å; S502-T504 PolarHBondContact O-N 3.16Å; S502-T504 VanDerWaalsContact O-N 3.09Å
503	T	61.8	Low	66.1	Low	82 Å²	82	88 Å²	88	50%	0.503	45%	0.452	S	S	.	.			trans	-77.1	7.9	-169.3	12.2	0	0	0	0	115.4	R242 L501 N505	R242-T503 PolarHBondContact NE-OG1 2.69Å; R242-T503 VanDerWaalsContact NE-OG1 3.15Å; R242-T503 PolarHBondContact NH2-OG1 3.35Å; L501-T503 PolarHBondContact O-N 3.2Å; T503-N505 VanDerWaalsContact C-N 3.34Å; T503-N505 PolarHBondContact O-N 3.48Å
504	T	51.4	Low	62.9	Low	84 Å²	84	93.7 Å²	93.7	52%	0.515	49%	0.488	S	S	.	.			trans	-71.6	88.2	178.4	-59.1	0	0	0	0	111.1	S502 R506	S502-T504 PolarHBondContact O-N 3.16Å; S502-T504 VanDerWaalsContact O-N 3.09Å; T504-R506 VanDerWaalsContact C-N 3.32Å; T504-R506 HydrophobicContact CG2-CG 4.4Å; T504-R506 PolarHBondContact O-N 2.87Å
505	N	40.2	Very low	59.9	Low	155 Å²	155	97.9 Å²	97.9	83%	0.829	52%	0.517	S	S	*	.			trans	-63.2	81.3	-177.2	-135.4	-27.1	0	0	0	111.5	T503 S507	T503-N505 VanDerWaalsContact C-N 3.34Å; T503-N505 PolarHBondContact O-N 3.48Å; N505-S507 PolarHBondContact O-N 3.33Å
506	R	40.3	Very low	56.6	Low	222 Å²	222	106.5 Å²	106.5	84%	0.838	56%	0.557	S	S	*	*			trans	-72.8	60	-178.9	-87.4	-170.6	168.5	-178.9	-1	112.9	T504 I508	T504-R506 VanDerWaalsContact C-N 3.32Å; T504-R506 HydrophobicContact CG2-CG 4.4Å; T504-R506 PolarHBondContact O-N 2.87Å; R506-I508 PolarHBondContact O-N 2.86Å
507	S	39.1	Very low	53.9	Low	116 Å²	116	117 Å²	117	81%	0.811	60%	0.598	S	S	*	*			trans	-73.4	49.7	160.6	-176.4	0	0	0	0	111.2	N505	N505-S507 PolarHBondContact O-N 3.33Å
508	I	38.4	Very low	50.8	Low	149 Å²	149	123.3 Å²	123.3	76%	0.764	64%	0.637	S	S	*	*	S	Bend	trans	-127.3	125.2	175	-60.7	-177.5	0	0	0	108.1	R506	R506-I508 PolarHBondContact O-N 2.86Å
509	S	36	Very low	48	Very low	100 Å²	100	132.7 Å²	132.7	70%	0.699	68%	0.681	S	S	*	*			trans	-53.2	144.3	-173.7	-176.9	0	0	0	0	113.7	K511	S509-K511 VanDerWaalsContact C-N 3.25Å; S509-K511 PolarHBondContact O-N 2.9Å
510	K	35.5	Very low	45.3	Very low	198 Å²	198	136.2 Å²	136.2	86%	0.861	70%	0.7	S	S	*	*			trans	-62.7	84	165.9	-71.7	-171.4	176.7	-176.2	0	110.2	N512	K510-N512 PolarHBondContact O-N 3.25Å
511	K	35.5	Very low	42.9	Very low	180 Å²	180	132.8 Å²	132.8	78%	0.783	69%	0.694	S	S	*	*			trans	-71.8	113.3	161.6	-77.2	-172.7	175.7	-179.6	0	108.2	S509 T513	S509-K511 VanDerWaalsContact C-N 3.25Å; S509-K511 PolarHBondContact O-N 2.9Å; K511-T513 VanDerWaalsContact C-N 3.29Å; K511-T513 PolarHBondContact O-N 2.9Å
512	N	37.1	Very low	40.9	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	73%	0.726	S	S	*	*			trans	-69.6	88.8	167	-69.2	-12.5	0	0	0	108.5	K510	K510-N512 PolarHBondContact O-N 3.25Å
513	T	30.1	Very low	39.3	Very low	121 Å²	121	139.4 Å²	139.4	74%	0.742	73%	0.73	S	S	*	*			trans	-91	109.6	171.9	-48.1	0	0	0	0	108.3	K511	K511-T513 VanDerWaalsContact C-N 3.29Å; K511-T513 PolarHBondContact O-N 2.9Å
514	T	31.6	Very low	38.6	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	73%	0.727	S	S	*	*			trans	-63.9	140.4	170.3	37.8	0	0	0	0	110.3	E516	T514-E516 PolarHBondContact O-N 3.01Å
515	S	35	Very low	38.6	Very low	88 Å²	88	139.5 Å²	139.5	62%	0.615	72%	0.721	S	S	*	*			trans	-66.3	118.5	177.5	175.6	0	0	0	0	111.2	Y517	S515-Y517 WeakPolarHBondContact OG-CD2 3.17Å; S515-Y517 VanDerWaalsContact OG-CE2 3.28Å; S515-Y517 WeakPolarHBondContact OG-CE2 3.37Å
516	E	28.7	Very low	39.3	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	70%	0.703	S	S	*	*			trans	-114.2	130.5	149.3	-87.2	-176.1	141.7	0	0	107.1	T514 T518	T514-E516 PolarHBondContact O-N 3.01Å; E516-T518 PolarHBondContact O-N 3.27Å
517	Y	40.9	Very low	39.7	Very low	221 Å²	221	132 Å²	132	87%	0.867	69%	0.687	S	S	*	*			trans	-84.9	108	-180	-75.1	-99.1	0	0	0	109.3	S515	S515-Y517 WeakPolarHBondContact OG-CD2 3.17Å; S515-Y517 VanDerWaalsContact OG-CE2 3.28Å; S515-Y517 WeakPolarHBondContact OG-CE2 3.37Å
518	T	33.7	Very low	40.3	Very low	133 Å²	133	130 Å²	130	82%	0.816	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-103.3	163.8	161.9	22.5	0	0	0	0	110.9	E516	E516-T518 PolarHBondContact O-N 3.27Å
519	E	36.6	Very low	40.7	Very low	197 Å²	197	126.7 Å²	126.7	92%	0.921	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-68.8	149.7	-158.2	-62.6	173.2	133.9	0	0	113.8	D521	E519-D521 PolarHBondContact O-N 3.27Å
520	L	38.5	Very low	41.3	Very low	130 Å²	130	123 Å²	123	68%	0.681	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-76.8	118.8	-178.7	-67.1	167.7	0	0	0	110.3
521	D	40	Very low	41.9	Very low	96 Å²	96	117 Å²	117	51%	0.513	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-89.4	137.7	160.3	178.4	30.1	0	0	0	109.5	E519 S523 N524	E519-D521 PolarHBondContact O-N 3.27Å; D521-S523 PolarHBondContact O-N 2.84Å; D521-S523 VanDerWaalsContact O-N 3.14Å; D521-S523 WeakPolarHBondContact OD2-CB 3.46Å; D521-S523 PolarHBondContact OD2-OG 2.62Å; D521-N524 PolarHBondContact O-N 3.14Å; D521-N524 VanDerWaalsContact O-N 3.11Å; D521-N524 PolarHBondContact O-ND2 2.91Å
522	D	46.2	Very low	42.5	Very low	131 Å²	131	110 Å²	110	70%	0.701	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-58.3	-29.4	-175.6	-73.8	-36.6	0	0	0	111.8	N524 F525	D522-N524 PolarHBondContact O-N 2.92Å; D522-F525 PolarHBondContact O-N 2.99Å
523	S	49.1	Very low	43.1	Very low	53 Å²	53	109.5 Å²	109.5	37%	0.371	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-56.8	-21.5	177.3	72.8	0	0	0	0	114.5	D521 F525 W527	D521-S523 PolarHBondContact O-N 2.84Å; D521-S523 VanDerWaalsContact O-N 3.14Å; D521-S523 WeakPolarHBondContact OD2-CB 3.46Å; D521-S523 PolarHBondContact OD2-OG 2.62Å; S523-F525 VanDerWaalsContact C-N 3.32Å; S523-F525 PolarHBondContact O-N 3.42Å; S523-W527 VanDerWaalsContact O-CD1 3.3Å
524	N	46.7	Very low	43.9	Very low	84 Å²	84	109 Å²	109	45%	0.449	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-74.6	-19	177.2	-71	-75	0	0	0	113.7	D521 D522 D526 W527 T528	D521-N524 PolarHBondContact O-N 3.14Å; D521-N524 VanDerWaalsContact O-N 3.11Å; D521-N524 PolarHBondContact O-ND2 2.91Å; D522-N524 PolarHBondContact O-N 2.92Å; N524-D526 VanDerWaalsContact C-N 3.33Å; N524-W527 PolarHBondContact O-N 3.3Å; N524-T528 PolarHBondContact O-N 3.15Å; N524-T528 PolarHBondContact O-OG1 2.8Å
525	F	52.4	Low	44.9	Very low	85 Å²	85	105.4 Å²	105.4	37%	0.373	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-73.4	-24.7	177.3	-76.6	-70.9	0	0	0	112.9	D522 S523 W527 P530 L535	D522-F525 PolarHBondContact O-N 2.99Å; S523-F525 VanDerWaalsContact C-N 3.32Å; S523-F525 PolarHBondContact O-N 3.42Å; F525-W527 VanDerWaalsContact C-N 3.26Å; F525-W527 PolarHBondContact O-N 2.99Å; F525-P530 HydrophobicContact CD1-CB 4.23Å; F525-P530 HydrophobicContact CE1-CB 4.31Å; F525-L535 HydrophobicContact CE1-CD2 3.69Å; F525-L535 HydrophobicContact CZ-CD2 4.2Å
526	D	53	Low	46	Very low	88 Å²	88	104 Å²	104	47%	0.471	53%	0.525	S	S	.	.	S	Bend	trans	-68.5	-25.8	176.2	-70.3	-39.6	0	0	0	112.9	L313 N524	L313-D526 WeakPolarHBondContact CD2-O 3.23Å; N524-D526 VanDerWaalsContact C-N 3.33Å
527	W	49.9	Very low	47	Very low	131 Å²	131	99.5 Å²	99.5	50%	0.496	51%	0.512	S	S	.	.	S	Bend	trans	-111.5	-0.8	-170.1	-61.8	101.3	0	0	0	115	D310 L313 S523 N524 F525	D310-W527 HydrophobicContact CB-CH2 3.93Å; D310-W527 HydrophobicContact CB-CZ3 3.73Å; L313-W527 HydrophobicContact CD2-CD2 4.44Å; L313-W527 HydrophobicContact CD2-CE3 3.67Å; L313-W527 HydrophobicContact CD2-CZ3 3.84Å; S523-W527 VanDerWaalsContact O-CD1 3.3Å; N524-W527 PolarHBondContact O-N 3.3Å; F525-W527 VanDerWaalsContact C-N 3.26Å; F525-W527 PolarHBondContact O-N 2.99Å
528	T	50.7	Low	47.5	Very low	73 Å²	73	96.5 Å²	96.5	45%	0.448	51%	0.511	S	S	.	.	S	Bend	trans	-122.7	135.7	-178.6	54.1	0	0	0	0	111.3	N524 P530	N524-T528 PolarHBondContact O-N 3.15Å; N524-T528 PolarHBondContact O-OG1 2.8Å; T528-P530 WeakPolarHBondContact O-CD 3.2Å
529	C	47	Very low	49	Very low	81 Å²	81	94.2 Å²	94.2	55%	0.547	49%	0.494	S	S	.	.			trans	-65.9	109.1	157.4	-63.4	0	0	0	0	106.7	N531	C529-N531 PolarHBondContact O-N 3.4Å
530	P	49.7	Very low	50.3	Low	23 Å²	23	90 Å²	90	15%	0.149	48%	0.484	C	S	.	.			trans	-77	118	-165.3	32	-35.5	0	0	0	110.1	K363 F525 T528 T532 L535	K363-P530 WeakPolarHBondContact O-CD 3.28Å; F525-P530 HydrophobicContact CD1-CB 4.23Å; F525-P530 HydrophobicContact CE1-CB 4.31Å; T528-P530 WeakPolarHBondContact O-CD 3.2Å; P530-T532 PolarHBondContact O-N 3.32Å; P530-L535 HydrophobicContact CB-CD1 3.77Å; P530-L535 HydrophobicContact CB-CD2 4.46Å; P530-L535 HydrophobicContact CB-CG 4.05Å; P530-L535 HydrophobicContact CG-CD1 3.85Å
531	N	48	Very low	52	Low	70 Å²	70	88.8 Å²	88.8	37%	0.374	48%	0.477	S	S	.	.			trans	-61.7	126	178.1	178.7	-3.9	0	0	0	110	C529 Q533 I534 L535	C529-N531 PolarHBondContact O-N 3.4Å; N531-Q533 PolarHBondContact O-N 3.13Å; N531-Q533 VanDerWaalsContact OD1-CB 3.27Å; N531-Q533 WeakPolarHBondContact OD1-CB 3.44Å; N531-Q533 WeakPolarHBondContact OD1-CG 3.13Å; N531-Q533 PolarHBondContact OD1-N 3.13Å; N531-I534 HydrophobicContact CB-CB 4.46Å; N531-I534 HydrophobicContact CB-CD1 3.98Å; N531-I534 HydrophobicContact CB-CG1 4.01Å; N531-I534 WeakPolarHBondContact O-CA 3.34Å; N531-I534 WeakPolarHBondContact O-CB 3.17Å; N531-I534 PolarHBondContact O-N 3.19Å; N531-L535 PolarHBondContact O-N 2.88Å
532	T	47.3	Very low	53.9	Low	34 Å²	34	86.6 Å²	86.6	21%	0.209	46%	0.462	C	S	.	.	H	α-helix	trans	-63.8	-22.2	179.5	52.6	0	0	0	0	113.2	I366 A417 P530 I534 F536	I366-T532 HydrophobicContact CD1-CG2 4.24Å; I366-T532 HydrophobicContact CG1-CG2 4.1Å; A417-T532 HydrophobicContact CB-CG2 4.14Å; A417-T532 WeakPolarHBondContact O-CB 3.09Å; A417-T532 VanDerWaalsContact O-CG2 3.27Å; A417-T532 WeakPolarHBondContact O-CG2 3.38Å; A417-T532 PolarHBondContact O-OG1 3.09Å; P530-T532 PolarHBondContact O-N 3.32Å; T532-I534 PolarHBondContact O-N 3.39Å; T532-F536 CarbonylContact O-C 3.5Å; T532-F536 WeakPolarHBondContact O-CA 3.27Å; T532-F536 PolarHBondContact O-N 3.39Å
533	Q	49.4	Very low	55.5	Low	150 Å²	150	80.7 Å²	80.7	70%	0.701	43%	0.432	S	S	*	.	H	α-helix	trans	-67.8	-21	169.7	-57.3	174	-3.9	0	0	113.1	N531	N531-Q533 PolarHBondContact O-N 3.13Å; N531-Q533 VanDerWaalsContact OD1-CB 3.27Å; N531-Q533 WeakPolarHBondContact OD1-CB 3.44Å; N531-Q533 WeakPolarHBondContact OD1-CG 3.13Å; N531-Q533 PolarHBondContact OD1-N 3.13Å
534	I	47.5	Very low	57.2	Low	111 Å²	111	80.6 Å²	80.6	57%	0.569	43%	0.425	S	S	*	.	H	α-helix	trans	-94.7	-43	177	-57.8	179.2	0	0	0	110.2	N531 T532	N531-I534 HydrophobicContact CB-CB 4.46Å; N531-I534 HydrophobicContact CB-CD1 3.98Å; N531-I534 HydrophobicContact CB-CG1 4.01Å; N531-I534 WeakPolarHBondContact O-CA 3.34Å; N531-I534 WeakPolarHBondContact O-CB 3.17Å; N531-I534 PolarHBondContact O-N 3.19Å; T532-I534 PolarHBondContact O-N 3.39Å
535	L	52.6	Low	59	Low	54 Å²	54	79.9 Å²	79.9	28%	0.283	43%	0.427	S	S	.	.	H	α-helix	trans	-68.3	-41.6	176.7	-73.3	178.3	0	0	0	113.3	F525 P530 N531 P537	F525-L535 HydrophobicContact CE1-CD2 3.69Å; F525-L535 HydrophobicContact CZ-CD2 4.2Å; P530-L535 HydrophobicContact CB-CD1 3.77Å; P530-L535 HydrophobicContact CB-CD2 4.46Å; P530-L535 HydrophobicContact CB-CG 4.05Å; P530-L535 HydrophobicContact CG-CD1 3.85Å; N531-L535 PolarHBondContact O-N 2.88Å; L535-P537 VanDerWaalsContact C-CD 3.48Å
536	F	59.1	Low	60.4	Low	57 Å²	57	76.6 Å²	76.6	25%	0.25	41%	0.413	C	S	.	.	S	Bend	trans	-131.4	62.1	-170.6	-50.2	-60.8	0	0	0	111.9	I366 T532 N538 Y542	I366-F536 HydrophobicContact CB-CE2 4.14Å; I366-F536 HydrophobicContact CG1-CE2 4.19Å; I366-F536 HydrophobicContact CG2-CE2 4.45Å; T532-F536 CarbonylContact O-C 3.5Å; T532-F536 WeakPolarHBondContact O-CA 3.27Å; T532-F536 PolarHBondContact O-N 3.39Å; F536-N538 PolarHBondContact O-N 3.32Å; F536-Y542 HydrophobicContact CD1-CD1 4.11Å; F536-Y542 AromaticContact CD1-CD2 3.89Å; F536-Y542 HydrophobicContact CD1-CD2 3.89Å; F536-Y542 AromaticContact CD1-CE1 4Å; F536-Y542 HydrophobicContact CD1-CE1 4Å; F536-Y542 AromaticContact CD1-CE2 3.76Å; F536-Y542 HydrophobicContact CD1-CE2 3.76Å; F536-Y542 HydrophobicContact CD1-CG 4.06Å; F536-Y542 AromaticContact CD1-CZ 3.81Å; F536-Y542 HydrophobicContact CD2-CD1 4.21Å; F536-Y542 HydrophobicContact CD2-CE1 4.11Å; F536-Y542 HydrophobicContact CE1-CD1 4.25Å; F536-Y542 HydrophobicContact CE1-CD2 4.09Å; F536-Y542 AromaticContact CE1-CE1 3.66Å; F536-Y542 HydrophobicContact CE1-CE1 3.66Å; F536-Y542 AromaticContact CE1-CE2 3.46Å; F536-Y542 HydrophobicContact CE1-CE2 3.46Å; F536-Y542 VanDerWaalsContact CE1-CE2 3.46Å; F536-Y542 HydrophobicContact CE1-CG 4.44Å; F536-Y542 AromaticContact CE1-CZ 3.21Å; F536-Y542 WeakPolarHBondContact CE1-OH 3.24Å; F536-Y542 HydrophobicContact CE2-CD1 4.32Å; F536-Y542 AromaticContact CE2-CE1 3.76Å; F536-Y542 HydrophobicContact CE2-CE1 3.76Å; F536-Y542 HydrophobicContact CG-CD1 4.11Å; F536-Y542 HydrophobicContact CG-CE1 4.23Å; F536-Y542 HydrophobicContact CG-CG 4.29Å; F536-Y542 HydrophobicContact CZ-CD1 4.35Å; F536-Y542 AromaticContact CZ-CE1 3.53Å; F536-Y542 HydrophobicContact CZ-CE1 3.53Å; F536-Y542 HydrophobicContact CZ-CE2 4.14Å; F536-Y542 AromaticContact CZ-CZ 3.39Å; F536-Y542 VanDerWaalsContact CZ-OH 3.28Å; F536-Y542 WeakPolarHBondContact CZ-OH 3.46Å
537	P	47.8	Very low	62	Low	87 Å²	87	73.1 Å²	73.1	57%	0.565	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	96	-174.2	26.9	-35.5	0	0	0	112.7	L535	L535-P537 VanDerWaalsContact C-CD 3.48Å
538	N	52.3	Low	63.7	Low	158 Å²	158	71.9 Å²	71.9	85%	0.845	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	30.3	172.8	-43.7	-81.7	0	0	0	116.9	F536 P540	F536-N538 PolarHBondContact O-N 3.32Å; N538-P540 WeakPolarHBondContact O-CD 3.14Å
539	D	65.9	Low	65.2	Low	85 Å²	85	72.3 Å²	72.3	46%	0.455	40%	0.397	S	S	.	.			trans	-102.2	90.3	164.4	-172.2	2.1	0	0	0	112.2	L541 Y542	D539-L541 PolarHBondContact O-N 3.41Å; D539-L541 WeakPolarHBondContact OD1-CA 3.35Å; D539-L541 WeakPolarHBondContact OD1-CB 3.49Å; D539-L541 PolarHBondContact OD1-N 2.8Å; D539-Y542 WeakPolarHBondContact O-CB 3.29Å; D539-Y542 PolarHBondContact O-N 3.16Å; D539-Y542 PolarHBondContact OD1-N 3.25Å
540	P	63.3	Low	66.8	Low	110 Å²	110	69.6 Å²	69.6	71%	0.714	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.2	175.9	32.3	-37.1	0	0	0	113.4	N538	N538-P540 WeakPolarHBondContact O-CD 3.14Å
541	L	74.9	Confident	67.9	Low	103 Å²	103	72.7 Å²	72.7	54%	0.539	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.3	176.4	-57.3	178.6	0	0	0	112.4	D539 A543 Q544 S545	D539-L541 PolarHBondContact O-N 3.41Å; D539-L541 WeakPolarHBondContact OD1-CA 3.35Å; D539-L541 WeakPolarHBondContact OD1-CB 3.49Å; D539-L541 PolarHBondContact OD1-N 2.8Å; L541-A543 PolarHBondContact O-N 3.09Å; L541-Q544 WeakPolarHBondContact O-CB 3.29Å; L541-Q544 PolarHBondContact O-N 3.11Å; L541-Q544 VanDerWaalsContact O-N 3.14Å; L541-S545 WeakPolarHBondContact O-CB 3.42Å; L541-S545 PolarHBondContact O-N 3.43Å
542	Y	79.8	Confident	69	Low	51 Å²	51	73.2 Å²	73.2	20%	0.2	39%	0.391	C	S	.	.	H	α-helix	trans	-51.5	-56.9	-179	177.7	-101.6	0	0	0	112.1	I370 F536 D539 Q544 S545 I546	I370-Y542 HydrophobicContact CD1-CE1 4.41Å; F536-Y542 HydrophobicContact CD1-CD1 4.11Å; F536-Y542 AromaticContact CD1-CD2 3.89Å; F536-Y542 HydrophobicContact CD1-CD2 3.89Å; F536-Y542 AromaticContact CD1-CE1 4Å; F536-Y542 HydrophobicContact CD1-CE1 4Å; F536-Y542 AromaticContact CD1-CE2 3.76Å; F536-Y542 HydrophobicContact CD1-CE2 3.76Å; F536-Y542 HydrophobicContact CD1-CG 4.06Å; F536-Y542 AromaticContact CD1-CZ 3.81Å; F536-Y542 HydrophobicContact CD2-CD1 4.21Å; F536-Y542 HydrophobicContact CD2-CE1 4.11Å; F536-Y542 HydrophobicContact CE1-CD1 4.25Å; F536-Y542 HydrophobicContact CE1-CD2 4.09Å; F536-Y542 AromaticContact CE1-CE1 3.66Å; F536-Y542 HydrophobicContact CE1-CE1 3.66Å; F536-Y542 AromaticContact CE1-CE2 3.46Å; F536-Y542 HydrophobicContact CE1-CE2 3.46Å; F536-Y542 VanDerWaalsContact CE1-CE2 3.46Å; F536-Y542 HydrophobicContact CE1-CG 4.44Å; F536-Y542 AromaticContact CE1-CZ 3.21Å; F536-Y542 WeakPolarHBondContact CE1-OH 3.24Å; F536-Y542 HydrophobicContact CE2-CD1 4.32Å; F536-Y542 AromaticContact CE2-CE1 3.76Å; F536-Y542 HydrophobicContact CE2-CE1 3.76Å; F536-Y542 HydrophobicContact CG-CD1 4.11Å; F536-Y542 HydrophobicContact CG-CE1 4.23Å; F536-Y542 HydrophobicContact CG-CG 4.29Å; F536-Y542 HydrophobicContact CZ-CD1 4.35Å; F536-Y542 AromaticContact CZ-CE1 3.53Å; F536-Y542 HydrophobicContact CZ-CE1 3.53Å; F536-Y542 HydrophobicContact CZ-CE2 4.14Å; F536-Y542 AromaticContact CZ-CZ 3.39Å; F536-Y542 VanDerWaalsContact CZ-OH 3.28Å; F536-Y542 WeakPolarHBondContact CZ-OH 3.46Å; D539-Y542 WeakPolarHBondContact O-CB 3.29Å; D539-Y542 PolarHBondContact O-N 3.16Å; D539-Y542 PolarHBondContact OD1-N 3.25Å; Y542-Q544 VanDerWaalsContact C-N 3.35Å; Y542-Q544 PolarHBondContact O-N 3.28Å; Y542-S545 PolarHBondContact O-N 2.76Å; Y542-S545 PolarHBondContact O-OG 2.97Å; Y542-I546 HydrophobicContact CD1-CD1 4.09Å; Y542-I546 HydrophobicContact CE1-CD1 3.55Å; Y542-I546 HydrophobicContact CE2-CD1 4.16Å; Y542-I546 PolarHBondContact O-N 2.85Å
543	A	80.1	Confident	70.1	Confident	7 Å²	7	73.2 Å²	73.2	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-65.7	-35.5	179.4	0	0	0	0	0	112.6	I370 D420 L541 S545 I546 R547	I370-A543 HydrophobicContact CD1-CB 3.88Å; D420-A543 HydrophobicContact CB-CB 4.39Å; D420-A543 VanDerWaalsContact OD2-CB 3.3Å; D420-A543 WeakPolarHBondContact OD2-CB 3.41Å; L541-A543 PolarHBondContact O-N 3.09Å; A543-S545 VanDerWaalsContact C-N 3.35Å; A543-S545 PolarHBondContact O-N 2.87Å; A543-I546 PolarHBondContact O-N 2.79Å; A543-R547 VanDerWaalsContact O-CG 3.29Å; A543-R547 WeakPolarHBondContact O-CG 3.26Å; A543-R547 PolarHBondContact O-N 2.81Å; A543-R547 PolarHBondContact O-NE 3.13Å
544	Q	82.9	Confident	70.7	Confident	50 Å²	50	66.2 Å²	66.2	23%	0.234	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-41	173.5	179.2	174.3	-18.8	0	0	111.8	L541 Y542 I546 R547 E548	L541-Q544 WeakPolarHBondContact O-CB 3.29Å; L541-Q544 PolarHBondContact O-N 3.11Å; L541-Q544 VanDerWaalsContact O-N 3.14Å; Y542-Q544 VanDerWaalsContact C-N 3.35Å; Y542-Q544 PolarHBondContact O-N 3.28Å; Q544-I546 VanDerWaalsContact C-N 3.28Å; Q544-I546 PolarHBondContact O-N 3.02Å; Q544-R547 PolarHBondContact O-N 3.41Å; Q544-E548 HydrophobicContact CG-CG 4.09Å; Q544-E548 PolarHBondContact NE2-OE1 2.68Å; Q544-E548 WeakPolarHBondContact O-CG 3.46Å; Q544-E548 PolarHBondContact O-N 3.42Å
545	S	84.5	Confident	71.2	Confident	69 Å²	69	66 Å²	66	48%	0.483	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-31.6	-177.7	79.5	0	0	0	0	113.2	L541 Y542 A543 P549	L541-S545 WeakPolarHBondContact O-CB 3.42Å; L541-S545 PolarHBondContact O-N 3.43Å; Y542-S545 PolarHBondContact O-N 2.76Å; Y542-S545 PolarHBondContact O-OG 2.97Å; A543-S545 VanDerWaalsContact C-N 3.35Å; A543-S545 PolarHBondContact O-N 2.87Å; S545-P549 WeakPolarHBondContact O-CD 3.35Å
546	I	82.3	Confident	71	Confident	17 Å²	17	70.6 Å²	70.6	9%	0.087	38%	0.376	C	S	.	.	H	α-helix	trans	-77.3	-39.2	175.5	-62.1	164.3	0	0	0	110.8	R367 I370 E371 Y542 A543 Q544 P549	R367-I546 HydrophobicContact CB-CD1 4.19Å; R367-I546 HydrophobicContact CG-CD1 3.99Å; I370-I546 HydrophobicContact CB-CG2 4.05Å; I370-I546 HydrophobicContact CD1-CD1 3.98Å; I370-I546 HydrophobicContact CG2-CB 3.92Å; I370-I546 HydrophobicContact CG2-CG2 3.61Å; E371-I546 HydrophobicContact CG-CG2 3.37Å; Y542-I546 HydrophobicContact CD1-CD1 4.09Å; Y542-I546 HydrophobicContact CE1-CD1 3.55Å; Y542-I546 HydrophobicContact CE2-CD1 4.16Å; Y542-I546 PolarHBondContact O-N 2.85Å; A543-I546 PolarHBondContact O-N 2.79Å; Q544-I546 VanDerWaalsContact C-N 3.28Å; Q544-I546 PolarHBondContact O-N 3.02Å; I546-P549 WeakPolarHBondContact O-CD 3.27Å
547	R	87.8	Confident	70.1	Confident	15 Å²	15	70.4 Å²	70.4	6%	0.057	38%	0.381	C	S	.	.	H	α-helix	trans	-76.8	-32.4	-177.6	-64.7	-177.7	-63.1	94.4	-3.2	113.6	I370 E374 D420 Y422 A543 Q544 L550 K551	I370-R547 HydrophobicContact CG2-CG 3.35Å; E374-R547 HydrophobicContact CB-CB 4.49Å; E374-R547 HydrophobicContact CB-CG 4.08Å; E374-R547 HydrophobicContact CG-CB 4.15Å; E374-R547 HydrophobicContact CG-CG 4.28Å; D420-R547 IonicContact OD1-NH2 3.16Å; D420-R547 PolarHBondContact OD1-NH2 2.86Å; D420-R547 IonicContact OD2-CZ 3.99Å; D420-R547 IonicContact OD2-NE 3.31Å; D420-R547 PolarHBondContact OD2-NE 3.26Å; D420-R547 IonicContact OD2-NH2 2.75Å; D420-R547 PolarHBondContact OD2-NH2 2.99Å; Y422-R547 VanDerWaalsContact CG-CZ 3.43Å; A543-R547 VanDerWaalsContact O-CG 3.29Å; A543-R547 WeakPolarHBondContact O-CG 3.26Å; A543-R547 PolarHBondContact O-N 2.81Å; A543-R547 PolarHBondContact O-NE 3.13Å; Q544-R547 PolarHBondContact O-N 3.41Å; R547-L550 PolarHBondContact O-N 3.22Å; R547-L550 VanDerWaalsContact O-N 3.09Å; R547-K551 PolarHBondContact O-N 2.97Å
548	E	83.8	Confident	69.3	Low	104 Å²	104	68.3 Å²	68.3	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-58.3	-44.4	-176.4	-85.5	-170.1	-176.2	0	0	115.4	Q544 L550 K551	Q544-E548 HydrophobicContact CG-CG 4.09Å; Q544-E548 PolarHBondContact NE2-OE1 2.68Å; Q544-E548 WeakPolarHBondContact O-CG 3.46Å; Q544-E548 PolarHBondContact O-N 3.42Å; E548-L550 PolarHBondContact O-N 3.2Å; E548-K551 WeakPolarHBondContact O-CB 3.05Å; E548-K551 PolarHBondContact O-N 3.22Å
549	P	83.7	Confident	68.4	Low	82 Å²	82	66.2 Å²	66.2	53%	0.532	36%	0.363	S	S	.	.	H	α-helix	trans	-56.9	-37.6	172.5	-27.1	35.1	0	0	0	113.7	S545 I546	S545-P549 WeakPolarHBondContact O-CD 3.35Å; I546-P549 WeakPolarHBondContact O-CD 3.27Å
550	L	80.4	Confident	66.6	Low	24 Å²	24	73.4 Å²	73.4	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-84.5	-23.2	-173.5	-61.6	178.4	0	0	0	113.6	P331 E371 E374 R547 E548 N552 V553	P331-L550 HydrophobicContact CB-CD2 4.42Å; P331-L550 HydrophobicContact CG-CD2 4.19Å; E371-L550 HydrophobicContact CB-CD1 3.95Å; E371-L550 HydrophobicContact CG-CD1 4.13Å; E371-L550 WeakPolarHBondContact O-CD1 3.37Å; E374-L550 HydrophobicContact CB-CB 4.37Å; E374-L550 HydrophobicContact CB-CD1 4.38Å; E374-L550 HydrophobicContact CG-CB 3.71Å; R547-L550 PolarHBondContact O-N 3.22Å; R547-L550 VanDerWaalsContact O-N 3.09Å; E548-L550 PolarHBondContact O-N 3.2Å; L550-N552 PolarHBondContact O-N 3.09Å; L550-V553 HydrophobicContact CD2-CG2 4.03Å; L550-V553 WeakPolarHBondContact O-CB 3.41Å; L550-V553 PolarHBondContact O-N 2.67Å
551	K	73.2	Confident	65	Low	88 Å²	88	71.5 Å²	71.5	38%	0.383	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-10.5	-174.2	-167.5	171.1	-179.5	176.5	0	116.9	Q378 R547 E548	Q378-K551 VanDerWaalsContact NE2-C 3.32Å; Q378-K551 PolarHBondContact NE2-O 2.88Å; Q378-K551 PolarHBondContact OE1-O 3.31Å; R547-K551 PolarHBondContact O-N 2.97Å; E548-K551 WeakPolarHBondContact O-CB 3.05Å; E548-K551 PolarHBondContact O-N 3.22Å
552	N	70.2	Confident	62.8	Low	81 Å²	81	74.4 Å²	74.4	43%	0.433	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	18.5	176.3	-58.3	-99	0	0	0	113	L550 D555 K556	L550-N552 PolarHBondContact O-N 3.09Å; N552-D555 PolarHBondContact O-N 2.78Å; N552-K556 VanDerWaalsContact O-CG 3.27Å; N552-K556 WeakPolarHBondContact O-CG 3.3Å; N552-K556 PolarHBondContact O-N 3.17Å
553	V	70.9	Confident	60.4	Low	35 Å²	35	78.9 Å²	78.9	21%	0.212	43%	0.425	C	S	.	.	H	α-helix	trans	-63.5	-44	-176.3	160.2	0	0	0	0	111.6	F394 L550 D555 K556 S557	F394-V553 HydrophobicContact CE2-CG1 3.71Å; F394-V553 HydrophobicContact CZ-CG1 3.94Å; L550-V553 HydrophobicContact CD2-CG2 4.03Å; L550-V553 WeakPolarHBondContact O-CB 3.41Å; L550-V553 PolarHBondContact O-N 2.67Å; V553-D555 VanDerWaalsContact C-N 3.27Å; V553-D555 PolarHBondContact O-N 3.11Å; V553-K556 PolarHBondContact O-N 3.32Å; V553-K556 VanDerWaalsContact O-N 3.12Å; V553-S557 PolarHBondContact O-N 3.42Å; V553-S557 VanDerWaalsContact O-N 3.08Å; V553-S557 PolarHBondContact O-OG 2.76Å
