A0A077Z8D6_TRITR Loading...

Phosphatidylinositol 4-kinase beta

AlphaFold DB , UniProt , Accession A0A077Z8D6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 813 aa.

						>A0A077Z8D6_TRITR|A0A077Z8D6
MGALMESTYQSVCPHGRLLDSVTCAKCTLEQAFDLTAKCPVIQQDNDVRGTNSAASSENDSMHKENNSIVLCAGEVPSTVQSAAVNPAVIPVSQSSGTRQSLLLRLFESKVFDMRIAIQYLFSSKEPGVLTYLGILFPHLCVDCSILIVFSKNAFAEEDVDFYLPQLVSLYINEREIAEVLHPYFLHSHIVSVSMLRCRKSVEFSLKTAWLLDAFGVESLRGCKRRTHGLKLKNLILSEQIRPKCQASEKMLRTNLTIVPAFAVSDKKGHYRSRSDATADHSRVLKRENSVSSLRSLYSHSGDLSTGRAFDNGCCCHKASEEAVTVLNESVRDCVCNAPRLMPEAEFVKCLTAIGYRLRTICNREDRSSRLAAELAMLNLNLPARVWLPIYSEFPHHIVRIPPNAGVVLNSKDKAPYLLYVEAVEVSEKSSPFPLAQKSDSLSQVSVESTTSADSKDLGVVITANEVRRRLTESLSAPNKQLKSFEISVLRPHRNNKSCFQHSNEDPSASVLSEPWIEKAKRIRENSPYGNLPGWRLLPVMVKTGDDLRQELLAYQIMCQLQEIWNLERVPLRLRLYKTLVISRDAGMIEPVVNAVSLHQVPKTIEVMDVYIKRSLTADGKKNCTVLDHFLSEFGEFNSEEFLTAQNNFIRSCAAYCLMCYLLQVKDRHNGNILLDAEGHIIHIDFGYILSSSPKNLGFECSPFKLTDEIIEVMGGPQSEMFNYFKILMLQGLIAARKHHERILTIVEIMLSGSQLPCFRGGGTVIRDLRARFHVNCTDEKLHALIDDMVETSRRSITTRLYDNFQYFTNGIL
					

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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	31.9	Very low	29.9	Very low	251 Å²	251	141.5 Å²	141.5	100%	1.236	80%	0.795	S	S	*	*				0	103.6	0	-63.2	179.6	-167.9	0	0	106.2
2	G	30.1	Very low	29.9	Very low	82 Å²	82	137.4 Å²	137.4	85%	0.845	78%	0.775	S	S	*	*			cis	130.6	71.8	21	0	0	0	0	0	107.2
3	A	28.7	Very low	30	Very low	100 Å²	100	129.3 Å²	129.3	83%	0.826	73%	0.732	S	S	*	*			trans	-142.3	92.3	174.8	0	0	0	0	0	109.2	M5	A3-M5 PolarHBondContact O-N 3.44Å
4	L	27.7	Very low	30	Very low	171 Å²	171	126.2 Å²	126.2	90%	0.895	72%	0.72	S	S	*	*			trans	-70.3	111.4	160.2	-82.4	148.5	0	0	0	107
5	M	29.5	Very low	30.5	Very low	187 Å²	187	123.3 Å²	123.3	92%	0.921	70%	0.698	S	S	*	*			trans	-98.2	98.9	159.3	-93.6	-165.8	163.1	0	0	107.6	A3 S7	A3-M5 PolarHBondContact O-N 3.44Å; M5-S7 PolarHBondContact O-N 3.2Å
6	E	28	Very low	30.4	Very low	172 Å²	172	119.5 Å²	119.5	80%	0.804	69%	0.694	S	S	*	*			trans	-64.2	109.7	161.6	-76.8	171.6	149.9	0	0	108.4	T8	E6-T8 PolarHBondContact O-N 3.41Å
7	S	29.6	Very low	30.3	Very low	101 Å²	101	123.9 Å²	123.9	71%	0.706	70%	0.696	S	S	*	*			trans	-86.7	88.3	166.3	62.6	0	0	0	0	108.7	M5 Y9	M5-S7 PolarHBondContact O-N 3.2Å; S7-Y9 PolarHBondContact O-N 3.08Å
8	T	29.9	Very low	30.2	Very low	114 Å²	114	123.6 Å²	123.6	70%	0.699	69%	0.692	S	S	*	*			trans	-65.2	111.1	169	-37	0	0	0	0	108.4	E6 Q10	E6-T8 PolarHBondContact O-N 3.41Å; T8-Q10 VanDerWaalsContact C-N 3.25Å; T8-Q10 PolarHBondContact O-N 3.22Å
9	Y	32.9	Very low	30.4	Very low	189 Å²	189	124.7 Å²	124.7	74%	0.741	70%	0.695	S	S	*	*			trans	-70.1	84.3	169.1	-96.2	-97.7	0	0	0	108.6	S7	S7-Y9 PolarHBondContact O-N 3.08Å
10	Q	29.4	Very low	30.4	Very low	110 Å²	110	125.2 Å²	125.2	51%	0.514	70%	0.697	S	S	.	*			trans	-71.1	129.4	163.7	-78.3	176.1	-32.7	0	0	108.5	T8 V12	T8-Q10 VanDerWaalsContact C-N 3.25Å; T8-Q10 PolarHBondContact O-N 3.22Å; Q10-V12 WeakPolarHBondContact O-CG2 3.38Å; Q10-V12 PolarHBondContact O-N 3.06Å
11	S	31.3	Very low	30.8	Very low	79 Å²	79	124 Å²	124	55%	0.552	70%	0.697	S	S	*	*			trans	-61.1	102.5	175.7	64.4	0	0	0	0	109.9	R573	S11-R573 PolarHBondContact OG-NH2 2.9Å
12	V	30.1	Very low	30.9	Very low	93 Å²	93	119.1 Å²	119.1	56%	0.564	68%	0.681	S	S	*	*			trans	-75.1	128.6	174.8	-170.9	0	0	0	0	107.8	Q10 G16	Q10-V12 WeakPolarHBondContact O-CG2 3.38Å; Q10-V12 PolarHBondContact O-N 3.06Å; V12-G16 VanDerWaalsContact CG1-CA 3.47Å
13	C	31.6	Very low	31.3	Very low	32 Å²	32	118.7 Å²	118.7	22%	0.216	66%	0.662	C	S	.	*			trans	-53.3	149.3	168.2	168.1	0	0	0	0	109.3	H15 G16	C13-H15 PolarHBondContact O-N 2.67Å; C13-G16 PolarHBondContact O-N 3.39Å
14	P	29.8	Very low	31.3	Very low	86 Å²	86	117.2 Å²	117.2	56%	0.558	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-3.8	174.2	16.3	-28.8	0	0	0	115.7
15	H	36.9	Very low	31.7	Very low	83 Å²	83	110.4 Å²	110.4	38%	0.384	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.8	20.9	173.8	-54.8	95.5	0	0	0	114.3	C13 R17	C13-H15 PolarHBondContact O-N 2.67Å; H15-R17 VanDerWaalsContact C-N 3.3Å; H15-R17 PolarHBondContact O-N 3.26Å; H15-R17 VanDerWaalsContact O-N 3.1Å
16	G	29.1	Very low	31.9	Very low	62 Å²	62	109.4 Å²	109.4	64%	0.639	60%	0.603	S	S	*	*			trans	69.7	12.2	168.7	0	0	0	0	0	117.1	V12 C13	V12-G16 VanDerWaalsContact CG1-CA 3.47Å; C13-G16 PolarHBondContact O-N 3.39Å
17	R	28.6	Very low	32.3	Very low	194 Å²	194	103.7 Å²	103.7	73%	0.732	58%	0.582	S	S	*	*			trans	-99.6	130.9	179.6	-62.2	-172.1	-152.8	-155.8	5.2	112.6	H15	H15-R17 VanDerWaalsContact C-N 3.3Å; H15-R17 PolarHBondContact O-N 3.26Å; H15-R17 VanDerWaalsContact O-N 3.1Å
18	L	28.8	Very low	33	Very low	118 Å²	118	99.7 Å²	99.7	62%	0.618	55%	0.554	S	S	*	*			trans	-65.8	126.1	165.6	-74.8	157.7	0	0	0	109.3
19	L	33.1	Very low	33.5	Very low	145 Å²	145	96.2 Å²	96.2	76%	0.759	53%	0.53	S	S	*	.			trans	-101.4	101.3	167.3	-84.6	162.8	0	0	0	107.9
20	D	30.2	Very low	33.9	Very low	135 Å²	135	94.1 Å²	94.1	72%	0.722	53%	0.527	S	S	*	.			trans	-76	121.2	166.5	-70.6	-34.4	0	0	0	109.5
21	S	40.2	Very low	34.4	Very low	99 Å²	99	94.3 Å²	94.3	69%	0.692	53%	0.528	S	S	*	.				152.1	115.2	129.4	71.7	0	0	0	0	111.3	T23	S21-T23 PolarHBondContact O-N 3.11Å
22	V	33.4	Very low	34.8	Very low	149 Å²	149	91.2 Å²	91.2	90%	0.903	51%	0.508	S	S	*	.			trans	-65.4	112.4	165.7	176.5	0	0	0	0	108.2
23	T	37.7	Very low	35.2	Very low	73 Å²	73	93.1 Å²	93.1	45%	0.448	51%	0.508	S	S	.	.			trans	-107.2	121.3	166.9	49.3	0	0	0	0	109.4	S21	S21-T23 PolarHBondContact O-N 3.11Å
24	C	29	Very low	35.7	Very low	69 Å²	69	97.9 Å²	97.9	47%	0.466	53%	0.532	S	S	.	.			trans	-52.4	142.3	177	174.6	0	0	0	0	112.7	K26 C27 T28	C24-K26 PolarHBondContact O-N 3.41Å; C24-K26 VanDerWaalsContact O-N 3.09Å; C24-C27 WeakPolarHBondContact O-CB 3.33Å; C24-C27 PolarHBondContact O-N 3.08Å; C24-T28 PolarHBondContact O-N 3.47Å; C24-T28 PolarHBondContact O-OG1 2.75Å
25	A	36	Very low	36.1	Very low	28 Å²	28	100.6 Å²	100.6	23%	0.231	54%	0.541	C	S	.	.	H	α-helix	trans	-52.4	-31.2	179.8	0	0	0	0	0	114.2	T28 L29	A25-T28 VanDerWaalsContact C-OG1 3.29Å; A25-T28 VanDerWaalsContact CA-OG1 3.29Å; A25-T28 WeakPolarHBondContact CA-OG1 3.26Å; A25-T28 PolarHBondContact O-N 3.15Å; A25-T28 PolarHBondContact O-OG1 3.23Å; A25-L29 PolarHBondContact O-N 3.04Å
26	K	34	Very low	36.2	Very low	166 Å²	166	102.2 Å²	102.2	72%	0.722	56%	0.557	S	S	*	*	H	α-helix	trans	-66.1	-40.1	173.8	-93.3	-178.4	173.2	178.6	0	113.3	C24 T28 L29 E30	C24-K26 PolarHBondContact O-N 3.41Å; C24-K26 VanDerWaalsContact O-N 3.09Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 2.89Å; K26-L29 PolarHBondContact O-N 3.01Å; K26-E30 PolarHBondContact O-N 3.45Å
27	C	36.9	Very low	36.5	Very low	53 Å²	53	102.2 Å²	102.2	36%	0.358	55%	0.551	S	S	.	*	H	α-helix	trans	-69.2	-29.7	-179.9	-59.5	0	0	0	0	112	C24 Q31	C24-C27 WeakPolarHBondContact O-CB 3.33Å; C24-C27 PolarHBondContact O-N 3.08Å; C27-Q31 WeakPolarHBondContact O-CB 3.36Å; C27-Q31 VanDerWaalsContact O-CG 3.24Å; C27-Q31 WeakPolarHBondContact O-CG 3.43Å; C27-Q31 PolarHBondContact O-N 3.19Å
28	T	44.7	Very low	36.6	Very low	17 Å²	17	102.7 Å²	102.7	10%	0.104	56%	0.558	C	S	.	*	H	α-helix	trans	-70.9	-30	176	23.7	0	0	0	0	113.9	C24 A25 K26 A32 R651	C24-T28 PolarHBondContact O-N 3.47Å; C24-T28 PolarHBondContact O-OG1 2.75Å; A25-T28 VanDerWaalsContact C-OG1 3.29Å; A25-T28 VanDerWaalsContact CA-OG1 3.29Å; A25-T28 WeakPolarHBondContact CA-OG1 3.26Å; A25-T28 PolarHBondContact O-N 3.15Å; A25-T28 PolarHBondContact O-OG1 3.23Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 2.89Å; T28-A32 VanDerWaalsContact O-CB 3.25Å; T28-A32 WeakPolarHBondContact O-CB 3.23Å; T28-A32 PolarHBondContact O-N 3.4Å; T28-A32 VanDerWaalsContact O-N 3.1Å; T28-R651 VanDerWaalsContact CG2-NH2 3.32Å
29	L	40.7	Very low	36.6	Very low	40 Å²	40	103 Å²	103	21%	0.209	57%	0.569	C	S	.	*	H	α-helix	trans	-70.4	-47.9	172.1	-80	165.4	0	0	0	110.6	A25 K26 Q31 A32 F33 M721	A25-L29 PolarHBondContact O-N 3.04Å; K26-L29 PolarHBondContact O-N 3.01Å; L29-Q31 PolarHBondContact O-N 3.03Å; L29-A32 PolarHBondContact O-N 3.48Å; L29-F33 HydrophobicContact CD2-CE2 4.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.42Å; L29-F33 PolarHBondContact O-N 3.1Å; L29-F33 VanDerWaalsContact O-N 3.15Å; L29-M721 HydrophobicContact CD1-CE 3.92Å
30	E	40.2	Very low	36.4	Very low	146 Å²	146	101.8 Å²	101.8	68%	0.682	57%	0.57	S	S	*	*	H	α-helix	trans	-62.4	-39.2	178	-73.7	179	165.3	0	0	112.6	K26 F33 D34	K26-E30 PolarHBondContact O-N 3.45Å; E30-F33 PolarHBondContact O-N 3.44Å; E30-D34 PolarHBondContact O-N 3.47Å; E30-D34 VanDerWaalsContact O-N 3.16Å
31	Q	40.1	Very low	36.4	Very low	113 Å²	113	101.4 Å²	101.4	53%	0.528	57%	0.572	S	S	.	*	H	α-helix	trans	-70.7	-29.6	175.8	-72.5	175.7	0.1	0	0	113.6	C27 L29	C27-Q31 WeakPolarHBondContact O-CB 3.36Å; C27-Q31 VanDerWaalsContact O-CG 3.24Å; C27-Q31 WeakPolarHBondContact O-CG 3.43Å; C27-Q31 PolarHBondContact O-N 3.19Å; L29-Q31 PolarHBondContact O-N 3.03Å
32	A	40	Very low	35.8	Very low	15 Å²	15	103.8 Å²	103.8	12%	0.124	58%	0.576	C	S	.	*	H	α-helix	trans	-72.2	-31.5	175.9	0	0	0	0	0	112.2	T28 L29 Y724	T28-A32 VanDerWaalsContact O-CB 3.25Å; T28-A32 WeakPolarHBondContact O-CB 3.23Å; T28-A32 PolarHBondContact O-N 3.4Å; T28-A32 VanDerWaalsContact O-N 3.1Å; L29-A32 PolarHBondContact O-N 3.48Å; A32-Y724 HydrophobicContact CB-CE2 4.21Å
33	F	37.7	Very low	35.5	Very low	132 Å²	132	104.5 Å²	104.5	58%	0.579	57%	0.569	S	S	*	*	H	α-helix	trans	-78.8	-33.2	176.3	-77.7	-71.4	0	0	0	113	L29 E30 L35 T36	L29-F33 HydrophobicContact CD2-CE2 4.35Å; L29-F33 WeakPolarHBondContact O-CD2 3.42Å; L29-F33 PolarHBondContact O-N 3.1Å; L29-F33 VanDerWaalsContact O-N 3.15Å; E30-F33 PolarHBondContact O-N 3.44Å; F33-L35 PolarHBondContact O-N 3.49Å; F33-T36 PolarHBondContact O-OG1 3.43Å; F33-T36 VanDerWaalsContact O-OG1 3.11Å
34	D	41.9	Very low	35.2	Very low	132 Å²	132	109.9 Å²	109.9	71%	0.706	59%	0.589	S	S	*	*	H	α-helix	trans	-77.4	-15.4	-178.6	-106.3	-13.7	0	0	0	115.1	E30	E30-D34 PolarHBondContact O-N 3.47Å; E30-D34 VanDerWaalsContact O-N 3.16Å
35	L	38.9	Very low	35.1	Very low	143 Å²	143	113 Å²	113	75%	0.749	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	0.8	-178.4	-73.4	168.5	0	0	0	114.8	F33 A37	F33-L35 PolarHBondContact O-N 3.49Å; L35-A37 VanDerWaalsContact C-N 3.32Å
36	T	38.6	Very low	35	Very low	117 Å²	117	119.7 Å²	119.7	72%	0.718	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-2.3	169.9	53.1	0	0	0	0	113.2	F33	F33-T36 PolarHBondContact O-OG1 3.43Å; F33-T36 VanDerWaalsContact O-OG1 3.11Å
37	A	35.6	Very low	34.8	Very low	63 Å²	63	119.3 Å²	119.3	52%	0.521	64%	0.639	S	S	.	*	S	Bend	trans	-119.5	110.2	175.3	0	0	0	0	0	110.6	L35	L35-A37 VanDerWaalsContact C-N 3.32Å
38	K	31	Very low	34.7	Very low	204 Å²	204	123.6 Å²	123.6	89%	0.887	66%	0.663	S	S	*	*			trans	92.9	93.8	169.9	-53	167.6	-178.8	172.6	0	116.6
39	C	28	Very low	34	Very low	125 Å²	125	134.2 Å²	134.2	85%	0.845	70%	0.701	S	S	*	*			trans	-123.5	122.4	139.7	-103.2	0	0	0	0	108.4
40	P	29.9	Very low	33.5	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	73%	0.727	S	S	*	*			trans	-75	128.9	178.1	29.1	-29.5	0	0	0	110.5	I42	P40-I42 PolarHBondContact O-N 3.02Å
41	V	28.9	Very low	33.3	Very low	128 Å²	128	135.5 Å²	135.5	78%	0.776	74%	0.735	S	S	*	*			trans	-66.3	119.6	170.1	177.6	0	0	0	0	108.5	Q43	V41-Q43 HydrophobicContact CG1-CG 4.16Å; V41-Q43 PolarHBondContact O-N 3.36Å
42	I	29.5	Very low	32.8	Very low	149 Å²	149	137.3 Å²	137.3	76%	0.764	75%	0.749	S	S	*	*			trans	-86.5	99.7	164.6	-61.5	175.4	0	0	0	106.6	P40	P40-I42 PolarHBondContact O-N 3.02Å
43	Q	26	Very low	32.6	Very low	163 Å²	163	142.3 Å²	142.3	76%	0.762	78%	0.783	S	S	*	*			trans	-73.2	122.5	162.1	-79.3	175.6	-55.3	0	0	108.4	V41	V41-Q43 HydrophobicContact CG1-CG 4.16Å; V41-Q43 PolarHBondContact O-N 3.36Å
44	Q	32.1	Very low	32.5	Very low	186 Å²	186	140.3 Å²	140.3	87%	0.869	79%	0.79	S	S	*	*			trans	-111	107.2	156.1	-86.9	-173.5	-17.5	0	0	107.7
45	D	27.4	Very low	32.2	Very low	136 Å²	136	138.6 Å²	138.6	73%	0.727	80%	0.795	S	S	*	*			trans	-60.1	137.2	166.2	-70.3	-46.1	0	0	0	110.5
46	N	33.7	Very low	31.9	Very low	168 Å²	168	136.8 Å²	136.8	90%	0.898	79%	0.794	S	S	*	*			trans	-154.9	106	146	-93.4	-33.5	0	0	0	109.1
47	D	29.2	Very low	31.5	Very low	158 Å²	158	136 Å²	136	85%	0.845	79%	0.794	S	S	*	*			trans	-45.2	142.1	159.1	-82.7	-53	0	0	0	111.9
48	V	34.3	Very low	31.4	Very low	143 Å²	143	141.4 Å²	141.4	87%	0.867	81%	0.808	S	S	*	*				-171.7	129.8	121.4	166.3	0	0	0	0	109.3
49	R	30.5	Very low	31.3	Very low	239 Å²	239	138.6 Å²	138.6	90%	0.902	80%	0.803	S	S	*	*			trans	-52.6	139.2	178	-67.9	170.5	-177.8	-160.9	-2.7	114.4
50	G	30.1	Very low	31.6	Very low	73 Å²	73	140.2 Å²	140.2	75%	0.753	80%	0.803	S	S	*	*			trans	-124.3	117.3	156.9	0	0	0	0	0	110.2
51	T	35.6	Very low	31.5	Very low	140 Å²	140	138.9 Å²	138.9	86%	0.859	80%	0.796	S	S	*	*			trans	-84.1	140.3	174.3	41.4	0	0	0	0	111.6
52	N	30.5	Very low	31.5	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	79%	0.792	S	S	*	*			trans	-67.6	175.7	-175.7	-70.5	-40.3	0	0	0	116.2
53	S	36.2	Very low	31.7	Very low	120 Å²	120	139 Å²	139	84%	0.839	79%	0.786	S	S	*	*			trans	98.2	136.4	152.1	74.4	0	0	0	0	115.8
54	A	34.6	Very low	32.1	Very low	89 Å²	89	138.2 Å²	138.2	74%	0.736	78%	0.781	S	S	*	*			cis	-169.7	159.1	-1.8	0	0	0	0	0	109.4
55	A	34.7	Very low	32.1	Very low	96 Å²	96	136.2 Å²	136.2	79%	0.793	77%	0.771	S	S	*	*			trans	57	146.8	142.1	0	0	0	0	0	119.5
56	S	33.3	Very low	32.2	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	78%	0.775	S	S	*	*			cis	-174.4	139.3	11.2	34.7	0	0	0	0	108.8
57	S	30.5	Very low	32.1	Very low	101 Å²	101	136.5 Å²	136.5	71%	0.706	77%	0.773	S	S	*	*			trans	11.7	138.6	143.9	59.9	0	0	0	0	123.3
58	E	33.9	Very low	32	Very low	176 Å²	176	134.2 Å²	134.2	82%	0.822	77%	0.769	S	S	*	*				168.8	116.4	125.4	-92.1	169.2	-175.7	0	0	110.2
59	N	29	Very low	31.8	Very low	144 Å²	144	134.4 Å²	134.4	77%	0.77	76%	0.764	S	S	*	*				51.5	115	108.3	-72.4	-11.9	0	0	0	115.9
60	D	33.2	Very low	31.5	Very low	159 Å²	159	129.1 Å²	129.1	85%	0.85	76%	0.758	S	S	*	*				169.2	155.9	106.4	-101.3	-26.2	0	0	0	114.8
61	S	27.6	Very low	31.6	Very low	90 Å²	90	132.8 Å²	132.8	63%	0.629	76%	0.76	S	S	*	*			trans	-83	173.5	-172.7	56	0	0	0	0	116.6
62	M	30.3	Very low	31.2	Very low	140 Å²	140	131.6 Å²	131.6	69%	0.69	76%	0.756	S	S	*	*			trans	93.9	137.1	145.1	-81.7	166.5	62.5	0	0	121.6
63	H	33.9	Very low	30.9	Very low	139 Å²	139	129.6 Å²	129.6	64%	0.644	76%	0.76	S	S	*	*			trans	77.5	146.2	153.3	-67.1	-41.4	0	0	0	117.9
64	K	33.2	Very low	30.6	Very low	147 Å²	147	127.6 Å²	127.6	64%	0.639	76%	0.759	S	S	*	*			cis	-172.7	155	2.9	-120.2	169.2	169.4	-170.4	0	108.8
65	E	31.8	Very low	30.1	Very low	145 Å²	145	132.6 Å²	132.6	68%	0.678	77%	0.767	S	S	*	*			trans	55.3	117.6	139	-72.2	161	168.5	0	0	123
66	N	29.3	Very low	29.8	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	77%	0.77	S	S	*	*				38.5	122.5	122.5	-66.5	-17.1	0	0	0	120.2
67	N	31.7	Very low	29.5	Very low	161 Å²	161	135 Å²	135	86%	0.861	77%	0.769	S	S	*	*			trans	-152.9	112.7	130.1	-99.9	-24.7	0	0	0	111.9
68	S	26.8	Very low	29.2	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	77%	0.771	S	S	*	*			trans	-75.6	127.1	163.1	49.9	0	0	0	0	110.1
69	I	30.2	Very low	28.7	Very low	147 Å²	147	132.5 Å²	132.5	75%	0.754	77%	0.766	S	S	*	*			trans	-130.6	112.5	160.5	-66.9	-179.8	0	0	0	108.9	L71	I69-L71 HydrophobicContact CG2-CD1 4.48Å; I69-L71 HydrophobicContact CG2-CG 4.25Å
70	V	25.6	Very low	28.8	Very low	128 Å²	128	132.7 Å²	132.7	78%	0.776	77%	0.772	S	S	*	*			trans	-81.1	124.1	162.5	170	0	0	0	0	107.4
71	L	30.7	Very low	28.6	Very low	151 Å²	151	133.1 Å²	133.1	79%	0.791	77%	0.769	S	S	*	*			trans	-148.6	103.3	157.1	-80	-178.8	0	0	0	111.7	I69	I69-L71 HydrophobicContact CG2-CD1 4.48Å; I69-L71 HydrophobicContact CG2-CG 4.25Å
72	C	28.5	Very low	28.4	Very low	115 Å²	115	134.7 Å²	134.7	78%	0.777	78%	0.78	S	S	*	*			trans	41.8	133.2	131	-58.6	0	0	0	0	122.4
73	A	24.9	Very low	28.4	Very low	110 Å²	110	132.4 Å²	132.4	91%	0.909	78%	0.783	S	S	*	*			trans	-58.7	146.9	163.2	0	0	0	0	0	113
74	G	29	Very low	28.1	Very low	78 Å²	78	130.5 Å²	130.5	80%	0.804	79%	0.792	S	S	*	*			trans	-156.3	112.4	166.8	0	0	0	0	0	109.6
75	E	23.9	Very low	28	Very low	193 Å²	193	130 Å²	130	90%	0.902	80%	0.801	S	S	*	*			trans	-79.2	128.8	166.6	-64.4	175.8	143.1	0	0	109.6
76	V	28.7	Very low	27.8	Very low	142 Å²	142	129.9 Å²	129.9	86%	0.861	81%	0.805	S	S	*	*			trans	-165.1	161	152.9	-126.4	0	0	0	0	110.1
77	P	26.9	Very low	28	Very low	111 Å²	111	128.4 Å²	128.4	72%	0.721	80%	0.803	S	S	*	*				-122.2	179.5	-105.7	37.4	-18.4	0	0	0	113.8
78	S	23.8	Very low	27.9	Very low	107 Å²	107	125.2 Å²	125.2	75%	0.748	80%	0.799	S	S	*	*			trans	-47.9	128.8	165.6	46.1	0	0	0	0	113.9
79	T	24.8	Very low	28.2	Very low	117 Å²	117	126.4 Å²	126.4	72%	0.718	80%	0.801	S	S	*	*			trans	149.6	104.2	140.3	-58.8	0	0	0	0	108.7
80	V	29.9	Very low	28.2	Very low	149 Å²	149	126.5 Å²	126.5	90%	0.903	80%	0.802	S	S	*	*			trans	-131.9	119.2	155.9	-178.3	0	0	0	0	108.1
81	Q	29.2	Very low	28.5	Very low	167 Å²	167	125.4 Å²	125.4	78%	0.78	80%	0.798	S	S	*	*			trans	-66	154.7	178.2	-70.4	161.5	-22.7	0	0	111.4	A83	Q81-A83 PolarHBondContact O-N 3.31Å
82	S	24.2	Very low	28.5	Very low	124 Å²	124	124.8 Å²	124.8	87%	0.867	80%	0.799	S	S	*	*			trans	-47.3	123.6	172.2	50.5	0	0	0	0	113.9
83	A	29.1	Very low	28.6	Very low	92 Å²	92	123.9 Å²	123.9	76%	0.76	80%	0.795	S	S	*	*			trans	-119.2	112.4	156.1	0	0	0	0	0	108	Q81 V85	Q81-A83 PolarHBondContact O-N 3.31Å; A83-V85 PolarHBondContact O-N 2.87Å
84	A	27.8	Very low	28.8	Very low	99 Å²	99	127.7 Å²	127.7	82%	0.818	79%	0.794	S	S	*	*			trans	-67.9	121.1	175.1	0	0	0	0	0	109.6
85	V	31.4	Very low	28.9	Very low	136 Å²	136	128 Å²	128	82%	0.824	78%	0.783	S	S	*	*			trans	-93.8	106.9	168	179.9	0	0	0	0	107.2	A83	A83-V85 PolarHBondContact O-N 2.87Å
86	N	27.5	Very low	29.4	Very low	143 Å²	143	123.7 Å²	123.7	77%	0.765	78%	0.775	S	S	*	*			trans	-63.9	128.7	169.5	-77.1	-33.4	0	0	0	109.2	A88	N86-A88 PolarHBondContact O-N 3.27Å
87	P	32.8	Very low	29.8	Very low	117 Å²	117	121.3 Å²	121.3	76%	0.76	78%	0.779	S	S	*	*			trans	-71.5	113.6	168.8	28.5	-28	0	0	0	107.7	V89	P87-V89 PolarHBondContact O-N 2.81Å
88	A	30.9	Very low	30.7	Very low	94 Å²	94	122 Å²	122	78%	0.777	78%	0.781	S	S	*	*			trans	-63.1	110.7	173.4	0	0	0	0	0	109.2	N86 I90	N86-A88 PolarHBondContact O-N 3.27Å; A88-I90 PolarHBondContact O-N 2.87Å
89	V	32.3	Very low	31.8	Very low	134 Å²	134	128.9 Å²	128.9	81%	0.812	79%	0.79	S	S	*	*			trans	-63.8	110.6	167.7	176.6	0	0	0	0	107.4	P87 P91	P87-V89 PolarHBondContact O-N 2.81Å; V89-P91 WeakPolarHBondContact O-CD 3.3Å
90	I	31.1	Very low	33.5	Very low	150 Å²	150	127.7 Å²	127.7	77%	0.769	78%	0.777	S	S	*	*			trans	-82.4	115.1	167	-59.2	176.1	0	0	0	106.7	A88 V92	A88-I90 PolarHBondContact O-N 2.87Å; I90-V92 PolarHBondContact O-N 3.09Å
91	P	30.9	Very low	35.8	Very low	105 Å²	105	123.8 Å²	123.8	68%	0.682	76%	0.756	S	S	*	*			trans	-70.6	126.2	177.1	27.8	-30.6	0	0	0	109.8	V89 S93	V89-P91 WeakPolarHBondContact O-CD 3.3Å; P91-S93 PolarHBondContact O-N 2.96Å; P91-S93 VanDerWaalsContact O-N 3.08Å
92	V	30.8	Very low	38.6	Very low	137 Å²	137	122.1 Å²	122.1	83%	0.83	75%	0.752	S	S	*	*			trans	-72.7	96.4	170.9	179.1	0	0	0	0	108.2	I90	I90-V92 PolarHBondContact O-N 3.09Å
93	S	30.3	Very low	41.5	Very low	97 Å²	97	118.6 Å²	118.6	68%	0.678	72%	0.723	S	S	*	*			trans	-78.1	114.9	160.9	53	0	0	0	0	108.8	P91 S95	P91-S93 PolarHBondContact O-N 2.96Å; P91-S93 VanDerWaalsContact O-N 3.08Å; S93-S95 PolarHBondContact O-N 3.45Å; S93-S95 VanDerWaalsContact O-N 3.11Å
94	Q	30.1	Very low	44.2	Very low	190 Å²	190	116.6 Å²	116.6	89%	0.888	70%	0.699	S	S	*	*			trans	-64.1	105	167.8	-69.5	179.7	-10.9	0	0	109.1
95	S	30.9	Very low	47	Very low	84 Å²	84	118.1 Å²	118.1	59%	0.587	68%	0.684	S	S	*	*			trans	-154.2	119.5	168.5	60.1	0	0	0	0	111	S93	S93-S95 PolarHBondContact O-N 3.45Å; S93-S95 VanDerWaalsContact O-N 3.11Å
96	S	34.5	Very low	49.6	Very low	103 Å²	103	114 Å²	114	72%	0.72	66%	0.657	S	S	*	*	S	Bend	trans	59.3	124.2	154.6	61	0	0	0	0	118.6	T98	S96-T98 PolarHBondContact O-N 3.38Å
97	G	36.6	Very low	52.4	Low	92 Å²	92	107.5 Å²	107.5	95%	0.948	62%	0.622	S	S	*	*			trans	-49.6	104.9	-175	0	0	0	0	0	114.8
98	T	45.5	Very low	54.9	Low	124 Å²	124	105 Å²	105	76%	0.761	60%	0.6	S	S	*	*			trans	-91.6	128.4	175.9	40.4	0	0	0	0	109.6	S96 Q100	S96-T98 PolarHBondContact O-N 3.38Å; T98-Q100 PolarHBondContact O-N 3.34Å
99	R	47.6	Very low	57.5	Low	252 Å²	252	102.2 Å²	102.2	95%	0.951	58%	0.575	S	S	*	*			trans	-55.5	103.1	174.5	-75.5	176.3	171.6	171.1	-3.1	109.3	S101	R99-S101 PolarHBondContact O-N 3.17Å
100	Q	59.4	Low	60	Low	92 Å²	92	106.2 Å²	106.2	43%	0.43	58%	0.581	S	S	.	*			trans	-55.6	132.8	164.8	-74.4	-178.4	-38.1	0	0	108.4	T98 L104 R105 E108	T98-Q100 PolarHBondContact O-N 3.34Å; Q100-L104 HydrophobicContact CG-CD2 4.36Å; Q100-R105 HydrophobicContact CB-CG 3.9Å; Q100-R105 PolarHBondContact O-NE 3.37Å; Q100-E108 PolarHBondContact NE2-OE2 3.39Å
101	S	79.9	Confident	62.5	Low	68 Å²	68	103.8 Å²	103.8	48%	0.476	57%	0.573	S	S	.	*			trans	-57.2	148.8	178.4	68.8	0	0	0	0	110	R99 L103 L104 R105	R99-S101 PolarHBondContact O-N 3.17Å; S101-L103 PolarHBondContact O-N 2.97Å; S101-L104 PolarHBondContact O-N 3.36Å; S101-L104 VanDerWaalsContact O-N 3.15Å; S101-L104 WeakPolarHBondContact OG-CB 3.43Å; S101-L104 PolarHBondContact OG-N 2.95Å; S101-L104 VanDerWaalsContact OG-N 3.13Å; S101-R105 PolarHBondContact O-N 2.73Å
102	L	86.2	Confident	65.2	Low	131 Å²	131	99.6 Å²	99.6	69%	0.686	54%	0.544	S	S	*	.	H	α-helix	trans	-53.4	-36.4	175.8	-81.6	162.7	0	0	0	111.4	R105 L106	L102-R105 PolarHBondContact O-N 2.79Å; L102-L106 PolarHBondContact O-N 2.9Å
103	L	86.4	Confident	67.9	Low	51 Å²	51	94.8 Å²	94.8	27%	0.267	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-45.2	178.2	-172.6	62.6	0	0	0	112.5	S101 R105 L106 F107 Y120 V129	S101-L103 PolarHBondContact O-N 2.97Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 3.03Å; L103-L106 WeakPolarHBondContact O-CB 3.4Å; L103-L106 PolarHBondContact O-N 3.23Å; L103-F107 HydrophobicContact CD1-CD1 4.26Å; L103-F107 HydrophobicContact CD1-CE1 3.58Å; L103-F107 HydrophobicContact CD1-CE2 4.08Å; L103-F107 HydrophobicContact CD1-CZ 3.48Å; L103-F107 VanDerWaalsContact CD1-CZ 3.48Å; L103-F107 HydrophobicContact CD2-CE2 4.07Å; L103-F107 HydrophobicContact CD2-CZ 4.07Å; L103-F107 HydrophobicContact CG-CD2 4.27Å; L103-F107 HydrophobicContact CG-CE1 4.16Å; L103-F107 HydrophobicContact CG-CE2 3.75Å; L103-F107 HydrophobicContact CG-CZ 3.7Å; L103-F107 WeakPolarHBondContact O-CG 3.35Å; L103-F107 PolarHBondContact O-N 3.01Å; L103-Y120 HydrophobicContact CD1-CD1 4.25Å; L103-Y120 HydrophobicContact CD1-CE1 3.53Å; L103-V129 HydrophobicContact CD2-CG2 3.65Å
104	L	84.4	Confident	70.7	Confident	49 Å²	49	90.3 Å²	90.3	26%	0.257	48%	0.483	S	S	.	.	H	α-helix	trans	-65.2	-39	176.8	-172.2	64.5	0	0	0	110.9	Q100 S101 L106 F107 E108 Y132	Q100-L104 HydrophobicContact CG-CD2 4.36Å; S101-L104 PolarHBondContact O-N 3.36Å; S101-L104 VanDerWaalsContact O-N 3.15Å; S101-L104 WeakPolarHBondContact OG-CB 3.43Å; S101-L104 PolarHBondContact OG-N 2.95Å; S101-L104 VanDerWaalsContact OG-N 3.13Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 3.45Å; L104-F107 PolarHBondContact O-N 2.84Å; L104-E108 HydrophobicContact CD1-CG 4.33Å; L104-E108 HydrophobicContact CG-CG 4.38Å; L104-E108 WeakPolarHBondContact CG-OE1 3.02Å; L104-E108 WeakPolarHBondContact O-CB 3.48Å; L104-E108 WeakPolarHBondContact O-CG 3.29Å; L104-E108 PolarHBondContact O-N 2.95Å; L104-Y132 HydrophobicContact CD1-CE2 3.86Å
105	R	87.3	Confident	73.5	Confident	132 Å²	132	85.1 Å²	85.1	50%	0.498	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-37.7	172.8	-75.2	-170.2	-76.2	149.3	-8.2	112.8	Q100 S101 L102 L103 S109	Q100-R105 HydrophobicContact CB-CG 3.9Å; Q100-R105 PolarHBondContact O-NE 3.37Å; S101-R105 PolarHBondContact O-N 2.73Å; L102-R105 PolarHBondContact O-N 2.79Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 3.03Å; R105-S109 WeakPolarHBondContact O-CB 3.34Å; R105-S109 PolarHBondContact O-N 3.27Å; R105-S109 VanDerWaalsContact O-N 3.16Å
106	L	86.8	Confident	76.4	Confident	49 Å²	49	82.9 Å²	82.9	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-63.1	-52.5	172.7	174.7	64.6	0	0	0	110	L102 L103 L104 E108 S109 F112 Y120	L102-L106 PolarHBondContact O-N 2.9Å; L103-L106 WeakPolarHBondContact O-CB 3.4Å; L103-L106 PolarHBondContact O-N 3.23Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-L106 PolarHBondContact O-N 3.45Å; L106-E108 PolarHBondContact O-N 3.41Å; L106-S109 VanDerWaalsContact O-CB 3.23Å; L106-S109 WeakPolarHBondContact O-CB 3.49Å; L106-S109 PolarHBondContact O-N 3.16Å; L106-S109 PolarHBondContact O-OG 3.03Å; L106-F112 HydrophobicContact CG-CD2 4.49Å; L106-F112 WeakPolarHBondContact O-CB 3.41Å; L106-Y120 HydrophobicContact CD2-CE2 3.75Å; L106-Y120 VanDerWaalsContact CD2-OH 3.31Å; L106-Y120 WeakPolarHBondContact CD2-OH 3.29Å
107	F	86.7	Confident	79.1	Confident	6 Å²	6	78 Å²	78	3%	0.026	40%	0.402	C	S	.	.	H	α-helix	trans	-63	-27.9	-177.9	-69.1	-9.2	0	0	0	114.2	L103 L104 F112 Y120 V129 Y132 L133	L103-F107 HydrophobicContact CD1-CD1 4.26Å; L103-F107 HydrophobicContact CD1-CE1 3.58Å; L103-F107 HydrophobicContact CD1-CE2 4.08Å; L103-F107 HydrophobicContact CD1-CZ 3.48Å; L103-F107 VanDerWaalsContact CD1-CZ 3.48Å; L103-F107 HydrophobicContact CD2-CE2 4.07Å; L103-F107 HydrophobicContact CD2-CZ 4.07Å; L103-F107 HydrophobicContact CG-CD2 4.27Å; L103-F107 HydrophobicContact CG-CE1 4.16Å; L103-F107 HydrophobicContact CG-CE2 3.75Å; L103-F107 HydrophobicContact CG-CZ 3.7Å; L103-F107 WeakPolarHBondContact O-CG 3.35Å; L103-F107 PolarHBondContact O-N 3.01Å; L104-F107 PolarHBondContact O-N 2.84Å; F107-F112 AromaticContact CD1-CD2 3.69Å; F107-F112 HydrophobicContact CD1-CD2 3.69Å; F107-F112 HydrophobicContact CD1-CE1 4.42Å; F107-F112 AromaticContact CD1-CE2 3.39Å; F107-F112 HydrophobicContact CD1-CE2 3.39Å; F107-F112 HydrophobicContact CD1-CG 4.33Å; F107-F112 AromaticContact CD1-CZ 3.81Å; F107-F112 HydrophobicContact CD1-CZ 3.81Å; F107-F112 HydrophobicContact CE1-CD2 4.28Å; F107-F112 AromaticContact CE1-CE2 3.65Å; F107-F112 HydrophobicContact CE1-CE2 3.65Å; F107-F112 HydrophobicContact CE1-CZ 4.15Å; F107-F112 HydrophobicContact CG-CE2 4.39Å; F107-F112 HydrophobicContact CG-CZ 4.44Å; F107-F112 WeakPolarHBondContact O-CD1 3.28Å; F107-Y120 HydrophobicContact CE1-CD1 4.18Å; F107-Y120 HydrophobicContact CE1-CD2 4.03Å; F107-Y120 HydrophobicContact CE1-CE1 4.38Å; F107-Y120 HydrophobicContact CE1-CE2 4.24Å; F107-Y120 AromaticContact CE1-CG 3.99Å; F107-Y120 HydrophobicContact CE1-CG 3.99Å; F107-Y120 HydrophobicContact CZ-CD1 4.11Å; F107-Y120 HydrophobicContact CZ-CG 4.2Å; F107-V129 HydrophobicContact CE2-CG1 3.98Å; F107-V129 HydrophobicContact CZ-CG1 3.81Å; F107-Y132 HydrophobicContact CB-CD1 4.39Å; F107-Y132 HydrophobicContact CB-CE1 3.57Å; F107-Y132 AromaticContact CD2-CD1 3.4Å; F107-Y132 HydrophobicContact CD2-CD1 3.4Å; F107-Y132 VanDerWaalsContact CD2-CD1 3.4Å; F107-Y132 AromaticContact CD2-CE1 3.46Å; F107-Y132 HydrophobicContact CD2-CE1 3.46Å; F107-Y132 VanDerWaalsContact CD2-CE1 3.46Å; F107-Y132 HydrophobicContact CD2-CG 4.34Å; F107-Y132 AromaticContact CE2-CD1 3.95Å; F107-Y132 HydrophobicContact CE2-CD1 3.95Å; F107-Y132 HydrophobicContact CE2-CE1 4.43Å; F107-Y132 HydrophobicContact CG-CD1 4.2Å; F107-Y132 AromaticContact CG-CE1 3.86Å; F107-Y132 HydrophobicContact CG-CE1 3.86Å; F107-L133 HydrophobicContact CE1-CD2 4.47Å; F107-L133 HydrophobicContact CZ-CD2 4.3Å
108	E	83.5	Confident	81.7	Confident	66 Å²	66	73.7 Å²	73.7	31%	0.308	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.7	174.7	-67.9	176.5	178.5	0	0	112.9	Q100 L104 L106	Q100-E108 PolarHBondContact NE2-OE2 3.39Å; L104-E108 HydrophobicContact CD1-CG 4.33Å; L104-E108 HydrophobicContact CG-CG 4.38Å; L104-E108 WeakPolarHBondContact CG-OE1 3.02Å; L104-E108 WeakPolarHBondContact O-CB 3.48Å; L104-E108 WeakPolarHBondContact O-CG 3.29Å; L104-E108 PolarHBondContact O-N 2.95Å; L106-E108 PolarHBondContact O-N 3.41Å
109	S	86.4	Confident	84	Confident	34 Å²	34	70.9 Å²	70.9	24%	0.238	34%	0.335	C	S	.	.	S	Bend	trans	-80.2	155.8	-178.6	80.5	0	0	0	0	112.6	R105 L106 V111 F112	R105-S109 WeakPolarHBondContact O-CB 3.34Å; R105-S109 PolarHBondContact O-N 3.27Å; R105-S109 VanDerWaalsContact O-N 3.16Å; L106-S109 VanDerWaalsContact O-CB 3.23Å; L106-S109 WeakPolarHBondContact O-CB 3.49Å; L106-S109 PolarHBondContact O-N 3.16Å; L106-S109 PolarHBondContact O-OG 3.03Å; S109-V111 PolarHBondContact O-N 2.86Å; S109-V111 PolarHBondContact OG-N 3.23Å; S109-F112 PolarHBondContact O-N 3.22Å; S109-F112 PolarHBondContact OG-N 3.07Å
110	K	84.2	Confident	86.1	Confident	218 Å²	218	62.1 Å²	62.1	95%	0.948	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.4	172.2	-62.3	-176	179.2	-178.6	0	114.3
111	V	84.2	Confident	87.6	Confident	100 Å²	100	57.8 Å²	57.8	61%	0.606	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-20.3	178.3	-175.2	0	0	0	0	110.5	S109 D113 I116	S109-V111 PolarHBondContact O-N 2.86Å; S109-V111 PolarHBondContact OG-N 3.23Å; V111-D113 PolarHBondContact O-N 3.38Å; V111-I116 HydrophobicContact CG1-CD1 4.25Å; V111-I116 VanDerWaalsContact O-CD1 3.28Å; V111-I116 WeakPolarHBondContact O-CD1 3.41Å
112	F	87.4	Confident	88.2	Confident	16 Å²	16	56.5 Å²	56.5	7%	0.07	27%	0.268	C	S	.	.			trans	-78.8	105.6	179.9	-175.7	-100.8	0	0	0	111	L106 F107 S109 I116 A117 L133 L136 F155	L106-F112 HydrophobicContact CG-CD2 4.49Å; L106-F112 WeakPolarHBondContact O-CB 3.41Å; F107-F112 AromaticContact CD1-CD2 3.69Å; F107-F112 HydrophobicContact CD1-CD2 3.69Å; F107-F112 HydrophobicContact CD1-CE1 4.42Å; F107-F112 AromaticContact CD1-CE2 3.39Å; F107-F112 HydrophobicContact CD1-CE2 3.39Å; F107-F112 HydrophobicContact CD1-CG 4.33Å; F107-F112 AromaticContact CD1-CZ 3.81Å; F107-F112 HydrophobicContact CD1-CZ 3.81Å; F107-F112 HydrophobicContact CE1-CD2 4.28Å; F107-F112 AromaticContact CE1-CE2 3.65Å; F107-F112 HydrophobicContact CE1-CE2 3.65Å; F107-F112 HydrophobicContact CE1-CZ 4.15Å; F107-F112 HydrophobicContact CG-CE2 4.39Å; F107-F112 HydrophobicContact CG-CZ 4.44Å; F107-F112 WeakPolarHBondContact O-CD1 3.28Å; S109-F112 PolarHBondContact O-N 3.22Å; S109-F112 PolarHBondContact OG-N 3.07Å; F112-I116 HydrophobicContact CD2-CB 3.93Å; F112-I116 HydrophobicContact CD2-CG2 3.6Å; F112-I116 HydrophobicContact CE2-CB 4.16Å; F112-I116 HydrophobicContact CE2-CG2 3.76Å; F112-A117 HydrophobicContact CE1-CB 4.1Å; F112-A117 HydrophobicContact CE2-CB 4.16Å; F112-A117 HydrophobicContact CZ-CB 3.54Å; F112-L133 HydrophobicContact CE1-CD2 4.39Å; F112-L133 HydrophobicContact CE2-CD2 4.33Å; F112-L133 HydrophobicContact CZ-CD2 3.52Å; F112-L136 HydrophobicContact CD1-CD1 4.4Å; F112-L136 HydrophobicContact CE1-CD1 3.47Å; F112-L136 VanDerWaalsContact CE1-CD1 3.47Å; F112-L136 HydrophobicContact CZ-CD1 4.1Å; F112-F155 HydrophobicContact CD1-CE1 4.36Å; F112-F155 HydrophobicContact CD1-CZ 4.08Å; F112-F155 HydrophobicContact CE1-CE1 4.26Å; F112-F155 HydrophobicContact CE1-CE2 4.5Å; F112-F155 AromaticContact CE1-CZ 3.54Å; F112-F155 HydrophobicContact CE1-CZ 3.54Å; F112-F155 HydrophobicContact CZ-CZ 4.21Å
113	D	87.1	Confident	88.4	Confident	36 Å²	36	53.6 Å²	53.6	19%	0.193	26%	0.259	C	S	.	.			trans	-120.1	-178.9	178.6	59.1	43.6	0	0	0	110.9	V111 R115 I116 A117	V111-D113 PolarHBondContact O-N 3.38Å; D113-R115 VanDerWaalsContact CG-NE 3.26Å; D113-R115 PolarHBondContact O-N 3.12Å; D113-R115 VanDerWaalsContact O-N 3.13Å; D113-R115 WeakPolarHBondContact OD1-CA 3Å; D113-R115 WeakPolarHBondContact OD1-CB 3.38Å; D113-R115 VanDerWaalsContact OD1-CG 3.3Å; D113-R115 WeakPolarHBondContact OD1-CG 3.28Å; D113-R115 PolarHBondContact OD1-N 3.19Å; D113-R115 IonicContact OD1-NE 3.18Å; D113-R115 PolarHBondContact OD1-NE 3.41Å; D113-R115 IonicContact OD2-CZ 2.93Å; D113-R115 IonicContact OD2-NE 3.65Å; D113-R115 PolarHBondContact OD2-NE 3.4Å; D113-R115 IonicContact OD2-NH2 3.41Å; D113-R115 PolarHBondContact OD2-NH2 3.47Å; D113-I116 PolarHBondContact O-N 2.82Å; D113-I116 VanDerWaalsContact O-N 3.14Å; D113-I116 PolarHBondContact OD1-N 3.19Å; D113-I116 VanDerWaalsContact OD1-N 3.13Å; D113-A117 WeakPolarHBondContact O-CB 3.39Å; D113-A117 PolarHBondContact O-N 3.11Å
114	M	89.7	Confident	88.6	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.02	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-24.5	-177.9	-172.8	55.3	-151.3	0	0	113.1	A117 I118 F137 F155 D159 V160 Y163 L167	M114-A117 HydrophobicContact SD-CB 4.32Å; M114-I118 HydrophobicContact CE-CB 3.93Å; M114-I118 HydrophobicContact CE-CD1 3.88Å; M114-I118 HydrophobicContact CE-CG1 4.39Å; M114-I118 WeakPolarHBondContact O-CB 3.4Å; M114-I118 WeakPolarHBondContact O-CG2 3.34Å; M114-I118 PolarHBondContact O-N 2.95Å; M114-F137 HydrophobicContact CE-CE1 3.42Å; M114-F137 VanDerWaalsContact CE-CE1 3.42Å; M114-F137 HydrophobicContact CE-CZ 3.84Å; M114-F137 HydrophobicContact SD-CD1 4.39Å; M114-F137 HydrophobicContact SD-CE1 3.65Å; M114-F137 HydrophobicContact SD-CZ 4.24Å; M114-F155 HydrophobicContact CB-CD1 4.06Å; M114-F155 HydrophobicContact CB-CE1 4.44Å; M114-F155 HydrophobicContact CB-CG 4.15Å; M114-F155 VanDerWaalsContact N-CE1 3.32Å; M114-F155 HydrophobicContact SD-CD2 3.76Å; M114-F155 HydrophobicContact SD-CE2 4.02Å; M114-F155 HydrophobicContact SD-CG 4.22Å; M114-D159 HydrophobicContact CB-CB 4.19Å; M114-V160 HydrophobicContact CG-CG2 4.49Å; M114-V160 HydrophobicContact SD-CG2 4.15Å; M114-Y163 HydrophobicContact CB-CD2 4.37Å; M114-Y163 HydrophobicContact CB-CE2 4.32Å; M114-Y163 HydrophobicContact CE-CD2 4.16Å; M114-Y163 HydrophobicContact CE-CG 4.21Å; M114-Y163 HydrophobicContact CG-CD2 3.48Å; M114-Y163 VanDerWaalsContact CG-CD2 3.48Å; M114-Y163 HydrophobicContact CG-CE2 3.89Å; M114-Y163 HydrophobicContact CG-CG 4.41Å; M114-L167 HydrophobicContact CE-CD2 4.35Å
115	R	89.8	Confident	88.8	Confident	81 Å²	81	56.2 Å²	56.2	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-71.3	-40.6	178.9	-41.5	173.6	-76.5	-166.5	2.8	110.6	D113 I118 Y163 E563 R742	D113-R115 VanDerWaalsContact CG-NE 3.26Å; D113-R115 PolarHBondContact O-N 3.12Å; D113-R115 VanDerWaalsContact O-N 3.13Å; D113-R115 WeakPolarHBondContact OD1-CA 3Å; D113-R115 WeakPolarHBondContact OD1-CB 3.38Å; D113-R115 VanDerWaalsContact OD1-CG 3.3Å; D113-R115 WeakPolarHBondContact OD1-CG 3.28Å; D113-R115 PolarHBondContact OD1-N 3.19Å; D113-R115 IonicContact OD1-NE 3.18Å; D113-R115 PolarHBondContact OD1-NE 3.41Å; D113-R115 IonicContact OD2-CZ 2.93Å; D113-R115 IonicContact OD2-NE 3.65Å; D113-R115 PolarHBondContact OD2-NE 3.4Å; D113-R115 IonicContact OD2-NH2 3.41Å; D113-R115 PolarHBondContact OD2-NH2 3.47Å; R115-I118 WeakPolarHBondContact O-CG2 3.44Å; R115-Y163 HydrophobicContact CG-CE2 4.46Å; R115-Y163 WeakPolarHBondContact CG-OH 3.49Å; R115-E563 IonicContact CZ-OE1 2.86Å; R115-E563 IonicContact NH1-OE1 3.2Å; R115-E563 PolarHBondContact NH1-OE1 2.81Å; R115-R742 VanDerWaalsContact CD-CZ 3.49Å
116	I	90.4	Very high	89	Confident	36 Å²	36	56 Å²	56	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-74.9	-41	174	-57.2	-175.9	0	0	0	109.9	V111 F112 D113 I118 Q119 Y120	V111-I116 HydrophobicContact CG1-CD1 4.25Å; V111-I116 VanDerWaalsContact O-CD1 3.28Å; V111-I116 WeakPolarHBondContact O-CD1 3.41Å; F112-I116 HydrophobicContact CD2-CB 3.93Å; F112-I116 HydrophobicContact CD2-CG2 3.6Å; F112-I116 HydrophobicContact CE2-CB 4.16Å; F112-I116 HydrophobicContact CE2-CG2 3.76Å; D113-I116 PolarHBondContact O-N 2.82Å; D113-I116 VanDerWaalsContact O-N 3.14Å; D113-I116 PolarHBondContact OD1-N 3.19Å; D113-I116 VanDerWaalsContact OD1-N 3.13Å; I116-I118 PolarHBondContact O-N 3.03Å; I116-Q119 WeakPolarHBondContact O-CB 3.46Å; I116-Q119 PolarHBondContact O-N 2.63Å; I116-Y120 HydrophobicContact CG2-CD2 3.61Å; I116-Y120 HydrophobicContact CG2-CE2 3.56Å; I116-Y120 WeakPolarHBondContact O-CD2 3.37Å; I116-Y120 PolarHBondContact O-N 3.15Å
117	A	91.9	Very high	89	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-45.2	-179.2	0	0	0	0	0	112.9	F112 D113 M114 Q119 Y120 L121 L133 F155	F112-A117 HydrophobicContact CE1-CB 4.1Å; F112-A117 HydrophobicContact CE2-CB 4.16Å; F112-A117 HydrophobicContact CZ-CB 3.54Å; D113-A117 WeakPolarHBondContact O-CB 3.39Å; D113-A117 PolarHBondContact O-N 3.11Å; M114-A117 HydrophobicContact SD-CB 4.32Å; A117-Q119 VanDerWaalsContact C-N 3.28Å; A117-Q119 PolarHBondContact O-N 3.24Å; A117-Y120 PolarHBondContact O-N 3.41Å; A117-L121 VanDerWaalsContact O-CB 3.31Å; A117-L121 WeakPolarHBondContact O-CB 3.13Å; A117-L121 PolarHBondContact O-N 2.86Å; A117-L133 HydrophobicContact CB-CD2 4.34Å; A117-F155 HydrophobicContact CB-CE1 4.41Å; A117-F155 HydrophobicContact CB-CE2 3.61Å; A117-F155 HydrophobicContact CB-CZ 3.4Å; A117-F155 VanDerWaalsContact CB-CZ 3.4Å