554	V	60.8	Low	58.3	Low	2 Å²	2	90 Å²	90	1%	0.012	47%	0.465	C	S	.	.	H	α-helix	trans	-63.5	-32.3	178.6	172.5	0	0	0	0	112.7	Q378 V379 K382 F394	Q378-V554 HydrophobicContact CB-CB 3.89Å; Q378-V554 HydrophobicContact CB-CG2 3.39Å; V379-V554 HydrophobicContact CG2-CG2 4.3Å; K382-V554 HydrophobicContact CB-CG1 3.96Å; K382-V554 HydrophobicContact CD-CG1 3.27Å; K382-V554 HydrophobicContact CG-CG1 4.26Å; F394-V554 HydrophobicContact CB-CG1 4.01Å; F394-V554 HydrophobicContact CB-CG2 4.12Å; F394-V554 HydrophobicContact CD1-CG2 4.07Å; F394-V554 HydrophobicContact CD2-CB 4.24Å; F394-V554 HydrophobicContact CD2-CG2 3.74Å; F394-V554 HydrophobicContact CE1-CG2 4.44Å; F394-V554 HydrophobicContact CE2-CG2 4.13Å; F394-V554 HydrophobicContact CG-CB 4.43Å; F394-V554 HydrophobicContact CG-CG1 4.42Å; F394-V554 HydrophobicContact CG-CG2 3.7Å; F394-V554 HydrophobicContact CZ-CG2 4.46Å
555	D	58.2	Low	55.7	Low	106 Å²	106	93.5 Å²	93.5	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-77.9	-27.9	174.5	-86	-7	0	0	0	113.5	N552 V553	N552-D555 PolarHBondContact O-N 2.78Å; V553-D555 VanDerWaalsContact C-N 3.27Å; V553-D555 PolarHBondContact O-N 3.11Å
556	K	48.9	Very low	53.1	Low	152 Å²	152	99.3 Å²	99.3	66%	0.661	51%	0.509	S	S	*	.	H	α-helix	trans	-73.9	-31.6	173.7	-71.6	164.9	-175.4	171.9	0	111.7	N552 V553 C558	N552-K556 VanDerWaalsContact O-CG 3.27Å; N552-K556 WeakPolarHBondContact O-CG 3.3Å; N552-K556 PolarHBondContact O-N 3.17Å; V553-K556 PolarHBondContact O-N 3.32Å; V553-K556 VanDerWaalsContact O-N 3.12Å; K556-C558 PolarHBondContact O-N 3.39Å
557	S	41.2	Very low	50.5	Low	52 Å²	52	107.7 Å²	107.7	36%	0.364	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	8.4	-179.8	-62.2	0	0	0	0	115.1	V553	V553-S557 PolarHBondContact O-N 3.42Å; V553-S557 VanDerWaalsContact O-N 3.08Å; V553-S557 PolarHBondContact O-OG 2.76Å
558	C	29.4	Very low	47.7	Very low	43 Å²	43	112.5 Å²	112.5	29%	0.291	58%	0.584	S	S	.	*	S	Bend	trans	-137.5	135.7	173.7	-77.9	0	0	0	0	110.9	K382 K556 R560	K382-C558 PolarHBondContact NZ-SG 3.47Å; K556-C558 PolarHBondContact O-N 3.39Å; C558-R560 PolarHBondContact O-N 3.48Å
559	P	33.4	Very low	45.4	Very low	114 Å²	114	117 Å²	117	74%	0.74	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-64.1	122.5	170.4	27.6	-32.7	0	0	0	108.9	G561	P559-G561 PolarHBondContact O-N 2.81Å
560	R	29.5	Very low	42.9	Very low	237 Å²	237	124.9 Å²	124.9	89%	0.894	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-46.1	121.6	-173.5	-73.2	-179.6	173.8	169.4	-2.9	112.1	C558 I562	C558-R560 PolarHBondContact O-N 3.48Å; R560-I562 PolarHBondContact O-N 3.05Å
561	G	28.6	Very low	40.7	Very low	69 Å²	69	129.4 Å²	129.4	71%	0.711	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-57.2	130.2	172.6	0	0	0	0	0	110.6	P559 I563	P559-G561 PolarHBondContact O-N 2.81Å; G561-I563 PolarHBondContact O-N 3.48Å
562	I	29.7	Very low	39	Very low	164 Å²	164	128.5 Å²	128.5	84%	0.841	67%	0.671	S	S	*	*			trans	-74.4	92	-177.5	-58.1	174.9	0	0	0	109	R560 R564	R560-I562 PolarHBondContact O-N 3.05Å; I562-R564 PolarHBondContact O-N 3.11Å
563	I	28.4	Very low	37.7	Very low	146 Å²	146	129.4 Å²	129.4	75%	0.749	69%	0.69	S	S	*	*			trans	-62.6	115.4	162.1	-65.7	179	0	0	0	107.3	G561 V565	G561-I563 PolarHBondContact O-N 3.48Å; I563-V565 HydrophobicContact CG2-CG2 3.99Å; I563-V565 PolarHBondContact O-N 3.25Å
564	R	36.1	Very low	36.8	Very low	239 Å²	239	137 Å²	137	90%	0.902	72%	0.72	S	S	*	*			trans	-74.2	87.6	172.8	-80	178.4	163.5	174.4	-5	110	I562	I562-R564 PolarHBondContact O-N 3.11Å
565	V	28.9	Very low	36.6	Very low	125 Å²	125	138.8 Å²	138.8	76%	0.758	73%	0.731	S	S	*	*			trans	-127.4	147	158.3	178.4	0	0	0	0	108.1	I563 E567	I563-V565 HydrophobicContact CG2-CG2 3.99Å; I563-V565 PolarHBondContact O-N 3.25Å; V565-E567 PolarHBondContact O-N 2.86Å
566	E	30.1	Very low	37.2	Very low	190 Å²	190	136.9 Å²	136.9	89%	0.888	73%	0.725	S	S	*	*	S	Bend	trans	-84.6	100.5	-161.2	-61.1	169.1	115.8	0	0	113
567	E	28.4	Very low	38.7	Very low	193 Å²	193	130.3 Å²	130.3	90%	0.902	70%	0.697	S	S	*	*			trans	-145.1	42.4	166.6	-134.8	171.2	-139	0	0	113.7	V565 F569	V565-E567 PolarHBondContact O-N 2.86Å; E567-F569 PolarHBondContact O-N 3.03Å
568	S	28.4	Very low	40.7	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	70%	0.695	S	S	*	*			trans	-78.6	73	-176.1	62	0	0	0	0	113.9
569	F	35.3	Very low	43.1	Very low	198 Å²	198	130.1 Å²	130.1	87%	0.868	68%	0.684	S	S	*	*			trans	-138	55.7	172.3	-110.4	-72.7	0	0	0	115.5	E567	E567-F569 PolarHBondContact O-N 3.03Å
570	R	30.7	Very low	45.1	Very low	248 Å²	248	132.8 Å²	132.8	94%	0.936	68%	0.679	S	S	*	*	S	Bend	trans	-155.8	151.5	149.2	-127.8	168.6	-85.5	-148	0.5	112.5
571	S	35.3	Very low	47.4	Very low	119 Å²	119	125.9 Å²	125.9	83%	0.832	66%	0.66	S	S	*	*			trans	-66.9	150	177.4	-154.7	0	0	0	0	110.8
572	G	37.7	Very low	50	Low	69 Å²	69	124.2 Å²	124.2	71%	0.711	63%	0.633	S	S	*	*			cis	125.4	89.2	0.6	0	0	0	0	0	111.6
573	A	41.1	Very low	52.3	Low	101 Å²	101	121.5 Å²	121.5	84%	0.835	62%	0.618	S	S	*	*			trans	-145.3	141.7	164.3	0	0	0	0	0	107.5
574	K	53.2	Low	54.4	Low	193 Å²	193	116.5 Å²	116.5	84%	0.839	60%	0.598	S	S	*	*			trans	-95.7	150	165.2	-70.6	179	178.4	178.7	0	107.5
575	P	57.3	Low	56.3	Low	40 Å²	40	111 Å²	111	26%	0.26	59%	0.591	S	S	.	*			trans	-55.8	142.2	170.6	26.2	-35.7	0	0	0	109.6	L577	P575-L577 VanDerWaalsContact C-N 3.27Å; P575-L577 PolarHBondContact O-N 3.22Å
576	P	69.5	Low	58.9	Low	66 Å²	66	106.9 Å²	106.9	43%	0.429	57%	0.565	S	S	.	*	S	Bend	trans	-69.8	-22.7	-167	27.8	-35.7	0	0	0	113.5	I592 M596 D625	P576-I592 HydrophobicContact CB-CG2 3.99Å; P576-I592 HydrophobicContact CG-CG2 4.07Å; P576-M596 HydrophobicContact CG-CG 4.44Å; P576-M596 HydrophobicContact CG-SD 3.69Å; P576-D625 WeakPolarHBondContact CD-OD2 3.26Å
577	L	80.6	Confident	61.2	Low	15 Å²	15	102.2 Å²	102.2	8%	0.079	55%	0.551	C	S	.	*			trans	-151.7	145.6	173.4	-174.9	61.5	0	0	0	109.8	P575 D581 F582 H589 I592 F629	P575-L577 VanDerWaalsContact C-N 3.27Å; P575-L577 PolarHBondContact O-N 3.22Å; L577-D581 HydrophobicContact CD1-CB 4.45Å; L577-F582 HydrophobicContact CD2-CD2 4.1Å; L577-H589 HydrophobicContact CD2-CB 3.81Å; L577-I592 HydrophobicContact CB-CG2 3.84Å; L577-I592 HydrophobicContact CD2-CG2 4.43Å; L577-F629 HydrophobicContact CD2-CE2 4.06Å; L577-F629 HydrophobicContact CG-CD2 4.46Å; L577-F629 HydrophobicContact CG-CE2 4.06Å
578	R	82.3	Confident	63.6	Low	85 Å²	85	99.6 Å²	99.6	32%	0.321	54%	0.539	S	S	.	.			trans	-107.4	153.3	173.1	-59.3	-69.1	-65.5	-82.4	7.8	109.9	R580 D581 F582 E632	R578-R580 VanDerWaalsContact C-N 3.3Å; R578-R580 HydrophobicContact CB-CG 4.05Å; R578-R580 PolarHBondContact O-N 3Å; R578-D581 HydrophobicContact CB-CB 4.44Å; R578-D581 WeakPolarHBondContact CB-OD2 3.4Å; R578-D581 PolarHBondContact O-N 3.26Å; R578-D581 VanDerWaalsContact O-N 3.15Å; R578-F582 PolarHBondContact O-N 2.71Å; R578-E632 IonicContact CZ-OE1 3.16Å; R578-E632 IonicContact CZ-OE2 2.79Å; R578-E632 VanDerWaalsContact NE-CD 3.31Å; R578-E632 IonicContact NE-OE1 2.83Å; R578-E632 PolarHBondContact NE-OE1 2.91Å; R578-E632 IonicContact NE-OE2 3.56Å; R578-E632 PolarHBondContact NE-OE2 2.87Å; R578-E632 IonicContact NH2-OE1 3.68Å; R578-E632 PolarHBondContact NH2-OE1 2.88Å; R578-E632 IonicContact NH2-OE2 2.9Å
579	A	80.9	Confident	66.3	Low	6 Å²	6	95.5 Å²	95.5	5%	0.05	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-61.3	-38.7	177.8	0	0	0	0	0	112.7	D581 F582 F629 E632 M633 L636	A579-D581 PolarHBondContact O-N 2.84Å; A579-F582 VanDerWaalsContact O-CB 3.29Å; A579-F582 WeakPolarHBondContact O-CB 3.36Å; A579-F582 PolarHBondContact O-N 2.84Å; A579-F629 HydrophobicContact CB-CE2 4.36Å; A579-E632 HydrophobicContact CB-CB 3.38Å; A579-E632 PolarHBondContact N-OE2 2.95Å; A579-M633 HydrophobicContact CB-CB 4.39Å; A579-M633 HydrophobicContact CB-CG 3.68Å; A579-M633 HydrophobicContact CB-SD 3.64Å; A579-L636 HydrophobicContact CB-CD1 3.78Å
580	R	75.4	Confident	68.7	Low	169 Å²	169	89.2 Å²	89.2	64%	0.638	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-62.9	-25.8	177.7	72.7	178.6	63.2	-152.8	-7.1	114.2	R578 L636	R578-R580 VanDerWaalsContact C-N 3.3Å; R578-R580 HydrophobicContact CB-CG 4.05Å; R578-R580 PolarHBondContact O-N 3Å; R580-L636 HydrophobicContact CB-CD1 4.27Å
581	D	78	Confident	71.2	Confident	92 Å²	92	83.1 Å²	83.1	49%	0.492	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-100.8	1.8	-176.6	-57.2	-51.7	0	0	0	110.8	L577 R578 A579 H589	L577-D581 HydrophobicContact CD1-CB 4.45Å; R578-D581 HydrophobicContact CB-CB 4.44Å; R578-D581 WeakPolarHBondContact CB-OD2 3.4Å; R578-D581 PolarHBondContact O-N 3.26Å; R578-D581 VanDerWaalsContact O-N 3.15Å; A579-D581 PolarHBondContact O-N 2.84Å; D581-H589 PolarHBondContact O-CE1 2.94Å
582	F	83.9	Confident	73.6	Confident	34 Å²	34	79.5 Å²	79.5	15%	0.149	44%	0.435	C	S	.	.			trans	-71.4	145.3	-179.4	179	-125.8	0	0	0	112.2	L577 R578 A579 A584 H589 L590 L593 L600 F629 M633	L577-F582 HydrophobicContact CD2-CD2 4.1Å; R578-F582 PolarHBondContact O-N 2.71Å; A579-F582 VanDerWaalsContact O-CB 3.29Å; A579-F582 WeakPolarHBondContact O-CB 3.36Å; A579-F582 PolarHBondContact O-N 2.84Å; F582-A584 HydrophobicContact CE1-CB 4.04Å; F582-A584 HydrophobicContact CZ-CB 3.92Å; F582-H589 HydrophobicContact CD2-CB 3.98Å; F582-H589 HydrophobicContact CE2-CB 4.04Å; F582-L590 HydrophobicContact CE2-CD2 4.36Å; F582-L590 HydrophobicContact CZ-CD2 4.34Å; F582-L593 HydrophobicContact CD2-CD1 3.98Å; F582-L593 HydrophobicContact CE1-CD1 4.42Å; F582-L593 HydrophobicContact CE2-CD1 3.32Å; F582-L593 HydrophobicContact CE2-CG 4.35Å; F582-L593 HydrophobicContact CZ-CD1 3.57Å; F582-L600 HydrophobicContact CE1-CD1 4.38Å; F582-L600 HydrophobicContact CZ-CD1 3.77Å; F582-F629 HydrophobicContact CB-CE2 3.91Å; F582-F629 HydrophobicContact CB-CZ 3.7Å; F582-F629 AromaticContact CD1-CZ 4Å; F582-F629 HydrophobicContact CD1-CZ 4Å; F582-F629 HydrophobicContact CD2-CZ 4.05Å; F582-F629 HydrophobicContact CG-CE2 4.24Å; F582-F629 AromaticContact CG-CZ 3.63Å; F582-F629 HydrophobicContact CG-CZ 3.63Å; F582-M633 HydrophobicContact CD1-SD 4.33Å
583	M	76.8	Confident	75.9	Confident	108 Å²	108	76.3 Å²	76.3	53%	0.532	40%	0.402	S	S	.	.			trans	-142.1	113.4	173.8	-62.5	-175.6	74.5	0	0	107.9	T585 N586 H589	M583-T585 PolarHBondContact O-N 3.02Å; M583-N586 HydrophobicContact CB-CB 4.08Å; M583-N586 PolarHBondContact O-N 2.86Å; M583-H589 PolarHBondContact N-ND1 3.09Å
584	A	73.4	Confident	78.1	Confident	40 Å²	40	79.2 Å²	79.2	33%	0.331	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.9	-179.3	0	0	0	0	0	113.8	F582 L600	F582-A584 HydrophobicContact CE1-CB 4.04Å; F582-A584 HydrophobicContact CZ-CB 3.92Å; A584-L600 HydrophobicContact CB-CD1 4.24Å
585	T	74.9	Confident	79.7	Confident	123 Å²	123	75.1 Å²	75.1	76%	0.755	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-8.8	176.2	51.7	0	0	0	0	114.4	M583 P587	M583-T585 PolarHBondContact O-N 3.02Å; T585-P587 WeakPolarHBondContact O-CD 3.33Å
586	N	83.1	Confident	81.3	Confident	39 Å²	39	73.2 Å²	73.2	21%	0.209	37%	0.365	C	S	.	.			trans	-89	114.3	178.8	-177.7	0.4	0	0	0	110.7	M583 E588 H589 L590	M583-N586 HydrophobicContact CB-CB 4.08Å; M583-N586 PolarHBondContact O-N 2.86Å; N586-E588 VanDerWaalsContact C-N 3.27Å; N586-E588 PolarHBondContact O-N 3.43Å; N586-E588 PolarHBondContact OD1-N 3.26Å; N586-E588 VanDerWaalsContact OD1-N 3.07Å; N586-H589 HydrophobicContact CB-CB 4.09Å; N586-H589 PolarHBondContact ND2-CD2 3.45Å; N586-H589 PolarHBondContact ND2-CE1 3.49Å; N586-H589 PolarHBondContact ND2-NE2 2.99Å; N586-H589 VanDerWaalsContact ND2-NE2 3.12Å; N586-H589 PolarHBondContact O-N 2.95Å; N586-H589 VanDerWaalsContact O-N 3.13Å; N586-L590 PolarHBondContact O-N 3.23Å
587	P	79.6	Confident	82.1	Confident	92 Å²	92	70.2 Å²	70.2	60%	0.597	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-32.2	-179.7	25.3	-35	0	0	0	113.6	T585 H589 L590 E591	T585-P587 WeakPolarHBondContact O-CD 3.33Å; P587-H589 VanDerWaalsContact C-N 3.34Å; P587-H589 PolarHBondContact O-N 3.2Å; P587-L590 PolarHBondContact O-N 3.38Å; P587-E591 PolarHBondContact O-N 3.21Å
588	E	77.9	Confident	82.4	Confident	138 Å²	138	69.7 Å²	69.7	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-66.3	-38.7	177.7	-61.7	-175.1	160.9	0	0	111.4	N586 L590 E591 I592	N586-E588 VanDerWaalsContact C-N 3.27Å; N586-E588 PolarHBondContact O-N 3.43Å; N586-E588 PolarHBondContact OD1-N 3.26Å; N586-E588 VanDerWaalsContact OD1-N 3.07Å; E588-L590 VanDerWaalsContact C-N 3.33Å; E588-L590 PolarHBondContact O-N 2.89Å; E588-E591 PolarHBondContact O-N 2.93Å; E588-I592 VanDerWaalsContact O-CG1 3.31Å; E588-I592 WeakPolarHBondContact O-CG1 3.46Å; E588-I592 PolarHBondContact O-N 2.59Å
589	H	85.6	Confident	82.5	Confident	31 Å²	31	67.3 Å²	67.3	14%	0.144	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-36	175.7	-65.9	179.9	0	0	0	111.5	L577 D581 F582 M583 N586 P587 I592 L593	L577-H589 HydrophobicContact CD2-CB 3.81Å; D581-H589 PolarHBondContact O-CE1 2.94Å; F582-H589 HydrophobicContact CD2-CB 3.98Å; F582-H589 HydrophobicContact CE2-CB 4.04Å; M583-H589 PolarHBondContact N-ND1 3.09Å; N586-H589 HydrophobicContact CB-CB 4.09Å; N586-H589 PolarHBondContact ND2-CD2 3.45Å; N586-H589 PolarHBondContact ND2-CE1 3.49Å; N586-H589 PolarHBondContact ND2-NE2 2.99Å; N586-H589 VanDerWaalsContact ND2-NE2 3.12Å; N586-H589 PolarHBondContact O-N 2.95Å; N586-H589 VanDerWaalsContact O-N 3.13Å; P587-H589 VanDerWaalsContact C-N 3.34Å; P587-H589 PolarHBondContact O-N 3.2Å; H589-I592 PolarHBondContact O-N 2.95Å; H589-L593 WeakPolarHBondContact O-CG 3.33Å; H589-L593 PolarHBondContact O-N 3.43Å
590	L	85	Confident	82.5	Confident	65 Å²	65	68.9 Å²	68.9	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-67.6	-37.1	174.9	-59.9	178.3	0	0	0	112.3	F582 N586 P587 E588 K594 L600	F582-L590 HydrophobicContact CE2-CD2 4.36Å; F582-L590 HydrophobicContact CZ-CD2 4.34Å; N586-L590 PolarHBondContact O-N 3.23Å; P587-L590 PolarHBondContact O-N 3.38Å; E588-L590 VanDerWaalsContact C-N 3.33Å; E588-L590 PolarHBondContact O-N 2.89Å; L590-K594 WeakPolarHBondContact O-CB 3.5Å; L590-K594 PolarHBondContact O-N 2.93Å; L590-L600 HydrophobicContact CD2-CD1 3.66Å
591	E	83.4	Confident	82.8	Confident	121 Å²	121	64.5 Å²	64.5	57%	0.565	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-39.2	172	-76.1	-153.9	173.7	0	0	113	P587 E588 K594 K595	P587-E591 PolarHBondContact O-N 3.21Å; E588-E591 PolarHBondContact O-N 2.93Å; E591-K594 PolarHBondContact O-N 3.26Å; E591-K595 WeakPolarHBondContact O-CG 3.12Å; E591-K595 PolarHBondContact O-N 2.84Å; E591-K595 IonicContact OE2-NZ 2.7Å
592	I	86.5	Confident	82.8	Confident	42 Å²	42	66.7 Å²	66.7	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-46.7	176.7	-66.4	162.9	0	0	0	110.1	P576 L577 E588 H589 K594 K595 M596	P576-I592 HydrophobicContact CB-CG2 3.99Å; P576-I592 HydrophobicContact CG-CG2 4.07Å; L577-I592 HydrophobicContact CB-CG2 3.84Å; L577-I592 HydrophobicContact CD2-CG2 4.43Å; E588-I592 VanDerWaalsContact O-CG1 3.31Å; E588-I592 WeakPolarHBondContact O-CG1 3.46Å; E588-I592 PolarHBondContact O-N 2.59Å; H589-I592 PolarHBondContact O-N 2.95Å; I592-K594 VanDerWaalsContact C-N 3.32Å; I592-K594 PolarHBondContact O-N 3.08Å; I592-K595 PolarHBondContact O-N 2.86Å; I592-K595 VanDerWaalsContact O-N 3.16Å; I592-M596 HydrophobicContact CG2-CE 4.09Å; I592-M596 HydrophobicContact CG2-SD 4.26Å; I592-M596 WeakPolarHBondContact O-CG 3.44Å; I592-M596 PolarHBondContact O-N 2.86Å
593	L	86.3	Confident	82.4	Confident	3 Å²	3	68 Å²	68	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-56.6	-45.5	174.5	-74.1	176.7	0	0	0	112.2	F582 H589 K595 M596 G597 V598 L610 F629	F582-L593 HydrophobicContact CD2-CD1 3.98Å; F582-L593 HydrophobicContact CE1-CD1 4.42Å; F582-L593 HydrophobicContact CE2-CD1 3.32Å; F582-L593 HydrophobicContact CE2-CG 4.35Å; F582-L593 HydrophobicContact CZ-CD1 3.57Å; H589-L593 WeakPolarHBondContact O-CG 3.33Å; H589-L593 PolarHBondContact O-N 3.43Å; L593-K595 VanDerWaalsContact C-N 3.31Å; L593-K595 PolarHBondContact O-N 3.41Å; L593-M596 HydrophobicContact CD2-CE 3.75Å; L593-M596 CarbonylContact O-C 3.21Å; L593-M596 WeakPolarHBondContact O-CA 3.42Å; L593-M596 PolarHBondContact O-N 2.9Å; L593-G597 PolarHBondContact O-N 2.89Å; L593-V598 CarbonylContact C-O 3.56Å; L593-V598 HydrophobicContact CB-CB 4.15Å; L593-V598 HydrophobicContact CD2-CB 3.9Å; L593-V598 HydrophobicContact CD2-CG1 3.97Å; L593-V598 HydrophobicContact CD2-CG2 4.37Å; L593-V598 PolarHBondContact O-N 3.31Å; L593-V598 VanDerWaalsContact O-O 3.14Å; L593-L610 HydrophobicContact CD1-CD2 4.26Å; L593-F629 HydrophobicContact CD1-CE1 4.43Å; L593-F629 HydrophobicContact CD1-CZ 4.43Å; L593-F629 HydrophobicContact CD2-CD1 3.48Å; L593-F629 VanDerWaalsContact CD2-CD1 3.48Å; L593-F629 HydrophobicContact CD2-CD2 4.09Å; L593-F629 HydrophobicContact CD2-CE1 3.36Å; L593-F629 HydrophobicContact CD2-CE2 3.96Å; L593-F629 HydrophobicContact CD2-CG 3.87Å; L593-F629 HydrophobicContact CD2-CZ 3.63Å
594	K	86.9	Confident	82	Confident	162 Å²	162	73.8 Å²	73.8	70%	0.704	37%	0.374	S	S	*	.	H	α-helix	trans	-62.1	-36.8	178.2	-171	175.3	-179.5	179.7	0	112.6	L590 E591 I592 M596 G597 V598	L590-K594 WeakPolarHBondContact O-CB 3.5Å; L590-K594 PolarHBondContact O-N 2.93Å; E591-K594 PolarHBondContact O-N 3.26Å; I592-K594 VanDerWaalsContact C-N 3.32Å; I592-K594 PolarHBondContact O-N 3.08Å; K594-M596 VanDerWaalsContact C-N 3.34Å; K594-G597 PolarHBondContact O-N 2.86Å; K594-V598 PolarHBondContact N-O 2.99Å
595	K	87.2	Confident	81.5	Confident	106 Å²	106	76.2 Å²	76.2	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-66.9	-34.9	172.4	-72.4	166.1	-173.4	158.1	0	112	E591 I592 L593 G597 A617 A618 D622	E591-K595 WeakPolarHBondContact O-CG 3.12Å; E591-K595 PolarHBondContact O-N 2.84Å; E591-K595 IonicContact OE2-NZ 2.7Å; I592-K595 PolarHBondContact O-N 2.86Å; I592-K595 VanDerWaalsContact O-N 3.16Å; L593-K595 VanDerWaalsContact C-N 3.31Å; L593-K595 PolarHBondContact O-N 3.41Å; K595-G597 PolarHBondContact O-N 2.93Å; K595-A617 CarbonylContact O-C 3.52Å; K595-A617 VanDerWaalsContact O-CA 3.29Å; K595-A617 WeakPolarHBondContact O-CA 3.22Å; K595-A618 HydrophobicContact CB-CB 4.34Å; K595-A618 PolarHBondContact O-N 3.33Å; K595-D622 WeakPolarHBondContact O-CB 3.37Å
596	M	89.4	Confident	80.7	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	8	174.1	-62.7	-171.1	-49.6	0	0	114.4	P576 I592 L593 K594 V598 D622 D625 F629	P576-M596 HydrophobicContact CG-CG 4.44Å; P576-M596 HydrophobicContact CG-SD 3.69Å; I592-M596 HydrophobicContact CG2-CE 4.09Å; I592-M596 HydrophobicContact CG2-SD 4.26Å; I592-M596 WeakPolarHBondContact O-CG 3.44Å; I592-M596 PolarHBondContact O-N 2.86Å; L593-M596 HydrophobicContact CD2-CE 3.75Å; L593-M596 CarbonylContact O-C 3.21Å; L593-M596 WeakPolarHBondContact O-CA 3.42Å; L593-M596 PolarHBondContact O-N 2.9Å; K594-M596 VanDerWaalsContact C-N 3.34Å; M596-V598 PolarHBondContact O-N 2.89Å; M596-D622 VanDerWaalsContact CA-O 3.24Å; M596-D622 WeakPolarHBondContact CA-O 3.31Å; M596-D622 VanDerWaalsContact CB-O 3.3Å; M596-D622 WeakPolarHBondContact CB-O 3.42Å; M596-D622 HydrophobicContact CG-CB 4.47Å; M596-D625 HydrophobicContact SD-CB 3.86Å; M596-F629 HydrophobicContact CE-CB 4.02Å; M596-F629 HydrophobicContact CE-CD2 4.18Å; M596-F629 HydrophobicContact CE-CG 4.1Å
597	G	86.3	Confident	80	Confident	3 Å²	3	79.6 Å²	79.6	3%	0.031	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	16.3	-178	0	0	0	0	0	114	L593 K594 K595 H613	L593-G597 PolarHBondContact O-N 2.89Å; K594-G597 PolarHBondContact O-N 2.86Å; K595-G597 PolarHBondContact O-N 2.93Å; G597-H613 PolarHBondContact O-N 2.68Å
598	V	88.4	Confident	79.8	Confident	4 Å²	4	78.3 Å²	78.3	2%	0.024	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.6	174.7	-176.6	0	0	0	0	109	L593 K594 M596 L610 Q612 M630	L593-V598 CarbonylContact C-O 3.56Å; L593-V598 HydrophobicContact CB-CB 4.15Å; L593-V598 HydrophobicContact CD2-CB 3.9Å; L593-V598 HydrophobicContact CD2-CG1 3.97Å; L593-V598 HydrophobicContact CD2-CG2 4.37Å; L593-V598 PolarHBondContact O-N 3.31Å; L593-V598 VanDerWaalsContact O-O 3.14Å; K594-V598 PolarHBondContact N-O 2.99Å; M596-V598 PolarHBondContact O-N 2.89Å; V598-L610 HydrophobicContact CG1-CB 4.3Å; V598-L610 HydrophobicContact CG1-CD2 4.13Å; V598-Q612 HydrophobicContact CG2-CB 4.44Å; V598-Q612 HydrophobicContact CG2-CG 3.95Å; V598-M630 HydrophobicContact CG1-CG 4.48Å; V598-M630 HydrophobicContact CG1-SD 3.84Å; V598-M630 HydrophobicContact CG2-CG 4.13Å
599	S	83.5	Confident	79.8	Confident	35 Å²	35	76.2 Å²	76.2	25%	0.245	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	154.7	175.5	69.1	0	0	0	0	111.1	L610 V611	S599-L610 WeakPolarHBondContact O-CA 3.35Å; S599-V611 PolarHBondContact N-O 2.84Å; S599-V611 PolarHBondContact O-N 3.31Å; S599-V611 PolarHBondContact OG-O 3.16Å
600	L	82.1	Confident	79.7	Confident	39 Å²	39	76.1 Å²	76.1	20%	0.204	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115.5	-176.7	-170.8	157.7	0	0	0	109.7	F582 A584 L590 H602 V608 L610	F582-L600 HydrophobicContact CE1-CD1 4.38Å; F582-L600 HydrophobicContact CZ-CD1 3.77Å; A584-L600 HydrophobicContact CB-CD1 4.24Å; L590-L600 HydrophobicContact CD2-CD1 3.66Å; L600-H602 WeakPolarHBondContact CD2-CE1 3.26Å; L600-V608 HydrophobicContact CD1-CG1 3.83Å; L600-V608 HydrophobicContact CD2-CG1 3.53Å; L600-V608 HydrophobicContact CG-CG1 3.49Å; L600-V608 VanDerWaalsContact CG-CG1 3.49Å; L600-L610 HydrophobicContact CB-CD2 4.01Å; L600-L610 HydrophobicContact CD1-CD2 3.9Å; L600-L610 HydrophobicContact CG-CD2 3.93Å
601	I	81.1	Confident	79.6	Confident	77 Å²	77	74.8 Å²	74.8	40%	0.395	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.6	-176.9	-55.7	177.9	0	0	0	108.3	Q609 V611	I601-Q609 HydrophobicContact CB-CB 4.42Å; I601-Q609 PolarHBondContact N-O 2.61Å; I601-Q609 PolarHBondContact O-N 2.99Å; I601-V611 HydrophobicContact CD1-CB 4.48Å; I601-V611 HydrophobicContact CD1-CG2 3.78Å
602	H	77.3	Confident	79.6	Confident	137 Å²	137	71 Å²	71	63%	0.634	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.8	172.1	-66.3	84.7	0	0	0	109.2	L600	L600-H602 WeakPolarHBondContact CD2-CE1 3.26Å
603	L	75.6	Confident	79.5	Confident	63 Å²	63	72.8 Å²	72.8	33%	0.33	36%	0.363	S	S	.	.			trans	-86.7	155.9	176.4	-65	172	0	0	0	110.4	D605 G606 R607 Q609	L603-D605 WeakPolarHBondContact CB-OD1 3.37Å; L603-D605 PolarHBondContact O-N 2.73Å; L603-D605 VanDerWaalsContact O-N 3.11Å; L603-G606 PolarHBondContact O-N 3.21Å; L603-R607 HydrophobicContact CB-CB 4.4Å; L603-R607 WeakPolarHBondContact CB-O 3.31Å; L603-R607 HydrophobicContact CD1-CB 4.09Å; L603-R607 PolarHBondContact N-O 3.06Å; L603-Q609 HydrophobicContact CD1-CB 4.3Å; L603-Q609 HydrophobicContact CG-CB 4.49Å
604	K	68.6	Low	79.1	Confident	229 Å²	229	75 Å²	75	100%	0.996	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.2	-175.8	-65.9	-177.9	-178.9	175.9	0	114.1
605	D	63.7	Low	78.8	Confident	90 Å²	90	75.6 Å²	75.6	48%	0.481	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4.6	177.7	57	17.4	0	0	0	113.2	L603 R607	L603-D605 WeakPolarHBondContact CB-OD1 3.37Å; L603-D605 PolarHBondContact O-N 2.73Å; L603-D605 VanDerWaalsContact O-N 3.11Å; D605-R607 VanDerWaalsContact C-N 3.32Å; D605-R607 VanDerWaalsContact OD1-CB 3.26Å; D605-R607 WeakPolarHBondContact OD1-CB 3.4Å; D605-R607 WeakPolarHBondContact OD1-CG 3.38Å; D605-R607 PolarHBondContact OD1-N 2.76Å; D605-R607 IonicContact OD1-NE 3.56Å; D605-R607 IonicContact OD2-CZ 3.53Å; D605-R607 IonicContact OD2-NE 3.41Å; D605-R607 PolarHBondContact OD2-NE 2.76Å; D605-R607 IonicContact OD2-NH2 2.82Å; D605-R607 PolarHBondContact OD2-NH2 3.35Å
606	G	58	Low	78.6	Confident	69 Å²	69	76.6 Å²	76.6	71%	0.711	40%	0.397	S	S	*	.	S	Bend	trans	83.5	-1.2	-177.6	0	0	0	0	0	114.7	L603	L603-G606 PolarHBondContact O-N 3.21Å
607	R	68.9	Low	78.4	Confident	165 Å²	165	77.5 Å²	77.5	62%	0.623	41%	0.405	S	S	*	.			trans	-74	157	171.6	-64.4	-174.7	-69.4	176.9	-5.4	111.1	L603 D605	L603-R607 HydrophobicContact CB-CB 4.4Å; L603-R607 WeakPolarHBondContact CB-O 3.31Å; L603-R607 HydrophobicContact CD1-CB 4.09Å; L603-R607 PolarHBondContact N-O 3.06Å; D605-R607 VanDerWaalsContact C-N 3.32Å; D605-R607 VanDerWaalsContact OD1-CB 3.26Å; D605-R607 WeakPolarHBondContact OD1-CB 3.4Å; D605-R607 WeakPolarHBondContact OD1-CG 3.38Å; D605-R607 PolarHBondContact OD1-N 2.76Å; D605-R607 IonicContact OD1-NE 3.56Å; D605-R607 IonicContact OD2-CZ 3.53Å; D605-R607 IonicContact OD2-NE 3.41Å; D605-R607 PolarHBondContact OD2-NE 2.76Å; D605-R607 IonicContact OD2-NH2 2.82Å; D605-R607 PolarHBondContact OD2-NH2 3.35Å
608	V	74.4	Confident	78.3	Confident	64 Å²	64	81 Å²	81	39%	0.388	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.4	178.8	173.4	0	0	0	0	109.1	L600	L600-V608 HydrophobicContact CD1-CG1 3.83Å; L600-V608 HydrophobicContact CD2-CG1 3.53Å; L600-V608 HydrophobicContact CG-CG1 3.49Å; L600-V608 VanDerWaalsContact CG-CG1 3.49Å
609	Q	78.6	Confident	78.1	Confident	95 Å²	95	83 Å²	83	44%	0.444	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.8	175.8	-174.2	177.8	12	0	0	109.6	I601 L603 V611	I601-Q609 HydrophobicContact CB-CB 4.42Å; I601-Q609 PolarHBondContact N-O 2.61Å; I601-Q609 PolarHBondContact O-N 2.99Å; L603-Q609 HydrophobicContact CD1-CB 4.3Å; L603-Q609 HydrophobicContact CG-CB 4.49Å; Q609-V611 HydrophobicContact CG-CG2 4.07Å
610	L	83.6	Confident	77.7	Confident	29 Å²	29	85.5 Å²	85.5	15%	0.152	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.9	172.1	-65.1	167.1	0	0	0	109.2	L593 V598 S599 L600 F629 M630 M633	L593-L610 HydrophobicContact CD1-CD2 4.26Å; V598-L610 HydrophobicContact CG1-CB 4.3Å; V598-L610 HydrophobicContact CG1-CD2 4.13Å; S599-L610 WeakPolarHBondContact O-CA 3.35Å; L600-L610 HydrophobicContact CB-CD2 4.01Å; L600-L610 HydrophobicContact CD1-CD2 3.9Å; L600-L610 HydrophobicContact CG-CD2 3.93Å; L610-F629 HydrophobicContact CD1-CE1 4.04Å; L610-M630 HydrophobicContact CB-CE 3.83Å; L610-M630 HydrophobicContact CB-SD 3.57Å; L610-M630 VanDerWaalsContact CB-SD 3.57Å; L610-M630 HydrophobicContact CD1-SD 4.26Å; L610-M630 WeakPolarHBondContact O-CE 3.27Å; L610-M633 HydrophobicContact CD1-CE 3.98Å; L610-M633 HydrophobicContact CD1-CG 3.97Å; L610-M633 HydrophobicContact CD1-SD 4.45Å
611	V	82.6	Confident	77.5	Confident	36 Å²	36	89 Å²	89	22%	0.218	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	123.6	-179.7	-176.7	0	0	0	0	109.7	S599 I601 Q609	S599-V611 PolarHBondContact N-O 2.84Å; S599-V611 PolarHBondContact O-N 3.31Å; S599-V611 PolarHBondContact OG-O 3.16Å; I601-V611 HydrophobicContact CD1-CB 4.48Å; I601-V611 HydrophobicContact CD1-CG2 3.78Å; Q609-V611 HydrophobicContact CG-CG2 4.07Å
612	Q	83.4	Confident	77.5	Confident	41 Å²	41	87.4 Å²	87.4	19%	0.192	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.3	-179.5	-159.5	-85.8	3.5	0	0	111.2	V598 A623 L627 M630	V598-Q612 HydrophobicContact CG2-CB 4.44Å; V598-Q612 HydrophobicContact CG2-CG 3.95Å; Q612-A623 PolarHBondContact NE2-O 3.4Å; Q612-L627 HydrophobicContact CG-CD2 4.21Å; Q612-M630 HydrophobicContact CB-CG 4.09Å; Q612-M630 HydrophobicContact CG-CG 4.43Å
613	H	83.4	Confident	77.6	Confident	80 Å²	80	81.4 Å²	81.4	37%	0.37	45%	0.449	S	S	.	.			trans	-134.4	90.9	174	-63.4	-42.4	0	0	0	108.5	G597 I615 Q616	G597-H613 PolarHBondContact O-N 2.68Å; H613-I615 PolarHBondContact O-N 3.35Å; H613-Q616 HydrophobicContact CB-CB 4.1Å; H613-Q616 HydrophobicContact CB-CG 3.8Å; H613-Q616 WeakPolarHBondContact O-CA 3.47Å; H613-Q616 WeakPolarHBondContact O-CB 3.17Å; H613-Q616 PolarHBondContact O-N 3.14Å
614	A	78.3	Confident	77.7	Confident	50 Å²	50	84.8 Å²	84.8	41%	0.413	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-51.8	-32.2	-176.9	0	0	0	0	0	114.3	Q616 A617 A623	A614-Q616 PolarHBondContact O-N 2.88Å; A614-A617 WeakPolarHBondContact O-CB 3.35Å; A614-A617 PolarHBondContact O-N 2.77Å; A614-A623 HydrophobicContact CB-CB 4.21Å
615	I	81.3	Confident	78.4	Confident	175 Å²	175	75.3 Å²	75.3	90%	0.897	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-68.1	-20.2	177.3	-60.9	158.9	0	0	0	112.5	H613	H613-I615 PolarHBondContact O-N 3.35Å
616	Q	82.3	Confident	79.4	Confident	127 Å²	127	71 Å²	71	59%	0.593	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-94.4	-1	179.1	-59.4	-178.9	5.3	0	0	113.3	H613 A614	H613-Q616 HydrophobicContact CB-CB 4.1Å; H613-Q616 HydrophobicContact CB-CG 3.8Å; H613-Q616 WeakPolarHBondContact O-CA 3.47Å; H613-Q616 WeakPolarHBondContact O-CB 3.17Å; H613-Q616 PolarHBondContact O-N 3.14Å; A614-Q616 PolarHBondContact O-N 2.88Å
617	A	86.3	Confident	80.4	Confident	20 Å²	20	72.3 Å²	72.3	17%	0.165	39%	0.391	C	S	.	.	S	Bend	trans	-73.6	156.2	175.9	0	0	0	0	0	112.2	K595 A614 S619 D622 A623	K595-A617 CarbonylContact O-C 3.52Å; K595-A617 VanDerWaalsContact O-CA 3.29Å; K595-A617 WeakPolarHBondContact O-CA 3.22Å; A614-A617 WeakPolarHBondContact O-CB 3.35Å; A614-A617 PolarHBondContact O-N 2.77Å; A617-S619 VanDerWaalsContact C-N 3.34Å; A617-D622 HydrophobicContact CB-CB 4.36Å; A617-A623 HydrophobicContact CB-CB 3.7Å
618	A	83.7	Confident	80.9	Confident	75 Å²	75	70.7 Å²	70.7	62%	0.62	39%	0.385	S	S	*	.	S	Bend	trans	-73.2	-25.1	-178.5	0	0	0	0	0	113.4	K595	K595-A618 HydrophobicContact CB-CB 4.34Å; K595-A618 PolarHBondContact O-N 3.33Å
619	S	83.4	Confident	81.5	Confident	47 Å²	47	67.7 Å²	67.7	33%	0.329	37%	0.367	S	S	.	.	S	Bend	trans	-154.4	172.7	171.4	77.5	0	0	0	0	110.8	A617 I621 D622 A623	A617-S619 VanDerWaalsContact C-N 3.34Å; S619-I621 PolarHBondContact O-N 3.09Å; S619-I621 PolarHBondContact OG-N 3.38Å; S619-D622 VanDerWaalsContact CB-OD2 3.27Å; S619-D622 WeakPolarHBondContact CB-OD2 3.48Å; S619-D622 PolarHBondContact N-OD2 3.19Å; S619-D622 PolarHBondContact O-N 2.92Å; S619-D622 PolarHBondContact OG-N 2.7Å; S619-D622 PolarHBondContact OG-OD2 3.21Å; S619-A623 PolarHBondContact O-N 3.08Å
620	S	75.1	Confident	81.7	Confident	87 Å²	87	64.8 Å²	64.8	61%	0.608	35%	0.353	S	S	*	.	H	α-helix	trans	-62.2	-32.4	172.3	56.4	0	0	0	0	112.8	A623 E624	S620-A623 WeakPolarHBondContact O-CB 3.44Å; S620-A623 PolarHBondContact O-N 3.12Å; S620-E624 WeakPolarHBondContact O-CG 3.49Å; S620-E624 PolarHBondContact O-N 3.33Å
621	I	78.8	Confident	81.4	Confident	112 Å²	112	69.2 Å²	69.2	57%	0.574	37%	0.373	S	S	*	.	H	α-helix	trans	-71.1	-42.3	178.3	-57	175.4	0	0	0	109.8	S619 A623 E624 D625	S619-I621 PolarHBondContact O-N 3.09Å; S619-I621 PolarHBondContact OG-N 3.38Å; I621-A623 VanDerWaalsContact C-N 3.27Å; I621-A623 PolarHBondContact O-N 3.01Å; I621-E624 PolarHBondContact O-N 3.35Å; I621-D625 PolarHBondContact O-N 3.47Å
622	D	81	Confident	81.1	Confident	45 Å²	45	69.2 Å²	69.2	24%	0.241	37%	0.371	C	S	.	.	H	α-helix	trans	-63.7	-34.3	174.3	-59.7	-78.6	0	0	0	111.3	K595 M596 A617 S619 G626	K595-D622 WeakPolarHBondContact O-CB 3.37Å; M596-D622 VanDerWaalsContact CA-O 3.24Å; M596-D622 WeakPolarHBondContact CA-O 3.31Å; M596-D622 VanDerWaalsContact CB-O 3.3Å; M596-D622 WeakPolarHBondContact CB-O 3.42Å; M596-D622 HydrophobicContact CG-CB 4.47Å; A617-D622 HydrophobicContact CB-CB 4.36Å; S619-D622 VanDerWaalsContact CB-OD2 3.27Å; S619-D622 WeakPolarHBondContact CB-OD2 3.48Å; S619-D622 PolarHBondContact N-OD2 3.19Å; S619-D622 PolarHBondContact O-N 2.92Å; S619-D622 PolarHBondContact OG-N 2.7Å; S619-D622 PolarHBondContact OG-OD2 3.21Å; D622-G626 PolarHBondContact O-N 3.18Å
623	A	77.9	Confident	80.8	Confident	11 Å²	11	70 Å²	70	9%	0.091	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-40.4	174.5	0	0	0	0	0	112.7	Q612 A614 A617 S619 S620 I621 G626 L627	Q612-A623 PolarHBondContact NE2-O 3.4Å; A614-A623 HydrophobicContact CB-CB 4.21Å; A617-A623 HydrophobicContact CB-CB 3.7Å; S619-A623 PolarHBondContact O-N 3.08Å; S620-A623 WeakPolarHBondContact O-CB 3.44Å; S620-A623 PolarHBondContact O-N 3.12Å; I621-A623 VanDerWaalsContact C-N 3.27Å; I621-A623 PolarHBondContact O-N 3.01Å; A623-G626 PolarHBondContact O-N 3.21Å; A623-L627 WeakPolarHBondContact O-CG 3.41Å; A623-L627 PolarHBondContact O-N 2.96Å
624	E	78.8	Confident	80.4	Confident	134 Å²	134	71.6 Å²	71.6	63%	0.626	39%	0.385	S	S	*	.	H	α-helix	trans	-64.5	-47	174.7	-75.3	174.1	-155.1	0	0	111.7	S620 I621 G626 L627 R628	S620-E624 WeakPolarHBondContact O-CG 3.49Å; S620-E624 PolarHBondContact O-N 3.33Å; I621-E624 PolarHBondContact O-N 3.35Å; E624-G626 VanDerWaalsContact C-N 3.27Å; E624-G626 PolarHBondContact O-N 3.37Å; E624-L627 PolarHBondContact O-N 2.98Å; E624-R628 WeakPolarHBondContact O-CB 3.15Å; E624-R628 PolarHBondContact O-N 3.19Å
625	D	83.8	Confident	80	Confident	29 Å²	29	73.2 Å²	73.2	16%	0.155	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-29.2	175.1	-88.7	-24.2	0	0	0	112	P576 M596 I621 R628 F629	P576-D625 WeakPolarHBondContact CD-OD2 3.26Å; M596-D625 HydrophobicContact SD-CB 3.86Å; I621-D625 PolarHBondContact O-N 3.47Å; D625-R628 WeakPolarHBondContact O-CB 3.41Å; D625-R628 PolarHBondContact O-N 2.92Å; D625-R628 IonicContact OD1-NH1 2.66Å; D625-F629 WeakPolarHBondContact O-CB 3.01Å; D625-F629 PolarHBondContact O-N 3.07Å
626	G	83	Confident	79.6	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.8	-42.1	171.1	0	0	0	0	0	114.2	D622 A623 E624 R628 F629 M630	D622-G626 PolarHBondContact O-N 3.18Å; A623-G626 PolarHBondContact O-N 3.21Å; E624-G626 VanDerWaalsContact C-N 3.27Å; E624-G626 PolarHBondContact O-N 3.37Å; G626-R628 VanDerWaalsContact C-N 3.34Å; G626-F629 PolarHBondContact O-N 2.76Å; G626-M630 WeakPolarHBondContact O-CG 3.4Å; G626-M630 PolarHBondContact O-N 2.79Å; G626-M630 VanDerWaalsContact O-N 3.1Å
627	L	79.8	Confident	78.7	Confident	97 Å²	97	64.5 Å²	64.5	51%	0.508	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-42.6	171.8	-72	169.1	0	0	0	111	Q612 A623 E624 M630 Q631	Q612-L627 HydrophobicContact CG-CD2 4.21Å; A623-L627 WeakPolarHBondContact O-CG 3.41Å; A623-L627 PolarHBondContact O-N 2.96Å; E624-L627 PolarHBondContact O-N 2.98Å; L627-M630 PolarHBondContact O-N 2.9Å; L627-Q631 PolarHBondContact O-N 3.43Å
628	R	80.3	Confident	77.6	Confident	130 Å²	130	65.8 Å²	65.8	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-42.9	176.6	-166	-175.1	-151.9	149.8	10.9	112.4	E624 D625 G626 Q631 E632	E624-R628 WeakPolarHBondContact O-CB 3.15Å; E624-R628 PolarHBondContact O-N 3.19Å; D625-R628 WeakPolarHBondContact O-CB 3.41Å; D625-R628 PolarHBondContact O-N 2.92Å; D625-R628 IonicContact OD1-NH1 2.66Å; G626-R628 VanDerWaalsContact C-N 3.34Å; R628-Q631 PolarHBondContact O-N 2.63Å; R628-E632 PolarHBondContact O-N 2.95Å
629	F	86	Confident	76.3	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.009	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-46.4	175.1	179.4	-83.8	0	0	0	111.4	L577 A579 F582 L593 M596 L610 D625 G626 Q631 E632 M633	L577-F629 HydrophobicContact CD2-CE2 4.06Å; L577-F629 HydrophobicContact CG-CD2 4.46Å; L577-F629 HydrophobicContact CG-CE2 4.06Å; A579-F629 HydrophobicContact CB-CE2 4.36Å; F582-F629 HydrophobicContact CB-CE2 3.91Å; F582-F629 HydrophobicContact CB-CZ 3.7Å; F582-F629 AromaticContact CD1-CZ 4Å; F582-F629 HydrophobicContact CD1-CZ 4Å; F582-F629 HydrophobicContact CD2-CZ 4.05Å; F582-F629 HydrophobicContact CG-CE2 4.24Å; F582-F629 AromaticContact CG-CZ 3.63Å; F582-F629 HydrophobicContact CG-CZ 3.63Å; L593-F629 HydrophobicContact CD1-CE1 4.43Å; L593-F629 HydrophobicContact CD1-CZ 4.43Å; L593-F629 HydrophobicContact CD2-CD1 3.48Å; L593-F629 VanDerWaalsContact CD2-CD1 3.48Å; L593-F629 HydrophobicContact CD2-CD2 4.09Å; L593-F629 HydrophobicContact CD2-CE1 3.36Å; L593-F629 HydrophobicContact CD2-CE2 3.96Å; L593-F629 HydrophobicContact CD2-CG 3.87Å; L593-F629 HydrophobicContact CD2-CZ 3.63Å; M596-F629 HydrophobicContact CE-CB 4.02Å; M596-F629 HydrophobicContact CE-CD2 4.18Å; M596-F629 HydrophobicContact CE-CG 4.1Å; L610-F629 HydrophobicContact CD1-CE1 4.04Å; D625-F629 WeakPolarHBondContact O-CB 3.01Å; D625-F629 PolarHBondContact O-N 3.07Å; G626-F629 PolarHBondContact O-N 2.76Å; F629-Q631 VanDerWaalsContact C-N 3.34Å; F629-Q631 PolarHBondContact O-N 3.02Å; F629-E632 PolarHBondContact O-N 2.62Å; F629-M633 HydrophobicContact CD1-CG 4.08Å; F629-M633 HydrophobicContact CE1-CG 3.53Å; F629-M633 HydrophobicContact CE1-SD 4.23Å; F629-M633 HydrophobicContact CZ-CG 3.96Å; F629-M633 HydrophobicContact CZ-SD 4.1Å; F629-M633 WeakPolarHBondContact O-CG 3.28Å; F629-M633 PolarHBondContact O-N 2.05Å
630	M	82.9	Confident	74.9	Confident	34 Å²	34	71 Å²	71	17%	0.167	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-40.3	176.2	-71.5	-63.9	-67.3	0	0	112.3	V598 L610 Q612 G626 L627 M633 I634	V598-M630 HydrophobicContact CG1-CG 4.48Å; V598-M630 HydrophobicContact CG1-SD 3.84Å; V598-M630 HydrophobicContact CG2-CG 4.13Å; L610-M630 HydrophobicContact CB-CE 3.83Å; L610-M630 HydrophobicContact CB-SD 3.57Å; L610-M630 VanDerWaalsContact CB-SD 3.57Å; L610-M630 HydrophobicContact CD1-SD 4.26Å; L610-M630 WeakPolarHBondContact O-CE 3.27Å; Q612-M630 HydrophobicContact CB-CG 4.09Å; Q612-M630 HydrophobicContact CG-CG 4.43Å; G626-M630 WeakPolarHBondContact O-CG 3.4Å; G626-M630 PolarHBondContact O-N 2.79Å; G626-M630 VanDerWaalsContact O-N 3.1Å; L627-M630 PolarHBondContact O-N 2.9Å; M630-M633 PolarHBondContact O-N 3.22Å; M630-I634 VanDerWaalsContact O-CG1 3.32Å; M630-I634 WeakPolarHBondContact O-CG1 3.38Å; M630-I634 PolarHBondContact O-N 2.78Å
631	Q	77.2	Confident	73.7	Confident	122 Å²	122	73 Å²	73	57%	0.57	36%	0.362	S	S	*	.	H	α-helix	trans	-62.5	-43.3	176.9	-168.6	176.1	24.3	0	0	111.9	L627 R628 F629 I634 E635	L627-Q631 PolarHBondContact O-N 3.43Å; R628-Q631 PolarHBondContact O-N 2.63Å; F629-Q631 VanDerWaalsContact C-N 3.34Å; F629-Q631 PolarHBondContact O-N 3.02Å; Q631-I634 PolarHBondContact O-N 2.93Å; Q631-E635 PolarHBondContact O-N 2.89Å
632	E	77.4	Confident	72.1	Confident	35 Å²	35	75.4 Å²	75.4	16%	0.164	37%	0.368	C	S	.	.	H	α-helix	trans	-66.4	-35.9	175	-67.1	-168.2	161.7	0	0	112.7	R578 A579 R628 F629 E635 L636	R578-E632 IonicContact CZ-OE1 3.16Å; R578-E632 IonicContact CZ-OE2 2.79Å; R578-E632 VanDerWaalsContact NE-CD 3.31Å; R578-E632 IonicContact NE-OE1 2.83Å; R578-E632 PolarHBondContact NE-OE1 2.91Å; R578-E632 IonicContact NE-OE2 3.56Å; R578-E632 PolarHBondContact NE-OE2 2.87Å; R578-E632 IonicContact NH2-OE1 3.68Å; R578-E632 PolarHBondContact NH2-OE1 2.88Å; R578-E632 IonicContact NH2-OE2 2.9Å; A579-E632 HydrophobicContact CB-CB 3.38Å; A579-E632 PolarHBondContact N-OE2 2.95Å; R628-E632 PolarHBondContact O-N 2.95Å; F629-E632 PolarHBondContact O-N 2.62Å; E632-E635 PolarHBondContact O-N 3.38Å; E632-L636 WeakPolarHBondContact O-CB 3.28Å; E632-L636 VanDerWaalsContact O-CG 3.26Å; E632-L636 WeakPolarHBondContact O-CG 3.29Å; E632-L636 PolarHBondContact O-N 3.38Å
633	M	76.9	Confident	70.2	Confident	58 Å²	58	81.3 Å²	81.3	29%	0.286	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-40.5	173.8	-75.5	-64.1	-57	0	0	112	A579 F582 L610 F629 M630 S637	A579-M633 HydrophobicContact CB-CB 4.39Å; A579-M633 HydrophobicContact CB-CG 3.68Å; A579-M633 HydrophobicContact CB-SD 3.64Å; F582-M633 HydrophobicContact CD1-SD 4.33Å; L610-M633 HydrophobicContact CD1-CE 3.98Å; L610-M633 HydrophobicContact CD1-CG 3.97Å; L610-M633 HydrophobicContact CD1-SD 4.45Å; F629-M633 HydrophobicContact CD1-CG 4.08Å; F629-M633 HydrophobicContact CE1-CG 3.53Å; F629-M633 HydrophobicContact CE1-SD 4.23Å; F629-M633 HydrophobicContact CZ-CG 3.96Å; F629-M633 HydrophobicContact CZ-SD 4.1Å; F629-M633 WeakPolarHBondContact O-CG 3.28Å; F629-M633 PolarHBondContact O-N 2.05Å; M630-M633 PolarHBondContact O-N 3.22Å; M633-S637 WeakPolarHBondContact O-CB 3.32Å; M633-S637 PolarHBondContact O-N 3.38Å; M633-S637 VanDerWaalsContact O-N 3.07Å
634	I	74.4	Confident	68.5	Low	114 Å²	114	87 Å²	87	59%	0.585	42%	0.419	S	S	*	.	H	α-helix	trans	-68.1	-43.1	176.7	-67.2	163.7	0	0	0	110.7	M630 Q631 S637 S638	M630-I634 VanDerWaalsContact O-CG1 3.32Å; M630-I634 WeakPolarHBondContact O-CG1 3.38Å; M630-I634 PolarHBondContact O-N 2.78Å; Q631-I634 PolarHBondContact O-N 2.93Å; I634-S637 PolarHBondContact O-N 2.8Å; I634-S638 WeakPolarHBondContact O-CB 3.24Å; I634-S638 PolarHBondContact O-N 3.25Å
635	E	71	Confident	67	Low	83 Å²	83	87.6 Å²	87.6	39%	0.388	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-39.5	179.2	-169.4	165.2	-130.9	0	0	111.9	R395 Q631 E632 S638 Q639	R395-E635 IonicContact NH1-OE1 3.07Å; R395-E635 PolarHBondContact NH1-OE1 3.47Å; Q631-E635 PolarHBondContact O-N 2.89Å; E632-E635 PolarHBondContact O-N 3.38Å; E635-S638 PolarHBondContact O-N 3.14Å; E635-Q639 WeakPolarHBondContact O-CB 3.49Å; E635-Q639 VanDerWaalsContact O-CG 3.26Å; E635-Q639 WeakPolarHBondContact O-CG 3.28Å; E635-Q639 PolarHBondContact O-N 3.3Å
636	L	72.3	Confident	65.6	Low	60 Å²	60	90.4 Å²	90.4	31%	0.314	44%	0.436	S	S	.	.	H	α-helix	trans	-63.3	-42.1	172.8	-74	168.7	0	0	0	112.4	A579 R580 E632 Q639 Q640	A579-L636 HydrophobicContact CB-CD1 3.78Å; R580-L636 HydrophobicContact CB-CD1 4.27Å; E632-L636 WeakPolarHBondContact O-CB 3.28Å; E632-L636 VanDerWaalsContact O-CG 3.26Å; E632-L636 WeakPolarHBondContact O-CG 3.29Å; E632-L636 PolarHBondContact O-N 3.38Å; L636-Q639 PolarHBondContact O-N 3.02Å; L636-Q640 PolarHBondContact O-N 3.09Å
637	S	64	Low	64.8	Low	60 Å²	60	93.8 Å²	93.8	42%	0.42	46%	0.458	S	S	.	.	H	α-helix	trans	-61.9	-45.2	175.1	-174.9	0	0	0	0	111.7	M633 I634 Q639 Q640 Q641	M633-S637 WeakPolarHBondContact O-CB 3.32Å; M633-S637 PolarHBondContact O-N 3.38Å; M633-S637 VanDerWaalsContact O-N 3.07Å; I634-S637 PolarHBondContact O-N 2.8Å; S637-Q639 PolarHBondContact O-N 2.79Å; S637-Q640 PolarHBondContact O-N 3.14Å; S637-Q641 WeakPolarHBondContact O-CG 3.36Å; S637-Q641 PolarHBondContact O-N 3.35Å
638	S	61.9	Low	65	Low	47 Å²	47	92.4 Å²	92.4	33%	0.329	46%	0.455	S	S	.	.	H	α-helix	trans	-67.9	-32.6	177.6	-170.6	0	0	0	0	113	I634 E635 Q641 K642	I634-S638 WeakPolarHBondContact O-CB 3.24Å; I634-S638 PolarHBondContact O-N 3.25Å; E635-S638 PolarHBondContact O-N 3.14Å; S638-Q641 PolarHBondContact O-N 2.93Å; S638-K642 WeakPolarHBondContact O-CG 3.34Å; S638-K642 PolarHBondContact O-N 3.14Å
639	Q	56	Low	65.5	Low	96 Å²	96	87.2 Å²	87.2	45%	0.449	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-45.7	173	-75.7	172.1	9	0	0	111.3	E635 L636 S637 Q641 K642 E643	E635-Q639 WeakPolarHBondContact O-CB 3.49Å; E635-Q639 VanDerWaalsContact O-CG 3.26Å; E635-Q639 WeakPolarHBondContact O-CG 3.28Å; E635-Q639 PolarHBondContact O-N 3.3Å; L636-Q639 PolarHBondContact O-N 3.02Å; S637-Q639 PolarHBondContact O-N 2.79Å; Q639-Q641 VanDerWaalsContact C-N 3.27Å; Q639-Q641 PolarHBondContact O-N 2.59Å; Q639-K642 PolarHBondContact O-N 2.81Å; Q639-K642 VanDerWaalsContact O-N 3.08Å; Q639-E643 PolarHBondContact O-N 2.95Å
640	Q	53.7	Low	65.7	Low	136 Å²	136	87.4 Å²	87.4	64%	0.636	44%	0.438	S	S	*	.	H	α-helix	trans	-59.5	-35.7	173.9	-74.5	-175.2	-19.7	0	0	113	L636 S637 Q644	L636-Q640 PolarHBondContact O-N 3.09Å; S637-Q640 PolarHBondContact O-N 3.14Å; Q640-Q644 WeakPolarHBondContact O-CG 3.42Å
641	Q	51.5	Low	66.3	Low	128 Å²	128	85.8 Å²	85.8	60%	0.598	43%	0.43	S	S	*	.	H	α-helix	trans	-68.6	-38.6	173.3	-72.1	176.7	-23.6	0	0	112.8	S637 S638 Q639	S637-Q641 WeakPolarHBondContact O-CG 3.36Å; S637-Q641 PolarHBondContact O-N 3.35Å; S638-Q641 PolarHBondContact O-N 2.93Å; Q639-Q641 VanDerWaalsContact C-N 3.27Å; Q639-Q641 PolarHBondContact O-N 2.59Å
642	K	44.4	Very low	67.1	Low	163 Å²	163	80.1 Å²	80.1	71%	0.709	40%	0.403	S	S	*	.	H	α-helix	trans	-73.7	-29.1	-180	-79	-179.4	175.9	177.3	0	114	S638 Q639 Q644	S638-K642 WeakPolarHBondContact O-CG 3.34Å; S638-K642 PolarHBondContact O-N 3.14Å; Q639-K642 PolarHBondContact O-N 2.81Å; Q639-K642 VanDerWaalsContact O-N 3.08Å; K642-Q644 PolarHBondContact O-N 3.44Å
643	E	41.8	Very low	67.9	Low	168 Å²	168	78.4 Å²	78.4	79%	0.785	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.5	177.2	-70.6	-174.8	148.5	0	0	113.9	Q639	Q639-E643 PolarHBondContact O-N 2.95Å
644	Q	42.2	Very low	68.6	Low	131 Å²	131	76.1 Å²	76.1	61%	0.612	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-14.4	-176	-74.1	-175.5	-14.2	0	0	115.9	Q640 K642 L646	Q640-Q644 WeakPolarHBondContact O-CG 3.42Å; K642-Q644 PolarHBondContact O-N 3.44Å; Q644-L646 PolarHBondContact O-N 3.42Å
645	Q	46.8	Very low	69.4	Low	147 Å²	147	71.2 Å²	71.2	69%	0.687	36%	0.36	S	S	*	.			trans	-97.4	82.6	-177.9	-71.7	-170.3	-18.2	0	0	113
646	L	54.8	Low	69.9	Low	87 Å²	87	73 Å²	73	46%	0.455	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-72.5	152.5	154.7	-73.6	-174.9	0	0	0	110.4	Q644 P668	Q644-L646 PolarHBondContact O-N 3.42Å; L646-P668 HydrophobicContact CB-CG 3.99Å; L646-P668 HydrophobicContact CD1-CG 4.4Å
647	P	66.7	Low	70.5	Confident	72 Å²	72	72.4 Å²	72.4	47%	0.468	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.5	147.4	178.9	24.8	-34.7	0	0	0	112
648	P	82.4	Confident	71.6	Confident	67 Å²	67	71.5 Å²	71.5	44%	0.435	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-57.1	156	177.7	23.9	-34.3	0	0	0	112.1	T665 L748	P648-T665 HydrophobicContact CB-CG2 3.77Å; P648-L748 HydrophobicContact CB-CD1 3.74Å
649	R	90.4	Very high	72.6	Confident	21 Å²	21	71.2 Å²	71.2	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	165.4	170.2	-60.4	-68.4	176.7	-122	15.5	109.3	A666 P668 L766 D792	R649-A666 HydrophobicContact CB-CB 4.14Å; R649-A666 PolarHBondContact N-O 2.95Å; R649-A666 PolarHBondContact O-N 2.99Å; R649-P668 HydrophobicContact CG-CB 3.92Å; R649-L766 HydrophobicContact CB-CD1 4.19Å; R649-L766 HydrophobicContact CB-CD2 3.52Å; R649-L766 HydrophobicContact CG-CD2 3.59Å; R649-D792 IonicContact CZ-OD1 2.76Å; R649-D792 IonicContact NH1-OD1 3.21Å; R649-D792 PolarHBondContact NH1-OD1 2.92Å; R649-D792 IonicContact NH2-OD1 3.42Å; R649-D792 PolarHBondContact NH2-OD1 3.05Å
650	A	91.9	Very high	73.9	Confident	7 Å²	7	66.8 Å²	66.8	6%	0.058	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.5	178.7	0	0	0	0	0	112.2	V663 S791 A794	A650-V663 HydrophobicContact CB-CG1 4.32Å; A650-S791 PolarHBondContact N-O 3.09Å; A650-S791 VanDerWaalsContact N-O 3.08Å; A650-S791 PolarHBondContact O-N 3.41Å; A650-S791 PolarHBondContact O-OG 3.18Å; A650-A794 HydrophobicContact CB-CB 4.17Å
651	V	95.1	Very high	75.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.1	163.8	-179	0	0	0	0	107.8	L664 A666 I733 L766 L768 I776 V788 L789 L790	V651-L664 HydrophobicContact CB-CB 4.33Å; V651-L664 PolarHBondContact N-O 2.84Å; V651-L664 PolarHBondContact O-N 2.82Å; V651-A666 HydrophobicContact CG2-CB 4.14Å; V651-I733 HydrophobicContact CG1-CD1 3.88Å; V651-I733 HydrophobicContact CG2-CD1 4.18Å; V651-L766 HydrophobicContact CG2-CD1 3.71Å; V651-L768 HydrophobicContact CG2-CD2 4.49Å; V651-I776 HydrophobicContact CG1-CD1 3.98Å; V651-V788 HydrophobicContact CG1-CB 4.08Å; V651-V788 HydrophobicContact CG1-CG1 4.41Å; V651-V788 HydrophobicContact CG1-CG2 4.35Å; V651-L789 WeakPolarHBondContact CA-O 3.5Å; V651-L790 HydrophobicContact CG1-CD2 4.13Å; V651-L790 HydrophobicContact CG2-CD2 3.89Å
652	Q	93.9	Very high	77	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.009	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.8	176.2	-63.6	-178.7	-82.9	0	0	110.8	I654 V662 V663 V788 L789 A794 R795	Q652-I654 HydrophobicContact CB-CG2 4.23Å; Q652-V662 WeakPolarHBondContact CA-O 3.39Å; Q652-V663 HydrophobicContact CG-CB 4.4Å; Q652-V663 HydrophobicContact CG-CG1 4.11Å; Q652-V663 HydrophobicContact CG-CG2 4.08Å; Q652-V788 CarbonylContact O-C 3.56Å; Q652-V788 WeakPolarHBondContact O-CA 3.45Å; Q652-V788 WeakPolarHBondContact O-CB 3.4Å; Q652-L789 HydrophobicContact CB-CB 4.39Å; Q652-L789 PolarHBondContact N-O 3.13Å; Q652-L789 PolarHBondContact O-N 3Å; Q652-A794 HydrophobicContact CG-CB 4.48Å; Q652-R795 PolarHBondContact NE2-O 2.87Å