118	I	91.6	Very high	89	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-34.6	177.9	-163.1	72.5	0	0	0	111.8	M114 R115 I116 L121 F122 Y163 Q166 L167 L170 T745 I749	M114-I118 HydrophobicContact CE-CB 3.93Å; M114-I118 HydrophobicContact CE-CD1 3.88Å; M114-I118 HydrophobicContact CE-CG1 4.39Å; M114-I118 WeakPolarHBondContact O-CB 3.4Å; M114-I118 WeakPolarHBondContact O-CG2 3.34Å; M114-I118 PolarHBondContact O-N 2.95Å; R115-I118 WeakPolarHBondContact O-CG2 3.44Å; I116-I118 PolarHBondContact O-N 3.03Å; I118-L121 HydrophobicContact CD1-CD2 4.21Å; I118-L121 PolarHBondContact O-N 3.37Å; I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 2.84Å; I118-Y163 HydrophobicContact CB-CD1 4.45Å; I118-Y163 HydrophobicContact CG1-CD1 4.24Å; I118-Y163 HydrophobicContact CG2-CD1 4.08Å; I118-Y163 HydrophobicContact CG2-CE1 3.86Å; I118-Q166 HydrophobicContact CD1-CB 4.33Å; I118-Q166 HydrophobicContact CG1-CB 4.46Å; I118-L167 HydrophobicContact CD1-CD2 3.56Å; I118-L167 HydrophobicContact CD1-CG 4.21Å; I118-L170 HydrophobicContact CD1-CD1 4.12Å; I118-T745 HydrophobicContact CG2-CG2 4.1Å; I118-I749 HydrophobicContact CD1-CD1 4.35Å; I118-I749 HydrophobicContact CG1-CD1 3.57Å
119	Q	92.2	Very high	89.2	Confident	65 Å²	65	58 Å²	58	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-65.4	-47.5	175.5	-173	-176.4	6.2	0	0	111.3	I116 A117 L121 F122 S123 T745	I116-Q119 WeakPolarHBondContact O-CB 3.46Å; I116-Q119 PolarHBondContact O-N 2.63Å; A117-Q119 VanDerWaalsContact C-N 3.28Å; A117-Q119 PolarHBondContact O-N 3.24Å; Q119-L121 VanDerWaalsContact C-N 3.35Å; Q119-F122 PolarHBondContact O-N 2.91Å; Q119-S123 VanDerWaalsContact O-CB 3.32Å; Q119-S123 WeakPolarHBondContact O-CB 3.36Å; Q119-S123 PolarHBondContact O-N 2.72Å; Q119-S123 PolarHBondContact O-OG 2.97Å; Q119-T745 HydrophobicContact CB-CG2 4.05Å; Q119-T745 HydrophobicContact CG-CG2 4.42Å
120	Y	92	Very high	89.3	Confident	69 Å²	69	56.6 Å²	56.6	27%	0.271	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-35.3	175.6	-83.8	-85.5	0	0	0	112.3	L103 L106 F107 I116 A117 F122 S124	L103-Y120 HydrophobicContact CD1-CD1 4.25Å; L103-Y120 HydrophobicContact CD1-CE1 3.53Å; L106-Y120 HydrophobicContact CD2-CE2 3.75Å; L106-Y120 VanDerWaalsContact CD2-OH 3.31Å; L106-Y120 WeakPolarHBondContact CD2-OH 3.29Å; F107-Y120 HydrophobicContact CE1-CD1 4.18Å; F107-Y120 HydrophobicContact CE1-CD2 4.03Å; F107-Y120 HydrophobicContact CE1-CE1 4.38Å; F107-Y120 HydrophobicContact CE1-CE2 4.24Å; F107-Y120 AromaticContact CE1-CG 3.99Å; F107-Y120 HydrophobicContact CE1-CG 3.99Å; F107-Y120 HydrophobicContact CZ-CD1 4.11Å; F107-Y120 HydrophobicContact CZ-CG 4.2Å; I116-Y120 HydrophobicContact CG2-CD2 3.61Å; I116-Y120 HydrophobicContact CG2-CE2 3.56Å; I116-Y120 WeakPolarHBondContact O-CD2 3.37Å; I116-Y120 PolarHBondContact O-N 3.15Å; A117-Y120 PolarHBondContact O-N 3.41Å; Y120-F122 VanDerWaalsContact C-N 3.27Å; Y120-F122 PolarHBondContact O-N 3.01Å; Y120-S124 WeakPolarHBondContact O-CB 3.38Å; Y120-S124 PolarHBondContact O-N 3.28Å
121	L	91.6	Very high	89.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-39.4	176.4	-172.9	70.9	0	0	0	111.2	A117 I118 Q119 L130 L133 F137 L167 L170 I177 V180 L181	A117-L121 VanDerWaalsContact O-CB 3.31Å; A117-L121 WeakPolarHBondContact O-CB 3.13Å; A117-L121 PolarHBondContact O-N 2.86Å; I118-L121 HydrophobicContact CD1-CD2 4.21Å; I118-L121 PolarHBondContact O-N 3.37Å; Q119-L121 VanDerWaalsContact C-N 3.35Å; L121-L130 HydrophobicContact CD1-CD2 4.13Å; L121-L130 WeakPolarHBondContact O-CD2 3.47Å; L121-L133 HydrophobicContact CB-CD1 4.1Å; L121-L133 HydrophobicContact CD1-CB 4.32Å; L121-L133 HydrophobicContact CD1-CD1 4.31Å; L121-F137 HydrophobicContact CD2-CE2 4.1Å; L121-F137 HydrophobicContact CD2-CZ 3.93Å; L121-L167 HydrophobicContact CD2-CD2 3.99Å; L121-L170 HydrophobicContact CD2-CD1 4Å; L121-L170 HydrophobicContact CG-CD1 4.43Å; L121-I177 HydrophobicContact CD1-CG2 4.03Å; L121-I177 HydrophobicContact CD2-CG2 3.98Å; L121-I177 HydrophobicContact CG-CG2 3.88Å; L121-I177 WeakPolarHBondContact O-CD1 3.37Å; L121-V180 HydrophobicContact CD1-CG1 4.49Å; L121-L181 HydrophobicContact CD2-CD1 4.18Å; L121-L181 HydrophobicContact CD2-CD2 3.93Å; L121-L181 HydrophobicContact CD2-CG 4.28Å
122	F	91.9	Very high	89.2	Confident	41 Å²	41	46.8 Å²	46.8	18%	0.18	25%	0.25	C	S	.	.	H	α-helix	trans	-78.5	-42.6	178.8	177.8	-120.8	0	0	0	113.4	I118 Q119 Y120 L170 E748 I749	I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 2.84Å; Q119-F122 PolarHBondContact O-N 2.91Å; Y120-F122 VanDerWaalsContact C-N 3.27Å; Y120-F122 PolarHBondContact O-N 3.01Å; F122-L170 HydrophobicContact CD2-CD2 3.59Å; F122-L170 HydrophobicContact CE2-CD2 4.25Å; F122-E748 HydrophobicContact CE1-CB 3.76Å; F122-E748 HydrophobicContact CZ-CB 4.18Å; F122-I749 HydrophobicContact CB-CD1 3.98Å; F122-I749 HydrophobicContact CB-CG1 3.84Å; F122-I749 HydrophobicContact CD1-CG1 3.89Å; F122-I749 HydrophobicContact CD2-CG1 3.77Å; F122-I749 HydrophobicContact CE1-CG1 4.37Å; F122-I749 HydrophobicContact CE2-CG1 4.24Å; F122-I749 HydrophobicContact CG-CD1 4.24Å; F122-I749 HydrophobicContact CG-CG1 3.55Å
123	S	91	Very high	89	Confident	71 Å²	71	46.1 Å²	46.1	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-86.4	-30.1	-171.9	59.5	0	0	0	0	114.4	Q119	Q119-S123 VanDerWaalsContact O-CB 3.32Å; Q119-S123 WeakPolarHBondContact O-CB 3.36Å; Q119-S123 PolarHBondContact O-N 2.72Å; Q119-S123 PolarHBondContact O-OG 2.97Å
124	S	91	Very high	88.5	Confident	19 Å²	19	45 Å²	45	13%	0.133	24%	0.244	C	C	.	.			trans	-73.6	141	-177.1	-173.1	0	0	0	0	111.9	Y120 E126	Y120-S124 WeakPolarHBondContact O-CB 3.38Å; Y120-S124 PolarHBondContact O-N 3.28Å; S124-E126 PolarHBondContact OG-N 3.1Å
125	K	88.5	Confident	87.7	Confident	135 Å²	135	47.7 Å²	47.7	59%	0.587	26%	0.258	S	S	*	.			trans	-109.8	1	169.2	-58.5	-58.1	178.8	-165.7	0	112.6	P127	K125-P127 WeakPolarHBondContact O-CD 3.32Å
126	E	90.6	Very high	86.9	Confident	127 Å²	127	44 Å²	44	59%	0.593	25%	0.245	S	C	*	.			trans	-83.1	117.3	-178.7	-66.4	-160.5	171.7	0	0	111	S124 G128 V129 L130	S124-E126 PolarHBondContact OG-N 3.1Å; E126-G128 PolarHBondContact O-N 3.06Å; E126-G128 VanDerWaalsContact O-N 3.15Å; E126-V129 HydrophobicContact CB-CB 4.11Å; E126-V129 HydrophobicContact CB-CG2 3.84Å; E126-V129 PolarHBondContact O-N 2.6Å; E126-L130 PolarHBondContact O-N 2.95Å
127	P	87.5	Confident	85.8	Confident	98 Å²	98	42.5 Å²	42.5	64%	0.636	24%	0.237	S	C	*	.	H	α-helix	trans	-58.6	-32.6	-177.4	-26.5	35.5	0	0	0	113.7	K125 T131	K125-P127 WeakPolarHBondContact O-CD 3.32Å; P127-T131 VanDerWaalsContact O-CB 3.26Å; P127-T131 WeakPolarHBondContact O-CB 3.25Å; P127-T131 PolarHBondContact O-N 2.85Å; P127-T131 PolarHBondContact O-OG1 3.21Å
128	G	86.3	Confident	84.1	Confident	56 Å²	56	43 Å²	43	58%	0.577	24%	0.24	S	C	*	.	H	α-helix	trans	-66.1	-41.2	176.2	0	0	0	0	0	112.6	E126 Y132	E126-G128 PolarHBondContact O-N 3.06Å; E126-G128 VanDerWaalsContact O-N 3.15Å; G128-Y132 VanDerWaalsContact O-CB 3.29Å; G128-Y132 WeakPolarHBondContact O-CB 3.49Å; G128-Y132 PolarHBondContact O-N 3.28Å
129	V	88.3	Confident	82.2	Confident	10 Å²	10	45.6 Å²	45.6	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-48.1	174.8	174.1	0	0	0	0	110.2	L103 F107 E126 T131 Y132 L133	L103-V129 HydrophobicContact CD2-CG2 3.65Å; F107-V129 HydrophobicContact CE2-CG1 3.98Å; F107-V129 HydrophobicContact CZ-CG1 3.81Å; E126-V129 HydrophobicContact CB-CB 4.11Å; E126-V129 HydrophobicContact CB-CG2 3.84Å; E126-V129 PolarHBondContact O-N 2.6Å; V129-T131 PolarHBondContact O-N 3.27Å; V129-Y132 PolarHBondContact O-N 2.93Å; V129-L133 HydrophobicContact CG1-CD1 3.98Å; V129-L133 HydrophobicContact CG1-CG 4.36Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.39Å; V129-L133 PolarHBondContact O-N 3.23Å
130	L	88	Confident	80	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-46.5	179.6	-61	177.9	0	0	0	110.9	L121 E126 Y132 L133 G134 V180	L121-L130 HydrophobicContact CD1-CD2 4.13Å; L121-L130 WeakPolarHBondContact O-CD2 3.47Å; E126-L130 PolarHBondContact O-N 2.95Å; L130-Y132 VanDerWaalsContact C-N 3.33Å; L130-Y132 PolarHBondContact O-N 2.91Å; L130-L133 PolarHBondContact O-N 3.23Å; L130-G134 PolarHBondContact O-N 3.35Å; L130-V180 HydrophobicContact CB-CG2 3.96Å; L130-V180 WeakPolarHBondContact O-CG1 3.49Å
131	T	84.5	Confident	77.4	Confident	77 Å²	77	45.3 Å²	45.3	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-43.1	176.9	-59	0	0	0	0	111.7	P127 V129 G134 I135	P127-T131 VanDerWaalsContact O-CB 3.26Å; P127-T131 WeakPolarHBondContact O-CB 3.25Å; P127-T131 PolarHBondContact O-N 2.85Å; P127-T131 PolarHBondContact O-OG1 3.21Å; V129-T131 PolarHBondContact O-N 3.27Å; T131-G134 PolarHBondContact O-N 2.94Å; T131-I135 HydrophobicContact CG2-CD1 4.29Å; T131-I135 WeakPolarHBondContact O-CG1 3.31Å; T131-I135 PolarHBondContact O-N 3.39Å; T131-I135 VanDerWaalsContact O-N 3.16Å
132	Y	82.7	Confident	75.1	Confident	34 Å²	34	48.2 Å²	48.2	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-46.3	175.9	-176.1	-87.8	0	0	0	111.7	L104 F107 G128 V129 L130 G134 I135 L136 F150	L104-Y132 HydrophobicContact CD1-CE2 3.86Å; F107-Y132 HydrophobicContact CB-CD1 4.39Å; F107-Y132 HydrophobicContact CB-CE1 3.57Å; F107-Y132 AromaticContact CD2-CD1 3.4Å; F107-Y132 HydrophobicContact CD2-CD1 3.4Å; F107-Y132 VanDerWaalsContact CD2-CD1 3.4Å; F107-Y132 AromaticContact CD2-CE1 3.46Å; F107-Y132 HydrophobicContact CD2-CE1 3.46Å; F107-Y132 VanDerWaalsContact CD2-CE1 3.46Å; F107-Y132 HydrophobicContact CD2-CG 4.34Å; F107-Y132 AromaticContact CE2-CD1 3.95Å; F107-Y132 HydrophobicContact CE2-CD1 3.95Å; F107-Y132 HydrophobicContact CE2-CE1 4.43Å; F107-Y132 HydrophobicContact CG-CD1 4.2Å; F107-Y132 AromaticContact CG-CE1 3.86Å; F107-Y132 HydrophobicContact CG-CE1 3.86Å; G128-Y132 VanDerWaalsContact O-CB 3.29Å; G128-Y132 WeakPolarHBondContact O-CB 3.49Å; G128-Y132 PolarHBondContact O-N 3.28Å; V129-Y132 PolarHBondContact O-N 2.93Å; L130-Y132 VanDerWaalsContact C-N 3.33Å; L130-Y132 PolarHBondContact O-N 2.91Å; Y132-G134 VanDerWaalsContact C-N 3.32Å; Y132-G134 PolarHBondContact O-N 2.93Å; Y132-I135 WeakPolarHBondContact O-CB 3.42Å; Y132-I135 PolarHBondContact O-N 3.17Å; Y132-I135 VanDerWaalsContact O-N 3.15Å; Y132-L136 HydrophobicContact CD1-CD1 3.69Å; Y132-L136 HydrophobicContact CD1-CG 4.25Å; Y132-L136 HydrophobicContact CE1-CD1 3.32Å; Y132-L136 HydrophobicContact CE1-CD2 4.11Å; Y132-L136 HydrophobicContact CE1-CG 3.89Å; Y132-L136 WeakPolarHBondContact O-CG 3.18Å; Y132-L136 PolarHBondContact O-N 3.47Å; Y132-F150 HydrophobicContact CE2-CD1 4.36Å; Y132-F150 AromaticContact CE2-CE1 3.68Å; Y132-F150 HydrophobicContact CE2-CE1 3.68Å; Y132-F150 HydrophobicContact CE2-CZ 4.31Å
133	L	83.3	Confident	72.6	Confident	2 Å²	2	53 Å²	53	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-41.2	175.1	-66.6	171.6	0	0	0	111.9	F107 F112 A117 L121 V129 L130 I135 L136 F137	F107-L133 HydrophobicContact CE1-CD2 4.47Å; F107-L133 HydrophobicContact CZ-CD2 4.3Å; F112-L133 HydrophobicContact CE1-CD2 4.39Å; F112-L133 HydrophobicContact CE2-CD2 4.33Å; F112-L133 HydrophobicContact CZ-CD2 3.52Å; A117-L133 HydrophobicContact CB-CD2 4.34Å; L121-L133 HydrophobicContact CB-CD1 4.1Å; L121-L133 HydrophobicContact CD1-CB 4.32Å; L121-L133 HydrophobicContact CD1-CD1 4.31Å; V129-L133 HydrophobicContact CG1-CD1 3.98Å; V129-L133 HydrophobicContact CG1-CG 4.36Å; V129-L133 VanDerWaalsContact O-CG 3.29Å; V129-L133 WeakPolarHBondContact O-CG 3.39Å; V129-L133 PolarHBondContact O-N 3.23Å; L130-L133 PolarHBondContact O-N 3.23Å; L133-I135 PolarHBondContact O-N 3.37Å; L133-L136 HydrophobicContact CD2-CD1 4.23Å; L133-L136 WeakPolarHBondContact O-CB 3.16Å; L133-L136 PolarHBondContact O-N 3.25Å; L133-F137 WeakPolarHBondContact O-CD2 3.49Å; L133-F137 PolarHBondContact O-N 2.96Å
134	G	76	Confident	70.1	Confident	12 Å²	12	53 Å²	53	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-53.9	-37.5	174	0	0	0	0	0	113.6	L130 T131 Y132 V180	L130-G134 PolarHBondContact O-N 3.35Å; T131-G134 PolarHBondContact O-N 2.94Å; Y132-G134 VanDerWaalsContact C-N 3.32Å; Y132-G134 PolarHBondContact O-N 2.93Å; G134-V180 VanDerWaalsContact CA-CG1 3.45Å
135	I	72.5	Confident	67.7	Low	62 Å²	62	57.3 Å²	57.3	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-74	-29.3	178.6	-64.9	162.9	0	0	0	111.9	T131 Y132 L133 L140 L147	T131-I135 HydrophobicContact CG2-CD1 4.29Å; T131-I135 WeakPolarHBondContact O-CG1 3.31Å; T131-I135 PolarHBondContact O-N 3.39Å; T131-I135 VanDerWaalsContact O-N 3.16Å; Y132-I135 WeakPolarHBondContact O-CB 3.42Å; Y132-I135 PolarHBondContact O-N 3.17Å; Y132-I135 VanDerWaalsContact O-N 3.15Å; L133-I135 PolarHBondContact O-N 3.37Å; I135-L140 HydrophobicContact CG1-CD2 4.47Å; I135-L147 HydrophobicContact CG2-CD2 3.98Å
136	L	73.9	Confident	65.7	Low	3 Å²	3	57.4 Å²	57.4	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-77.6	-21.3	179.9	-63.8	169.1	0	0	0	113.5	F112 Y132 L133 N153 F155	F112-L136 HydrophobicContact CD1-CD1 4.4Å; F112-L136 HydrophobicContact CE1-CD1 3.47Å; F112-L136 VanDerWaalsContact CE1-CD1 3.47Å; F112-L136 HydrophobicContact CZ-CD1 4.1Å; Y132-L136 HydrophobicContact CD1-CD1 3.69Å; Y132-L136 HydrophobicContact CD1-CG 4.25Å; Y132-L136 HydrophobicContact CE1-CD1 3.32Å; Y132-L136 HydrophobicContact CE1-CD2 4.11Å; Y132-L136 HydrophobicContact CE1-CG 3.89Å; Y132-L136 WeakPolarHBondContact O-CG 3.18Å; Y132-L136 PolarHBondContact O-N 3.47Å; L133-L136 HydrophobicContact CD2-CD1 4.23Å; L133-L136 WeakPolarHBondContact O-CB 3.16Å; L133-L136 PolarHBondContact O-N 3.25Å; L136-N153 HydrophobicContact CD2-CB 4.41Å; L136-F155 HydrophobicContact CB-CE2 4.07Å
137	F	67.6	Low	63.5	Low	4 Å²	4	53.3 Å²	53.3	2%	0.018	32%	0.323	C	S	.	.	S	Bend	trans	-61.1	128.1	169.4	-74	-79.9	0	0	0	108.8	M114 L121 L133 H139 V160 L167 L181 Y184	M114-F137 HydrophobicContact CE-CE1 3.42Å; M114-F137 VanDerWaalsContact CE-CE1 3.42Å; M114-F137 HydrophobicContact CE-CZ 3.84Å; M114-F137 HydrophobicContact SD-CD1 4.39Å; M114-F137 HydrophobicContact SD-CE1 3.65Å; M114-F137 HydrophobicContact SD-CZ 4.24Å; L121-F137 HydrophobicContact CD2-CE2 4.1Å; L121-F137 HydrophobicContact CD2-CZ 3.93Å; L133-F137 WeakPolarHBondContact O-CD2 3.49Å; L133-F137 PolarHBondContact O-N 2.96Å; F137-H139 PolarHBondContact O-N 3.4Å; F137-V160 HydrophobicContact CD1-CG1 3.88Å; F137-V160 HydrophobicContact CD1-CG2 4.4Å; F137-V160 HydrophobicContact CE1-CG1 4.07Å; F137-L167 HydrophobicContact CE1-CD1 4.11Å; F137-L167 HydrophobicContact CE1-CD2 3.86Å; F137-L167 HydrophobicContact CZ-CD2 3.85Å; F137-L181 HydrophobicContact CD2-CD2 4.07Å; F137-L181 HydrophobicContact CE2-CD2 3.76Å; F137-L181 HydrophobicContact CZ-CD2 4.05Å; F137-Y184 HydrophobicContact CB-CD2 3.74Å; F137-Y184 HydrophobicContact CB-CE2 4.27Å; F137-Y184 HydrophobicContact CB-CG 4.14Å
138	P	56.4	Low	61.1	Low	12 Å²	12	54.2 Å²	54.2	8%	0.078	32%	0.321	C	S	.	.	S	Bend	trans	-55.4	136.9	-167.4	17.6	-30.2	0	0	0	112.8	F155 V160 Y184	P138-F155 WeakPolarHBondContact CB-O 3.19Å; P138-F155 VanDerWaalsContact CG-O 3.25Å; P138-F155 WeakPolarHBondContact CG-O 3.21Å; P138-V160 HydrophobicContact CG-CG2 3.98Å; P138-Y184 HydrophobicContact CG-CE2 4.22Å
139	H	51	Low	59	Low	55 Å²	55	56.9 Å²	56.9	26%	0.255	33%	0.326	S	S	.	.			trans	101.2	26.5	170.6	-62.2	-73.6	0	0	0	120.4	F137 C141 E157 S194 M195	F137-H139 PolarHBondContact O-N 3.4Å; H139-C141 VanDerWaalsContact C-N 3.32Å; H139-C141 PolarHBondContact O-N 2.63Å; H139-E157 IonicContact CD2-OE1 2.95Å; H139-E157 IonicContact CE1-OE1 3.28Å; H139-E157 IonicContact NE2-OE1 3.91Å; H139-E157 PolarHBondContact NE2-OE1 2.96Å; H139-S194 WeakPolarHBondContact O-CB 3.37Å; H139-S194 PolarHBondContact O-OG 3.2Å; H139-M195 HydrophobicContact CB-CB 3.95Å; H139-M195 WeakPolarHBondContact CB-O 3.35Å; H139-M195 VanDerWaalsContact CG-O 3.32Å; H139-M195 WeakPolarHBondContact ND1-CB 3.37Å
140	L	46.3	Very low	57.1	Low	72 Å²	72	59.5 Å²	59.5	38%	0.377	34%	0.337	S	S	.	.			trans	-82.8	80.2	145.6	-99.9	88.9	0	0	0	109.7	I135 L147	I135-L140 HydrophobicContact CG1-CD2 4.47Å; L140-L147 HydrophobicContact CB-CD2 3.98Å; L140-L147 VanDerWaalsContact O-CD2 3.31Å; L140-L147 WeakPolarHBondContact O-CD2 3.48Å
141	C	37.6	Very low	55.3	Low	57 Å²	57	62.7 Å²	62.7	39%	0.385	36%	0.359	S	S	.	.			trans	-161.9	100.5	164	-140.2	0	0	0	0	111.8	H139	H139-C141 VanDerWaalsContact C-N 3.32Å; H139-C141 PolarHBondContact O-N 2.63Å
142	V	41.6	Very low	53.9	Low	61 Å²	61	68.1 Å²	68.1	37%	0.37	38%	0.376	S	S	.	.	S	Bend	trans	-148.2	125.4	142.9	-153.3	0	0	0	0	106.8	V193	V142-V193 HydrophobicContact CB-CB 3.79Å; V142-V193 HydrophobicContact CB-CG1 3.27Å; V142-V193 HydrophobicContact CG1-CB 4.36Å; V142-V193 HydrophobicContact CG1-CG1 3.43Å; V142-V193 VanDerWaalsContact CG1-CG1 3.43Å; V142-V193 HydrophobicContact CG2-CB 4.3Å; V142-V193 HydrophobicContact CG2-CG1 3.61Å
143	D	40.4	Very low	52.7	Low	140 Å²	140	69 Å²	69	75%	0.749	38%	0.383	S	S	*	.	S	Bend	trans	67.4	29.8	164.4	-53.8	-24.1	0	0	0	120.9
144	C	38.2	Very low	51.9	Low	73 Å²	73	71.1 Å²	71.1	49%	0.493	40%	0.401	S	S	.	.			trans	-119.1	112.8	157.7	-86.4	0	0	0	0	110.5	I146 L147	C144-I146 PolarHBondContact O-N 2.9Å; C144-L147 PolarHBondContact O-N 3.44Å
145	S	41.6	Very low	51.8	Low	109 Å²	109	71.3 Å²	71.3	76%	0.762	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-10.9	172.2	-46.3	0	0	0	0	113.8
146	I	45.3	Very low	52.2	Low	136 Å²	136	70.3 Å²	70.3	70%	0.697	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-22.9	177	-71.8	167.9	0	0	0	113	C144	C144-I146 PolarHBondContact O-N 2.9Å
147	L	43.7	Very low	52.5	Low	42 Å²	42	72.8 Å²	72.8	22%	0.22	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.2	-177.1	-107.9	109.4	0	0	0	115.6	I135 L140 C144 V149 F150 S151	I135-L147 HydrophobicContact CG2-CD2 3.98Å; L140-L147 HydrophobicContact CB-CD2 3.98Å; L140-L147 VanDerWaalsContact O-CD2 3.31Å; L140-L147 WeakPolarHBondContact O-CD2 3.48Å; C144-L147 PolarHBondContact O-N 3.44Å; L147-V149 PolarHBondContact O-N 3.4Å; L147-V149 VanDerWaalsContact O-N 3.07Å; L147-F150 HydrophobicContact CD2-CB 4.5Å; L147-F150 HydrophobicContact CG-CD2 4.3Å; L147-F150 PolarHBondContact O-N 3.48Å; L147-S151 PolarHBondContact O-N 3.48Å
148	I	39.1	Very low	53.3	Low	117 Å²	117	78.9 Å²	78.9	60%	0.6	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.8	171.3	-63.7	176.2	0	0	0	111
149	V	40.9	Very low	54.7	Low	112 Å²	112	81.1 Å²	81.1	68%	0.679	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-34.1	176.5	-174.6	0	0	0	0	112.4	L147	L147-V149 PolarHBondContact O-N 3.4Å; L147-V149 VanDerWaalsContact O-N 3.07Å
150	F	49.5	Very low	56.5	Low	65 Å²	65	78.5 Å²	78.5	29%	0.285	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-18.9	-178.2	-68.6	-73.1	0	0	0	113.8	Y132 L147 K152 N153	Y132-F150 HydrophobicContact CE2-CD1 4.36Å; Y132-F150 AromaticContact CE2-CE1 3.68Å; Y132-F150 HydrophobicContact CE2-CE1 3.68Å; Y132-F150 HydrophobicContact CE2-CZ 4.31Å; L147-F150 HydrophobicContact CD2-CB 4.5Å; L147-F150 HydrophobicContact CG-CD2 4.3Å; L147-F150 PolarHBondContact O-N 3.48Å; F150-K152 PolarHBondContact O-N 3.17Å; F150-N153 PolarHBondContact O-N 3.41Å
151	S	49.6	Very low	58.6	Low	71 Å²	71	77.7 Å²	77.7	50%	0.497	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-58.9	-19.9	-179	-174.7	0	0	0	0	114.5	L147 N153	L147-S151 PolarHBondContact O-N 3.48Å; S151-N153 VanDerWaalsContact C-N 3.29Å
152	K	55.1	Low	61.2	Low	192 Å²	192	77.2 Å²	77.2	84%	0.835	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-75	-17.3	176.9	-72.3	-173.2	178	179.5	0	113.9	F150	F150-K152 PolarHBondContact O-N 3.17Å
153	N	57.6	Low	63.7	Low	51 Å²	51	74.8 Å²	74.8	27%	0.273	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-112.9	8.7	-175	-64.4	-12	0	0	0	112.9	L136 F150 S151	L136-N153 HydrophobicContact CD2-CB 4.41Å; F150-N153 PolarHBondContact O-N 3.41Å; S151-N153 VanDerWaalsContact C-N 3.29Å
154	A	66.3	Low	66.3	Low	48 Å²	48	68.5 Å²	68.5	40%	0.397	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-68.8	138.2	174.8	0	0	0	0	0	110.4
155	F	74.4	Confident	69	Low	16 Å²	16	65.4 Å²	65.4	7%	0.07	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-68.8	148.4	178.2	-56	-57.6	0	0	0	111.7	F112 M114 A117 L136 P138 V160	F112-F155 HydrophobicContact CD1-CE1 4.36Å; F112-F155 HydrophobicContact CD1-CZ 4.08Å; F112-F155 HydrophobicContact CE1-CE1 4.26Å; F112-F155 HydrophobicContact CE1-CE2 4.5Å; F112-F155 AromaticContact CE1-CZ 3.54Å; F112-F155 HydrophobicContact CE1-CZ 3.54Å; F112-F155 HydrophobicContact CZ-CZ 4.21Å; M114-F155 HydrophobicContact CB-CD1 4.06Å; M114-F155 HydrophobicContact CB-CE1 4.44Å; M114-F155 HydrophobicContact CB-CG 4.15Å; M114-F155 VanDerWaalsContact N-CE1 3.32Å; M114-F155 HydrophobicContact SD-CD2 3.76Å; M114-F155 HydrophobicContact SD-CE2 4.02Å; M114-F155 HydrophobicContact SD-CG 4.22Å; A117-F155 HydrophobicContact CB-CE1 4.41Å; A117-F155 HydrophobicContact CB-CE2 3.61Å; A117-F155 HydrophobicContact CB-CZ 3.4Å; A117-F155 VanDerWaalsContact CB-CZ 3.4Å; L136-F155 HydrophobicContact CB-CE2 4.07Å; P138-F155 WeakPolarHBondContact CB-O 3.19Å; P138-F155 VanDerWaalsContact CG-O 3.25Å; P138-F155 WeakPolarHBondContact CG-O 3.21Å; F155-V160 HydrophobicContact CB-CG2 3.6Å; F155-V160 HydrophobicContact CD2-CG2 4.47Å; F155-V160 HydrophobicContact CG-CG2 4.42Å
156	A	79.8	Confident	71.6	Confident	41 Å²	41	60.2 Å²	60.2	34%	0.339	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-64.9	146	170.8	0	0	0	0	0	110	E158 D159 V160	A156-E158 HydrophobicContact CB-CG 3.91Å; A156-E158 PolarHBondContact O-N 3.41Å; A156-D159 PolarHBondContact O-N 3.35Å; A156-D159 VanDerWaalsContact O-N 3.17Å; A156-V160 WeakPolarHBondContact O-CG2 3.31Å; A156-V160 PolarHBondContact O-N 3.09Å
157	E	80.9	Confident	74	Confident	54 Å²	54	53.8 Å²	53.8	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-57.7	-36.9	-178.9	-74.6	-170.5	-156.6	0	0	112.1	H139 V160 D161 R197 K200	H139-E157 IonicContact CD2-OE1 2.95Å; H139-E157 IonicContact CE1-OE1 3.28Å; H139-E157 IonicContact NE2-OE1 3.91Å; H139-E157 PolarHBondContact NE2-OE1 2.96Å; E157-V160 PolarHBondContact O-N 3.43Å; E157-D161 WeakPolarHBondContact O-CB 3.48Å; E157-D161 PolarHBondContact O-N 3.36Å; E157-R197 IonicContact OE2-CZ 3.02Å; E157-R197 VanDerWaalsContact OE2-CZ 3.29Å; E157-R197 IonicContact OE2-NE 3.64Å; E157-R197 PolarHBondContact OE2-NE 2.83Å; E157-R197 IonicContact OE2-NH2 3.77Å; E157-R197 PolarHBondContact OE2-NH2 2.79Å; E157-R197 VanDerWaalsContact OE2-NH2 3.11Å; E157-K200 IonicContact OE1-NZ 2.76Å; E157-K200 PolarHBondContact OE1-NZ 3.15Å; E157-K200 IonicContact OE2-NZ 2.65Å
158	E	83.9	Confident	76.4	Confident	132 Å²	132	51.8 Å²	51.8	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-63.4	-42.3	176.8	60.5	-163.3	-145.4	0	0	113.4	A156 V160 D161 F162	A156-E158 HydrophobicContact CB-CG 3.91Å; A156-E158 PolarHBondContact O-N 3.41Å; E158-V160 VanDerWaalsContact C-N 3.29Å; E158-V160 PolarHBondContact O-N 3.43Å; E158-D161 PolarHBondContact O-N 3.3Å; E158-F162 PolarHBondContact O-N 3.31Å; E158-F162 VanDerWaalsContact O-N 3.13Å
159	D	85.7	Confident	79	Confident	59 Å²	59	46.5 Å²	46.5	32%	0.316	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-38.6	177.5	-67.5	-31.3	0	0	0	111	M114 A156 Y163	M114-D159 HydrophobicContact CB-CB 4.19Å; A156-D159 PolarHBondContact O-N 3.35Å; A156-D159 VanDerWaalsContact O-N 3.17Å; D159-Y163 WeakPolarHBondContact O-CD2 2.87Å
160	V	88.2	Confident	81.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-75.1	-37.9	178.3	-170.6	0	0	0	0	111.3	M114 F137 P138 F155 A156 E157 E158 F162 Y163 L164 L167 Y184	M114-V160 HydrophobicContact CG-CG2 4.49Å; M114-V160 HydrophobicContact SD-CG2 4.15Å; F137-V160 HydrophobicContact CD1-CG1 3.88Å; F137-V160 HydrophobicContact CD1-CG2 4.4Å; F137-V160 HydrophobicContact CE1-CG1 4.07Å; P138-V160 HydrophobicContact CG-CG2 3.98Å; F155-V160 HydrophobicContact CB-CG2 3.6Å; F155-V160 HydrophobicContact CD2-CG2 4.47Å; F155-V160 HydrophobicContact CG-CG2 4.42Å; A156-V160 WeakPolarHBondContact O-CG2 3.31Å; A156-V160 PolarHBondContact O-N 3.09Å; E157-V160 PolarHBondContact O-N 3.43Å; E158-V160 VanDerWaalsContact C-N 3.29Å; E158-V160 PolarHBondContact O-N 3.43Å; V160-F162 VanDerWaalsContact C-N 3.25Å; V160-F162 PolarHBondContact O-N 3.46Å; V160-Y163 CarbonylContact O-C 3.52Å; V160-Y163 PolarHBondContact O-N 3.48Å; V160-L164 PolarHBondContact O-N 3.35Å; V160-L167 HydrophobicContact CG1-CD1 3.56Å; V160-Y184 HydrophobicContact CG1-CE1 4.1Å; V160-Y184 HydrophobicContact CG1-CE2 4.29Å; V160-Y184 WeakPolarHBondContact CG1-OH 3.35Å
161	D	90.5	Very high	83.4	Confident	56 Å²	56	38.3 Å²	38.3	30%	0.299	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-31.6	179.6	-74.3	-1.7	0	0	0	112	E157 E158 Y163 L164 R197 F204	E157-D161 WeakPolarHBondContact O-CB 3.48Å; E157-D161 PolarHBondContact O-N 3.36Å; E158-D161 PolarHBondContact O-N 3.3Å; D161-Y163 VanDerWaalsContact C-N 3.26Å; D161-Y163 PolarHBondContact O-N 2.65Å; D161-L164 VanDerWaalsContact O-CB 3.24Å; D161-L164 WeakPolarHBondContact O-CB 3.04Å; D161-L164 PolarHBondContact O-N 3.07Å; D161-R197 VanDerWaalsContact CG-NH2 3.27Å; D161-R197 IonicContact OD1-CZ 3.72Å; D161-R197 VanDerWaalsContact OD1-CZ 3.24Å; D161-R197 IonicContact OD1-NH1 2.71Å; D161-R197 PolarHBondContact OD1-NH1 3.37Å; D161-R197 IonicContact OD1-NH2 2.64Å; D161-R197 PolarHBondContact OD1-NH2 3.03Å; D161-R197 IonicContact OD2-CZ 3.8Å; D161-R197 IonicContact OD2-NH1 2.8Å; D161-R197 IonicContact OD2-NH2 3.26Å; D161-R197 PolarHBondContact OD2-NH2 3.19Å; D161-F204 WeakPolarHBondContact OD1-CD2 3.07Å; D161-F204 WeakPolarHBondContact OD1-CE2 3.09Å
162	F	92.6	Very high	85.4	Confident	47 Å²	47	34.9 Å²	34.9	21%	0.206	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-38.2	170.7	178	-96.2	0	0	0	112.5	E158 V160 Q556 C559 Q560 I746	E158-F162 PolarHBondContact O-N 3.31Å; E158-F162 VanDerWaalsContact O-N 3.13Å; V160-F162 VanDerWaalsContact C-N 3.25Å; V160-F162 PolarHBondContact O-N 3.46Å; F162-Q556 HydrophobicContact CE2-CB 4.39Å; F162-Q556 HydrophobicContact CE2-CG 4.23Å; F162-Q556 HydrophobicContact CZ-CB 3.96Å; F162-Q556 HydrophobicContact CZ-CG 4.14Å; F162-Q556 PolarHBondContact O-NE2 3.34Å; F162-C559 HydrophobicContact CE2-CB 3.66Å; F162-C559 HydrophobicContact CZ-CB 4.02Å; F162-Q560 HydrophobicContact CE1-CG 4.44Å; F162-Q560 VanDerWaalsContact CE1-NE2 3.28Å; F162-Q560 HydrophobicContact CZ-CG 4.27Å; F162-I746 HydrophobicContact CE1-CD1 4.2Å
163	Y	94.5	Very high	87	Confident	10 Å²	10	27.6 Å²	27.6	4%	0.039	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.9	179.1	-70.1	-78.3	0	0	0	113.9	M114 R115 I118 D159 V160 D161 P165 Q166 L167 I746	M114-Y163 HydrophobicContact CB-CD2 4.37Å; M114-Y163 HydrophobicContact CB-CE2 4.32Å; M114-Y163 HydrophobicContact CE-CD2 4.16Å; M114-Y163 HydrophobicContact CE-CG 4.21Å; M114-Y163 HydrophobicContact CG-CD2 3.48Å; M114-Y163 VanDerWaalsContact CG-CD2 3.48Å; M114-Y163 HydrophobicContact CG-CE2 3.89Å; M114-Y163 HydrophobicContact CG-CG 4.41Å; R115-Y163 HydrophobicContact CG-CE2 4.46Å; R115-Y163 WeakPolarHBondContact CG-OH 3.49Å; I118-Y163 HydrophobicContact CB-CD1 4.45Å; I118-Y163 HydrophobicContact CG1-CD1 4.24Å; I118-Y163 HydrophobicContact CG2-CD1 4.08Å; I118-Y163 HydrophobicContact CG2-CE1 3.86Å; D159-Y163 WeakPolarHBondContact O-CD2 2.87Å; V160-Y163 CarbonylContact O-C 3.52Å; V160-Y163 PolarHBondContact O-N 3.48Å; D161-Y163 VanDerWaalsContact C-N 3.26Å; D161-Y163 PolarHBondContact O-N 2.65Å; Y163-P165 VanDerWaalsContact C-CD 3.42Å; Y163-P165 VanDerWaalsContact C-N 3.32Å; Y163-Q166 HydrophobicContact CD1-CG 4.4Å; Y163-Q166 WeakPolarHBondContact O-CB 3.31Å; Y163-Q166 PolarHBondContact O-N 2.93Å; Y163-Q166 PolarHBondContact O-OE1 2.88Å; Y163-L167 WeakPolarHBondContact O-CG 3.41Å; Y163-L167 PolarHBondContact O-N 2.98Å; Y163-I746 HydrophobicContact CE1-CD1 4.15Å; Y163-I746 HydrophobicContact CE1-CG1 3.98Å
164	L	94.6	Very high	88.4	Confident	7 Å²	7	28.2 Å²	28.2	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-52.7	-41.2	179.8	-177.9	62.6	0	0	0	113.5	V160 D161 Q166 L167 V168 F185 F204 K207 L211	V160-L164 PolarHBondContact O-N 3.35Å; D161-L164 VanDerWaalsContact O-CB 3.24Å; D161-L164 WeakPolarHBondContact O-CB 3.04Å; D161-L164 PolarHBondContact O-N 3.07Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 3.13Å; L164-L167 PolarHBondContact O-N 3.19Å; L164-V168 HydrophobicContact CD1-CG2 3.96Å; L164-V168 HydrophobicContact CG-CG2 4.34Å; L164-V168 WeakPolarHBondContact O-CB 3.42Å; L164-V168 WeakPolarHBondContact O-CG2 3.32Å; L164-V168 PolarHBondContact O-N 2.98Å; L164-F185 HydrophobicContact CD1-CE1 3.89Å; L164-F185 HydrophobicContact CD1-CZ 4.35Å; L164-F204 HydrophobicContact CD1-CE2 3.82Å; L164-F204 HydrophobicContact CD1-CZ 3.77Å; L164-F204 HydrophobicContact CD2-CD2 4.45Å; L164-F204 HydrophobicContact CD2-CE2 4.25Å; L164-K207 HydrophobicContact CD2-CB 3.92Å; L164-L211 HydrophobicContact CB-CD1 4.45Å; L164-L211 HydrophobicContact CD2-CD1 3.9Å; L164-L211 HydrophobicContact CG-CD1 3.72Å
165	P	96.1	Very high	89.4	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-42.7	174.9	-24.9	36.4	0	0	0	113.1	Y163 V168 S169 L211 F215 L552 M750	Y163-P165 VanDerWaalsContact C-CD 3.42Å; Y163-P165 VanDerWaalsContact C-N 3.32Å; P165-V168 PolarHBondContact O-N 3.24Å; P165-S169 WeakPolarHBondContact O-CB 3.39Å; P165-S169 PolarHBondContact O-N 3.43Å; P165-L211 HydrophobicContact CG-CD1 4.33Å; P165-F215 HydrophobicContact CB-CE2 4.09Å; P165-F215 HydrophobicContact CB-CZ 4.09Å; P165-F215 WeakPolarHBondContact O-CE2 3.18Å; P165-L552 HydrophobicContact CB-CD2 4.21Å; P165-L552 HydrophobicContact CG-CD2 3.8Å; P165-L552 HydrophobicContact CG-CG 4.39Å; P165-M750 HydrophobicContact CB-SD 4.28Å
166	Q	96.2	Very high	90	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-46.1	177.8	-72.6	67.3	34	0	0	110.7	I118 Y163 L164 V168 S169 L170 I749 M750	I118-Q166 HydrophobicContact CD1-CB 4.33Å; I118-Q166 HydrophobicContact CG1-CB 4.46Å; Y163-Q166 HydrophobicContact CD1-CG 4.4Å; Y163-Q166 WeakPolarHBondContact O-CB 3.31Å; Y163-Q166 PolarHBondContact O-N 2.93Å; Y163-Q166 PolarHBondContact O-OE1 2.88Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 3.13Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; Q166-V168 PolarHBondContact O-N 3.15Å; Q166-S169 WeakPolarHBondContact O-CB 3.5Å; Q166-S169 PolarHBondContact O-N 3.15Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 3.29Å; Q166-I749 HydrophobicContact CB-CB 4.41Å; Q166-I749 HydrophobicContact CB-CD1 4.32Å; Q166-I749 HydrophobicContact CB-CG2 3.69Å; Q166-I749 HydrophobicContact CG-CB 4.14Å; Q166-I749 HydrophobicContact CG-CD1 4.31Å; Q166-I749 HydrophobicContact CG-CG2 3.89Å; Q166-M750 HydrophobicContact CG-CG 4.33Å; Q166-M750 HydrophobicContact CG-SD 4.44Å; Q166-M750 VanDerWaalsContact NE2-CG 3.34Å
167	L	94.1	Very high	90.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-41.8	178	-66.4	174.9	0	0	0	111.9	M114 I118 L121 F137 V160 Y163 L164 Y171 L181 Y184 F185	M114-L167 HydrophobicContact CE-CD2 4.35Å; I118-L167 HydrophobicContact CD1-CD2 3.56Å; I118-L167 HydrophobicContact CD1-CG 4.21Å; L121-L167 HydrophobicContact CD2-CD2 3.99Å; F137-L167 HydrophobicContact CE1-CD1 4.11Å; F137-L167 HydrophobicContact CE1-CD2 3.86Å; F137-L167 HydrophobicContact CZ-CD2 3.85Å; V160-L167 HydrophobicContact CG1-CD1 3.56Å; Y163-L167 WeakPolarHBondContact O-CG 3.41Å; Y163-L167 PolarHBondContact O-N 2.98Å; L164-L167 PolarHBondContact O-N 3.19Å; L167-Y171 WeakPolarHBondContact O-CB 3.37Å; L167-Y171 PolarHBondContact O-N 3.43Å; L167-L181 HydrophobicContact CB-CD1 4.43Å; L167-L181 HydrophobicContact CD2-CD1 3.98Å; L167-L181 HydrophobicContact CD2-CD2 3.97Å; L167-Y184 HydrophobicContact CD1-CE1 4.22Å; L167-F185 HydrophobicContact CB-CZ 4.1Å
168	V	93.9	Very high	90.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-40.1	175.2	174.4	0	0	0	0	111.2	L164 P165 Q166 Y171 I172 F185 T208 L211 L212 F215	L164-V168 HydrophobicContact CD1-CG2 3.96Å; L164-V168 HydrophobicContact CG-CG2 4.34Å; L164-V168 WeakPolarHBondContact O-CB 3.42Å; L164-V168 WeakPolarHBondContact O-CG2 3.32Å; L164-V168 PolarHBondContact O-N 2.98Å; P165-V168 PolarHBondContact O-N 3.24Å; Q166-V168 VanDerWaalsContact C-N 3.34Å; Q166-V168 PolarHBondContact O-N 3.15Å; V168-Y171 PolarHBondContact O-N 3.27Å; V168-I172 HydrophobicContact CG1-CD1 3.93Å; V168-I172 HydrophobicContact CG1-CG1 4.47Å; V168-I172 VanDerWaalsContact O-CG1 3.29Å; V168-I172 WeakPolarHBondContact O-CG1 3.25Å; V168-I172 PolarHBondContact O-N 3.43Å; V168-F185 HydrophobicContact CG2-CE1 4.33Å; V168-F185 HydrophobicContact CG2-CZ 4.14Å; V168-T208 HydrophobicContact CG2-CG2 4.32Å; V168-L211 HydrophobicContact CB-CB 4.28Å; V168-L211 HydrophobicContact CG1-CB 3.98Å; V168-L211 HydrophobicContact CG2-CB 4.18Å; V168-L211 HydrophobicContact CG2-CD1 4.37Å; V168-L212 HydrophobicContact CG1-CD2 3.83Å; V168-L212 HydrophobicContact CG1-CG 3.93Å; V168-F215 HydrophobicContact CB-CD2 4.49Å; V168-F215 HydrophobicContact CG1-CD2 4.09Å
169	S	93.6	Very high	90.9	Very high	5 Å²	5	34.7 Å²	34.7	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-48.9	175.4	-174.4	0	0	0	0	111.8	P165 Q166 I172 N173 I749	P165-S169 WeakPolarHBondContact O-CB 3.39Å; P165-S169 PolarHBondContact O-N 3.43Å; Q166-S169 WeakPolarHBondContact O-CB 3.5Å; Q166-S169 PolarHBondContact O-N 3.15Å; S169-I172 PolarHBondContact O-N 3.08Å; S169-N173 WeakPolarHBondContact O-CB 3.21Å; S169-N173 PolarHBondContact O-N 2.91Å; S169-N173 PolarHBondContact O-ND2 3.29Å; S169-I749 PolarHBondContact OG-O 3.05Å
170	L	92.4	Very high	90.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-45.7	175.4	-67.7	175.2	0	0	0	111	I118 L121 F122 Q166 I172 N173 E174 I177 I749	I118-L170 HydrophobicContact CD1-CD1 4.12Å; L121-L170 HydrophobicContact CD2-CD1 4Å; L121-L170 HydrophobicContact CG-CD1 4.43Å; F122-L170 HydrophobicContact CD2-CD2 3.59Å; F122-L170 HydrophobicContact CE2-CD2 4.25Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 3.29Å; L170-I172 VanDerWaalsContact C-N 3.26Å; L170-I172 PolarHBondContact O-N 3.31Å; L170-N173 PolarHBondContact O-N 2.68Å; L170-E174 HydrophobicContact CD2-CG 4.38Å; L170-E174 PolarHBondContact O-N 3.41Å; L170-I177 HydrophobicContact CB-CG2 3.99Å; L170-I177 HydrophobicContact CD1-CG2 4.43Å; L170-I177 HydrophobicContact CD2-CD1 4.11Å; L170-I749 HydrophobicContact CD1-CD1 4.36Å; L170-I749 HydrophobicContact CD1-CG2 4.14Å; L170-I749 HydrophobicContact CD2-CG1 4.37Å; L170-I749 HydrophobicContact CD2-CG2 3.78Å; L170-I749 HydrophobicContact CG-CG2 3.62Å
171	Y	91.6	Very high	90.8	Very high	4 Å²	4	33 Å²	33	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-38.8	177.2	-172.8	-86.7	0	0	0	111.4	L167 V168 A178 L181 H182 F185 L212 H228 L232	L167-Y171 WeakPolarHBondContact O-CB 3.37Å; L167-Y171 PolarHBondContact O-N 3.43Å; V168-Y171 PolarHBondContact O-N 3.27Å; Y171-A178 HydrophobicContact CD2-CB 3.78Å; Y171-A178 HydrophobicContact CE2-CB 3.97Å; Y171-A178 WeakPolarHBondContact CE2-O 3.42Å; Y171-A178 HydrophobicContact CG-CB 4.15Å; Y171-A178 WeakPolarHBondContact O-CB 3.46Å; Y171-L181 HydrophobicContact CD2-CB 4.14Å; Y171-H182 HydrophobicContact CE2-CB 4.23Å; Y171-H182 AromaticContact CE2-ND1 3.87Å; Y171-H182 AromaticContact CZ-ND1 3.76Å; Y171-H182 PolarHBondContact OH-CE1 2.79Å; Y171-H182 PolarHBondContact OH-ND1 2.94Å; Y171-F185 AromaticContact CD2-CD2 3.79Å; Y171-F185 HydrophobicContact CD2-CD2 3.79Å; Y171-F185 AromaticContact CD2-CE2 3.91Å; Y171-F185 HydrophobicContact CD2-CE2 3.91Å; Y171-F185 HydrophobicContact CE2-CD2 4.16Å; Y171-F185 HydrophobicContact CG-CD2 4.34Å; Y171-F185 HydrophobicContact CG-CE2 4.15Å; Y171-L212 HydrophobicContact CD1-CD2 4.47Å; Y171-H228 AromaticContact CE1-CD2 3.68Å; Y171-H228 AromaticContact CZ-CD2 3.99Å; Y171-H228 PolarHBondContact O-CD2 3.29Å; Y171-H228 VanDerWaalsContact O-CD2 3.27Å; Y171-H228 PolarHBondContact O-NE2 2.87Å; Y171-L232 HydrophobicContact CD1-CD2 3.81Å; Y171-L232 HydrophobicContact CE1-CB 3.89Å; Y171-L232 HydrophobicContact CE1-CD2 3.38Å; Y171-L232 HydrophobicContact CE1-CG 4.26Å; Y171-L232 HydrophobicContact CE2-CD2 4.21Å; Y171-L232 HydrophobicContact CG-CD2 4.39Å
172	I	90.6	Very high	90.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-71.6	-40.8	178.3	-68.6	165.5	0	0	0	112.2	V168 S169 L170 L212 F215 R226	V168-I172 HydrophobicContact CG1-CD1 3.93Å; V168-I172 HydrophobicContact CG1-CG1 4.47Å; V168-I172 VanDerWaalsContact O-CG1 3.29Å; V168-I172 WeakPolarHBondContact O-CG1 3.25Å; V168-I172 PolarHBondContact O-N 3.43Å; S169-I172 PolarHBondContact O-N 3.08Å; L170-I172 VanDerWaalsContact C-N 3.26Å; L170-I172 PolarHBondContact O-N 3.31Å; I172-L212 HydrophobicContact CD1-CD2 4.07Å; I172-L212 HydrophobicContact CG1-CD2 3.85Å; I172-F215 HydrophobicContact CD1-CB 3.69Å; I172-R226 HydrophobicContact CG2-CG 3.9Å
173	N	88.6	Confident	89.8	Confident	38 Å²	38	33 Å²	33	20%	0.203	16%	0.156	C	C	.	.	H	α-helix	trans	-101.4	-24.9	-163.5	-64.9	-65.1	0	0	0	114.5	S169 L170 R226 S752	S169-N173 WeakPolarHBondContact O-CB 3.21Å; S169-N173 PolarHBondContact O-N 2.91Å; S169-N173 PolarHBondContact O-ND2 3.29Å; L170-N173 PolarHBondContact O-N 2.68Å; N173-R226 PolarHBondContact OD1-NH2 3.19Å; N173-S752 PolarHBondContact ND2-O 3.38Å
174	E	88.3	Confident	89.1	Confident	64 Å²	64	33.1 Å²	33.1	30%	0.299	16%	0.156	S	C	.	.			trans	-120	104.3	-174	-65.8	-62.5	157.8	0	0	111.1	L170 E176 I177 A178	L170-E174 HydrophobicContact CD2-CG 4.38Å; L170-E174 PolarHBondContact O-N 3.41Å; E174-E176 PolarHBondContact O-N 2.84Å; E174-I177 HydrophobicContact CB-CB 4Å; E174-I177 HydrophobicContact CB-CD1 3.8Å; E174-I177 HydrophobicContact CB-CG1 4.06Å; E174-I177 HydrophobicContact CG-CD1 4.09Å; E174-I177 PolarHBondContact O-N 2.99Å; E174-A178 WeakPolarHBondContact O-CB 3.37Å; E174-A178 PolarHBondContact O-N 3.31Å