653	I	93.8	Very high	79.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	115.6	172.9	-48.1	-178.8	0	0	0	108.8	F658 G660 V662 I775 I776 A779 V786 V788	I653-F658 HydrophobicContact CB-CB 4Å; I653-F658 HydrophobicContact CB-CD2 4.17Å; I653-F658 HydrophobicContact CB-CG 4.21Å; I653-F658 HydrophobicContact CG2-CB 3.98Å; I653-F658 HydrophobicContact CG2-CD2 3.47Å; I653-F658 VanDerWaalsContact CG2-CD2 3.47Å; I653-F658 HydrophobicContact CG2-CE2 4.29Å; I653-F658 HydrophobicContact CG2-CG 3.98Å; I653-F658 WeakPolarHBondContact O-CB 3.44Å; I653-G660 WeakPolarHBondContact O-CA 3.37Å; I653-G660 PolarHBondContact O-N 3.37Å; I653-V662 HydrophobicContact CB-CB 4.36Å; I653-V662 HydrophobicContact CD1-CB 4.34Å; I653-V662 HydrophobicContact CD1-CG1 3.86Å; I653-V662 HydrophobicContact CG1-CB 4.33Å; I653-V662 HydrophobicContact CG1-CG1 4.05Å; I653-V662 PolarHBondContact N-O 3.08Å; I653-V662 VanDerWaalsContact N-O 3.16Å; I653-I775 HydrophobicContact CD1-CG2 4.3Å; I653-I776 HydrophobicContact CD1-CG1 4.42Å; I653-A779 HydrophobicContact CD1-CB 4.26Å; I653-V786 HydrophobicContact CG2-CG1 3.78Å; I653-V788 HydrophobicContact CG1-CG1 4.3Å
654	I	92.3	Very high	81.8	Confident	10 Å²	10	50.6 Å²	50.6	5%	0.051	26%	0.257	C	S	.	.			trans	-113	-7.9	-169.5	63.8	170	0	0	0	114.2	Q652 R682 E787 L789 I800	Q652-I654 HydrophobicContact CB-CG2 4.23Å; I654-R682 HydrophobicContact CD1-CG 3.87Å; I654-R682 VanDerWaalsContact CD1-CZ 3.4Å; I654-E787 HydrophobicContact CD1-CG 4.1Å; I654-E787 HydrophobicContact CG1-CB 4.1Å; I654-E787 HydrophobicContact CG1-CG 3.98Å; I654-E787 WeakPolarHBondContact CG1-O 3.46Å; I654-E787 PolarHBondContact N-O 2.85Å; I654-L789 HydrophobicContact CD1-CB 4.39Å; I654-L789 HydrophobicContact CG2-CB 4.13Å; I654-I800 HydrophobicContact CB-CG2 4.18Å; I654-I800 HydrophobicContact CG2-CD1 4.34Å; I654-I800 HydrophobicContact CG2-CG2 3.9Å
655	S	90.1	Very high	84.2	Confident	11 Å²	11	47 Å²	47	8%	0.077	24%	0.244	C	C	.	.	S	Bend	trans	-66.9	166.4	166.7	51.3	0	0	0	0	111.9	F658 F659 Q785 V786 E787	S655-F658 PolarHBondContact O-N 2.86Å; S655-F659 PolarHBondContact O-N 3.4Å; S655-Q785 WeakPolarHBondContact CB-O 3.43Å; S655-V786 WeakPolarHBondContact OG-CA 3.31Å; S655-E787 PolarHBondContact N-O 2.91Å; S655-E787 PolarHBondContact OG-N 3.34Å; S655-E787 VanDerWaalsContact OG-N 3.14Å
656	H	82.4	Confident	86.3	Confident	120 Å²	120	40 Å²	40	56%	0.556	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	147.5	165.2	-178.2	80.3	0	0	0	109.9	F658 F659	H656-F658 VanDerWaalsContact C-N 3.33Å; H656-F659 HydrophobicContact CB-CE1 4.25Å; H656-F659 HydrophobicContact CB-CZ 3.98Å; H656-F659 AromaticContact ND1-CE2 3.38Å; H656-F659 WeakPolarHBondContact ND1-CE2 3.16Å; H656-F659 AromaticContact ND1-CZ 3.28Å; H656-F659 VanDerWaalsContact ND1-CZ 3.28Å; H656-F659 WeakPolarHBondContact ND1-CZ 3.27Å
657	P	84.4	Confident	88	Confident	48 Å²	48	35.9 Å²	35.9	31%	0.312	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.7	-4	-7.6	35.4	-36.6	0	0	0	113.8	F659 H783	P657-F659 WeakPolarHBondContact O-CD2 3.5Å; P657-H783 VanDerWaalsContact CD-CD2 3.43Å; P657-H783 WeakPolarHBondContact CD-CD2 3.39Å; P657-H783 WeakPolarHBondContact CD-NE2 3.36Å
658	F	86.2	Confident	89.1	Confident	40 Å²	40	32.9 Å²	32.9	18%	0.175	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-39.6	-167.3	-55.5	-69.1	0	0	0	114.6	I653 S655 H656 G660 R661 V662 A779 H783	I653-F658 HydrophobicContact CB-CB 4Å; I653-F658 HydrophobicContact CB-CD2 4.17Å; I653-F658 HydrophobicContact CB-CG 4.21Å; I653-F658 HydrophobicContact CG2-CB 3.98Å; I653-F658 HydrophobicContact CG2-CD2 3.47Å; I653-F658 VanDerWaalsContact CG2-CD2 3.47Å; I653-F658 HydrophobicContact CG2-CE2 4.29Å; I653-F658 HydrophobicContact CG2-CG 3.98Å; I653-F658 WeakPolarHBondContact O-CB 3.44Å; S655-F658 PolarHBondContact O-N 2.86Å; H656-F658 VanDerWaalsContact C-N 3.33Å; F658-G660 PolarHBondContact O-N 2.94Å; F658-R661 WeakPolarHBondContact O-CA 3.5Å; F658-R661 WeakPolarHBondContact O-CB 3.49Å; F658-R661 WeakPolarHBondContact O-CG 3.49Å; F658-R661 PolarHBondContact O-N 2.75Å; F658-V662 HydrophobicContact CB-CG2 4.4Å; F658-V662 HydrophobicContact CD1-CB 4.36Å; F658-V662 HydrophobicContact CD1-CG2 3.46Å; F658-V662 VanDerWaalsContact CD1-CG2 3.46Å; F658-V662 HydrophobicContact CE1-CG2 4.06Å; F658-V662 HydrophobicContact CG-CG2 4.18Å; F658-A779 HydrophobicContact CE2-CB 3.66Å; F658-A779 HydrophobicContact CZ-CB 4.04Å; F658-H783 AromaticContact CE2-CD2 3.7Å; F658-H783 AromaticContact CE2-NE2 3.8Å; F658-H783 AromaticContact CZ-NE2 4Å
659	F	84.5	Confident	89.4	Confident	42 Å²	42	30.6 Å²	30.6	18%	0.184	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	33.8	174.9	-59	-66.3	0	0	0	115.7	S655 H656 P657 R661 L801 I806 I810	S655-F659 PolarHBondContact O-N 3.4Å; H656-F659 HydrophobicContact CB-CE1 4.25Å; H656-F659 HydrophobicContact CB-CZ 3.98Å; H656-F659 AromaticContact ND1-CE2 3.38Å; H656-F659 WeakPolarHBondContact ND1-CE2 3.16Å; H656-F659 AromaticContact ND1-CZ 3.28Å; H656-F659 VanDerWaalsContact ND1-CZ 3.28Å; H656-F659 WeakPolarHBondContact ND1-CZ 3.27Å; P657-F659 WeakPolarHBondContact O-CD2 3.5Å; F659-R661 VanDerWaalsContact C-N 3.35Å; F659-L801 HydrophobicContact CD1-CD2 4.37Å; F659-I806 HydrophobicContact CE1-CD1 4.43Å; F659-I810 HydrophobicContact CZ-CD1 4.35Å
660	G	83	Confident	89.2	Confident	2 Å²	2	35.1 Å²	35.1	2%	0.021	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	11.3	-175.8	0	0	0	0	0	114.9	I653 F658	I653-G660 WeakPolarHBondContact O-CA 3.37Å; I653-G660 PolarHBondContact O-N 3.37Å; F658-G660 PolarHBondContact O-N 2.94Å
661	R	81.6	Confident	89	Confident	145 Å²	145	35.4 Å²	35.4	55%	0.547	18%	0.179	S	C	.	.			trans	-70.3	-38	170.9	-65.7	174.3	177.4	-157.5	1.2	111.9	F658 F659	F658-R661 WeakPolarHBondContact O-CA 3.5Å; F658-R661 WeakPolarHBondContact O-CB 3.49Å; F658-R661 WeakPolarHBondContact O-CG 3.49Å; F658-R661 PolarHBondContact O-N 2.75Å; F659-R661 VanDerWaalsContact C-N 3.35Å
662	V	89.3	Confident	88.6	Confident	33 Å²	33	36.6 Å²	36.6	20%	0.2	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124	176.6	174.5	0	0	0	0	109.6	Q652 I653 F658 L664 I775	Q652-V662 WeakPolarHBondContact CA-O 3.39Å; I653-V662 HydrophobicContact CB-CB 4.36Å; I653-V662 HydrophobicContact CD1-CB 4.34Å; I653-V662 HydrophobicContact CD1-CG1 3.86Å; I653-V662 HydrophobicContact CG1-CB 4.33Å; I653-V662 HydrophobicContact CG1-CG1 4.05Å; I653-V662 PolarHBondContact N-O 3.08Å; I653-V662 VanDerWaalsContact N-O 3.16Å; F658-V662 HydrophobicContact CB-CG2 4.4Å; F658-V662 HydrophobicContact CD1-CB 4.36Å; F658-V662 HydrophobicContact CD1-CG2 3.46Å; F658-V662 VanDerWaalsContact CD1-CG2 3.46Å; F658-V662 HydrophobicContact CE1-CG2 4.06Å; F658-V662 HydrophobicContact CG-CG2 4.18Å; V662-L664 HydrophobicContact CG1-CD1 4.48Å; V662-L664 HydrophobicContact CG1-CD2 4.04Å; V662-L664 HydrophobicContact CG1-CG 4.06Å; V662-I775 HydrophobicContact CG1-CG2 3.94Å
663	V	92.5	Very high	88.2	Confident	70 Å²	70	39.1 Å²	39.1	42%	0.424	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127	178.7	-173.1	0	0	0	0	107.2	A650 Q652 A794	A650-V663 HydrophobicContact CB-CG1 4.32Å; Q652-V663 HydrophobicContact CG-CB 4.4Å; Q652-V663 HydrophobicContact CG-CG1 4.11Å; Q652-V663 HydrophobicContact CG-CG2 4.08Å; V663-A794 HydrophobicContact CG1-CB 3.64Å; V663-A794 HydrophobicContact CG2-CB 4.43Å
664	L	93.6	Very high	87.7	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.9	-176.3	-57.5	171.4	0	0	0	109.3	V651 V662 L768 E772 I775 I776	V651-L664 HydrophobicContact CB-CB 4.33Å; V651-L664 PolarHBondContact N-O 2.84Å; V651-L664 PolarHBondContact O-N 2.82Å; V662-L664 HydrophobicContact CG1-CD1 4.48Å; V662-L664 HydrophobicContact CG1-CD2 4.04Å; V662-L664 HydrophobicContact CG1-CG 4.06Å; L664-L768 HydrophobicContact CB-CD2 4.14Å; L664-L768 HydrophobicContact CD1-CD1 4.33Å; L664-E772 HydrophobicContact CB-CB 4.4Å; L664-E772 WeakPolarHBondContact CD1-O 3.47Å; L664-E772 HydrophobicContact CD2-CB 4.17Å; L664-E772 HydrophobicContact CD2-CG 4.42Å; L664-I775 HydrophobicContact CD2-CB 4.26Å; L664-I775 HydrophobicContact CD2-CD1 3.76Å; L664-I775 HydrophobicContact CD2-CG2 4.24Å; L664-I776 HydrophobicContact CD1-CD1 3.72Å; L664-I776 HydrophobicContact CD1-CG1 3.42Å; L664-I776 VanDerWaalsContact CD1-CG1 3.42Å
665	T	92.3	Very high	87.2	Confident	56 Å²	56	41.7 Å²	41.7	34%	0.344	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.8	179.7	-47.1	0	0	0	0	110	P648 L748 L768	P648-T665 HydrophobicContact CB-CG2 3.77Å; T665-L748 HydrophobicContact CG2-CD1 3.71Å; T665-L768 VanDerWaalsContact O-CD2 3.31Å; T665-L768 WeakPolarHBondContact O-CD2 3.5Å
666	A	92.1	Very high	86.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.5	-172	0	0	0	0	0	113.6	R649 V651 L766 F767 L768	R649-A666 HydrophobicContact CB-CB 4.14Å; R649-A666 PolarHBondContact N-O 2.95Å; R649-A666 PolarHBondContact O-N 2.99Å; V651-A666 HydrophobicContact CG2-CB 4.14Å; A666-L766 HydrophobicContact CB-CB 4.21Å; A666-L766 HydrophobicContact CB-CD1 4.21Å; A666-F767 CarbonylContact C-O 3.54Å; A666-F767 WeakPolarHBondContact CA-O 3.43Å; A666-F767 WeakPolarHBondContact CB-O 3.48Å; A666-L768 HydrophobicContact CB-CD2 3.75Å
667	G	89.9	Confident	86	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-77.3	136.5	171	0	0	0	0	0	111.5	L766 F767	G667-L766 WeakPolarHBondContact O-CA 3.39Å; G667-F767 PolarHBondContact N-O 2.7Å; G667-F767 PolarHBondContact O-N 3.39Å
668	P	89.9	Confident	84.9	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.058	25%	0.252	C	S	.	.			trans	-73.5	168.7	174.8	24.6	-26.7	0	0	0	113	L646 R649 Q750 M751	L646-P668 HydrophobicContact CB-CG 3.99Å; L646-P668 HydrophobicContact CD1-CG 4.4Å; R649-P668 HydrophobicContact CG-CB 3.92Å; P668-Q750 HydrophobicContact CB-CG 4.29Å; P668-Q750 HydrophobicContact CG-CB 4.47Å; P668-Q750 HydrophobicContact CG-CG 4.05Å; P668-Q750 CarbonylContact O-C 3.58Å; P668-Q750 VanDerWaalsContact O-CA 3.28Å; P668-Q750 WeakPolarHBondContact O-CA 3.46Å; P668-Q750 VanDerWaalsContact O-CG 3.29Å; P668-Q750 WeakPolarHBondContact O-CG 3.48Å; P668-M751 PolarHBondContact O-N 3.46Å
669	A	88.8	Confident	83.9	Confident	19 Å²	19	56 Å²	56	16%	0.157	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-104.8	159.3	167	0	0	0	0	0	111.8	F671 Q750 M751 M765	A669-F671 VanDerWaalsContact C-N 3.3Å; A669-F671 HydrophobicContact CB-CD1 4.37Å; A669-F671 HydrophobicContact CB-CD2 4.46Å; A669-F671 HydrophobicContact CB-CE1 4.14Å; A669-F671 HydrophobicContact CB-CE2 4.26Å; A669-F671 HydrophobicContact CB-CZ 4.07Å; A669-F671 WeakPolarHBondContact CB-O 3.43Å; A669-Q750 VanDerWaalsContact C-NE2 3.31Å; A669-Q750 PolarHBondContact O-NE2 2.9Å; A669-M751 HydrophobicContact CB-CB 4.26Å; A669-M751 HydrophobicContact CB-CE 4.06Å; A669-M765 HydrophobicContact CB-CB 3.88Å; A669-M765 WeakPolarHBondContact CB-O 3.26Å
670	Q	86.1	Confident	83.9	Confident	117 Å²	117	57 Å²	57	55%	0.547	29%	0.288	S	S	.	.	S	Bend	trans	-83.7	-6.5	170.4	-73.3	-176.5	-15.3	0	0	113.4	Q750 M751	Q670-Q750 HydrophobicContact CG-CG 3.72Å; Q670-M751 PolarHBondContact N-O 3.31Å
671	F	87.6	Confident	84.3	Confident	12 Å²	12	58 Å²	58	5%	0.053	29%	0.293	C	S	.	.	S	Bend	trans	-140.5	163.4	-170.3	54.9	-91.2	0	0	0	109.8	A669 F717 A718 A721 M751 A752 T758 I761 M765	A669-F671 VanDerWaalsContact C-N 3.3Å; A669-F671 HydrophobicContact CB-CD1 4.37Å; A669-F671 HydrophobicContact CB-CD2 4.46Å; A669-F671 HydrophobicContact CB-CE1 4.14Å; A669-F671 HydrophobicContact CB-CE2 4.26Å; A669-F671 HydrophobicContact CB-CZ 4.07Å; A669-F671 WeakPolarHBondContact CB-O 3.43Å; F671-F717 HydrophobicContact CE1-CB 4.12Å; F671-F717 HydrophobicContact CZ-CB 3.66Å; F671-A718 HydrophobicContact CD1-CB 4.25Å; F671-A718 HydrophobicContact CD2-CB 4.29Å; F671-A718 HydrophobicContact CE1-CB 4.22Å; F671-A718 HydrophobicContact CE2-CB 4.24Å; F671-A718 HydrophobicContact CG-CB 4.31Å; F671-A718 HydrophobicContact CZ-CB 4.23Å; F671-A721 HydrophobicContact CD2-CB 4.42Å; F671-A721 HydrophobicContact CE2-CB 3.81Å; F671-M751 HydrophobicContact CE1-CB 4.17Å; F671-M751 VanDerWaalsContact CE1-O 3.28Å; F671-M751 WeakPolarHBondContact CE1-O 3.41Å; F671-M751 HydrophobicContact CZ-CB 4.29Å; F671-A752 WeakPolarHBondContact CE1-O 2.85Å; F671-T758 HydrophobicContact CB-CG2 4.1Å; F671-I761 HydrophobicContact CB-CD1 4.34Å; F671-I761 HydrophobicContact CD2-CD1 3.56Å; F671-I761 HydrophobicContact CD2-CG2 4.23Å; F671-I761 HydrophobicContact CE2-CD1 4.23Å; F671-I761 HydrophobicContact CG-CD1 4.15Å; F671-M765 HydrophobicContact CE2-CB 4.14Å; F671-M765 HydrophobicContact CE2-CG 3.96Å
672	G	86.7	Confident	84.8	Confident	26 Å²	26	56 Å²	56	27%	0.268	29%	0.285	S	S	.	.	S	Bend	trans	86.9	-164	-175.5	0	0	0	0	0	113.7	D674 I761 I763	G672-D674 PolarHBondContact O-N 3.34Å; G672-I761 WeakPolarHBondContact CA-O 3.38Å; G672-I763 CarbonylContact C-O 3.6Å; G672-I763 WeakPolarHBondContact CA-O 3.48Å
673	L	86	Confident	85	Confident	55 Å²	55	54.7 Å²	54.7	29%	0.288	28%	0.279	S	S	.	.			trans	-74.4	118.9	-175.9	-165.2	74.6	0	0	0	111.6	L675 H678 I763 P764	L673-L675 PolarHBondContact O-N 2.84Å; L673-L675 VanDerWaalsContact O-N 3.08Å; L673-H678 VanDerWaalsContact CD1-CD2 3.49Å; L673-H678 WeakPolarHBondContact CD1-CD2 3.46Å; L673-H678 HydrophobicContact CD2-CB 4.47Å; L673-H678 HydrophobicContact CG-CB 4.4Å; L673-I763 PolarHBondContact N-O 3.06Å; L673-P764 HydrophobicContact CB-CB 4.04Å; L673-P764 HydrophobicContact CB-CG 4.47Å
674	D	81.9	Confident	85.2	Confident	52 Å²	52	55 Å²	55	28%	0.278	28%	0.275	S	S	.	.			trans	-73.9	100	176.7	-174.8	-3.8	0	0	0	112	G672 S676 K677 H678	G672-D674 PolarHBondContact O-N 3.34Å; D674-S676 VanDerWaalsContact CG-OG 3.25Å; D674-S676 PolarHBondContact O-N 3.37Å; D674-S676 VanDerWaalsContact O-N 3.11Å; D674-S676 WeakPolarHBondContact OD1-CB 3.4Å; D674-S676 PolarHBondContact OD1-N 2.89Å; D674-S676 PolarHBondContact OD1-OG 2.98Å; D674-S676 PolarHBondContact OD2-OG 3.17Å; D674-K677 PolarHBondContact O-N 2.99Å; D674-K677 WeakPolarHBondContact OD2-CG 3.42Å; D674-K677 IonicContact OD2-NZ 2.72Å; D674-K677 PolarHBondContact OD2-NZ 3.46Å; D674-H678 PolarHBondContact O-N 3.29Å; D674-H678 VanDerWaalsContact O-N 3.14Å
675	L	83	Confident	85.3	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.063	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.4	177.4	-68.6	172.2	0	0	0	114.5	L673 P764 L766 L790	L673-L675 PolarHBondContact O-N 2.84Å; L673-L675 VanDerWaalsContact O-N 3.08Å; L675-P764 HydrophobicContact CD1-CB 4.1Å; L675-P764 HydrophobicContact CD2-CB 3.99Å; L675-P764 HydrophobicContact CD2-CG 4.5Å; L675-P764 HydrophobicContact CG-CB 3.98Å; L675-L766 HydrophobicContact CD1-CD1 4.14Å; L675-L766 HydrophobicContact CD1-CD2 4.16Å; L675-L766 HydrophobicContact CD1-CG 4.28Å; L675-L790 HydrophobicContact CD1-CB 4.1Å
676	S	74.3	Confident	85.4	Confident	63 Å²	63	53.4 Å²	53.4	44%	0.441	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-17.6	172	70.7	0	0	0	0	113.7	D674 D792	D674-S676 VanDerWaalsContact CG-OG 3.25Å; D674-S676 PolarHBondContact O-N 3.37Å; D674-S676 VanDerWaalsContact O-N 3.11Å; D674-S676 WeakPolarHBondContact OD1-CB 3.4Å; D674-S676 PolarHBondContact OD1-N 2.89Å; D674-S676 PolarHBondContact OD1-OG 2.98Å; D674-S676 PolarHBondContact OD2-OG 3.17Å; S676-D792 WeakPolarHBondContact CB-OD1 3.49Å
677	K	71.6	Confident	85.4	Confident	159 Å²	159	55.7 Å²	55.7	69%	0.691	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-17.2	-179.5	-61.8	-172.8	-176.8	89.1	0	113.5	D674	D674-K677 PolarHBondContact O-N 2.99Å; D674-K677 WeakPolarHBondContact OD2-CG 3.42Å; D674-K677 IonicContact OD2-NZ 2.72Å; D674-K677 PolarHBondContact OD2-NZ 3.46Å
678	H	63.1	Low	85.6	Confident	112 Å²	112	55.8 Å²	55.8	52%	0.519	28%	0.283	S	S	.	.	S	Bend	trans	-126.6	158.1	-176.2	-63.8	-41.8	0	0	0	112	L673 D674	L673-H678 VanDerWaalsContact CD1-CD2 3.49Å; L673-H678 WeakPolarHBondContact CD1-CD2 3.46Å; L673-H678 HydrophobicContact CD2-CB 4.47Å; L673-H678 HydrophobicContact CG-CB 4.4Å; D674-H678 PolarHBondContact O-N 3.29Å; D674-H678 VanDerWaalsContact O-N 3.14Å
679	K	65.2	Low	85.6	Confident	185 Å²	185	61.4 Å²	61.4	80%	0.804	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-65.4	154.5	-178.8	-75.3	-174.9	174.1	-178.1	0	111.9
680	E	84.3	Confident	85.8	Confident	64 Å²	64	62.4 Å²	62.4	30%	0.299	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-50.6	148.1	-178.8	-59	104.1	-90.5	0	0	113.9	L789 L790 R795	E680-L789 HydrophobicContact CB-CD1 3.61Å; E680-L789 HydrophobicContact CB-CG 4.12Å; E680-L789 HydrophobicContact CG-CD1 4.24Å; E680-L789 HydrophobicContact CG-CD2 4.39Å; E680-L789 HydrophobicContact CG-CG 4.32Å; E680-L790 WeakPolarHBondContact CA-O 3.31Å; E680-L790 WeakPolarHBondContact CB-O 3.41Å; E680-R795 IonicContact OE1-CZ 3.06Å; E680-R795 IonicContact OE1-NE 2.69Å; E680-R795 IonicContact OE1-NH2 3.75Å; E680-R795 PolarHBondContact OE1-NH2 2.89Å; E680-R795 IonicContact OE2-CZ 3.58Å; E680-R795 IonicContact OE2-NE 3.96Å; E680-R795 PolarHBondContact OE2-NE 2.82Å; E680-R795 IonicContact OE2-NH2 2.74Å; E680-R795 PolarHBondContact OE2-NH2 2.82Å
681	T	90.3	Very high	86	Confident	21 Å²	21	59.9 Å²	59.9	13%	0.129	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.8	172.1	-66.1	0	0	0	0	109.9	P764 L790	T681-P764 HydrophobicContact CG2-CG 3.95Å; T681-L790 HydrophobicContact CG2-CD1 4.37Å; T681-L790 PolarHBondContact N-O 3.45Å; T681-L790 VanDerWaalsContact N-O 3.1Å; T681-L790 PolarHBondContact O-N 2.98Å
682	R	93.3	Very high	86	Confident	104 Å²	104	62.4 Å²	62.4	39%	0.392	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.6	-177.2	174.8	177.9	179	136.9	15.3	109.4	I654 I730 E787 V788 L789	I654-R682 HydrophobicContact CD1-CG 3.87Å; I654-R682 VanDerWaalsContact CD1-CZ 3.4Å; R682-I730 WeakPolarHBondContact O-CD1 3.4Å; R682-E787 IonicContact CZ-OE1 2.76Å; R682-E787 IonicContact CZ-OE2 3.78Å; R682-E787 IonicContact NE-OE1 3.28Å; R682-E787 PolarHBondContact NE-OE1 3.47Å; R682-E787 IonicContact NE-OE2 2.73Å; R682-E787 VanDerWaalsContact NH2-CD 3.33Å; R682-E787 IonicContact NH2-OE1 2.96Å; R682-E787 PolarHBondContact NH2-OE1 3.04Å; R682-E787 IonicContact NH2-OE2 3.24Å; R682-E787 PolarHBondContact NH2-OE2 3.35Å; R682-V788 WeakPolarHBondContact CA-O 3.21Å; R682-L789 HydrophobicContact CB-CD1 3.97Å
683	G	93.3	Very high	86.1	Confident	6 Å²	6	61.2 Å²	61.2	6%	0.062	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	164.7	175.4	0	0	0	0	0	114.3	V788	G683-V788 PolarHBondContact N-O 3.47Å; G683-V788 VanDerWaalsContact N-O 3.08Å; G683-V788 PolarHBondContact O-N 3.08Å
684	F	95.6	Very high	86.2	Confident	77 Å²	77	60.3 Å²	60.3	34%	0.338	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	147.8	167.5	-63.6	-78.8	0	0	0	110.4	K706 I707 Q785 V786 E787	F684-K706 HydrophobicContact CB-CD 4.26Å; F684-K706 HydrophobicContact CB-CG 4.28Å; F684-K706 WeakPolarHBondContact O-CA 3.36Å; F684-K706 VanDerWaalsContact O-CB 3.23Å; F684-K706 WeakPolarHBondContact O-CB 3.48Å; F684-I707 PolarHBondContact O-N 3.26Å; F684-Q785 HydrophobicContact CD1-CB 4.01Å; F684-Q785 HydrophobicContact CE1-CB 3.81Å; F684-V786 VanDerWaalsContact CA-O 3.28Å; F684-V786 WeakPolarHBondContact CA-O 3.27Å; F684-V786 WeakPolarHBondContact CD1-O 3.38Å; F684-E787 HydrophobicContact CD1-CB 3.86Å; F684-E787 HydrophobicContact CD1-CG 4.26Å; F684-E787 HydrophobicContact CE1-CB 3.84Å; F684-E787 HydrophobicContact CE1-CG 4.24Å
685	V	95.6	Very high	86.6	Confident	15 Å²	15	60.4 Å²	60.4	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	148.2	176.5	-78.6	0	0	0	0	112.1	I707 L709 I776 I780 V786 V788	V685-I707 WeakPolarHBondContact CA-O 3.49Å; V685-I707 HydrophobicContact CG1-CB 4.17Å; V685-I707 HydrophobicContact CG1-CG2 4.14Å; V685-L709 HydrophobicContact CB-CD1 4.39Å; V685-L709 HydrophobicContact CB-CD2 4.33Å; V685-L709 HydrophobicContact CB-CG 4.22Å; V685-L709 HydrophobicContact CG1-CD2 3.98Å; V685-L709 HydrophobicContact CG1-CG 4.42Å; V685-I776 HydrophobicContact CG1-CG2 4.49Å; V685-I776 HydrophobicContact CG2-CG2 4.24Å; V685-I780 HydrophobicContact CB-CD1 4.21Å; V685-I780 HydrophobicContact CG2-CD1 3.63Å; V685-I780 HydrophobicContact CG2-CG1 3.86Å; V685-V786 HydrophobicContact CG2-CB 3.6Å; V685-V786 HydrophobicContact CG2-CG1 3.64Å; V685-V786 WeakPolarHBondContact CG2-O 3.45Å; V685-V786 PolarHBondContact N-O 3.25Å; V685-V786 VanDerWaalsContact N-O 3.08Å; V685-V788 HydrophobicContact CG1-CB 4.45Å; V685-V788 HydrophobicContact CG1-CG1 3.92Å; V685-V788 HydrophobicContact CG1-CG2 3.65Å
686	A	94.1	Very high	86.9	Confident	14 Å²	14	67.4 Å²	67.4	12%	0.116	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	136.3	173.1	0	0	0	0	0	112.2	A702 V703 K706 I707 A708 L709	A686-A702 VanDerWaalsContact CB-O 3.26Å; A686-A702 WeakPolarHBondContact CB-O 3.35Å; A686-V703 HydrophobicContact CB-CG2 4.38Å; A686-K706 HydrophobicContact CB-CB 4.42Å; A686-K706 HydrophobicContact CB-CD 3.72Å; A686-I707 PolarHBondContact N-O 3.39Å; A686-A708 CarbonylContact O-C 3.45Å; A686-A708 WeakPolarHBondContact O-CA 3.43Å; A686-L709 PolarHBondContact O-N 3.35Å
687	S	93.4	Very high	87.8	Confident	47 Å²	47	65.3 Å²	65.3	33%	0.329	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.6	-179.8	-43.7	0	0	0	0	112.8	N699	S687-N699 PolarHBondContact O-ND2 3Å
688	S	92.9	Very high	88.8	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.014	32%	0.318	C	S	.	.			trans	-71.9	155.9	172.7	68.4	0	0	0	0	112.4	P690 Y691 L709	S688-P690 CarbonylContact C-O 3.49Å; S688-P690 CarbonylContact O-C 3.39Å; S688-P690 PolarHBondContact OG-O 3.44Å; S688-Y691 VanDerWaalsContact O-CA 3.3Å; S688-Y691 WeakPolarHBondContact O-CA 3.11Å; S688-Y691 PolarHBondContact O-N 2.62Å; S688-Y691 PolarHBondContact OG-O 3.29Å; S688-L709 PolarHBondContact N-O 3.05Å; S688-L709 PolarHBondContact OG-O 3.18Å
689	K	91.3	Very high	90.2	Very high	128 Å²	128	59.1 Å²	59.1	56%	0.557	30%	0.3	S	S	*	.	S	Bend	trans	-129.5	120.9	166.1	-65.2	-174.4	-175.6	-176.8	0	108.2	L697 T698 N699	K689-L697 CarbonylContact O-C 3.42Å; K689-L697 VanDerWaalsContact O-CA 3.28Å; K689-L697 WeakPolarHBondContact O-CA 3.5Å; K689-T698 WeakPolarHBondContact CB-OG1 3.49Å; K689-T698 PolarHBondContact O-N 2.75Å; K689-T698 PolarHBondContact O-OG1 3.16Å; K689-N699 HydrophobicContact CB-CB 4.19Å; K689-N699 HydrophobicContact CD-CB 4.46Å; K689-N699 HydrophobicContact CG-CB 4.46Å; K689-N699 PolarHBondContact N-OD1 2.89Å
690	P	91.6	Very high	91.4	Very high	40 Å²	40	52.7 Å²	52.7	26%	0.26	28%	0.277	S	S	.	.	S	Bend	cis	-62.3	149.3	-4.8	30.2	-36.3	0	0	0	112	S688 N692 G693 S695	S688-P690 CarbonylContact C-O 3.49Å; S688-P690 CarbonylContact O-C 3.39Å; S688-P690 PolarHBondContact OG-O 3.44Å; P690-N692 PolarHBondContact O-N 2.82Å; P690-G693 PolarHBondContact O-N 3.06Å; P690-S695 WeakPolarHBondContact CD-OG 3.36Å; P690-S695 WeakPolarHBondContact CG-OG 3.42Å
691	Y	90.8	Very high	91.8	Very high	63 Å²	63	58.2 Å²	58.2	25%	0.247	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.8	-175.5	-173.4	-133.7	0	0	0	112.6	S688 G693 L709 I710 Q711	S688-Y691 VanDerWaalsContact O-CA 3.3Å; S688-Y691 WeakPolarHBondContact O-CA 3.11Å; S688-Y691 PolarHBondContact O-N 2.62Å; S688-Y691 PolarHBondContact OG-O 3.29Å; Y691-G693 VanDerWaalsContact C-N 3.3Å; Y691-G693 PolarHBondContact O-N 2.77Å; Y691-L709 HydrophobicContact CE2-CB 4.39Å; Y691-I710 CarbonylContact O-C 3.43Å; Y691-I710 WeakPolarHBondContact O-CA 3.41Å; Y691-I710 WeakPolarHBondContact O-CG2 3.38Å; Y691-Q711 HydrophobicContact CD1-CB 3.72Å; Y691-Q711 HydrophobicContact CD1-CG 4.34Å; Y691-Q711 HydrophobicContact CE1-CB 3.68Å; Y691-Q711 HydrophobicContact CE1-CG 4.03Å; Y691-Q711 HydrophobicContact CG-CB 4.29Å; Y691-Q711 PolarHBondContact O-N 3.09Å