175	R	87.1	Confident	88.4	Confident	180 Å²	180	32.8 Å²	32.8	68%	0.679	16%	0.155	S	C	*	.	H	α-helix	trans	-63.9	-42	-171.8	-177.3	177.2	174.9	171	1	113.5	I177 A178 E179	R175-I177 VanDerWaalsContact C-N 3.34Å; R175-A178 WeakPolarHBondContact O-CB 3.46Å; R175-A178 PolarHBondContact O-N 3.37Å; R175-E179 IonicContact NE-OE1 3.26Å; R175-E179 PolarHBondContact NE-OE1 3.44Å; R175-E179 IonicContact NH2-OE1 2.71Å; R175-E179 PolarHBondContact O-N 3.06Å
176	E	87.6	Confident	87.1	Confident	118 Å²	118	32.7 Å²	32.7	55%	0.551	15%	0.154	S	C	*	.	H	α-helix	trans	-63.2	-43.3	-179.9	-65.1	174.1	178.6	0	0	110.9	E174 A178 E179 V180	E174-E176 PolarHBondContact O-N 2.84Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-E179 PolarHBondContact O-N 3.39Å; E176-V180 PolarHBondContact O-N 2.88Å
177	I	89.6	Confident	85.3	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-38.4	174.4	-60.1	175.4	0	0	0	110.5	L121 L170 E174 R175 E179 V180 L181	L121-I177 HydrophobicContact CD1-CG2 4.03Å; L121-I177 HydrophobicContact CD2-CG2 3.98Å; L121-I177 HydrophobicContact CG-CG2 3.88Å; L121-I177 WeakPolarHBondContact O-CD1 3.37Å; L170-I177 HydrophobicContact CB-CG2 3.99Å; L170-I177 HydrophobicContact CD1-CG2 4.43Å; L170-I177 HydrophobicContact CD2-CD1 4.11Å; E174-I177 HydrophobicContact CB-CB 4Å; E174-I177 HydrophobicContact CB-CD1 3.8Å; E174-I177 HydrophobicContact CB-CG1 4.06Å; E174-I177 HydrophobicContact CG-CD1 4.09Å; E174-I177 PolarHBondContact O-N 2.99Å; R175-I177 VanDerWaalsContact C-N 3.34Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 3.28Å; I177-V180 PolarHBondContact O-N 3.39Å; I177-L181 HydrophobicContact CG2-CD1 3.68Å; I177-L181 HydrophobicContact CG2-CG 3.92Å; I177-L181 WeakPolarHBondContact O-CB 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.22Å; I177-L181 PolarHBondContact O-N 2.77Å
178	A	88.1	Confident	83.2	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-37.6	178.1	0	0	0	0	0	112.6	Y171 E174 R175 E176 V180 L181 H182	Y171-A178 HydrophobicContact CD2-CB 3.78Å; Y171-A178 HydrophobicContact CE2-CB 3.97Å; Y171-A178 WeakPolarHBondContact CE2-O 3.42Å; Y171-A178 HydrophobicContact CG-CB 4.15Å; Y171-A178 WeakPolarHBondContact O-CB 3.46Å; E174-A178 WeakPolarHBondContact O-CB 3.37Å; E174-A178 PolarHBondContact O-N 3.31Å; R175-A178 WeakPolarHBondContact O-CB 3.46Å; R175-A178 PolarHBondContact O-N 3.37Å; E176-A178 VanDerWaalsContact C-N 3.34Å; A178-V180 VanDerWaalsContact C-N 3.31Å; A178-L181 PolarHBondContact O-N 3.17Å; A178-H182 WeakPolarHBondContact O-CA 3.49Å; A178-H182 VanDerWaalsContact O-CB 3.28Å; A178-H182 WeakPolarHBondContact O-CB 3.38Å; A178-H182 PolarHBondContact O-N 3.27Å
179	E	85	Confident	81.1	Confident	120 Å²	120	48.2 Å²	48.2	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-65.1	-36.5	176.1	-72	174.1	-169.3	0	0	111.7	R175 E176 I177 P183	R175-E179 IonicContact NE-OE1 3.26Å; R175-E179 PolarHBondContact NE-OE1 3.44Å; R175-E179 IonicContact NH2-OE1 2.71Å; R175-E179 PolarHBondContact O-N 3.06Å; E176-E179 PolarHBondContact O-N 3.39Å; I177-E179 VanDerWaalsContact C-N 3.32Å; I177-E179 PolarHBondContact O-N 3.28Å; E179-P183 WeakPolarHBondContact O-CD 3.49Å
180	V	84.6	Confident	78.7	Confident	24 Å²	24	54.3 Å²	54.3	15%	0.145	26%	0.263	C	S	.	.	H	α-helix	trans	-73.8	-40.1	176.1	169.3	0	0	0	0	112.6	L121 L130 G134 E176 I177 A178 H182 P183	L121-V180 HydrophobicContact CD1-CG1 4.49Å; L130-V180 HydrophobicContact CB-CG2 3.96Å; L130-V180 WeakPolarHBondContact O-CG1 3.49Å; G134-V180 VanDerWaalsContact CA-CG1 3.45Å; E176-V180 PolarHBondContact O-N 2.88Å; I177-V180 PolarHBondContact O-N 3.39Å; A178-V180 VanDerWaalsContact C-N 3.31Å; V180-H182 VanDerWaalsContact C-N 3.33Å; V180-P183 WeakPolarHBondContact O-CD 3.29Å
181	L	86.6	Confident	76.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-79.3	-17.4	177.2	-70	-177.7	0	0	0	112.6	L121 F137 L167 Y171 I177 A178 Y184 F185	L121-L181 HydrophobicContact CD2-CD1 4.18Å; L121-L181 HydrophobicContact CD2-CD2 3.93Å; L121-L181 HydrophobicContact CD2-CG 4.28Å; F137-L181 HydrophobicContact CD2-CD2 4.07Å; F137-L181 HydrophobicContact CE2-CD2 3.76Å; F137-L181 HydrophobicContact CZ-CD2 4.05Å; L167-L181 HydrophobicContact CB-CD1 4.43Å; L167-L181 HydrophobicContact CD2-CD1 3.98Å; L167-L181 HydrophobicContact CD2-CD2 3.97Å; Y171-L181 HydrophobicContact CD2-CB 4.14Å; I177-L181 HydrophobicContact CG2-CD1 3.68Å; I177-L181 HydrophobicContact CG2-CG 3.92Å; I177-L181 WeakPolarHBondContact O-CB 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.22Å; I177-L181 PolarHBondContact O-N 2.77Å; A178-L181 PolarHBondContact O-N 3.17Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 2.77Å; L181-Y184 VanDerWaalsContact O-N 3.11Å; L181-F185 HydrophobicContact CB-CD2 4.24Å; L181-F185 HydrophobicContact CB-CE2 4.12Å; L181-F185 HydrophobicContact CD1-CE2 4.43Å; L181-F185 WeakPolarHBondContact O-CD2 3.43Å; L181-F185 PolarHBondContact O-N 3.36Å
182	H	85.1	Confident	73.4	Confident	48 Å²	48	63.9 Å²	63.9	22%	0.222	33%	0.326	C	S	.	.	H	α-helix	trans	-54.7	-54.1	-177.3	-164.7	75	0	0	0	110.4	Y171 A178 V180 Y184 F185 L186	Y171-H182 HydrophobicContact CE2-CB 4.23Å; Y171-H182 AromaticContact CE2-ND1 3.87Å; Y171-H182 AromaticContact CZ-ND1 3.76Å; Y171-H182 PolarHBondContact OH-CE1 2.79Å; Y171-H182 PolarHBondContact OH-ND1 2.94Å; A178-H182 WeakPolarHBondContact O-CA 3.49Å; A178-H182 VanDerWaalsContact O-CB 3.28Å; A178-H182 WeakPolarHBondContact O-CB 3.38Å; A178-H182 PolarHBondContact O-N 3.27Å; V180-H182 VanDerWaalsContact C-N 3.33Å; H182-Y184 PolarHBondContact O-N 2.72Å; H182-F185 CarbonylContact O-C 3.52Å; H182-F185 PolarHBondContact O-N 3.48Å; H182-L186 CarbonylContact C-O 3.09Å; H182-L186 PolarHBondContact CD2-O 2.85Å; H182-L186 CarbonylContact O-C 3.29Å; H182-L186 VanDerWaalsContact O-C 3.29Å; H182-L186 WeakPolarHBondContact O-CA 3.41Å; H182-L186 PolarHBondContact O-N 3.38Å
183	P	78.2	Confident	70.7	Confident	55 Å²	55	67.8 Å²	67.8	36%	0.357	35%	0.35	S	S	.	.	H	α-helix	trans	-53.6	-29.6	178.9	-27	36.4	0	0	0	115.6	E179 V180 L186 L196	E179-P183 WeakPolarHBondContact O-CD 3.49Å; V180-P183 WeakPolarHBondContact O-CD 3.29Å; P183-L186 VanDerWaalsContact CA-O 3.28Å; P183-L186 WeakPolarHBondContact CA-O 3.42Å; P183-L196 WeakPolarHBondContact O-CD1 3.47Å
184	Y	79.4	Confident	68	Low	13 Å²	13	68.3 Å²	68.3	5%	0.051	36%	0.357	C	S	.	.	H	α-helix	trans	-71.8	-40.7	176.3	173.3	-104.6	0	0	0	112.3	F137 P138 V160 L167 L181 H182 L196 R197 F204	F137-Y184 HydrophobicContact CB-CD2 3.74Å; F137-Y184 HydrophobicContact CB-CE2 4.27Å; F137-Y184 HydrophobicContact CB-CG 4.14Å; P138-Y184 HydrophobicContact CG-CE2 4.22Å; V160-Y184 HydrophobicContact CG1-CE1 4.1Å; V160-Y184 HydrophobicContact CG1-CE2 4.29Å; V160-Y184 WeakPolarHBondContact CG1-OH 3.35Å; L167-Y184 HydrophobicContact CD1-CE1 4.22Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 2.77Å; L181-Y184 VanDerWaalsContact O-N 3.11Å; H182-Y184 PolarHBondContact O-N 2.72Å; Y184-L196 WeakPolarHBondContact O-CD1 3.41Å; Y184-R197 HydrophobicContact CD2-CG 4.09Å; Y184-R197 HydrophobicContact CE1-CG 4.42Å; Y184-R197 HydrophobicContact CE2-CG 3.43Å; Y184-R197 VanDerWaalsContact CE2-CG 3.43Å; Y184-R197 PolarHBondContact OH-NH1 2.94Å; Y184-F204 HydrophobicContact CE1-CE2 4.44Å; Y184-F204 AromaticContact CE1-CZ 3.79Å; Y184-F204 HydrophobicContact CE1-CZ 3.79Å
185	F	79.5	Confident	66.1	Low	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-80.8	-52.2	173.9	-69.3	-67.1	0	0	0	112.7	L164 L167 V168 Y171 L181 H182 L196 C198 F204 T208 L232	L164-F185 HydrophobicContact CD1-CE1 3.89Å; L164-F185 HydrophobicContact CD1-CZ 4.35Å; L167-F185 HydrophobicContact CB-CZ 4.1Å; V168-F185 HydrophobicContact CG2-CE1 4.33Å; V168-F185 HydrophobicContact CG2-CZ 4.14Å; Y171-F185 AromaticContact CD2-CD2 3.79Å; Y171-F185 HydrophobicContact CD2-CD2 3.79Å; Y171-F185 AromaticContact CD2-CE2 3.91Å; Y171-F185 HydrophobicContact CD2-CE2 3.91Å; Y171-F185 HydrophobicContact CE2-CD2 4.16Å; Y171-F185 HydrophobicContact CG-CD2 4.34Å; Y171-F185 HydrophobicContact CG-CE2 4.15Å; L181-F185 HydrophobicContact CB-CD2 4.24Å; L181-F185 HydrophobicContact CB-CE2 4.12Å; L181-F185 HydrophobicContact CD1-CE2 4.43Å; L181-F185 WeakPolarHBondContact O-CD2 3.43Å; L181-F185 PolarHBondContact O-N 3.36Å; H182-F185 CarbonylContact O-C 3.52Å; H182-F185 PolarHBondContact O-N 3.48Å; F185-L196 VanDerWaalsContact C-CD1 3.44Å; F185-L196 WeakPolarHBondContact O-CD1 3.19Å; F185-L196 WeakPolarHBondContact O-CD2 3.47Å; F185-L196 VanDerWaalsContact O-CG 3.25Å; F185-L196 WeakPolarHBondContact O-CG 3.31Å; F185-C198 WeakPolarHBondContact O-CB 3.43Å; F185-F204 AromaticContact CD1-CE1 3.95Å; F185-F204 HydrophobicContact CD1-CE1 3.95Å; F185-F204 HydrophobicContact CD1-CZ 4.16Å; F185-F204 HydrophobicContact CE1-CE1 4.19Å; F185-F204 AromaticContact CE1-CZ 4Å; F185-F204 HydrophobicContact CE1-CZ 4Å; F185-T208 HydrophobicContact CD1-CG2 3.9Å; F185-T208 HydrophobicContact CE1-CG2 3.87Å; F185-L232 HydrophobicContact CB-CD1 4.07Å; F185-L232 HydrophobicContact CB-CD2 4.08Å; F185-L232 HydrophobicContact CD2-CD2 4.29Å; F185-L232 HydrophobicContact CG-CD2 4.07Å
186	L	69.8	Low	65.2	Low	7 Å²	7	62.3 Å²	62.3	4%	0.037	34%	0.338	C	S	.	.	S	Bend	trans	-141.3	132.5	-179.7	-71.2	-174.5	0	0	0	116.9	H182 P183 S188 L196 L232 L235 I241	H182-L186 CarbonylContact C-O 3.09Å; H182-L186 PolarHBondContact CD2-O 2.85Å; H182-L186 CarbonylContact O-C 3.29Å; H182-L186 VanDerWaalsContact O-C 3.29Å; H182-L186 WeakPolarHBondContact O-CA 3.41Å; H182-L186 PolarHBondContact O-N 3.38Å; P183-L186 VanDerWaalsContact CA-O 3.28Å; P183-L186 WeakPolarHBondContact CA-O 3.42Å; L186-S188 PolarHBondContact O-N 2.74Å; L186-L196 HydrophobicContact CD2-CD2 3.54Å; L186-L232 HydrophobicContact CB-CD1 4.32Å; L186-L232 HydrophobicContact CD1-CD1 3.2Å; L186-L232 HydrophobicContact CG-CD1 3.46Å; L186-L232 VanDerWaalsContact CG-CD1 3.46Å; L186-L235 HydrophobicContact CD1-CB 3.7Å; L186-L235 HydrophobicContact CD1-CD1 3.56Å; L186-L235 HydrophobicContact CD1-CG 4.26Å; L186-I241 HydrophobicContact CD1-CD1 3.79Å; L186-I241 HydrophobicContact CD1-CG1 4.2Å; L186-I241 HydrophobicContact CD2-CB 4Å; L186-I241 HydrophobicContact CD2-CD1 3.28Å; L186-I241 HydrophobicContact CD2-CG1 3.5Å; L186-I241 VanDerWaalsContact CD2-CG1 3.5Å; L186-I241 HydrophobicContact CD2-CG2 3.28Å; L186-I241 HydrophobicContact CG-CD1 4.06Å
187	H	58.6	Low	64.8	Low	75 Å²	75	56.9 Å²	56.9	35%	0.347	31%	0.312	S	S	.	.			trans	-60.7	130.5	176	-177.8	75.2	0	0	0	113.3	I190 V191	H187-I190 PolarHBondContact CE1-O 3.18Å; H187-I190 VanDerWaalsContact CE1-O 3.23Å; H187-V191 PolarHBondContact CE1-O 2.82Å
188	S	49.6	Very low	64.5	Low	61 Å²	61	56.7 Å²	56.7	43%	0.427	31%	0.311	S	S	.	.			trans	-86.3	140.4	158.4	167.3	0	0	0	0	108.7	L186 I190	L186-S188 PolarHBondContact O-N 2.74Å; S188-I190 PolarHBondContact O-N 2.92Å
189	H	49.3	Very low	64	Low	191 Å²	191	60.9 Å²	60.9	88%	0.884	33%	0.326	S	S	*	.	S	Bend	trans	-47.2	11.6	-170	-80.6	-89.8	0	0	0	119.9
190	I	43.3	Very low	63.6	Low	132 Å²	132	60.3 Å²	60.3	68%	0.677	32%	0.322	S	S	*	.	S	Bend	trans	-113.1	115.4	-172.4	-50.3	177.9	0	0	0	107.7	H187 S188	H187-I190 PolarHBondContact CE1-O 3.18Å; H187-I190 VanDerWaalsContact CE1-O 3.23Å; S188-I190 PolarHBondContact O-N 2.92Å
191	V	38.6	Very low	63.6	Low	103 Å²	103	60.8 Å²	60.8	62%	0.624	33%	0.326	S	S	*	.			trans	78.8	94.7	177	-157.1	0	0	0	0	114.9	H187 V193	H187-V191 PolarHBondContact CE1-O 2.82Å; V191-V193 PolarHBondContact O-N 2.78Å
192	S	33.3	Very low	63.7	Low	104 Å²	104	62.2 Å²	62.2	73%	0.727	34%	0.335	S	S	*	.	S	Bend	trans	-45.2	138.7	157	-59.3	0	0	0	0	109.8
193	V	34.5	Very low	63.9	Low	82 Å²	82	60.6 Å²	60.6	50%	0.497	33%	0.327	S	S	.	.			trans	89.2	82.7	170	-134.8	0	0	0	0	116.9	V142 V191	V142-V193 HydrophobicContact CB-CB 3.79Å; V142-V193 HydrophobicContact CB-CG1 3.27Å; V142-V193 HydrophobicContact CG1-CB 4.36Å; V142-V193 HydrophobicContact CG1-CG1 3.43Å; V142-V193 VanDerWaalsContact CG1-CG1 3.43Å; V142-V193 HydrophobicContact CG2-CB 4.3Å; V142-V193 HydrophobicContact CG2-CG1 3.61Å; V191-V193 PolarHBondContact O-N 2.78Å
194	S	32.5	Very low	64.5	Low	49 Å²	49	58.1 Å²	58.1	34%	0.343	31%	0.311	S	S	.	.			trans	-174.8	150	138.9	66.4	0	0	0	0	115.4	H139 L196	H139-S194 WeakPolarHBondContact O-CB 3.37Å; H139-S194 PolarHBondContact O-OG 3.2Å; S194-L196 PolarHBondContact O-N 3.24Å
195	M	48.9	Very low	65.1	Low	109 Å²	109	57.5 Å²	57.5	54%	0.537	31%	0.308	S	S	.	.			trans	-66	110.3	-159.6	-88.8	-179.1	158.7	0	0	115.8	H139 K200	H139-M195 HydrophobicContact CB-CB 3.95Å; H139-M195 WeakPolarHBondContact CB-O 3.35Å; H139-M195 VanDerWaalsContact CG-O 3.32Å; H139-M195 WeakPolarHBondContact ND1-CB 3.37Å; M195-K200 HydrophobicContact SD-CD 4.4Å
196	L	66.5	Low	65.8	Low	9 Å²	9	57.6 Å²	57.6	5%	0.047	31%	0.309	C	S	.	.			trans	-83.1	133.2	179.7	-169.3	66.4	0	0	0	113.1	P183 Y184 F185 L186 S194 C198 R199 K200 I241	P183-L196 WeakPolarHBondContact O-CD1 3.47Å; Y184-L196 WeakPolarHBondContact O-CD1 3.41Å; F185-L196 VanDerWaalsContact C-CD1 3.44Å; F185-L196 WeakPolarHBondContact O-CD1 3.19Å; F185-L196 WeakPolarHBondContact O-CD2 3.47Å; F185-L196 VanDerWaalsContact O-CG 3.25Å; F185-L196 WeakPolarHBondContact O-CG 3.31Å; L186-L196 HydrophobicContact CD2-CD2 3.54Å; S194-L196 PolarHBondContact O-N 3.24Å; L196-C198 PolarHBondContact O-N 3.43Å; L196-R199 HydrophobicContact CB-CB 3.87Å; L196-R199 HydrophobicContact CB-CG 3.88Å; L196-R199 HydrophobicContact CD2-CB 4.45Å; L196-R199 HydrophobicContact CD2-CG 3.68Å; L196-R199 HydrophobicContact CG-CG 4.28Å; L196-R199 WeakPolarHBondContact O-CB 3.38Å; L196-R199 PolarHBondContact O-N 2.87Å; L196-K200 WeakPolarHBondContact O-CB 3.35Å; L196-K200 PolarHBondContact O-N 3.28Å; L196-I241 HydrophobicContact CD2-CG2 3.85Å
197	R	79.8	Confident	67	Low	4 Å²	4	59.4 Å²	59.4	2%	0.015	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-46.6	-177.6	-65.9	-61.2	-58.2	-73.7	1.2	112.7	E157 D161 Y184 R199 K200 S201 F204	E157-R197 IonicContact OE2-CZ 3.02Å; E157-R197 VanDerWaalsContact OE2-CZ 3.29Å; E157-R197 IonicContact OE2-NE 3.64Å; E157-R197 PolarHBondContact OE2-NE 2.83Å; E157-R197 IonicContact OE2-NH2 3.77Å; E157-R197 PolarHBondContact OE2-NH2 2.79Å; E157-R197 VanDerWaalsContact OE2-NH2 3.11Å; D161-R197 VanDerWaalsContact CG-NH2 3.27Å; D161-R197 IonicContact OD1-CZ 3.72Å; D161-R197 VanDerWaalsContact OD1-CZ 3.24Å; D161-R197 IonicContact OD1-NH1 2.71Å; D161-R197 PolarHBondContact OD1-NH1 3.37Å; D161-R197 IonicContact OD1-NH2 2.64Å; D161-R197 PolarHBondContact OD1-NH2 3.03Å; D161-R197 IonicContact OD2-CZ 3.8Å; D161-R197 IonicContact OD2-NH1 2.8Å; D161-R197 IonicContact OD2-NH2 3.26Å; D161-R197 PolarHBondContact OD2-NH2 3.19Å; Y184-R197 HydrophobicContact CD2-CG 4.09Å; Y184-R197 HydrophobicContact CE1-CG 4.42Å; Y184-R197 HydrophobicContact CE2-CG 3.43Å; Y184-R197 VanDerWaalsContact CE2-CG 3.43Å; Y184-R197 PolarHBondContact OH-NH1 2.94Å; R197-R199 VanDerWaalsContact C-N 3.31Å; R197-R199 PolarHBondContact O-N 2.92Å; R197-K200 PolarHBondContact O-N 2.94Å; R197-S201 PolarHBondContact O-N 2.87Å; R197-F204 HydrophobicContact CB-CD1 3.54Å; R197-F204 HydrophobicContact CB-CD2 4.31Å; R197-F204 HydrophobicContact CB-CE1 3.45Å; R197-F204 VanDerWaalsContact CB-CE1 3.45Å; R197-F204 HydrophobicContact CB-CE2 4.23Å; R197-F204 HydrophobicContact CB-CG 3.99Å; R197-F204 HydrophobicContact CB-CZ 3.82Å; R197-F204 HydrophobicContact CG-CE1 4.36Å; R197-F204 HydrophobicContact CG-CE2 4.48Å; R197-F204 HydrophobicContact CG-CZ 4.26Å
198	C	83.6	Confident	68.7	Low	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.3	-27.9	174.9	-70.3	0	0	0	0	112.8	F185 L196 S205 R340	F185-C198 WeakPolarHBondContact O-CB 3.43Å; L196-C198 PolarHBondContact O-N 3.43Å; C198-S205 WeakPolarHBondContact CA-OG 3.49Å; C198-S205 PolarHBondContact O-OG 3.09Å; C198-R340 PolarHBondContact O-NH1 3Å; C198-R340 PolarHBondContact O-NH2 3.48Å
199	R	77.8	Confident	70.8	Confident	93 Å²	93	53 Å²	53	35%	0.351	28%	0.28	S	S	.	.	H	α-helix	trans	-71.5	-44.2	172.9	-76.8	176.8	175.9	159.6	-0.3	111.7	L196 R197 I241 P243 R340	L196-R199 HydrophobicContact CB-CB 3.87Å; L196-R199 HydrophobicContact CB-CG 3.88Å; L196-R199 HydrophobicContact CD2-CB 4.45Å; L196-R199 HydrophobicContact CD2-CG 3.68Å; L196-R199 HydrophobicContact CG-CG 4.28Å; L196-R199 WeakPolarHBondContact O-CB 3.38Å; L196-R199 PolarHBondContact O-N 2.87Å; R197-R199 VanDerWaalsContact C-N 3.31Å; R197-R199 PolarHBondContact O-N 2.92Å; R199-I241 WeakPolarHBondContact CD-O 3.5Å; R199-I241 HydrophobicContact CG-CG2 3.5Å; R199-I241 WeakPolarHBondContact CG-O 3.3Å; R199-I241 PolarHBondContact NE-O 3.33Å; R199-P243 HydrophobicContact CB-CG 4.31Å; R199-R340 PolarHBondContact O-NH1 3.14Å
200	K	77.1	Confident	73	Confident	108 Å²	108	45.4 Å²	45.4	47%	0.47	24%	0.244	S	C	.	.	H	α-helix	trans	-71	-42.3	-173.6	-174.9	-179.7	174.1	-173.7	0	112.1	E157 M195 L196 R197	E157-K200 IonicContact OE1-NZ 2.76Å; E157-K200 PolarHBondContact OE1-NZ 3.15Å; E157-K200 IonicContact OE2-NZ 2.65Å; M195-K200 HydrophobicContact SD-CD 4.4Å; L196-K200 WeakPolarHBondContact O-CB 3.35Å; L196-K200 PolarHBondContact O-N 3.28Å; R197-K200 PolarHBondContact O-N 2.94Å
201	S	84.5	Confident	75.5	Confident	34 Å²	34	39.7 Å²	39.7	24%	0.238	21%	0.214	C	C	.	.			trans	-120	119.9	-170.9	176.3	0	0	0	0	112.3	R197 E203 F204 S205	R197-S201 PolarHBondContact O-N 2.87Å; S201-E203 VanDerWaalsContact C-N 3.27Å; S201-E203 PolarHBondContact OG-N 2.81Å; S201-F204 PolarHBondContact OG-N 3.06Å; S201-S205 WeakPolarHBondContact O-CB 3.41Å; S201-S205 PolarHBondContact O-N 3.43Å; S201-S205 VanDerWaalsContact O-N 3.12Å; S201-S205 PolarHBondContact O-OG 3.33Å
202	V	88	Confident	78.1	Confident	29 Å²	29	34.8 Å²	34.8	18%	0.176	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-42.9	169.2	169	0	0	0	0	109.9	S205 L206 R340 L341 W387	V202-S205 WeakPolarHBondContact O-CB 3.46Å; V202-S205 PolarHBondContact O-N 3.17Å; V202-L206 HydrophobicContact CG1-CD1 4.05Å; V202-L206 PolarHBondContact O-N 3.06Å; V202-R340 HydrophobicContact CG2-CB 4.15Å; V202-R340 HydrophobicContact CG2-CG 4.03Å; V202-L341 HydrophobicContact CB-CD2 4.14Å; V202-L341 HydrophobicContact CG1-CD2 3.71Å; V202-L341 HydrophobicContact CG2-CD2 4.23Å; V202-W387 HydrophobicContact CB-CH2 3.84Å; V202-W387 HydrophobicContact CB-CZ2 4.17Å; V202-W387 HydrophobicContact CG1-CH2 3.5Å; V202-W387 VanDerWaalsContact CG1-CH2 3.5Å; V202-W387 HydrophobicContact CG1-CZ2 3.85Å
203	E	89.7	Confident	80.9	Confident	14 Å²	14	32 Å²	32	7%	0.065	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-48.7	-179	-170.3	-172.4	119.2	0	0	112.2	S201 S205 L206 K207 W387 S392 K429	S201-E203 VanDerWaalsContact C-N 3.27Å; S201-E203 PolarHBondContact OG-N 2.81Å; E203-S205 PolarHBondContact O-N 3.47Å; E203-L206 PolarHBondContact O-N 3.24Å; E203-K207 HydrophobicContact CG-CD 4.16Å; E203-K207 HydrophobicContact CG-CG 4.47Å; E203-K207 WeakPolarHBondContact O-CB 3.38Å; E203-K207 WeakPolarHBondContact O-CG 3.4Å; E203-K207 PolarHBondContact O-N 3.01Å; E203-K207 WeakPolarHBondContact OE1-CE 3.45Å; E203-K207 IonicContact OE1-NZ 2.86Å; E203-K207 PolarHBondContact OE1-NZ 3.2Å; E203-W387 HydrophobicContact CB-CZ2 4.04Å; E203-W387 PolarHBondContact OE2-NE1 2.97Å; E203-S392 WeakPolarHBondContact OE1-CB 3.25Å; E203-S392 PolarHBondContact OE1-OG 3.4Å; E203-S392 PolarHBondContact OE2-OG 3.3Å; E203-K429 IonicContact OE2-NZ 2.69Å; E203-K429 PolarHBondContact OE2-NZ 3.12Å
204	F	90.5	Very high	83.7	Confident	3 Å²	3	28 Å²	28	1%	0.013	14%	0.138	C	C	.	.	H	α-helix	trans	-59.7	-38.5	177.4	-175.2	-87.4	0	0	0	110.9	D161 L164 Y184 F185 R197 S201 T208	D161-F204 WeakPolarHBondContact OD1-CD2 3.07Å; D161-F204 WeakPolarHBondContact OD1-CE2 3.09Å; L164-F204 HydrophobicContact CD1-CE2 3.82Å; L164-F204 HydrophobicContact CD1-CZ 3.77Å; L164-F204 HydrophobicContact CD2-CD2 4.45Å; L164-F204 HydrophobicContact CD2-CE2 4.25Å; Y184-F204 HydrophobicContact CE1-CE2 4.44Å; Y184-F204 AromaticContact CE1-CZ 3.79Å; Y184-F204 HydrophobicContact CE1-CZ 3.79Å; F185-F204 AromaticContact CD1-CE1 3.95Å; F185-F204 HydrophobicContact CD1-CE1 3.95Å; F185-F204 HydrophobicContact CD1-CZ 4.16Å; F185-F204 HydrophobicContact CE1-CE1 4.19Å; F185-F204 AromaticContact CE1-CZ 4Å; F185-F204 HydrophobicContact CE1-CZ 4Å; R197-F204 HydrophobicContact CB-CD1 3.54Å; R197-F204 HydrophobicContact CB-CD2 4.31Å; R197-F204 HydrophobicContact CB-CE1 3.45Å; R197-F204 VanDerWaalsContact CB-CE1 3.45Å; R197-F204 HydrophobicContact CB-CE2 4.23Å; R197-F204 HydrophobicContact CB-CG 3.99Å; R197-F204 HydrophobicContact CB-CZ 3.82Å; R197-F204 HydrophobicContact CG-CE1 4.36Å; R197-F204 HydrophobicContact CG-CE2 4.48Å; R197-F204 HydrophobicContact CG-CZ 4.26Å; S201-F204 PolarHBondContact OG-N 3.06Å; F204-T208 WeakPolarHBondContact CE1-OG1 3.27Å; F204-T208 VanDerWaalsContact O-CB 3.26Å; F204-T208 WeakPolarHBondContact O-CB 3.36Å; F204-T208 PolarHBondContact O-N 3.13Å; F204-T208 PolarHBondContact O-OG1 3.47Å
205	S	91.8	Very high	86.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-49.8	175.4	-58.5	0	0	0	0	112	C198 S201 V202 E203 T208 A209 R340	C198-S205 WeakPolarHBondContact CA-OG 3.49Å; C198-S205 PolarHBondContact O-OG 3.09Å; S201-S205 WeakPolarHBondContact O-CB 3.41Å; S201-S205 PolarHBondContact O-N 3.43Å; S201-S205 VanDerWaalsContact O-N 3.12Å; S201-S205 PolarHBondContact O-OG 3.33Å; V202-S205 WeakPolarHBondContact O-CB 3.46Å; V202-S205 PolarHBondContact O-N 3.17Å; E203-S205 PolarHBondContact O-N 3.47Å; S205-T208 PolarHBondContact O-N 2.94Å; S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.16Å; S205-R340 PolarHBondContact OG-NH2 3.48Å
206	L	93.4	Very high	88.1	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-67.3	-45.4	-179.6	-71.3	174.6	0	0	0	111.8	V202 E203 T208 A209 W210 L341 E344 A345	V202-L206 HydrophobicContact CG1-CD1 4.05Å; V202-L206 PolarHBondContact O-N 3.06Å; E203-L206 PolarHBondContact O-N 3.24Å; L206-T208 VanDerWaalsContact C-N 3.31Å; L206-T208 PolarHBondContact O-N 3.18Å; L206-A209 PolarHBondContact O-N 2.95Å; L206-A209 VanDerWaalsContact O-N 3.14Å; L206-W210 HydrophobicContact CB-CD2 4.39Å; L206-W210 HydrophobicContact CB-CE3 4.42Å; L206-W210 HydrophobicContact CB-CH2 3.89Å; L206-W210 HydrophobicContact CB-CZ2 3.88Å; L206-W210 HydrophobicContact CB-CZ3 4.18Å; L206-W210 HydrophobicContact CD1-CH2 4.36Å; L206-W210 HydrophobicContact CD1-CZ2 4.28Å; L206-W210 HydrophobicContact CD2-CZ2 4.46Å; L206-W210 HydrophobicContact CG-CZ2 4.44Å; L206-W210 WeakPolarHBondContact O-CB 3.45Å; L206-W210 VanDerWaalsContact O-CD2 3.31Å; L206-W210 PolarHBondContact O-N 2.97Å; L206-L341 HydrophobicContact CD2-CB 4.26Å; L206-L341 HydrophobicContact CG-CD2 4.32Å; L206-E344 HydrophobicContact CD1-CB 3.69Å; L206-E344 HydrophobicContact CD1-CG 3.42Å; L206-E344 VanDerWaalsContact CD1-CG 3.42Å; L206-A345 HydrophobicContact CD2-CB 4.01Å
207	K	94.8	Very high	88.6	Confident	45 Å²	45	21.5 Å²	21.5	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-56.8	-44.4	174.3	-75.1	-179.7	172.6	172.3	0	111.8	L164 E203 W210 L211 P389 S392 L580	L164-K207 HydrophobicContact CD2-CB 3.92Å; E203-K207 HydrophobicContact CG-CD 4.16Å; E203-K207 HydrophobicContact CG-CG 4.47Å; E203-K207 WeakPolarHBondContact O-CB 3.38Å; E203-K207 WeakPolarHBondContact O-CG 3.4Å; E203-K207 PolarHBondContact O-N 3.01Å; E203-K207 WeakPolarHBondContact OE1-CE 3.45Å; E203-K207 IonicContact OE1-NZ 2.86Å; E203-K207 PolarHBondContact OE1-NZ 3.2Å; K207-W210 HydrophobicContact CG-CE3 4.41Å; K207-W210 HydrophobicContact CG-CZ3 4.43Å; K207-W210 PolarHBondContact O-N 2.71Å; K207-L211 WeakPolarHBondContact O-CB 3.24Å; K207-L211 VanDerWaalsContact O-CG 3.28Å; K207-L211 WeakPolarHBondContact O-CG 3.44Å; K207-L211 PolarHBondContact O-N 3.22Å; K207-P389 VanDerWaalsContact CE-O 3.3Å; K207-P389 WeakPolarHBondContact CE-O 3.05Å; K207-P389 PolarHBondContact NZ-O 3.2Å; K207-S392 PolarHBondContact NZ-OG 3Å; K207-L580 HydrophobicContact CG-CD1 4.23Å
208	T	94.9	Very high	88.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-45.8	175.7	-59.1	0	0	0	0	111.2	V168 F185 F204 S205 L206 L211 L212 I236	V168-T208 HydrophobicContact CG2-CG2 4.32Å; F185-T208 HydrophobicContact CD1-CG2 3.9Å; F185-T208 HydrophobicContact CE1-CG2 3.87Å; F204-T208 WeakPolarHBondContact CE1-OG1 3.27Å; F204-T208 VanDerWaalsContact O-CB 3.26Å; F204-T208 WeakPolarHBondContact O-CB 3.36Å; F204-T208 PolarHBondContact O-N 3.13Å; F204-T208 PolarHBondContact O-OG1 3.47Å; S205-T208 PolarHBondContact O-N 2.94Å; L206-T208 VanDerWaalsContact C-N 3.31Å; L206-T208 PolarHBondContact O-N 3.18Å; T208-L211 PolarHBondContact O-N 3.41Å; T208-L212 HydrophobicContact CG2-CD1 3.93Å; T208-L212 HydrophobicContact CG2-CG 4.42Å; T208-L212 WeakPolarHBondContact O-CB 3.47Å; T208-L212 VanDerWaalsContact O-CG 3.23Å; T208-L212 WeakPolarHBondContact O-CG 3.26Å; T208-L212 PolarHBondContact O-N 3.45Å; T208-I236 HydrophobicContact CG2-CD1 3.77Å
209	A	94.2	Very high	87.3	Confident	2 Å²	2	27.9 Å²	27.9	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-64.1	-41.8	179.1	0	0	0	0	0	112.9	S205 L206 D213 I236 L237	S205-A209 WeakPolarHBondContact O-CB 3.44Å; S205-A209 PolarHBondContact O-N 3.16Å; L206-A209 PolarHBondContact O-N 2.95Å; L206-A209 VanDerWaalsContact O-N 3.14Å; A209-D213 PolarHBondContact O-N 3.24Å; A209-D213 VanDerWaalsContact O-N 3.12Å; A209-I236 HydrophobicContact CB-CG2 4.09Å; A209-L237 HydrophobicContact CB-CD2 3.92Å; A209-L237 HydrophobicContact CB-CG 4.36Å
210	W	96.1	Very high	86.2	Confident	32 Å²	32	26.9 Å²	26.9	12%	0.121	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-44.5	175.7	-65.9	-29.6	0	0	0	111.9	L206 K207 D213 A214 V348 P389 L580 I582	L206-W210 HydrophobicContact CB-CD2 4.39Å; L206-W210 HydrophobicContact CB-CE3 4.42Å; L206-W210 HydrophobicContact CB-CH2 3.89Å; L206-W210 HydrophobicContact CB-CZ2 3.88Å; L206-W210 HydrophobicContact CB-CZ3 4.18Å; L206-W210 HydrophobicContact CD1-CH2 4.36Å; L206-W210 HydrophobicContact CD1-CZ2 4.28Å; L206-W210 HydrophobicContact CD2-CZ2 4.46Å; L206-W210 HydrophobicContact CG-CZ2 4.44Å; L206-W210 WeakPolarHBondContact O-CB 3.45Å; L206-W210 VanDerWaalsContact O-CD2 3.31Å; L206-W210 PolarHBondContact O-N 2.97Å; K207-W210 HydrophobicContact CG-CE3 4.41Å; K207-W210 HydrophobicContact CG-CZ3 4.43Å; K207-W210 PolarHBondContact O-N 2.71Å; W210-D213 PolarHBondContact O-N 3.02Å; W210-A214 VanDerWaalsContact O-CB 3.27Å; W210-A214 WeakPolarHBondContact O-CB 3.48Å; W210-A214 PolarHBondContact O-N 2.92Å; W210-V348 HydrophobicContact CH2-CB 4.34Å; W210-V348 HydrophobicContact CH2-CG1 4.15Å; W210-V348 HydrophobicContact CH2-CG2 3.92Å; W210-V348 HydrophobicContact CZ2-CB 4.05Å; W210-V348 HydrophobicContact CZ2-CG1 3.86Å; W210-V348 HydrophobicContact CZ2-CG2 4.11Å; W210-P389 HydrophobicContact CH2-CB 4.45Å; W210-P389 HydrophobicContact CH2-CG 3.89Å; W210-P389 HydrophobicContact CZ3-CB 4.12Å; W210-P389 HydrophobicContact CZ3-CG 4.05Å; W210-L580 HydrophobicContact CE3-CD1 4.41Å; W210-L580 HydrophobicContact CZ3-CD1 4.39Å; W210-L580 HydrophobicContact CZ3-CD2 4.19Å; W210-I582 WeakPolarHBondContact CB-O 3.45Å; W210-I582 HydrophobicContact CG-CG2 4.45Å
211	L	95.7	Very high	85	Confident	11 Å²	11	33.4 Å²	33.4	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-39.8	176.8	-72.2	170	0	0	0	112.4	L164 P165 V168 K207 T208 D213 A214 F215 L552 V581	L164-L211 HydrophobicContact CB-CD1 4.45Å; L164-L211 HydrophobicContact CD2-CD1 3.9Å; L164-L211 HydrophobicContact CG-CD1 3.72Å; P165-L211 HydrophobicContact CG-CD1 4.33Å; V168-L211 HydrophobicContact CB-CB 4.28Å; V168-L211 HydrophobicContact CG1-CB 3.98Å; V168-L211 HydrophobicContact CG2-CB 4.18Å; V168-L211 HydrophobicContact CG2-CD1 4.37Å; K207-L211 WeakPolarHBondContact O-CB 3.24Å; K207-L211 VanDerWaalsContact O-CG 3.28Å; K207-L211 WeakPolarHBondContact O-CG 3.44Å; K207-L211 PolarHBondContact O-N 3.22Å; T208-L211 PolarHBondContact O-N 3.41Å; L211-D213 VanDerWaalsContact C-N 3.28Å; L211-D213 PolarHBondContact O-N 3.03Å; L211-A214 PolarHBondContact O-N 2.68Å; L211-F215 HydrophobicContact CB-CE2 4.47Å; L211-F215 HydrophobicContact CD2-CE2 4.03Å; L211-F215 HydrophobicContact CD2-CZ 4.02Å; L211-F215 WeakPolarHBondContact O-CB 3.33Å; L211-F215 PolarHBondContact O-N 2.91Å; L211-L552 HydrophobicContact CD2-CD2 4.14Å; L211-V581 HydrophobicContact CD2-CB 4.35Å
212	L	93.5	Very high	83.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-44.7	174.1	-77.3	165.4	0	0	0	110.8	V168 Y171 I172 T208 G216 V217 L232 K233 I236	V168-L212 HydrophobicContact CG1-CD2 3.83Å; V168-L212 HydrophobicContact CG1-CG 3.93Å; Y171-L212 HydrophobicContact CD1-CD2 4.47Å; I172-L212 HydrophobicContact CD1-CD2 4.07Å; I172-L212 HydrophobicContact CG1-CD2 3.85Å; T208-L212 HydrophobicContact CG2-CD1 3.93Å; T208-L212 HydrophobicContact CG2-CG 4.42Å; T208-L212 WeakPolarHBondContact O-CB 3.47Å; T208-L212 VanDerWaalsContact O-CG 3.23Å; T208-L212 WeakPolarHBondContact O-CG 3.26Å; T208-L212 PolarHBondContact O-N 3.45Å; L212-G216 PolarHBondContact O-N 2.87Å; L212-V217 HydrophobicContact CB-CG1 4.29Å; L212-V217 WeakPolarHBondContact O-CB 3.47Å; L212-V217 WeakPolarHBondContact O-CG1 3.28Å; L212-V217 PolarHBondContact O-N 3.27Å; L212-V217 VanDerWaalsContact O-N 3.13Å; L212-L232 HydrophobicContact CD1-CB 4.36Å; L212-L232 HydrophobicContact CD1-CD2 3.96Å; L212-L232 HydrophobicContact CD1-CG 3.85Å; L212-L232 HydrophobicContact CD2-CD2 4.48Å; L212-K233 HydrophobicContact CB-CB 4.45Å; L212-K233 HydrophobicContact CD1-CB 4Å; L212-I236 HydrophobicContact CD1-CD1 4.35Å
213	D	91.4	Very high	82.1	Confident	44 Å²	44	36.8 Å²	36.8	24%	0.235	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-50.6	177.2	-161.9	51.9	0	0	0	112.3	A209 W210 L211 F215 G216 K233	A209-D213 PolarHBondContact O-N 3.24Å; A209-D213 VanDerWaalsContact O-N 3.12Å; W210-D213 PolarHBondContact O-N 3.02Å; L211-D213 VanDerWaalsContact C-N 3.28Å; L211-D213 PolarHBondContact O-N 3.03Å; D213-F215 VanDerWaalsContact C-N 3.32Å; D213-F215 PolarHBondContact O-N 2.8Å; D213-G216 PolarHBondContact O-N 2.71Å; D213-K233 VanDerWaalsContact CG-NZ 3.32Å; D213-K233 IonicContact OD1-NZ 3.92Å; D213-K233 PolarHBondContact OD1-NZ 3.32Å
214	A	93.4	Very high	80.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-39.1	-179.1	0	0	0	0	0	112.3	W210 L211 G216 R549 V581 R584	W210-A214 VanDerWaalsContact O-CB 3.27Å; W210-A214 WeakPolarHBondContact O-CB 3.48Å; W210-A214 PolarHBondContact O-N 2.92Å; L211-A214 PolarHBondContact O-N 2.68Å; A214-G216 PolarHBondContact O-N 3.34Å; A214-R549 HydrophobicContact CB-CG 4.42Å; A214-R549 WeakPolarHBondContact O-CD 3.45Å; A214-R549 PolarHBondContact O-NH1 2.88Å; A214-V581 HydrophobicContact CB-CG1 3.44Å; A214-V581 VanDerWaalsContact CB-CG1 3.44Å; A214-R584 WeakPolarHBondContact O-CG 3.46Å
215	F	91.8	Very high	79.1	Confident	21 Å²	21	54.6 Å²	54.6	9%	0.092	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	6.6	176.3	-63	-28.4	0	0	0	114.5	P165 V168 I172 L211 D213 R549 M750	P165-F215 HydrophobicContact CB-CE2 4.09Å; P165-F215 HydrophobicContact CB-CZ 4.09Å; P165-F215 WeakPolarHBondContact O-CE2 3.18Å; V168-F215 HydrophobicContact CB-CD2 4.49Å; V168-F215 HydrophobicContact CG1-CD2 4.09Å; I172-F215 HydrophobicContact CD1-CB 3.69Å; L211-F215 HydrophobicContact CB-CE2 4.47Å; L211-F215 HydrophobicContact CD2-CE2 4.03Å; L211-F215 HydrophobicContact CD2-CZ 4.02Å; L211-F215 WeakPolarHBondContact O-CB 3.33Å; L211-F215 PolarHBondContact O-N 2.91Å; D213-F215 VanDerWaalsContact C-N 3.32Å; D213-F215 PolarHBondContact O-N 2.8Å; F215-R549 HydrophobicContact CD1-CG 4.3Å; F215-R549 HydrophobicContact CE1-CB 4.3Å; F215-R549 HydrophobicContact CE1-CG 3.82Å; F215-M750 HydrophobicContact CE1-CE 3.66Å; F215-M750 HydrophobicContact CE2-CE 4.06Å; F215-M750 HydrophobicContact CE2-SD 4.46Å; F215-M750 HydrophobicContact CZ-CE 3.31Å; F215-M750 HydrophobicContact CZ-SD 4.24Å
216	G	82.9	Confident	78	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	40.1	164.9	0	0	0	0	0	115.6	L212 D213 A214 E218 R226	L212-G216 PolarHBondContact O-N 2.87Å; D213-G216 PolarHBondContact O-N 2.71Å; A214-G216 PolarHBondContact O-N 3.34Å; G216-E218 PolarHBondContact O-N 3.01Å; G216-R226 PolarHBondContact O-NH1 3.19Å
217	V	75.8	Confident	77.4	Confident	8 Å²	8	59.1 Å²	59.1	5%	0.048	29%	0.293	C	S	.	.	S	Bend	trans	-61.8	-26.3	169.6	77.7	0	0	0	0	112.5	L212 L230 K233	L212-V217 HydrophobicContact CB-CG1 4.29Å; L212-V217 WeakPolarHBondContact O-CB 3.47Å; L212-V217 WeakPolarHBondContact O-CG1 3.28Å; L212-V217 PolarHBondContact O-N 3.27Å; L212-V217 VanDerWaalsContact O-N 3.13Å; V217-L230 HydrophobicContact CG1-CD1 4.47Å; V217-L230 HydrophobicContact CG2-CB 3.93Å; V217-K233 HydrophobicContact CG1-CD 3.96Å
218	E	70.7	Confident	76.8	Confident	82 Å²	82	58.7 Å²	58.7	38%	0.383	29%	0.292	S	S	.	.	S	Bend	trans	-96	-24.7	-178.5	-59.8	-164.4	166.8	0	0	115	G216 L220 L230 K233	G216-E218 PolarHBondContact O-N 3.01Å; E218-L220 PolarHBondContact O-N 3.41Å; E218-L230 HydrophobicContact CG-CD1 4.18Å; E218-K233 IonicContact OE1-NZ 3.69Å; E218-K233 PolarHBondContact OE1-NZ 2.91Å
219	S	65.7	Low	76.5	Confident	56 Å²	56	58.7 Å²	58.7	39%	0.392	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	10	-165.5	-53.3	0	0	0	0	115.6	R584	S219-R584 PolarHBondContact OG-NH1 3.45Å; S219-R584 PolarHBondContact OG-NH2 2.74Å; S219-R584 VanDerWaalsContact OG-NH2 3.09Å
220	L	55.5	Low	76.2	Confident	73 Å²	73	61.5 Å²	61.5	38%	0.382	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	56.7	177.2	-71.7	164.5	0	0	0	110.3	E218 G222 C223	E218-L220 PolarHBondContact O-N 3.41Å; L220-G222 PolarHBondContact O-N 3.19Å; L220-C223 HydrophobicContact CB-CB 3.99Å; L220-C223 PolarHBondContact O-N 3.44Å
221	R	51	Low	75.7	Confident	245 Å²	245	66.4 Å²	66.4	93%	0.925	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	87.6	166.5	-70.4	-172.1	-171.3	-162.7	3.1	108.9
222	G	52.8	Low	75.4	Confident	80 Å²	80	65.9 Å²	65.9	83%	0.825	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	150.9	-27.2	-174.2	0	0	0	0	0	113.7	L220 K224	L220-G222 PolarHBondContact O-N 3.19Å; G222-K224 PolarHBondContact O-N 2.98Å
223	C	58	Low	75.2	Confident	53 Å²	53	66.7 Å²	66.7	36%	0.358	33%	0.329	S	S	.	.			trans	-88.5	105.2	177.1	-158.6	0	0	0	0	110.4	L220 R225 R226	L220-C223 HydrophobicContact CB-CB 3.99Å; L220-C223 PolarHBondContact O-N 3.44Å; C223-R225 PolarHBondContact O-N 2.74Å; C223-R226 PolarHBondContact O-N 2.71Å
224	K	58.8	Low	75.1	Confident	186 Å²	186	68.5 Å²	68.5	81%	0.809	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-51.1	-26.5	176.2	-69.6	-175.9	179.2	179.1	0	113.2	G222 R226 T227	G222-K224 PolarHBondContact O-N 2.98Å; K224-R226 PolarHBondContact O-N 2.92Å; K224-T227 WeakPolarHBondContact O-CG2 3.14Å; K224-T227 PolarHBondContact O-N 3.35Å; K224-T227 PolarHBondContact O-OG1 3.39Å; K224-T227 VanDerWaalsContact O-OG1 3.09Å
225	R	59.1	Low	74.8	Confident	206 Å²	206	71.1 Å²	71.1	78%	0.777	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-62.3	-18.3	-175.1	-67.4	-172.3	177.6	172.5	-0.4	115.1	C223 H228	C223-R225 PolarHBondContact O-N 2.74Å; R225-H228 PolarHBondContact O-CE1 2.92Å; R225-H228 PolarHBondContact O-ND1 3.12Å
226	R	69.4	Low	74.7	Confident	24 Å²	24	70.1 Å²	70.1	9%	0.091	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-114.3	10.3	-175.2	-63	-172.3	175	-177.2	-1.6	114.8	I172 N173 G216 C223 K224 H228 G229 L230 G753	I172-R226 HydrophobicContact CG2-CG 3.9Å; N173-R226 PolarHBondContact OD1-NH2 3.19Å; G216-R226 PolarHBondContact O-NH1 3.19Å; C223-R226 PolarHBondContact O-N 2.71Å; K224-R226 PolarHBondContact O-N 2.92Å; R226-H228 VanDerWaalsContact C-N 3.32Å; R226-H228 PolarHBondContact O-N 2.74Å; R226-G229 PolarHBondContact O-N 3.19Å; R226-L230 PolarHBondContact O-N 3.42Å; R226-G753 PolarHBondContact NH2-O 2.92Å
227	T	79.1	Confident	74.9	Confident	72 Å²	72	74.3 Å²	74.3	44%	0.442	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-31.4	-173.8	55	0	0	0	0	113.3	K224 L230 K231	K224-T227 WeakPolarHBondContact O-CG2 3.14Å; K224-T227 PolarHBondContact O-N 3.35Å; K224-T227 PolarHBondContact O-OG1 3.39Å; K224-T227 VanDerWaalsContact O-OG1 3.09Å; T227-L230 PolarHBondContact O-N 3.01Å; T227-K231 VanDerWaalsContact O-CG 3.3Å; T227-K231 WeakPolarHBondContact O-CG 3.36Å; T227-K231 PolarHBondContact O-N 3.3Å
228	H	84.1	Confident	75.3	Confident	37 Å²	37	76.7 Å²	76.7	17%	0.171	39%	0.387	C	S	.	.	H	α-helix	trans	-72.3	-34.4	178.4	59.4	-68.4	0	0	0	113	Y171 R225 R226 L230 K231 L232	Y171-H228 AromaticContact CE1-CD2 3.68Å; Y171-H228 AromaticContact CZ-CD2 3.99Å; Y171-H228 PolarHBondContact O-CD2 3.29Å; Y171-H228 VanDerWaalsContact O-CD2 3.27Å; Y171-H228 PolarHBondContact O-NE2 2.87Å; R225-H228 PolarHBondContact O-CE1 2.92Å; R225-H228 PolarHBondContact O-ND1 3.12Å; R226-H228 VanDerWaalsContact C-N 3.32Å; R226-H228 PolarHBondContact O-N 2.74Å; H228-L230 VanDerWaalsContact C-N 3.34Å; H228-K231 PolarHBondContact O-N 2.69Å; H228-L232 WeakPolarHBondContact O-CB 3.49Å; H228-L232 PolarHBondContact O-N 3.31Å
229	G	87.4	Confident	75.7	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-57	-47.5	168	0	0	0	0	0	111.7	R226 K231 L232 K233	R226-G229 PolarHBondContact O-N 3.19Å; G229-K231 VanDerWaalsContact C-N 3.35Å; G229-K231 PolarHBondContact O-N 3.18Å; G229-L232 WeakPolarHBondContact O-CB 3.47Å; G229-L232 PolarHBondContact O-N 2.98Å; G229-K233 PolarHBondContact O-N 2.77Å