692	N	88.4	Confident	91.7	Very high	66 Å²	66	59.2 Å²	59.2	35%	0.353	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10	173.2	67.7	16	0	0	0	114.5	P690 C694 I710 K720	P690-N692 PolarHBondContact O-N 2.82Å; N692-C694 PolarHBondContact O-N 3.08Å; N692-C694 VanDerWaalsContact O-N 3.07Å; N692-C694 PolarHBondContact O-SG 3.31Å; N692-C694 VanDerWaalsContact O-SG 3.34Å; N692-C694 PolarHBondContact OD1-N 3.01Å; N692-C694 VanDerWaalsContact OD1-N 3.07Å; N692-I710 VanDerWaalsContact C-CG2 3.41Å; N692-I710 WeakPolarHBondContact O-CG2 3.25Å; N692-K720 PolarHBondContact O-NZ 2.71Å
693	G	88.3	Confident	91.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.294	C	S	.	.			trans	60.8	14.6	179.3	0	0	0	0	0	115.9	P690 Y691 S695 N723	P690-G693 PolarHBondContact O-N 3.06Å; Y691-G693 VanDerWaalsContact C-N 3.3Å; Y691-G693 PolarHBondContact O-N 2.77Å; G693-S695 PolarHBondContact O-N 3.45Å; G693-N723 PolarHBondContact O-ND2 3.34Å
694	C	88.2	Confident	91.7	Very high	36 Å²	36	59.7 Å²	59.7	24%	0.243	32%	0.32	C	S	.	.			trans	-84.5	11.8	-174.5	-60	0	0	0	0	114.4	N692 C715	N692-C694 PolarHBondContact O-N 3.08Å; N692-C694 VanDerWaalsContact O-N 3.07Å; N692-C694 PolarHBondContact O-SG 3.31Å; N692-C694 VanDerWaalsContact O-SG 3.34Å; N692-C694 PolarHBondContact OD1-N 3.01Å; N692-C694 VanDerWaalsContact OD1-N 3.07Å; C694-C715 WeakPolarHBondContact CA-SG 3.38Å; C694-C715 HydrophobicContact CB-CB 3.61Å; C694-C715 WeakPolarHBondContact CB-SG 3.44Å; C694-C715 WeakPolarHBondContact SG-CB 3.28Å; C694-C715 CovalentContact SG-SG 2.03Å; C694-C715 PolarHBondContact SG-SG 3.06Å
695	S	90.2	Very high	91.6	Very high	55 Å²	55	58.1 Å²	58.1	39%	0.385	33%	0.326	S	S	.	.	S	Bend	trans	-146.8	175.2	171.2	70.2	0	0	0	0	109	P690 G693 N723	P690-S695 WeakPolarHBondContact CD-OG 3.36Å; P690-S695 WeakPolarHBondContact CG-OG 3.42Å; G693-S695 PolarHBondContact O-N 3.45Å; S695-N723 PolarHBondContact O-ND2 2.81Å
696	E	90.2	Very high	91.6	Very high	159 Å²	159	60.9 Å²	60.9	74%	0.743	34%	0.336	S	S	*	.			trans	-50.3	142.3	163.2	-63.2	-174.2	152.3	0	0	110.8
697	L	92.2	Very high	91.8	Very high	19 Å²	19	60.2 Å²	60.2	10%	0.099	33%	0.331	C	S	.	.			trans	-75.9	134.5	-177.9	-87.3	68.6	0	0	0	110.7	K689 N699 V703 N723 I724 A727	K689-L697 CarbonylContact O-C 3.42Å; K689-L697 VanDerWaalsContact O-CA 3.28Å; K689-L697 WeakPolarHBondContact O-CA 3.5Å; L697-N699 VanDerWaalsContact C-N 3.32Å; L697-V703 HydrophobicContact CD2-CB 4.25Å; L697-V703 HydrophobicContact CD2-CG1 4.25Å; L697-V703 HydrophobicContact CD2-CG2 3.99Å; L697-N723 HydrophobicContact CD1-CB 4Å; L697-I724 HydrophobicContact CD1-CG2 4.01Å; L697-I724 HydrophobicContact CD2-CG2 4.1Å; L697-A727 HydrophobicContact CB-CB 4.19Å; L697-A727 HydrophobicContact CD2-CB 3.89Å; L697-A727 HydrophobicContact CG-CB 4.46Å
698	T	91.6	Very high	91.9	Very high	114 Å²	114	58 Å²	58	70%	0.699	32%	0.315	S	S	*	.	S	Bend	trans	-85.4	-5.3	172.7	59.5	0	0	0	0	113	K689 P700	K689-T698 WeakPolarHBondContact CB-OG1 3.49Å; K689-T698 PolarHBondContact O-N 2.75Å; K689-T698 PolarHBondContact O-OG1 3.16Å; T698-P700 VanDerWaalsContact C-CD 3.44Å
699	N	93.8	Very high	92.1	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.144	32%	0.315	C	S	.	.			trans	-126.8	45.6	178.1	73.2	-33	0	0	0	114.4	S687 K689 L697 E701 A702	S687-N699 PolarHBondContact O-ND2 3Å; K689-N699 HydrophobicContact CB-CB 4.19Å; K689-N699 HydrophobicContact CD-CB 4.46Å; K689-N699 HydrophobicContact CG-CB 4.46Å; K689-N699 PolarHBondContact N-OD1 2.89Å; L697-N699 VanDerWaalsContact C-N 3.32Å; N699-E701 VanDerWaalsContact C-N 3.28Å; N699-E701 PolarHBondContact O-N 3.37Å; N699-A702 HydrophobicContact CB-CB 4.22Å; N699-A702 WeakPolarHBondContact O-CB 3.49Å; N699-A702 PolarHBondContact O-N 3.25Å
700	P	90.6	Very high	92.3	Very high	50 Å²	50	51.8 Å²	51.8	33%	0.325	29%	0.288	S	S	.	.	H	α-helix	trans	-58.6	-39.2	-172.6	26.2	-34.3	0	0	0	112.5	T698 A702 V703 M704 A727	T698-P700 VanDerWaalsContact C-CD 3.44Å; P700-A702 PolarHBondContact O-N 2.65Å; P700-A702 VanDerWaalsContact O-N 3.13Å; P700-V703 PolarHBondContact O-N 2.96Å; P700-M704 WeakPolarHBondContact O-CB 3.49Å; P700-M704 PolarHBondContact O-N 2.92Å; P700-A727 HydrophobicContact CB-CB 3.94Å
701	E	91.5	Very high	92.4	Very high	180 Å²	180	53.2 Å²	53.2	84%	0.841	29%	0.291	S	S	*	.	H	α-helix	trans	-56.4	-28.1	175.8	-60.1	-179.2	171.9	0	0	114.1	N699	N699-E701 VanDerWaalsContact C-N 3.28Å; N699-E701 PolarHBondContact O-N 3.37Å
702	A	89.3	Confident	92.3	Very high	41 Å²	41	54.6 Å²	54.6	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-79.4	-23.6	179.5	0	0	0	0	0	113.2	A686 N699 P700 K706	A686-A702 VanDerWaalsContact CB-O 3.26Å; A686-A702 WeakPolarHBondContact CB-O 3.35Å; N699-A702 HydrophobicContact CB-CB 4.22Å; N699-A702 WeakPolarHBondContact O-CB 3.49Å; N699-A702 PolarHBondContact O-N 3.25Å; P700-A702 PolarHBondContact O-N 2.65Å; P700-A702 VanDerWaalsContact O-N 3.13Å; A702-K706 WeakPolarHBondContact O-CD 3.4Å; A702-K706 PolarHBondContact O-NZ 3.3Å; A702-K706 VanDerWaalsContact O-NZ 3.1Å
703	V	92.6	Very high	92	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-109.1	-20.8	-170.9	177.5	0	0	0	0	112.2	A686 L697 P700 G705 K706 A708 A729	A686-V703 HydrophobicContact CB-CG2 4.38Å; L697-V703 HydrophobicContact CD2-CB 4.25Å; L697-V703 HydrophobicContact CD2-CG1 4.25Å; L697-V703 HydrophobicContact CD2-CG2 3.99Å; P700-V703 PolarHBondContact O-N 2.96Å; V703-G705 PolarHBondContact O-N 2.97Å; V703-K706 WeakPolarHBondContact O-CB 3.19Å; V703-K706 PolarHBondContact O-N 2.98Å; V703-A708 HydrophobicContact CG1-CB 3.6Å; V703-A729 HydrophobicContact CG1-CB 3.9Å
704	M	94.6	Very high	91.4	Very high	120 Å²	120	61.9 Å²	61.9	59%	0.591	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	129	175.8	-172	177.3	-66	0	0	111.8	P700 K706 G728	P700-M704 WeakPolarHBondContact O-CB 3.49Å; P700-M704 PolarHBondContact O-N 2.92Å; M704-K706 PolarHBondContact O-N 2.97Å; M704-G728 WeakPolarHBondContact CA-O 3.19Å
705	G	92.9	Very high	91.3	Very high	45 Å²	45	61 Å²	61	46%	0.464	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	7.6	-177.4	0	0	0	0	0	115.1	V703 G728	V703-G705 PolarHBondContact O-N 2.97Å; G705-G728 PolarHBondContact N-O 3.22Å
706	K	95.9	Very high	91.1	Very high	73 Å²	73	62.8 Å²	62.8	32%	0.317	33%	0.332	S	S	.	.	S	Bend	trans	-122.7	171.2	-174.5	-67.8	-172.8	-164.9	163.2	0	113	F684 A686 A702 V703 M704 A729 I730	F684-K706 HydrophobicContact CB-CD 4.26Å; F684-K706 HydrophobicContact CB-CG 4.28Å; F684-K706 WeakPolarHBondContact O-CA 3.36Å; F684-K706 VanDerWaalsContact O-CB 3.23Å; F684-K706 WeakPolarHBondContact O-CB 3.48Å; A686-K706 HydrophobicContact CB-CB 4.42Å; A686-K706 HydrophobicContact CB-CD 3.72Å; A702-K706 WeakPolarHBondContact O-CD 3.4Å; A702-K706 PolarHBondContact O-NZ 3.3Å; A702-K706 VanDerWaalsContact O-NZ 3.1Å; V703-K706 WeakPolarHBondContact O-CB 3.19Å; V703-K706 PolarHBondContact O-N 2.98Å; M704-K706 PolarHBondContact O-N 2.97Å; K706-A729 WeakPolarHBondContact O-CA 3.38Å; K706-I730 WeakPolarHBondContact O-CG1 3.08Å; K706-I730 PolarHBondContact O-N 3.4Å
707	I	97.3	Very high	91.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.1	170.9	-66.2	167.2	0	0	0	107.9	F684 V685 A686 I730 G731 I733 V788 L790	F684-I707 PolarHBondContact O-N 3.26Å; V685-I707 WeakPolarHBondContact CA-O 3.49Å; V685-I707 HydrophobicContact CG1-CB 4.17Å; V685-I707 HydrophobicContact CG1-CG2 4.14Å; A686-I707 PolarHBondContact N-O 3.39Å; I707-I730 HydrophobicContact CG1-CG1 4.27Å; I707-G731 WeakPolarHBondContact CA-O 3.47Å; I707-I733 HydrophobicContact CG2-CD1 4.06Å; I707-I733 HydrophobicContact CG2-CG1 3.96Å; I707-V788 HydrophobicContact CD1-CG2 3.53Å; I707-V788 HydrophobicContact CG2-CG2 4.41Å; I707-L790 HydrophobicContact CD1-CD1 3.9Å; I707-L790 HydrophobicContact CD1-CD2 4.19Å; I707-L790 HydrophobicContact CD1-CG 3.83Å; I707-L790 HydrophobicContact CG1-CD1 4.22Å; I707-L790 HydrophobicContact CG2-CD1 4.21Å; I707-L790 HydrophobicContact CG2-CD2 4.48Å
708	A	96.9	Very high	91	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.7	-176.8	0	0	0	0	0	111.3	A686 V703 I710 I724 A729 G731 G732 I733	A686-A708 CarbonylContact O-C 3.45Å; A686-A708 WeakPolarHBondContact O-CA 3.43Å; V703-A708 HydrophobicContact CG1-CB 3.6Å; A708-I710 HydrophobicContact CB-CG1 4.44Å; A708-I724 HydrophobicContact CB-CB 3.94Å; A708-I724 HydrophobicContact CB-CD1 3.67Å; A708-I724 HydrophobicContact CB-CG1 4.41Å; A708-I724 HydrophobicContact CB-CG2 3.69Å; A708-A729 HydrophobicContact CB-CB 4.23Å; A708-G731 PolarHBondContact N-O 3.34Å; A708-G732 WeakPolarHBondContact O-CA 3.5Å; A708-I733 PolarHBondContact O-N 3.32Å
709	L	96.3	Very high	91	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.7	165.2	-56.3	-172.1	0	0	0	109.5	V685 A686 S688 Y691 I733 I776 L777 I780	V685-L709 HydrophobicContact CB-CD1 4.39Å; V685-L709 HydrophobicContact CB-CD2 4.33Å; V685-L709 HydrophobicContact CB-CG 4.22Å; V685-L709 HydrophobicContact CG1-CD2 3.98Å; V685-L709 HydrophobicContact CG1-CG 4.42Å; A686-L709 PolarHBondContact O-N 3.35Å; S688-L709 PolarHBondContact N-O 3.05Å; S688-L709 PolarHBondContact OG-O 3.18Å; Y691-L709 HydrophobicContact CE2-CB 4.39Å; L709-I733 HydrophobicContact CD2-CB 3.82Å; L709-I733 HydrophobicContact CD2-CD1 3.95Å; L709-I733 HydrophobicContact CD2-CG1 4.32Å; L709-I733 HydrophobicContact CD2-CG2 4.41Å; L709-I776 HydrophobicContact CD1-CG2 3.87Å; L709-I776 HydrophobicContact CD2-CG2 4.38Å; L709-L777 HydrophobicContact CD1-CD2 3.98Å; L709-I780 HydrophobicContact CD1-CD1 3.44Å; L709-I780 VanDerWaalsContact CD1-CD1 3.44Å
710	I	95.1	Very high	90.9	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.4	179.9	-37.9	177.7	0	0	0	108.3	Y691 N692 A708 K720 I724 I733 V734 I735	Y691-I710 CarbonylContact O-C 3.43Å; Y691-I710 WeakPolarHBondContact O-CA 3.41Å; Y691-I710 WeakPolarHBondContact O-CG2 3.38Å; N692-I710 VanDerWaalsContact C-CG2 3.41Å; N692-I710 WeakPolarHBondContact O-CG2 3.25Å; A708-I710 HydrophobicContact CB-CG1 4.44Å; I710-K720 HydrophobicContact CD1-CB 3.93Å; I710-K720 HydrophobicContact CG2-CD 4.3Å; I710-I724 HydrophobicContact CD1-CB 4.49Å; I710-I724 HydrophobicContact CD1-CD1 4.1Å; I710-I724 HydrophobicContact CD1-CG1 4.23Å; I710-I724 HydrophobicContact CD1-CG2 3.51Å; I710-I724 HydrophobicContact CG1-CG2 4.07Å; I710-I733 PolarHBondContact N-O 2.91Å; I710-V734 CarbonylContact O-C 3.27Å; I710-V734 VanDerWaalsContact O-CA 3.28Å; I710-V734 WeakPolarHBondContact O-CA 3.46Å; I710-I735 PolarHBondContact O-N 3.02Å
711	Q	93.8	Very high	91.1	Very high	70 Å²	70	50.6 Å²	50.6	33%	0.327	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	152.5	167.4	-151.6	173.5	7.8	0	0	111.7	Y691 K720 I735 D737	Y691-Q711 HydrophobicContact CD1-CB 3.72Å; Y691-Q711 HydrophobicContact CD1-CG 4.34Å; Y691-Q711 HydrophobicContact CE1-CB 3.68Å; Y691-Q711 HydrophobicContact CE1-CG 4.03Å; Y691-Q711 HydrophobicContact CG-CB 4.29Å; Y691-Q711 PolarHBondContact O-N 3.09Å; Q711-K720 PolarHBondContact O-NZ 2.62Å; Q711-I735 CarbonylContact C-O 3.51Å; Q711-I735 WeakPolarHBondContact CA-O 3.3Å; Q711-D737 HydrophobicContact CG-CB 4.14Å
712	R	89.7	Confident	91.3	Very high	91 Å²	91	43.9 Å²	43.9	34%	0.343	23%	0.227	S	C	.	.			trans	-56.9	162.1	157.3	-170.8	174.1	174	-161.1	-4.6	110.2	F717 V734 I735 D736 D737	R712-F717 HydrophobicContact CG-CE1 4.28Å; R712-F717 HydrophobicContact CG-CZ 4.47Å; R712-V734 HydrophobicContact CB-CG1 4.38Å; R712-I735 PolarHBondContact N-O 3.35Å; R712-D736 WeakPolarHBondContact CD-OD1 3.16Å; R712-D736 IonicContact CZ-OD1 3.79Å; R712-D736 IonicContact NE-OD1 2.7Å; R712-D736 IonicContact NH1-OD1 3.16Å; R712-D736 PolarHBondContact NH1-OD1 3.29Å; R712-D737 HydrophobicContact CB-CB 4.19Å; R712-D737 WeakPolarHBondContact CD-OD1 3.01Å; R712-D737 WeakPolarHBondContact CG-OD1 3.4Å; R712-D737 IonicContact NE-OD1 3.68Å
713	G	81.4	Confident	91.5	Very high	23 Å²	23	43 Å²	43	24%	0.237	22%	0.217	C	C	.	.			trans	165.7	-169.5	-178.8	0	0	0	0	0	111.3	C715 D737	G713-C715 PolarHBondContact O-N 3.19Å; G713-D737 PolarHBondContact N-OD2 2.79Å
714	Q	76.4	Confident	91.6	Very high	196 Å²	196	43 Å²	43	92%	0.916	22%	0.217	S	C	*	.	S	Bend	trans	-71.6	-0.4	-164.8	-54.2	-60.5	-44.3	0	0	116.4
715	C	84.4	Confident	91.7	Very high	18 Å²	18	39.4 Å²	39.4	12%	0.122	20%	0.199	C	C	.	.	S	Bend	trans	-109.2	155.5	178.2	64.7	0	0	0	0	112.1	C694 G713 E719 K720	C694-C715 WeakPolarHBondContact CA-SG 3.38Å; C694-C715 HydrophobicContact CB-CB 3.61Å; C694-C715 WeakPolarHBondContact CB-SG 3.44Å; C694-C715 WeakPolarHBondContact SG-CB 3.28Å; C694-C715 CovalentContact SG-SG 2.03Å; C694-C715 PolarHBondContact SG-SG 3.06Å; G713-C715 PolarHBondContact O-N 3.19Å; C715-E719 WeakPolarHBondContact CB-OE2 3.49Å; C715-K720 WeakPolarHBondContact O-CE 3.5Å; C715-K720 VanDerWaalsContact SG-CE 3.6Å; C715-K720 VanDerWaalsContact SG-CG 3.6Å
716	M	86.3	Confident	91.8	Very high	92 Å²	92	43.3 Å²	43.3	45%	0.453	21%	0.209	S	C	.	.			trans	-68.8	147.6	-174.4	-62.3	-60.7	-75.8	0	0	112.3	A718 E719 K720 G753 D754	M716-A718 VanDerWaalsContact C-N 3.31Å; M716-A718 PolarHBondContact O-N 2.8Å; M716-E719 WeakPolarHBondContact O-CB 3.48Å; M716-E719 PolarHBondContact O-N 3.42Å; M716-K720 PolarHBondContact O-N 2.77Å; M716-G753 VanDerWaalsContact CE-O 3.31Å; M716-G753 WeakPolarHBondContact CE-O 3.46Å; M716-D754 HydrophobicContact CB-CB 3.67Å; M716-D754 HydrophobicContact CG-CB 3.91Å
717	F	92.2	Very high	91.7	Very high	32 Å²	32	40.2 Å²	40.2	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-36.1	-176.2	-59.1	-72.4	0	0	0	113.5	F671 R712 E719 K720 A721 V734 F749 M751 F767	F671-F717 HydrophobicContact CE1-CB 4.12Å; F671-F717 HydrophobicContact CZ-CB 3.66Å; R712-F717 HydrophobicContact CG-CE1 4.28Å; R712-F717 HydrophobicContact CG-CZ 4.47Å; F717-E719 VanDerWaalsContact C-N 3.31Å; F717-E719 PolarHBondContact O-N 3.04Å; F717-K720 HydrophobicContact CD1-CD 4.39Å; F717-K720 PolarHBondContact O-N 3.43Å; F717-A721 PolarHBondContact O-N 2.92Å; F717-A721 VanDerWaalsContact O-N 3.08Å; F717-V734 HydrophobicContact CD1-CG1 4.06Å; F717-V734 HydrophobicContact CD1-CG2 4.4Å; F717-V734 HydrophobicContact CE1-CG1 3.95Å; F717-F749 HydrophobicContact CE2-CE2 4.4Å; F717-F749 HydrophobicContact CZ-CE2 4.25Å; F717-M751 HydrophobicContact CB-CB 4Å; F717-M751 HydrophobicContact CB-CG 4.31Å; F717-M751 HydrophobicContact CB-SD 3.98Å; F717-M751 HydrophobicContact CD1-CG 3.95Å; F717-M751 HydrophobicContact CD1-SD 3.41Å; F717-M751 WeakPolarHBondContact CD1-SD 3.37Å; F717-M751 HydrophobicContact CD2-CB 3.78Å; F717-M751 HydrophobicContact CD2-CG 3.87Å; F717-M751 HydrophobicContact CD2-SD 4.37Å; F717-M751 HydrophobicContact CE1-CG 4.14Å; F717-M751 HydrophobicContact CE1-SD 3.88Å; F717-M751 HydrophobicContact CE2-CB 4.34Å; F717-M751 HydrophobicContact CE2-CG 4.06Å; F717-M751 HydrophobicContact CG-CB 3.88Å; F717-M751 HydrophobicContact CG-CG 3.8Å; F717-M751 HydrophobicContact CG-SD 3.69Å; F717-M751 HydrophobicContact CZ-CG 4.19Å; F717-F767 HydrophobicContact CE1-CD2 4.46Å
718	A	89.1	Confident	91.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-31	175	0	0	0	0	0	113.2	F671 M716 A721 R722 D754 T758 I761	F671-A718 HydrophobicContact CD1-CB 4.25Å; F671-A718 HydrophobicContact CD2-CB 4.29Å; F671-A718 HydrophobicContact CE1-CB 4.22Å; F671-A718 HydrophobicContact CE2-CB 4.24Å; F671-A718 HydrophobicContact CG-CB 4.31Å; F671-A718 HydrophobicContact CZ-CB 4.23Å; M716-A718 VanDerWaalsContact C-N 3.31Å; M716-A718 PolarHBondContact O-N 2.8Å; A718-A721 PolarHBondContact O-N 2.98Å; A718-R722 WeakPolarHBondContact O-CG 3.48Å; A718-R722 PolarHBondContact O-N 3.31Å; A718-R722 VanDerWaalsContact O-N 3.08Å; A718-D754 HydrophobicContact CB-CB 4.19Å; A718-T758 HydrophobicContact CB-CG2 4.13Å; A718-I761 HydrophobicContact CB-CD1 3.74Å; A718-I761 WeakPolarHBondContact O-CD1 3.44Å
719	E	90.3	Very high	91.5	Very high	81 Å²	81	42 Å²	42	38%	0.379	22%	0.215	S	C	.	.	H	α-helix	trans	-69.1	-45.7	175.6	-173.5	174.8	-163.6	0	0	111.1	C715 M716 F717 A721 R722 N723	C715-E719 WeakPolarHBondContact CB-OE2 3.49Å; M716-E719 WeakPolarHBondContact O-CB 3.48Å; M716-E719 PolarHBondContact O-N 3.42Å; F717-E719 VanDerWaalsContact C-N 3.31Å; F717-E719 PolarHBondContact O-N 3.04Å; E719-A721 VanDerWaalsContact C-N 3.28Å; E719-A721 PolarHBondContact O-N 3.28Å; E719-R722 PolarHBondContact O-N 3.07Å; E719-N723 PolarHBondContact O-N 2.88Å; E719-N723 PolarHBondContact O-ND2 3.26Å
720	K	93.4	Very high	91.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-55.4	-44.6	172.4	-58.9	171.2	-171.9	-84.5	0	111.5	N692 I710 Q711 C715 M716 F717 N723 I724	N692-K720 PolarHBondContact O-NZ 2.71Å; I710-K720 HydrophobicContact CD1-CB 3.93Å; I710-K720 HydrophobicContact CG2-CD 4.3Å; Q711-K720 PolarHBondContact O-NZ 2.62Å; C715-K720 WeakPolarHBondContact O-CE 3.5Å; C715-K720 VanDerWaalsContact SG-CE 3.6Å; C715-K720 VanDerWaalsContact SG-CG 3.6Å; M716-K720 PolarHBondContact O-N 2.77Å; F717-K720 HydrophobicContact CD1-CD 4.39Å; F717-K720 PolarHBondContact O-N 3.43Å; K720-N723 PolarHBondContact O-N 2.77Å; K720-I724 PolarHBondContact O-N 2.71Å; K720-I724 VanDerWaalsContact O-N 3.09Å
721	A	94.3	Very high	91.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-42.6	179.9	0	0	0	0	0	112.8	F671 F717 A718 E719 I724 Q725 I761 M765	F671-A721 HydrophobicContact CD2-CB 4.42Å; F671-A721 HydrophobicContact CE2-CB 3.81Å; F717-A721 PolarHBondContact O-N 2.92Å; F717-A721 VanDerWaalsContact O-N 3.08Å; A718-A721 PolarHBondContact O-N 2.98Å; E719-A721 VanDerWaalsContact C-N 3.28Å; E719-A721 PolarHBondContact O-N 3.28Å; A721-I724 VanDerWaalsContact O-CG1 3.31Å; A721-I724 WeakPolarHBondContact O-CG1 3.48Å; A721-I724 PolarHBondContact O-N 2.81Å; A721-Q725 VanDerWaalsContact O-CB 3.27Å; A721-Q725 WeakPolarHBondContact O-CB 3.31Å; A721-Q725 PolarHBondContact O-N 2.03Å; A721-I761 HydrophobicContact CB-CD1 4.16Å; A721-I761 HydrophobicContact CB-CG2 3.98Å; A721-M765 HydrophobicContact CB-CE 3.99Å; A721-M765 HydrophobicContact CB-CG 3.77Å; A721-M765 HydrophobicContact CB-SD 3.75Å
722	R	94.2	Very high	91.6	Very high	39 Å²	39	41.8 Å²	41.8	15%	0.147	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-44.9	172.4	-70.9	170.2	-179.8	122.6	2.4	111.8	A718 E719 I724 Q725 N726 D754 D757 D760 I761	A718-R722 WeakPolarHBondContact O-CG 3.48Å; A718-R722 PolarHBondContact O-N 3.31Å; A718-R722 VanDerWaalsContact O-N 3.08Å; E719-R722 PolarHBondContact O-N 3.07Å; R722-I724 PolarHBondContact O-N 3.34Å; R722-Q725 PolarHBondContact O-N 3.5Å; R722-N726 WeakPolarHBondContact O-CB 3.48Å; R722-N726 PolarHBondContact O-N 3.47Å; R722-N726 PolarHBondContact O-ND2 2.93Å; R722-D754 IonicContact CZ-OD1 3.78Å; R722-D754 IonicContact NH1-OD1 2.94Å; R722-D754 PolarHBondContact NH1-OD1 2.96Å; R722-D754 IonicContact NH1-OD2 2.71Å; R722-D754 PolarHBondContact NH1-OD2 3.42Å; R722-D754 IonicContact NH2-OD1 3.29Å; R722-D757 PolarHBondContact NH2-O 3.07Å; R722-D760 WeakPolarHBondContact CD-OD2 3.34Å; R722-D760 WeakPolarHBondContact CG-OD2 3Å; R722-D760 IonicContact CZ-OD1 3.22Å; R722-D760 IonicContact CZ-OD2 2.62Å; R722-D760 IonicContact NE-OD1 2.77Å; R722-D760 PolarHBondContact NE-OD1 3.15Å; R722-D760 IonicContact NE-OD2 2.62Å; R722-D760 PolarHBondContact NE-OD2 3.37Å; R722-D760 IonicContact NH2-OD1 3.64Å; R722-D760 PolarHBondContact NH2-OD1 3.4Å; R722-D760 IonicContact NH2-OD2 3.06Å; R722-I761 HydrophobicContact CG-CD1 4.15Å; R722-I761 HydrophobicContact CG-CG1 3.88Å
723	N	94.3	Very high	91.9	Very high	23 Å²	23	37.4 Å²	37.4	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-42.8	-179.2	-68.5	-23.8	0	0	0	112.3	G693 S695 L697 E719 K720 A727	G693-N723 PolarHBondContact O-ND2 3.34Å; S695-N723 PolarHBondContact O-ND2 2.81Å; L697-N723 HydrophobicContact CD1-CB 4Å; E719-N723 PolarHBondContact O-N 2.88Å; E719-N723 PolarHBondContact O-ND2 3.26Å; K720-N723 PolarHBondContact O-N 2.77Å; N723-A727 PolarHBondContact O-N 3.39Å
724	I	95.6	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-74.5	-31.9	175.6	62.9	157	0	0	0	113.3	L697 A708 I710 K720 A721 R722 A727 G728 A729 I763 M765	L697-I724 HydrophobicContact CD1-CG2 4.01Å; L697-I724 HydrophobicContact CD2-CG2 4.1Å; A708-I724 HydrophobicContact CB-CB 3.94Å; A708-I724 HydrophobicContact CB-CD1 3.67Å; A708-I724 HydrophobicContact CB-CG1 4.41Å; A708-I724 HydrophobicContact CB-CG2 3.69Å; I710-I724 HydrophobicContact CD1-CB 4.49Å; I710-I724 HydrophobicContact CD1-CD1 4.1Å; I710-I724 HydrophobicContact CD1-CG1 4.23Å; I710-I724 HydrophobicContact CD1-CG2 3.51Å; I710-I724 HydrophobicContact CG1-CG2 4.07Å; K720-I724 PolarHBondContact O-N 2.71Å; K720-I724 VanDerWaalsContact O-N 3.09Å; A721-I724 VanDerWaalsContact O-CG1 3.31Å; A721-I724 WeakPolarHBondContact O-CG1 3.48Å; A721-I724 PolarHBondContact O-N 2.81Å; R722-I724 PolarHBondContact O-N 3.34Å; I724-A727 CarbonylContact O-C 3.58Å; I724-A727 WeakPolarHBondContact O-CB 3.47Å; I724-A727 PolarHBondContact O-N 3.35Å; I724-G728 PolarHBondContact O-N 2.93Å; I724-A729 HydrophobicContact CB-CB 3.92Å; I724-A729 HydrophobicContact CD1-CB 4.08Å; I724-A729 HydrophobicContact CG1-CB 4.26Å; I724-A729 WeakPolarHBondContact O-CB 3.26Å; I724-A729 PolarHBondContact O-N 3.01Å; I724-I763 HydrophobicContact CD1-CD1 3.58Å; I724-I763 HydrophobicContact CG1-CD1 3.76Å; I724-M765 HydrophobicContact CD1-CE 4.25Å; I724-M765 HydrophobicContact CD1-SD 3.82Å
725	Q	95.9	Very high	93.5	Very high	45 Å²	45	27.3 Å²	27.3	21%	0.21	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-42.5	175.2	-174.9	175.7	-90.5	0	0	110.8	A721 R722 A727 G728 D760 I763	A721-Q725 VanDerWaalsContact O-CB 3.27Å; A721-Q725 WeakPolarHBondContact O-CB 3.31Å; A721-Q725 PolarHBondContact O-N 2.03Å; R722-Q725 PolarHBondContact O-N 3.5Å; Q725-A727 PolarHBondContact O-N 3.07Å; Q725-G728 WeakPolarHBondContact O-CA 3.41Å; Q725-G728 PolarHBondContact O-N 3.43Å; Q725-D760 PolarHBondContact NE2-O 3.35Å; Q725-I763 HydrophobicContact CB-CD1 3.97Å; Q725-I763 HydrophobicContact CB-CG1 4.37Å; Q725-I763 HydrophobicContact CG-CG2 4.27Å
726	N	94.2	Very high	93.9	Very high	126 Å²	126	26.7 Å²	26.7	67%	0.674	14%	0.141	S	C	*	.	H	α-helix	trans	-64.9	-29.1	174.2	-67.7	-13	0	0	0	112.2	R722 G728	R722-N726 WeakPolarHBondContact O-CB 3.48Å; R722-N726 PolarHBondContact O-N 3.47Å; R722-N726 PolarHBondContact O-ND2 2.93Å; N726-G728 PolarHBondContact O-N 2.95Å
727	A	94.1	Very high	94.1	Very high	8 Å²	8	25.5 Å²	25.5	7%	0.066	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.8	170.5	0	0	0	0	0	114.2	L697 P700 N723 I724 Q725	L697-A727 HydrophobicContact CB-CB 4.19Å; L697-A727 HydrophobicContact CD2-CB 3.89Å; L697-A727 HydrophobicContact CG-CB 4.46Å; P700-A727 HydrophobicContact CB-CB 3.94Å; N723-A727 PolarHBondContact O-N 3.39Å; I724-A727 CarbonylContact O-C 3.58Å; I724-A727 WeakPolarHBondContact O-CB 3.47Å; I724-A727 PolarHBondContact O-N 3.35Å; Q725-A727 PolarHBondContact O-N 3.07Å
728	G	94.2	Very high	93.8	Very high	30 Å²	30	28.7 Å²	28.7	31%	0.309	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	20	177.6	0	0	0	0	0	115.3	M704 G705 I724 Q725 N726	M704-G728 WeakPolarHBondContact CA-O 3.19Å; G705-G728 PolarHBondContact N-O 3.22Å; I724-G728 PolarHBondContact O-N 2.93Å; Q725-G728 WeakPolarHBondContact O-CA 3.41Å; Q725-G728 PolarHBondContact O-N 3.43Å; N726-G728 PolarHBondContact O-N 2.95Å
729	A	96.4	Very high	93.6	Very high	7 Å²	7	37.3 Å²	37.3	6%	0.058	20%	0.195	C	C	.	.			trans	-61.8	150.9	170.5	0	0	0	0	0	111.5	V703 K706 A708 I724	V703-A729 HydrophobicContact CG1-CB 3.9Å; K706-A729 WeakPolarHBondContact O-CA 3.38Å; A708-A729 HydrophobicContact CB-CB 4.23Å; I724-A729 HydrophobicContact CB-CB 3.92Å; I724-A729 HydrophobicContact CD1-CB 4.08Å; I724-A729 HydrophobicContact CG1-CB 4.26Å; I724-A729 WeakPolarHBondContact O-CB 3.26Å; I724-A729 PolarHBondContact O-N 3.01Å