230	L	87.5	Confident	76	Confident	60 Å²	60	78.5 Å²	78.5	31%	0.314	39%	0.389	S	S	.	.	H	α-helix	trans	-67.6	-39.4	-177.7	-175.9	60.2	0	0	0	110.9	V217 E218 R226 T227 H228 K233 N234	V217-L230 HydrophobicContact CG1-CD1 4.47Å; V217-L230 HydrophobicContact CG2-CB 3.93Å; E218-L230 HydrophobicContact CG-CD1 4.18Å; R226-L230 PolarHBondContact O-N 3.42Å; T227-L230 PolarHBondContact O-N 3.01Å; H228-L230 VanDerWaalsContact C-N 3.34Å; L230-K233 PolarHBondContact O-N 3.5Å; L230-N234 WeakPolarHBondContact O-CB 3.32Å; L230-N234 VanDerWaalsContact O-CG 3.23Å; L230-N234 PolarHBondContact O-N 3.45Å; L230-N234 PolarHBondContact O-ND2 3.43Å
231	K	87.2	Confident	76.5	Confident	135 Å²	135	75.3 Å²	75.3	59%	0.587	37%	0.373	S	S	*	.	H	α-helix	trans	-59	-46.5	172.2	-73	173.6	-177.8	-177.9	0	111.4	T227 H228 G229 N234 L235	T227-K231 VanDerWaalsContact O-CG 3.3Å; T227-K231 WeakPolarHBondContact O-CG 3.36Å; T227-K231 PolarHBondContact O-N 3.3Å; H228-K231 PolarHBondContact O-N 2.69Å; G229-K231 VanDerWaalsContact C-N 3.35Å; G229-K231 PolarHBondContact O-N 3.18Å; K231-N234 PolarHBondContact O-N 3.41Å; K231-L235 WeakPolarHBondContact O-CB 3.3Å; K231-L235 VanDerWaalsContact O-CG 3.23Å; K231-L235 WeakPolarHBondContact O-CG 3.39Å; K231-L235 PolarHBondContact O-N 3.09Å
232	L	88.7	Confident	77.1	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-58.3	-49.7	176	173.2	59.4	0	0	0	111.2	Y171 F185 L186 L212 H228 G229 N234 L235 I236	Y171-L232 HydrophobicContact CD1-CD2 3.81Å; Y171-L232 HydrophobicContact CE1-CB 3.89Å; Y171-L232 HydrophobicContact CE1-CD2 3.38Å; Y171-L232 HydrophobicContact CE1-CG 4.26Å; Y171-L232 HydrophobicContact CE2-CD2 4.21Å; Y171-L232 HydrophobicContact CG-CD2 4.39Å; F185-L232 HydrophobicContact CB-CD1 4.07Å; F185-L232 HydrophobicContact CB-CD2 4.08Å; F185-L232 HydrophobicContact CD2-CD2 4.29Å; F185-L232 HydrophobicContact CG-CD2 4.07Å; L186-L232 HydrophobicContact CB-CD1 4.32Å; L186-L232 HydrophobicContact CD1-CD1 3.2Å; L186-L232 HydrophobicContact CG-CD1 3.46Å; L186-L232 VanDerWaalsContact CG-CD1 3.46Å; L212-L232 HydrophobicContact CD1-CB 4.36Å; L212-L232 HydrophobicContact CD1-CD2 3.96Å; L212-L232 HydrophobicContact CD1-CG 3.85Å; L212-L232 HydrophobicContact CD2-CD2 4.48Å; H228-L232 WeakPolarHBondContact O-CB 3.49Å; H228-L232 PolarHBondContact O-N 3.31Å; G229-L232 WeakPolarHBondContact O-CB 3.47Å; G229-L232 PolarHBondContact O-N 2.98Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-N234 PolarHBondContact O-N 3.33Å; L232-L235 PolarHBondContact O-N 3.37Å; L232-I236 HydrophobicContact CD1-CD1 3.83Å; L232-I236 HydrophobicContact CD1-CG1 4.18Å; L232-I236 HydrophobicContact CG-CD1 3.99Å; L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3.43Å; L232-I236 PolarHBondContact O-N 3.39Å
233	K	89.4	Confident	77.4	Confident	17 Å²	17	64.8 Å²	64.8	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-55.2	-49.2	176	-177.1	-175.9	177.1	-173.2	0	111.5	L212 D213 V217 E218 G229 L230 L235 I236 L237	L212-K233 HydrophobicContact CB-CB 4.45Å; L212-K233 HydrophobicContact CD1-CB 4Å; D213-K233 VanDerWaalsContact CG-NZ 3.32Å; D213-K233 IonicContact OD1-NZ 3.92Å; D213-K233 PolarHBondContact OD1-NZ 3.32Å; V217-K233 HydrophobicContact CG1-CD 3.96Å; E218-K233 IonicContact OE1-NZ 3.69Å; E218-K233 PolarHBondContact OE1-NZ 2.91Å; G229-K233 PolarHBondContact O-N 2.77Å; L230-K233 PolarHBondContact O-N 3.5Å; K233-L235 PolarHBondContact O-N 2.79Å; K233-I236 WeakPolarHBondContact O-CB 3.5Å; K233-I236 PolarHBondContact O-N 3.47Å; K233-I236 VanDerWaalsContact O-N 3.17Å; K233-L237 HydrophobicContact CD-CD1 4.42Å; K233-L237 HydrophobicContact CG-CD1 3.87Å; K233-L237 HydrophobicContact CG-CG 4.4Å; K233-L237 WeakPolarHBondContact O-CG 3.35Å; K233-L237 PolarHBondContact O-N 3.2Å
234	N	88.5	Confident	77.3	Confident	83 Å²	83	71.9 Å²	71.9	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-38.7	-178.7	-70.7	-17.3	0	0	0	112.1	L230 K231 L232 I236 S238	L230-N234 WeakPolarHBondContact O-CB 3.32Å; L230-N234 VanDerWaalsContact O-CG 3.23Å; L230-N234 PolarHBondContact O-N 3.45Å; L230-N234 PolarHBondContact O-ND2 3.43Å; K231-N234 PolarHBondContact O-N 3.41Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-N234 PolarHBondContact O-N 3.33Å; N234-I236 VanDerWaalsContact C-N 3.31Å; N234-I236 PolarHBondContact O-N 2.92Å; N234-S238 WeakPolarHBondContact O-CB 3.28Å; N234-S238 PolarHBondContact O-N 3.42Å; N234-S238 PolarHBondContact O-OG 3.44Å
235	L	87.8	Confident	76.9	Confident	54 Å²	54	64.5 Å²	64.5	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-41.6	173.7	-72.3	168.2	0	0	0	110.8	L186 K231 L232 K233 S238 E239 Q240 I241	L186-L235 HydrophobicContact CD1-CB 3.7Å; L186-L235 HydrophobicContact CD1-CD1 3.56Å; L186-L235 HydrophobicContact CD1-CG 4.26Å; K231-L235 WeakPolarHBondContact O-CB 3.3Å; K231-L235 VanDerWaalsContact O-CG 3.23Å; K231-L235 WeakPolarHBondContact O-CG 3.39Å; K231-L235 PolarHBondContact O-N 3.09Å; L232-L235 PolarHBondContact O-N 3.37Å; K233-L235 PolarHBondContact O-N 2.79Å; L235-S238 PolarHBondContact O-OG 3.47Å; L235-E239 PolarHBondContact O-N 3.5Å; L235-Q240 HydrophobicContact CD2-CB 4.17Å; L235-I241 HydrophobicContact CB-CD1 3.87Å; L235-I241 HydrophobicContact CB-CG1 3.95Å; L235-I241 VanDerWaalsContact O-CD1 3.25Å; L235-I241 WeakPolarHBondContact O-CD1 3.44Å; L235-I241 WeakPolarHBondContact O-CG1 3.46Å
236	I	88.8	Confident	76.1	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-56.7	177	-66.6	166.6	0	0	0	110.9	T208 A209 L212 L232 K233 N234 S238 E239 I241 L341	T208-I236 HydrophobicContact CG2-CD1 3.77Å; A209-I236 HydrophobicContact CB-CG2 4.09Å; L212-I236 HydrophobicContact CD1-CD1 4.35Å; L232-I236 HydrophobicContact CD1-CD1 3.83Å; L232-I236 HydrophobicContact CD1-CG1 4.18Å; L232-I236 HydrophobicContact CG-CD1 3.99Å; L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3.43Å; L232-I236 PolarHBondContact O-N 3.39Å; K233-I236 WeakPolarHBondContact O-CB 3.5Å; K233-I236 PolarHBondContact O-N 3.47Å; K233-I236 VanDerWaalsContact O-N 3.17Å; N234-I236 VanDerWaalsContact C-N 3.31Å; N234-I236 PolarHBondContact O-N 2.92Å; I236-S238 VanDerWaalsContact C-N 3.35Å; I236-S238 PolarHBondContact O-N 3.37Å; I236-E239 PolarHBondContact O-N 2.94Å; I236-E239 VanDerWaalsContact O-N 3.17Å; I236-I241 VanDerWaalsContact CA-CD1 3.41Å; I236-I241 HydrophobicContact CB-CD1 4.15Å; I236-I241 HydrophobicContact CG1-CD1 3.64Å; I236-I241 VanDerWaalsContact N-CD1 3.31Å; I236-L341 HydrophobicContact CG2-CD1 4.01Å; I236-L341 VanDerWaalsContact O-CD1 3.22Å; I236-L341 WeakPolarHBondContact O-CD1 3.08Å
237	L	87.9	Confident	74.8	Confident	88 Å²	88	64.7 Å²	64.7	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-72.7	-26.1	-173	-62.3	179.8	0	0	0	113.4	A209 K233 E239	A209-L237 HydrophobicContact CB-CD2 3.92Å; A209-L237 HydrophobicContact CB-CG 4.36Å; K233-L237 HydrophobicContact CD-CD1 4.42Å; K233-L237 HydrophobicContact CG-CD1 3.87Å; K233-L237 HydrophobicContact CG-CG 4.4Å; K233-L237 WeakPolarHBondContact O-CG 3.35Å; K233-L237 PolarHBondContact O-N 3.2Å; L237-E239 PolarHBondContact O-N 2.83Å
238	S	84.2	Confident	72.7	Confident	58 Å²	58	63.9 Å²	63.9	41%	0.406	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.4	173.9	63.9	0	0	0	0	113.8	N234 L235 I236 Q240	N234-S238 WeakPolarHBondContact O-CB 3.28Å; N234-S238 PolarHBondContact O-N 3.42Å; N234-S238 PolarHBondContact O-OG 3.44Å; L235-S238 PolarHBondContact O-OG 3.47Å; I236-S238 VanDerWaalsContact C-N 3.35Å; I236-S238 PolarHBondContact O-N 3.37Å; S238-Q240 PolarHBondContact O-N 2.82Å; S238-Q240 WeakPolarHBondContact OG-CG 3.48Å; S238-Q240 PolarHBondContact OG-NE2 3.49Å
239	E	78.5	Confident	70.4	Confident	32 Å²	32	69 Å²	69	15%	0.15	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	17.2	-176.8	-63	-164.1	-163.9	0	0	115.6	L235 I236 L237 I241 R242 P339 R340 L341	L235-E239 PolarHBondContact O-N 3.5Å; I236-E239 PolarHBondContact O-N 2.94Å; I236-E239 VanDerWaalsContact O-N 3.17Å; L237-E239 PolarHBondContact O-N 2.83Å; E239-I241 PolarHBondContact O-N 3.18Å; E239-R242 WeakPolarHBondContact O-CB 3.21Å; E239-R242 PolarHBondContact O-N 3.36Å; E239-P339 VanDerWaalsContact OE1-C 3.25Å; E239-P339 WeakPolarHBondContact OE1-CA 3.44Å; E239-P339 WeakPolarHBondContact OE2-CA 3.31Å; E239-R340 VanDerWaalsContact CD-N 3.26Å; E239-R340 PolarHBondContact OE1-N 3.04Å; E239-R340 WeakPolarHBondContact OE2-CG 3.28Å; E239-R340 PolarHBondContact OE2-N 2.98Å; E239-L341 HydrophobicContact CG-CD1 4.15Å; E239-L341 HydrophobicContact CG-CG 4.12Å; E239-L341 WeakPolarHBondContact OE1-CB 3.3Å; E239-L341 PolarHBondContact OE1-N 3.42Å
240	Q	71.4	Confident	67.9	Low	144 Å²	144	77.2 Å²	77.2	67%	0.673	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.5	175.1	-71.7	179.4	33.5	0	0	113.2	L235 S238	L235-Q240 HydrophobicContact CD2-CB 4.17Å; S238-Q240 PolarHBondContact O-N 2.82Å; S238-Q240 WeakPolarHBondContact OG-CG 3.48Å; S238-Q240 PolarHBondContact OG-NE2 3.49Å
241	I	65.9	Low	65.3	Low	6 Å²	6	81.1 Å²	81.1	3%	0.031	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.8	-177.6	-52.6	168.3	0	0	0	111.6	L186 L196 R199 L235 I236 E239	L186-I241 HydrophobicContact CD1-CD1 3.79Å; L186-I241 HydrophobicContact CD1-CG1 4.2Å; L186-I241 HydrophobicContact CD2-CB 4Å; L186-I241 HydrophobicContact CD2-CD1 3.28Å; L186-I241 HydrophobicContact CD2-CG1 3.5Å; L186-I241 VanDerWaalsContact CD2-CG1 3.5Å; L186-I241 HydrophobicContact CD2-CG2 3.28Å; L186-I241 HydrophobicContact CG-CD1 4.06Å; L196-I241 HydrophobicContact CD2-CG2 3.85Å; R199-I241 WeakPolarHBondContact CD-O 3.5Å; R199-I241 HydrophobicContact CG-CG2 3.5Å; R199-I241 WeakPolarHBondContact CG-O 3.3Å; R199-I241 PolarHBondContact NE-O 3.33Å; L235-I241 HydrophobicContact CB-CD1 3.87Å; L235-I241 HydrophobicContact CB-CG1 3.95Å; L235-I241 VanDerWaalsContact O-CD1 3.25Å; L235-I241 WeakPolarHBondContact O-CD1 3.44Å; L235-I241 WeakPolarHBondContact O-CG1 3.46Å; I236-I241 VanDerWaalsContact CA-CD1 3.41Å; I236-I241 HydrophobicContact CB-CD1 4.15Å; I236-I241 HydrophobicContact CG1-CD1 3.64Å; I236-I241 VanDerWaalsContact N-CD1 3.31Å; E239-I241 PolarHBondContact O-N 3.18Å
242	R	65.1	Low	62.8	Low	40 Å²	40	80.8 Å²	80.8	15%	0.151	41%	0.413	C	S	.	.	S	Bend	trans	-47	141.7	-173.8	-170.3	-169.6	-178.6	126.9	-0.1	112.7	E239 K244 C334 N337 A338	E239-R242 WeakPolarHBondContact O-CB 3.21Å; E239-R242 PolarHBondContact O-N 3.36Å; R242-K244 PolarHBondContact O-N 3.33Å; R242-K244 VanDerWaalsContact O-N 3.15Å; R242-C334 PolarHBondContact NH2-O 3.35Å; R242-C334 PolarHBondContact NH2-SG 2.9Å; R242-N337 VanDerWaalsContact CZ-CA 3.48Å; R242-N337 PolarHBondContact NH1-O 3.38Å; R242-A338 PolarHBondContact NH1-O 3.02Å
243	P	59.1	Low	60.3	Low	65 Å²	65	91 Å²	91	42%	0.422	45%	0.451	S	S	.	.			trans	-50.8	122.6	165.2	-23.4	32.7	0	0	0	110	R199 C245	R199-P243 HydrophobicContact CB-CG 4.31Å; P243-C245 PolarHBondContact O-N 2.87Å; P243-C245 VanDerWaalsContact O-N 3.12Å
244	K	54.6	Low	57.8	Low	201 Å²	201	94.9 Å²	94.9	87%	0.874	48%	0.477	S	S	*	.			trans	-64.4	115.5	176.6	-72.8	-173.3	178	-176.9	0	108.5	R242 Q246	R242-K244 PolarHBondContact O-N 3.33Å; R242-K244 VanDerWaalsContact O-N 3.15Å; K244-Q246 PolarHBondContact O-N 2.84Å
245	C	50.7	Low	55.2	Low	31 Å²	31	97.5 Å²	97.5	21%	0.209	49%	0.491	C	S	.	.			trans	-70.6	110.3	174.5	-176.1	0	0	0	0	109.4	P243 A247 V335	P243-C245 PolarHBondContact O-N 2.87Å; P243-C245 VanDerWaalsContact O-N 3.12Å; C245-A247 PolarHBondContact O-N 3.37Å; C245-A247 VanDerWaalsContact O-N 3.07Å; C245-V335 VanDerWaalsContact SG-CG1 3.6Å
246	Q	42.6	Very low	52.5	Low	175 Å²	175	102.2 Å²	102.2	82%	0.818	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.7	-180	-66.9	-175.3	3.2	0	0	113.7	K244	K244-Q246 PolarHBondContact O-N 2.84Å
247	A	41.8	Very low	49.8	Very low	59 Å²	59	107.6 Å²	107.6	49%	0.488	55%	0.548	S	S	.	.	H	α-helix	trans	-76.3	-25.8	-178.8	0	0	0	0	0	114.1	C245	C245-A247 PolarHBondContact O-N 3.37Å; C245-A247 VanDerWaalsContact O-N 3.07Å
248	S	36	Very low	47.1	Very low	56 Å²	56	110.7 Å²	110.7	39%	0.392	56%	0.564	S	S	.	*	H	α-helix	trans	-79.3	-21.6	-175.1	89.5	0	0	0	0	114	L252	S248-L252 WeakPolarHBondContact O-CD1 3.37Å
249	E	36	Very low	44.5	Very low	144 Å²	144	114.6 Å²	114.6	67%	0.673	59%	0.585	S	S	*	*	H	α-helix	trans	-80.6	-27.2	178.4	-79.2	-175.7	161.4	0	0	113.3
250	K	33.9	Very low	42.3	Very low	173 Å²	173	118.1 Å²	118.1	75%	0.752	61%	0.611	S	S	*	*	H	α-helix	trans	-80.1	-32.1	177.2	-81.6	-176.7	176.7	178.2	0	113	T254	K250-T254 PolarHBondContact O-OG1 2.9Å; K250-T254 VanDerWaalsContact O-OG1 3.04Å
251	M	33.4	Very low	40.3	Very low	141 Å²	141	116 Å²	116	70%	0.695	62%	0.617	S	S	*	*	H	α-helix	trans	-81.5	-23.3	-176.6	-139.9	165.5	86.8	0	0	113.7
252	L	34.6	Very low	38.7	Very low	128 Å²	128	125.6 Å²	125.6	67%	0.67	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-19.3	172.1	-98.3	95.5	0	0	0	113.5	S248	S248-L252 WeakPolarHBondContact O-CD1 3.37Å
253	R	35.6	Very low	37	Very low	216 Å²	216	128.3 Å²	128.3	82%	0.815	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-13.9	-179.8	-77.2	-176.4	174.6	170.9	1.2	114.2
254	T	36.8	Very low	35.8	Very low	99 Å²	99	132.4 Å²	132.4	61%	0.607	71%	0.714	S	S	*	*	S	Bend	trans	-100.4	-3.9	-177.4	27.6	0	0	0	0	115.2	K250	K250-T254 PolarHBondContact O-OG1 2.9Å; K250-T254 VanDerWaalsContact O-OG1 3.04Å
255	N	33.8	Very low	34.8	Very low	138 Å²	138	128.1 Å²	128.1	74%	0.738	71%	0.709	S	S	*	*	S	Bend	trans	-114.4	18.4	178	-77.1	-18.6	0	0	0	114.3
256	L	31.4	Very low	33.8	Very low	153 Å²	153	133.9 Å²	133.9	80%	0.801	74%	0.738	S	S	*	*			trans	-105.3	70.7	172	-87.2	152.6	0	0	0	109.7
257	T	33.3	Very low	33.5	Very low	112 Å²	112	135.5 Å²	135.5	69%	0.687	74%	0.742	S	S	*	*			trans	-125.4	94.2	170	-23.7	0	0	0	0	109
258	I	30	Very low	33	Very low	154 Å²	154	143 Å²	143	79%	0.79	76%	0.764	S	S	*	*			trans	52.4	99.8	146	-48.2	171.2	0	0	0	117.3
259	V	30	Very low	32.9	Very low	139 Å²	139	144.1 Å²	144.1	84%	0.842	78%	0.784	S	S	*	*			trans	-142.4	127.4	140.9	-170.2	0	0	0	0	108.4
260	P	32.3	Very low	32.9	Very low	107 Å²	107	146.4 Å²	146.4	70%	0.695	80%	0.795	S	S	*	*			trans	-78.2	150.7	-170.2	30.2	-33.2	0	0	0	113.8
261	A	28.9	Very low	32.9	Very low	98 Å²	98	148.9 Å²	148.9	81%	0.81	80%	0.801	S	S	*	*			trans	-74.1	139.2	-175.9	0	0	0	0	0	113.8
262	F	32.5	Very low	33	Very low	208 Å²	208	152.8 Å²	152.8	91%	0.912	81%	0.808	S	S	*	*			trans	-120.6	125.2	155.8	-82.7	-82.3	0	0	0	109.4
263	A	30.2	Very low	33.1	Very low	97 Å²	97	151.8 Å²	151.8	80%	0.802	81%	0.812	S	S	*	*			trans	-89	137.2	-178.5	0	0	0	0	0	111.3
264	V	32.6	Very low	33.2	Very low	152 Å²	152	153.1 Å²	153.1	92%	0.921	82%	0.817	S	S	*	*			trans	-141.2	135.8	156.3	-176.1	0	0	0	0	109.8
265	S	34.4	Very low	33.1	Very low	111 Å²	111	153.1 Å²	153.1	78%	0.776	82%	0.82	S	S	*	*			trans	-69.9	148.9	-164.9	-179	0	0	0	0	116.8
266	D	30	Very low	33.3	Very low	152 Å²	152	154 Å²	154	81%	0.813	83%	0.825	S	S	*	*			trans	-53.8	140.1	165.6	-82.4	-45.6	0	0	0	114.5
267	K	35.9	Very low	33.5	Very low	209 Å²	209	150.8 Å²	150.8	91%	0.909	82%	0.821	S	S	*	*			trans	-144.9	127.3	142.4	-75.5	-165.4	179.5	171.8	0	111.8
268	K	32.3	Very low	33.5	Very low	216 Å²	216	152 Å²	152	94%	0.939	83%	0.828	S	S	*	*			trans	-64.9	142.8	179.7	-72.9	170	172.5	172.1	0	113.4
269	G	34	Very low	33.6	Very low	80 Å²	80	149.2 Å²	149.2	83%	0.825	83%	0.828	S	S	*	*			trans	-153.8	117.4	162.1	0	0	0	0	0	111.7
270	H	35.8	Very low	33.6	Very low	192 Å²	192	149.8 Å²	149.8	89%	0.889	83%	0.827	S	S	*	*			trans	-75.9	142.2	174.1	-83.4	-74.9	0	0	0	111.6
271	Y	33.4	Very low	33.4	Very low	224 Å²	224	152.4 Å²	152.4	88%	0.878	83%	0.829	S	S	*	*			trans	-156.2	154.1	140.8	-146	-106.8	0	0	0	114.1
272	R	35.5	Very low	33.3	Very low	223 Å²	223	152.3 Å²	152.3	84%	0.842	82%	0.823	S	S	*	*			trans	-89.7	160	-158.3	-71.4	166.8	131.9	-170.2	-4.5	114.8
273	S	36.3	Very low	33.1	Very low	108 Å²	108	153.8 Å²	153.8	76%	0.755	82%	0.822	S	S	*	*			trans	-42	141.9	169.9	177	0	0	0	0	116.5
274	R	37.6	Very low	33	Very low	244 Å²	244	154.6 Å²	154.6	92%	0.921	82%	0.817	S	S	*	*			trans	-168	148.1	139.8	-110.1	176.9	153.3	103.3	3.4	114.2
275	S	35.7	Very low	32.7	Very low	98 Å²	98	154 Å²	154	69%	0.685	81%	0.808	S	S	*	*			trans	-80.1	170.7	-175.6	-30.6	0	0	0	0	114.5
276	D	38	Very low	32.5	Very low	157 Å²	157	157.2 Å²	157.2	84%	0.84	81%	0.808	S	S	*	*			trans	97.8	110.8	154.1	-58.2	-22.8	0	0	0	120.6
277	A	34	Very low	32.2	Very low	86 Å²	86	161.8 Å²	161.8	71%	0.711	81%	0.814	S	S	*	*				66.5	121.4	129.1	0	0	0	0	0	122.7
278	T	34.2	Very low	31.8	Very low	137 Å²	137	159.8 Å²	159.8	84%	0.84	81%	0.808	S	S	*	*			trans	77.7	125.5	140.1	35.5	0	0	0	0	121.8
279	A	31.2	Very low	31.5	Very low	96 Å²	96	157.9 Å²	157.9	79%	0.793	81%	0.808	S	S	*	*			trans	67.4	114.3	150.7	0	0	0	0	0	118
280	D	30.1	Very low	31.4	Very low	151 Å²	151	157 Å²	157	81%	0.807	79%	0.789	S	S	*	*				163.6	159.8	93	-160.2	14	0	0	0	111.3
281	H	29.4	Very low	31.5	Very low	162 Å²	162	153.8 Å²	153.8	75%	0.75	78%	0.783	S	S	*	*			trans	-46.1	145.8	-166.1	-92.1	-98.4	0	0	0	120.6
282	S	26.3	Very low	31.4	Very low	95 Å²	95	147 Å²	147	66%	0.664	77%	0.768	S	S	*	*			trans	42.4	107	140.4	67.5	0	0	0	0	118.6
283	R	29	Very low	31.6	Very low	239 Å²	239	140.5 Å²	140.5	90%	0.902	76%	0.757	S	S	*	*			trans	-166.9	122.6	140.6	-102.9	151.5	-169.6	-150.6	6	111.1
284	V	28.2	Very low	31.6	Very low	114 Å²	114	140 Å²	140	69%	0.691	75%	0.745	S	S	*	*				87.3	104.7	124.3	174.1	0	0	0	0	118.1
285	L	26.4	Very low	31.7	Very low	141 Å²	141	138.4 Å²	138.4	74%	0.738	74%	0.739	S	S	*	*				78.3	136.9	128	-66.4	175.2	0	0	0	121.5
286	K	28.4	Very low	32.2	Very low	177 Å²	177	136.9 Å²	136.9	77%	0.77	73%	0.728	S	S	*	*			trans	82.8	83.4	144.2	-74.8	169.9	179.7	-173.9	0	118.4	E288	K286-E288 PolarHBondContact O-N 3.01Å; K286-E288 VanDerWaalsContact O-N 3.15Å
287	R	24.9	Very low	32.3	Very low	249 Å²	249	132.7 Å²	132.7	94%	0.94	71%	0.705	S	S	*	*				3.2	90	121.4	-148.1	175.5	-167.2	166.4	2.6	115.3
288	E	26.6	Very low	33.1	Very low	167 Å²	167	133.5 Å²	133.5	78%	0.78	69%	0.691	S	S	*	*			trans	-136.4	102.3	157.8	-74.2	-168.7	171.9	0	0	109.5	K286 S290	K286-E288 PolarHBondContact O-N 3.01Å; K286-E288 VanDerWaalsContact O-N 3.15Å; E288-S290 VanDerWaalsContact C-N 3.29Å; E288-S290 PolarHBondContact O-N 3.33Å
289	N	27.4	Very low	33.8	Very low	176 Å²	176	131.5 Å²	131.5	94%	0.941	68%	0.682	S	S	*	*			trans	-72.5	84.7	170.4	-83	-13.5	0	0	0	108.9
290	S	31.5	Very low	35.2	Very low	61 Å²	61	130.3 Å²	130.3	43%	0.427	66%	0.66	S	S	.	*			trans	-103.4	145.1	169.4	64.9	0	0	0	0	110.6	E288 S292 S293	E288-S290 VanDerWaalsContact C-N 3.29Å; E288-S290 PolarHBondContact O-N 3.33Å; S290-S292 PolarHBondContact O-N 2.94Å; S290-S292 PolarHBondContact OG-OG 2.96Å; S290-S293 PolarHBondContact O-N 3.08Å; S290-S293 VanDerWaalsContact O-N 3.09Å
291	V	37.7	Very low	36.8	Very low	125 Å²	125	125.2 Å²	125.2	76%	0.758	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.5	-15.1	-177.3	-177.7	0	0	0	0	113.9	S293 L294	V291-S293 VanDerWaalsContact C-N 3.3Å; V291-S293 PolarHBondContact O-N 3.04Å; V291-L294 PolarHBondContact O-N 3.16Å
292	S	32	Very low	38.9	Very low	82 Å²	82	118.4 Å²	118.4	57%	0.573	61%	0.61	S	S	*	*	H	α-helix	trans	-51.9	-36.8	169.8	-27.6	0	0	0	0	114.4	S290 L294 R295	S290-S292 PolarHBondContact O-N 2.94Å; S290-S292 PolarHBondContact OG-OG 2.96Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.28Å; S292-R295 PolarHBondContact O-N 3.14Å
293	S	38.6	Very low	41.6	Very low	86 Å²	86	117.2 Å²	117.2	60%	0.601	60%	0.596	S	S	*	*	H	α-helix	trans	-71.2	-26.4	-174.9	-158.2	0	0	0	0	113.2	S290 V291 R295 S296	S290-S293 PolarHBondContact O-N 3.08Å; S290-S293 VanDerWaalsContact O-N 3.09Å; V291-S293 VanDerWaalsContact C-N 3.3Å; V291-S293 PolarHBondContact O-N 3.04Å; S293-R295 PolarHBondContact O-N 3.38Å; S293-S296 WeakPolarHBondContact O-CB 3.08Å; S293-S296 PolarHBondContact O-N 3.2Å
294	L	37.5	Very low	44.3	Very low	96 Å²	96	106.6 Å²	106.6	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-71.8	-28.5	177.3	-68.3	171.2	0	0	0	112.7	V291 S292 S296 L297 Y298	V291-L294 PolarHBondContact O-N 3.16Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.28Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-L297 HydrophobicContact CD2-CD1 4.05Å; L294-L297 PolarHBondContact O-N 3.39Å; L294-Y298 WeakPolarHBondContact O-CD2 3.27Å
295	R	39.6	Very low	47	Very low	212 Å²	212	104 Å²	104	80%	0.8	54%	0.544	S	S	*	.	H	α-helix	trans	-69.1	-30.6	173.9	-80	-174.8	-176.3	176.4	1.9	112.4	S292 S293 L297 Y298 S299	S292-R295 PolarHBondContact O-N 3.14Å; S293-R295 PolarHBondContact O-N 3.38Å; R295-L297 VanDerWaalsContact C-N 3.27Å; R295-L297 PolarHBondContact O-N 2.94Å; R295-Y298 PolarHBondContact O-N 3.11Å; R295-S299 PolarHBondContact O-N 3Å
296	S	44.8	Very low	49.7	Very low	66 Å²	66	99.4 Å²	99.4	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-33.9	175	-168.8	0	0	0	0	112	S293 L294 Y298 S299 H300	S293-S296 WeakPolarHBondContact O-CB 3.08Å; S293-S296 PolarHBondContact O-N 3.2Å; L294-S296 VanDerWaalsContact C-N 3.31Å; S296-Y298 PolarHBondContact O-N 2.6Å; S296-S299 WeakPolarHBondContact O-CB 3.34Å; S296-S299 PolarHBondContact O-N 2.73Å; S296-H300 PolarHBondContact O-CD2 3.32Å
297	L	41.4	Very low	52.3	Low	68 Å²	68	92.7 Å²	92.7	36%	0.356	50%	0.502	S	S	.	.	H	α-helix	trans	-68	-33.6	-178.9	-69.2	167.2	0	0	0	112.7	L294 R295 S299	L294-L297 HydrophobicContact CD2-CD1 4.05Å; L294-L297 PolarHBondContact O-N 3.39Å; R295-L297 VanDerWaalsContact C-N 3.27Å; R295-L297 PolarHBondContact O-N 2.94Å; L297-S299 VanDerWaalsContact C-N 3.32Å
298	Y	50.2	Low	55.2	Low	104 Å²	104	87 Å²	87	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-77.9	-15.6	174.9	-62.4	-67.1	0	0	0	113.6	L294 R295 S296 H300 S301 P339	L294-Y298 WeakPolarHBondContact O-CD2 3.27Å; R295-Y298 PolarHBondContact O-N 3.11Å; S296-Y298 PolarHBondContact O-N 2.6Å; Y298-H300 PolarHBondContact O-N 2.75Å; Y298-S301 PolarHBondContact O-OG 2.99Å; Y298-P339 HydrophobicContact CE1-CG 3.68Å; Y298-P339 WeakPolarHBondContact OH-CD 3.23Å
299	S	49.4	Very low	58	Low	94 Å²	94	79.1 Å²	79.1	66%	0.657	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.4	178.2	-166.9	0	0	0	0	113.1	R295 S296 L297	R295-S299 PolarHBondContact O-N 3Å; S296-S299 WeakPolarHBondContact O-CB 3.34Å; S296-S299 PolarHBondContact O-N 2.73Å; L297-S299 VanDerWaalsContact C-N 3.32Å
300	H	59.7	Low	61	Low	72 Å²	72	71 Å²	71	33%	0.333	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	2.4	-174.5	-64.4	-53.4	0	0	0	113.6	S296 Y298 G302 D303 T306	S296-H300 PolarHBondContact O-CD2 3.32Å; Y298-H300 PolarHBondContact O-N 2.75Å; H300-G302 PolarHBondContact O-N 2.71Å; H300-D303 PolarHBondContact O-N 2.83Å; H300-D303 VanDerWaalsContact O-N 3.08Å; H300-T306 HydrophobicContact CB-CG2 3.84Å
301	S	64.9	Low	63.6	Low	43 Å²	43	70.6 Å²	70.6	30%	0.301	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	127.7	-179.1	-54.9	0	0	0	0	111.2	Y298 D303	Y298-S301 PolarHBondContact O-OG 2.99Å; S301-D303 PolarHBondContact O-N 3.23Å
302	G	72.5	Confident	65.8	Low	19 Å²	19	65.1 Å²	65.1	20%	0.196	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-5.5	-177.7	0	0	0	0	0	115.8	H300 L304 A309	H300-G302 PolarHBondContact O-N 2.71Å; G302-L304 PolarHBondContact O-N 3.27Å; G302-A309 PolarHBondContact N-O 3.17Å; G302-A309 VanDerWaalsContact N-O 3.08Å
303	D	83.3	Confident	68.1	Low	71 Å²	71	62 Å²	62	38%	0.38	34%	0.341	S	S	.	.			trans	-81.4	98.7	174.6	-176.8	-2.6	0	0	0	110.4	H300 S301 S305 T306	H300-D303 PolarHBondContact O-N 2.83Å; H300-D303 VanDerWaalsContact O-N 3.08Å; S301-D303 PolarHBondContact O-N 3.23Å; D303-S305 VanDerWaalsContact CG-OG 3.24Å; D303-S305 PolarHBondContact O-N 2.86Å; D303-S305 WeakPolarHBondContact OD1-CB 3.48Å; D303-S305 PolarHBondContact OD1-N 3.44Å; D303-S305 PolarHBondContact OD1-OG 3.32Å; D303-S305 PolarHBondContact OD2-OG 3.19Å; D303-T306 HydrophobicContact CB-CG2 3.8Å; D303-T306 WeakPolarHBondContact O-CB 3.16Å; D303-T306 WeakPolarHBondContact O-CG2 3.5Å; D303-T306 PolarHBondContact O-N 3.19Å; D303-T306 PolarHBondContact O-OG1 3.1Å
304	L	85.9	Confident	70.1	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.6	-18.2	-178.4	-62.5	-177.7	0	0	0	113.9	G302 T306 A309 F310 M377 N381	G302-L304 PolarHBondContact O-N 3.27Å; L304-T306 PolarHBondContact O-N 3.08Å; L304-A309 HydrophobicContact CD2-CB 3.93Å; L304-F310 HydrophobicContact CD2-CE1 4.39Å; L304-F310 HydrophobicContact CD2-CZ 3.88Å; L304-M377 HydrophobicContact CB-CE 4.33Å; L304-N381 WeakPolarHBondContact CA-ND2 3.36Å; L304-N381 PolarHBondContact O-ND2 3.36Å
305	S	84	Confident	72	Confident	60 Å²	60	57.3 Å²	57.3	42%	0.42	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-74.6	-12.7	-179.8	72.4	0	0	0	0	113.9	D303	D303-S305 VanDerWaalsContact CG-OG 3.24Å; D303-S305 PolarHBondContact O-N 2.86Å; D303-S305 WeakPolarHBondContact OD1-CB 3.48Å; D303-S305 PolarHBondContact OD1-N 3.44Å; D303-S305 PolarHBondContact OD1-OG 3.32Å; D303-S305 PolarHBondContact OD2-OG 3.19Å
306	T	84.2	Confident	73.4	Confident	44 Å²	44	48.8 Å²	48.8	27%	0.27	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-90.4	-17.1	-169.4	65.7	0	0	0	0	114.2	H300 D303 L304 R308	H300-T306 HydrophobicContact CB-CG2 3.84Å; D303-T306 HydrophobicContact CB-CG2 3.8Å; D303-T306 WeakPolarHBondContact O-CB 3.16Å; D303-T306 WeakPolarHBondContact O-CG2 3.5Å; D303-T306 PolarHBondContact O-N 3.19Å; D303-T306 PolarHBondContact O-OG1 3.1Å; L304-T306 PolarHBondContact O-N 3.08Å; T306-R308 PolarHBondContact O-N 3.09Å; T306-R308 PolarHBondContact OG1-N 3.2Å; T306-R308 VanDerWaalsContact OG1-N 3.15Å
307	G	83.3	Confident	74.3	Confident	35 Å²	35	47.6 Å²	47.6	36%	0.361	28%	0.275	S	S	.	.	S	Bend	trans	68.5	8.3	-169	0	0	0	0	0	114	L380 N381	G307-L380 VanDerWaalsContact CA-O 3.26Å; G307-L380 WeakPolarHBondContact CA-O 3.31Å; G307-N381 WeakPolarHBondContact CA-OD1 3.2Å; G307-N381 PolarHBondContact N-OD1 3.27Å
308	R	83.9	Confident	75	Confident	131 Å²	131	50.4 Å²	50.4	49%	0.494	28%	0.284	S	S	.	.			trans	-133.3	18	-176.5	-63.9	-176.3	-178.4	-105.6	2.1	112.9	T306 F310 D311 N381	T306-R308 PolarHBondContact O-N 3.09Å; T306-R308 PolarHBondContact OG1-N 3.2Å; T306-R308 VanDerWaalsContact OG1-N 3.15Å; R308-F310 PolarHBondContact O-N 3.18Å; R308-D311 HydrophobicContact CB-CB 4.1Å; R308-D311 IonicContact NH1-OD2 3.49Å; R308-D311 PolarHBondContact NH1-OD2 3.45Å; R308-D311 WeakPolarHBondContact O-CB 3.44Å; R308-D311 PolarHBondContact O-N 3.21Å; R308-N381 PolarHBondContact N-OD1 3.45Å
309	A	87.1	Confident	74.5	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30	-174.8	0	0	0	0	0	113.8	G302 L304 N381	G302-A309 PolarHBondContact N-O 3.17Å; G302-A309 VanDerWaalsContact N-O 3.08Å; L304-A309 HydrophobicContact CD2-CB 3.93Å; A309-N381 HydrophobicContact CB-CB 4.06Å; A309-N381 WeakPolarHBondContact CB-OD1 3.27Å; A309-N381 PolarHBondContact N-OD1 3.3Å
310	F	90.4	Very high	74.2	Confident	5 Å²	5	47.3 Å²	47.3	2%	0.022	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	9.4	-179.3	-44.6	-47.5	0	0	0	113.2	L304 R308 P343 E346 F347 C350 L378 N381 L382 A384 V386	L304-F310 HydrophobicContact CD2-CE1 4.39Å; L304-F310 HydrophobicContact CD2-CZ 3.88Å; R308-F310 PolarHBondContact O-N 3.18Å; F310-P343 VanDerWaalsContact O-CB 3.27Å; F310-P343 WeakPolarHBondContact O-CB 3.28Å; F310-P343 WeakPolarHBondContact O-CG 3.45Å; F310-E346 HydrophobicContact CD1-CB 4.3Å; F310-F347 HydrophobicContact CD1-CB 4Å; F310-F347 HydrophobicContact CD2-CD2 4.39Å; F310-F347 VanDerWaalsContact CE1-CA 3.46Å; F310-F347 HydrophobicContact CE1-CB 3.93Å; F310-F347 HydrophobicContact CE1-CD2 4.3Å; F310-F347 AromaticContact CE2-CD2 3.85Å; F310-F347 HydrophobicContact CE2-CD2 3.85Å; F310-F347 HydrophobicContact CG-CB 4.46Å; F310-F347 HydrophobicContact CZ-CB 4.3Å; F310-F347 AromaticContact CZ-CD2 3.8Å; F310-F347 HydrophobicContact CZ-CD2 3.8Å; F310-C350 HydrophobicContact CE1-CB 4.48Å; F310-L378 HydrophobicContact CE2-CG 4.43Å; F310-L378 HydrophobicContact CZ-CG 4.33Å; F310-N381 HydrophobicContact CD2-CB 3.74Å; F310-N381 WeakPolarHBondContact CD2-O 3.42Å; F310-N381 HydrophobicContact CE2-CB 3.67Å; F310-N381 HydrophobicContact CZ-CB 4.47Å; F310-L382 HydrophobicContact CD2-CD2 4.24Å; F310-L382 HydrophobicContact CE2-CD2 4.27Å; F310-A384 HydrophobicContact CB-CB 3.82Å; F310-A384 HydrophobicContact CD2-CB 4.12Å; F310-A384 HydrophobicContact CG-CB 4.46Å; F310-V386 HydrophobicContact CB-CG1 4.04Å; F310-V386 HydrophobicContact CG-CG1 4.32Å
311	D	85	Confident	73.3	Confident	54 Å²	54	50.4 Å²	50.4	29%	0.289	30%	0.297	S	S	.	.			trans	-85	118.8	175.3	-173	-1.6	0	0	0	109.5	R308 G313 M342	R308-D311 HydrophobicContact CB-CB 4.1Å; R308-D311 IonicContact NH1-OD2 3.49Å; R308-D311 PolarHBondContact NH1-OD2 3.45Å; R308-D311 WeakPolarHBondContact O-CB 3.44Å; R308-D311 PolarHBondContact O-N 3.21Å; D311-G313 VanDerWaalsContact C-N 3.3Å; D311-G313 WeakPolarHBondContact OD1-CA 3.45Å; D311-G313 PolarHBondContact OD1-N 3.26Å; D311-M342 WeakPolarHBondContact O-CE 3.23Å
312	N	84.8	Confident	71.8	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.048	33%	0.325	C	S	.	.			trans	-88	6.6	175.1	66.2	-1.6	0	0	0	114	C314 A338 P339 M342 P343 R385	N312-C314 VanDerWaalsContact C-N 3.29Å; N312-C314 PolarHBondContact O-N 3.14Å; N312-C314 VanDerWaalsContact OD1-CB 3.28Å; N312-C314 WeakPolarHBondContact OD1-CB 3.39Å; N312-C314 PolarHBondContact OD1-N 2.86Å; N312-A338 HydrophobicContact CB-CB 4.44Å; N312-A338 WeakPolarHBondContact O-CB 3.45Å; N312-P339 VanDerWaalsContact CB-O 3.3Å; N312-P339 WeakPolarHBondContact CB-O 3.4Å; N312-P339 PolarHBondContact ND2-O 3.08Å; N312-M342 HydrophobicContact CB-CE 3.99Å; N312-P343 HydrophobicContact CB-CG 3.72Å; N312-R385 PolarHBondContact ND2-NH2 2.72Å; N312-R385 PolarHBondContact OD1-NH2 3.21Å
313	G	79.1	Confident	69.9	Low	17 Å²	17	59.9 Å²	59.9	18%	0.175	34%	0.343	C	S	.	.			trans	73.9	16.6	178.8	0	0	0	0	0	114	D311 C315	D311-G313 VanDerWaalsContact C-N 3.3Å; D311-G313 WeakPolarHBondContact OD1-CA 3.45Å; D311-G313 PolarHBondContact OD1-N 3.26Å; G313-C315 PolarHBondContact O-N 3.13Å
314	C	82	Confident	67.4	Low	11 Å²	11	62.3 Å²	62.3	7%	0.074	36%	0.361	C	S	.	.			trans	-67.3	118.1	177.7	-176	0	0	0	0	111.6	N312 C334 A338	N312-C314 VanDerWaalsContact C-N 3.29Å; N312-C314 PolarHBondContact O-N 3.14Å; N312-C314 VanDerWaalsContact OD1-CB 3.28Å; N312-C314 WeakPolarHBondContact OD1-CB 3.39Å; N312-C314 PolarHBondContact OD1-N 2.86Å; C314-C334 PolarHBondContact SG-SG 3.4Å; C314-A338 HydrophobicContact CB-CB 3.68Å
315	C	76.4	Confident	64.7	Low	73 Å²	73	67.4 Å²	67.4	49%	0.493	39%	0.393	S	S	.	.			trans	-93.6	-5.6	177.2	-59.4	0	0	0	0	113.8	G313 H317 K318	G313-C315 PolarHBondContact O-N 3.13Å; C315-H317 PolarHBondContact O-N 3.13Å; C315-K318 PolarHBondContact O-N 3.25Å
316	C	69.7	Low	62.1	Low	32 Å²	32	70.9 Å²	70.9	22%	0.216	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.4	-170.1	-60.8	0	0	0	0	114.3	V335 C336	C316-V335 VanDerWaalsContact SG-CG2 3.53Å; C316-V335 PolarHBondContact SG-N 2.93Å; C316-C336 VanDerWaalsContact SG-CB 3.6Å; C316-C336 PolarHBondContact SG-N 3.28Å; C316-C336 VanDerWaalsContact SG-N 3.36Å
317	H	63.2	Low	59.5	Low	42 Å²	42	76 Å²	76	19%	0.194	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.7	-179.3	-57.7	-81	0	0	0	113.4	C315 S320 R385 S430	C315-H317 PolarHBondContact O-N 3.13Å; H317-S320 PolarHBondContact O-OG 3.11Å; H317-R385 PolarHBondContact CD2-NH1 3.17Å; H317-R385 PolarHBondContact NE2-NH1 3.24Å; H317-S430 PolarHBondContact CE1-O 3.49Å; H317-S430 VanDerWaalsContact CE1-O 3.29Å
318	K	55.3	Low	57	Low	126 Å²	126	81 Å²	81	55%	0.548	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-75.4	-27.3	178.2	-67	-174.9	179.4	178.1	0	112.3	C315 S320 E321	C315-K318 PolarHBondContact O-N 3.25Å; K318-S320 PolarHBondContact O-N 3.26Å; K318-E321 PolarHBondContact O-N 3.02Å
319	A	41.3	Very low	54.6	Low	76 Å²	76	84.5 Å²	84.5	63%	0.628	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-70	-11.6	179.2	0	0	0	0	0	114.1
320	S	41.3	Very low	52.3	Low	57 Å²	57	88.5 Å²	88.5	40%	0.399	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-92.7	-15	179.4	52.5	0	0	0	0	114.6	H317 K318 E322 A323	H317-S320 PolarHBondContact O-OG 3.11Å; K318-S320 PolarHBondContact O-N 3.26Å; S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 3Å; S320-A323 PolarHBondContact O-N 2.91Å
321	E	40.9	Very low	50.3	Low	137 Å²	137	91.9 Å²	91.9	64%	0.64	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.8	179.5	-72.6	-176.2	158.7	0	0	112.6	K318	K318-E321 PolarHBondContact O-N 3.02Å
322	E	34.6	Very low	48.8	Very low	190 Å²	190	98 Å²	98	89%	0.888	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-3	177.6	-67	175.4	166.9	0	0	113.5	S320	S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 3Å
323	A	32.8	Very low	47.7	Very low	71 Å²	71	103.6 Å²	103.6	59%	0.587	57%	0.574	S	S	*	*			trans	-126.4	52	-176	0	0	0	0	0	111.7	S320 T325	S320-A323 PolarHBondContact O-N 2.91Å; A323-T325 VanDerWaalsContact C-N 3.34Å; A323-T325 PolarHBondContact O-N 3.24Å
324	V	30.9	Very low	47.3	Very low	123 Å²	123	104.3 Å²	104.3	75%	0.745	58%	0.576	S	S	*	*			trans	-90.5	71.4	172.8	-172	0	0	0	0	109.2
325	T	29	Very low	46.8	Very low	123 Å²	123	107.6 Å²	107.6	76%	0.755	60%	0.596	S	S	*	*	S	Bend	trans	-154.1	110.4	155.7	33.3	0	0	0	0	108.1	A323	A323-T325 VanDerWaalsContact C-N 3.34Å; A323-T325 PolarHBondContact O-N 3.24Å
326	V	29.1	Very low	46.9	Very low	132 Å²	132	106.7 Å²	106.7	80%	0.8	59%	0.59	S	S	*	*	S	Bend	trans	64	102.9	164.6	-166	0	0	0	0	114.1
327	L	29.9	Very low	47.3	Very low	151 Å²	151	109.3 Å²	109.3	79%	0.791	60%	0.601	S	S	*	*			trans	162.4	105.4	139	-83.4	165.2	0	0	0	110.4
328	N	29.5	Very low	48.2	Very low	140 Å²	140	107.4 Å²	107.4	75%	0.749	59%	0.593	S	S	*	*			trans	32.4	124.3	158.3	-69.9	-6.1	0	0	0	120	S330	N328-S330 PolarHBondContact O-N 3.44Å
329	E	33.9	Very low	49.6	Very low	206 Å²	206	102.9 Å²	102.9	96%	0.963	58%	0.576	S	S	*	*			trans	-58.6	42.5	167.4	-62	173.7	146.9	0	0	114.5	V331	E329-V331 PolarHBondContact O-N 3.22Å
330	S	38.7	Very low	51.8	Low	83 Å²	83	101.2 Å²	101.2	58%	0.58	55%	0.554	S	S	*	*			trans	-85.2	112.2	172.3	57.9	0	0	0	0	109.7	N328 R332	N328-S330 PolarHBondContact O-N 3.44Å; S330-R332 PolarHBondContact O-N 3.46Å; S330-R332 VanDerWaalsContact O-N 3.08Å
331	V	48.2	Very low	54.1	Low	77 Å²	77	98.8 Å²	98.8	47%	0.467	54%	0.537	S	S	.	.			trans	-42.7	111.3	169.3	178.9	0	0	0	0	109.3	E329 E428	E329-V331 PolarHBondContact O-N 3.22Å; V331-E428 VanDerWaalsContact CG1-OE2 3.28Å; V331-E428 WeakPolarHBondContact CG1-OE2 3.38Å; V331-E428 VanDerWaalsContact CG2-CD 3.49Å; V331-E428 WeakPolarHBondContact CG2-OE1 3.11Å; V331-E428 VanDerWaalsContact CG2-OE2 3.23Å; V331-E428 WeakPolarHBondContact CG2-OE2 3.14Å
332	R	53.2	Low	56.5	Low	182 Å²	182	93.6 Å²	93.6	69%	0.687	51%	0.513	S	S	*	.			trans	-90	110	174.1	-61.2	-167.3	-148	-146.9	6.7	108.7	S330	S330-R332 PolarHBondContact O-N 3.46Å; S330-R332 VanDerWaalsContact O-N 3.08Å
333	D	61.8	Low	59.2	Low	127 Å²	127	84.8 Å²	84.8	68%	0.679	47%	0.472	S	S	*	.			trans	-51.8	139.9	165.6	-78.7	-36.8	0	0	0	110.3	V335	D333-V335 WeakPolarHBondContact O-CG1 3.37Å; D333-V335 PolarHBondContact O-N 3.01Å; D333-V335 VanDerWaalsContact O-N 3.08Å
334	C	70.7	Confident	62.1	Low	32 Å²	32	81.5 Å²	81.5	22%	0.216	44%	0.444	C	S	.	.			trans	-57.9	116.3	178.1	172.4	0	0	0	0	110.8	R242 C314 C336	R242-C334 PolarHBondContact NH2-O 3.35Å; R242-C334 PolarHBondContact NH2-SG 2.9Å; C314-C334 PolarHBondContact SG-SG 3.4Å; C334-C336 PolarHBondContact SG-SG 3.38Å
335	V	73.1	Confident	65	Low	80 Å²	80	77 Å²	77	49%	0.485	42%	0.42	S	S	.	.			trans	-92.8	-12.5	178.6	-59.9	0	0	0	0	114	C245 C316 D333 N337	C245-V335 VanDerWaalsContact SG-CG1 3.6Å; C316-V335 VanDerWaalsContact SG-CG2 3.53Å; C316-V335 PolarHBondContact SG-N 2.93Å; D333-V335 WeakPolarHBondContact O-CG1 3.37Å; D333-V335 PolarHBondContact O-N 3.01Å; D333-V335 VanDerWaalsContact O-N 3.08Å; V335-N337 VanDerWaalsContact C-N 3.32Å; V335-N337 PolarHBondContact O-N 2.9Å
336	C	78.3	Confident	68.1	Low	54 Å²	54	72.9 Å²	72.9	37%	0.365	39%	0.392	S	S	.	.	S	Bend	trans	-87.8	8.8	-173	69.5	0	0	0	0	114.9	C316 C334 A338	C316-C336 VanDerWaalsContact SG-CB 3.6Å; C316-C336 PolarHBondContact SG-N 3.28Å; C316-C336 VanDerWaalsContact SG-N 3.36Å; C334-C336 PolarHBondContact SG-SG 3.38Å; C336-A338 PolarHBondContact O-N 2.86Å; C336-A338 VanDerWaalsContact O-N 3.1Å
337	N	76.9	Confident	71.3	Confident	86 Å²	86	66.6 Å²	66.6	46%	0.46	35%	0.354	S	S	.	.			trans	59.4	16	-177.9	-68.5	-27.9	0	0	0	116.1	R242 V335	R242-N337 VanDerWaalsContact CZ-CA 3.48Å; R242-N337 PolarHBondContact NH1-O 3.38Å; V335-N337 VanDerWaalsContact C-N 3.32Å; V335-N337 PolarHBondContact O-N 2.9Å
338	A	82.6	Confident	74.5	Confident	3 Å²	3	59.5 Å²	59.5	3%	0.025	32%	0.317	C	S	.	.			trans	-58.1	137.5	173.4	0	0	0	0	0	111.5	R242 N312 C314 C336 R340	R242-A338 PolarHBondContact NH1-O 3.02Å; N312-A338 HydrophobicContact CB-CB 4.44Å; N312-A338 WeakPolarHBondContact O-CB 3.45Å; C314-A338 HydrophobicContact CB-CB 3.68Å; C336-A338 PolarHBondContact O-N 2.86Å; C336-A338 VanDerWaalsContact O-N 3.1Å; A338-R340 PolarHBondContact O-N 3.29Å
339	P	85.9	Confident	77.6	Confident	30 Å²	30	58.3 Å²	58.3	20%	0.195	31%	0.305	C	S	.	.			trans	-58	116.2	-180	-26	34.2	0	0	0	111.8	E239 Y298 N312 M342	E239-P339 VanDerWaalsContact OE1-C 3.25Å; E239-P339 WeakPolarHBondContact OE1-CA 3.44Å; E239-P339 WeakPolarHBondContact OE2-CA 3.31Å; Y298-P339 HydrophobicContact CE1-CG 3.68Å; Y298-P339 WeakPolarHBondContact OH-CD 3.23Å; N312-P339 VanDerWaalsContact CB-O 3.3Å; N312-P339 WeakPolarHBondContact CB-O 3.4Å; N312-P339 PolarHBondContact ND2-O 3.08Å; P339-M342 HydrophobicContact CB-CB 3.79Å
340	R	86	Confident	80.5	Confident	41 Å²	41	49 Å²	49	16%	0.155	26%	0.263	C	S	.	.	S	Bend	trans	-74.8	-31.2	-175.4	75.5	-173.5	179.5	114.1	9.2	113.2	C198 R199 V202 S205 E239 A338	C198-R340 PolarHBondContact O-NH1 3Å; C198-R340 PolarHBondContact O-NH2 3.48Å; R199-R340 PolarHBondContact O-NH1 3.14Å; V202-R340 HydrophobicContact CG2-CB 4.15Å; V202-R340 HydrophobicContact CG2-CG 4.03Å; S205-R340 PolarHBondContact OG-NH2 3.48Å; E239-R340 VanDerWaalsContact CD-N 3.26Å; E239-R340 PolarHBondContact OE1-N 3.04Å; E239-R340 WeakPolarHBondContact OE2-CG 3.28Å; E239-R340 PolarHBondContact OE2-N 2.98Å; A338-R340 PolarHBondContact O-N 3.29Å
341	L	90	Very high	83.3	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	24%	0.236	C	C	.	.	S	Bend	trans	-87.5	-28.3	-174.9	-58.1	-174.8	0	0	0	112.1	V202 L206 I236 E239 E344 A345	V202-L341 HydrophobicContact CB-CD2 4.14Å; V202-L341 HydrophobicContact CG1-CD2 3.71Å; V202-L341 HydrophobicContact CG2-CD2 4.23Å; L206-L341 HydrophobicContact CD2-CB 4.26Å; L206-L341 HydrophobicContact CG-CD2 4.32Å; I236-L341 HydrophobicContact CG2-CD1 4.01Å; I236-L341 VanDerWaalsContact O-CD1 3.22Å; I236-L341 WeakPolarHBondContact O-CD1 3.08Å; E239-L341 HydrophobicContact CG-CD1 4.15Å; E239-L341 HydrophobicContact CG-CG 4.12Å; E239-L341 WeakPolarHBondContact OE1-CB 3.3Å; E239-L341 PolarHBondContact OE1-N 3.42Å; L341-E344 PolarHBondContact O-N 3.2Å; L341-A345 VanDerWaalsContact O-CB 3.31Å; L341-A345 WeakPolarHBondContact O-CB 3.33Å; L341-A345 PolarHBondContact O-N 2.69Å
342	M	90.6	Very high	85.6	Confident	28 Å²	28	42.2 Å²	42.2	14%	0.138	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-47.3	-168.5	-172.8	-81.1	-80.5	0	0	114.4	D311 N312 P339 E344 A345 E346	D311-M342 WeakPolarHBondContact O-CE 3.23Å; N312-M342 HydrophobicContact CB-CE 3.99Å; P339-M342 HydrophobicContact CB-CB 3.79Å; M342-E344 PolarHBondContact O-N 3.48Å; M342-A345 PolarHBondContact O-N 2.74Å; M342-E346 HydrophobicContact CG-CG 4.16Å; M342-E346 WeakPolarHBondContact O-CB 3.5Å; M342-E346 PolarHBondContact O-N 3.31Å; M342-E346 HydrophobicContact SD-CB 4.4Å; M342-E346 HydrophobicContact SD-CG 3.82Å
343	P	91.4	Very high	87.6	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.032	20%	0.196	C	C	.	.	H	α-helix	trans	-54.4	-51.7	-178.6	-30.2	38.9	0	0	0	113	F310 N312 F347 V386	F310-P343 VanDerWaalsContact O-CB 3.27Å; F310-P343 WeakPolarHBondContact O-CB 3.28Å; F310-P343 WeakPolarHBondContact O-CG 3.45Å; N312-P343 HydrophobicContact CB-CG 3.72Å; P343-F347 WeakPolarHBondContact O-CB 3.34Å; P343-F347 PolarHBondContact O-N 3.45Å; P343-V386 HydrophobicContact CB-CG1 4.03Å; P343-V386 WeakPolarHBondContact O-CG1 3.31Å
344	E	93.7	Very high	89.2	Confident	2 Å²	2	28.9 Å²	28.9	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-70.9	-40.7	-177.1	-176.3	61.8	-159.8	0	0	111.3	L206 L341 M342 F347 V348 V386 W387 P389	L206-E344 HydrophobicContact CD1-CB 3.69Å; L206-E344 HydrophobicContact CD1-CG 3.42Å; L206-E344 VanDerWaalsContact CD1-CG 3.42Å; L341-E344 PolarHBondContact O-N 3.2Å; M342-E344 PolarHBondContact O-N 3.48Å; E344-F347 PolarHBondContact O-N 3.18Å; E344-V348 WeakPolarHBondContact O-CG2 3.43Å; E344-V348 PolarHBondContact O-N 2.78Å; E344-V386 WeakPolarHBondContact OE2-CA 3.45Å; E344-V386 WeakPolarHBondContact OE2-CB 3.4Å; E344-W387 HydrophobicContact CB-CH2 4.24Å; E344-W387 HydrophobicContact CB-CZ2 4.47Å; E344-W387 HydrophobicContact CB-CZ3 4.47Å; E344-W387 HydrophobicContact CG-CD2 4.46Å; E344-W387 HydrophobicContact CG-CH2 4.19Å; E344-W387 HydrophobicContact CG-CZ2 3.93Å; E344-W387 VanDerWaalsContact OE1-O 3.07Å; E344-W387 PolarHBondContact OE2-N 3.45Å; E344-P389 WeakPolarHBondContact OE1-CD 3.35Å; E344-P389 WeakPolarHBondContact OE1-CG 3.3Å
345	A	93.4	Very high	90.3	Very high	29 Å²	29	27.3 Å²	27.3	24%	0.24	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-45.3	176.9	0	0	0	0	0	112.4	L206 L341 M342 K349	L206-A345 HydrophobicContact CD2-CB 4.01Å; L341-A345 VanDerWaalsContact O-CB 3.31Å; L341-A345 WeakPolarHBondContact O-CB 3.33Å; L341-A345 PolarHBondContact O-N 2.69Å; M342-A345 PolarHBondContact O-N 2.74Å; A345-K349 WeakPolarHBondContact O-CB 3.37Å; A345-K349 PolarHBondContact O-N 2.91Å
346	E	94.1	Very high	91.3	Very high	36 Å²	36	27 Å²	27	17%	0.168	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-36.6	177.6	-72.3	-59.1	143	0	0	111.7	F310 M342 K349 C350	F310-E346 HydrophobicContact CD1-CB 4.3Å; M342-E346 HydrophobicContact CG-CG 4.16Å; M342-E346 WeakPolarHBondContact O-CB 3.5Å; M342-E346 PolarHBondContact O-N 3.31Å; M342-E346 HydrophobicContact SD-CB 4.4Å; M342-E346 HydrophobicContact SD-CG 3.82Å; E346-K349 VanDerWaalsContact CD-NZ 3.28Å; E346-K349 PolarHBondContact O-N 2.82Å; E346-K349 IonicContact OE1-NZ 3.56Å; E346-K349 PolarHBondContact OE1-NZ 3.31Å; E346-K349 IonicContact OE2-NZ 3.49Å; E346-K349 PolarHBondContact OE2-NZ 2.62Å; E346-C350 WeakPolarHBondContact O-CB 3.29Å; E346-C350 PolarHBondContact O-N 3.42Å; E346-C350 PolarHBondContact O-SG 3.33Å
347	F	96	Very high	92.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-51.6	174.4	175.3	-104.5	0	0	0	112.5	F310 P343 E344 K349 C350 L351 L378 V386 L388 I398 I401	F310-F347 HydrophobicContact CD1-CB 4Å; F310-F347 HydrophobicContact CD2-CD2 4.39Å; F310-F347 VanDerWaalsContact CE1-CA 3.46Å; F310-F347 HydrophobicContact CE1-CB 3.93Å; F310-F347 HydrophobicContact CE1-CD2 4.3Å; F310-F347 AromaticContact CE2-CD2 3.85Å; F310-F347 HydrophobicContact CE2-CD2 3.85Å; F310-F347 HydrophobicContact CG-CB 4.46Å; F310-F347 HydrophobicContact CZ-CB 4.3Å; F310-F347 AromaticContact CZ-CD2 3.8Å; F310-F347 HydrophobicContact CZ-CD2 3.8Å; P343-F347 WeakPolarHBondContact O-CB 3.34Å; P343-F347 PolarHBondContact O-N 3.45Å; E344-F347 PolarHBondContact O-N 3.18Å; F347-K349 VanDerWaalsContact C-N 3.31Å; F347-K349 PolarHBondContact O-N 3.21Å; F347-C350 WeakPolarHBondContact O-CB 3.17Å; F347-C350 PolarHBondContact O-N 3.24Å; F347-L351 HydrophobicContact CD1-CD1 4.36Å; F347-L351 HydrophobicContact CE1-CD1 3.68Å; F347-L351 HydrophobicContact CE1-CG 4.47Å; F347-L351 HydrophobicContact CZ-CD1 3.75Å; F347-L351 HydrophobicContact CZ-CG 4.28Å; F347-L351 PolarHBondContact O-N 3.36Å; F347-L351 VanDerWaalsContact O-N 3.09Å; F347-L378 HydrophobicContact CE2-CD1 4.39Å; F347-L378 HydrophobicContact CE2-CD2 4.14Å; F347-V386 HydrophobicContact CB-CB 4.07Å; F347-V386 HydrophobicContact CB-CG1 3.83Å; F347-V386 HydrophobicContact CB-CG2 4.47Å; F347-V386 HydrophobicContact CD1-CB 4.15Å; F347-V386 HydrophobicContact CD1-CG2 4.34Å; F347-V386 HydrophobicContact CD2-CB 4.45Å; F347-V386 HydrophobicContact CD2-CG2 3.99Å; F347-V386 HydrophobicContact CE2-CG2 4.33Å; F347-V386 HydrophobicContact CG-CB 3.97Å; F347-V386 HydrophobicContact CG-CG1 4.25Å; F347-V386 HydrophobicContact CG-CG2 4.01Å; F347-L388 HydrophobicContact CE1-CD2 4.24Å; F347-I398 HydrophobicContact CD1-CD1 4.35Å; F347-I398 HydrophobicContact CE1-CD1 3.39Å; F347-I398 HydrophobicContact CE2-CD1 4.16Å; F347-I398 HydrophobicContact CZ-CD1 3.28Å; F347-I401 HydrophobicContact CE2-CD1 4.25Å; F347-I401 HydrophobicContact CZ-CD1 4.21Å
348	V	96	Very high	92.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-37.3	178.1	174.2	0	0	0	0	111.5	W210 E344 L351 T352 P389 I582 M588	W210-V348 HydrophobicContact CH2-CB 4.34Å; W210-V348 HydrophobicContact CH2-CG1 4.15Å; W210-V348 HydrophobicContact CH2-CG2 3.92Å; W210-V348 HydrophobicContact CZ2-CB 4.05Å; W210-V348 HydrophobicContact CZ2-CG1 3.86Å; W210-V348 HydrophobicContact CZ2-CG2 4.11Å; E344-V348 WeakPolarHBondContact O-CG2 3.43Å; E344-V348 PolarHBondContact O-N 2.78Å; V348-L351 PolarHBondContact O-N 2.73Å; V348-T352 PolarHBondContact O-N 2.86Å; V348-T352 PolarHBondContact O-OG1 2.95Å; V348-P389 HydrophobicContact CG2-CG 4.19Å; V348-I582 HydrophobicContact CG1-CD1 3.52Å; V348-I582 HydrophobicContact CG1-CG1 4.04Å; V348-I582 HydrophobicContact CG1-CG2 4.08Å; V348-M588 HydrophobicContact CG1-CE 4.17Å
349	K	95.3	Very high	93.2	Very high	115 Å²	115	27.9 Å²	27.9	50%	0.5	13%	0.133	S	C	.	.	H	α-helix	trans	-64.5	-39.2	173.7	179.5	176	158.8	-139.8	0	112.3	A345 E346 F347 T352 A353	A345-K349 WeakPolarHBondContact O-CB 3.37Å; A345-K349 PolarHBondContact O-N 2.91Å; E346-K349 VanDerWaalsContact CD-NZ 3.28Å; E346-K349 PolarHBondContact O-N 2.82Å; E346-K349 IonicContact OE1-NZ 3.56Å; E346-K349 PolarHBondContact OE1-NZ 3.31Å; E346-K349 IonicContact OE2-NZ 3.49Å; E346-K349 PolarHBondContact OE2-NZ 2.62Å; F347-K349 VanDerWaalsContact C-N 3.31Å; F347-K349 PolarHBondContact O-N 3.21Å; K349-T352 WeakPolarHBondContact CA-OG1 3.42Å; K349-T352 PolarHBondContact O-OG1 3.25Å; K349-A353 WeakPolarHBondContact O-CB 3.37Å; K349-A353 PolarHBondContact O-N 2.51Å
350	C	95.5	Very high	93.4	Very high	12 Å²	12	31.9 Å²	31.9	8%	0.081	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-44.8	174.4	-74.8	0	0	0	0	111.5	F310 E346 F347 A353 I354	F310-C350 HydrophobicContact CE1-CB 4.48Å; E346-C350 WeakPolarHBondContact O-CB 3.29Å; E346-C350 PolarHBondContact O-N 3.42Å; E346-C350 PolarHBondContact O-SG 3.33Å; F347-C350 WeakPolarHBondContact O-CB 3.17Å; F347-C350 PolarHBondContact O-N 3.24Å; C350-A353 PolarHBondContact O-N 3.31Å; C350-I354 WeakPolarHBondContact O-CG1 3.36Å; C350-I354 PolarHBondContact O-N 3.1Å
351	L	96.5	Very high	93.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-59.1	-54.6	176.1	-66.5	179.3	0	0	0	110.9	F347 V348 A353 I354 G355 L378 Y417 L419 M588	F347-L351 HydrophobicContact CD1-CD1 4.36Å; F347-L351 HydrophobicContact CE1-CD1 3.68Å; F347-L351 HydrophobicContact CE1-CG 4.47Å; F347-L351 HydrophobicContact CZ-CD1 3.75Å; F347-L351 HydrophobicContact CZ-CG 4.28Å; F347-L351 PolarHBondContact O-N 3.36Å; F347-L351 VanDerWaalsContact O-N 3.09Å; V348-L351 PolarHBondContact O-N 2.73Å; L351-A353 VanDerWaalsContact C-N 3.27Å; L351-A353 PolarHBondContact O-N 3.32Å; L351-I354 WeakPolarHBondContact O-CB 3.32Å; L351-I354 PolarHBondContact O-N 3.24Å; L351-G355 PolarHBondContact O-N 3.04Å; L351-L378 HydrophobicContact CD2-CD1 3.84Å; L351-Y417 PolarHBondContact O-OH 2.93Å; L351-L419 HydrophobicContact CD2-CD1 3.81Å; L351-M588 HydrophobicContact CB-CE 4.3Å; L351-M588 HydrophobicContact CD1-CE 3.59Å
352	T	95.4	Very high	93.3	Very high	15 Å²	15	37.1 Å²	37.1	9%	0.092	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-37.3	178	52.9	0	0	0	0	112.7	V348 K349 I354 G355 Y356 I582 A586	V348-T352 PolarHBondContact O-N 2.86Å; V348-T352 PolarHBondContact O-OG1 2.95Å; K349-T352 WeakPolarHBondContact CA-OG1 3.42Å; K349-T352 PolarHBondContact O-OG1 3.25Å; T352-I354 PolarHBondContact O-N 3.36Å; T352-G355 PolarHBondContact O-N 3.39Å; T352-Y356 WeakPolarHBondContact O-CD2 3.3Å; T352-Y356 PolarHBondContact O-N 2.83Å; T352-Y356 VanDerWaalsContact O-N 3.11Å; T352-I582 HydrophobicContact CG2-CD1 3.91Å; T352-I582 HydrophobicContact CG2-CG2 4.33Å; T352-A586 HydrophobicContact CG2-CB 3.97Å
353	A	95.4	Very high	93	Very high	28 Å²	28	39.1 Å²	39.1	23%	0.231	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-35.8	175.6	0	0	0	0	0	113.4	K349 C350 L351 Y356 R357	K349-A353 WeakPolarHBondContact O-CB 3.37Å; K349-A353 PolarHBondContact O-N 2.51Å; C350-A353 PolarHBondContact O-N 3.31Å; L351-A353 VanDerWaalsContact C-N 3.27Å; L351-A353 PolarHBondContact O-N 3.32Å; A353-Y356 PolarHBondContact O-N 2.95Å; A353-R357 WeakPolarHBondContact O-CG 3.38Å; A353-R357 PolarHBondContact O-N 3.12Å; A353-R357 PolarHBondContact O-NH1 3.05Å; A353-R357 VanDerWaalsContact O-NH1 3.14Å
354	I	95.5	Very high	92.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-59.8	-48.7	172	-68.3	167.6	0	0	0	109.5	C350 L351 T352 Y356 R357 L358 L371 E374 L375 L378	C350-I354 WeakPolarHBondContact O-CG1 3.36Å; C350-I354 PolarHBondContact O-N 3.1Å; L351-I354 WeakPolarHBondContact O-CB 3.32Å; L351-I354 PolarHBondContact O-N 3.24Å; T352-I354 PolarHBondContact O-N 3.36Å; I354-Y356 VanDerWaalsContact C-N 3.35Å; I354-Y356 PolarHBondContact O-N 3.38Å; I354-R357 PolarHBondContact O-N 3.02Å; I354-L358 HydrophobicContact CG2-CD1 4.02Å; I354-L358 HydrophobicContact CG2-CG 4.22Å; I354-L358 WeakPolarHBondContact O-CG 3.19Å; I354-L358 PolarHBondContact O-N 3.15Å; I354-L371 HydrophobicContact CG2-CD1 3.93Å; I354-E374 HydrophobicContact CD1-CB 3.98Å; I354-E374 HydrophobicContact CG1-CB 3.97Å; I354-E374 HydrophobicContact CG1-CG 4.44Å; I354-E374 HydrophobicContact CG2-CB 4.28Å; I354-L375 HydrophobicContact CD1-CD2 4.46Å; I354-L378 HydrophobicContact CD1-CD1 4.24Å
355	G	94.2	Very high	91.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.6	-45.8	178	0	0	0	0	0	113.3	L351 T352 R357 L358 R359 T544	L351-G355 PolarHBondContact O-N 3.04Å; T352-G355 PolarHBondContact O-N 3.39Å; G355-R357 VanDerWaalsContact C-N 3.31Å; G355-R357 PolarHBondContact O-N 2.84Å; G355-L358 PolarHBondContact O-N 3.22Å; G355-R359 WeakPolarHBondContact O-CG 3.15Å; G355-R359 PolarHBondContact O-N 3.19Å; G355-T544 VanDerWaalsContact C-OG1 3.23Å; G355-T544 PolarHBondContact O-OG1 2.7Å
356	Y	94.5	Very high	91.8	Very high	73 Å²	73	49 Å²	49	29%	0.286	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-37	176	-69.4	-60	0	0	0	113.2	T352 A353 I354 D585	T352-Y356 WeakPolarHBondContact O-CD2 3.3Å; T352-Y356 PolarHBondContact O-N 2.83Å; T352-Y356 VanDerWaalsContact O-N 3.11Å; A353-Y356 PolarHBondContact O-N 2.95Å; I354-Y356 VanDerWaalsContact C-N 3.35Å; I354-Y356 PolarHBondContact O-N 3.38Å; Y356-D585 PolarHBondContact OH-OD1 3.14Å; Y356-D585 VanDerWaalsContact OH-OD1 3.09Å; Y356-D585 PolarHBondContact OH-OD2 2.97Å; Y356-D585 VanDerWaalsContact OH-OD2 3.1Å
357	R	94	Very high	91.6	Very high	78 Å²	78	48.3 Å²	48.3	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-70.1	-35.7	175.2	-69.9	-169.9	-68.9	-78.2	6.3	112.5	A353 I354 G355 R359 T360 E374	A353-R357 WeakPolarHBondContact O-CG 3.38Å; A353-R357 PolarHBondContact O-N 3.12Å; A353-R357 PolarHBondContact O-NH1 3.05Å; A353-R357 VanDerWaalsContact O-NH1 3.14Å; I354-R357 PolarHBondContact O-N 3.02Å; G355-R357 VanDerWaalsContact C-N 3.31Å; G355-R357 PolarHBondContact O-N 2.84Å; R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 2.93Å; R357-T360 PolarHBondContact O-N 3.45Å; R357-T360 PolarHBondContact O-OG1 3.27Å; R357-E374 IonicContact CZ-OE1 3.29Å; R357-E374 IonicContact CZ-OE2 3.14Å; R357-E374 IonicContact NE-OE1 3.02Å; R357-E374 PolarHBondContact NE-OE1 3.29Å; R357-E374 IonicContact NE-OE2 2.95Å; R357-E374 PolarHBondContact NE-OE2 3.14Å; R357-E374 IonicContact NH2-OE1 3.11Å; R357-E374 IonicContact NH2-OE2 3.25Å; R357-E374 PolarHBondContact NH2-OE2 2.95Å
358	L	93	Very high	91.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-34.2	177.4	-67.1	177.9	0	0	0	112.1	I354 G355 T360 I361 R367 R370 L371 V408 Y417	I354-L358 HydrophobicContact CG2-CD1 4.02Å; I354-L358 HydrophobicContact CG2-CG 4.22Å; I354-L358 WeakPolarHBondContact O-CG 3.19Å; I354-L358 PolarHBondContact O-N 3.15Å; G355-L358 PolarHBondContact O-N 3.22Å; L358-T360 PolarHBondContact O-N 3.1Å; L358-I361 HydrophobicContact CD2-CD1 4.5Å; L358-I361 PolarHBondContact O-N 3.31Å; L358-I361 VanDerWaalsContact O-N 3.13Å; L358-R367 HydrophobicContact CD2-CB 4.41Å; L358-R367 VanDerWaalsContact CD2-O 3.29Å; L358-R367 WeakPolarHBondContact CD2-O 3.43Å; L358-R367 PolarHBondContact O-NE 3.42Å; L358-R370 HydrophobicContact CD2-CB 4.04Å; L358-R370 HydrophobicContact CD2-CG 4.02Å; L358-L371 HydrophobicContact CD1-CB 4.2Å; L358-L371 HydrophobicContact CD1-CD1 4.11Å; L358-L371 HydrophobicContact CD2-CB 4.19Å; L358-V408 HydrophobicContact CD1-CG2 4.19Å; L358-Y417 HydrophobicContact CD1-CD1 3.85Å; L358-Y417 HydrophobicContact CD1-CE1 4.34Å; L358-Y417 HydrophobicContact CD1-CG 4.09Å
359	R	90.3	Very high	91.1	Very high	83 Å²	83	52.7 Å²	52.7	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-24	176.7	-72.3	174.9	61.5	-150.6	-6.8	113.9	G355 R357 I361 D413 K414 A415 T544	G355-R359 WeakPolarHBondContact O-CG 3.15Å; G355-R359 PolarHBondContact O-N 3.19Å; R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 2.93Å; R359-I361 VanDerWaalsContact C-N 3.26Å; R359-I361 PolarHBondContact O-N 3.35Å; R359-D413 PolarHBondContact NE-O 3.31Å; R359-K414 WeakPolarHBondContact CD-O 3.48Å; R359-K414 VanDerWaalsContact CG-O 3.22Å; R359-K414 WeakPolarHBondContact CG-O 3.14Å; R359-A415 HydrophobicContact CG-CB 4.23Å; R359-T544 WeakPolarHBondContact CD-O 3.19Å; R359-T544 WeakPolarHBondContact CD-OG1 3.42Å
360	T	90.3	Very high	91	Very high	114 Å²	114	51.6 Å²	51.6	70%	0.699	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.5	177.7	69.2	0	0	0	0	113.2	R357 L358	R357-T360 PolarHBondContact O-N 3.45Å; R357-T360 PolarHBondContact O-OG1 3.27Å; L358-T360 PolarHBondContact O-N 3.1Å
361	I	89.6	Confident	91	Very high	30 Å²	30	51 Å²	51	15%	0.154	26%	0.264	C	S	.	.			trans	-97.5	129.5	-179.8	-58.4	173.2	0	0	0	108.1	L358 R359 D366 R367 R370	L358-I361 HydrophobicContact CD2-CD1 4.5Å; L358-I361 PolarHBondContact O-N 3.31Å; L358-I361 VanDerWaalsContact O-N 3.13Å; R359-I361 VanDerWaalsContact C-N 3.26Å; R359-I361 PolarHBondContact O-N 3.35Å; I361-D366 HydrophobicContact CG2-CB 3.52Å; I361-R367 HydrophobicContact CB-CG 3.78Å; I361-R367 HydrophobicContact CG2-CG 3.83Å; I361-R367 VanDerWaalsContact O-CZ 3.22Å; I361-R367 PolarHBondContact O-NE 3.04Å; I361-R367 PolarHBondContact O-NH2 3.39Å; I361-R370 HydrophobicContact CD1-CB 3.66Å; I361-R370 HydrophobicContact CD1-CG 3.74Å
362	C	83.9	Confident	90.9	Very high	127 Å²	127	51.3 Å²	51.3	86%	0.858	27%	0.266	S	S	*	.			trans	-79.5	-41.5	-178.1	-60.5	0	0	0	0	112.3
363	N	84.1	Confident	90.9	Very high	70 Å²	70	52.2 Å²	52.2	37%	0.374	28%	0.275	S	S	.	.			trans	-87.3	142	-172.7	-170.1	25.5	0	0	0	113.1	E365 D366 R367	N363-E365 VanDerWaalsContact CG-OE2 3.25Å; N363-E365 PolarHBondContact ND2-OE2 3.4Å; N363-E365 PolarHBondContact OD1-OE2 3.03Å; N363-D366 HydrophobicContact CB-CB 4.17Å; N363-D366 WeakPolarHBondContact CB-OD2 3.36Å; N363-R367 VanDerWaalsContact O-CG 3.3Å; N363-R367 WeakPolarHBondContact O-CG 3.48Å; N363-R367 PolarHBondContact O-N 3.14Å
364	R	79.7	Confident	90.8	Very high	66 Å²	66	51.6 Å²	51.6	25%	0.249	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-40.2	-175.9	-168.7	-168.3	64.5	74.1	6.5	112.6	D366 R367 S368 N410 P507	R364-D366 VanDerWaalsContact C-N 3.31Å; R364-R367 WeakPolarHBondContact O-CB 3.17Å; R364-R367 PolarHBondContact O-N 2.99Å; R364-S368 PolarHBondContact O-N 3.18Å; R364-S368 PolarHBondContact O-OG 3.41Å; R364-N410 WeakPolarHBondContact CD-OD1 3.33Å; R364-P507 VanDerWaalsContact CZ-CG 3.42Å
365	E	84.2	Confident	90.8	Very high	87 Å²	87	51.6 Å²	51.6	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-39.2	176.8	-65.5	71.8	-145.5	0	0	111	N363 S368 S369	N363-E365 VanDerWaalsContact CG-OE2 3.25Å; N363-E365 PolarHBondContact ND2-OE2 3.4Å; N363-E365 PolarHBondContact OD1-OE2 3.03Å; E365-S368 PolarHBondContact O-N 2.8Å; E365-S369 PolarHBondContact O-N 3.35Å; E365-S369 PolarHBondContact O-OG 3.03Å
366	D	90.3	Very high	90.8	Very high	91 Å²	91	52.1 Å²	52.1	49%	0.487	27%	0.272	S	S	.	.	H	α-helix	trans	-67.2	-40.5	176.2	-65.4	-18.3	0	0	0	111.5	I361 N363 R364 S368 S369 R370	I361-D366 HydrophobicContact CG2-CB 3.52Å; N363-D366 HydrophobicContact CB-CB 4.17Å; N363-D366 WeakPolarHBondContact CB-OD2 3.36Å; R364-D366 VanDerWaalsContact C-N 3.31Å; D366-S368 VanDerWaalsContact C-N 3.32Å; D366-S368 PolarHBondContact O-N 2.89Å; D366-S369 PolarHBondContact O-N 3.09Å; D366-R370 VanDerWaalsContact O-CB 3.27Å; D366-R370 WeakPolarHBondContact O-CB 3.27Å; D366-R370 PolarHBondContact O-N 3.23Å
367	R	90.4	Very high	90.7	Very high	22 Å²	22	50.5 Å²	50.5	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-45.9	172.3	-75.7	174	-175	174.1	2.1	110.9	L358 I361 N363 R364 R370 L371 V408 S411 K412	L358-R367 HydrophobicContact CD2-CB 4.41Å; L358-R367 VanDerWaalsContact CD2-O 3.29Å; L358-R367 WeakPolarHBondContact CD2-O 3.43Å; L358-R367 PolarHBondContact O-NE 3.42Å; I361-R367 HydrophobicContact CB-CG 3.78Å; I361-R367 HydrophobicContact CG2-CG 3.83Å; I361-R367 VanDerWaalsContact O-CZ 3.22Å; I361-R367 PolarHBondContact O-NE 3.04Å; I361-R367 PolarHBondContact O-NH2 3.39Å; N363-R367 VanDerWaalsContact O-CG 3.3Å; N363-R367 WeakPolarHBondContact O-CG 3.48Å; N363-R367 PolarHBondContact O-N 3.14Å; R364-R367 WeakPolarHBondContact O-CB 3.17Å; R364-R367 PolarHBondContact O-N 2.99Å; R367-R370 PolarHBondContact O-N 3.21Å; R367-L371 WeakPolarHBondContact O-CB 3.44Å; R367-L371 PolarHBondContact O-N 2.88Å; R367-V408 HydrophobicContact CB-CB 4.47Å; R367-V408 HydrophobicContact CB-CG1 4.26Å; R367-V408 HydrophobicContact CB-CG2 4.15Å; R367-S411 PolarHBondContact NH1-O 3.46Å; R367-K412 PolarHBondContact NH2-O 3.45Å
368	S	89.5	Confident	90.7	Very high	38 Å²	38	46.8 Å²	46.8	27%	0.266	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-45.3	-179.1	-54.8	0	0	0	0	111.6	R364 E365 D366 R370 L371 A372	R364-S368 PolarHBondContact O-N 3.18Å; R364-S368 PolarHBondContact O-OG 3.41Å; E365-S368 PolarHBondContact O-N 2.8Å; D366-S368 VanDerWaalsContact C-N 3.32Å; D366-S368 PolarHBondContact O-N 2.89Å; S368-R370 PolarHBondContact O-N 2.74Å; S368-L371 PolarHBondContact O-N 3.37Å; S368-A372 PolarHBondContact O-N 3.17Å
369	S	91.6	Very high	90.8	Very high	54 Å²	54	48 Å²	48	38%	0.378	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-40.7	176.4	-57.2	0	0	0	0	111.9	E365 D366 A372 A373	E365-S369 PolarHBondContact O-N 3.35Å; E365-S369 PolarHBondContact O-OG 3.03Å; D366-S369 PolarHBondContact O-N 3.09Å; S369-A372 PolarHBondContact O-N 3.24Å; S369-A373 PolarHBondContact O-N 3.42Å; S369-A373 VanDerWaalsContact O-N 3.12Å
370	R	94.3	Very high	90.9	Very high	92 Å²	92	46.8 Å²	46.8	35%	0.347	26%	0.259	S	S	.	.	H	α-helix	trans	-66.4	-42.5	176.2	-179.1	58.5	175.7	-100.5	3.2	112	L358 I361 D366 R367 S368 A372 A373 E374	L358-R370 HydrophobicContact CD2-CB 4.04Å; L358-R370 HydrophobicContact CD2-CG 4.02Å; I361-R370 HydrophobicContact CD1-CB 3.66Å; I361-R370 HydrophobicContact CD1-CG 3.74Å; D366-R370 VanDerWaalsContact O-CB 3.27Å; D366-R370 WeakPolarHBondContact O-CB 3.27Å; D366-R370 PolarHBondContact O-N 3.23Å; R367-R370 PolarHBondContact O-N 3.21Å; S368-R370 PolarHBondContact O-N 2.74Å; R370-A372 VanDerWaalsContact C-N 3.34Å; R370-A372 PolarHBondContact O-N 3.08Å; R370-A373 PolarHBondContact O-N 2.67Å; R370-E374 HydrophobicContact CG-CG 4.23Å; R370-E374 IonicContact CZ-OE1 3.36Å; R370-E374 IonicContact NE-OE1 3.05Å; R370-E374 PolarHBondContact NE-OE1 3.45Å; R370-E374 IonicContact NH2-OE1 3.87Å; R370-E374 PolarHBondContact NH2-OE1 2.72Å; R370-E374 VanDerWaalsContact O-CG 3.25Å; R370-E374 WeakPolarHBondContact O-CG 3.39Å; R370-E374 PolarHBondContact O-N 3.24Å
371	L	95	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.9	-50.1	176.1	174.7	62	0	0	0	110.2	I354 L358 R367 S368 A373 E374 L375 V408 Y417 L419	I354-L371 HydrophobicContact CG2-CD1 3.93Å; L358-L371 HydrophobicContact CD1-CB 4.2Å; L358-L371 HydrophobicContact CD1-CD1 4.11Å; L358-L371 HydrophobicContact CD2-CB 4.19Å; R367-L371 WeakPolarHBondContact O-CB 3.44Å; R367-L371 PolarHBondContact O-N 2.88Å; S368-L371 PolarHBondContact O-N 3.37Å; L371-A373 VanDerWaalsContact C-N 3.33Å; L371-A373 PolarHBondContact O-N 3.06Å; L371-E374 PolarHBondContact O-N 3.32Å; L371-L375 HydrophobicContact CD1-CD1 3.87Å; L371-L375 HydrophobicContact CD1-CD2 4.33Å; L371-L375 HydrophobicContact CD1-CG 3.88Å; L371-L375 HydrophobicContact CG-CD1 3.93Å; L371-L375 HydrophobicContact CG-CG 4.32Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 VanDerWaalsContact O-CG 3.28Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 3.18Å; L371-V408 HydrophobicContact CB-CG2 4.28Å; L371-V408 HydrophobicContact CD2-CG2 3.76Å; L371-Y417 HydrophobicContact CD1-CD2 3.71Å; L371-Y417 HydrophobicContact CD1-CE2 3.95Å; L371-Y417 HydrophobicContact CD1-CG 4.34Å; L371-Y417 HydrophobicContact CD2-CD2 4.15Å; L371-Y417 HydrophobicContact CD2-CG 4.44Å; L371-L419 HydrophobicContact CD1-CD2 4.28Å
372	A	94.5	Very high	91.2	Very high	8 Å²	8	41.1 Å²	41.1	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-44.2	177.9	0	0	0	0	0	112.3	S368 S369 R370 L375 A376 P403	S368-A372 PolarHBondContact O-N 3.17Å; S369-A372 PolarHBondContact O-N 3.24Å; R370-A372 VanDerWaalsContact C-N 3.34Å; R370-A372 PolarHBondContact O-N 3.08Å; A372-L375 PolarHBondContact O-N 3.45Å; A372-A376 WeakPolarHBondContact O-CB 3.25Å; A372-A376 PolarHBondContact O-N 2.99Å; A372-P403 HydrophobicContact CB-CB 4.48Å; A372-P403 WeakPolarHBondContact O-CB 3.48Å
373	A	93.9	Very high	91.5	Very high	34 Å²	34	36.4 Å²	36.4	28%	0.281	19%	0.193	S	C	.	.	H	α-helix	trans	-63.6	-42.6	177.9	0	0	0	0	0	113.2	S369 R370 L371 A376 M377	S369-A373 PolarHBondContact O-N 3.42Å; S369-A373 VanDerWaalsContact O-N 3.12Å; R370-A373 PolarHBondContact O-N 2.67Å; L371-A373 VanDerWaalsContact C-N 3.33Å; L371-A373 PolarHBondContact O-N 3.06Å; A373-A376 PolarHBondContact O-N 2.67Å; A373-M377 PolarHBondContact O-N 3.22Å
374	E	94.6	Very high	91.8	Very high	15 Å²	15	33.5 Å²	33.5	7%	0.07	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-41.6	178.3	-67.7	-83.6	177.5	0	0	111.7	I354 R357 R370 L371 A376 M377 L378	I354-E374 HydrophobicContact CD1-CB 3.98Å; I354-E374 HydrophobicContact CG1-CB 3.97Å; I354-E374 HydrophobicContact CG1-CG 4.44Å; I354-E374 HydrophobicContact CG2-CB 4.28Å; R357-E374 IonicContact CZ-OE1 3.29Å; R357-E374 IonicContact CZ-OE2 3.14Å; R357-E374 IonicContact NE-OE1 3.02Å; R357-E374 PolarHBondContact NE-OE1 3.29Å; R357-E374 IonicContact NE-OE2 2.95Å; R357-E374 PolarHBondContact NE-OE2 3.14Å; R357-E374 IonicContact NH2-OE1 3.11Å; R357-E374 IonicContact NH2-OE2 3.25Å; R357-E374 PolarHBondContact NH2-OE2 2.95Å; R370-E374 HydrophobicContact CG-CG 4.23Å; R370-E374 IonicContact CZ-OE1 3.36Å; R370-E374 IonicContact NE-OE1 3.05Å; R370-E374 PolarHBondContact NE-OE1 3.45Å; R370-E374 IonicContact NH2-OE1 3.87Å; R370-E374 PolarHBondContact NH2-OE1 2.72Å; R370-E374 VanDerWaalsContact O-CG 3.25Å; R370-E374 WeakPolarHBondContact O-CG 3.39Å; R370-E374 PolarHBondContact O-N 3.24Å; L371-E374 PolarHBondContact O-N 3.32Å; E374-A376 VanDerWaalsContact C-N 3.31Å; E374-A376 PolarHBondContact O-N 3.2Å; E374-M377 PolarHBondContact O-N 3.11Å; E374-L378 PolarHBondContact O-N 2.73Å
375	L	95.6	Very high	92.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-36.9	175.5	-68.6	178.9	0	0	0	111.8	I354 L371 A372 L378 N379 I401 P403 L419	I354-L375 HydrophobicContact CD1-CD2 4.46Å; L371-L375 HydrophobicContact CD1-CD1 3.87Å; L371-L375 HydrophobicContact CD1-CD2 4.33Å; L371-L375 HydrophobicContact CD1-CG 3.88Å; L371-L375 HydrophobicContact CG-CD1 3.93Å; L371-L375 HydrophobicContact CG-CG 4.32Å; L371-L375 WeakPolarHBondContact O-CB 3.43Å; L371-L375 VanDerWaalsContact O-CG 3.28Å; L371-L375 WeakPolarHBondContact O-CG 3.38Å; L371-L375 PolarHBondContact O-N 3.18Å; A372-L375 PolarHBondContact O-N 3.45Å; L375-L378 PolarHBondContact O-N 2.95Å; L375-N379 PolarHBondContact O-N 3.01Å; L375-N379 PolarHBondContact O-ND2 2.8Å; L375-I401 HydrophobicContact CD1-CG2 4.31Å; L375-I401 HydrophobicContact CD2-CG2 4.03Å; L375-P403 HydrophobicContact CB-CB 4.08Å; L375-P403 HydrophobicContact CB-CG 4.39Å; L375-L419 HydrophobicContact CD1-CD2 3.73Å; L375-L419 HydrophobicContact CD2-CD2 3.94Å; L375-L419 HydrophobicContact CG-CD2 4.42Å
376	A	93.9	Very high	92.6	Very high	12 Å²	12	28.7 Å²	28.7	10%	0.099	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-40	175	0	0	0	0	0	112.6	A372 A373 E374 N379 P403 V467 L471	A372-A376 WeakPolarHBondContact O-CB 3.25Å; A372-A376 PolarHBondContact O-N 2.99Å; A373-A376 PolarHBondContact O-N 2.67Å; E374-A376 VanDerWaalsContact C-N 3.31Å; E374-A376 PolarHBondContact O-N 3.2Å; A376-N379 PolarHBondContact O-N 2.6Å; A376-P403 HydrophobicContact CB-CB 4.47Å; A376-P403 HydrophobicContact CB-CG 4.13Å; A376-V467 HydrophobicContact CB-CG1 4.37Å; A376-L471 HydrophobicContact CB-CD1 3.23Å; A376-L471 HydrophobicContact CB-CD2 4.18Å; A376-L471 HydrophobicContact CB-CG 4.33Å
377	M	92.5	Very high	92.8	Very high	38 Å²	38	25 Å²	25	19%	0.187	14%	0.136	C	C	.	.	H	α-helix	trans	-64.6	-40.6	172.7	-71.2	-173.8	60	0	0	111.9	L304 A373 E374 N379 L380 N381	L304-M377 HydrophobicContact CB-CE 4.33Å; A373-M377 PolarHBondContact O-N 3.22Å; E374-M377 PolarHBondContact O-N 3.11Å; M377-N379 VanDerWaalsContact C-N 3.32Å; M377-N379 PolarHBondContact O-N 3.07Å; M377-L380 WeakPolarHBondContact O-CB 3.44Å; M377-L380 PolarHBondContact O-N 2.87Å; M377-N381 PolarHBondContact O-ND2 2.96Å; M377-N381 VanDerWaalsContact O-ND2 3.17Å
378	L	94.6	Very high	93.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-43.2	176.9	-174.6	159.1	0	0	0	111.3	F310 F347 L351 I354 E374 L375 L380 N381 L382 I401	F310-L378 HydrophobicContact CE2-CG 4.43Å; F310-L378 HydrophobicContact CZ-CG 4.33Å; F347-L378 HydrophobicContact CE2-CD1 4.39Å; F347-L378 HydrophobicContact CE2-CD2 4.14Å; L351-L378 HydrophobicContact CD2-CD1 3.84Å; I354-L378 HydrophobicContact CD1-CD1 4.24Å; E374-L378 PolarHBondContact O-N 2.73Å; L375-L378 PolarHBondContact O-N 2.95Å; L378-L380 PolarHBondContact O-N 3.13Å; L378-L380 VanDerWaalsContact O-N 3.13Å; L378-N381 WeakPolarHBondContact O-CB 3.5Å; L378-N381 PolarHBondContact O-N 3.21Å; L378-L382 HydrophobicContact CD2-CD1 3.43Å; L378-L382 VanDerWaalsContact CD2-CD1 3.43Å; L378-L382 HydrophobicContact CD2-CG 3.95Å; L378-I401 HydrophobicContact CD2-CD1 3.78Å; L378-I401 HydrophobicContact CD2-CG1 4.43Å
379	N	94.6	Very high	93.3	Very high	28 Å²	28	22.1 Å²	22.1	15%	0.15	12%	0.12	C	C	.	.	H	α-helix	trans	-60.5	-20.7	177.7	-78.3	-63.1	0	0	0	114.5	L375 A376 M377 N381 L382 R400 I401	L375-N379 PolarHBondContact O-N 3.01Å; L375-N379 PolarHBondContact O-ND2 2.8Å; A376-N379 PolarHBondContact O-N 2.6Å; M377-N379 VanDerWaalsContact C-N 3.32Å; M377-N379 PolarHBondContact O-N 3.07Å; N379-N381 PolarHBondContact O-N 2.69Å; N379-L382 PolarHBondContact O-N 3.08Å; N379-L382 VanDerWaalsContact O-N 3.16Å; N379-R400 WeakPolarHBondContact OD1-CA 3.4Å; N379-I401 PolarHBondContact ND2-O 2.75Å; N379-I401 PolarHBondContact OD1-N 3.38Å
380	L	91.7	Very high	93.4	Very high	56 Å²	56	19.9 Å²	19.9	29%	0.293	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.4	173.1	-57.6	175.1	0	0	0	112.7	G307 M377 L378 A464 V467	G307-L380 VanDerWaalsContact CA-O 3.26Å; G307-L380 WeakPolarHBondContact CA-O 3.31Å; M377-L380 WeakPolarHBondContact O-CB 3.44Å; M377-L380 PolarHBondContact O-N 2.87Å; L378-L380 PolarHBondContact O-N 3.13Å; L378-L380 VanDerWaalsContact O-N 3.13Å; L380-A464 HydrophobicContact CD1-CB 4.43Å; L380-V467 HydrophobicContact CD1-CG2 4.17Å; L380-V467 HydrophobicContact CD2-CG2 3.75Å
381	N	93.2	Very high	93.4	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.048	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	8.6	-178.1	-55	-90.8	0	0	0	111.6	L304 G307 R308 A309 F310 M377 L378 N379	L304-N381 WeakPolarHBondContact CA-ND2 3.36Å; L304-N381 PolarHBondContact O-ND2 3.36Å; G307-N381 WeakPolarHBondContact CA-OD1 3.2Å; G307-N381 PolarHBondContact N-OD1 3.27Å; R308-N381 PolarHBondContact N-OD1 3.45Å; A309-N381 HydrophobicContact CB-CB 4.06Å; A309-N381 WeakPolarHBondContact CB-OD1 3.27Å; A309-N381 PolarHBondContact N-OD1 3.3Å; F310-N381 HydrophobicContact CD2-CB 3.74Å; F310-N381 WeakPolarHBondContact CD2-O 3.42Å; F310-N381 HydrophobicContact CE2-CB 3.67Å; F310-N381 HydrophobicContact CZ-CB 4.47Å; M377-N381 PolarHBondContact O-ND2 2.96Å; M377-N381 VanDerWaalsContact O-ND2 3.17Å; L378-N381 WeakPolarHBondContact O-CB 3.5Å; L378-N381 PolarHBondContact O-N 3.21Å; N379-N381 PolarHBondContact O-N 2.69Å
382	L	92.9	Very high	93	Very high	17 Å²	17	18.1 Å²	18.1	9%	0.089	10%	0.102	C	C	.	.			trans	-114.8	147.9	175.9	-63.9	177	0	0	0	109.9	F310 L378 N379 A384 V386 I398 I401	F310-L382 HydrophobicContact CD2-CD2 4.24Å; F310-L382 HydrophobicContact CE2-CD2 4.27Å; L378-L382 HydrophobicContact CD2-CD1 3.43Å; L378-L382 VanDerWaalsContact CD2-CD1 3.43Å; L378-L382 HydrophobicContact CD2-CG 3.95Å; N379-L382 PolarHBondContact O-N 3.08Å; N379-L382 VanDerWaalsContact O-N 3.16Å; L382-A384 HydrophobicContact CD2-CB 4.21Å; L382-V386 HydrophobicContact CD2-CG2 3.95Å; L382-I398 HydrophobicContact CD1-CG2 3.79Å; L382-I398 HydrophobicContact CD2-CB 4.45Å; L382-I398 HydrophobicContact CD2-CG2 4.08Å; L382-I401 HydrophobicContact CD1-CD1 4.33Å; L382-I401 HydrophobicContact CD1-CG1 3.98Å
383	P	91.6	Very high	92.6	Very high	28 Å²	28	24.4 Å²	24.4	18%	0.182	13%	0.13	C	C	.	.	S	Bend	cis	-70.7	150.4	1.8	30.5	-35.9	0	0	0	112.5	V399 F433 Y529	P383-V399 HydrophobicContact CB-CB 4.35Å; P383-V399 HydrophobicContact CB-CG1 4.17Å; P383-F433 HydrophobicContact CB-CD2 3.87Å; P383-F433 HydrophobicContact CB-CE2 4.5Å; P383-F433 HydrophobicContact CB-CG 4.42Å; P383-F433 HydrophobicContact CG-CD2 3.56Å; P383-F433 HydrophobicContact CG-CE2 3.78Å; P383-Y529 WeakPolarHBondContact CD-OH 3.22Å
384	A	88.4	Confident	92.5	Very high	9 Å²	9	24 Å²	24	7%	0.074	12%	0.123	C	C	.	.			trans	-145.4	168.5	175.7	0	0	0	0	0	111.1	F310 L382 V386 I398	F310-A384 HydrophobicContact CB-CB 3.82Å; F310-A384 HydrophobicContact CD2-CB 4.12Å; F310-A384 HydrophobicContact CG-CB 4.46Å; L382-A384 HydrophobicContact CD2-CB 4.21Å; A384-V386 HydrophobicContact CB-CG1 4.24Å; A384-V386 HydrophobicContact CB-CG2 4.07Å; A384-V386 PolarHBondContact O-N 3.06Å; A384-I398 PolarHBondContact N-O 2.75Å
385	R	87.9	Confident	92.3	Very high	52 Å²	52	25 Å²	25	20%	0.196	13%	0.131	C	C	.	.	S	Bend	trans	-78.5	61.8	175	-67.8	-174.7	-61.9	170.9	2.9	111.5	N312 H317 F433	N312-R385 PolarHBondContact ND2-NH2 2.72Å; N312-R385 PolarHBondContact OD1-NH2 3.21Å; H317-R385 PolarHBondContact CD2-NH1 3.17Å; H317-R385 PolarHBondContact NE2-NH1 3.24Å; R385-F433 HydrophobicContact CG-CD1 4.38Å
386	V	93.4	Very high	92.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.			trans	-132.6	151.2	-179.3	-58.1	0	0	0	0	108.9	F310 P343 E344 F347 L382 A384 H397 I398	F310-V386 HydrophobicContact CB-CG1 4.04Å; F310-V386 HydrophobicContact CG-CG1 4.32Å; P343-V386 HydrophobicContact CB-CG1 4.03Å; P343-V386 WeakPolarHBondContact O-CG1 3.31Å; E344-V386 WeakPolarHBondContact OE2-CA 3.45Å; E344-V386 WeakPolarHBondContact OE2-CB 3.4Å; F347-V386 HydrophobicContact CB-CB 4.07Å; F347-V386 HydrophobicContact CB-CG1 3.83Å; F347-V386 HydrophobicContact CB-CG2 4.47Å; F347-V386 HydrophobicContact CD1-CB 4.15Å; F347-V386 HydrophobicContact CD1-CG2 4.34Å; F347-V386 HydrophobicContact CD2-CB 4.45Å; F347-V386 HydrophobicContact CD2-CG2 3.99Å; F347-V386 HydrophobicContact CE2-CG2 4.33Å; F347-V386 HydrophobicContact CG-CB 3.97Å; F347-V386 HydrophobicContact CG-CG1 4.25Å; F347-V386 HydrophobicContact CG-CG2 4.01Å; L382-V386 HydrophobicContact CD2-CG2 3.95Å; A384-V386 HydrophobicContact CB-CG1 4.24Å; A384-V386 HydrophobicContact CB-CG2 4.07Å; A384-V386 PolarHBondContact O-N 3.06Å; V386-H397 WeakPolarHBondContact O-CA 3.28Å; V386-I398 HydrophobicContact CG2-CB 4.11Å; V386-I398 HydrophobicContact CG2-CD1 4.31Å; V386-I398 PolarHBondContact O-N 3.17Å
387	W	95.3	Very high	92.2	Very high	12 Å²	12	24.5 Å²	24.5	5%	0.045	13%	0.126	C	C	.	.			trans	-136.7	178.7	-178	59.1	94.7	0	0	0	110.6	V202 E203 E344 P389 H396 K429	V202-W387 HydrophobicContact CB-CH2 3.84Å; V202-W387 HydrophobicContact CB-CZ2 4.17Å; V202-W387 HydrophobicContact CG1-CH2 3.5Å; V202-W387 VanDerWaalsContact CG1-CH2 3.5Å; V202-W387 HydrophobicContact CG1-CZ2 3.85Å; E203-W387 HydrophobicContact CB-CZ2 4.04Å; E203-W387 PolarHBondContact OE2-NE1 2.97Å; E344-W387 HydrophobicContact CB-CH2 4.24Å; E344-W387 HydrophobicContact CB-CZ2 4.47Å; E344-W387 HydrophobicContact CB-CZ3 4.47Å; E344-W387 HydrophobicContact CG-CD2 4.46Å; E344-W387 HydrophobicContact CG-CH2 4.19Å; E344-W387 HydrophobicContact CG-CZ2 3.93Å; E344-W387 VanDerWaalsContact OE1-O 3.07Å; E344-W387 PolarHBondContact OE2-N 3.45Å; W387-P389 WeakPolarHBondContact O-CD 3.37Å; W387-H396 WeakPolarHBondContact CB-O 3.49Å; W387-K429 HydrophobicContact CD2-CD 3.92Å; W387-K429 HydrophobicContact CD2-CG 4.45Å; W387-K429 HydrophobicContact CE3-CB 4.36Å; W387-K429 HydrophobicContact CE3-CD 4.25Å; W387-K429 HydrophobicContact CE3-CG 4.39Å; W387-K429 HydrophobicContact CG-CD 4.32Å; W387-K429 HydrophobicContact CH2-CD 4.47Å; W387-K429 HydrophobicContact CZ2-CD 4.15Å; W387-K429 HydrophobicContact CZ3-CB 4.28Å
388	L	96.1	Very high	92.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.			trans	-97.3	110.7	168.5	-71.3	-178.1	0	0	0	108.9	F347 I390 Y391 H396 I398 V421 L538 V540	F347-L388 HydrophobicContact CE1-CD2 4.24Å; L388-I390 HydrophobicContact CB-CG2 4.29Å; L388-I390 PolarHBondContact O-N 3.46Å; L388-Y391 HydrophobicContact CB-CD2 3.94Å; L388-Y391 HydrophobicContact CD1-CD2 3.91Å; L388-Y391 HydrophobicContact CD1-CE2 4.16Å; L388-Y391 PolarHBondContact O-N 2.96Å; L388-H396 PolarHBondContact N-NE2 3.05Å; L388-I398 HydrophobicContact CD2-CD1 3.99Å; L388-I398 HydrophobicContact CG-CD1 3.95Å; L388-V421 HydrophobicContact CD1-CB 3.86Å; L388-V421 HydrophobicContact CD1-CG1 4.1Å; L388-V421 HydrophobicContact CD1-CG2 3.95Å; L388-V421 HydrophobicContact CD2-CG2 4.41Å; L388-V421 HydrophobicContact CG-CG1 4.32Å; L388-L538 HydrophobicContact CD1-CB 3.8Å; L388-L538 HydrophobicContact CD1-CD1 4.22Å; L388-V540 HydrophobicContact CD1-CB 4.28Å; L388-V540 HydrophobicContact CD1-CG1 4.08Å; L388-V540 HydrophobicContact CD2-CG1 4.2Å