730	I	94.9	Very high	93.1	Very high	66 Å²	66	36.5 Å²	36.5	34%	0.338	21%	0.208	S	C	.	.	S	Bend	trans	-99.2	-3.4	173.9	60.9	167.3	0	0	0	113.2	R682 K706 I707 P764	R682-I730 WeakPolarHBondContact O-CD1 3.4Å; K706-I730 WeakPolarHBondContact O-CG1 3.08Å; K706-I730 PolarHBondContact O-N 3.4Å; I707-I730 HydrophobicContact CG1-CG1 4.27Å; I730-P764 WeakPolarHBondContact O-CD 3.44Å
731	G	95.3	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	167.9	-179.9	0	0	0	0	0	110.5	I707 A708 P764	I707-G731 WeakPolarHBondContact CA-O 3.47Å; A708-G731 PolarHBondContact N-O 3.34Å; G731-P764 WeakPolarHBondContact CA-O 3.41Å
732	G	96.1	Very high	92.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.2	178.1	0	0	0	0	0	113.9	A708 P764 M765 L766	A708-G732 WeakPolarHBondContact O-CA 3.5Å; G732-P764 PolarHBondContact N-O 3.25Å; G732-M765 WeakPolarHBondContact O-CA 3.4Å; G732-L766 PolarHBondContact O-N 3.27Å
733	I	97.3	Very high	92	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.9	169.8	-57.9	172.8	0	0	0	107.5	V651 I707 A708 L709 I710 I735 L766 L768 I776 V788 L790	V651-I733 HydrophobicContact CG1-CD1 3.88Å; V651-I733 HydrophobicContact CG2-CD1 4.18Å; I707-I733 HydrophobicContact CG2-CD1 4.06Å; I707-I733 HydrophobicContact CG2-CG1 3.96Å; A708-I733 PolarHBondContact O-N 3.32Å; L709-I733 HydrophobicContact CD2-CB 3.82Å; L709-I733 HydrophobicContact CD2-CD1 3.95Å; L709-I733 HydrophobicContact CD2-CG1 4.32Å; L709-I733 HydrophobicContact CD2-CG2 4.41Å; I710-I733 PolarHBondContact N-O 2.91Å; I733-I735 HydrophobicContact CG2-CG1 4.3Å; I733-L766 CarbonylContact C-O 3.02Å; I733-L766 WeakPolarHBondContact CA-O 3.27Å; I733-L768 HydrophobicContact CG2-CB 4.39Å; I733-L768 HydrophobicContact CG2-CD1 3.72Å; I733-L768 HydrophobicContact CG2-CG 3.82Å; I733-I776 HydrophobicContact CD1-CD1 3.96Å; I733-V788 HydrophobicContact CD1-CG2 4.44Å; I733-L790 HydrophobicContact CD1-CD2 3.95Å; I733-L790 HydrophobicContact CG1-CD2 4.09Å
734	V	96.4	Very high	91.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.3	172.2	-173.1	0	0	0	0	108.8	I710 R712 F717 M751 M765 L766 F767 L768	I710-V734 CarbonylContact O-C 3.27Å; I710-V734 VanDerWaalsContact O-CA 3.28Å; I710-V734 WeakPolarHBondContact O-CA 3.46Å; R712-V734 HydrophobicContact CB-CG1 4.38Å; F717-V734 HydrophobicContact CD1-CG1 4.06Å; F717-V734 HydrophobicContact CD1-CG2 4.4Å; F717-V734 HydrophobicContact CE1-CG1 3.95Å; V734-M751 HydrophobicContact CB-SD 3.91Å; V734-M751 HydrophobicContact CG2-CE 4.32Å; V734-M751 HydrophobicContact CG2-SD 3.82Å; V734-M765 HydrophobicContact CG2-CE 3.91Å; V734-L766 PolarHBondContact N-O 3.01Å; V734-F767 HydrophobicContact CB-CD2 4.25Å; V734-F767 HydrophobicContact CG1-CD2 4.33Å; V734-F767 CarbonylContact O-C 3.51Å; V734-F767 WeakPolarHBondContact O-CA 3.34Å; V734-F767 WeakPolarHBondContact O-CD2 3.46Å; V734-L768 PolarHBondContact O-N 2.79Å
735	I	95.3	Very high	90.4	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.9	177.4	-63.7	169.8	0	0	0	109	I710 Q711 R712 I733 L768 L777	I710-I735 PolarHBondContact O-N 3.02Å; Q711-I735 CarbonylContact C-O 3.51Å; Q711-I735 WeakPolarHBondContact CA-O 3.3Å; R712-I735 PolarHBondContact N-O 3.35Å; I733-I735 HydrophobicContact CG2-CG1 4.3Å; I735-L768 WeakPolarHBondContact CA-O 3.28Å; I735-L777 HydrophobicContact CD1-CD1 4.16Å; I735-L777 HydrophobicContact CD1-CD2 4.42Å; I735-L777 HydrophobicContact CD1-CG 4.14Å
736	D	93	Very high	89.4	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.032	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-58.3	148.8	178.9	-158.3	28.4	0	0	0	113.5	R712 S741 F767 L768	R712-D736 WeakPolarHBondContact CD-OD1 3.16Å; R712-D736 IonicContact CZ-OD1 3.79Å; R712-D736 IonicContact NE-OD1 2.7Å; R712-D736 IonicContact NH1-OD1 3.16Å; R712-D736 PolarHBondContact NH1-OD1 3.29Å; D736-S741 VanDerWaalsContact OD2-CB 3.31Å; D736-S741 WeakPolarHBondContact OD2-CB 3.49Å; D736-S741 PolarHBondContact OD2-OG 2.84Å; D736-F767 HydrophobicContact CB-CE1 4.47Å; D736-F767 HydrophobicContact CB-CE2 4.18Å; D736-F767 HydrophobicContact CB-CZ 3.61Å; D736-L768 PolarHBondContact N-O 2.85Å
737	D	88.8	Confident	88.3	Confident	67 Å²	67	44.4 Å²	44.4	36%	0.358	27%	0.272	S	S	.	.	S	Bend	trans	-98.3	-3.2	177.3	54.8	-5	0	0	0	113.7	Q711 R712 G713	Q711-D737 HydrophobicContact CG-CB 4.14Å; R712-D737 HydrophobicContact CB-CB 4.19Å; R712-D737 WeakPolarHBondContact CD-OD1 3.01Å; R712-D737 WeakPolarHBondContact CG-OD1 3.4Å; R712-D737 IonicContact NE-OD1 3.68Å; G713-D737 PolarHBondContact N-OD2 2.79Å
738	N	87.2	Confident	87.5	Confident	99 Å²	99	46 Å²	46	53%	0.529	28%	0.28	S	S	.	.	S	Bend	trans	-91.1	105.2	173.8	-176.9	74.9	0	0	0	111.2	S741 S770	N738-S741 WeakPolarHBondContact O-CB 3.31Å; N738-S741 PolarHBondContact O-N 2.94Å; N738-S741 PolarHBondContact O-OG 3.35Å; N738-S741 VanDerWaalsContact O-OG 3.06Å; N738-S770 VanDerWaalsContact O-CB 3.27Å; N738-S770 WeakPolarHBondContact O-CB 3.22Å
739	E	84.1	Confident	86.6	Confident	180 Å²	180	47.5 Å²	47.5	84%	0.841	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	139.7	179.7	-64.3	-174.1	161.2	0	0	112.2	S741	E739-S741 VanDerWaalsContact C-N 3.3Å; E739-S741 PolarHBondContact O-N 3.23Å
740	G	79.9	Confident	85.9	Confident	64 Å²	64	49.1 Å²	49.1	66%	0.66	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-0.4	-179.4	0	0	0	0	0	115.8
741	S	86.8	Confident	85.5	Confident	9 Å²	9	46 Å²	46	6%	0.063	27%	0.268	C	S	.	.			trans	-66.5	144.6	170.5	66.9	0	0	0	0	111.7	D736 N738 E739 S770 K771	D736-S741 VanDerWaalsContact OD2-CB 3.31Å; D736-S741 WeakPolarHBondContact OD2-CB 3.49Å; D736-S741 PolarHBondContact OD2-OG 2.84Å; N738-S741 WeakPolarHBondContact O-CB 3.31Å; N738-S741 PolarHBondContact O-N 2.94Å; N738-S741 PolarHBondContact O-OG 3.35Å; N738-S741 VanDerWaalsContact O-OG 3.06Å; E739-S741 VanDerWaalsContact C-N 3.3Å; E739-S741 PolarHBondContact O-N 3.23Å; S741-S770 PolarHBondContact O-N 3.33Å; S741-S770 WeakPolarHBondContact OG-CB 3.39Å; S741-S770 PolarHBondContact OG-N 3.02Å; S741-K771 WeakPolarHBondContact O-CB 3.32Å; S741-K771 PolarHBondContact O-N 3.4Å
742	S	88	Confident	84.7	Confident	2 Å²	2	48 Å²	48	1%	0.014	28%	0.284	C	S	.	.			trans	-152.3	154.8	176.5	176.5	0	0	0	0	111.6	D744 T745 A746 F769 K771 E772	S742-D744 PolarHBondContact O-N 3.28Å; S742-D744 PolarHBondContact OG-N 3.17Å; S742-D744 VanDerWaalsContact OG-N 3.14Å; S742-D744 PolarHBondContact OG-OD2 3.25Å; S742-T745 PolarHBondContact O-N 3.47Å; S742-T745 VanDerWaalsContact O-N 3.14Å; S742-T745 PolarHBondContact O-OG1 2.94Å; S742-A746 PolarHBondContact O-N 3.06Å; S742-F769 VanDerWaalsContact C-CD2 3.44Å; S742-K771 WeakPolarHBondContact OG-CD 3.29Å; S742-E772 WeakPolarHBondContact CA-OE2 3.39Å; S742-E772 PolarHBondContact OG-OE1 3.02Å
743	S	84.4	Confident	83.9	Confident	29 Å²	29	48.9 Å²	48.9	20%	0.203	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18	169.1	61.9	0	0	0	0	113.8	F769 E772	S743-F769 VanDerWaalsContact N-CD2 3.31Å; S743-E772 WeakPolarHBondContact CB-OE1 3.47Å; S743-E772 PolarHBondContact N-OE1 3.39Å; S743-E772 PolarHBondContact OG-OE1 3.04Å
744	D	80.1	Confident	83	Confident	119 Å²	119	50 Å²	50	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-29.3	172	-57.5	-37.3	0	0	0	112.7	S742 K771	S742-D744 PolarHBondContact O-N 3.28Å; S742-D744 PolarHBondContact OG-N 3.17Å; S742-D744 VanDerWaalsContact OG-N 3.14Å; S742-D744 PolarHBondContact OG-OD2 3.25Å; D744-K771 IonicContact OD2-NZ 2.87Å; D744-K771 PolarHBondContact OD2-NZ 3.36Å
745	T	75.7	Confident	81.8	Confident	110 Å²	110	54 Å²	54	68%	0.675	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-17.6	-166.5	57.7	0	0	0	0	114.3	S742	S742-T745 PolarHBondContact O-N 3.47Å; S742-T745 VanDerWaalsContact O-N 3.14Å; S742-T745 PolarHBondContact O-OG1 2.94Å
746	A	74.5	Confident	80.7	Confident	31 Å²	31	60.7 Å²	60.7	26%	0.256	37%	0.37	S	S	.	.	S	Bend	trans	-129.6	138	177.6	0	0	0	0	0	111.1	S742 L748 F769	S742-A746 PolarHBondContact O-N 3.06Å; A746-L748 PolarHBondContact O-N 3.1Å; A746-F769 HydrophobicContact CB-CE1 4.01Å; A746-F769 HydrophobicContact CB-CE2 4.25Å; A746-F769 HydrophobicContact CB-CZ 3.69Å
747	P	72.8	Confident	79.9	Confident	99 Å²	99	66.1 Å²	66.1	64%	0.643	40%	0.399	S	S	*	.			trans	-63.7	133.7	176.6	27.5	-34.2	0	0	0	110.4	F749	P747-F749 PolarHBondContact O-N 3.29Å
748	L	76.8	Confident	79.8	Confident	43 Å²	43	64.4 Å²	64.4	23%	0.225	39%	0.39	C	S	.	.			trans	-59.9	135	173.8	-67	162.5	0	0	0	110.3	P648 T665 A746 F769	P648-L748 HydrophobicContact CB-CD1 3.74Å; T665-L748 HydrophobicContact CG2-CD1 3.71Å; A746-L748 PolarHBondContact O-N 3.1Å; L748-F769 HydrophobicContact CD2-CD2 4.22Å; L748-F769 HydrophobicContact CD2-CE2 3.83Å; L748-F769 HydrophobicContact CG-CE2 4.48Å
749	F	75.6	Confident	79.7	Confident	60 Å²	60	65.2 Å²	65.2	26%	0.263	40%	0.395	S	S	.	.			trans	-116.6	157.3	173.1	64.8	-89	0	0	0	110.3	F717 P747 F767 F769	F717-F749 HydrophobicContact CE2-CE2 4.4Å; F717-F749 HydrophobicContact CZ-CE2 4.25Å; P747-F749 PolarHBondContact O-N 3.29Å; F749-F767 HydrophobicContact CD1-CE1 4.49Å; F749-F767 HydrophobicContact CE1-CD1 4.09Å; F749-F767 AromaticContact CE1-CE1 3.48Å; F749-F767 HydrophobicContact CE1-CE1 3.48Å; F749-F767 VanDerWaalsContact CE1-CE1 3.48Å; F749-F767 AromaticContact CE1-CZ 3.77Å; F749-F767 HydrophobicContact CE1-CZ 3.77Å; F749-F767 HydrophobicContact CE2-CE1 4.47Å; F749-F767 HydrophobicContact CE2-CZ 4.47Å; F749-F767 AromaticContact CZ-CD1 3.93Å; F749-F767 HydrophobicContact CZ-CD1 3.93Å; F749-F767 HydrophobicContact CZ-CD2 4.22Å; F749-F767 AromaticContact CZ-CE1 3.47Å; F749-F767 HydrophobicContact CZ-CE1 3.47Å; F749-F767 VanDerWaalsContact CZ-CE1 3.47Å; F749-F767 AromaticContact CZ-CE2 3.81Å; F749-F767 HydrophobicContact CZ-CE2 3.81Å; F749-F767 HydrophobicContact CZ-CG 4.28Å; F749-F767 AromaticContact CZ-CZ 3.4Å; F749-F767 HydrophobicContact CZ-CZ 3.4Å; F749-F769 HydrophobicContact CD1-CE1 4.45Å; F749-F769 HydrophobicContact CD1-CZ 4.26Å; F749-F769 AromaticContact CE1-CE1 3.95Å; F749-F769 HydrophobicContact CE1-CE1 3.95Å; F749-F769 HydrophobicContact CE1-CZ 4.18Å
750	Q	81.3	Confident	79.9	Confident	42 Å²	42	60.3 Å²	60.3	20%	0.196	38%	0.375	C	S	.	.			trans	-89.3	134.9	175.1	-163.9	-178.2	16.4	0	0	110.5	P668 A669 Q670 A752	P668-Q750 HydrophobicContact CB-CG 4.29Å; P668-Q750 HydrophobicContact CG-CB 4.47Å; P668-Q750 HydrophobicContact CG-CG 4.05Å; P668-Q750 CarbonylContact O-C 3.58Å; P668-Q750 VanDerWaalsContact O-CA 3.28Å; P668-Q750 WeakPolarHBondContact O-CA 3.46Å; P668-Q750 VanDerWaalsContact O-CG 3.29Å; P668-Q750 WeakPolarHBondContact O-CG 3.48Å; A669-Q750 VanDerWaalsContact C-NE2 3.31Å; A669-Q750 PolarHBondContact O-NE2 2.9Å; Q670-Q750 HydrophobicContact CG-CG 3.72Å; Q750-A752 PolarHBondContact O-N 3.46Å
751	M	85.4	Confident	80.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-68	113.9	173	-69.3	-171.6	-66.1	0	0	110.3	P668 A669 Q670 F671 F717 V734 M765 L766 F767	P668-M751 PolarHBondContact O-N 3.46Å; A669-M751 HydrophobicContact CB-CB 4.26Å; A669-M751 HydrophobicContact CB-CE 4.06Å; Q670-M751 PolarHBondContact N-O 3.31Å; F671-M751 HydrophobicContact CE1-CB 4.17Å; F671-M751 VanDerWaalsContact CE1-O 3.28Å; F671-M751 WeakPolarHBondContact CE1-O 3.41Å; F671-M751 HydrophobicContact CZ-CB 4.29Å; F717-M751 HydrophobicContact CB-CB 4Å; F717-M751 HydrophobicContact CB-CG 4.31Å; F717-M751 HydrophobicContact CB-SD 3.98Å; F717-M751 HydrophobicContact CD1-CG 3.95Å; F717-M751 HydrophobicContact CD1-SD 3.41Å; F717-M751 WeakPolarHBondContact CD1-SD 3.37Å; F717-M751 HydrophobicContact CD2-CB 3.78Å; F717-M751 HydrophobicContact CD2-CG 3.87Å; F717-M751 HydrophobicContact CD2-SD 4.37Å; F717-M751 HydrophobicContact CE1-CG 4.14Å; F717-M751 HydrophobicContact CE1-SD 3.88Å; F717-M751 HydrophobicContact CE2-CB 4.34Å; F717-M751 HydrophobicContact CE2-CG 4.06Å; F717-M751 HydrophobicContact CG-CB 3.88Å; F717-M751 HydrophobicContact CG-CG 3.8Å; F717-M751 HydrophobicContact CG-SD 3.69Å; F717-M751 HydrophobicContact CZ-CG 4.19Å; V734-M751 HydrophobicContact CB-SD 3.91Å; V734-M751 HydrophobicContact CG2-CE 4.32Å; V734-M751 HydrophobicContact CG2-SD 3.82Å; M751-M765 HydrophobicContact CE-CB 4.03Å; M751-L766 VanDerWaalsContact CE-C 3.41Å; M751-L766 WeakPolarHBondContact CE-O 3.37Å; M751-F767 HydrophobicContact CE-CB 4.1Å; M751-F767 HydrophobicContact CG-CB 3.96Å; M751-F767 HydrophobicContact CG-CD2 4.39Å; M751-F767 HydrophobicContact CG-CG 4.44Å; M751-F767 HydrophobicContact SD-CB 3.89Å; M751-F767 HydrophobicContact SD-CD2 4.14Å; M751-F767 HydrophobicContact SD-CG 4.47Å
752	A	79.8	Confident	80.8	Confident	41 Å²	41	63 Å²	63	34%	0.339	37%	0.367	S	S	.	.			trans	-78.9	153.6	178.8	0	0	0	0	0	113.2	F671 Q750	F671-A752 WeakPolarHBondContact CE1-O 2.85Å; Q750-A752 PolarHBondContact O-N 3.46Å
753	G	78.1	Confident	81.1	Confident	19 Å²	19	63.5 Å²	63.5	20%	0.196	37%	0.37	C	S	.	.			trans	-70.2	173.3	175.3	0	0	0	0	0	113.7	M716 G755	M716-G753 VanDerWaalsContact CE-O 3.31Å; M716-G753 WeakPolarHBondContact CE-O 3.46Å; G753-G755 VanDerWaalsContact C-N 3.28Å; G753-G755 PolarHBondContact O-N 2.84Å
754	D	78.8	Confident	81.6	Confident	25 Å²	25	62.3 Å²	62.3	13%	0.134	36%	0.361	C	S	.	.			trans	-89.3	22.4	-178.4	70.7	-48.7	0	0	0	114.4	M716 A718 R722 K756	M716-D754 HydrophobicContact CB-CB 3.67Å; M716-D754 HydrophobicContact CG-CB 3.91Å; A718-D754 HydrophobicContact CB-CB 4.19Å; R722-D754 IonicContact CZ-OD1 3.78Å; R722-D754 IonicContact NH1-OD1 2.94Å; R722-D754 PolarHBondContact NH1-OD1 2.96Å; R722-D754 IonicContact NH1-OD2 2.71Å; R722-D754 PolarHBondContact NH1-OD2 3.42Å; R722-D754 IonicContact NH2-OD1 3.29Å; D754-K756 PolarHBondContact O-N 3.28Å; D754-K756 VanDerWaalsContact O-N 3.16Å; D754-K756 WeakPolarHBondContact OD2-CD 3.33Å; D754-K756 WeakPolarHBondContact OD2-CG 3.33Å; D754-K756 IonicContact OD2-NZ 3.74Å; D754-K756 PolarHBondContact OD2-NZ 2.99Å
755	G	70.8	Confident	82.2	Confident	84 Å²	84	56.9 Å²	56.9	87%	0.866	33%	0.332	S	S	*	.	S	Bend	trans	70.9	1.1	-178.4	0	0	0	0	0	115.1	G753	G753-G755 VanDerWaalsContact C-N 3.28Å; G753-G755 PolarHBondContact O-N 2.84Å
756	K	74.1	Confident	83.2	Confident	146 Å²	146	51.8 Å²	51.8	64%	0.635	30%	0.301	S	S	*	.	S	Bend	trans	-93.9	174.4	168.5	-53.8	-167.7	-167	87.1	0	109.9	D754	D754-K756 PolarHBondContact O-N 3.28Å; D754-K756 VanDerWaalsContact O-N 3.16Å; D754-K756 WeakPolarHBondContact OD2-CD 3.33Å; D754-K756 WeakPolarHBondContact OD2-CG 3.33Å; D754-K756 IonicContact OD2-NZ 3.74Å; D754-K756 PolarHBondContact OD2-NZ 2.99Å
757	D	76.1	Confident	84.1	Confident	120 Å²	120	50.4 Å²	50.4	64%	0.642	29%	0.289	S	S	*	.			trans	-56.5	144.4	158.8	-165.2	-10.9	0	0	0	109.4	R722 D759	R722-D757 PolarHBondContact NH2-O 3.07Å; D757-D759 WeakPolarHBondContact OD1-CB 3.04Å; D757-D759 PolarHBondContact OD1-N 3.09Å
758	T	85.7	Confident	85.2	Confident	30 Å²	30	45.7 Å²	45.7	18%	0.184	26%	0.258	C	S	.	.			trans	-127.8	8.2	-179.3	54.4	0	0	0	0	112.9	F671 A718 D760 I761	F671-T758 HydrophobicContact CB-CG2 4.1Å; A718-T758 HydrophobicContact CB-CG2 4.13Å; T758-D760 PolarHBondContact O-N 3.25Å; T758-I761 HydrophobicContact CG2-CD1 4.41Å; T758-I761 PolarHBondContact O-N 2.9Å
759	D	85.5	Confident	86.1	Confident	116 Å²	116	44 Å²	44	62%	0.62	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-12.1	172.5	-105.6	0.1	0	0	0	113.2	D757 I761 K762	D757-D759 WeakPolarHBondContact OD1-CB 3.04Å; D757-D759 PolarHBondContact OD1-N 3.09Å; D759-I761 VanDerWaalsContact C-N 3.3Å; D759-K762 WeakPolarHBondContact O-CE 3.33Å; D759-K762 PolarHBondContact O-NZ 2.99Å
760	D	88.9	Confident	86.9	Confident	78 Å²	78	42.5 Å²	42.5	42%	0.417	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18	172.7	71.4	-58.1	0	0	0	113.6	R722 Q725 T758	R722-D760 WeakPolarHBondContact CD-OD2 3.34Å; R722-D760 WeakPolarHBondContact CG-OD2 3Å; R722-D760 IonicContact CZ-OD1 3.22Å; R722-D760 IonicContact CZ-OD2 2.62Å; R722-D760 IonicContact NE-OD1 2.77Å; R722-D760 PolarHBondContact NE-OD1 3.15Å; R722-D760 IonicContact NE-OD2 2.62Å; R722-D760 PolarHBondContact NE-OD2 3.37Å; R722-D760 IonicContact NH2-OD1 3.64Å; R722-D760 PolarHBondContact NH2-OD1 3.4Å; R722-D760 IonicContact NH2-OD2 3.06Å; Q725-D760 PolarHBondContact NE2-O 3.35Å; T758-D760 PolarHBondContact O-N 3.25Å
761	I	92.4	Very high	87.5	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	26%	0.258	C	S	.	.			trans	-90.5	116.8	179.3	-51.2	170.6	0	0	0	108.9	F671 G672 A718 A721 R722 T758 D759 I763	F671-I761 HydrophobicContact CB-CD1 4.34Å; F671-I761 HydrophobicContact CD2-CD1 3.56Å; F671-I761 HydrophobicContact CD2-CG2 4.23Å; F671-I761 HydrophobicContact CE2-CD1 4.23Å; F671-I761 HydrophobicContact CG-CD1 4.15Å; G672-I761 WeakPolarHBondContact CA-O 3.38Å; A718-I761 HydrophobicContact CB-CD1 3.74Å; A718-I761 WeakPolarHBondContact O-CD1 3.44Å; A721-I761 HydrophobicContact CB-CD1 4.16Å; A721-I761 HydrophobicContact CB-CG2 3.98Å; R722-I761 HydrophobicContact CG-CD1 4.15Å; R722-I761 HydrophobicContact CG-CG1 3.88Å; T758-I761 HydrophobicContact CG2-CD1 4.41Å; T758-I761 PolarHBondContact O-N 2.9Å; D759-I761 VanDerWaalsContact C-N 3.3Å; I761-I763 HydrophobicContact CG2-CG1 4.27Å
762	K	92.1	Very high	87.9	Confident	125 Å²	125	46 Å²	46	54%	0.543	26%	0.26	S	S	.	.			trans	-118.2	-2.5	-175.3	-60.2	-52	-169.1	-158.3	0	114.4	D759	D759-K762 WeakPolarHBondContact O-CE 3.33Å; D759-K762 PolarHBondContact O-NZ 2.99Å
763	I	93.9	Very high	88.5	Confident	14 Å²	14	44 Å²	44	7%	0.072	24%	0.244	C	C	.	.	S	Bend	trans	-91.8	151.1	172.5	61.5	171.2	0	0	0	111.7	G672 L673 I724 Q725 I761 M765	G672-I763 CarbonylContact C-O 3.6Å; G672-I763 WeakPolarHBondContact CA-O 3.48Å; L673-I763 PolarHBondContact N-O 3.06Å; I724-I763 HydrophobicContact CD1-CD1 3.58Å; I724-I763 HydrophobicContact CG1-CD1 3.76Å; Q725-I763 HydrophobicContact CB-CD1 3.97Å; Q725-I763 HydrophobicContact CB-CG1 4.37Å; Q725-I763 HydrophobicContact CG-CG2 4.27Å; I761-I763 HydrophobicContact CG2-CG1 4.27Å; I763-M765 HydrophobicContact CD1-SD 4.01Å; I763-M765 HydrophobicContact CG1-SD 4.28Å
764	P	94.6	Very high	89.2	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.019	25%	0.25	C	S	.	.			trans	-72.6	141.4	172.4	29.8	-34.4	0	0	0	111.2	L673 L675 T681 I730 G731 G732 L790	L673-P764 HydrophobicContact CB-CB 4.04Å; L673-P764 HydrophobicContact CB-CG 4.47Å; L675-P764 HydrophobicContact CD1-CB 4.1Å; L675-P764 HydrophobicContact CD2-CB 3.99Å; L675-P764 HydrophobicContact CD2-CG 4.5Å; L675-P764 HydrophobicContact CG-CB 3.98Å; T681-P764 HydrophobicContact CG2-CG 3.95Å; I730-P764 WeakPolarHBondContact O-CD 3.44Å; G731-P764 WeakPolarHBondContact CA-O 3.41Å; G732-P764 PolarHBondContact N-O 3.25Å; P764-L790 HydrophobicContact CG-CD1 4.14Å
765	M	94.4	Very high	89.9	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.5	179	-66.6	-62.1	-55.9	0	0	110.1	A669 F671 A721 I724 G732 V734 M751 I763	A669-M765 HydrophobicContact CB-CB 3.88Å; A669-M765 WeakPolarHBondContact CB-O 3.26Å; F671-M765 HydrophobicContact CE2-CB 4.14Å; F671-M765 HydrophobicContact CE2-CG 3.96Å; A721-M765 HydrophobicContact CB-CE 3.99Å; A721-M765 HydrophobicContact CB-CG 3.77Å; A721-M765 HydrophobicContact CB-SD 3.75Å; I724-M765 HydrophobicContact CD1-CE 4.25Å; I724-M765 HydrophobicContact CD1-SD 3.82Å; G732-M765 WeakPolarHBondContact O-CA 3.4Å; V734-M765 HydrophobicContact CG2-CE 3.91Å; M751-M765 HydrophobicContact CE-CB 4.03Å; I763-M765 HydrophobicContact CD1-SD 4.01Å; I763-M765 HydrophobicContact CG1-SD 4.28Å
766	L	95.3	Very high	90.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.5	178.3	-67.6	-176.2	0	0	0	111.5	R649 V651 A666 G667 L675 G732 I733 V734 M751 L790	R649-L766 HydrophobicContact CB-CD1 4.19Å; R649-L766 HydrophobicContact CB-CD2 3.52Å; R649-L766 HydrophobicContact CG-CD2 3.59Å; V651-L766 HydrophobicContact CG2-CD1 3.71Å; A666-L766 HydrophobicContact CB-CB 4.21Å; A666-L766 HydrophobicContact CB-CD1 4.21Å; G667-L766 WeakPolarHBondContact O-CA 3.39Å; L675-L766 HydrophobicContact CD1-CD1 4.14Å; L675-L766 HydrophobicContact CD1-CD2 4.16Å; L675-L766 HydrophobicContact CD1-CG 4.28Å; G732-L766 PolarHBondContact O-N 3.27Å; I733-L766 CarbonylContact C-O 3.02Å; I733-L766 WeakPolarHBondContact CA-O 3.27Å; V734-L766 PolarHBondContact N-O 3.01Å; M751-L766 VanDerWaalsContact CE-C 3.41Å; M751-L766 WeakPolarHBondContact CE-O 3.37Å; L766-L790 HydrophobicContact CD1-CB 4.03Å; L766-L790 HydrophobicContact CD1-CD2 4.21Å
767	F	95	Very high	91.8	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.9	176.6	-178.9	-99	0	0	0	111	A666 G667 F717 V734 D736 F749 M751 F769	A666-F767 CarbonylContact C-O 3.54Å; A666-F767 WeakPolarHBondContact CA-O 3.43Å; A666-F767 WeakPolarHBondContact CB-O 3.48Å; G667-F767 PolarHBondContact N-O 2.7Å; G667-F767 PolarHBondContact O-N 3.39Å; F717-F767 HydrophobicContact CE1-CD2 4.46Å; V734-F767 HydrophobicContact CB-CD2 4.25Å; V734-F767 HydrophobicContact CG1-CD2 4.33Å; V734-F767 CarbonylContact O-C 3.51Å; V734-F767 WeakPolarHBondContact O-CA 3.34Å; V734-F767 WeakPolarHBondContact O-CD2 3.46Å; D736-F767 HydrophobicContact CB-CE1 4.47Å; D736-F767 HydrophobicContact CB-CE2 4.18Å; D736-F767 HydrophobicContact CB-CZ 3.61Å; F749-F767 HydrophobicContact CD1-CE1 4.49Å; F749-F767 HydrophobicContact CE1-CD1 4.09Å; F749-F767 AromaticContact CE1-CE1 3.48Å; F749-F767 HydrophobicContact CE1-CE1 3.48Å; F749-F767 VanDerWaalsContact CE1-CE1 3.48Å; F749-F767 AromaticContact CE1-CZ 3.77Å; F749-F767 HydrophobicContact CE1-CZ 3.77Å; F749-F767 HydrophobicContact CE2-CE1 4.47Å; F749-F767 HydrophobicContact CE2-CZ 4.47Å; F749-F767 AromaticContact CZ-CD1 3.93Å; F749-F767 HydrophobicContact CZ-CD1 3.93Å; F749-F767 HydrophobicContact CZ-CD2 4.22Å; F749-F767 AromaticContact CZ-CE1 3.47Å; F749-F767 HydrophobicContact CZ-CE1 3.47Å; F749-F767 VanDerWaalsContact CZ-CE1 3.47Å; F749-F767 AromaticContact CZ-CE2 3.81Å; F749-F767 HydrophobicContact CZ-CE2 3.81Å; F749-F767 HydrophobicContact CZ-CG 4.28Å; F749-F767 AromaticContact CZ-CZ 3.4Å; F749-F767 HydrophobicContact CZ-CZ 3.4Å; M751-F767 HydrophobicContact CE-CB 4.1Å; M751-F767 HydrophobicContact CG-CB 3.96Å; M751-F767 HydrophobicContact CG-CD2 4.39Å; M751-F767 HydrophobicContact CG-CG 4.44Å; M751-F767 HydrophobicContact SD-CB 3.89Å; M751-F767 HydrophobicContact SD-CD2 4.14Å; M751-F767 HydrophobicContact SD-CG 4.47Å; F767-F769 AromaticContact CE1-CD1 3.7Å; F767-F769 HydrophobicContact CE1-CD1 3.7Å; F767-F769 HydrophobicContact CE1-CD2 4.49Å; F767-F769 AromaticContact CE1-CE1 3.87Å; F767-F769 HydrophobicContact CE1-CE1 3.87Å; F767-F769 HydrophobicContact CE1-CG 4.05Å; F767-F769 HydrophobicContact CE1-CZ 4.36Å; F767-F769 HydrophobicContact CZ-CD1 4.23Å
768	L	95.6	Very high	92.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.5	168.5	-67.5	179.6	0	0	0	109.7	V651 L664 T665 A666 I733 V734 I735 D736 E772 I776	V651-L768 HydrophobicContact CG2-CD2 4.49Å; L664-L768 HydrophobicContact CB-CD2 4.14Å; L664-L768 HydrophobicContact CD1-CD1 4.33Å; T665-L768 VanDerWaalsContact O-CD2 3.31Å; T665-L768 WeakPolarHBondContact O-CD2 3.5Å; A666-L768 HydrophobicContact CB-CD2 3.75Å; I733-L768 HydrophobicContact CG2-CB 4.39Å; I733-L768 HydrophobicContact CG2-CD1 3.72Å; I733-L768 HydrophobicContact CG2-CG 3.82Å; V734-L768 PolarHBondContact O-N 2.79Å; I735-L768 WeakPolarHBondContact CA-O 3.28Å; D736-L768 PolarHBondContact N-O 2.85Å; L768-E772 HydrophobicContact CB-CB 4.34Å; L768-E772 HydrophobicContact CD2-CB 4.1Å; L768-I776 HydrophobicContact CD1-CD1 3.5Å; L768-I776 VanDerWaalsContact CD1-CD1 3.5Å; L768-I776 HydrophobicContact CD1-CG1 4.35Å