389	P	93.9	Very high	92.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.5	-176	-21.4	30.6	0	0	0	115.3	K207 W210 E344 V348 W387 S392 L580	K207-P389 VanDerWaalsContact CE-O 3.3Å; K207-P389 WeakPolarHBondContact CE-O 3.05Å; K207-P389 PolarHBondContact NZ-O 3.2Å; W210-P389 HydrophobicContact CH2-CB 4.45Å; W210-P389 HydrophobicContact CH2-CG 3.89Å; W210-P389 HydrophobicContact CZ3-CB 4.12Å; W210-P389 HydrophobicContact CZ3-CG 4.05Å; E344-P389 WeakPolarHBondContact OE1-CD 3.35Å; E344-P389 WeakPolarHBondContact OE1-CG 3.3Å; V348-P389 HydrophobicContact CG2-CG 4.19Å; W387-P389 WeakPolarHBondContact O-CD 3.37Å; P389-S392 PolarHBondContact O-OG 3.17Å; P389-L580 HydrophobicContact CB-CD2 3.81Å; P389-L580 HydrophobicContact CG-CD2 4.28Å
390	I	94.4	Very high	92.4	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.036	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.1	173	-160.5	168	0	0	0	112	L388 V540 K578 M588 E590	L388-I390 HydrophobicContact CB-CG2 4.29Å; L388-I390 PolarHBondContact O-N 3.46Å; I390-V540 HydrophobicContact CG2-CG2 4.45Å; I390-K578 HydrophobicContact CD1-CB 4Å; I390-K578 HydrophobicContact CG1-CB 3.57Å; I390-K578 HydrophobicContact CG1-CD 4.45Å; I390-K578 WeakPolarHBondContact O-CD 3.46Å; I390-M588 HydrophobicContact CD1-CB 4.42Å; I390-E590 HydrophobicContact CD1-CB 3.86Å
391	Y	94.3	Very high	92.7	Very high	16 Å²	16	21.9 Å²	21.9	6%	0.063	11%	0.108	C	C	.	.			trans	-104.7	55.9	179.5	-68.8	-68.6	0	0	0	111.6	L388 E393 F394 H396 L538 P539 E590	L388-Y391 HydrophobicContact CB-CD2 3.94Å; L388-Y391 HydrophobicContact CD1-CD2 3.91Å; L388-Y391 HydrophobicContact CD1-CE2 4.16Å; L388-Y391 PolarHBondContact O-N 2.96Å; Y391-E393 VanDerWaalsContact C-N 3.29Å; Y391-E393 PolarHBondContact O-N 3.34Å; Y391-F394 HydrophobicContact CD1-CE1 4.31Å; Y391-F394 HydrophobicContact CD1-CZ 4.42Å; Y391-F394 HydrophobicContact CG-CZ 4.37Å; Y391-H396 PolarHBondContact O-CE1 3.15Å; Y391-H396 VanDerWaalsContact O-CE1 3.27Å; Y391-L538 HydrophobicContact CD2-CB 4.02Å; Y391-L538 HydrophobicContact CD2-CD1 4Å; Y391-L538 HydrophobicContact CD2-CD2 4.49Å; Y391-L538 HydrophobicContact CD2-CG 4.39Å; Y391-L538 HydrophobicContact CE2-CB 3.88Å; Y391-L538 HydrophobicContact CG-CD1 4.27Å; Y391-L538 HydrophobicContact CG-CD2 4.49Å; Y391-P539 WeakPolarHBondContact CE2-O 3.43Å; Y391-P539 WeakPolarHBondContact OH-CD 3.45Å; Y391-P539 PolarHBondContact OH-O 2.98Å; Y391-E590 WeakPolarHBondContact CE1-OE1 3.37Å; Y391-E590 PolarHBondContact OH-OE1 3.04Å
392	S	86.6	Confident	92.8	Very high	38 Å²	38	22 Å²	22	27%	0.266	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.2	-176.3	-55.7	0	0	0	0	115.5	E203 K207 P389 F394	E203-S392 WeakPolarHBondContact OE1-CB 3.25Å; E203-S392 PolarHBondContact OE1-OG 3.4Å; E203-S392 PolarHBondContact OE2-OG 3.3Å; K207-S392 PolarHBondContact NZ-OG 3Å; P389-S392 PolarHBondContact O-OG 3.17Å; S392-F394 PolarHBondContact O-N 3.2Å
393	E	85.8	Confident	92.8	Very high	140 Å²	140	22.2 Å²	22.2	65%	0.654	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.8	-172.5	-47.6	-78.2	-177.4	0	0	112.9	Y391 K578	Y391-E393 VanDerWaalsContact C-N 3.29Å; Y391-E393 PolarHBondContact O-N 3.34Å; E393-K578 WeakPolarHBondContact OE1-CE 3.41Å; E393-K578 IonicContact OE1-NZ 3.29Å; E393-K578 PolarHBondContact OE1-NZ 3.43Å
394	F	90.6	Very high	92.7	Very high	26 Å²	26	27.5 Å²	27.5	11%	0.114	14%	0.139	C	C	.	.	S	Bend	trans	-136.3	138.5	179.2	58.3	-88	0	0	0	110.6	Y391 S392 H396 E425 L538	Y391-F394 HydrophobicContact CD1-CE1 4.31Å; Y391-F394 HydrophobicContact CD1-CZ 4.42Å; Y391-F394 HydrophobicContact CG-CZ 4.37Å; S392-F394 PolarHBondContact O-N 3.2Å; F394-H396 HydrophobicContact CD2-CB 4.03Å; F394-H396 AromaticContact CD2-ND1 3.7Å; F394-H396 HydrophobicContact CE2-CB 3.96Å; F394-H396 AromaticContact CE2-CG 3.77Å; F394-H396 AromaticContact CE2-ND1 3.46Å; F394-H396 WeakPolarHBondContact CE2-ND1 3.43Å; F394-H396 PolarHBondContact O-ND1 2.84Å; F394-E425 HydrophobicContact CD2-CG 4.44Å; F394-L538 HydrophobicContact CE2-CD1 4.2Å; F394-L538 HydrophobicContact CE2-CD2 4.3Å; F394-L538 HydrophobicContact CZ-CD1 4.06Å; F394-L538 HydrophobicContact CZ-CD2 3.66Å
395	P	91.2	Very high	92.8	Very high	37 Å²	37	28 Å²	28	24%	0.24	14%	0.143	C	C	.	.			trans	-69.6	133	175.4	-0.5	15.3	0	0	0	109.8	E425 V426 S427 K429	P395-E425 WeakPolarHBondContact O-CA 3.45Å; P395-V426 HydrophobicContact CB-CG2 3.94Å; P395-V426 VanDerWaalsContact CB-O 3.26Å; P395-V426 WeakPolarHBondContact CB-O 3.2Å; P395-V426 WeakPolarHBondContact CG-O 3.18Å; P395-V426 PolarHBondContact O-N 2.84Å; P395-S427 WeakPolarHBondContact CG-O 3.48Å; P395-K429 HydrophobicContact CB-CG 4.02Å
396	H	93.9	Very high	93	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158	178.7	60.9	-82.2	0	0	0	111.4	W387 L388 Y391 F394 A423 V424	W387-H396 WeakPolarHBondContact CB-O 3.49Å; L388-H396 PolarHBondContact N-NE2 3.05Å; Y391-H396 PolarHBondContact O-CE1 3.15Å; Y391-H396 VanDerWaalsContact O-CE1 3.27Å; F394-H396 HydrophobicContact CD2-CB 4.03Å; F394-H396 AromaticContact CD2-ND1 3.7Å; F394-H396 HydrophobicContact CE2-CB 3.96Å; F394-H396 AromaticContact CE2-CG 3.77Å; F394-H396 AromaticContact CE2-ND1 3.46Å; F394-H396 WeakPolarHBondContact CE2-ND1 3.43Å; F394-H396 PolarHBondContact O-ND1 2.84Å; H396-A423 HydrophobicContact CB-CB 4.15Å; H396-V424 CarbonylContact C-O 3.58Å; H396-V424 VanDerWaalsContact CA-O 3.22Å; H396-V424 WeakPolarHBondContact CA-O 3.15Å; H396-V424 WeakPolarHBondContact CB-O 3.42Å
397	H	93.8	Very high	92.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.2	169.9	-76	-44	0	0	0	111.1	V386 V399 A423 V424 K429 S431	V386-H397 WeakPolarHBondContact O-CA 3.28Å; H397-V399 PolarHBondContact O-N 3.41Å; H397-A423 CarbonylContact O-C 3.58Å; H397-A423 WeakPolarHBondContact O-CA 3.27Å; H397-V424 PolarHBondContact N-O 2.79Å; H397-V424 PolarHBondContact O-N 3.09Å; H397-K429 PolarHBondContact CE1-O 3.23Å; H397-K429 VanDerWaalsContact CE1-O 3.24Å; H397-S431 PolarHBondContact NE2-O 2.84Å
398	I	95.4	Very high	92.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.9	176.2	-61.4	173	0	0	0	109.1	F347 L382 A384 V386 L388 I401 V421	F347-I398 HydrophobicContact CD1-CD1 4.35Å; F347-I398 HydrophobicContact CE1-CD1 3.39Å; F347-I398 HydrophobicContact CE2-CD1 4.16Å; F347-I398 HydrophobicContact CZ-CD1 3.28Å; L382-I398 HydrophobicContact CD1-CG2 3.79Å; L382-I398 HydrophobicContact CD2-CB 4.45Å; L382-I398 HydrophobicContact CD2-CG2 4.08Å; A384-I398 PolarHBondContact N-O 2.75Å; V386-I398 HydrophobicContact CG2-CB 4.11Å; V386-I398 HydrophobicContact CG2-CD1 4.31Å; V386-I398 PolarHBondContact O-N 3.17Å; L388-I398 HydrophobicContact CD2-CD1 3.99Å; L388-I398 HydrophobicContact CG-CD1 3.95Å; I398-I401 HydrophobicContact CG2-CG1 4.25Å; I398-V421 HydrophobicContact CB-CG1 4.22Å; I398-V421 HydrophobicContact CD1-CG1 3.84Å; I398-V421 HydrophobicContact CG1-CG1 3.71Å; I398-V421 HydrophobicContact CG2-CG1 3.57Å
399	V	95.3	Very high	92.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-29.7	-179	-63.6	0	0	0	0	112.9	P383 H397 E422 V424 P434 Y529	P383-V399 HydrophobicContact CB-CB 4.35Å; P383-V399 HydrophobicContact CB-CG1 4.17Å; H397-V399 PolarHBondContact O-N 3.41Å; V399-E422 HydrophobicContact CG2-CB 3.91Å; V399-E422 WeakPolarHBondContact CG2-O 3.35Å; V399-E422 PolarHBondContact N-O 2.85Å; V399-V424 HydrophobicContact CG1-CB 4.37Å; V399-V424 HydrophobicContact CG1-CG2 3.72Å; V399-V424 HydrophobicContact CG2-CG2 4.19Å; V399-P434 HydrophobicContact CG1-CG 4.19Å; V399-Y529 HydrophobicContact CB-CD1 3.89Å; V399-Y529 HydrophobicContact CB-CD2 3.94Å; V399-Y529 HydrophobicContact CB-CE1 4Å; V399-Y529 HydrophobicContact CB-CE2 4.07Å; V399-Y529 HydrophobicContact CB-CG 3.86Å; V399-Y529 HydrophobicContact CG1-CD1 4.31Å; V399-Y529 HydrophobicContact CG1-CE1 4.46Å; V399-Y529 HydrophobicContact CG2-CD1 4.08Å; V399-Y529 HydrophobicContact CG2-CD2 3.73Å; V399-Y529 HydrophobicContact CG2-CE2 4.35Å; V399-Y529 HydrophobicContact CG2-CG 3.6Å; V399-Y529 WeakPolarHBondContact O-CE2 3.49Å
400	R	95.9	Very high	91.1	Very high	64 Å²	64	32.6 Å²	32.6	24%	0.242	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	151.4	-178.5	-174.8	170.4	176.7	-102	5	111.7	N379 E422 Y529	N379-R400 WeakPolarHBondContact OD1-CA 3.4Å; R400-E422 HydrophobicContact CB-CB 4.13Å; R400-E422 HydrophobicContact CB-CG 4.36Å; R400-E422 WeakPolarHBondContact CD-OE1 3.43Å; R400-E422 IonicContact CZ-OE1 2.99Å; R400-E422 PolarHBondContact N-O 3.49Å; R400-E422 IonicContact NE-OE1 2.64Å; R400-E422 IonicContact NH1-OE1 3.08Å; R400-E422 PolarHBondContact NH1-OE1 3.24Å; R400-E422 WeakPolarHBondContact O-CA 3.28Å; R400-E422 VanDerWaalsContact O-CB 3.31Å; R400-E422 WeakPolarHBondContact O-CB 3.34Å; R400-E422 PolarHBondContact O-N 3.03Å; R400-Y529 HydrophobicContact CB-CD2 3.9Å; R400-Y529 HydrophobicContact CB-CE2 3.9Å
401	I	96.8	Very high	90	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.19	C	C	.	.			trans	-125.1	98.5	168.3	-53.1	-177.8	0	0	0	108.1	F347 L375 L378 N379 L382 I398 P403 V421	F347-I401 HydrophobicContact CE2-CD1 4.25Å; F347-I401 HydrophobicContact CZ-CD1 4.21Å; L375-I401 HydrophobicContact CD1-CG2 4.31Å; L375-I401 HydrophobicContact CD2-CG2 4.03Å; L378-I401 HydrophobicContact CD2-CD1 3.78Å; L378-I401 HydrophobicContact CD2-CG1 4.43Å; N379-I401 PolarHBondContact ND2-O 2.75Å; N379-I401 PolarHBondContact OD1-N 3.38Å; L382-I401 HydrophobicContact CD1-CD1 4.33Å; L382-I401 HydrophobicContact CD1-CG1 3.98Å; I398-I401 HydrophobicContact CG2-CG1 4.25Å; I401-P403 WeakPolarHBondContact O-CD 3.3Å; I401-V421 HydrophobicContact CD1-CG2 4.2Å; I401-V421 HydrophobicContact CG1-CG1 4.18Å; I401-V421 HydrophobicContact CG1-CG2 4.17Å; I401-V421 HydrophobicContact CG2-CG2 4.45Å
402	P	95.6	Very high	88.4	Confident	12 Å²	12	41.5 Å²	41.5	8%	0.078	22%	0.221	C	C	.	.			trans	-49.3	109.4	179.5	-23.7	24	0	0	0	112.7	N404 A405 Y420 E422 I523	P402-N404 VanDerWaalsContact C-N 3.27Å; P402-N404 PolarHBondContact O-N 3.2Å; P402-A405 HydrophobicContact CB-CB 3.88Å; P402-A405 PolarHBondContact O-N 3.42Å; P402-A405 VanDerWaalsContact O-N 3.12Å; P402-Y420 WeakPolarHBondContact CD-O 3.21Å; P402-E422 HydrophobicContact CG-CG 4.13Å; P402-E422 VanDerWaalsContact CG-OE1 3.31Å; P402-E422 WeakPolarHBondContact CG-OE1 3.35Å; P402-I523 HydrophobicContact CG-CG2 3.78Å
403	P	92.6	Very high	87.6	Confident	22 Å²	22	45 Å²	45	14%	0.143	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.2	-35.5	-171.8	-27.2	36.3	0	0	0	113.8	A372 L375 A376 I401 A405	A372-P403 HydrophobicContact CB-CB 4.48Å; A372-P403 WeakPolarHBondContact O-CB 3.48Å; L375-P403 HydrophobicContact CB-CB 4.08Å; L375-P403 HydrophobicContact CB-CG 4.39Å; A376-P403 HydrophobicContact CB-CB 4.47Å; A376-P403 HydrophobicContact CB-CG 4.13Å; I401-P403 WeakPolarHBondContact O-CD 3.3Å; P403-A405 VanDerWaalsContact C-N 3.33Å
404	N	90	Very high	87.4	Confident	138 Å²	138	41.3 Å²	41.3	74%	0.738	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-83.4	-7.6	-176.8	-60.2	-15.3	0	0	0	113.5	P402	P402-N404 VanDerWaalsContact C-N 3.27Å; P402-N404 PolarHBondContact O-N 3.2Å
405	A	90.6	Very high	87.2	Confident	21 Å²	21	40 Å²	40	17%	0.174	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-90.6	-16.3	176.4	0	0	0	0	0	112.4	P402 P403 Y420 I523	P402-A405 HydrophobicContact CB-CB 3.88Å; P402-A405 PolarHBondContact O-N 3.42Å; P402-A405 VanDerWaalsContact O-N 3.12Å; P403-A405 VanDerWaalsContact C-N 3.33Å; A405-Y420 HydrophobicContact CB-CD2 3.87Å; A405-Y420 VanDerWaalsContact O-CD2 3.24Å; A405-Y420 WeakPolarHBondContact O-CD2 3.26Å; A405-Y420 VanDerWaalsContact O-CE2 3.24Å; A405-Y420 WeakPolarHBondContact O-CE2 3.41Å; A405-I523 HydrophobicContact CB-CD1 4.1Å
406	G	91.2	Very high	87.3	Confident	17 Å²	17	38.8 Å²	38.8	18%	0.175	21%	0.205	C	C	.	.			trans	-67.1	140.5	178.4	0	0	0	0	0	112.1	L418	G406-L418 WeakPolarHBondContact CA-O 3.48Å
407	V	90.9	Very high	87.3	Confident	16 Å²	16	38.8 Å²	38.8	10%	0.097	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.4	-176.6	179.9	0	0	0	0	110.2	L409 Y417 L418 V511	V407-L409 HydrophobicContact CG1-CD2 4.27Å; V407-Y417 CarbonylContact O-C 3.56Å; V407-Y417 WeakPolarHBondContact O-CA 3.36Å; V407-Y417 WeakPolarHBondContact O-CB 3.35Å; V407-L418 HydrophobicContact CB-CB 4.45Å; V407-L418 PolarHBondContact N-O 2.98Å; V407-L418 PolarHBondContact O-N 3.01Å; V407-V511 HydrophobicContact CG2-CB 3.73Å; V407-V511 HydrophobicContact CG2-CG1 3.45Å; V407-V511 VanDerWaalsContact CG2-CG1 3.45Å; V407-V511 HydrophobicContact CG2-CG2 3.89Å
408	V	90.8	Very high	87.3	Confident	1 Å²	1	39 Å²	39	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.3	169	-175.8	0	0	0	0	108.5	L358 R367 L371 A415	L358-V408 HydrophobicContact CD1-CG2 4.19Å; R367-V408 HydrophobicContact CB-CB 4.47Å; R367-V408 HydrophobicContact CB-CG1 4.26Å; R367-V408 HydrophobicContact CB-CG2 4.15Å; L371-V408 HydrophobicContact CB-CG2 4.28Å; L371-V408 HydrophobicContact CD2-CG2 3.76Å; V408-A415 HydrophobicContact CG1-CB 4.18Å
409	L	85.8	Confident	87.4	Confident	32 Å²	32	39 Å²	39	17%	0.168	21%	0.206	C	C	.	.			trans	-82	157.2	-178.5	-56.3	179.2	0	0	0	111.4	V407 S411 P416 L512 M541	V407-L409 HydrophobicContact CG1-CD2 4.27Å; L409-S411 PolarHBondContact O-N 3.25Å; L409-P416 HydrophobicContact CB-CG 4.19Å; L409-P416 PolarHBondContact N-O 3Å; L409-L512 HydrophobicContact CD2-CD1 3.96Å; L409-M541 HydrophobicContact CD1-CG 4.44Å; L409-M541 HydrophobicContact CD1-SD 3.54Å; L409-M541 VanDerWaalsContact CD1-SD 3.54Å
410	N	72.1	Confident	87.4	Confident	95 Å²	95	39.3 Å²	39.3	51%	0.508	21%	0.207	S	C	.	.			trans	-73.9	94.1	-179.1	-69.6	-28.4	0	0	0	111.2	R364 D506	R364-N410 WeakPolarHBondContact CD-OD1 3.33Å; N410-D506 PolarHBondContact ND2-OD1 3.3Å; N410-D506 PolarHBondContact ND2-OD2 3.47Å
411	S	71.1	Confident	87.5	Confident	43 Å²	43	36.2 Å²	36.2	30%	0.301	20%	0.195	S	C	.	.			trans	-140.3	125.9	161.9	177.1	0	0	0	0	108.7	R367 L409 D413 A415	R367-S411 PolarHBondContact NH1-O 3.46Å; L409-S411 PolarHBondContact O-N 3.25Å; S411-D413 VanDerWaalsContact C-N 3.31Å; S411-D413 PolarHBondContact O-N 3Å; S411-A415 PolarHBondContact O-N 3.39Å
412	K	60.6	Low	87.5	Confident	167 Å²	167	36.2 Å²	36.2	73%	0.726	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-48.1	-171.7	-166.7	176.6	-179.8	174.4	0	112	R367	R367-K412 PolarHBondContact NH2-O 3.45Å
413	D	69.9	Low	87.5	Confident	111 Å²	111	35.6 Å²	35.6	59%	0.594	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-18.1	-167.6	-56.7	-33.2	0	0	0	114.8	R359 S411	R359-D413 PolarHBondContact NE-O 3.31Å; S411-D413 VanDerWaalsContact C-N 3.31Å; S411-D413 PolarHBondContact O-N 3Å
414	K	82	Confident	87.6	Confident	62 Å²	62	34.9 Å²	34.9	27%	0.27	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-26	-171.3	-55.4	-63.3	-174.1	176.7	0	113.9	R359 G545 D546	R359-K414 WeakPolarHBondContact CD-O 3.48Å; R359-K414 VanDerWaalsContact CG-O 3.22Å; R359-K414 WeakPolarHBondContact CG-O 3.14Å; K414-G545 PolarHBondContact NZ-O 3.46Å; K414-D546 VanDerWaalsContact CD-OD1 3.26Å; K414-D546 WeakPolarHBondContact CD-OD1 3.32Å; K414-D546 VanDerWaalsContact CE-OD1 3.23Å; K414-D546 WeakPolarHBondContact CE-OD1 3.26Å; K414-D546 VanDerWaalsContact CG-OD1 3.32Å; K414-D546 WeakPolarHBondContact CG-OD1 3.46Å; K414-D546 IonicContact NZ-OD1 2.65Å
415	A	86.3	Confident	87.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.			trans	43.6	52.4	177.9	0	0	0	0	0	114.3	R359 V408 S411	R359-A415 HydrophobicContact CG-CB 4.23Å; V408-A415 HydrophobicContact CG1-CB 4.18Å; S411-A415 PolarHBondContact O-N 3.39Å
416	P	92.8	Very high	87.6	Confident	10 Å²	10	32 Å²	32	7%	0.065	17%	0.167	C	C	.	.			trans	-63.7	148.4	175.8	29.5	-30.8	0	0	0	109.4	L409 V542 K543	L409-P416 HydrophobicContact CB-CG 4.19Å; L409-P416 PolarHBondContact N-O 3Å; P416-V542 WeakPolarHBondContact CA-O 3.21Å; P416-K543 HydrophobicContact CB-CG 3.88Å
417	Y	94.3	Very high	87.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.3	-174.9	66.5	-82.8	0	0	0	111.7	L351 L358 L371 V407 L419 M541 V542	L351-Y417 PolarHBondContact O-OH 2.93Å; L358-Y417 HydrophobicContact CD1-CD1 3.85Å; L358-Y417 HydrophobicContact CD1-CE1 4.34Å; L358-Y417 HydrophobicContact CD1-CG 4.09Å; L371-Y417 HydrophobicContact CD1-CD2 3.71Å; L371-Y417 HydrophobicContact CD1-CE2 3.95Å; L371-Y417 HydrophobicContact CD1-CG 4.34Å; L371-Y417 HydrophobicContact CD2-CD2 4.15Å; L371-Y417 HydrophobicContact CD2-CG 4.44Å; V407-Y417 CarbonylContact O-C 3.56Å; V407-Y417 WeakPolarHBondContact O-CA 3.36Å; V407-Y417 WeakPolarHBondContact O-CB 3.35Å; Y417-L419 HydrophobicContact CD2-CD1 4.43Å; Y417-L419 HydrophobicContact CD2-CD2 3.6Å; Y417-L419 HydrophobicContact CD2-CG 3.87Å; Y417-L419 HydrophobicContact CE2-CD1 3.79Å; Y417-L419 HydrophobicContact CE2-CD2 3.67Å; Y417-L419 HydrophobicContact CE2-CG 3.74Å; Y417-M541 WeakPolarHBondContact O-CA 3.47Å; Y417-V542 HydrophobicContact CD1-CB 4.26Å; Y417-V542 HydrophobicContact CE1-CB 3.63Å; Y417-V542 HydrophobicContact CE1-CG1 3.79Å; Y417-V542 HydrophobicContact CE1-CG2 4.48Å; Y417-V542 HydrophobicContact CE2-CB 4.01Å; Y417-V542 HydrophobicContact CE2-CG2 4.02Å; Y417-V542 VanDerWaalsContact CZ-CB 3.48Å; Y417-V542 PolarHBondContact N-O 2.68Å; Y417-V542 VanDerWaalsContact N-O 3.13Å; Y417-V542 PolarHBondContact O-N 3.26Å; Y417-V542 WeakPolarHBondContact OH-CG1 3.4Å
418	L	94.4	Very high	86.6	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.9	-179.4	175.9	62.6	0	0	0	109.5	G406 V407 Y420 L512 P591	G406-L418 WeakPolarHBondContact CA-O 3.48Å; V407-L418 HydrophobicContact CB-CB 4.45Å; V407-L418 PolarHBondContact N-O 2.98Å; V407-L418 PolarHBondContact O-N 3.01Å; L418-Y420 HydrophobicContact CD2-CE1 4.39Å; L418-Y420 HydrophobicContact CD2-CE2 4.17Å; L418-Y420 VanDerWaalsContact CD2-OH 3.28Å; L418-Y420 WeakPolarHBondContact CD2-OH 3.4Å; L418-Y420 HydrophobicContact CG-CE2 4.24Å; L418-L512 HydrophobicContact CD2-CD2 3.45Å; L418-L512 VanDerWaalsContact CD2-CD2 3.45Å; L418-L512 HydrophobicContact CD2-CG 4.26Å; L418-P591 HydrophobicContact CD1-CB 3.85Å; L418-P591 HydrophobicContact CD1-CG 3.55Å
419	L	95.9	Very high	85.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	149.1	174.3	-55.7	179.3	0	0	0	109.9	L351 L371 L375 Y417 V421 P539 V540 V542	L351-L419 HydrophobicContact CD2-CD1 3.81Å; L371-L419 HydrophobicContact CD1-CD2 4.28Å; L375-L419 HydrophobicContact CD1-CD2 3.73Å; L375-L419 HydrophobicContact CD2-CD2 3.94Å; L375-L419 HydrophobicContact CG-CD2 4.42Å; Y417-L419 HydrophobicContact CD2-CD1 4.43Å; Y417-L419 HydrophobicContact CD2-CD2 3.6Å; Y417-L419 HydrophobicContact CD2-CG 3.87Å; Y417-L419 HydrophobicContact CE2-CD1 3.79Å; Y417-L419 HydrophobicContact CE2-CD2 3.67Å; Y417-L419 HydrophobicContact CE2-CG 3.74Å; L419-V421 HydrophobicContact CB-CG2 4.18Å; L419-P539 CarbonylContact O-C 3.57Å; L419-P539 WeakPolarHBondContact O-CA 3.01Å; L419-V540 HydrophobicContact CB-CG1 3.91Å; L419-V540 HydrophobicContact CD1-CG1 4.38Å; L419-V540 PolarHBondContact N-O 3.38Å; L419-V540 PolarHBondContact O-N 2.92Å; L419-V542 HydrophobicContact CD1-CG2 4.29Å
420	Y	96.1	Very high	85.2	Confident	9 Å²	9	42.9 Å²	42.9	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	117.8	165.6	-56.5	-83	0	0	0	106.9	P402 A405 L418 V511 W516 K519 I523 L537 P539	P402-Y420 WeakPolarHBondContact CD-O 3.21Å; A405-Y420 HydrophobicContact CB-CD2 3.87Å; A405-Y420 VanDerWaalsContact O-CD2 3.24Å; A405-Y420 WeakPolarHBondContact O-CD2 3.26Å; A405-Y420 VanDerWaalsContact O-CE2 3.24Å; A405-Y420 WeakPolarHBondContact O-CE2 3.41Å; L418-Y420 HydrophobicContact CD2-CE1 4.39Å; L418-Y420 HydrophobicContact CD2-CE2 4.17Å; L418-Y420 VanDerWaalsContact CD2-OH 3.28Å; L418-Y420 WeakPolarHBondContact CD2-OH 3.4Å; L418-Y420 HydrophobicContact CG-CE2 4.24Å; Y420-V511 HydrophobicContact CE2-CG1 4.2Å; Y420-W516 HydrophobicContact CD1-CH2 4.29Å; Y420-W516 AromaticContact CD1-CZ3 3.75Å; Y420-W516 HydrophobicContact CD1-CZ3 3.75Å; Y420-W516 AromaticContact CE1-CZ3 3.76Å; Y420-W516 HydrophobicContact CE1-CZ3 3.76Å; Y420-K519 HydrophobicContact CD1-CD 4Å; Y420-K519 HydrophobicContact CE1-CD 3.44Å; Y420-K519 VanDerWaalsContact CE1-CD 3.44Å; Y420-K519 HydrophobicContact CE2-CD 4.14Å; Y420-K519 WeakPolarHBondContact OH-CE 3.34Å; Y420-I523 HydrophobicContact CG-CD1 4.44Å; Y420-L537 HydrophobicContact CD1-CD2 4.44Å; Y420-P539 HydrophobicContact CD1-CB 4.08Å; Y420-P539 HydrophobicContact CE1-CB 4.22Å
421	V	97.6	Very high	84.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123	-170	178.4	0	0	0	0	108.7	L388 I398 I401 L419 L538 V540	L388-V421 HydrophobicContact CD1-CB 3.86Å; L388-V421 HydrophobicContact CD1-CG1 4.1Å; L388-V421 HydrophobicContact CD1-CG2 3.95Å; L388-V421 HydrophobicContact CD2-CG2 4.41Å; L388-V421 HydrophobicContact CG-CG1 4.32Å; I398-V421 HydrophobicContact CB-CG1 4.22Å; I398-V421 HydrophobicContact CD1-CG1 3.84Å; I398-V421 HydrophobicContact CG1-CG1 3.71Å; I398-V421 HydrophobicContact CG2-CG1 3.57Å; I401-V421 HydrophobicContact CD1-CG2 4.2Å; I401-V421 HydrophobicContact CG1-CG1 4.18Å; I401-V421 HydrophobicContact CG1-CG2 4.17Å; I401-V421 HydrophobicContact CG2-CG2 4.45Å; L419-V421 HydrophobicContact CB-CG2 4.18Å; V421-L538 PolarHBondContact N-O 3Å; V421-L538 PolarHBondContact O-N 2.88Å; V421-V540 HydrophobicContact CG2-CG1 4.05Å
422	E	97.5	Very high	84.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.8	173.3	-56.4	-178.2	-132.7	0	0	109.4	V399 R400 P402 I523 S527 W535 L537	V399-E422 HydrophobicContact CG2-CB 3.91Å; V399-E422 WeakPolarHBondContact CG2-O 3.35Å; V399-E422 PolarHBondContact N-O 2.85Å; R400-E422 HydrophobicContact CB-CB 4.13Å; R400-E422 HydrophobicContact CB-CG 4.36Å; R400-E422 WeakPolarHBondContact CD-OE1 3.43Å; R400-E422 IonicContact CZ-OE1 2.99Å; R400-E422 PolarHBondContact N-O 3.49Å; R400-E422 IonicContact NE-OE1 2.64Å; R400-E422 IonicContact NH1-OE1 3.08Å; R400-E422 PolarHBondContact NH1-OE1 3.24Å; R400-E422 WeakPolarHBondContact O-CA 3.28Å; R400-E422 VanDerWaalsContact O-CB 3.31Å; R400-E422 WeakPolarHBondContact O-CB 3.34Å; R400-E422 PolarHBondContact O-N 3.03Å; P402-E422 HydrophobicContact CG-CG 4.13Å; P402-E422 VanDerWaalsContact CG-OE1 3.31Å; P402-E422 WeakPolarHBondContact CG-OE1 3.35Å; E422-I523 HydrophobicContact CG-CG2 4.36Å; E422-S527 WeakPolarHBondContact OE2-CB 3.47Å; E422-S527 PolarHBondContact OE2-OG 3.46Å; E422-W535 HydrophobicContact CB-CZ2 4.49Å; E422-W535 HydrophobicContact CG-CZ2 3.91Å; E422-W535 PolarHBondContact OE2-NE1 2.91Å; E422-L537 HydrophobicContact CG-CD1 4.05Å
423	A	95.8	Very high	84.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.2	178.8	0	0	0	0	0	110.7	H396 H397 W535 R536 L538	H396-A423 HydrophobicContact CB-CB 4.15Å; H397-A423 CarbonylContact O-C 3.58Å; H397-A423 WeakPolarHBondContact O-CA 3.27Å; A423-W535 CarbonylContact O-C 3.5Å; A423-W535 WeakPolarHBondContact O-CA 3.27Å; A423-R536 PolarHBondContact N-O 2.8Å; A423-R536 PolarHBondContact O-N 2.89Å; A423-L538 HydrophobicContact CB-CD1 3.83Å; A423-L538 HydrophobicContact CB-CG 4.34Å
424	V	94.3	Very high	84.5	Confident	7 Å²	7	33 Å²	33	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.4	170.4	-179.5	0	0	0	0	108	H396 H397 V399 P434 L532 G534	H396-V424 CarbonylContact C-O 3.58Å; H396-V424 VanDerWaalsContact CA-O 3.22Å; H396-V424 WeakPolarHBondContact CA-O 3.15Å; H396-V424 WeakPolarHBondContact CB-O 3.42Å; H397-V424 PolarHBondContact N-O 2.79Å; H397-V424 PolarHBondContact O-N 3.09Å; V399-V424 HydrophobicContact CG1-CB 4.37Å; V399-V424 HydrophobicContact CG1-CG2 3.72Å; V399-V424 HydrophobicContact CG2-CG2 4.19Å; V424-P434 HydrophobicContact CB-CG 3.7Å; V424-P434 HydrophobicContact CG1-CG 3.81Å; V424-P434 HydrophobicContact CG2-CG 3.87Å; V424-L532 HydrophobicContact CG2-CB 4.39Å; V424-L532 HydrophobicContact CG2-CD1 3.86Å; V424-G534 WeakPolarHBondContact CA-O 3.41Å
425	E	92.8	Very high	83.5	Confident	74 Å²	74	35.6 Å²	35.6	35%	0.346	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.1	174.3	-173.5	171	-164.6	0	0	110.5	F394 P395 G534 R536	F394-E425 HydrophobicContact CD2-CG 4.44Å; P395-E425 WeakPolarHBondContact O-CA 3.45Å; E425-G534 PolarHBondContact N-O 2.81Å; E425-R536 VanDerWaalsContact CD-NH2 3.28Å; E425-R536 IonicContact OE1-CZ 2.69Å; E425-R536 IonicContact OE1-NH2 3.84Å; E425-R536 PolarHBondContact OE1-NH2 2.8Å; E425-R536 IonicContact OE2-CZ 2.6Å; E425-R536 IonicContact OE2-NE 2.68Å; E425-R536 PolarHBondContact OE2-NE 3.37Å; E425-R536 IonicContact OE2-NH2 2.8Å; E425-R536 PolarHBondContact OE2-NH2 3.18Å
426	V	87.8	Confident	82.3	Confident	24 Å²	24	37.6 Å²	37.6	15%	0.145	22%	0.215	C	C	.	.			trans	-130.7	163.7	-177.9	-63.2	0	0	0	0	110	P395 E428 S431	P395-V426 HydrophobicContact CB-CG2 3.94Å; P395-V426 VanDerWaalsContact CB-O 3.26Å; P395-V426 WeakPolarHBondContact CB-O 3.2Å; P395-V426 WeakPolarHBondContact CG-O 3.18Å; P395-V426 PolarHBondContact O-N 2.84Å; V426-E428 VanDerWaalsContact CG2-O 3.28Å; V426-E428 WeakPolarHBondContact CG2-O 3.44Å; V426-S431 WeakPolarHBondContact CB-OG 3.48Å
427	S	82.9	Confident	80.3	Confident	109 Å²	109	43.6 Å²	43.6	76%	0.762	24%	0.242	S	C	*	.	S	Bend	trans	-68.4	-38.6	178.2	51.5	0	0	0	0	112.7	P395	P395-S427 WeakPolarHBondContact CG-O 3.48Å
428	E	77.7	Confident	77.6	Confident	88 Å²	88	53.1 Å²	53.1	41%	0.411	28%	0.284	S	S	.	.			trans	-145.4	148.6	175.9	-67	-167.4	174.9	0	0	111.2	V331 V426 S430 S431	V331-E428 VanDerWaalsContact CG1-OE2 3.28Å; V331-E428 WeakPolarHBondContact CG1-OE2 3.38Å; V331-E428 VanDerWaalsContact CG2-CD 3.49Å; V331-E428 WeakPolarHBondContact CG2-OE1 3.11Å; V331-E428 VanDerWaalsContact CG2-OE2 3.23Å; V331-E428 WeakPolarHBondContact CG2-OE2 3.14Å; V426-E428 VanDerWaalsContact CG2-O 3.28Å; V426-E428 WeakPolarHBondContact CG2-O 3.44Å; E428-S430 WeakPolarHBondContact CB-OG 3.46Å; E428-S430 PolarHBondContact O-N 3.25Å; E428-S430 PolarHBondContact OE2-OG 2.94Å; E428-S431 WeakPolarHBondContact O-CB 3.27Å; E428-S431 PolarHBondContact O-N 3.46Å; E428-S431 PolarHBondContact O-OG 2.82Å
429	K	77.5	Confident	74.7	Confident	52 Å²	52	56.5 Å²	56.5	23%	0.226	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-9.5	176.9	-65.7	171.2	179.3	153.8	0	113.9	E203 W387 P395 H397	E203-K429 IonicContact OE2-NZ 2.69Å; E203-K429 PolarHBondContact OE2-NZ 3.12Å; W387-K429 HydrophobicContact CD2-CD 3.92Å; W387-K429 HydrophobicContact CD2-CG 4.45Å; W387-K429 HydrophobicContact CE3-CB 4.36Å; W387-K429 HydrophobicContact CE3-CD 4.25Å; W387-K429 HydrophobicContact CE3-CG 4.39Å; W387-K429 HydrophobicContact CG-CD 4.32Å; W387-K429 HydrophobicContact CH2-CD 4.47Å; W387-K429 HydrophobicContact CZ2-CD 4.15Å; W387-K429 HydrophobicContact CZ3-CB 4.28Å; P395-K429 HydrophobicContact CB-CG 4.02Å; H397-K429 PolarHBondContact CE1-O 3.23Å; H397-K429 VanDerWaalsContact CE1-O 3.24Å
430	S	69.8	Low	71.5	Confident	45 Å²	45	63.6 Å²	63.6	32%	0.315	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.2	177	63.8	0	0	0	0	112.9	H317 E428	H317-S430 PolarHBondContact CE1-O 3.49Å; H317-S430 VanDerWaalsContact CE1-O 3.29Å; E428-S430 WeakPolarHBondContact CB-OG 3.46Å; E428-S430 PolarHBondContact O-N 3.25Å; E428-S430 PolarHBondContact OE2-OG 2.94Å
431	S	64.5	Low	68.4	Low	21 Å²	21	68 Å²	68	15%	0.147	38%	0.377	C	S	.	.	S	Bend	trans	-66.1	158.9	-173.3	67.5	0	0	0	0	112.8	H397 V426 E428	H397-S431 PolarHBondContact NE2-O 2.84Å; V426-S431 WeakPolarHBondContact CB-OG 3.48Å; E428-S431 WeakPolarHBondContact O-CB 3.27Å; E428-S431 PolarHBondContact O-N 3.46Å; E428-S431 PolarHBondContact O-OG 2.82Å
432	P	64.9	Low	65.2	Low	73 Å²	73	75.9 Å²	75.9	47%	0.474	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-54.5	146.8	165.3	-22	33.5	0	0	0	111.1
433	F	69	Low	61.8	Low	85 Å²	85	80.8 Å²	80.8	37%	0.373	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-80.6	144.3	175	58.2	-92.2	0	0	0	110.2	P383 R385 L435	P383-F433 HydrophobicContact CB-CD2 3.87Å; P383-F433 HydrophobicContact CB-CE2 4.5Å; P383-F433 HydrophobicContact CB-CG 4.42Å; P383-F433 HydrophobicContact CG-CD2 3.56Å; P383-F433 HydrophobicContact CG-CE2 3.78Å; R385-F433 HydrophobicContact CG-CD1 4.38Å; F433-L435 HydrophobicContact CD2-CD2 4.43Å; F433-L435 HydrophobicContact CE2-CD2 3.79Å
434	P	61.5	Low	58.7	Low	31 Å²	31	89.4 Å²	89.4	20%	0.201	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-68.3	135.3	177.4	24.4	-29.6	0	0	0	111	V399 V424 L532	V399-P434 HydrophobicContact CG1-CG 4.19Å; V424-P434 HydrophobicContact CB-CG 3.7Å; V424-P434 HydrophobicContact CG1-CG 3.81Å; V424-P434 HydrophobicContact CG2-CG 3.87Å; P434-L532 HydrophobicContact CB-CD1 4.15Å
435	L	60.4	Low	55.6	Low	115 Å²	115	95.4 Å²	95.4	60%	0.602	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-83.6	143.6	174.1	-67.9	171.7	0	0	0	110.6	F433	F433-L435 HydrophobicContact CD2-CD2 4.43Å; F433-L435 HydrophobicContact CE2-CD2 3.79Å
436	A	60	Low	52.6	Low	43 Å²	43	97.9 Å²	97.9	36%	0.355	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-61.6	142.2	173.2	0	0	0	0	0	110.4	K438 Y529	A436-K438 PolarHBondContact O-N 2.89Å; A436-Y529 HydrophobicContact CB-CD1 4.08Å; A436-Y529 HydrophobicContact CB-CE1 3.41Å; A436-Y529 VanDerWaalsContact CB-CE1 3.41Å
437	Q	51.7	Low	49.9	Very low	135 Å²	135	102.5 Å²	102.5	63%	0.631	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-69.3	131.1	164.5	-73.5	-176.9	-24	0	0	108.4	S439	Q437-S439 PolarHBondContact O-N 3.16Å
438	K	36.6	Very low	47.3	Very low	201 Å²	201	105.6 Å²	105.6	87%	0.874	59%	0.586	S	S	*	*			trans	-60.8	108	169.6	-76.2	-177.5	178.7	177.9	0	107.7	A436 D440	A436-K438 PolarHBondContact O-N 2.89Å; K438-D440 PolarHBondContact O-N 2.74Å
439	S	34.2	Very low	45.2	Very low	74 Å²	74	107.5 Å²	107.5	52%	0.517	61%	0.609	S	S	.	*			trans	-72.9	122.6	166.8	56	0	0	0	0	108.5	Q437 S441	Q437-S439 PolarHBondContact O-N 3.16Å; S439-S441 PolarHBondContact O-N 2.99Å
440	D	29.3	Very low	42.9	Very low	150 Å²	150	111.1 Å²	111.1	80%	0.802	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-64.8	16.1	-179.4	-73.3	-36.8	0	0	0	115.1	K438 S443	K438-D440 PolarHBondContact O-N 2.74Å; D440-S443 PolarHBondContact O-OG 2.68Å
441	S	31.2	Very low	41	Very low	100 Å²	100	115.1 Å²	115.1	70%	0.699	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-92.3	2.3	-170.1	-21.7	0	0	0	0	115.2	S439	S439-S441 PolarHBondContact O-N 2.99Å
442	L	29.4	Very low	39.4	Very low	166 Å²	166	119.3 Å²	119.3	87%	0.869	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-103.4	20.3	-178.6	-87.3	164.5	0	0	0	114.1
443	S	27.5	Very low	37.7	Very low	104 Å²	104	120.2 Å²	120.2	73%	0.727	70%	0.701	S	S	*	*			trans	-94.6	9.6	-177.4	56.2	0	0	0	0	115.5	D440	D440-S443 PolarHBondContact O-OG 2.68Å
444	Q	30.1	Very low	35.8	Very low	181 Å²	181	123.7 Å²	123.7	85%	0.846	72%	0.724	S	S	*	*	S	Bend	trans	-120.1	12.8	-172.2	-74.2	-163.5	-19	0	0	117.5
445	V	28.9	Very low	34.2	Very low	133 Å²	133	127.2 Å²	127.2	81%	0.806	75%	0.749	S	S	*	*			trans	-142	76.2	173.9	-162.9	0	0	0	0	111.2
446	S	29.3	Very low	32.7	Very low	126 Å²	126	131.1 Å²	131.1	88%	0.881	76%	0.761	S	S	*	*			trans	-152.3	85.9	161.2	-76.6	0	0	0	0	108.1
447	V	31.7	Very low	31.2	Very low	121 Å²	121	136.2 Å²	136.2	73%	0.733	78%	0.782	S	S	*	*			trans	-81.8	127.5	167	179.4	0	0	0	0	106.8
448	E	28	Very low	30	Very low	173 Å²	173	137.7 Å²	137.7	81%	0.808	79%	0.794	S	S	*	*			trans	65.7	100.9	161.4	-69.8	165	-172.1	0	0	118.2
449	S	33.7	Very low	29.5	Very low	129 Å²	129	131.2 Å²	131.2	90%	0.902	79%	0.785	S	S	*	*				-173.5	134.5	117.5	-77.3	0	0	0	0	111.5
450	T	28.7	Very low	29.3	Very low	127 Å²	127	134.2 Å²	134.2	78%	0.779	80%	0.799	S	S	*	*			trans	-81.3	155.6	-168.8	44.8	0	0	0	0	114.5
451	T	31.2	Very low	29.4	Very low	129 Å²	129	132.5 Å²	132.5	79%	0.791	79%	0.794	S	S	*	*			trans	104.2	109.2	152.9	71.2	0	0	0	0	119.8
452	S	29.3	Very low	29.9	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	78%	0.781	S	S	*	*			trans	61	104.7	140	58.9	0	0	0	0	122
453	A	30.5	Very low	30.5	Very low	93 Å²	93	127.4 Å²	127.4	77%	0.769	76%	0.762	S	S	*	*				36.6	100.9	122	0	0	0	0	0	118.7
454	D	27.8	Very low	31.4	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	74%	0.735	S	S	*	*				-175.5	140.2	119.3	-108	-26.8	0	0	0	111.9
455	S	29.4	Very low	32.2	Very low	105 Å²	105	120.6 Å²	120.6	73%	0.734	73%	0.726	S	S	*	*			trans	76.4	109.5	149	-49.9	0	0	0	0	121.7
456	K	27.8	Very low	33.3	Very low	198 Å²	198	116.3 Å²	116.3	86%	0.861	70%	0.697	S	S	*	*			trans	2.6	136.2	144	-66.9	173.9	175.7	177.1	0	119.2
457	D	28.5	Very low	34.4	Very low	149 Å²	149	111.3 Å²	111.3	80%	0.797	66%	0.661	S	S	*	*			trans	64	93.8	161.2	-64	-35.4	0	0	0	117.6
458	L	26.2	Very low	35.4	Very low	166 Å²	166	112.2 Å²	112.2	87%	0.869	65%	0.651	S	S	*	*			trans	-164.4	116.8	141.7	-123.7	86.3	0	0	0	108.8
459	G	27.6	Very low	36.7	Very low	66 Å²	66	109.5 Å²	109.5	68%	0.68	63%	0.634	S	S	*	*			trans	-60.1	136.6	171.2	0	0	0	0	0	110.4	V461	G459-V461 PolarHBondContact O-N 3.01Å
460	V	29.4	Very low	37.6	Very low	137 Å²	137	109.6 Å²	109.6	83%	0.83	61%	0.614	S	S	*	*			trans	-48.9	109.6	177.2	176.9	0	0	0	0	109.7	I462	V460-I462 HydrophobicContact CG1-CG1 4.44Å; V460-I462 PolarHBondContact O-N 3.32Å; V460-I462 VanDerWaalsContact O-N 3.1Å
461	V	32	Very low	38.6	Very low	113 Å²	113	105 Å²	105	69%	0.685	59%	0.585	S	S	*	*			trans	-76.9	96.2	177	-179.6	0	0	0	0	108	G459 T463	G459-V461 PolarHBondContact O-N 3.01Å; V461-T463 PolarHBondContact O-N 2.9Å
462	I	40.2	Very low	39.5	Very low	82 Å²	82	103 Å²	103	42%	0.421	57%	0.572	S	S	.	*			trans	-72.8	111	166.1	-51.4	179.6	0	0	0	106.7	V460 E466 V467	V460-I462 HydrophobicContact CG1-CG1 4.44Å; V460-I462 PolarHBondContact O-N 3.32Å; V460-I462 VanDerWaalsContact O-N 3.1Å; I462-E466 HydrophobicContact CG2-CB 4.01Å; I462-E466 HydrophobicContact CG2-CG 3.82Å; I462-V467 HydrophobicContact CB-CG2 4.4Å; I462-V467 HydrophobicContact CG2-CG2 3.56Å
463	T	43	Very low	40.5	Very low	78 Å²	78	102.4 Å²	102.4	48%	0.479	56%	0.557	S	S	.	*			trans	-66.1	149.9	-179.3	67	0	0	0	0	110.9	V461 N465 E466 V467	V461-T463 PolarHBondContact O-N 2.9Å; T463-N465 PolarHBondContact O-N 3.17Å; T463-N465 VanDerWaalsContact O-N 3.11Å; T463-E466 WeakPolarHBondContact O-CB 3.26Å; T463-E466 PolarHBondContact O-N 3.31Å; T463-E466 WeakPolarHBondContact OG1-CB 3.4Å; T463-E466 PolarHBondContact OG1-N 3.28Å; T463-V467 PolarHBondContact O-N 3.02Å
464	A	45.2	Very low	41.2	Very low	19 Å²	19	102.1 Å²	102.1	16%	0.157	55%	0.55	C	S	.	*	H	α-helix	trans	-54.5	-32	175.7	0	0	0	0	0	112.5	L380 R468	L380-A464 HydrophobicContact CD1-CB 4.43Å; A464-R468 WeakPolarHBondContact O-CB 3.47Å; A464-R468 PolarHBondContact O-N 2.95Å
465	N	47.1	Very low	41.8	Very low	123 Å²	123	98.9 Å²	98.9	66%	0.658	53%	0.532	S	S	*	.	H	α-helix	trans	-68.6	-39.3	174.2	-77.7	-8.7	0	0	0	112.7	T463 R468 R469	T463-N465 PolarHBondContact O-N 3.17Å; T463-N465 VanDerWaalsContact O-N 3.11Å; N465-R468 PolarHBondContact O-N 3.1Å; N465-R469 WeakPolarHBondContact O-CB 3.23Å; N465-R469 PolarHBondContact O-N 2.71Å
466	E	52.9	Low	42.3	Very low	43 Å²	43	98.1 Å²	98.1	20%	0.201	53%	0.527	C	S	.	.	H	α-helix	trans	-67.6	-38.8	176.6	178.5	62.1	-174.6	0	0	111.6	I462 T463 R469 R470	I462-E466 HydrophobicContact CG2-CB 4.01Å; I462-E466 HydrophobicContact CG2-CG 3.82Å; T463-E466 WeakPolarHBondContact O-CB 3.26Å; T463-E466 PolarHBondContact O-N 3.31Å; T463-E466 WeakPolarHBondContact OG1-CB 3.4Å; T463-E466 PolarHBondContact OG1-N 3.28Å; E466-R469 VanDerWaalsContact CD-NH2 3.34Å; E466-R469 PolarHBondContact O-N 3.24Å; E466-R469 IonicContact OE1-CZ 3.31Å; E466-R469 IonicContact OE1-NE 3.05Å; E466-R469 IonicContact OE1-NH2 3.58Å; E466-R469 PolarHBondContact OE1-NH2 2.96Å; E466-R469 IonicContact OE2-CZ 3.79Å; E466-R469 IonicContact OE2-NE 2.95Å; E466-R469 PolarHBondContact OE2-NE 3.46Å; E466-R469 IonicContact OE2-NH2 3.72Å; E466-R469 PolarHBondContact OE2-NH2 3.13Å; E466-R469 VanDerWaalsContact OE2-NH2 3.14Å; E466-R470 WeakPolarHBondContact O-CB 3.46Å; E466-R470 VanDerWaalsContact O-CG 3.31Å; E466-R470 WeakPolarHBondContact O-CG 3.43Å; E466-R470 PolarHBondContact O-N 3.17Å; E466-R470 IonicContact OE1-CZ 3.43Å; E466-R470 VanDerWaalsContact OE1-CZ 3.28Å; E466-R470 IonicContact OE1-NE 2.87Å; E466-R470 PolarHBondContact OE1-NE 2.92Å; E466-R470 IonicContact OE1-NH2 2.75Å; E466-R470 PolarHBondContact OE1-NH2 3.19Å
467	V	52.1	Low	42.7	Very low	20 Å²	20	91.3 Å²	91.3	12%	0.121	51%	0.508	C	S	.	.	H	α-helix	trans	-61.5	-49.1	172.2	177.8	0	0	0	0	109.8	A376 L380 I462 T463 R469 R470 L471	A376-V467 HydrophobicContact CB-CG1 4.37Å; L380-V467 HydrophobicContact CD1-CG2 4.17Å; L380-V467 HydrophobicContact CD2-CG2 3.75Å; I462-V467 HydrophobicContact CB-CG2 4.4Å; I462-V467 HydrophobicContact CG2-CG2 3.56Å; T463-V467 PolarHBondContact O-N 3.02Å; V467-R469 VanDerWaalsContact C-N 3.31Å; V467-R469 PolarHBondContact O-N 3.06Å; V467-R470 PolarHBondContact O-N 3.19Å; V467-L471 HydrophobicContact CG1-CD1 3.53Å; V467-L471 WeakPolarHBondContact O-CB 3.34Å; V467-L471 WeakPolarHBondContact O-CD1 3.46Å; V467-L471 PolarHBondContact O-N 3.44Å
468	R	52	Low	42.7	Very low	141 Å²	141	89 Å²	89	53%	0.532	50%	0.5	S	S	.	.	H	α-helix	trans	-58.9	-41.2	177.9	-156.6	-179	-153.1	123	3.4	112	A464 N465 T472	A464-R468 WeakPolarHBondContact O-CB 3.47Å; A464-R468 PolarHBondContact O-N 2.95Å; N465-R468 PolarHBondContact O-N 3.1Å; R468-T472 WeakPolarHBondContact O-CB 3.31Å; R468-T472 PolarHBondContact O-N 3.26Å; R468-T472 PolarHBondContact O-OG1 3.47Å
469	R	56.1	Low	43	Very low	116 Å²	116	88 Å²	88	44%	0.438	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-52.6	175.5	-171.1	-175.1	70.5	84.9	-0.6	111.2	N465 E466 V467 L471 T472 E473	N465-R469 WeakPolarHBondContact O-CB 3.23Å; N465-R469 PolarHBondContact O-N 2.71Å; E466-R469 VanDerWaalsContact CD-NH2 3.34Å; E466-R469 PolarHBondContact O-N 3.24Å; E466-R469 IonicContact OE1-CZ 3.31Å; E466-R469 IonicContact OE1-NE 3.05Å; E466-R469 IonicContact OE1-NH2 3.58Å; E466-R469 PolarHBondContact OE1-NH2 2.96Å; E466-R469 IonicContact OE2-CZ 3.79Å; E466-R469 IonicContact OE2-NE 2.95Å; E466-R469 PolarHBondContact OE2-NE 3.46Å; E466-R469 IonicContact OE2-NH2 3.72Å; E466-R469 PolarHBondContact OE2-NH2 3.13Å; E466-R469 VanDerWaalsContact OE2-NH2 3.14Å; V467-R469 VanDerWaalsContact C-N 3.31Å; V467-R469 PolarHBondContact O-N 3.06Å; R469-L471 VanDerWaalsContact C-N 3.33Å; R469-L471 PolarHBondContact O-N 3.34Å; R469-T472 WeakPolarHBondContact O-CB 3.26Å; R469-T472 PolarHBondContact O-N 3.04Å; R469-T472 VanDerWaalsContact O-N 3.12Å; R469-E473 WeakPolarHBondContact CG-OE1 3.44Å; R469-E473 IonicContact CZ-OE1 3.47Å; R469-E473 IonicContact CZ-OE2 2.91Å; R469-E473 IonicContact NH1-OE1 3.21Å; R469-E473 PolarHBondContact NH1-OE1 3.26Å; R469-E473 IonicContact NH1-OE2 2.64Å; R469-E473 PolarHBondContact NH1-OE2 3.45Å; R469-E473 WeakPolarHBondContact O-CG 3.32Å; R469-E473 PolarHBondContact O-N 3.47Å
470	R	53.6	Low	43.1	Very low	130 Å²	130	93.5 Å²	93.5	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-37.5	179.2	-72	-178.9	-172.1	-170.9	2.2	113.2	E466 V467 E473 S474	E466-R470 WeakPolarHBondContact O-CB 3.46Å; E466-R470 VanDerWaalsContact O-CG 3.31Å; E466-R470 WeakPolarHBondContact O-CG 3.43Å; E466-R470 PolarHBondContact O-N 3.17Å; E466-R470 IonicContact OE1-CZ 3.43Å; E466-R470 VanDerWaalsContact OE1-CZ 3.28Å; E466-R470 IonicContact OE1-NE 2.87Å; E466-R470 PolarHBondContact OE1-NE 2.92Å; E466-R470 IonicContact OE1-NH2 2.75Å; E466-R470 PolarHBondContact OE1-NH2 3.19Å; V467-R470 PolarHBondContact O-N 3.19Å; R470-E473 PolarHBondContact O-N 3.04Å; R470-S474 WeakPolarHBondContact O-CB 3.47Å; R470-S474 PolarHBondContact O-N 3.11Å
471	L	47.7	Very low	43.1	Very low	32 Å²	32	95.6 Å²	95.6	17%	0.168	50%	0.502	C	S	.	.	H	α-helix	trans	-68.6	-41.3	173.9	-89.9	137.3	0	0	0	112	A376 V467 R469 E473 S474 L475	A376-L471 HydrophobicContact CB-CD1 3.23Å; A376-L471 HydrophobicContact CB-CD2 4.18Å; A376-L471 HydrophobicContact CB-CG 4.33Å; V467-L471 HydrophobicContact CG1-CD1 3.53Å; V467-L471 WeakPolarHBondContact O-CB 3.34Å; V467-L471 WeakPolarHBondContact O-CD1 3.46Å; V467-L471 PolarHBondContact O-N 3.44Å; R469-L471 VanDerWaalsContact C-N 3.33Å; R469-L471 PolarHBondContact O-N 3.34Å; L471-E473 VanDerWaalsContact C-N 3.28Å; L471-E473 PolarHBondContact O-N 2.95Å; L471-S474 PolarHBondContact O-N 3.21Å; L471-L475 VanDerWaalsContact O-CB 3.25Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 WeakPolarHBondContact O-CD1 3.22Å; L471-L475 WeakPolarHBondContact O-CG 3.43Å; L471-L475 PolarHBondContact O-N 3.24Å
472	T	50.3	Low	43.1	Very low	86 Å²	86	97.8 Å²	97.8	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-38.9	175.6	-53.1	0	0	0	0	110.8	R468 R469 S476	R468-T472 WeakPolarHBondContact O-CB 3.31Å; R468-T472 PolarHBondContact O-N 3.26Å; R468-T472 PolarHBondContact O-OG1 3.47Å; R469-T472 WeakPolarHBondContact O-CB 3.26Å; R469-T472 PolarHBondContact O-N 3.04Å; R469-T472 VanDerWaalsContact O-N 3.12Å; T472-S476 WeakPolarHBondContact O-CB 3.45Å; T472-S476 PolarHBondContact O-N 3.3Å; T472-S476 PolarHBondContact O-OG 3.18Å
473	E	50.7	Low	42.3	Very low	96 Å²	96	103 Å²	103	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-68.3	-40	174.3	-73	167.9	-174.9	0	0	112.6	R469 R470 L471 S476 A477	R469-E473 WeakPolarHBondContact CG-OE1 3.44Å; R469-E473 IonicContact CZ-OE1 3.47Å; R469-E473 IonicContact CZ-OE2 2.91Å; R469-E473 IonicContact NH1-OE1 3.21Å; R469-E473 PolarHBondContact NH1-OE1 3.26Å; R469-E473 IonicContact NH1-OE2 2.64Å; R469-E473 PolarHBondContact NH1-OE2 3.45Å; R469-E473 WeakPolarHBondContact O-CG 3.32Å; R469-E473 PolarHBondContact O-N 3.47Å; R470-E473 PolarHBondContact O-N 3.04Å; L471-E473 VanDerWaalsContact C-N 3.28Å; L471-E473 PolarHBondContact O-N 2.95Å; E473-S476 WeakPolarHBondContact CA-OG 3.38Å; E473-S476 PolarHBondContact O-N 3.22Å; E473-S476 PolarHBondContact O-OG 2.94Å; E473-A477 PolarHBondContact O-N 3.38Å; E473-A477 VanDerWaalsContact O-N 3.15Å
474	S	45.6	Very low	41.5	Very low	88 Å²	88	104.3 Å²	104.3	62%	0.615	54%	0.541	S	S	*	.	H	α-helix	trans	-73	-28.2	177.2	-168.7	0	0	0	0	113.4	R470 L471	R470-S474 WeakPolarHBondContact O-CB 3.47Å; R470-S474 PolarHBondContact O-N 3.11Å; L471-S474 PolarHBondContact O-N 3.21Å
475	L	41.1	Very low	40.7	Very low	89 Å²	89	113.4 Å²	113.4	47%	0.466	58%	0.577	S	S	.	*	H	α-helix	trans	-82.4	-23.2	176.5	-71.2	165.1	0	0	0	112.4	L471	L471-L475 VanDerWaalsContact O-CB 3.25Å; L471-L475 WeakPolarHBondContact O-CB 3.41Å; L471-L475 WeakPolarHBondContact O-CD1 3.22Å; L471-L475 WeakPolarHBondContact O-CG 3.43Å; L471-L475 PolarHBondContact O-N 3.24Å
476	S	39.9	Very low	39.7	Very low	89 Å²	89	116.4 Å²	116.4	62%	0.622	59%	0.587	S	S	*	*	H	α-helix	trans	-91.8	-12.4	176.3	50.8	0	0	0	0	113.6	T472 E473	T472-S476 WeakPolarHBondContact O-CB 3.45Å; T472-S476 PolarHBondContact O-N 3.3Å; T472-S476 PolarHBondContact O-OG 3.18Å; E473-S476 WeakPolarHBondContact CA-OG 3.38Å; E473-S476 PolarHBondContact O-N 3.22Å; E473-S476 PolarHBondContact O-OG 2.94Å
477	A	35.9	Very low	38.6	Very low	55 Å²	55	121.7 Å²	121.7	46%	0.455	62%	0.615	S	S	.	*	S	Bend	trans	-66.1	128.1	168.7	0	0	0	0	0	109.8	E473 N479	E473-A477 PolarHBondContact O-N 3.38Å; E473-A477 VanDerWaalsContact O-N 3.15Å; A477-N479 PolarHBondContact O-N 3.05Å; A477-N479 VanDerWaalsContact O-N 3.14Å
478	P	28.9	Very low	37.4	Very low	99 Å²	99	125.8 Å²	125.8	64%	0.643	65%	0.645	S	S	*	*			trans	-60.2	124.5	173.4	24	-29.9	0	0	0	107.9	K480	P478-K480 PolarHBondContact O-N 3.35Å
479	N	31.8	Very low	36.3	Very low	145 Å²	145	125.2 Å²	125.2	78%	0.775	66%	0.657	S	S	*	*			trans	-56.9	86.4	172.7	-107.5	-24.5	0	0	0	109.3	A477 Q481	A477-N479 PolarHBondContact O-N 3.05Å; A477-N479 VanDerWaalsContact O-N 3.14Å; N479-Q481 PolarHBondContact O-N 2.75Å
480	K	30.5	Very low	34.9	Very low	183 Å²	183	127.3 Å²	127.3	80%	0.796	68%	0.676	S	S	*	*			trans	-83	3.9	176.2	-82.8	-172.2	176.7	-177.9	0	112.4	P478	P478-K480 PolarHBondContact O-N 3.35Å
481	Q	29.4	Very low	34	Very low	180 Å²	180	133 Å²	133	84%	0.841	70%	0.697	S	S	*	*	S	Bend	trans	-112.4	60.4	167.6	-71.5	-172.2	-8.5	0	0	110.2	N479	N479-Q481 PolarHBondContact O-N 2.75Å
482	L	30.2	Very low	33.3	Very low	160 Å²	160	136.9 Å²	136.9	84%	0.838	73%	0.725	S	S	*	*	S	Bend	trans	-159.5	22.1	158.8	-130	92.7	0	0	0	112.8
483	K	25	Very low	32.1	Very low	191 Å²	191	141.6 Å²	141.6	83%	0.83	74%	0.74	S	S	*	*	S	Bend	trans	-139.6	73.3	-179.2	-77.7	-172.8	175.9	-178.9	0	111.1
484	S	25.8	Very low	31	Very low	105 Å²	105	148.1 Å²	148.1	73%	0.734	76%	0.761	S	S	*	*			trans	170	89.2	152.9	55.6	0	0	0	0	109.6
485	F	28.8	Very low	30.1	Very low	210 Å²	210	151.2 Å²	151.2	92%	0.921	77%	0.77	S	S	*	*			trans	-136.4	83.5	146.5	-101.4	-85.3	0	0	0	105.5	I487	F485-I487 PolarHBondContact O-N 2.8Å
486	E	25.5	Very low	29.5	Very low	186 Å²	186	154.9 Å²	154.9	87%	0.869	79%	0.791	S	S	*	*			trans	-58.3	121.9	159.9	-82.1	-179.6	142.9	0	0	107.2	S488	E486-S488 PolarHBondContact O-N 2.98Å
487	I	29.3	Very low	29.3	Very low	154 Å²	154	158.8 Å²	158.8	79%	0.79	80%	0.796	S	S	*	*			trans	-65.4	100.9	174.1	-67	168.6	0	0	0	106.9	F485 V489	F485-I487 PolarHBondContact O-N 2.8Å; I487-V489 PolarHBondContact O-N 3.48Å
488	S	27.2	Very low	29.4	Very low	107 Å²	107	157.9 Å²	157.9	75%	0.748	79%	0.787	S	S	*	*			trans	-70.8	114	161.4	50.8	0	0	0	0	108.1	E486 L490	E486-S488 PolarHBondContact O-N 2.98Å; S488-L490 PolarHBondContact O-N 3.16Å
489	V	29.8	Very low	30.3	Very low	129 Å²	129	154.4 Å²	154.4	78%	0.782	76%	0.764	S	S	*	*			trans	-64.9	89.3	179	178.8	0	0	0	0	109.8	I487	I487-V489 PolarHBondContact O-N 3.48Å
490	L	26.7	Very low	31	Very low	160 Å²	160	147.7 Å²	147.7	84%	0.838	73%	0.728	S	S	*	*			trans	-151.3	124	163.4	-74	179.8	0	0	0	110.4	S488	S488-L490 PolarHBondContact O-N 3.16Å
491	R	34	Very low	31.7	Very low	249 Å²	249	142.7 Å²	142.7	94%	0.94	71%	0.708	S	S	*	*			trans	-40.2	144.5	178.9	-60.6	175.1	179.5	177.7	-1	113.1
492	P	32.5	Very low	32.5	Very low	114 Å²	114	140.4 Å²	140.4	74%	0.74	70%	0.697	S	S	*	*				-160.7	159.5	110.5	35.1	-13.4	0	0	0	118.2
493	H	25.3	Very low	33	Very low	185 Å²	185	133.8 Å²	133.8	86%	0.856	66%	0.664	S	S	*	*			trans	33.5	124.4	146	-86.4	-81.4	0	0	0	123	N495	H493-N495 PolarHBondContact O-N 3.13Å
494	R	27.4	Very low	34.1	Very low	232 Å²	232	132.4 Å²	132.4	88%	0.875	67%	0.666	S	S	*	*	S	Bend	trans	-39.2	111.3	155.6	-70.1	173.7	172.3	175.1	-5.1	111.8
495	N	27	Very low	35.4	Very low	153 Å²	153	134.8 Å²	134.8	82%	0.818	67%	0.665	S	S	*	*			trans	169.5	132.6	141.8	-84.5	-11.6	0	0	0	108.5	H493	H493-N495 PolarHBondContact O-N 3.13Å
496	N	28.2	Very low	37	Very low	167 Å²	167	126.1 Å²	126.1	89%	0.893	63%	0.628	S	S	*	*			trans	77.9	76.3	-175.9	-59.5	-7.8	0	0	0	116
497	K	36.1	Very low	38.8	Very low	170 Å²	170	119.3 Å²	119.3	74%	0.739	60%	0.601	S	S	*	*			trans	-82.5	122.3	163.7	-80	-175	171.9	-173	0	109.8
498	S	38.7	Very low	40.5	Very low	36 Å²	36	112.3 Å²	112.3	25%	0.252	57%	0.565	S	S	.	*			trans	-65.9	124.4	165.3	57.4	0	0	0	0	109.8	F500 Q501	S498-F500 PolarHBondContact O-N 3.27Å; S498-Q501 WeakPolarHBondContact OG-CG 3.41Å; S498-Q501 PolarHBondContact OG-NE2 2.86Å; S498-Q501 VanDerWaalsContact OG-NE2 3.11Å
499	C	47.9	Very low	42.3	Very low	26 Å²	26	107.4 Å²	107.4	18%	0.176	53%	0.531	C	S	.	.	S	Bend	trans	-74.2	-16.5	-170.9	-168.6	0	0	0	0	114.9
500	F	46.6	Very low	44.1	Very low	5 Å²	5	102.2 Å²	102.2	2%	0.022	50%	0.501	C	S	.	.	S	Bend	trans	-152.2	115.3	173	-56.8	-80.3	0	0	0	110.9	S498 S513 V596 T604 H629 A677	S498-F500 PolarHBondContact O-N 3.27Å; F500-S513 VanDerWaalsContact CB-CB 3.47Å; F500-S513 WeakPolarHBondContact CB-O 3.42Å; F500-S513 WeakPolarHBondContact CD2-O 3.47Å; F500-V596 HydrophobicContact CD1-CB 4.44Å; F500-V596 HydrophobicContact CD1-CG1 3.67Å; F500-V596 HydrophobicContact CD1-CG2 3.89Å; F500-V596 HydrophobicContact CD2-CG1 4.27Å; F500-V596 HydrophobicContact CE1-CB 4.28Å; F500-V596 HydrophobicContact CE1-CG1 3.88Å; F500-V596 HydrophobicContact CE1-CG2 3.37Å; F500-V596 HydrophobicContact CE2-CG1 4.44Å; F500-V596 HydrophobicContact CG-CG1 3.9Å; F500-V596 HydrophobicContact CZ-CG1 4.26Å; F500-V596 HydrophobicContact CZ-CG2 3.93Å; F500-T604 HydrophobicContact CB-CG2 4.39Å; F500-T604 HydrophobicContact CD1-CG2 4.33Å; F500-H629 AromaticContact CE1-CE1 3.71Å; F500-H629 AromaticContact CE1-NE2 3.8Å; F500-A677 HydrophobicContact CE2-CB 4.38Å
501	Q	45.2	Very low	46.1	Very low	78 Å²	78	96.5 Å²	96.5	36%	0.364	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-90.9	158.2	177.7	-69.5	-170.5	-6.9	0	0	113.1	S498 M608	S498-Q501 WeakPolarHBondContact OG-CG 3.41Å; S498-Q501 PolarHBondContact OG-NE2 2.86Å; S498-Q501 VanDerWaalsContact OG-NE2 3.11Å; Q501-M608 HydrophobicContact CB-CG 4.36Å; Q501-M608 HydrophobicContact CB-SD 4.27Å; Q501-M608 HydrophobicContact CG-CE 4.29Å; Q501-M608 HydrophobicContact CG-SD 4.2Å
502	H	45.6	Very low	47.8	Very low	131 Å²	131	86.8 Å²	86.8	61%	0.606	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-72	123	-157	-60.8	21.9	0	0	0	113.4
503	S	40.8	Very low	49.6	Very low	22 Å²	22	81.7 Å²	81.7	15%	0.154	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-90.8	127.8	163.9	66.7	0	0	0	0	110.9	E505	S503-E505 VanDerWaalsContact C-N 3.34Å
504	N	47.5	Very low	52.3	Low	161 Å²	161	73.8 Å²	73.8	86%	0.861	37%	0.369	S	S	*	.	S	Bend	trans	-75.5	-17.4	176.9	-78.9	-36.8	0	0	0	114.1
505	E	53.9	Low	55.2	Low	155 Å²	155	64.1 Å²	64.1	72%	0.724	34%	0.336	S	S	*	.	S	Bend	trans	-73.9	-32.8	-175	-64.3	-168.4	157.2	0	0	113.4	S503 K603	S503-E505 VanDerWaalsContact C-N 3.34Å; E505-K603 IonicContact OE2-NZ 3.84Å
506	D	62.2	Low	58.3	Low	28 Å²	28	59 Å²	59	15%	0.15	31%	0.305	C	S	.	.			trans	-133	94.9	179	-174.3	-1	0	0	0	110	N410 S508 A509 S510	N410-D506 PolarHBondContact ND2-OD1 3.3Å; N410-D506 PolarHBondContact ND2-OD2 3.47Å; D506-S508 PolarHBondContact O-N 3.42Å; D506-S508 WeakPolarHBondContact OD1-CB 3.25Å; D506-S508 PolarHBondContact OD1-N 3.1Å; D506-S508 PolarHBondContact OD1-OG 3Å; D506-S508 PolarHBondContact OD2-OG 3.26Å; D506-A509 HydrophobicContact CB-CB 3.85Å; D506-A509 WeakPolarHBondContact O-CB 3.32Å; D506-A509 PolarHBondContact O-N 3.38Å; D506-A509 PolarHBondContact OD1-N 3.39Å; D506-S510 PolarHBondContact O-N 3.24Å
507	P	62.4	Low	61.4	Low	44 Å²	44	57.6 Å²	57.6	29%	0.286	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-16.2	179.7	28.7	-36.2	0	0	0	112.6	R364 S510 V511	R364-P507 VanDerWaalsContact CZ-CG 3.42Å; P507-S510 WeakPolarHBondContact CA-OG 3.45Å; P507-S510 PolarHBondContact O-OG 3.37Å; P507-S510 VanDerWaalsContact O-OG 3.05Å; P507-V511 VanDerWaalsContact O-CG2 3.25Å; P507-V511 WeakPolarHBondContact O-CG2 3.35Å; P507-V511 PolarHBondContact O-N 3.14Å
508	S	66.3	Low	64	Low	6 Å²	6	54.3 Å²	54.3	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-72.2	-36.8	172.3	74.9	0	0	0	0	111.5	D506 L512	D506-S508 PolarHBondContact O-N 3.42Å; D506-S508 WeakPolarHBondContact OD1-CB 3.25Å; D506-S508 PolarHBondContact OD1-N 3.1Å; D506-S508 PolarHBondContact OD1-OG 3Å; D506-S508 PolarHBondContact OD2-OG 3.26Å; S508-L512 WeakPolarHBondContact O-CG 3.34Å; S508-L512 PolarHBondContact O-N 3.24Å; S508-L512 VanDerWaalsContact O-N 3.13Å
509	A	65.1	Low	66.6	Low	4 Å²	4	52.9 Å²	52.9	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-48.2	172.2	0	0	0	0	0	111.5	D506 V511 L512 S513 Q600	D506-A509 HydrophobicContact CB-CB 3.85Å; D506-A509 WeakPolarHBondContact O-CB 3.32Å; D506-A509 PolarHBondContact O-N 3.38Å; D506-A509 PolarHBondContact OD1-N 3.39Å; A509-V511 VanDerWaalsContact C-N 3.32Å; A509-V511 PolarHBondContact O-N 3.29Å; A509-L512 PolarHBondContact O-N 2.88Å; A509-L512 VanDerWaalsContact O-N 3.14Å; A509-S513 VanDerWaalsContact O-CB 3.3Å; A509-S513 WeakPolarHBondContact O-CB 3.44Å; A509-S513 PolarHBondContact O-N 2.74Å; A509-S513 PolarHBondContact O-OG 2.92Å; A509-Q600 HydrophobicContact CB-CG 4.18Å
510	S	66.4	Low	68.8	Low	21 Å²	21	52.5 Å²	52.5	15%	0.147	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-34.8	-177.4	67	0	0	0	0	112.7	D506 P507 S513 E514	D506-S510 PolarHBondContact O-N 3.24Å; P507-S510 WeakPolarHBondContact CA-OG 3.45Å; P507-S510 PolarHBondContact O-OG 3.37Å; P507-S510 VanDerWaalsContact O-OG 3.05Å; S510-S513 PolarHBondContact O-OG 2.75Å; S510-E514 PolarHBondContact O-N 2.99Å
511	V	69.2	Low	71.1	Confident	40 Å²	40	58.3 Å²	58.3	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-70.3	-35.6	174.5	178.9	0	0	0	0	111.1	V407 Y420 P507 A509 K519	V407-V511 HydrophobicContact CG2-CB 3.73Å; V407-V511 HydrophobicContact CG2-CG1 3.45Å; V407-V511 VanDerWaalsContact CG2-CG1 3.45Å; V407-V511 HydrophobicContact CG2-CG2 3.89Å; Y420-V511 HydrophobicContact CE2-CG1 4.2Å; P507-V511 VanDerWaalsContact O-CG2 3.25Å; P507-V511 WeakPolarHBondContact O-CG2 3.35Å; P507-V511 PolarHBondContact O-N 3.14Å; A509-V511 VanDerWaalsContact C-N 3.32Å; A509-V511 PolarHBondContact O-N 3.29Å; V511-K519 VanDerWaalsContact O-CE 3.25Å; V511-K519 WeakPolarHBondContact O-CE 3.38Å; V511-K519 PolarHBondContact O-NZ 3.09Å
512	L	70.8	Confident	73.4	Confident	45 Å²	45	60.1 Å²	60.1	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-73.5	-30.1	176.9	-78.8	169.7	0	0	0	113.3	L409 L418 S508 A509	L409-L512 HydrophobicContact CD2-CD1 3.96Å; L418-L512 HydrophobicContact CD2-CD2 3.45Å; L418-L512 VanDerWaalsContact CD2-CD2 3.45Å; L418-L512 HydrophobicContact CD2-CG 4.26Å; S508-L512 WeakPolarHBondContact O-CG 3.34Å; S508-L512 PolarHBondContact O-N 3.24Å; S508-L512 VanDerWaalsContact O-N 3.13Å; A509-L512 PolarHBondContact O-N 2.88Å; A509-L512 VanDerWaalsContact O-N 3.14Å
513	S	69.4	Low	75.7	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-79.9	-21	-174.4	80.8	0	0	0	0	113.6	F500 A509 S510	F500-S513 VanDerWaalsContact CB-CB 3.47Å; F500-S513 WeakPolarHBondContact CB-O 3.42Å; F500-S513 WeakPolarHBondContact CD2-O 3.47Å; A509-S513 VanDerWaalsContact O-CB 3.3Å; A509-S513 WeakPolarHBondContact O-CB 3.44Å; A509-S513 PolarHBondContact O-N 2.74Å; A509-S513 PolarHBondContact O-OG 2.92Å; S510-S513 PolarHBondContact O-OG 2.75Å
514	E	81.8	Confident	78.3	Confident	20 Å²	20	59 Å²	59	9%	0.093	29%	0.289	C	S	.	.	S	Bend	trans	-58.6	131.3	173.8	-178	-169.9	-174	0	0	111.3	S510 W516 K519 R522	S510-E514 PolarHBondContact O-N 2.99Å; E514-W516 PolarHBondContact O-N 2.86Å; E514-K519 HydrophobicContact CG-CB 4.3Å; E514-K519 WeakPolarHBondContact OE1-CA 3.43Å; E514-K519 PolarHBondContact OE1-N 3.48Å; E514-K519 IonicContact OE2-NZ 3.14Å; E514-K519 PolarHBondContact OE2-NZ 3.47Å; E514-R522 VanDerWaalsContact CD-NH1 3.35Å; E514-R522 IonicContact OE1-CZ 3.75Å; E514-R522 IonicContact OE1-NH1 2.76Å; E514-R522 PolarHBondContact OE1-NH1 3.07Å; E514-R522 IonicContact OE1-NH2 2.79Å; E514-R522 PolarHBondContact OE1-NH2 3.27Å; E514-R522 IonicContact OE2-CZ 2.95Å; E514-R522 IonicContact OE2-NH1 3.93Å; E514-R522 PolarHBondContact OE2-NH1 3.32Å; E514-R522 IonicContact OE2-NH2 4Å; E514-R522 PolarHBondContact OE2-NH2 2.81Å
515	P	88.5	Confident	80.6	Confident	28 Å²	28	57.7 Å²	57.7	18%	0.182	28%	0.277	C	S	.	.			trans	-52.1	129.9	174.9	-26.5	34.6	0	0	0	112.6	I517 E518 K519	P515-I517 PolarHBondContact O-N 3.01Å; P515-I517 VanDerWaalsContact O-N 3.17Å; P515-E518 HydrophobicContact CB-CB 4.47Å; P515-E518 HydrophobicContact CB-CG 4.22Å; P515-E518 PolarHBondContact O-N 2.91Å; P515-E518 VanDerWaalsContact O-N 3.08Å; P515-K519 PolarHBondContact O-N 3.35Å
516	W	91.7	Very high	82.4	Confident	45 Å²	45	55.9 Å²	55.9	17%	0.17	27%	0.273	C	S	.	.	H	α-helix	trans	-53.1	-40.6	-176.8	174.4	-109.2	0	0	0	113	Y420 E514 K519 A520 L537 P539 V593 N594	Y420-W516 HydrophobicContact CD1-CH2 4.29Å; Y420-W516 AromaticContact CD1-CZ3 3.75Å; Y420-W516 HydrophobicContact CD1-CZ3 3.75Å; Y420-W516 AromaticContact CE1-CZ3 3.76Å; Y420-W516 HydrophobicContact CE1-CZ3 3.76Å; E514-W516 PolarHBondContact O-N 2.86Å; W516-K519 PolarHBondContact O-N 3.37Å; W516-A520 VanDerWaalsContact O-CB 3.23Å; W516-A520 WeakPolarHBondContact O-CB 3.44Å; W516-A520 PolarHBondContact O-N 3.31Å; W516-L537 HydrophobicContact CH2-CB 4.25Å; W516-L537 HydrophobicContact CH2-CD2 3.87Å; W516-L537 HydrophobicContact CH2-CG 3.96Å; W516-L537 HydrophobicContact CZ2-CB 4.25Å; W516-L537 HydrophobicContact CZ2-CD2 4.41Å; W516-L537 HydrophobicContact CZ2-CG 4.45Å; W516-L537 VanDerWaalsContact CZ2-O 3.3Å; W516-L537 WeakPolarHBondContact CZ2-O 3.42Å; W516-L537 HydrophobicContact CZ3-CD2 4.29Å; W516-P539 HydrophobicContact CH2-CB 3.93Å; W516-P539 HydrophobicContact CH2-CG 3.73Å; W516-P539 HydrophobicContact CZ2-CG 4.43Å; W516-P539 HydrophobicContact CZ3-CB 3.88Å; W516-P539 HydrophobicContact CZ3-CG 3.94Å; W516-V593 HydrophobicContact CB-CB 4.25Å; W516-V593 HydrophobicContact CB-CG2 4.31Å; W516-V593 HydrophobicContact CD2-CB 4.39Å; W516-V593 HydrophobicContact CD2-CG1 4.09Å; W516-V593 HydrophobicContact CE3-CB 4.23Å; W516-V593 HydrophobicContact CE3-CG1 3.63Å; W516-V593 HydrophobicContact CG-CB 4.41Å; W516-V593 HydrophobicContact CG-CG2 4.3Å; W516-V593 HydrophobicContact CZ3-CG1 4.06Å; W516-N594 VanDerWaalsContact CB-OD1 3.26Å; W516-N594 WeakPolarHBondContact CB-OD1 3.18Å; W516-N594 PolarHBondContact N-OD1 2.8Å
517	I	92.4	Very high	83.9	Confident	138 Å²	138	55.1 Å²	55.1	71%	0.708	27%	0.27	S	S	*	.	H	α-helix	trans	-64	-43.8	-178.9	-63	174	0	0	0	110.8	P515 A520 K521	P515-I517 PolarHBondContact O-N 3.01Å; P515-I517 VanDerWaalsContact O-N 3.17Å; I517-A520 PolarHBondContact O-N 3.4Å; I517-K521 VanDerWaalsContact O-CB 3.28Å; I517-K521 WeakPolarHBondContact O-CB 3.35Å; I517-K521 PolarHBondContact O-N 3.38Å
518	E	92.2	Very high	85.3	Confident	102 Å²	102	56 Å²	56	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-43.9	178.5	-64.4	-177.9	177.1	0	0	111	P515 A520 K521 R522	P515-E518 HydrophobicContact CB-CB 4.47Å; P515-E518 HydrophobicContact CB-CG 4.22Å; P515-E518 PolarHBondContact O-N 2.91Å; P515-E518 VanDerWaalsContact O-N 3.08Å; E518-A520 PolarHBondContact O-N 2.9Å; E518-K521 PolarHBondContact O-N 3.27Å; E518-R522 WeakPolarHBondContact O-CB 3.44Å; E518-R522 PolarHBondContact O-N 2.92Å
519	K	92.3	Very high	86.6	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-49	175.5	-172.1	-175.4	-59.7	-65.2	0	111.4	Y420 V511 E514 P515 W516 R522 I523	Y420-K519 HydrophobicContact CD1-CD 4Å; Y420-K519 HydrophobicContact CE1-CD 3.44Å; Y420-K519 VanDerWaalsContact CE1-CD 3.44Å; Y420-K519 HydrophobicContact CE2-CD 4.14Å; Y420-K519 WeakPolarHBondContact OH-CE 3.34Å; V511-K519 VanDerWaalsContact O-CE 3.25Å; V511-K519 WeakPolarHBondContact O-CE 3.38Å; V511-K519 PolarHBondContact O-NZ 3.09Å; E514-K519 HydrophobicContact CG-CB 4.3Å; E514-K519 WeakPolarHBondContact OE1-CA 3.43Å; E514-K519 PolarHBondContact OE1-N 3.48Å; E514-K519 IonicContact OE2-NZ 3.14Å; E514-K519 PolarHBondContact OE2-NZ 3.47Å; P515-K519 PolarHBondContact O-N 3.35Å; W516-K519 PolarHBondContact O-N 3.37Å; K519-R522 PolarHBondContact O-N 2.9Å; K519-I523 HydrophobicContact CG-CD1 4.06Å; K519-I523 WeakPolarHBondContact O-CG1 3.49Å; K519-I523 PolarHBondContact O-N 3.22Å
520	A	94.3	Very high	87.9	Confident	17 Å²	17	56.7 Å²	56.7	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-43.6	179.3	0	0	0	0	0	111.4	W516 I517 E518 I523 R524 L537	W516-A520 VanDerWaalsContact O-CB 3.23Å; W516-A520 WeakPolarHBondContact O-CB 3.44Å; W516-A520 PolarHBondContact O-N 3.31Å; I517-A520 PolarHBondContact O-N 3.4Å; E518-A520 PolarHBondContact O-N 2.9Å; A520-I523 PolarHBondContact O-N 3.34Å; A520-R524 VanDerWaalsContact O-CB 3.23Å; A520-R524 WeakPolarHBondContact O-CB 3.45Å; A520-R524 PolarHBondContact O-N 2.64Å; A520-L537 HydrophobicContact CB-CD2 4.12Å
521	K	94.7	Very high	89.1	Confident	127 Å²	127	62.1 Å²	62.1	55%	0.552	30%	0.304	S	S	*	.	H	α-helix	trans	-60.3	-50.2	175.6	-178.5	179.3	173.2	-176.3	0	111.8	I517 E518 I523 R524 E525	I517-K521 VanDerWaalsContact O-CB 3.28Å; I517-K521 WeakPolarHBondContact O-CB 3.35Å; I517-K521 PolarHBondContact O-N 3.38Å; E518-K521 PolarHBondContact O-N 3.27Å; K521-I523 VanDerWaalsContact C-N 3.34Å; K521-I523 PolarHBondContact O-N 3.03Å; K521-R524 WeakPolarHBondContact O-CB 3.25Å; K521-R524 PolarHBondContact O-N 2.92Å; K521-R524 VanDerWaalsContact O-N 3.17Å; K521-E525 WeakPolarHBondContact CE-OE1 3.4Å; K521-E525 HydrophobicContact CG-CG 4.48Å; K521-E525 WeakPolarHBondContact CG-OE1 3.39Å; K521-E525 WeakPolarHBondContact O-CG 3.33Å; K521-E525 PolarHBondContact O-N 3.22Å
522	R	94.4	Very high	90.1	Very high	116 Å²	116	61.3 Å²	61.3	44%	0.438	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-42.6	179.1	-177.8	179.1	64.7	-127.8	-11.1	112.2	E514 E518 K519 N526	E514-R522 VanDerWaalsContact CD-NH1 3.35Å; E514-R522 IonicContact OE1-CZ 3.75Å; E514-R522 IonicContact OE1-NH1 2.76Å; E514-R522 PolarHBondContact OE1-NH1 3.07Å; E514-R522 IonicContact OE1-NH2 2.79Å; E514-R522 PolarHBondContact OE1-NH2 3.27Å; E514-R522 IonicContact OE2-CZ 2.95Å; E514-R522 IonicContact OE2-NH1 3.93Å; E514-R522 PolarHBondContact OE2-NH1 3.32Å; E514-R522 IonicContact OE2-NH2 4Å; E514-R522 PolarHBondContact OE2-NH2 2.81Å; E518-R522 WeakPolarHBondContact O-CB 3.44Å; E518-R522 PolarHBondContact O-N 2.92Å; K519-R522 PolarHBondContact O-N 2.9Å; R522-N526 PolarHBondContact O-N 3.27Å; R522-N526 PolarHBondContact O-ND2 2.93Å
523	I	94.4	Very high	90.9	Very high	15 Å²	15	64.6 Å²	64.6	8%	0.077	32%	0.322	C	S	.	.	H	α-helix	trans	-67.5	-40.1	177.7	-69.7	172.3	0	0	0	110.5	P402 A405 Y420 E422 K519 A520 K521 N526 S527 W535 L537	P402-I523 HydrophobicContact CG-CG2 3.78Å; A405-I523 HydrophobicContact CB-CD1 4.1Å; Y420-I523 HydrophobicContact CG-CD1 4.44Å; E422-I523 HydrophobicContact CG-CG2 4.36Å; K519-I523 HydrophobicContact CG-CD1 4.06Å; K519-I523 WeakPolarHBondContact O-CG1 3.49Å; K519-I523 PolarHBondContact O-N 3.22Å; A520-I523 PolarHBondContact O-N 3.34Å; K521-I523 VanDerWaalsContact C-N 3.34Å; K521-I523 PolarHBondContact O-N 3.03Å; I523-N526 PolarHBondContact O-N 3.47Å; I523-S527 VanDerWaalsContact O-CB 3.31Å; I523-S527 WeakPolarHBondContact O-CB 3.41Å; I523-S527 PolarHBondContact O-N 2.97Å; I523-S527 VanDerWaalsContact O-N 3.12Å; I523-W535 HydrophobicContact CG2-CH2 4.49Å; I523-W535 HydrophobicContact CG2-CZ2 4.25Å; I523-L537 HydrophobicContact CB-CD2 4.32Å; I523-L537 HydrophobicContact CD1-CD1 4.36Å; I523-L537 HydrophobicContact CD1-CD2 3.72Å; I523-L537 HydrophobicContact CG2-CD1 3.87Å; I523-L537 HydrophobicContact CG2-CD2 4.46Å
524	R	95.5	Very high	91.9	Very high	115 Å²	115	65.8 Å²	65.8	43%	0.434	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-47.6	177.3	-168.9	177.2	-176.8	167.8	3.7	112.3	A520 K521 N526 S527 G530 W535	A520-R524 VanDerWaalsContact O-CB 3.23Å; A520-R524 WeakPolarHBondContact O-CB 3.45Å; A520-R524 PolarHBondContact O-N 2.64Å; K521-R524 WeakPolarHBondContact O-CB 3.25Å; K521-R524 PolarHBondContact O-N 2.92Å; K521-R524 VanDerWaalsContact O-N 3.17Å; R524-N526 VanDerWaalsContact C-N 3.25Å; R524-N526 PolarHBondContact O-N 3.21Å; R524-S527 WeakPolarHBondContact O-CB 3.46Å; R524-S527 PolarHBondContact O-N 2.85Å; R524-S527 VanDerWaalsContact O-N 3.11Å; R524-G530 WeakPolarHBondContact CG-O 3.49Å; R524-G530 PolarHBondContact NE-O 2.88Å; R524-G530 PolarHBondContact NH2-O 3.48Å; R524-W535 HydrophobicContact CB-CE3 4.29Å; R524-W535 HydrophobicContact CB-CH2 3.54Å; R524-W535 HydrophobicContact CB-CZ2 4.11Å; R524-W535 HydrophobicContact CB-CZ3 3.66Å; R524-W535 HydrophobicContact CG-CD2 4.26Å; R524-W535 HydrophobicContact CG-CE3 3.86Å; R524-W535 HydrophobicContact CG-CH2 4.01Å; R524-W535 HydrophobicContact CG-CZ2 4.38Å; R524-W535 HydrophobicContact CG-CZ3 3.74Å
525	E	94.4	Very high	92.5	Very high	133 Å²	133	66 Å²	66	62%	0.621	34%	0.335	S	S	*	.	H	α-helix	trans	-62.3	-32.2	-179.6	-73.2	171	175	0	0	112.7	K521	K521-E525 WeakPolarHBondContact CE-OE1 3.4Å; K521-E525 HydrophobicContact CG-CG 4.48Å; K521-E525 WeakPolarHBondContact CG-OE1 3.39Å; K521-E525 WeakPolarHBondContact O-CG 3.33Å; K521-E525 PolarHBondContact O-N 3.22Å
526	N	92.1	Very high	92.8	Very high	118 Å²	118	68.1 Å²	68.1	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	3.7	178.3	-67.7	-59.8	0	0	0	113.5	R522 I523 R524	R522-N526 PolarHBondContact O-N 3.27Å; R522-N526 PolarHBondContact O-ND2 2.93Å; I523-N526 PolarHBondContact O-N 3.47Å; R524-N526 VanDerWaalsContact C-N 3.25Å; R524-N526 PolarHBondContact O-N 3.21Å
527	S	92.9	Very high	93.1	Very high	12 Å²	12	66.6 Å²	66.6	8%	0.084	34%	0.335	C	S	.	.			trans	-95.6	135	-176.6	172.2	0	0	0	0	112	E422 I523 R524 Y529 G530	E422-S527 WeakPolarHBondContact OE2-CB 3.47Å; E422-S527 PolarHBondContact OE2-OG 3.46Å; I523-S527 VanDerWaalsContact O-CB 3.31Å; I523-S527 WeakPolarHBondContact O-CB 3.41Å; I523-S527 PolarHBondContact O-N 2.97Å; I523-S527 VanDerWaalsContact O-N 3.12Å; R524-S527 WeakPolarHBondContact O-CB 3.46Å; R524-S527 PolarHBondContact O-N 2.85Å; R524-S527 VanDerWaalsContact O-N 3.11Å; S527-Y529 PolarHBondContact O-N 3.39Å; S527-Y529 PolarHBondContact OG-N 3.48Å; S527-G530 PolarHBondContact O-N 2.89Å; S527-G530 PolarHBondContact OG-N 2.97Å
528	P	92.9	Very high	93.3	Very high	62 Å²	62	60.5 Å²	60.5	40%	0.403	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.5	168.7	28.4	-33.6	0	0	0	113.4
529	Y	93.1	Very high	93.5	Very high	24 Å²	24	56.1 Å²	56.1	9%	0.094	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-6.8	178.9	-57.4	-78.5	0	0	0	113.1	P383 V399 R400 A436 S527 N531 L532	P383-Y529 WeakPolarHBondContact CD-OH 3.22Å; V399-Y529 HydrophobicContact CB-CD1 3.89Å; V399-Y529 HydrophobicContact CB-CD2 3.94Å; V399-Y529 HydrophobicContact CB-CE1 4Å; V399-Y529 HydrophobicContact CB-CE2 4.07Å; V399-Y529 HydrophobicContact CB-CG 3.86Å; V399-Y529 HydrophobicContact CG1-CD1 4.31Å; V399-Y529 HydrophobicContact CG1-CE1 4.46Å; V399-Y529 HydrophobicContact CG2-CD1 4.08Å; V399-Y529 HydrophobicContact CG2-CD2 3.73Å; V399-Y529 HydrophobicContact CG2-CE2 4.35Å; V399-Y529 HydrophobicContact CG2-CG 3.6Å; V399-Y529 WeakPolarHBondContact O-CE2 3.49Å; R400-Y529 HydrophobicContact CB-CD2 3.9Å; R400-Y529 HydrophobicContact CB-CE2 3.9Å; A436-Y529 HydrophobicContact CB-CD1 4.08Å; A436-Y529 HydrophobicContact CB-CE1 3.41Å; A436-Y529 VanDerWaalsContact CB-CE1 3.41Å; S527-Y529 PolarHBondContact O-N 3.39Å; S527-Y529 PolarHBondContact OG-N 3.48Å; Y529-N531 PolarHBondContact O-N 3.1Å; Y529-L532 HydrophobicContact CD1-CD1 3.85Å; Y529-L532 WeakPolarHBondContact O-CB 3.28Å; Y529-L532 WeakPolarHBondContact O-CG 3.27Å; Y529-L532 PolarHBondContact O-N 3.29Å
530	G	91.5	Very high	93.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.8	-170.4	0	0	0	0	0	114.7	R524 S527	R524-G530 WeakPolarHBondContact CG-O 3.49Å; R524-G530 PolarHBondContact NE-O 2.88Å; R524-G530 PolarHBondContact NH2-O 3.48Å; S527-G530 PolarHBondContact O-N 2.89Å; S527-G530 PolarHBondContact OG-N 2.97Å
531	N	91.9	Very high	93.8	Very high	136 Å²	136	56.3 Å²	56.3	73%	0.727	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.1	178.3	-65.1	-27.7	0	0	0	113.8	Y529	Y529-N531 PolarHBondContact O-N 3.1Å
532	L	90.2	Very high	93.9	Very high	22 Å²	22	50.3 Å²	50.3	12%	0.115	26%	0.256	C	S	.	.	S	Bend	trans	-68.8	138.8	-178.5	-67	179.9	0	0	0	111.4	V424 P434 Y529 W535	V424-L532 HydrophobicContact CG2-CB 4.39Å; V424-L532 HydrophobicContact CG2-CD1 3.86Å; P434-L532 HydrophobicContact CB-CD1 4.15Å; Y529-L532 HydrophobicContact CD1-CD1 3.85Å; Y529-L532 WeakPolarHBondContact O-CB 3.28Å; Y529-L532 WeakPolarHBondContact O-CG 3.27Å; Y529-L532 PolarHBondContact O-N 3.29Å; L532-W535 VanDerWaalsContact O-CB 3.31Å; L532-W535 WeakPolarHBondContact O-CB 3.32Å; L532-W535 PolarHBondContact O-N 2.61Å
533	P	88.7	Confident	94	Very high	114 Å²	114	45.5 Å²	45.5	74%	0.74	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	138.2	168.8	28.1	-33.4	0	0	0	109.3	W535	P533-W535 VanDerWaalsContact C-N 3.29Å; P533-W535 PolarHBondContact O-N 3.47Å
534	G	89.8	Confident	94	Very high	32 Å²	32	44.8 Å²	44.8	33%	0.33	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	5	-175.6	0	0	0	0	0	115	V424 E425 R536	V424-G534 WeakPolarHBondContact CA-O 3.41Å; E425-G534 PolarHBondContact N-O 2.81Å; G534-R536 PolarHBondContact O-N 2.86Å
535	W	95.3	Very high	93.8	Very high	23 Å²	23	40 Å²	40	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	128.7	171.6	-177.2	95.3	0	0	0	110.7	E422 A423 I523 R524 L532 P533 L537	E422-W535 HydrophobicContact CB-CZ2 4.49Å; E422-W535 HydrophobicContact CG-CZ2 3.91Å; E422-W535 PolarHBondContact OE2-NE1 2.91Å; A423-W535 CarbonylContact O-C 3.5Å; A423-W535 WeakPolarHBondContact O-CA 3.27Å; I523-W535 HydrophobicContact CG2-CH2 4.49Å; I523-W535 HydrophobicContact CG2-CZ2 4.25Å; R524-W535 HydrophobicContact CB-CE3 4.29Å; R524-W535 HydrophobicContact CB-CH2 3.54Å; R524-W535 HydrophobicContact CB-CZ2 4.11Å; R524-W535 HydrophobicContact CB-CZ3 3.66Å; R524-W535 HydrophobicContact CG-CD2 4.26Å; R524-W535 HydrophobicContact CG-CE3 3.86Å; R524-W535 HydrophobicContact CG-CH2 4.01Å; R524-W535 HydrophobicContact CG-CZ2 4.38Å; R524-W535 HydrophobicContact CG-CZ3 3.74Å; L532-W535 VanDerWaalsContact O-CB 3.31Å; L532-W535 WeakPolarHBondContact O-CB 3.32Å; L532-W535 PolarHBondContact O-N 2.61Å; P533-W535 VanDerWaalsContact C-N 3.29Å; P533-W535 PolarHBondContact O-N 3.47Å; W535-L537 HydrophobicContact CH2-CB 3.8Å; W535-L537 HydrophobicContact CH2-CD1 4.39Å; W535-L537 HydrophobicContact CZ2-CB 4.42Å; W535-L537 HydrophobicContact CZ2-CD1 4.39Å; W535-L537 HydrophobicContact CZ3-CB 4.19Å
536	R	95	Very high	93.6	Very high	74 Å²	74	35.4 Å²	35.4	28%	0.279	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.3	177.3	-65	-173.3	-179.6	-152.8	0.2	110	A423 E425 G534 L538	A423-R536 PolarHBondContact N-O 2.8Å; A423-R536 PolarHBondContact O-N 2.89Å; E425-R536 VanDerWaalsContact CD-NH2 3.28Å; E425-R536 IonicContact OE1-CZ 2.69Å; E425-R536 IonicContact OE1-NH2 3.84Å; E425-R536 PolarHBondContact OE1-NH2 2.8Å; E425-R536 IonicContact OE2-CZ 2.6Å; E425-R536 IonicContact OE2-NE 2.68Å; E425-R536 PolarHBondContact OE2-NE 3.37Å; E425-R536 IonicContact OE2-NH2 2.8Å; E425-R536 PolarHBondContact OE2-NH2 3.18Å; G534-R536 PolarHBondContact O-N 2.86Å; R536-L538 HydrophobicContact CB-CD2 4.22Å
537	L	96.8	Very high	93.7	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.068	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.3	168.5	-169.1	69	0	0	0	108.9	Y420 E422 W516 A520 I523 W535	Y420-L537 HydrophobicContact CD1-CD2 4.44Å; E422-L537 HydrophobicContact CG-CD1 4.05Å; W516-L537 HydrophobicContact CH2-CB 4.25Å; W516-L537 HydrophobicContact CH2-CD2 3.87Å; W516-L537 HydrophobicContact CH2-CG 3.96Å; W516-L537 HydrophobicContact CZ2-CB 4.25Å; W516-L537 HydrophobicContact CZ2-CD2 4.41Å; W516-L537 HydrophobicContact CZ2-CG 4.45Å; W516-L537 VanDerWaalsContact CZ2-O 3.3Å; W516-L537 WeakPolarHBondContact CZ2-O 3.42Å; W516-L537 HydrophobicContact CZ3-CD2 4.29Å; A520-L537 HydrophobicContact CB-CD2 4.12Å; I523-L537 HydrophobicContact CB-CD2 4.32Å; I523-L537 HydrophobicContact CD1-CD1 4.36Å; I523-L537 HydrophobicContact CD1-CD2 3.72Å; I523-L537 HydrophobicContact CG2-CD1 3.87Å; I523-L537 HydrophobicContact CG2-CD2 4.46Å; W535-L537 HydrophobicContact CH2-CB 3.8Å; W535-L537 HydrophobicContact CH2-CD1 4.39Å; W535-L537 HydrophobicContact CZ2-CB 4.42Å; W535-L537 HydrophobicContact CZ2-CD1 4.39Å; W535-L537 HydrophobicContact CZ3-CB 4.19Å
538	L	96.9	Very high	93.8	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.2	-175.9	-55.8	-177.7	0	0	0	110	L388 Y391 F394 V421 A423 R536	L388-L538 HydrophobicContact CD1-CB 3.8Å; L388-L538 HydrophobicContact CD1-CD1 4.22Å; Y391-L538 HydrophobicContact CD2-CB 4.02Å; Y391-L538 HydrophobicContact CD2-CD1 4Å; Y391-L538 HydrophobicContact CD2-CD2 4.49Å; Y391-L538 HydrophobicContact CD2-CG 4.39Å; Y391-L538 HydrophobicContact CE2-CB 3.88Å; Y391-L538 HydrophobicContact CG-CD1 4.27Å; Y391-L538 HydrophobicContact CG-CD2 4.49Å; F394-L538 HydrophobicContact CE2-CD1 4.2Å; F394-L538 HydrophobicContact CE2-CD2 4.3Å; F394-L538 HydrophobicContact CZ-CD1 4.06Å; F394-L538 HydrophobicContact CZ-CD2 3.66Å; V421-L538 PolarHBondContact N-O 3Å; V421-L538 PolarHBondContact O-N 2.88Å; A423-L538 HydrophobicContact CB-CD1 3.83Å; A423-L538 HydrophobicContact CB-CG 4.34Å; R536-L538 HydrophobicContact CB-CD2 4.22Å
539	P	96.4	Very high	94	Very high	10 Å²	10	29.8 Å²	29.8	7%	0.065	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.6	178.7	37.2	-34.6	0	0	0	110.6	Y391 L419 Y420 W516 P591 V593	Y391-P539 WeakPolarHBondContact CE2-O 3.43Å; Y391-P539 WeakPolarHBondContact OH-CD 3.45Å; Y391-P539 PolarHBondContact OH-O 2.98Å; L419-P539 CarbonylContact O-C 3.57Å; L419-P539 WeakPolarHBondContact O-CA 3.01Å; Y420-P539 HydrophobicContact CD1-CB 4.08Å; Y420-P539 HydrophobicContact CE1-CB 4.22Å; W516-P539 HydrophobicContact CH2-CB 3.93Å; W516-P539 HydrophobicContact CH2-CG 3.73Å; W516-P539 HydrophobicContact CZ2-CG 4.43Å; W516-P539 HydrophobicContact CZ3-CB 3.88Å; W516-P539 HydrophobicContact CZ3-CG 3.94Å; P539-P591 HydrophobicContact CB-CG 3.57Å; P539-P591 HydrophobicContact CG-CG 3.96Å; P539-P591 WeakPolarHBondContact O-CD 3.38Å; P539-V593 HydrophobicContact CG-CG1 4.08Å
540	V	97.2	Very high	94.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	131.4	177.1	62.1	0	0	0	0	111	L388 I390 L419 V421 M588	L388-V540 HydrophobicContact CD1-CB 4.28Å; L388-V540 HydrophobicContact CD1-CG1 4.08Å; L388-V540 HydrophobicContact CD2-CG1 4.2Å; I390-V540 HydrophobicContact CG2-CG2 4.45Å; L419-V540 HydrophobicContact CB-CG1 3.91Å; L419-V540 HydrophobicContact CD1-CG1 4.38Å; L419-V540 PolarHBondContact N-O 3.38Å; L419-V540 PolarHBondContact O-N 2.92Å; V421-V540 HydrophobicContact CG2-CG1 4.05Å; V540-M588 HydrophobicContact CG2-CB 3.91Å; V540-M588 HydrophobicContact CG2-CG 4.12Å; V540-M588 HydrophobicContact CG2-SD 4.11Å
541	M	96	Very high	94.4	Very high	27 Å²	27	29.4 Å²	29.4	13%	0.133	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.6	171.9	176.2	169.6	49.1	0	0	109.4	L409 Y417 K543 M588 I589	L409-M541 HydrophobicContact CD1-CG 4.44Å; L409-M541 HydrophobicContact CD1-SD 3.54Å; L409-M541 VanDerWaalsContact CD1-SD 3.54Å; Y417-M541 WeakPolarHBondContact O-CA 3.47Å; M541-K543 HydrophobicContact CG-CG 4.25Å; M541-M588 CarbonylContact O-C 3.52Å; M541-M588 VanDerWaalsContact O-CA 3.27Å; M541-M588 WeakPolarHBondContact O-CA 3.31Å; M541-I589 HydrophobicContact CB-CB 4.46Å; M541-I589 WeakPolarHBondContact CB-O 3.49Å; M541-I589 HydrophobicContact CE-CB 3.67Å; M541-I589 HydrophobicContact CE-CD1 4.13Å; M541-I589 HydrophobicContact CE-CG1 4.44Å; M541-I589 HydrophobicContact CE-CG2 3.6Å; M541-I589 PolarHBondContact N-O 2.9Å; M541-I589 PolarHBondContact O-N 3.25Å