769	F	94.6	Very high	92.9	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.035	17%	0.174	C	C	.	.			trans	-70	169.6	166.3	-72	-68.3	0	0	0	111	S742 S743 A746 L748 F749 F767 K771 E772 G773	S742-F769 VanDerWaalsContact C-CD2 3.44Å; S743-F769 VanDerWaalsContact N-CD2 3.31Å; A746-F769 HydrophobicContact CB-CE1 4.01Å; A746-F769 HydrophobicContact CB-CE2 4.25Å; A746-F769 HydrophobicContact CB-CZ 3.69Å; L748-F769 HydrophobicContact CD2-CD2 4.22Å; L748-F769 HydrophobicContact CD2-CE2 3.83Å; L748-F769 HydrophobicContact CG-CE2 4.48Å; F749-F769 HydrophobicContact CD1-CE1 4.45Å; F749-F769 HydrophobicContact CD1-CZ 4.26Å; F749-F769 AromaticContact CE1-CE1 3.95Å; F749-F769 HydrophobicContact CE1-CE1 3.95Å; F749-F769 HydrophobicContact CE1-CZ 4.18Å; F767-F769 AromaticContact CE1-CD1 3.7Å; F767-F769 HydrophobicContact CE1-CD1 3.7Å; F767-F769 HydrophobicContact CE1-CD2 4.49Å; F767-F769 AromaticContact CE1-CE1 3.87Å; F767-F769 HydrophobicContact CE1-CE1 3.87Å; F767-F769 HydrophobicContact CE1-CG 4.05Å; F767-F769 HydrophobicContact CE1-CZ 4.36Å; F767-F769 HydrophobicContact CZ-CD1 4.23Å; F769-K771 PolarHBondContact O-N 2.94Å; F769-E772 VanDerWaalsContact CB-OE2 3.31Å; F769-E772 WeakPolarHBondContact CB-OE2 3.45Å; F769-E772 PolarHBondContact O-N 3.47Å; F769-G773 PolarHBondContact O-N 3.34Å
770	S	92.9	Very high	93.1	Very high	27 Å²	27	31.1 Å²	31.1	19%	0.189	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-40.9	-168.9	-177.7	0	0	0	0	113.1	N738 S741 G773 S774	N738-S770 VanDerWaalsContact O-CB 3.27Å; N738-S770 WeakPolarHBondContact O-CB 3.22Å; S741-S770 PolarHBondContact O-N 3.33Å; S741-S770 WeakPolarHBondContact OG-CB 3.39Å; S741-S770 PolarHBondContact OG-N 3.02Å; S770-G773 PolarHBondContact O-N 3.12Å; S770-S774 PolarHBondContact O-N 3.44Å
771	K	92.9	Very high	93.2	Very high	105 Å²	105	36.7 Å²	36.7	46%	0.457	17%	0.174	S	C	.	.	H	α-helix	trans	-66.6	-41	179.9	-175.5	-169	176.4	-172.4	0	112.9	S741 S742 D744 F769 S774	S741-K771 WeakPolarHBondContact O-CB 3.32Å; S741-K771 PolarHBondContact O-N 3.4Å; S742-K771 WeakPolarHBondContact OG-CD 3.29Å; D744-K771 IonicContact OD2-NZ 2.87Å; D744-K771 PolarHBondContact OD2-NZ 3.36Å; F769-K771 PolarHBondContact O-N 2.94Å; K771-S774 PolarHBondContact O-OG 3.16Å
772	E	94.1	Very high	92.9	Very high	11 Å²	11	43 Å²	43	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-76	-32.5	176.6	-63.8	81.2	174.3	0	0	111.1	L664 S742 S743 L768 F769	L664-E772 HydrophobicContact CB-CB 4.4Å; L664-E772 WeakPolarHBondContact CD1-O 3.47Å; L664-E772 HydrophobicContact CD2-CB 4.17Å; L664-E772 HydrophobicContact CD2-CG 4.42Å; S742-E772 WeakPolarHBondContact CA-OE2 3.39Å; S742-E772 PolarHBondContact OG-OE1 3.02Å; S743-E772 WeakPolarHBondContact CB-OE1 3.47Å; S743-E772 PolarHBondContact N-OE1 3.39Å; S743-E772 PolarHBondContact OG-OE1 3.04Å; L768-E772 HydrophobicContact CB-CB 4.34Å; L768-E772 HydrophobicContact CD2-CB 4.1Å; F769-E772 VanDerWaalsContact CB-OE2 3.31Å; F769-E772 WeakPolarHBondContact CB-OE2 3.45Å; F769-E772 PolarHBondContact O-N 3.47Å
773	G	92.4	Very high	92.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-39.1	174.8	0	0	0	0	0	113.7	F769 S770 I775 I776 L777	F769-G773 PolarHBondContact O-N 3.34Å; S770-G773 PolarHBondContact O-N 3.12Å; G773-I775 VanDerWaalsContact C-N 3.32Å; G773-I775 PolarHBondContact O-N 3.19Å; G773-I776 PolarHBondContact O-N 2.56Å; G773-L777 WeakPolarHBondContact O-CG 3.18Å; G773-L777 PolarHBondContact O-N 3.25Å
774	S	92.8	Very high	91.9	Very high	46 Å²	46	48.4 Å²	48.4	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-39.7	178.2	65.7	0	0	0	0	112	S770 K771 I776 L777 D778	S770-S774 PolarHBondContact O-N 3.44Å; K771-S774 PolarHBondContact O-OG 3.16Å; S774-I776 PolarHBondContact O-N 3.17Å; S774-I776 VanDerWaalsContact O-N 3.16Å; S774-L777 CarbonylContact O-C 3.56Å; S774-L777 WeakPolarHBondContact O-CA 3.33Å; S774-L777 WeakPolarHBondContact O-CB 3.48Å; S774-L777 PolarHBondContact O-N 3.06Å; S774-D778 PolarHBondContact O-N 3.03Å; S774-D778 VanDerWaalsContact O-OD2 3.1Å
775	I	93.6	Very high	91.4	Very high	67 Å²	67	54.5 Å²	54.5	34%	0.344	26%	0.259	S	S	.	.	H	α-helix	trans	-55.3	-36.9	177.6	-62.5	167.8	0	0	0	112.1	I653 V662 L664 G773 A779	I653-I775 HydrophobicContact CD1-CG2 4.3Å; V662-I775 HydrophobicContact CG1-CG2 3.94Å; L664-I775 HydrophobicContact CD2-CB 4.26Å; L664-I775 HydrophobicContact CD2-CD1 3.76Å; L664-I775 HydrophobicContact CD2-CG2 4.24Å; G773-I775 VanDerWaalsContact C-N 3.32Å; G773-I775 PolarHBondContact O-N 3.19Å; I775-A779 WeakPolarHBondContact O-CB 3.39Å; I775-A779 PolarHBondContact O-N 3.18Å
776	I	93.1	Very high	91.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.8	-40.4	174.2	-54.2	-174.1	0	0	0	111.2	V651 I653 L664 V685 L709 I733 L768 G773 S774 I780	V651-I776 HydrophobicContact CG1-CD1 3.98Å; I653-I776 HydrophobicContact CD1-CG1 4.42Å; L664-I776 HydrophobicContact CD1-CD1 3.72Å; L664-I776 HydrophobicContact CD1-CG1 3.42Å; L664-I776 VanDerWaalsContact CD1-CG1 3.42Å; V685-I776 HydrophobicContact CG1-CG2 4.49Å; V685-I776 HydrophobicContact CG2-CG2 4.24Å; L709-I776 HydrophobicContact CD1-CG2 3.87Å; L709-I776 HydrophobicContact CD2-CG2 4.38Å; I733-I776 HydrophobicContact CD1-CD1 3.96Å; L768-I776 HydrophobicContact CD1-CD1 3.5Å; L768-I776 VanDerWaalsContact CD1-CD1 3.5Å; L768-I776 HydrophobicContact CD1-CG1 4.35Å; G773-I776 PolarHBondContact O-N 2.56Å; S774-I776 PolarHBondContact O-N 3.17Å; S774-I776 VanDerWaalsContact O-N 3.16Å; I776-I780 HydrophobicContact CG2-CD1 4.08Å; I776-I780 WeakPolarHBondContact O-CD1 3.4Å; I776-I780 VanDerWaalsContact O-CG1 3.26Å; I776-I780 WeakPolarHBondContact O-CG1 3.39Å; I776-I780 PolarHBondContact O-N 3.18Å; I776-I780 VanDerWaalsContact O-N 3.13Å
777	L	92.4	Very high	91.4	Very high	41 Å²	41	55.5 Å²	55.5	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-36.6	-179.8	-66	170.3	0	0	0	112.3	L709 I735 G773 S774 I780 R781	L709-L777 HydrophobicContact CD1-CD2 3.98Å; I735-L777 HydrophobicContact CD1-CD1 4.16Å; I735-L777 HydrophobicContact CD1-CD2 4.42Å; I735-L777 HydrophobicContact CD1-CG 4.14Å; G773-L777 WeakPolarHBondContact O-CG 3.18Å; G773-L777 PolarHBondContact O-N 3.25Å; S774-L777 CarbonylContact O-C 3.56Å; S774-L777 WeakPolarHBondContact O-CA 3.33Å; S774-L777 WeakPolarHBondContact O-CB 3.48Å; S774-L777 PolarHBondContact O-N 3.06Å; L777-I780 PolarHBondContact O-N 3.09Å; L777-R781 WeakPolarHBondContact O-CG 3.41Å; L777-R781 PolarHBondContact O-N 3.01Å
778	D	92.7	Very high	91.4	Very high	54 Å²	54	55.4 Å²	55.4	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-72.7	-43.1	176.7	-66.8	-43.5	0	0	0	111.4	S774 I780 R781 E782	S774-D778 PolarHBondContact O-N 3.03Å; S774-D778 VanDerWaalsContact O-OD2 3.1Å; D778-I780 PolarHBondContact O-N 3.21Å; D778-I780 VanDerWaalsContact O-N 3.15Å; D778-R781 WeakPolarHBondContact O-CA 3.3Å; D778-R781 WeakPolarHBondContact O-CB 3.24Å; D778-R781 PolarHBondContact O-N 3.45Å; D778-R781 IonicContact OD1-CZ 3.79Å; D778-R781 IonicContact OD1-NE 3.61Å; D778-R781 IonicContact OD1-NH1 2.65Å; D778-R781 PolarHBondContact OD1-NH1 3.39Å; D778-E782 PolarHBondContact O-N 3.42Å
779	A	91.2	Very high	91.4	Very high	2 Å²	2	56 Å²	56	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-54.8	-34.7	170.1	0	0	0	0	0	113.1	I653 F658 I775 H783 V786	I653-A779 HydrophobicContact CD1-CB 4.26Å; F658-A779 HydrophobicContact CE2-CB 3.66Å; F658-A779 HydrophobicContact CZ-CB 4.04Å; I775-A779 WeakPolarHBondContact O-CB 3.39Å; I775-A779 PolarHBondContact O-N 3.18Å; A779-H783 WeakPolarHBondContact O-CB 3.48Å; A779-H783 PolarHBondContact O-N 3.24Å; A779-V786 HydrophobicContact CB-CG1 4.37Å; A779-V786 HydrophobicContact CB-CG2 3.87Å; A779-V786 WeakPolarHBondContact O-CG2 3.42Å
780	I	90.9	Very high	91.4	Very high	58 Å²	58	55.6 Å²	55.6	30%	0.297	26%	0.264	S	S	.	.	H	α-helix	trans	-74.7	-27.9	176.2	-68	164.3	0	0	0	112.2	V685 L709 I776 L777 D778 V786	V685-I780 HydrophobicContact CB-CD1 4.21Å; V685-I780 HydrophobicContact CG2-CD1 3.63Å; V685-I780 HydrophobicContact CG2-CG1 3.86Å; L709-I780 HydrophobicContact CD1-CD1 3.44Å; L709-I780 VanDerWaalsContact CD1-CD1 3.44Å; I776-I780 HydrophobicContact CG2-CD1 4.08Å; I776-I780 WeakPolarHBondContact O-CD1 3.4Å; I776-I780 VanDerWaalsContact O-CG1 3.26Å; I776-I780 WeakPolarHBondContact O-CG1 3.39Å; I776-I780 PolarHBondContact O-N 3.18Å; I776-I780 VanDerWaalsContact O-N 3.13Å; L777-I780 PolarHBondContact O-N 3.09Å; D778-I780 PolarHBondContact O-N 3.21Å; D778-I780 VanDerWaalsContact O-N 3.15Å; I780-V786 HydrophobicContact CB-CG2 4.45Å; I780-V786 HydrophobicContact CG1-CB 4.02Å; I780-V786 HydrophobicContact CG1-CG2 3.83Å
781	R	89.6	Confident	91.3	Very high	196 Å²	196	54.4 Å²	54.4	74%	0.74	26%	0.256	S	S	*	.	H	α-helix	trans	-72.9	-37.2	173.7	-68.3	164.5	-178.7	169.7	-4.3	111.1	L777 D778	L777-R781 WeakPolarHBondContact O-CG 3.41Å; L777-R781 PolarHBondContact O-N 3.01Å; D778-R781 WeakPolarHBondContact O-CA 3.3Å; D778-R781 WeakPolarHBondContact O-CB 3.24Å; D778-R781 PolarHBondContact O-N 3.45Å; D778-R781 IonicContact OD1-CZ 3.79Å; D778-R781 IonicContact OD1-NE 3.61Å; D778-R781 IonicContact OD1-NH1 2.65Å; D778-R781 PolarHBondContact OD1-NH1 3.39Å
782	E	87.8	Confident	91	Very high	136 Å²	136	51.7 Å²	51.7	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-86.3	-26.2	-175.4	-66.8	175.3	-176.2	0	0	113.6	D778	D778-E782 PolarHBondContact O-N 3.42Å
783	H	87.3	Confident	90.7	Very high	53 Å²	53	58.2 Å²	58.2	25%	0.245	28%	0.275	C	S	.	.			trans	-136.4	130	-174.1	-48	-38.4	0	0	0	113.3	P657 F658 A779 Q785 V786	P657-H783 VanDerWaalsContact CD-CD2 3.43Å; P657-H783 WeakPolarHBondContact CD-CD2 3.39Å; P657-H783 WeakPolarHBondContact CD-NE2 3.36Å; F658-H783 AromaticContact CE2-CD2 3.7Å; F658-H783 AromaticContact CE2-NE2 3.8Å; F658-H783 AromaticContact CZ-NE2 4Å; A779-H783 WeakPolarHBondContact O-CB 3.48Å; A779-H783 PolarHBondContact O-N 3.24Å; H783-Q785 PolarHBondContact O-N 3.11Å; H783-Q785 VanDerWaalsContact O-N 3.08Å; H783-V786 HydrophobicContact CB-CG2 4.43Å
784	E	76	Confident	90.3	Very high	198 Å²	198	60.7 Å²	60.7	93%	0.925	30%	0.295	S	S	*	.	S	Bend	trans	-60	-24.6	-174.4	-59.8	-171.5	148.8	0	0	115.2
785	Q	85.4	Confident	89.6	Confident	132 Å²	132	64.1 Å²	64.1	62%	0.617	30%	0.301	S	S	*	.			trans	-142	82.4	-175.7	-65.3	-168.2	14.1	0	0	112.5	S655 F684 H783	S655-Q785 WeakPolarHBondContact CB-O 3.43Å; F684-Q785 HydrophobicContact CD1-CB 4.01Å; F684-Q785 HydrophobicContact CE1-CB 3.81Å; H783-Q785 PolarHBondContact O-N 3.11Å; H783-Q785 VanDerWaalsContact O-N 3.08Å
786	V	93.3	Very high	88.7	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.03	32%	0.317	C	S	.	.			trans	-77.2	126.8	170.7	-179	0	0	0	0	110.5	I653 S655 F684 V685 A779 I780 H783 V788	I653-V786 HydrophobicContact CG2-CG1 3.78Å; S655-V786 WeakPolarHBondContact OG-CA 3.31Å; F684-V786 VanDerWaalsContact CA-O 3.28Å; F684-V786 WeakPolarHBondContact CA-O 3.27Å; F684-V786 WeakPolarHBondContact CD1-O 3.38Å; V685-V786 HydrophobicContact CG2-CB 3.6Å; V685-V786 HydrophobicContact CG2-CG1 3.64Å; V685-V786 WeakPolarHBondContact CG2-O 3.45Å; V685-V786 PolarHBondContact N-O 3.25Å; V685-V786 VanDerWaalsContact N-O 3.08Å; A779-V786 HydrophobicContact CB-CG1 4.37Å; A779-V786 HydrophobicContact CB-CG2 3.87Å; A779-V786 WeakPolarHBondContact O-CG2 3.42Å; I780-V786 HydrophobicContact CB-CG2 4.45Å; I780-V786 HydrophobicContact CG1-CB 4.02Å; I780-V786 HydrophobicContact CG1-CG2 3.83Å; H783-V786 HydrophobicContact CB-CG2 4.43Å; V786-V788 HydrophobicContact CG1-CG1 4.21Å
787	E	95.3	Very high	87.7	Confident	24 Å²	24	73.5 Å²	73.5	11%	0.112	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.5	177.8	-165.6	-174.3	-161.7	0	0	109.6	I654 S655 R682 F684	I654-E787 HydrophobicContact CD1-CG 4.1Å; I654-E787 HydrophobicContact CG1-CB 4.1Å; I654-E787 HydrophobicContact CG1-CG 3.98Å; I654-E787 WeakPolarHBondContact CG1-O 3.46Å; I654-E787 PolarHBondContact N-O 2.85Å; S655-E787 PolarHBondContact N-O 2.91Å; S655-E787 PolarHBondContact OG-N 3.34Å; S655-E787 VanDerWaalsContact OG-N 3.14Å; R682-E787 IonicContact CZ-OE1 2.76Å; R682-E787 IonicContact CZ-OE2 3.78Å; R682-E787 IonicContact NE-OE1 3.28Å; R682-E787 PolarHBondContact NE-OE1 3.47Å; R682-E787 IonicContact NE-OE2 2.73Å; R682-E787 VanDerWaalsContact NH2-CD 3.33Å; R682-E787 IonicContact NH2-OE1 2.96Å; R682-E787 PolarHBondContact NH2-OE1 3.04Å; R682-E787 IonicContact NH2-OE2 3.24Å; R682-E787 PolarHBondContact NH2-OE2 3.35Å; F684-E787 HydrophobicContact CD1-CB 3.86Å; F684-E787 HydrophobicContact CD1-CG 4.26Å; F684-E787 HydrophobicContact CE1-CB 3.84Å; F684-E787 HydrophobicContact CE1-CG 4.24Å
788	V	96.2	Very high	86.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.7	-178.7	-51.9	0	0	0	0	113	V651 Q652 I653 R682 G683 V685 I707 I733 V786 L790	V651-V788 HydrophobicContact CG1-CB 4.08Å; V651-V788 HydrophobicContact CG1-CG1 4.41Å; V651-V788 HydrophobicContact CG1-CG2 4.35Å; Q652-V788 CarbonylContact O-C 3.56Å; Q652-V788 WeakPolarHBondContact O-CA 3.45Å; Q652-V788 WeakPolarHBondContact O-CB 3.4Å; I653-V788 HydrophobicContact CG1-CG1 4.3Å; R682-V788 WeakPolarHBondContact CA-O 3.21Å; G683-V788 PolarHBondContact N-O 3.47Å; G683-V788 VanDerWaalsContact N-O 3.08Å; G683-V788 PolarHBondContact O-N 3.08Å; V685-V788 HydrophobicContact CG1-CB 4.45Å; V685-V788 HydrophobicContact CG1-CG1 3.92Å; V685-V788 HydrophobicContact CG1-CG2 3.65Å; I707-V788 HydrophobicContact CD1-CG2 3.53Å; I707-V788 HydrophobicContact CG2-CG2 4.41Å; I733-V788 HydrophobicContact CD1-CG2 4.44Å; V786-V788 HydrophobicContact CG1-CG1 4.21Å; V788-L790 HydrophobicContact CG2-CD2 4.06Å
789	L	94.3	Very high	84.7	Confident	13 Å²	13	75.3 Å²	75.3	7%	0.068	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123	174.7	-170.7	70.3	0	0	0	109.7	V651 Q652 I654 E680 R682 R795	V651-L789 WeakPolarHBondContact CA-O 3.5Å; Q652-L789 HydrophobicContact CB-CB 4.39Å; Q652-L789 PolarHBondContact N-O 3.13Å; Q652-L789 PolarHBondContact O-N 3Å; I654-L789 HydrophobicContact CD1-CB 4.39Å; I654-L789 HydrophobicContact CG2-CB 4.13Å; E680-L789 HydrophobicContact CB-CD1 3.61Å; E680-L789 HydrophobicContact CB-CG 4.12Å; E680-L789 HydrophobicContact CG-CD1 4.24Å; E680-L789 HydrophobicContact CG-CD2 4.39Å; E680-L789 HydrophobicContact CG-CG 4.32Å; R682-L789 HydrophobicContact CB-CD1 3.97Å; L789-R795 HydrophobicContact CD2-CB 4.33Å; L789-R795 HydrophobicContact CD2-CG 3.97Å
790	L	94.8	Very high	83.4	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.4	173.9	-43.5	-178.9	0	0	0	108.9	V651 L675 E680 T681 I707 I733 P764 L766 V788	V651-L790 HydrophobicContact CG1-CD2 4.13Å; V651-L790 HydrophobicContact CG2-CD2 3.89Å; L675-L790 HydrophobicContact CD1-CB 4.1Å; E680-L790 WeakPolarHBondContact CA-O 3.31Å; E680-L790 WeakPolarHBondContact CB-O 3.41Å; T681-L790 HydrophobicContact CG2-CD1 4.37Å; T681-L790 PolarHBondContact N-O 3.45Å; T681-L790 VanDerWaalsContact N-O 3.1Å; T681-L790 PolarHBondContact O-N 2.98Å; I707-L790 HydrophobicContact CD1-CD1 3.9Å; I707-L790 HydrophobicContact CD1-CD2 4.19Å; I707-L790 HydrophobicContact CD1-CG 3.83Å; I707-L790 HydrophobicContact CG1-CD1 4.22Å; I707-L790 HydrophobicContact CG2-CD1 4.21Å; I707-L790 HydrophobicContact CG2-CD2 4.48Å; I733-L790 HydrophobicContact CD1-CD2 3.95Å; I733-L790 HydrophobicContact CG1-CD2 4.09Å; P764-L790 HydrophobicContact CG-CD1 4.14Å; L766-L790 HydrophobicContact CD1-CB 4.03Å; L766-L790 HydrophobicContact CD1-CD2 4.21Å; V788-L790 HydrophobicContact CG2-CD2 4.06Å
791	S	91.6	Very high	81.9	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.014	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.3	-165.3	60.2	0	0	0	0	113.9	A650 K793	A650-S791 PolarHBondContact N-O 3.09Å; A650-S791 VanDerWaalsContact N-O 3.08Å; A650-S791 PolarHBondContact O-N 3.41Å; A650-S791 PolarHBondContact O-OG 3.18Å; S791-K793 VanDerWaalsContact C-N 3.32Å; S791-K793 WeakPolarHBondContact CB-O 3.26Å; S791-K793 PolarHBondContact OG-O 3.11Å; S791-K793 VanDerWaalsContact OG-O 3.11Å
792	D	87.1	Confident	80	Confident	47 Å²	47	76.8 Å²	76.8	25%	0.251	38%	0.383	S	S	.	.	S	Bend	trans	-59.9	-43.2	169.7	-176.6	69.3	0	0	0	111.2	R649 S676	R649-D792 IonicContact CZ-OD1 2.76Å; R649-D792 IonicContact NH1-OD1 3.21Å; R649-D792 PolarHBondContact NH1-OD1 2.92Å; R649-D792 IonicContact NH2-OD1 3.42Å; R649-D792 PolarHBondContact NH2-OD1 3.05Å; S676-D792 WeakPolarHBondContact CB-OD1 3.49Å
793	K	85.9	Confident	78.1	Confident	148 Å²	148	74.3 Å²	74.3	64%	0.643	39%	0.394	S	S	*	.	S	Bend	trans	-147.8	155.4	178.8	-62.5	178.5	-169.8	-176.6	0	110	S791	S791-K793 VanDerWaalsContact C-N 3.32Å; S791-K793 WeakPolarHBondContact CB-O 3.26Å; S791-K793 PolarHBondContact OG-O 3.11Å; S791-K793 VanDerWaalsContact OG-O 3.11Å
794	A	84.1	Confident	76.1	Confident	52 Å²	52	78.5 Å²	78.5	43%	0.43	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-56.4	140	177.3	0	0	0	0	0	112.4	A650 Q652 V663	A650-A794 HydrophobicContact CB-CB 4.17Å; Q652-A794 HydrophobicContact CG-CB 4.48Å; V663-A794 HydrophobicContact CG1-CB 3.64Å; V663-A794 HydrophobicContact CG2-CB 4.43Å
795	R	79.6	Confident	74.3	Confident	119 Å²	119	78.4 Å²	78.4	45%	0.449	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-94.6	146.1	177.2	-73.6	-65.3	-163	-163.8	-5.7	112.3	Q652 E680 L789 I800	Q652-R795 PolarHBondContact NE2-O 2.87Å; E680-R795 IonicContact OE1-CZ 3.06Å; E680-R795 IonicContact OE1-NE 2.69Å; E680-R795 IonicContact OE1-NH2 3.75Å; E680-R795 PolarHBondContact OE1-NH2 2.89Å; E680-R795 IonicContact OE2-CZ 3.58Å; E680-R795 IonicContact OE2-NE 3.96Å; E680-R795 PolarHBondContact OE2-NE 2.82Å; E680-R795 IonicContact OE2-NH2 2.74Å; E680-R795 PolarHBondContact OE2-NH2 2.82Å; L789-R795 HydrophobicContact CD2-CB 4.33Å; L789-R795 HydrophobicContact CD2-CG 3.97Å; R795-I800 HydrophobicContact CB-CD1 3.96Å; R795-I800 HydrophobicContact CB-CG1 3.81Å; R795-I800 WeakPolarHBondContact O-CD1 3.43Å
796	D	73.2	Confident	72.3	Confident	125 Å²	125	75.6 Å²	75.6	67%	0.668	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-60.1	137.6	170.9	-59.5	-59.4	0	0	0	112.1	A798 A799 I800	D796-A798 PolarHBondContact O-N 3.06Å; D796-A799 HydrophobicContact CB-CB 4.36Å; D796-A799 WeakPolarHBondContact O-CA 3.49Å; D796-A799 WeakPolarHBondContact O-CB 3.26Å; D796-A799 PolarHBondContact O-N 3.5Å; D796-I800 PolarHBondContact O-N 3.27Å; D796-I800 VanDerWaalsContact O-N 3.08Å
797	R	72.1	Confident	69.7	Low	139 Å²	139	79.1 Å²	79.1	53%	0.525	42%	0.424	S	S	.	.	H	α-helix	trans	-54.4	-38.4	177.4	-61.6	177.7	-175	167	1.7	112.1	A799 I800 L801	R797-A799 VanDerWaalsContact C-N 3.29Å; R797-A799 PolarHBondContact O-N 2.87Å; R797-I800 PolarHBondContact O-N 2.82Å; R797-L801 WeakPolarHBondContact O-CB 3.44Å; R797-L801 VanDerWaalsContact O-CG 3.32Å; R797-L801 WeakPolarHBondContact O-CG 3.45Å; R797-L801 PolarHBondContact O-N 3.03Å; R797-L801 VanDerWaalsContact O-N 3.08Å
798	A	60.7	Low	66.7	Low	79 Å²	79	83.1 Å²	83.1	65%	0.653	46%	0.455	S	S	*	.	H	α-helix	trans	-67.9	-23.5	177.2	0	0	0	0	0	114.1	D796	D796-A798 PolarHBondContact O-N 3.06Å
799	A	63.4	Low	64.1	Low	54 Å²	54	91.2 Å²	91.2	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-82.1	-40.8	172.1	0	0	0	0	0	111.4	D796 R797 L801 K802	D796-A799 HydrophobicContact CB-CB 4.36Å; D796-A799 WeakPolarHBondContact O-CA 3.49Å; D796-A799 WeakPolarHBondContact O-CB 3.26Å; D796-A799 PolarHBondContact O-N 3.5Å; R797-A799 VanDerWaalsContact C-N 3.29Å; R797-A799 PolarHBondContact O-N 2.87Å; A799-L801 VanDerWaalsContact C-N 3.29Å; A799-L801 PolarHBondContact O-N 2.8Å; A799-K802 PolarHBondContact O-N 3.34Å
800	I	62.4	Low	61.6	Low	28 Å²	28	93 Å²	93	14%	0.144	50%	0.496	C	S	.	.	H	α-helix	trans	-62.1	-35.5	178.6	-63.5	169	0	0	0	111.9	I654 R795 D796 R797	I654-I800 HydrophobicContact CB-CG2 4.18Å; I654-I800 HydrophobicContact CG2-CD1 4.34Å; I654-I800 HydrophobicContact CG2-CG2 3.9Å; R795-I800 HydrophobicContact CB-CD1 3.96Å; R795-I800 HydrophobicContact CB-CG1 3.81Å; R795-I800 WeakPolarHBondContact O-CD1 3.43Å; D796-I800 PolarHBondContact O-N 3.27Å; D796-I800 VanDerWaalsContact O-N 3.08Å; R797-I800 PolarHBondContact O-N 2.82Å
801	L	60.5	Low	59.1	Low	72 Å²	72	99.8 Å²	99.8	38%	0.377	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.8	-174.6	-65.3	172.9	0	0	0	115	F659 R797 A799 G803 I806	F659-L801 HydrophobicContact CD1-CD2 4.37Å; R797-L801 WeakPolarHBondContact O-CB 3.44Å; R797-L801 VanDerWaalsContact O-CG 3.32Å; R797-L801 WeakPolarHBondContact O-CG 3.45Å; R797-L801 PolarHBondContact O-N 3.03Å; R797-L801 VanDerWaalsContact O-N 3.08Å; A799-L801 VanDerWaalsContact C-N 3.29Å; A799-L801 PolarHBondContact O-N 2.8Å; L801-G803 PolarHBondContact O-N 3.31Å; L801-I806 HydrophobicContact CD2-CD1 4Å
802	K	49.4	Very low	56.3	Low	187 Å²	187	106.6 Å²	106.6	81%	0.813	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	102	177.4	-93.4	177.9	176.4	178.4	0	111.3	A799	A799-K802 PolarHBondContact O-N 3.34Å
803	G	48.6	Very low	53.6	Low	83 Å²	83	108.3 Å²	108.3	86%	0.856	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.5	3	168.9	0	0	0	0	0	116.8	L801	L801-G803 PolarHBondContact O-N 3.31Å
804	K	45.1	Very low	51	Low	142 Å²	142	108 Å²	108	62%	0.617	59%	0.588	S	S	*	*			trans	-114.3	130	169.4	-68.6	-172.6	179.3	-177.2	0	110.2
805	M	37.9	Very low	48.4	Very low	196 Å²	196	111.7 Å²	111.7	97%	0.966	61%	0.608	S	S	*	*			trans	-69.9	132.8	166.6	-67.3	-175.2	76	0	0	109.1
806	I	43.9	Very low	46	Very low	72 Å²	72	113.9 Å²	113.9	37%	0.369	62%	0.623	S	S	.	*			trans	-127.3	135.1	175.6	-61.5	-179.1	0	0	0	107.2	F659 L801 I810	F659-I806 HydrophobicContact CE1-CD1 4.43Å; L801-I806 HydrophobicContact CD2-CD1 4Å; I806-I810 HydrophobicContact CG2-CB 4.09Å; I806-I810 HydrophobicContact CG2-CD1 3.78Å; I806-I810 HydrophobicContact CG2-CG1 4.2Å
807	P	37.6	Very low	43.9	Very low	79 Å²	79	116.5 Å²	116.5	51%	0.513	63%	0.633	S	S	.	*			trans	-60	148.3	177.3	-24.6	35.1	0	0	0	113	Y809 I810	P807-Y809 HydrophobicContact CB-CD1 3.68Å; P807-Y809 HydrophobicContact CB-CE1 3.55Å; P807-Y809 HydrophobicContact CG-CE1 4.05Å; P807-Y809 PolarHBondContact O-N 3.01Å; P807-I810 PolarHBondContact O-N 3.49Å
808	S	33	Very low	41.7	Very low	109 Å²	109	119.3 Å²	119.3	76%	0.762	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-65.4	-7.1	-169.4	41.6	0	0	0	0	116.2
809	Y	40.8	Very low	40.1	Very low	170 Å²	170	122.7 Å²	122.7	67%	0.667	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-76.3	-17.6	178.8	68.6	-99.8	0	0	0	114.2	P807 I811	P807-Y809 HydrophobicContact CB-CD1 3.68Å; P807-Y809 HydrophobicContact CB-CE1 3.55Å; P807-Y809 HydrophobicContact CG-CE1 4.05Å; P807-Y809 PolarHBondContact O-N 3.01Å; Y809-I811 VanDerWaalsContact C-N 3.3Å; Y809-I811 PolarHBondContact O-N 3.27Å
810	I	42.9	Very low	38.3	Very low	49 Å²	49	128.9 Å²	128.9	25%	0.251	68%	0.679	S	S	.	*	G	3₁₀ helix	trans	-81.6	-7.1	-176.7	-60.7	-170.1	0	0	0	112.9	F659 I806 P807	F659-I810 HydrophobicContact CZ-CD1 4.35Å; I806-I810 HydrophobicContact CG2-CB 4.09Å; I806-I810 HydrophobicContact CG2-CD1 3.78Å; I806-I810 HydrophobicContact CG2-CG1 4.2Å; P807-I810 PolarHBondContact O-N 3.49Å
811	I	41.8	Very low	36.5	Very low	144 Å²	144	135.4 Å²	135.4	74%	0.738	72%	0.715	S	S	*	*	S	Bend	trans	-83.5	-29.1	179.6	-62.4	176.3	0	0	0	112	Y809	Y809-I811 VanDerWaalsContact C-N 3.3Å; Y809-I811 PolarHBondContact O-N 3.27Å
812	N	33.2	Very low	34.9	Very low	145 Å²	145	141.1 Å²	141.1	78%	0.775	74%	0.739	S	S	*	*			trans	-114.8	85.2	-175.2	-72.1	6.4	0	0	0	111.8
813	S	29.2	Very low	34.1	Very low	82 Å²	82	137.7 Å²	137.7	57%	0.573	74%	0.736	S	S	*	*			trans	-150.4	98.4	165.9	65.3	0	0	0	0	110.9
814	N	30.8	Very low	32.8	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	73%	0.734	S	S	*	*			trans	-68.7	141.7	163.9	-80.8	4.4	0	0	0	109.3
815	P	30.8	Very low	31.9	Very low	129 Å²	129	137.4 Å²	137.4	84%	0.838	74%	0.739	S	S	*	*			trans	-89.2	100.5	163.5	33.4	-27.2	0	0	0	109.5
816	E	28.9	Very low	31.3	Very low	165 Å²	165	136.2 Å²	136.2	77%	0.771	73%	0.731	S	S	*	*			trans	-106.8	118.3	163.3	-75	-177.9	176.4	0	0	108.9
817	M	28.3	Very low	30.4	Very low	179 Å²	179	138.9 Å²	138.9	88%	0.882	75%	0.746	S	S	*	*			trans	28.9	112	161.2	-70.1	163.6	47	0	0	119.4
818	E	25.8	Very low	29.8	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	76%	0.759	S	S	*	*			trans	-108.2	130.5	137.4	-75.1	-175.6	157.7	0	0	108.4
819	N	27.3	Very low	29.5	Very low	150 Å²	150	140.7 Å²	140.7	80%	0.802	75%	0.749	S	S	*	*			trans	-155.8	138.1	163.5	-143.5	21	0	0	0	109.1
820	E	26.5	Very low	28.9	Very low	184 Å²	184	140.3 Å²	140.3	86%	0.86	75%	0.753	S	S	*	*			trans	66	100.8	172	-53.9	-165.3	151.4	0	0	119.3
821	D	25.4	Very low	28.1	Very low	165 Å²	165	143.2 Å²	143.2	88%	0.882	77%	0.769	S	S	*	*			trans	-67.6	127.8	148.7	-96.8	-50.7	0	0	0	110.7
822	Q	25.1	Very low	27.3	Very low	191 Å²	191	143.6 Å²	143.6	89%	0.893	77%	0.768	S	S	*	*			trans	-157.7	147.4	134.4	-113.1	-178.6	64	0	0	112.2
823	P	32.6	Very low	27	Very low	116 Å²	116	142 Å²	142	75%	0.753	77%	0.768	S	S	*	*			trans	-106.4	148.8	-159.6	38.5	-33.9	0	0	0	115.5
824	S	22.1	Very low	26.8	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	78%	0.779	S	S	*	*			trans	-165.6	148.9	148.8	37.6	0	0	0	0	115.3
825	S	25.6	Very low	26.6	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	78%	0.782	S	S	*	*			trans	48.5	101.2	155.5	55.7	0	0	0	0	121.8
826	E	26	Very low	26.4	Very low	171 Å²	171	146.2 Å²	146.2	80%	0.799	78%	0.779	S	S	*	*				39.7	127.2	113.1	-66.7	-167.5	157.5	0	0	123.1
827	N	25.8	Very low	26.3	Very low	128 Å²	128	146 Å²	146	68%	0.684	78%	0.78	S	S	*	*			trans	91	139.3	135.4	-64.7	-20.5	0	0	0	123.4
828	D	25	Very low	26.2	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	77%	0.774	S	S	*	*			trans	56.8	142.5	154	-62.9	-25.1	0	0	0	122.6
829	S	26	Very low	26.2	Very low	78 Å²	78	138.7 Å²	138.7	55%	0.545	76%	0.757	S	S	.	*			cis	-174.7	163.8	-29.5	63.2	0	0	0	0	107.7
830	Q	27.6	Very low	26.2	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.752	76%	0.757	S	S	*	*			trans	68.5	154.8	162.7	-66.6	173.5	67.9	0	0	116.4
831	N	26.1	Very low	26.2	Very low	111 Å²	111	134.4 Å²	134.4	59%	0.594	75%	0.746	S	S	*	*			cis	-165.2	160	-9.6	-91	-22.2	0	0	0	106.8
832	Q	25.9	Very low	26.4	Very low	152 Å²	152	134.4 Å²	134.4	71%	0.71	74%	0.741	S	S	*	*			cis	-161.9	114.7	-12.5	-112.4	169.5	38.4	0	0	111.5
833	S	26.3	Very low	26.5	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	74%	0.737	S	S	*	*			trans	31.6	120.8	130.1	60.7	0	0	0	0	123.5
834	A	25	Very low	26.2	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	74%	0.736	S	S	*	*			trans	-178	122.5	139.3	0	0	0	0	0	107.4
835	E	27.5	Very low	26.4	Very low	179 Å²	179	132.7 Å²	132.7	84%	0.836	73%	0.732	S	S	*	*			cis	63.1	105.9	43	-70.6	-148.5	155.1	0	0	116.4
836	Q	26	Very low	26.4	Very low	167 Å²	167	135.8 Å²	135.8	78%	0.78	74%	0.739	S	S	*	*				178	134.6	102.6	-89.1	-172.4	0.4	0	0	109.6
837	M	26	Very low	26.5	Very low	161 Å²	161	131.5 Å²	131.5	79%	0.793	73%	0.733	S	S	*	*				59.1	140.9	82.9	-89.3	-163.5	167.9	0	0	113.4
838	L	26.8	Very low	26.5	Very low	142 Å²	142	131.9 Å²	131.9	74%	0.743	74%	0.735	S	S	*	*			cis	-158	-177.2	17.8	-112.5	166.1	0	0	0	107.1
839	S	26.2	Very low	26.4	Very low	82 Å²	82	131.8 Å²	131.8	57%	0.573	73%	0.728	S	S	*	*			cis	-172	152.8	1.8	48.8	0	0	0	0	111.2
840	L	26.1	Very low	26.3	Very low	155 Å²	155	134.9 Å²	134.9	81%	0.812	73%	0.734	S	S	*	*			trans	55.3	151.8	136	-64.8	166	0	0	0	120.6
841	S	27.6	Very low	26	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	73%	0.733	S	S	*	*			cis	-164.9	149.4	-2.5	41.7	0	0	0	0	112
842	Q	28	Very low	26.7	Very low	165 Å²	165	131.8 Å²	131.8	77%	0.771	74%	0.736	S	S	*	*				20.2	148.8	126.9	-55	170.8	-43	0	0	119.8
843	T	27.8	Very low	26.6	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	74%	0.739	S	S	*	*			cis	-171.2	-179.6	-3.3	27.6	0	0	0	0	106.1
844	V	27.1	Very low	26.5	Very low	123 Å²	123	135.6 Å²	135.6	75%	0.745	74%	0.741	S	S	*	*			cis	-153.8	-178.2	15.2	83.2	0	0	0	0	110.2
845	D	25.6	Very low	27.2	Very low	133 Å²	133	136.2 Å²	136.2	71%	0.711	74%	0.737	S	S	*	*			trans	-66	158.1	-179.3	-45.3	-88.5	0	0	0	116.9
846	L	27	Very low	27.1	Very low	166 Å²	166	131.1 Å²	131.1	87%	0.869	73%	0.726	S	S	*	*				-179.3	123.3	102.9	-95.1	171.4	0	0	0	115.9
847	A	26.4	Very low	27	Very low	82 Å²	82	130.5 Å²	130.5	68%	0.678	73%	0.728	S	S	*	*			trans	53.3	136.5	136.4	0	0	0	0	0	125.2
848	D	25.8	Very low	27	Very low	135 Å²	135	126.5 Å²	126.5	72%	0.722	72%	0.716	S	S	*	*			trans	85.5	111.6	137	-84.4	22	0	0	0	124.5
849	K	24.6	Very low	27.1	Very low	147 Å²	147	128.2 Å²	128.2	64%	0.639	72%	0.719	S	S	*	*				95.3	126.5	124.4	-77.7	170	163.1	-81.9	0	123.1
850	E	23.5	Very low	27	Very low	144 Å²	144	128.5 Å²	128.5	67%	0.673	72%	0.722	S	S	*	*			trans	67.2	94	135.1	-70.9	154.1	-156.7	0	0	120.5
851	S	21.1	Very low	26.9	Very low	106 Å²	106	130 Å²	130	74%	0.741	72%	0.724	S	S	*	*				8.1	157.8	117.7	60.9	0	0	0	0	120.4
852	P	40.1	Very low	26.7	Very low	101 Å²	101	129.6 Å²	129.6	66%	0.656	73%	0.727	S	S	*	*			cis	-143.2	-161.3	20.3	43.3	-22.5	0	0	0	116
853	E	24.1	Very low	26.6	Very low	164 Å²	164	127.2 Å²	127.2	77%	0.766	73%	0.729	S	S	*	*			trans	70.7	110	150	-78.2	162.5	-142.1	0	0	122.1
854	H	24.9	Very low	27.5	Very low	177 Å²	177	126.3 Å²	126.3	82%	0.819	73%	0.725	S	S	*	*				45.5	159.4	105.4	-74.6	-48	0	0	0	122.3
855	P	39.4	Very low	27.4	Very low	110 Å²	110	125 Å²	125	71%	0.714	72%	0.721	S	S	*	*			cis	-138.5	-167.6	-15.2	35	-13.5	0	0	0	114.6
856	A	24.7	Very low	27.5	Very low	73 Å²	73	126.1 Å²	126.1	60%	0.603	73%	0.727	S	S	*	*			trans	82.5	128.3	138.9	0	0	0	0	0	121.4
857	D	24.7	Very low	27.5	Very low	154 Å²	154	122.6 Å²	122.6	82%	0.824	72%	0.716	S	S	*	*				65	149.2	127	-63	-2.6	0	0	0	121.7
858	S	25.6	Very low	27.6	Very low	77 Å²	77	126.8 Å²	126.8	54%	0.538	72%	0.722	S	S	.	*			cis	-173.5	175.3	-18.6	53.4	0	0	0	0	109.4
859	H	28.3	Very low	27.7	Very low	177 Å²	177	129 Å²	129	82%	0.819	73%	0.728	S	S	*	*			trans	67.4	158.7	163	-59.8	-47.4	0	0	0	116.9
860	S	24.5	Very low	27.8	Very low	89 Å²	89	126.1 Å²	126.1	62%	0.622	73%	0.731	S	S	*	*			cis	-158	165.8	-11.5	36.2	0	0	0	0	110.4
861	E	24.1	Very low	28	Very low	185 Å²	185	124.3 Å²	124.3	86%	0.864	74%	0.741	S	S	*	*			trans	36.6	141.9	141.7	-63.6	163	169.6	0	0	121
862	A	24.3	Very low	28.2	Very low	82 Å²	82	122.4 Å²	122.4	68%	0.678	74%	0.738	S	S	*	*			cis	143.5	117.5	-8.6	0	0	0	0	0	108.5
863	S	25.4	Very low	27.4	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	75%	0.753	S	S	*	*			trans	68.9	175.9	156	-44.3	0	0	0	0	117.2
864	P	46.4	Very low	27.6	Very low	111 Å²	111	124.1 Å²	124.1	72%	0.721	75%	0.748	S	S	*	*			cis	-131.9	-169.6	-7.5	42.7	-26.6	0	0	0	115
865	S	25.3	Very low	28.4	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	75%	0.75	S	S	*	*			trans	69.1	152.7	157.3	64.3	0	0	0	0	119.4
866	D	27.6	Very low	27.8	Very low	157 Å²	157	122 Å²	122	84%	0.84	75%	0.752	S	S	*	*			cis	-173.4	167.4	-24.8	-90.1	-36.1	0	0	0	106.3
867	S	27.3	Very low	28	Very low	91 Å²	91	127.8 Å²	127.8	64%	0.636	77%	0.767	S	S	*	*			cis	-143.1	-144	0.7	37	0	0	0	0	108.3
868	E	27.9	Very low	28.2	Very low	171 Å²	171	129.2 Å²	129.2	80%	0.799	77%	0.769	S	S	*	*			cis	-161.3	-150	6.9	-151.7	139.8	-89.6	0	0	112.9
869	E	28	Very low	28.2	Very low	181 Å²	181	134 Å²	134	85%	0.846	79%	0.786	S	S	*	*			trans	-81.4	179.7	-171.2	-71.6	-176.8	162.5	0	0	117.6
870	A	27.5	Very low	28.1	Very low	86 Å²	86	131 Å²	131	71%	0.711	79%	0.785	S	S	*	*			cis	-177.4	160.4	-34.7	0	0	0	0	0	111.6
871	A	27.1	Very low	28	Very low	107 Å²	107	130.2 Å²	130.2	88%	0.884	79%	0.791	S	S	*	*			trans	60.4	154.8	167.3	0	0	0	0	0	119.6
872	G	24.2	Very low	28	Very low	65 Å²	65	126.6 Å²	126.6	67%	0.67	79%	0.786	S	S	*	*			cis	130.7	99.3	-12.7	0	0	0	0	0	115.5
873	F	24.3	Very low	28	Very low	222 Å²	222	129.7 Å²	129.7	97%	0.974	80%	0.797	S	S	*	*			trans	-164	155.6	166.1	-115.7	-76.9	0	0	0	113.5
874	A	27.8	Very low	28	Very low	80 Å²	80	131.9 Å²	131.9	66%	0.661	79%	0.794	S	S	*	*			trans	-141.2	161.5	167.5	0	0	0	0	0	109.6
875	P	41.2	Very low	27	Very low	134 Å²	134	132.2 Å²	132.2	87%	0.87	79%	0.79	S	S	*	*				-152.6	-173.6	104.8	40.1	-21.5	0	0	0	115.5
876	S	27.9	Very low	27	Very low	108 Å²	108	135.3 Å²	135.3	76%	0.755	79%	0.794	S	S	*	*			trans	-105.7	162.6	-176.3	54.6	0	0	0	0	114.7
877	E	29.2	Very low	27	Very low	195 Å²	195	134.8 Å²	134.8	91%	0.911	79%	0.786	S	S	*	*				-169.6	175.9	128.9	-112.9	175.7	-168.7	0	0	114.6
878	Q	27.9	Very low	26.9	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	79%	0.788	S	S	*	*			trans	-116.4	153.8	-169.9	-51.9	170.6	-46.7	0	0	112.9
879	I	25.6	Very low	26.7	Very low	176 Å²	176	133.7 Å²	133.7	90%	0.903	79%	0.788	S	S	*	*			trans	-141.2	154.6	153.7	-67.2	-168.9	0	0	0	110.5
880	S	26.4	Very low	26.7	Very low	115 Å²	115	129.6 Å²	129.6	80%	0.804	78%	0.779	S	S	*	*			trans	-108.8	167.4	-168.5	57.7	0	0	0	0	115.8
881	G	23.7	Very low	26.7	Very low	72 Å²	72	132.5 Å²	132.5	74%	0.742	78%	0.782	S	S	*	*			trans	136.9	113.1	134.5	0	0	0	0	0	119.9
882	S	23.7	Very low	26.6	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	78%	0.778	S	S	*	*			trans	-19.8	146.9	155.2	53.8	0	0	0	0	121.2
883	T	24.4	Very low	26.6	Very low	146 Å²	146	134.5 Å²	134.5	90%	0.896	78%	0.777	S	S	*	*				-171.1	171	115.7	17.3	0	0	0	0	114.6
884	E	24.8	Very low	26.7	Very low	162 Å²	162	133 Å²	133	76%	0.757	77%	0.773	S	S	*	*			trans	-101.2	179.1	-159.1	-52.5	173.1	162.3	0	0	117.6
885	N	25.2	Very low	26.4	Very low	118 Å²	118	134 Å²	134	63%	0.631	77%	0.773	S	S	*	*			trans	73.3	118.5	145.8	-59.4	-28.7	0	0	0	123.1
886	H	26.2	Very low	25.7	Very low	162 Å²	162	132.7 Å²	132.7	75%	0.75	76%	0.763	S	S	*	*				-178.3	137.6	101.6	-86.3	-65.2	0	0	0	108
887	E	26.2	Very low	25.7	Very low	145 Å²	145	134 Å²	134	68%	0.678	76%	0.762	S	S	*	*				71.3	143.3	56.1	-68.4	-161.2	112.5	0	0	115.1
888	T	25.8	Very low	25.5	Very low	110 Å²	110	131 Å²	131	68%	0.675	75%	0.751	S	S	*	*			cis	-165.6	161.5	-17.7	21.7	0	0	0	0	109
889	T	23.9	Very low	25.3	Very low	130 Å²	130	128.2 Å²	128.2	80%	0.798	74%	0.742	S	S	*	*			trans	162.5	131	139.4	42.6	0	0	0	0	108.6
890	S	26.8	Very low	25.3	Very low	94 Å²	94	126.1 Å²	126.1	66%	0.657	73%	0.733	S	S	*	*			cis	78.7	150.4	28.4	87.3	0	0	0	0	115.2
891	L	28.5	Very low	25.2	Very low	147 Å²	147	128.9 Å²	128.9	77%	0.77	73%	0.733	S	S	*	*			cis	-103.2	-144.9	-0.5	-66.9	159.6	0	0	0	109.7
892	D	24.1	Very low	25.3	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	74%	0.738	S	S	*	*			cis	-153.4	166	3.9	-86.8	-59.5	0	0	0	107.6
893	G	25.2	Very low	25.3	Very low	61 Å²	61	135.1 Å²	135.1	63%	0.629	74%	0.74	S	S	*	*			cis	172.2	137	-8.6	0	0	0	0	0	112.9
894	E	26.7	Very low	25.4	Very low	192 Å²	192	136 Å²	136	90%	0.897	73%	0.734	S	S	*	*			trans	62.9	157.8	160.4	-57	-162.4	139.4	0	0	119.8
895	C	22.2	Very low	25.4	Very low	99 Å²	99	135.8 Å²	135.8	67%	0.669	73%	0.733	S	S	*	*			cis	-175.1	168.6	-22.3	-94	0	0	0	0	106.6
896	T	25.7	Very low	25.3	Very low	108 Å²	108	134.8 Å²	134.8	66%	0.663	74%	0.735	S	S	*	*			cis	-170.6	157.7	-5.2	21.9	0	0	0	0	109.2
897	D	26.9	Very low	25.3	Very low	135 Å²	135	135.8 Å²	135.8	72%	0.722	74%	0.74	S	S	*	*			trans	63.7	158.3	147.4	-63.6	-3.9	0	0	0	120.9
898	L	25.5	Very low	25.3	Very low	132 Å²	132	134.7 Å²	134.7	69%	0.691	74%	0.743	S	S	*	*			cis	-162.8	160.9	-17.6	-108.3	169.2	0	0	0	111.2
899	D	24.9	Very low	25.3	Very low	126 Å²	126	137.8 Å²	137.8	67%	0.674	75%	0.75	S	S	*	*			trans	64.4	123	144.7	-85.8	5.3	0	0	0	127.2
900	N	25.5	Very low	25.4	Very low	132 Å²	132	140 Å²	140	71%	0.706	75%	0.752	S	S	*	*				91.5	139	122.9	-79.2	-44.6	0	0	0	126.5
901	Q	24.1	Very low	25.3	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	76%	0.759	S	S	*	*			trans	-72.6	166.9	-176.8	-54.3	162.1	-2.6	0	0	115
902	V	24.7	Very low	25.2	Very low	140 Å²	140	141.1 Å²	141.1	85%	0.848	76%	0.76	S	S	*	*				-173.3	164	116.2	143.3	0	0	0	0	111.2
903	Q	24.7	Very low	25.3	Very low	173 Å²	173	139.2 Å²	139.2	81%	0.808	76%	0.758	S	S	*	*			trans	-93	161.7	-173.1	-54.1	157	-88	0	0	113.1
904	E	25.5	Very low	26.3	Very low	163 Å²	163	141.1 Å²	141.1	76%	0.762	76%	0.76	S	S	*	*				178.1	135.2	107.9	-91.3	-159.9	127.1	0	0	116.5
905	Q	24.3	Very low	26.2	Very low	159 Å²	159	138.8 Å²	138.8	74%	0.743	75%	0.754	S	S	*	*			trans	43.8	142.2	139.9	-54	-168.4	41.1	0	0	126.8
906	S	24.3	Very low	26.7	Very low	96 Å²	96	140 Å²	140	67%	0.671	76%	0.758	S	S	*	*			trans	74.9	101.9	139.7	63.3	0	0	0	0	124.2
907	E	26.3	Very low	26.7	Very low	183 Å²	183	139.6 Å²	139.6	86%	0.855	76%	0.759	S	S	*	*				61.7	149.5	119.8	-65.7	-174	158.9	0	0	124.9
908	T	25.3	Very low	26.6	Very low	122 Å²	122	145.4 Å²	145.4	75%	0.748	77%	0.771	S	S	*	*			trans	71.7	112.6	166.4	45.4	0	0	0	0	120.9
909	E	26.2	Very low	26.7	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	78%	0.779	S	S	*	*				30.6	138.9	124.5	-64.1	165.8	-178.5	0	0	119.6
910	E	25.4	Very low	27.1	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	79%	0.788	S	S	*	*			cis	-157.6	152	17.7	-146	175.8	-164.1	0	0	113
911	D	25.5	Very low	27.7	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	80%	0.798	S	S	*	*			trans	67.9	153.4	155.2	-143	3.8	0	0	0	123.3
912	S	26.9	Very low	28.4	Very low	113 Å²	113	144 Å²	144	79%	0.79	80%	0.798	S	S	*	*			trans	78.5	138.4	171.7	73.8	0	0	0	0	120.7
913	S	25.2	Very low	29.3	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	79%	0.792	S	S	*	*			trans	-98.7	176.8	-176	58.7	0	0	0	0	111.7
914	P	46.9	Very low	30.8	Very low	102 Å²	102	140.7 Å²	140.7	66%	0.662	78%	0.781	S	S	*	*			cis	-143.7	-157.7	20.9	44.8	-23.8	0	0	0	116.2
915	N	25.1	Very low	32.2	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	77%	0.774	S	S	*	*			trans	73.9	145.4	166	-73.7	-6	0	0	0	117.3
916	V	31	Very low	33.4	Very low	125 Å²	125	137.1 Å²	137.1	76%	0.758	77%	0.771	S	S	*	*			cis	-159.6	164.4	-7.9	-100.1	0	0	0	0	107.5
917	S	26.8	Very low	34.7	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	76%	0.758	S	S	*	*			cis	-167.8	177.5	-10.6	49.9	0	0	0	0	109
918	W	25.2	Very low	36	Very low	257 Å²	257	130.5 Å²	130.5	97%	0.973	74%	0.738	S	S	*	*			trans	-117.3	153	159.2	-93.8	43.9	0	0	0	109.7
919	G	27.5	Very low	37.4	Very low	83 Å²	83	129.2 Å²	129.2	86%	0.856	73%	0.725	S	S	*	*			trans	-113.4	122	-172.2	0	0	0	0	0	114.6
920	T	33.6	Very low	38.9	Very low	140 Å²	140	123.4 Å²	123.4	86%	0.859	71%	0.707	S	S	*	*			trans	-123.9	138.7	175.2	-23.6	0	0	0	0	109.7	A922	T920-A922 PolarHBondContact O-N 3.13Å
921	K	37.3	Very low	40.2	Very low	213 Å²	213	119.3 Å²	119.3	93%	0.926	69%	0.691	S	S	*	*			trans	-80	111.2	172.1	-75.7	-175.3	176	179	0	110
922	A	37.8	Very low	41.7	Very low	97 Å²	97	120.3 Å²	120.3	80%	0.802	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-88.8	154.8	168.5	0	0	0	0	0	111.4	T920	T920-A922 PolarHBondContact O-N 3.13Å
923	Q	45.4	Very low	43	Very low	156 Å²	156	119.7 Å²	119.7	73%	0.729	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-77.4	160.3	168.4	-76.2	175.9	-63.1	0	0	111.4
924	P	55.8	Low	44.6	Very low	87 Å²	87	121.4 Å²	121.4	57%	0.565	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-64.8	134.8	176.4	-19.2	32.8	0	0	0	112.1	D926 S927	P924-D926 PolarHBondContact O-N 3.26Å; P924-S927 WeakPolarHBondContact O-CB 3.39Å; P924-S927 PolarHBondContact O-N 2.95Å; P924-S927 VanDerWaalsContact O-N 3.09Å
925	I	55.1	Low	45.1	Very low	120 Å²	120	121.8 Å²	121.8	62%	0.615	66%	0.664	S	S	*	*	H	α-helix	trans	-57.9	-32.2	177.7	-75.2	171.3	0	0	0	111.8	S927 I928 L929	I925-S927 PolarHBondContact O-N 3.33Å; I925-I928 PolarHBondContact O-N 3.03Å; I925-L929 HydrophobicContact CG2-CD1 3.75Å; I925-L929 HydrophobicContact CG2-CG 4.1Å; I925-L929 PolarHBondContact O-N 3.2Å
926	D	49.3	Very low	46.8	Very low	128 Å²	128	119.1 Å²	119.1	68%	0.684	65%	0.648	S	S	*	*	H	α-helix	trans	-61.6	-24.5	179.1	-50.2	-50	0	0	0	113.2	P924 A930	P924-D926 PolarHBondContact O-N 3.26Å; D926-A930 PolarHBondContact O-N 2.99Å
927	S	51.4	Low	48.1	Very low	56 Å²	56	119.7 Å²	119.7	39%	0.392	64%	0.643	S	S	.	*	H	α-helix	trans	-74.4	-43.5	173	-162.5	0	0	0	0	111.4	P924 I925 L929 A930 D931	P924-S927 WeakPolarHBondContact O-CB 3.39Å; P924-S927 PolarHBondContact O-N 2.95Å; P924-S927 VanDerWaalsContact O-N 3.09Å; I925-S927 PolarHBondContact O-N 3.33Å; S927-L929 VanDerWaalsContact C-N 3.26Å; S927-L929 PolarHBondContact O-N 3.04Å; S927-A930 WeakPolarHBondContact O-CB 3.36Å; S927-A930 PolarHBondContact O-N 3.49Å; S927-D931 PolarHBondContact O-N 3.38Å
928	I	54	Low	49.5	Very low	84 Å²	84	117 Å²	117	43%	0.431	63%	0.627	S	S	.	*	H	α-helix	trans	-66.3	-34.5	179.7	-55.9	174.4	0	0	0	110.2	I925 A930 W932	I925-I928 PolarHBondContact O-N 3.03Å; I928-A930 VanDerWaalsContact C-N 3.32Å; I928-W932 WeakPolarHBondContact O-CB 3.29Å; I928-W932 VanDerWaalsContact O-CD1 3.29Å; I928-W932 PolarHBondContact O-N 3.42Å; I928-W932 VanDerWaalsContact O-N 3.11Å
929	L	53.4	Low	50.7	Low	94 Å²	94	112 Å²	112	49%	0.492	61%	0.612	S	S	.	*	H	α-helix	trans	-73.5	-18.3	172.9	-68.1	174.8	0	0	0	113.6	I925 S927 N933	I925-L929 HydrophobicContact CG2-CD1 3.75Å; I925-L929 HydrophobicContact CG2-CG 4.1Å; I925-L929 PolarHBondContact O-N 3.2Å; S927-L929 VanDerWaalsContact C-N 3.26Å; S927-L929 PolarHBondContact O-N 3.04Å; L929-N933 PolarHBondContact O-ND2 3.07Å
930	A	58.3	Low	51.7	Low	54 Å²	54	113.7 Å²	113.7	45%	0.446	60%	0.598	S	S	.	*	H	α-helix	trans	-74.6	-56.9	170.6	0	0	0	0	0	109.6	D926 S927 I928 W932 N933 E934	D926-A930 PolarHBondContact O-N 2.99Å; S927-A930 WeakPolarHBondContact O-CB 3.36Å; S927-A930 PolarHBondContact O-N 3.49Å; I928-A930 VanDerWaalsContact C-N 3.32Å; A930-W932 VanDerWaalsContact C-N 3.29Å; A930-W932 PolarHBondContact O-N 3.19Å; A930-N933 PolarHBondContact O-N 3.37Å; A930-E934 PolarHBondContact O-N 3.16Å; A930-E934 VanDerWaalsContact O-N 3.13Å
931	D	52.6	Low	52.4	Low	90 Å²	90	112.8 Å²	112.8	48%	0.481	59%	0.585	S	S	.	*	H	α-helix	trans	-52.2	-45.4	179.3	-55.4	-2	0	0	0	111.6	S927 N933 E934 D935	S927-D931 PolarHBondContact O-N 3.38Å; D931-N933 VanDerWaalsContact C-N 3.32Å; D931-N933 PolarHBondContact O-N 3.03Å; D931-E934 PolarHBondContact O-N 3.27Å; D931-D935 PolarHBondContact O-N 3.38Å
932	W	58	Low	52.7	Low	173 Å²	173	108.4 Å²	108.4	66%	0.655	57%	0.57	S	S	*	*	H	α-helix	trans	-65.9	-26.4	178.9	-89.3	53.7	0	0	0	114.8	I928 A930 I936	I928-W932 WeakPolarHBondContact O-CB 3.29Å; I928-W932 VanDerWaalsContact O-CD1 3.29Å; I928-W932 PolarHBondContact O-N 3.42Å; I928-W932 VanDerWaalsContact O-N 3.11Å; A930-W932 VanDerWaalsContact C-N 3.29Å; A930-W932 PolarHBondContact O-N 3.19Å; W932-I936 WeakPolarHBondContact O-CD1 3.35Å; W932-I936 VanDerWaalsContact O-CG1 3.25Å; W932-I936 WeakPolarHBondContact O-CG1 3.41Å; W932-I936 PolarHBondContact O-N 3.23Å
933	N	53.2	Low	52.9	Low	101 Å²	101	111.4 Å²	111.4	54%	0.54	57%	0.567	S	S	.	*	H	α-helix	trans	-81.2	-35	175	-77.3	-53.4	0	0	0	111.1	L929 A930 D931 I936 E937	L929-N933 PolarHBondContact O-ND2 3.07Å; A930-N933 PolarHBondContact O-N 3.37Å; D931-N933 VanDerWaalsContact C-N 3.32Å; D931-N933 PolarHBondContact O-N 3.03Å; N933-I936 PolarHBondContact O-N 2.81Å; N933-E937 PolarHBondContact O-N 3.29Å
934	E	58.8	Low	52.8	Low	147 Å²	147	110.6 Å²	110.6	69%	0.687	56%	0.561	S	S	*	*	H	α-helix	trans	-66.5	-40.3	176.1	-161.4	164	-141.1	0	0	111.3	A930 D931 I936 E937 A938	A930-E934 PolarHBondContact O-N 3.16Å; A930-E934 VanDerWaalsContact O-N 3.13Å; D931-E934 PolarHBondContact O-N 3.27Å; E934-I936 VanDerWaalsContact C-N 3.32Å; E934-I936 PolarHBondContact O-N 3.03Å; E934-E937 PolarHBondContact O-N 3.23Å; E934-A938 WeakPolarHBondContact O-CB 3.41Å; E934-A938 PolarHBondContact O-N 2.99Å
935	D	57.4	Low	52.2	Low	110 Å²	110	113.7 Å²	113.7	59%	0.588	57%	0.573	S	S	*	*	H	α-helix	trans	-61.6	-34.8	170.7	-88.5	-20.9	0	0	0	113.1	D931 F939	D931-D935 PolarHBondContact O-N 3.38Å; D935-F939 PolarHBondContact O-N 2.95Å
936	I	60.9	Low	51.7	Low	87 Å²	87	116.9 Å²	116.9	45%	0.446	59%	0.586	S	S	.	*	H	α-helix	trans	-75.1	-42.7	178.2	-73	169.7	0	0	0	111.3	W932 N933 E934 A938 F939 E940	W932-I936 WeakPolarHBondContact O-CD1 3.35Å; W932-I936 VanDerWaalsContact O-CG1 3.25Å; W932-I936 WeakPolarHBondContact O-CG1 3.41Å; W932-I936 PolarHBondContact O-N 3.23Å; N933-I936 PolarHBondContact O-N 2.81Å; E934-I936 VanDerWaalsContact C-N 3.32Å; E934-I936 PolarHBondContact O-N 3.03Å; I936-A938 VanDerWaalsContact C-N 3.27Å; I936-A938 PolarHBondContact O-N 2.72Å; I936-F939 PolarHBondContact O-N 3.18Å; I936-E940 PolarHBondContact O-N 3.44Å
937	E	58.3	Low	51	Low	137 Å²	137	121.1 Å²	121.1	64%	0.64	61%	0.607	S	S	*	*	H	α-helix	trans	-63.1	-34.9	174.1	-71.9	-165.9	157.6	0	0	111.6	N933 E934 E940 M941	N933-E937 PolarHBondContact O-N 3.29Å; E934-E937 PolarHBondContact O-N 3.23Å; E937-E940 PolarHBondContact O-N 2.95Å; E937-M941 WeakPolarHBondContact O-CG 3.25Å; E937-M941 PolarHBondContact O-N 3.41Å
938	A	56.5	Low	51	Low	44 Å²	44	124.4 Å²	124.4	36%	0.364	62%	0.618	S	S	.	*	H	α-helix	trans	-62.1	-42.4	171.9	0	0	0	0	0	112.6	E934 I936 M941 M942	E934-A938 WeakPolarHBondContact O-CB 3.41Å; E934-A938 PolarHBondContact O-N 2.99Å; I936-A938 VanDerWaalsContact C-N 3.27Å; I936-A938 PolarHBondContact O-N 2.72Å; A938-M941 PolarHBondContact O-N 3.07Å; A938-M942 PolarHBondContact O-N 3.35Å; A938-M942 VanDerWaalsContact O-N 3.09Å
939	F	50.3	Low	50.8	Low	150 Å²	150	126.5 Å²	126.5	66%	0.658	63%	0.627	S	S	*	*	H	α-helix	trans	-66.7	-41.7	175.4	-105.5	-85.9	0	0	0	113	D935 I936 M941 M942 E943	D935-F939 PolarHBondContact O-N 2.95Å; I936-F939 PolarHBondContact O-N 3.18Å; F939-M941 PolarHBondContact O-N 3.42Å; F939-M942 PolarHBondContact O-N 3.22Å; F939-E943 PolarHBondContact O-N 3.11Å; F939-E943 VanDerWaalsContact O-N 3.12Å
940	E	47.8	Very low	50.7	Low	120 Å²	120	128.3 Å²	128.3	56%	0.561	64%	0.635	S	S	*	*	H	α-helix	trans	-70.5	-16.5	176.7	-75.6	-158.2	-175.6	0	0	114.3	I936 E937 K944	I936-E940 PolarHBondContact O-N 3.44Å; E937-E940 PolarHBondContact O-N 2.95Å; E940-K944 PolarHBondContact O-NZ 3.17Å
941	M	47.9	Very low	50.2	Low	120 Å²	120	132.6 Å²	132.6	59%	0.591	65%	0.646	S	S	*	*	H	α-helix	trans	-81.5	-42.5	167.4	-74.6	-170.6	-71.6	0	0	111.5	E937 A938 F939 E943 K944	E937-M941 WeakPolarHBondContact O-CG 3.25Å; E937-M941 PolarHBondContact O-N 3.41Å; A938-M941 PolarHBondContact O-N 3.07Å; F939-M941 PolarHBondContact O-N 3.42Å; M941-E943 VanDerWaalsContact C-N 3.35Å; M941-E943 PolarHBondContact O-N 3.38Å; M941-K944 PolarHBondContact O-N 3.39Å; M941-K944 VanDerWaalsContact O-N 3.11Å
942	M	43.6	Very low	50.1	Low	122 Å²	122	135.3 Å²	135.3	60%	0.601	66%	0.656	S	S	*	*	H	α-helix	trans	-59.3	-40.6	176.1	-79.9	175.3	44.3	0	0	113.2	A938 F939 K944 D945	A938-M942 PolarHBondContact O-N 3.35Å; A938-M942 VanDerWaalsContact O-N 3.09Å; F939-M942 PolarHBondContact O-N 3.22Å; M942-K944 PolarHBondContact O-N 3.12Å; M942-D945 PolarHBondContact O-N 3.22Å
943	E	43.9	Very low	49.6	Very low	160 Å²	160	132.8 Å²	132.8	75%	0.748	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-9.2	179.1	-159	174.1	-142.5	0	0	113.4	F939 M941	F939-E943 PolarHBondContact O-N 3.11Å; F939-E943 VanDerWaalsContact O-N 3.12Å; M941-E943 VanDerWaalsContact C-N 3.35Å; M941-E943 PolarHBondContact O-N 3.38Å
944	K	41.4	Very low	49.3	Very low	138 Å²	138	135.1 Å²	135.1	60%	0.6	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-25	174.8	-82.3	177.3	-171.2	104.3	0	114.6	E940 M941 M942	E940-K944 PolarHBondContact O-NZ 3.17Å; M941-K944 PolarHBondContact O-N 3.39Å; M941-K944 VanDerWaalsContact O-N 3.11Å; M942-K944 PolarHBondContact O-N 3.12Å
945	D	43.6	Very low	48.6	Very low	153 Å²	153	134.2 Å²	134.2	82%	0.818	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-2.6	-176.7	-79.7	-7.9	0	0	0	113.4	M942	M942-D945 PolarHBondContact O-N 3.22Å
946	E	44	Very low	47.8	Very low	187 Å²	187	136.2 Å²	136.2	87%	0.874	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	25.8	173.2	-65.5	-156.5	140.7	0	0	114.3
947	L	35.6	Very low	46.6	Very low	216 Å²	216	140.6 Å²	140.6	100%	1.131	69%	0.69	S	S	*	*			trans	-123.1	0	-178.3	-97.3	170.8	0	0	0	115.9

Retrieved 947 of 947 residues in 995.1 ms (Link to these results)

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