542	V	97	Very high	94.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.7	175	-175.1	0	0	0	0	108.6	P416 Y417 L419 T544 M588	P416-V542 WeakPolarHBondContact CA-O 3.21Å; Y417-V542 HydrophobicContact CD1-CB 4.26Å; Y417-V542 HydrophobicContact CE1-CB 3.63Å; Y417-V542 HydrophobicContact CE1-CG1 3.79Å; Y417-V542 HydrophobicContact CE1-CG2 4.48Å; Y417-V542 HydrophobicContact CE2-CB 4.01Å; Y417-V542 HydrophobicContact CE2-CG2 4.02Å; Y417-V542 VanDerWaalsContact CZ-CB 3.48Å; Y417-V542 PolarHBondContact N-O 2.68Å; Y417-V542 VanDerWaalsContact N-O 3.13Å; Y417-V542 PolarHBondContact O-N 3.26Å; Y417-V542 WeakPolarHBondContact OH-CG1 3.4Å; L419-V542 HydrophobicContact CD1-CG2 4.29Å; V542-T544 HydrophobicContact CG1-CG2 4.31Å; V542-M588 HydrophobicContact CG2-CE 4.46Å; V542-M588 HydrophobicContact CG2-CG 4.37Å
543	K	95.4	Very high	95.1	Very high	15 Å²	15	22.7 Å²	22.7	7%	0.065	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.3	175.2	-65	-159.9	165.8	-176.1	0	109.5	P416 M541 D546 L548 A586 G587 I589 D685	P416-K543 HydrophobicContact CB-CG 3.88Å; M541-K543 HydrophobicContact CG-CG 4.25Å; K543-D546 HydrophobicContact CB-CB 4.37Å; K543-L548 HydrophobicContact CB-CD1 4.41Å; K543-L548 HydrophobicContact CB-CD2 4.32Å; K543-L548 HydrophobicContact CD-CD2 3.97Å; K543-A586 WeakPolarHBondContact O-CA 3.44Å; K543-G587 PolarHBondContact N-O 2.92Å; K543-G587 PolarHBondContact O-N 2.94Å; K543-I589 HydrophobicContact CD-CD1 3.83Å; K543-I589 HydrophobicContact CG-CD1 4.43Å; K543-D685 IonicContact NZ-OD2 3.61Å; K543-D685 PolarHBondContact NZ-OD2 3.17Å
544	T	94.4	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.4	173.9	66.6	0	0	0	0	110.9	G355 R359 V542 D585 A586	G355-T544 VanDerWaalsContact C-OG1 3.23Å; G355-T544 PolarHBondContact O-OG1 2.7Å; R359-T544 WeakPolarHBondContact CD-O 3.19Å; R359-T544 WeakPolarHBondContact CD-OG1 3.42Å; V542-T544 HydrophobicContact CG1-CG2 4.31Å; T544-D585 CarbonylContact C-O 3.07Å; T544-A586 HydrophobicContact CG2-CB 4.29Å
545	G	91.2	Very high	95.9	Very high	14 Å²	14	17.9 Å²	17.9	14%	0.144	9%	0.086	C	C	.	.	S	Bend	trans	77.4	-0.1	-165.3	0	0	0	0	0	115.2	K414 D585	K414-G545 PolarHBondContact NZ-O 3.46Å; G545-D585 CarbonylContact C-O 3.54Å; G545-D585 WeakPolarHBondContact CA-O 3.45Å; G545-D585 PolarHBondContact N-O 3.44Å
546	D	90.8	Very high	96	Very high	38 Å²	38	16.9 Å²	16.9	20%	0.203	8%	0.082	C	C	.	.	S	Bend	trans	-111.8	138.2	-179.6	-66.1	-39.2	0	0	0	111	K414 K543 L548 D585 A586	K414-D546 VanDerWaalsContact CD-OD1 3.26Å; K414-D546 WeakPolarHBondContact CD-OD1 3.32Å; K414-D546 VanDerWaalsContact CE-OD1 3.23Å; K414-D546 WeakPolarHBondContact CE-OD1 3.26Å; K414-D546 VanDerWaalsContact CG-OD1 3.32Å; K414-D546 WeakPolarHBondContact CG-OD1 3.46Å; K414-D546 IonicContact NZ-OD1 2.65Å; K543-D546 HydrophobicContact CB-CB 4.37Å; D546-L548 HydrophobicContact CB-CD2 4.08Å; D546-L548 PolarHBondContact O-N 2.83Å; D546-D585 PolarHBondContact N-O 3.35Å; D546-D585 CarbonylContact O-C 3.54Å; D546-D585 VanDerWaalsContact O-CA 3.3Å; D546-D585 WeakPolarHBondContact O-CA 3.39Å; D546-A586 PolarHBondContact O-N 2.87Å
547	D	93.4	Very high	96.2	Very high	44 Å²	44	13.4 Å²	13.4	24%	0.235	7%	0.069	C	C	.	.			trans	-89.5	97.5	177.6	-178.2	5	0	0	0	111	R549 R584 L756	D547-R549 VanDerWaalsContact CG-NH2 3.34Å; D547-R549 PolarHBondContact O-N 2.82Å; D547-R549 VanDerWaalsContact OD1-CB 3.3Å; D547-R549 WeakPolarHBondContact OD1-CB 3.47Å; D547-R549 VanDerWaalsContact OD1-CG 3.31Å; D547-R549 WeakPolarHBondContact OD1-CG 3.07Å; D547-R549 IonicContact OD1-CZ 2.71Å; D547-R549 PolarHBondContact OD1-N 2.74Å; D547-R549 VanDerWaalsContact OD1-N 3.1Å; D547-R549 IonicContact OD1-NE 3.88Å; D547-R549 PolarHBondContact OD1-NE 3.42Å; D547-R549 IonicContact OD1-NH2 2.71Å; D547-R549 IonicContact OD2-CZ 3.91Å; D547-R549 VanDerWaalsContact OD2-CZ 3.26Å; D547-R549 IonicContact OD2-NE 3.24Å; D547-R549 PolarHBondContact OD2-NE 2.82Å; D547-R549 IonicContact OD2-NH2 3.99Å; D547-R549 PolarHBondContact OD2-NH2 3.46Å; D547-R584 WeakPolarHBondContact CA-O 3.43Å; D547-R584 VanDerWaalsContact CB-O 3.28Å; D547-R584 WeakPolarHBondContact CB-O 3.36Å; D547-L756 VanDerWaalsContact OD2-CD2 3.27Å; D547-L756 WeakPolarHBondContact OD2-CD2 3.44Å
548	L	96.2	Very high	96.2	Very high	6 Å²	6	12.9 Å²	12.9	3%	0.031	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	5.6	-177.2	-54.1	-164.8	0	0	0	114.2	K543 D546 Q550 E551 L552 T579 V581 I589	K543-L548 HydrophobicContact CB-CD1 4.41Å; K543-L548 HydrophobicContact CB-CD2 4.32Å; K543-L548 HydrophobicContact CD-CD2 3.97Å; D546-L548 HydrophobicContact CB-CD2 4.08Å; D546-L548 PolarHBondContact O-N 2.83Å; L548-Q550 VanDerWaalsContact C-N 3.31Å; L548-Q550 PolarHBondContact O-N 3.27Å; L548-E551 HydrophobicContact CB-CB 4.35Å; L548-E551 WeakPolarHBondContact O-CB 3.12Å; L548-E551 PolarHBondContact O-N 2.99Å; L548-L552 WeakPolarHBondContact O-CB 3.32Å; L548-L552 PolarHBondContact O-N 3.46Å; L548-T579 HydrophobicContact CB-CG2 4.09Å; L548-T579 HydrophobicContact CD1-CG2 4.33Å; L548-V581 HydrophobicContact CB-CG2 4.18Å; L548-I589 HydrophobicContact CD1-CD1 4.14Å; L548-I589 HydrophobicContact CD1-CG1 3.85Å; L548-I589 HydrophobicContact CD2-CD1 4.23Å
549	R	96.9	Very high	96.3	Very high	23 Å²	23	13 Å²	13	9%	0.087	7%	0.067	C	C	.	.	H	α-helix	trans	-66.1	-33.9	178.1	-68.4	174.3	-72.1	168.5	7.8	112.5	A214 F215 D547 L553 V581 L756	A214-R549 HydrophobicContact CB-CG 4.42Å; A214-R549 WeakPolarHBondContact O-CD 3.45Å; A214-R549 PolarHBondContact O-NH1 2.88Å; F215-R549 HydrophobicContact CD1-CG 4.3Å; F215-R549 HydrophobicContact CE1-CB 4.3Å; F215-R549 HydrophobicContact CE1-CG 3.82Å; D547-R549 VanDerWaalsContact CG-NH2 3.34Å; D547-R549 PolarHBondContact O-N 2.82Å; D547-R549 VanDerWaalsContact OD1-CB 3.3Å; D547-R549 WeakPolarHBondContact OD1-CB 3.47Å; D547-R549 VanDerWaalsContact OD1-CG 3.31Å; D547-R549 WeakPolarHBondContact OD1-CG 3.07Å; D547-R549 IonicContact OD1-CZ 2.71Å; D547-R549 PolarHBondContact OD1-N 2.74Å; D547-R549 VanDerWaalsContact OD1-N 3.1Å; D547-R549 IonicContact OD1-NE 3.88Å; D547-R549 PolarHBondContact OD1-NE 3.42Å; D547-R549 IonicContact OD1-NH2 2.71Å; D547-R549 IonicContact OD2-CZ 3.91Å; D547-R549 VanDerWaalsContact OD2-CZ 3.26Å; D547-R549 IonicContact OD2-NE 3.24Å; D547-R549 PolarHBondContact OD2-NE 2.82Å; D547-R549 IonicContact OD2-NH2 3.99Å; D547-R549 PolarHBondContact OD2-NH2 3.46Å; R549-L553 PolarHBondContact O-N 2.97Å; R549-L553 VanDerWaalsContact O-N 3.12Å; R549-V581 HydrophobicContact CG-CG1 3.95Å; R549-V581 HydrophobicContact CG-CG2 4.24Å; R549-L756 HydrophobicContact CB-CD1 3.98Å; R549-L756 HydrophobicContact CB-CD2 3.84Å; R549-L756 VanDerWaalsContact CZ-CD2 3.46Å
550	Q	96.3	Very high	96.3	Very high	13 Å²	13	12.7 Å²	12.7	6%	0.061	7%	0.065	C	C	.	.	H	α-helix	trans	-71.4	-40.4	173.9	-65.8	-171.4	78	0	0	111.4	L548 L552 L553 A554 G687 I689 S692 L756	L548-Q550 VanDerWaalsContact C-N 3.31Å; L548-Q550 PolarHBondContact O-N 3.27Å; Q550-L552 VanDerWaalsContact C-N 3.35Å; Q550-L552 PolarHBondContact O-N 3.07Å; Q550-L553 WeakPolarHBondContact O-CB 3.38Å; Q550-L553 PolarHBondContact O-N 3.04Å; Q550-A554 PolarHBondContact O-N 3.18Å; Q550-G687 PolarHBondContact NE2-O 3.13Å; Q550-G687 VanDerWaalsContact NE2-O 3.08Å; Q550-G687 PolarHBondContact OE1-O 2.83Å; Q550-I689 HydrophobicContact CB-CD1 4.42Å; Q550-I689 HydrophobicContact CB-CG1 4.49Å; Q550-S692 PolarHBondContact OE1-OG 3.39Å; Q550-L756 HydrophobicContact CG-CD1 4.47Å; Q550-L756 HydrophobicContact CG-CD2 4.37Å
551	E	97	Very high	96.4	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.019	7%	0.065	C	C	.	.	H	α-helix	trans	-59.9	-44.2	173.2	-165.8	75.7	-156.9	0	0	111.4	L548 L553 A554 Y555 Y577 T579 I589 F686	L548-E551 HydrophobicContact CB-CB 4.35Å; L548-E551 WeakPolarHBondContact O-CB 3.12Å; L548-E551 PolarHBondContact O-N 2.99Å; E551-L553 PolarHBondContact O-N 3.24Å; E551-A554 PolarHBondContact O-N 3.5Å; E551-Y555 WeakPolarHBondContact O-CB 3.45Å; E551-Y555 PolarHBondContact O-N 3.48Å; E551-Y577 WeakPolarHBondContact OE1-CE2 3.41Å; E551-Y577 PolarHBondContact OE1-OH 2.84Å; E551-T579 HydrophobicContact CB-CG2 4.04Å; E551-T579 HydrophobicContact CG-CG2 3.94Å; E551-I589 HydrophobicContact CG-CD1 4.1Å; E551-F686 WeakPolarHBondContact OE1-CD2 3.42Å; E551-F686 PolarHBondContact OE1-N 3.06Å; E551-F686 WeakPolarHBondContact OE2-CA 3.25Å; E551-F686 PolarHBondContact OE2-N 3.44Å
552	L	97.8	Very high	96.5	Very high	15 Å²	15	11.8 Å²	11.8	8%	0.079	6%	0.06	C	C	.	.	H	α-helix	trans	-60.9	-42.3	175.7	175.2	62.6	0	0	0	111.9	P165 L211 L548 Q550 Y555 Q556 T579 V581	P165-L552 HydrophobicContact CB-CD2 4.21Å; P165-L552 HydrophobicContact CG-CD2 3.8Å; P165-L552 HydrophobicContact CG-CG 4.39Å; L211-L552 HydrophobicContact CD2-CD2 4.14Å; L548-L552 WeakPolarHBondContact O-CB 3.32Å; L548-L552 PolarHBondContact O-N 3.46Å; Q550-L552 VanDerWaalsContact C-N 3.35Å; Q550-L552 PolarHBondContact O-N 3.07Å; L552-Y555 HydrophobicContact CD1-CD1 4.28Å; L552-Y555 WeakPolarHBondContact O-CB 3.48Å; L552-Y555 PolarHBondContact O-N 2.93Å; L552-Q556 WeakPolarHBondContact O-CG 3.49Å; L552-Q556 PolarHBondContact O-N 3.07Å; L552-T579 HydrophobicContact CB-CG2 4.18Å; L552-V581 HydrophobicContact CB-CG2 3.91Å; L552-V581 HydrophobicContact CD2-CB 4.4Å; L552-V581 HydrophobicContact CD2-CG2 3.65Å; L552-V581 HydrophobicContact CG-CG2 4.39Å
553	L	98	Very high	96.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-61.9	-46.7	174.8	177.5	61.5	0	0	0	110.8	R549 Q550 E551 Y555 Q556 I557 I689 I746 V747 M750 F759	R549-L553 PolarHBondContact O-N 2.97Å; R549-L553 VanDerWaalsContact O-N 3.12Å; Q550-L553 WeakPolarHBondContact O-CB 3.38Å; Q550-L553 PolarHBondContact O-N 3.04Å; E551-L553 PolarHBondContact O-N 3.24Å; L553-Y555 VanDerWaalsContact C-N 3.34Å; L553-Y555 PolarHBondContact O-N 2.98Å; L553-Q556 PolarHBondContact O-N 3.36Å; L553-I557 HydrophobicContact CD1-CG1 4.45Å; L553-I557 WeakPolarHBondContact O-CG1 3.43Å; L553-I557 PolarHBondContact O-N 2.83Å; L553-I689 HydrophobicContact CD2-CD1 4.09Å; L553-I689 HydrophobicContact CG-CD1 4.38Å; L553-I746 HydrophobicContact CD1-CG2 3.72Å; L553-V747 HydrophobicContact CD1-CG2 4.42Å; L553-M750 HydrophobicContact CD1-CB 4.41Å; L553-M750 HydrophobicContact CD1-CG 4.2Å; L553-F759 HydrophobicContact CD2-CE1 4.3Å; L553-F759 HydrophobicContact CD2-CE2 4.32Å; L553-F759 HydrophobicContact CD2-CZ 3.58Å
554	A	97.9	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.6	-44.2	176.6	0	0	0	0	0	111.7	Q550 E551 Q556 I557 M558 M659 L663 F686 I689	Q550-A554 PolarHBondContact O-N 3.18Å; E551-A554 PolarHBondContact O-N 3.5Å; A554-Q556 PolarHBondContact O-N 3.07Å; A554-I557 PolarHBondContact O-N 3.04Å; A554-M558 VanDerWaalsContact O-CG 3.32Å; A554-M558 WeakPolarHBondContact O-CG 3.47Å; A554-M558 PolarHBondContact O-N 3.5Å; A554-M659 HydrophobicContact CB-CE 4.29Å; A554-L663 HydrophobicContact CB-CD1 4.5Å; A554-F686 HydrophobicContact CB-CB 3.41Å; A554-F686 VanDerWaalsContact CB-CB 3.41Å; A554-F686 HydrophobicContact CB-CD1 4.36Å; A554-F686 HydrophobicContact CB-CD2 3.91Å; A554-F686 HydrophobicContact CB-CG 3.65Å; A554-I689 HydrophobicContact CB-CD1 4.49Å
555	Y	98	Very high	96.8	Very high	45 Å²	45	13 Å²	13	18%	0.176	7%	0.067	C	C	.	.	H	α-helix	trans	-55.3	-49.4	173.7	167.5	-102.6	0	0	0	112	E551 L552 L553 I557 M558 C559 Y577 K578	E551-Y555 WeakPolarHBondContact O-CB 3.45Å; E551-Y555 PolarHBondContact O-N 3.48Å; L552-Y555 HydrophobicContact CD1-CD1 4.28Å; L552-Y555 WeakPolarHBondContact O-CB 3.48Å; L552-Y555 PolarHBondContact O-N 2.93Å; L553-Y555 VanDerWaalsContact C-N 3.34Å; L553-Y555 PolarHBondContact O-N 2.98Å; Y555-I557 VanDerWaalsContact C-N 3.32Å; Y555-I557 PolarHBondContact O-N 2.71Å; Y555-M558 PolarHBondContact O-N 3.37Å; Y555-C559 VanDerWaalsContact CZ-SG 3.55Å; Y555-C559 PolarHBondContact O-N 2.87Å; Y555-C559 PolarHBondContact O-SG 3.47Å; Y555-C559 VanDerWaalsContact O-SG 3.34Å; Y555-Y577 WeakPolarHBondContact CD2-O 3.48Å; Y555-Y577 WeakPolarHBondContact CE2-O 3.16Å; Y555-K578 HydrophobicContact CE2-CG 4.28Å
556	Q	97.8	Very high	97.1	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-40.7	178.1	-71.2	-175.6	-66.6	0	0	111.9	F162 L552 L553 A554 C559 Q560 I746	F162-Q556 HydrophobicContact CE2-CB 4.39Å; F162-Q556 HydrophobicContact CE2-CG 4.23Å; F162-Q556 HydrophobicContact CZ-CB 3.96Å; F162-Q556 HydrophobicContact CZ-CG 4.14Å; F162-Q556 PolarHBondContact O-NE2 3.34Å; L552-Q556 WeakPolarHBondContact O-CG 3.49Å; L552-Q556 PolarHBondContact O-N 3.07Å; L553-Q556 PolarHBondContact O-N 3.36Å; A554-Q556 PolarHBondContact O-N 3.07Å; Q556-C559 PolarHBondContact O-N 3.39Å; Q556-Q560 WeakPolarHBondContact O-CG 3.41Å; Q556-Q560 PolarHBondContact O-N 2.87Å; Q556-Q560 VanDerWaalsContact O-N 3.09Å; Q556-I746 HydrophobicContact CB-CG2 4.46Å
557	I	98.2	Very high	97.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-67.7	-39.7	176.6	-62	-44.6	0	0	0	111.9	L553 A554 Y555 C559 Q560 L561 M659 L663 I743 I746 V747	L553-I557 HydrophobicContact CD1-CG1 4.45Å; L553-I557 WeakPolarHBondContact O-CG1 3.43Å; L553-I557 PolarHBondContact O-N 2.83Å; A554-I557 PolarHBondContact O-N 3.04Å; Y555-I557 VanDerWaalsContact C-N 3.32Å; Y555-I557 PolarHBondContact O-N 2.71Å; I557-C559 VanDerWaalsContact C-N 3.33Å; I557-C559 PolarHBondContact O-N 3.33Å; I557-Q560 PolarHBondContact O-N 3.28Å; I557-L561 HydrophobicContact CG2-CD1 3.98Å; I557-L561 HydrophobicContact CG2-CG 4.31Å; I557-L561 PolarHBondContact O-N 3.39Å; I557-M659 HydrophobicContact CB-CE 4.47Å; I557-M659 HydrophobicContact CG2-CE 4.37Å; I557-M659 HydrophobicContact CG2-SD 4.1Å; I557-L663 HydrophobicContact CB-CD1 4.05Å; I557-L663 HydrophobicContact CG1-CD1 4.24Å; I557-L663 HydrophobicContact CG1-CD2 4.4Å; I557-L663 HydrophobicContact CG2-CD1 4.01Å; I557-L663 HydrophobicContact CG2-CD2 4.12Å; I557-L663 HydrophobicContact CG2-CG 4.19Å; I557-I743 HydrophobicContact CD1-CB 4.47Å; I557-I743 HydrophobicContact CD1-CG2 3.93Å; I557-I743 HydrophobicContact CG2-CG1 4.48Å; I557-I743 HydrophobicContact CG2-CG2 4.17Å; I557-I746 HydrophobicContact CD1-CB 3.93Å; I557-I746 HydrophobicContact CD1-CD1 4.18Å; I557-I746 HydrophobicContact CD1-CG2 3.68Å; I557-V747 HydrophobicContact CD1-CG2 4.15Å; I557-V747 HydrophobicContact CG1-CG2 4.49Å
558	M	98	Very high	97.5	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-43.5	174.6	-71.5	172.8	52.8	0	0	111.7	A554 Y555 Q560 L561 Q562 L574 R575 L576 Y577 Y656 M659 F686	A554-M558 VanDerWaalsContact O-CG 3.32Å; A554-M558 WeakPolarHBondContact O-CG 3.47Å; A554-M558 PolarHBondContact O-N 3.5Å; Y555-M558 PolarHBondContact O-N 3.37Å; M558-Q560 VanDerWaalsContact C-N 3.35Å; M558-Q560 PolarHBondContact O-N 3.12Å; M558-L561 PolarHBondContact O-N 2.84Å; M558-Q562 WeakPolarHBondContact O-CB 3.39Å; M558-Q562 PolarHBondContact O-N 3.28Å; M558-L574 HydrophobicContact CB-CD1 4.05Å; M558-L574 HydrophobicContact CE-CB 4.29Å; M558-L574 HydrophobicContact CG-CD1 4.21Å; M558-R575 WeakPolarHBondContact CE-O 3.27Å; M558-L576 HydrophobicContact CB-CD2 3.65Å; M558-L576 HydrophobicContact CE-CD2 4.16Å; M558-Y577 HydrophobicContact CE-CE1 4.49Å; M558-Y656 HydrophobicContact CE-CE1 4.25Å; M558-M659 HydrophobicContact CG-CE 3.43Å; M558-M659 VanDerWaalsContact CG-CE 3.43Å; M558-M659 HydrophobicContact CG-CG 4.44Å; M558-M659 HydrophobicContact CG-SD 4.04Å; M558-M659 HydrophobicContact SD-CE 4.25Å; M558-F686 HydrophobicContact CE-CE2 4.49Å; M558-F686 HydrophobicContact SD-CD2 4.25Å; M558-F686 HydrophobicContact SD-CE2 3.47Å; M558-F686 WeakPolarHBondContact SD-CE2 3.4Å; M558-F686 HydrophobicContact SD-CZ 3.83Å
559	C	97.6	Very high	97.6	Very high	12 Å²	12	29.6 Å²	29.6	8%	0.081	13%	0.132	C	C	.	.	H	α-helix	trans	-58.1	-47	174.3	-68.8	0	0	0	0	111.3	F162 Y555 Q556 I557 Q562 E563	F162-C559 HydrophobicContact CE2-CB 3.66Å; F162-C559 HydrophobicContact CZ-CB 4.02Å; Y555-C559 VanDerWaalsContact CZ-SG 3.55Å; Y555-C559 PolarHBondContact O-N 2.87Å; Y555-C559 PolarHBondContact O-SG 3.47Å; Y555-C559 VanDerWaalsContact O-SG 3.34Å; Q556-C559 PolarHBondContact O-N 3.39Å; I557-C559 VanDerWaalsContact C-N 3.33Å; I557-C559 PolarHBondContact O-N 3.33Å; C559-Q562 PolarHBondContact O-N 3.38Å; C559-E563 WeakPolarHBondContact O-CB 3.46Å; C559-E563 PolarHBondContact O-N 2.67Å
560	Q	97.4	Very high	97.7	Very high	4 Å²	4	29 Å²	29	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-45.3	178	-69	-59.5	-66.2	0	0	112.1	F162 Q556 I557 M558 E563 I564 I743 I746	F162-Q560 HydrophobicContact CE1-CG 4.44Å; F162-Q560 VanDerWaalsContact CE1-NE2 3.28Å; F162-Q560 HydrophobicContact CZ-CG 4.27Å; Q556-Q560 WeakPolarHBondContact O-CG 3.41Å; Q556-Q560 PolarHBondContact O-N 2.87Å; Q556-Q560 VanDerWaalsContact O-N 3.09Å; I557-Q560 PolarHBondContact O-N 3.28Å; M558-Q560 VanDerWaalsContact C-N 3.35Å; M558-Q560 PolarHBondContact O-N 3.12Å; Q560-E563 PolarHBondContact O-N 3.37Å; Q560-I564 WeakPolarHBondContact O-CB 3.35Å; Q560-I564 WeakPolarHBondContact O-CD1 3.28Å; Q560-I564 WeakPolarHBondContact O-CG1 3.19Å; Q560-I564 PolarHBondContact O-N 2.88Å; Q560-I743 HydrophobicContact CB-CG1 4.38Å; Q560-I746 HydrophobicContact CG-CD1 3.46Å; Q560-I746 VanDerWaalsContact CG-CD1 3.46Å
561	L	98.4	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-45.6	178	-77.8	170.4	0	0	0	111.8	I557 M558 E563 I564 W565 L574 M659 L662 A736 I743	I557-L561 HydrophobicContact CG2-CD1 3.98Å; I557-L561 HydrophobicContact CG2-CG 4.31Å; I557-L561 PolarHBondContact O-N 3.39Å; M558-L561 PolarHBondContact O-N 2.84Å; L561-E563 VanDerWaalsContact C-N 3.3Å; L561-E563 PolarHBondContact O-N 3.35Å; L561-I564 PolarHBondContact O-N 3.28Å; L561-W565 HydrophobicContact CB-CE3 4.38Å; L561-W565 HydrophobicContact CB-CH2 4.02Å; L561-W565 HydrophobicContact CB-CZ2 4.19Å; L561-W565 HydrophobicContact CB-CZ3 4.11Å; L561-W565 HydrophobicContact CD1-CH2 4.32Å; L561-W565 HydrophobicContact CD2-CZ2 3.97Å; L561-W565 HydrophobicContact CG-CZ2 4.47Å; L561-W565 VanDerWaalsContact O-CD2 3.29Å; L561-W565 VanDerWaalsContact O-CG 3.31Å; L561-W565 PolarHBondContact O-N 2.91Å; L561-L574 HydrophobicContact CB-CD1 4.22Å; L561-M659 HydrophobicContact CD1-CB 4.45Å; L561-M659 HydrophobicContact CD1-SD 3.5Å; L561-M659 VanDerWaalsContact CD1-SD 3.5Å; L561-L662 HydrophobicContact CD2-CD1 4.09Å; L561-A736 HydrophobicContact CD2-CB 4.01Å; L561-I743 HydrophobicContact CD2-CD1 3.5Å; L561-I743 HydrophobicContact CG-CD1 3.88Å
562	Q	98.3	Very high	97.8	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-41.8	176.9	-175.9	63.6	62.9	0	0	111.4	M558 C559 N566 L572 L576	M558-Q562 WeakPolarHBondContact O-CB 3.39Å; M558-Q562 PolarHBondContact O-N 3.28Å; C559-Q562 PolarHBondContact O-N 3.38Å; Q562-N566 PolarHBondContact NE2-OD1 3.4Å; Q562-N566 WeakPolarHBondContact O-CB 3.38Å; Q562-N566 PolarHBondContact O-N 2.79Å; Q562-N566 PolarHBondContact O-ND2 3.35Å; Q562-N566 PolarHBondContact O-OD1 3.02Å; Q562-L572 PolarHBondContact NE2-O 2.97Å; Q562-L572 VanDerWaalsContact NE2-O 3.14Å; Q562-L576 HydrophobicContact CB-CD1 4.33Å; Q562-L576 HydrophobicContact CB-CD2 4.38Å; Q562-L576 HydrophobicContact CG-CD1 4.38Å
563	E	96.5	Very high	97.8	Very high	42 Å²	42	34.6 Å²	34.6	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-41.1	177	-162.5	-160.7	128.9	0	0	112	R115 C559 Q560 L561 N566 L567 R742	R115-E563 IonicContact CZ-OE1 2.86Å; R115-E563 IonicContact NH1-OE1 3.2Å; R115-E563 PolarHBondContact NH1-OE1 2.81Å; C559-E563 WeakPolarHBondContact O-CB 3.46Å; C559-E563 PolarHBondContact O-N 2.67Å; Q560-E563 PolarHBondContact O-N 3.37Å; L561-E563 VanDerWaalsContact C-N 3.3Å; L561-E563 PolarHBondContact O-N 3.35Å; E563-N566 PolarHBondContact O-N 3.21Å; E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 PolarHBondContact O-N 2.76Å; E563-R742 IonicContact OE1-CZ 2.69Å; E563-R742 IonicContact OE1-NH1 2.72Å; E563-R742 PolarHBondContact OE1-NH1 2.64Å; E563-R742 VanDerWaalsContact OE1-NH1 3.14Å; E563-R742 IonicContact OE1-NH2 2.62Å; E563-R742 PolarHBondContact OE1-NH2 2.64Å; E563-R742 IonicContact OE2-CZ 3.91Å; E563-R742 IonicContact OE2-NH2 2.73Å; E563-R742 PolarHBondContact OE2-NH2 2.66Å
564	I	97.9	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-47.6	175.5	-72.1	161.9	0	0	0	110.7	Q560 L561 N566 L567 E568 A735 H739 I743	Q560-I564 WeakPolarHBondContact O-CB 3.35Å; Q560-I564 WeakPolarHBondContact O-CD1 3.28Å; Q560-I564 WeakPolarHBondContact O-CG1 3.19Å; Q560-I564 PolarHBondContact O-N 2.88Å; L561-I564 PolarHBondContact O-N 3.28Å; I564-N566 PolarHBondContact O-N 2.9Å; I564-L567 WeakPolarHBondContact O-CB 3.47Å; I564-L567 PolarHBondContact O-N 3.39Å; I564-E568 PolarHBondContact O-N 2.72Å; I564-A735 HydrophobicContact CG2-CB 4.18Å; I564-A735 WeakPolarHBondContact CG2-O 3.48Å; I564-H739 HydrophobicContact CB-CB 4.5Å; I564-H739 HydrophobicContact CD1-CB 3.63Å; I564-H739 HydrophobicContact CG1-CB 3.66Å; I564-H739 HydrophobicContact CG2-CB 4.01Å; I564-I743 HydrophobicContact CD1-CD1 4.19Å; I564-I743 HydrophobicContact CD1-CG1 4.46Å
565	W	98.5	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-37.6	179.2	-63.6	-33.2	0	0	0	112.2	L561 L567 E568 R569 V570 L572 L574 A655 L658 G732	L561-W565 HydrophobicContact CB-CE3 4.38Å; L561-W565 HydrophobicContact CB-CH2 4.02Å; L561-W565 HydrophobicContact CB-CZ2 4.19Å; L561-W565 HydrophobicContact CB-CZ3 4.11Å; L561-W565 HydrophobicContact CD1-CH2 4.32Å; L561-W565 HydrophobicContact CD2-CZ2 3.97Å; L561-W565 HydrophobicContact CG-CZ2 4.47Å; L561-W565 VanDerWaalsContact O-CD2 3.29Å; L561-W565 VanDerWaalsContact O-CG 3.31Å; L561-W565 PolarHBondContact O-N 2.91Å; W565-L567 PolarHBondContact O-N 3.24Å; W565-E568 PolarHBondContact O-N 3.48Å; W565-R569 PolarHBondContact O-N 2.83Å; W565-V570 HydrophobicContact CB-CB 4.23Å; W565-V570 PolarHBondContact O-N 3.14Å; W565-L572 HydrophobicContact CB-CB 4.37Å; W565-L572 HydrophobicContact CD2-CB 3.77Å; W565-L572 HydrophobicContact CD2-CD1 3.76Å; W565-L572 HydrophobicContact CD2-CG 4.4Å; W565-L572 HydrophobicContact CE3-CB 3.56Å; W565-L572 HydrophobicContact CE3-CD1 4.15Å; W565-L572 HydrophobicContact CG-CB 4.14Å; W565-L572 HydrophobicContact CG-CD1 4.18Å; W565-L572 HydrophobicContact CH2-CD1 4.23Å; W565-L572 HydrophobicContact CZ2-CD1 3.84Å; W565-L572 HydrophobicContact CZ3-CB 4.07Å; W565-L572 HydrophobicContact CZ3-CD1 4.36Å; W565-L574 HydrophobicContact CE3-CD1 4.41Å; W565-L574 HydrophobicContact CH2-CD1 4.1Å; W565-L574 HydrophobicContact CH2-CG 4.49Å; W565-L574 HydrophobicContact CZ3-CD1 3.5Å; W565-L574 HydrophobicContact CZ3-CD2 4.42Å; W565-L574 HydrophobicContact CZ3-CG 3.73Å; W565-A655 HydrophobicContact CH2-CB 3.97Å; W565-A655 HydrophobicContact CZ3-CB 3.67Å; W565-L658 HydrophobicContact CZ2-CB 4.2Å; W565-L658 HydrophobicContact CZ2-CD1 3.92Å; W565-G732 PolarHBondContact NE1-O 2.99Å
566	N	97.6	Very high	97.8	Very high	64 Å²	64	39.3 Å²	39.3	34%	0.342	18%	0.177	S	C	.	.	H	α-helix	trans	-61.7	-43.3	171.8	-68.8	-13.8	0	0	0	111.7	Q562 E563 I564 R569	Q562-N566 PolarHBondContact NE2-OD1 3.4Å; Q562-N566 WeakPolarHBondContact O-CB 3.38Å; Q562-N566 PolarHBondContact O-N 2.79Å; Q562-N566 PolarHBondContact O-ND2 3.35Å; Q562-N566 PolarHBondContact O-OD1 3.02Å; E563-N566 PolarHBondContact O-N 3.21Å; I564-N566 PolarHBondContact O-N 2.9Å; N566-R569 PolarHBondContact O-N 2.74Å
567	L	96.4	Very high	97.7	Very high	97 Å²	97	39.6 Å²	39.6	51%	0.508	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-44.4	179.6	179.6	65.2	0	0	0	112	E563 I564 W565 R569	E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 PolarHBondContact O-N 2.76Å; I564-L567 WeakPolarHBondContact O-CB 3.47Å; I564-L567 PolarHBondContact O-N 3.39Å; W565-L567 PolarHBondContact O-N 3.24Å; L567-R569 PolarHBondContact O-N 2.9Å
568	E	97.7	Very high	97.6	Very high	60 Å²	60	41.4 Å²	41.4	28%	0.28	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.8	178.8	-63	-68.7	140.3	0	0	113	I564 W565 V570 A735 K738 H739	I564-E568 PolarHBondContact O-N 2.72Å; W565-E568 PolarHBondContact O-N 3.48Å; E568-V570 HydrophobicContact CB-CG2 4.06Å; E568-V570 PolarHBondContact O-N 2.95Å; E568-A735 HydrophobicContact CB-CB 3.77Å; E568-A735 HydrophobicContact CG-CB 3.75Å; E568-K738 WeakPolarHBondContact OE2-CD 3.16Å; E568-K738 IonicContact OE2-NZ 3.84Å; E568-K738 PolarHBondContact OE2-NZ 2.83Å; E568-H739 IonicContact OE1-CD2 3.51Å; E568-H739 IonicContact OE1-CE1 2.69Å; E568-H739 IonicContact OE1-NE2 2.94Å; E568-H739 PolarHBondContact OE1-NE2 3.5Å
569	R	98	Very high	97.5	Very high	228 Å²	228	42 Å²	42	86%	0.86	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	32.2	-179.5	-53.5	179.6	-178.5	-178.7	-0.8	113.9	W565 N566 L567	W565-R569 PolarHBondContact O-N 2.83Å; N566-R569 PolarHBondContact O-N 2.74Å; L567-R569 PolarHBondContact O-N 2.9Å
570	V	98.2	Very high	97.5	Very high	12 Å²	12	42.1 Å²	42.1	7%	0.073	19%	0.189	C	C	.	.			trans	-87.1	123.5	173.8	-172.1	0	0	0	0	108.2	W565 E568 L572 Q731 A735	W565-V570 HydrophobicContact CB-CB 4.23Å; W565-V570 PolarHBondContact O-N 3.14Å; E568-V570 HydrophobicContact CB-CG2 4.06Å; E568-V570 PolarHBondContact O-N 2.95Å; V570-L572 HydrophobicContact CG1-CD1 4.08Å; V570-L572 HydrophobicContact CG1-CG 3.84Å; V570-L572 PolarHBondContact O-N 3.23Å; V570-Q731 HydrophobicContact CG1-CB 3.91Å; V570-Q731 HydrophobicContact CG2-CB 4.27Å; V570-A735 HydrophobicContact CG2-CB 3.96Å
571	P	97.7	Very high	97.6	Very high	47 Å²	47	42.1 Å²	42.1	31%	0.305	19%	0.19	S	C	.	.			trans	-80	39.4	-171.4	35.4	-38.3	0	0	0	113	R651 L728	P571-R651 WeakPolarHBondContact O-CB 3.48Å; P571-R651 VanDerWaalsContact O-CD 3.25Å; P571-R651 WeakPolarHBondContact O-CD 3.35Å; P571-R651 WeakPolarHBondContact O-CG 3.39Å; P571-L728 HydrophobicContact CG-CD2 3.64Å
572	L	98.5	Very high	97.5	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	19%	0.194	C	C	.	.			trans	-82.4	143	174.1	-72.1	-179.2	0	0	0	110.7	Q562 W565 V570 R651 A654 A655 L658 L728	Q562-L572 PolarHBondContact NE2-O 2.97Å; Q562-L572 VanDerWaalsContact NE2-O 3.14Å; W565-L572 HydrophobicContact CB-CB 4.37Å; W565-L572 HydrophobicContact CD2-CB 3.77Å; W565-L572 HydrophobicContact CD2-CD1 3.76Å; W565-L572 HydrophobicContact CD2-CG 4.4Å; W565-L572 HydrophobicContact CE3-CB 3.56Å; W565-L572 HydrophobicContact CE3-CD1 4.15Å; W565-L572 HydrophobicContact CG-CB 4.14Å; W565-L572 HydrophobicContact CG-CD1 4.18Å; W565-L572 HydrophobicContact CH2-CD1 4.23Å; W565-L572 HydrophobicContact CZ2-CD1 3.84Å; W565-L572 HydrophobicContact CZ3-CB 4.07Å; W565-L572 HydrophobicContact CZ3-CD1 4.36Å; V570-L572 HydrophobicContact CG1-CD1 4.08Å; V570-L572 HydrophobicContact CG1-CG 3.84Å; V570-L572 PolarHBondContact O-N 3.23Å; L572-R651 VanDerWaalsContact CD2-O 3.26Å; L572-R651 WeakPolarHBondContact CD2-O 3.42Å; L572-A654 HydrophobicContact CD2-CB 3.49Å; L572-A654 VanDerWaalsContact CD2-CB 3.49Å; L572-A655 HydrophobicContact CB-CB 4.03Å; L572-A655 HydrophobicContact CD2-CB 4.23Å; L572-L658 HydrophobicContact CD1-CD1 3.78Å; L572-L728 HydrophobicContact CD2-CB 4Å; L572-L728 HydrophobicContact CD2-CD1 4.43Å
573	R	97.7	Very high	97.3	Very high	98 Å²	98	43.4 Å²	43.4	37%	0.37	20%	0.198	S	C	.	.			trans	-132.6	117.9	-174	-168.6	64.1	170.7	-168.9	-4.4	112.3	S11 S652	S11-R573 PolarHBondContact OG-NH2 2.9Å; R573-S652 VanDerWaalsContact O-CA 3.26Å; R573-S652 WeakPolarHBondContact O-CA 3.41Å; R573-S652 VanDerWaalsContact O-CB 3.28Å; R573-S652 WeakPolarHBondContact O-CB 3.44Å
574	L	98	Very high	97.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	20%	0.202	C	C	.	.			trans	-102.5	143.1	166.8	-66.6	166.9	0	0	0	109.6	M558 L561 W565 L576 A655 Y656	M558-L574 HydrophobicContact CB-CD1 4.05Å; M558-L574 HydrophobicContact CE-CB 4.29Å; M558-L574 HydrophobicContact CG-CD1 4.21Å; L561-L574 HydrophobicContact CB-CD1 4.22Å; W565-L574 HydrophobicContact CE3-CD1 4.41Å; W565-L574 HydrophobicContact CH2-CD1 4.1Å; W565-L574 HydrophobicContact CH2-CG 4.49Å; W565-L574 HydrophobicContact CZ3-CD1 3.5Å; W565-L574 HydrophobicContact CZ3-CD2 4.42Å; W565-L574 HydrophobicContact CZ3-CG 3.73Å; L574-L576 HydrophobicContact CB-CD2 4.2Å; L574-L576 PolarHBondContact O-N 2.98Å; L574-A655 HydrophobicContact CD2-CB 3.83Å; L574-A655 HydrophobicContact CG-CB 4.08Å; L574-Y656 HydrophobicContact CD2-CD1 3.69Å; L574-Y656 HydrophobicContact CD2-CD2 4Å; L574-Y656 HydrophobicContact CD2-CE1 3.59Å; L574-Y656 HydrophobicContact CD2-CE2 3.85Å; L574-Y656 HydrophobicContact CD2-CG 3.91Å
575	R	97.7	Very high	97	Very high	103 Å²	103	48 Å²	48	39%	0.389	22%	0.219	S	C	.	.			trans	-83	107.8	163.6	-179.4	71.8	-174.9	-172.9	1.5	108.6	M558 V592 Y656 I682	M558-R575 WeakPolarHBondContact CE-O 3.27Å; R575-V592 HydrophobicContact CG-CG1 4.44Å; R575-V592 HydrophobicContact CG-CG2 4.19Å; R575-Y656 PolarHBondContact N-OH 3.5Å; R575-Y656 PolarHBondContact O-OH 3.38Å; R575-I682 HydrophobicContact CB-CB 4.36Å; R575-I682 HydrophobicContact CB-CD1 3.8Å; R575-I682 HydrophobicContact CB-CG1 3.74Å; R575-I682 HydrophobicContact CB-CG2 3.77Å; R575-I682 HydrophobicContact CG-CD1 3.93Å; R575-I682 HydrophobicContact CG-CG1 4.39Å; R575-I682 HydrophobicContact CG-CG2 4.16Å
576	L	96.9	Very high	96.9	Very high	39 Å²	39	48.1 Å²	48.1	20%	0.204	22%	0.219	C	C	.	.			trans	-80.8	121.3	173.3	-52.4	-179.5	0	0	0	108.8	M558 Q562 L574	M558-L576 HydrophobicContact CB-CD2 3.65Å; M558-L576 HydrophobicContact CE-CD2 4.16Å; Q562-L576 HydrophobicContact CB-CD1 4.33Å; Q562-L576 HydrophobicContact CB-CD2 4.38Å; Q562-L576 HydrophobicContact CG-CD1 4.38Å; L574-L576 HydrophobicContact CB-CD2 4.2Å; L574-L576 PolarHBondContact O-N 2.98Å
577	Y	96.1	Very high	96.8	Very high	9 Å²	9	45 Å²	45	4%	0.035	20%	0.203	C	C	.	.			trans	-123.9	127.9	174.7	57.8	-98	0	0	0	109.3	E551 Y555 M558 I589 E590 V592 I684 F686	E551-Y577 WeakPolarHBondContact OE1-CE2 3.41Å; E551-Y577 PolarHBondContact OE1-OH 2.84Å; Y555-Y577 WeakPolarHBondContact CD2-O 3.48Å; Y555-Y577 WeakPolarHBondContact CE2-O 3.16Å; M558-Y577 HydrophobicContact CE-CE1 4.49Å; Y577-I589 HydrophobicContact CD2-CG2 3.74Å; Y577-I589 HydrophobicContact CE2-CG2 4.04Å; Y577-E590 WeakPolarHBondContact CB-O 3.49Å; Y577-V592 HydrophobicContact CD1-CG2 4.34Å; Y577-I684 HydrophobicContact CE1-CG2 4.18Å; Y577-F686 HydrophobicContact CE1-CE2 4.22Å; Y577-F686 AromaticContact CZ-CE2 3.95Å; Y577-F686 WeakPolarHBondContact OH-CD2 3.45Å; Y577-F686 WeakPolarHBondContact OH-CE2 3.2Å
578	K	96.3	Very high	96.9	Very high	39 Å²	39	40.4 Å²	40.4	17%	0.17	18%	0.179	C	C	.	.			trans	-66.1	146.3	-172.7	-68.1	174	-177.3	174.5	0	111.6	I390 E393 Y555 I589 E590	I390-K578 HydrophobicContact CD1-CB 4Å; I390-K578 HydrophobicContact CG1-CB 3.57Å; I390-K578 HydrophobicContact CG1-CD 4.45Å; I390-K578 WeakPolarHBondContact O-CD 3.46Å; E393-K578 WeakPolarHBondContact OE1-CE 3.41Å; E393-K578 IonicContact OE1-NZ 3.29Å; E393-K578 PolarHBondContact OE1-NZ 3.43Å; Y555-K578 HydrophobicContact CE2-CG 4.28Å; K578-I589 WeakPolarHBondContact O-CA 3.3Å; K578-E590 HydrophobicContact CB-CB 4.15Å; K578-E590 PolarHBondContact N-OE2 3.02Å; K578-E590 PolarHBondContact O-N 2.9Å
579	T	97.1	Very high	96.9	Very high	13 Å²	13	37.8 Å²	37.8	8%	0.08	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.3	174.7	-63.7	0	0	0	0	109.4	L548 E551 L552 I589	L548-T579 HydrophobicContact CB-CG2 4.09Å; L548-T579 HydrophobicContact CD1-CG2 4.33Å; E551-T579 HydrophobicContact CB-CG2 4.04Å; E551-T579 HydrophobicContact CG-CG2 3.94Å; L552-T579 HydrophobicContact CB-CG2 4.18Å; T579-I589 HydrophobicContact CG2-CG1 4.41Å
580	L	97.4	Very high	96.8	Very high	15 Å²	15	28.6 Å²	28.6	8%	0.079	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.4	177	178.6	73.4	0	0	0	109.7	K207 W210 P389 I582 G587 M588	K207-L580 HydrophobicContact CG-CD1 4.23Å; W210-L580 HydrophobicContact CE3-CD1 4.41Å; W210-L580 HydrophobicContact CZ3-CD1 4.39Å; W210-L580 HydrophobicContact CZ3-CD2 4.19Å; P389-L580 HydrophobicContact CB-CD2 3.81Å; P389-L580 HydrophobicContact CG-CD2 4.28Å; L580-I582 HydrophobicContact CD2-CG1 4.26Å; L580-I582 HydrophobicContact CG-CG1 4.41Å; L580-G587 CarbonylContact O-C 3.55Å; L580-G587 WeakPolarHBondContact O-CA 3.27Å; L580-M588 HydrophobicContact CB-CB 4.28Å; L580-M588 HydrophobicContact CD2-CB 4.48Å; L580-M588 HydrophobicContact CD2-SD 4.12Å; L580-M588 PolarHBondContact N-O 3.4Å; L580-M588 PolarHBondContact O-N 3.36Å
581	V	97.9	Very high	96.6	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.03	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124	173.9	176.9	0	0	0	0	109.2	L211 A214 L548 R549 L552 S583	L211-V581 HydrophobicContact CD2-CB 4.35Å; A214-V581 HydrophobicContact CB-CG1 3.44Å; A214-V581 VanDerWaalsContact CB-CG1 3.44Å; L548-V581 HydrophobicContact CB-CG2 4.18Å; R549-V581 HydrophobicContact CG-CG1 3.95Å; R549-V581 HydrophobicContact CG-CG2 4.24Å; L552-V581 HydrophobicContact CB-CG2 3.91Å; L552-V581 HydrophobicContact CD2-CB 4.4Å; L552-V581 HydrophobicContact CD2-CG2 3.65Å; L552-V581 HydrophobicContact CG-CG2 4.39Å; V581-S583 WeakPolarHBondContact CG1-O 3.29Å
582	I	96.5	Very high	96.3	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.077	13%	0.125	C	C	.	.			trans	-103.6	-43.3	178.4	-64.3	165.3	0	0	0	110.4	W210 V348 T352 L580 A586 M588	W210-I582 WeakPolarHBondContact CB-O 3.45Å; W210-I582 HydrophobicContact CG-CG2 4.45Å; V348-I582 HydrophobicContact CG1-CD1 3.52Å; V348-I582 HydrophobicContact CG1-CG1 4.04Å; V348-I582 HydrophobicContact CG1-CG2 4.08Å; T352-I582 HydrophobicContact CG2-CD1 3.91Å; T352-I582 HydrophobicContact CG2-CG2 4.33Å; L580-I582 HydrophobicContact CD2-CG1 4.26Å; L580-I582 HydrophobicContact CG-CG1 4.41Å; I582-A586 PolarHBondContact N-O 2.96Å; I582-M588 HydrophobicContact CD1-CE 3.89Å; I582-M588 HydrophobicContact CD1-CG 3.93Å; I582-M588 HydrophobicContact CD1-SD 4.23Å
583	S	94.9	Very high	96	Very high	19 Å²	19	29 Å²	29	13%	0.133	14%	0.135	C	C	.	.	S	Bend	trans	-143.1	-172	175.7	71.2	0	0	0	0	110.3	V581 D585 A586	V581-S583 WeakPolarHBondContact CG1-O 3.29Å; S583-D585 PolarHBondContact O-N 3.31Å; S583-D585 PolarHBondContact OG-N 2.67Å; S583-D585 PolarHBondContact OG-OD1 3.22Å; S583-A586 PolarHBondContact N-O 2.69Å; S583-A586 WeakPolarHBondContact OG-CB 3.36Å; S583-A586 PolarHBondContact OG-N 2.93Å
584	R	93.8	Very high	95.6	Very high	73 Å²	73	26.9 Å²	26.9	28%	0.275	13%	0.131	S	C	.	.	S	Bend	trans	-66.3	-17.5	173.7	-69.3	177.6	164.3	-136.8	-14.8	114.2	A214 S219 D547	A214-R584 WeakPolarHBondContact O-CG 3.46Å; S219-R584 PolarHBondContact OG-NH1 3.45Å; S219-R584 PolarHBondContact OG-NH2 2.74Å; S219-R584 VanDerWaalsContact OG-NH2 3.09Å; D547-R584 WeakPolarHBondContact CA-O 3.43Å; D547-R584 VanDerWaalsContact CB-O 3.28Å; D547-R584 WeakPolarHBondContact CB-O 3.36Å
585	D	94	Very high	95.3	Very high	66 Å²	66	27 Å²	27	35%	0.353	13%	0.133	S	C	.	.	S	Bend	trans	-140.7	14.2	-170.2	66.8	-27	0	0	0	112.6	Y356 T544 G545 D546 S583	Y356-D585 PolarHBondContact OH-OD1 3.14Å; Y356-D585 VanDerWaalsContact OH-OD1 3.09Å; Y356-D585 PolarHBondContact OH-OD2 2.97Å; Y356-D585 VanDerWaalsContact OH-OD2 3.1Å; T544-D585 CarbonylContact C-O 3.07Å; G545-D585 CarbonylContact C-O 3.54Å; G545-D585 WeakPolarHBondContact CA-O 3.45Å; G545-D585 PolarHBondContact N-O 3.44Å; D546-D585 PolarHBondContact N-O 3.35Å; D546-D585 CarbonylContact O-C 3.54Å; D546-D585 VanDerWaalsContact O-CA 3.3Å; D546-D585 WeakPolarHBondContact O-CA 3.39Å; S583-D585 PolarHBondContact O-N 3.31Å; S583-D585 PolarHBondContact OG-N 2.67Å; S583-D585 PolarHBondContact OG-OD1 3.22Å
586	A	95.7	Very high	94.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.3	175.1	0	0	0	0	0	111.8	T352 K543 T544 D546 I582 S583	T352-A586 HydrophobicContact CG2-CB 3.97Å; K543-A586 WeakPolarHBondContact O-CA 3.44Å; T544-A586 HydrophobicContact CG2-CB 4.29Å; D546-A586 PolarHBondContact O-N 2.87Å; I582-A586 PolarHBondContact N-O 2.96Å; S583-A586 PolarHBondContact N-O 2.69Å; S583-A586 WeakPolarHBondContact OG-CB 3.36Å; S583-A586 PolarHBondContact OG-N 2.93Å
587	G	97.4	Very high	94.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	-172	175.2	0	0	0	0	0	112.6	K543 L580	K543-G587 PolarHBondContact N-O 2.92Å; K543-G587 PolarHBondContact O-N 2.94Å; L580-G587 CarbonylContact O-C 3.55Å; L580-G587 WeakPolarHBondContact O-CA 3.27Å
588	M	97.9	Very high	94.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.2	179.9	-62.8	172.8	178.1	0	0	110.1	V348 L351 I390 V540 M541 V542 L580 I582	V348-M588 HydrophobicContact CG1-CE 4.17Å; L351-M588 HydrophobicContact CB-CE 4.3Å; L351-M588 HydrophobicContact CD1-CE 3.59Å; I390-M588 HydrophobicContact CD1-CB 4.42Å; V540-M588 HydrophobicContact CG2-CB 3.91Å; V540-M588 HydrophobicContact CG2-CG 4.12Å; V540-M588 HydrophobicContact CG2-SD 4.11Å; M541-M588 CarbonylContact O-C 3.52Å; M541-M588 VanDerWaalsContact O-CA 3.27Å; M541-M588 WeakPolarHBondContact O-CA 3.31Å; V542-M588 HydrophobicContact CG2-CE 4.46Å; V542-M588 HydrophobicContact CG2-CG 4.37Å; L580-M588 HydrophobicContact CB-CB 4.28Å; L580-M588 HydrophobicContact CD2-CB 4.48Å; L580-M588 HydrophobicContact CD2-SD 4.12Å; L580-M588 PolarHBondContact N-O 3.4Å; L580-M588 PolarHBondContact O-N 3.36Å; I582-M588 HydrophobicContact CD1-CE 3.89Å; I582-M588 HydrophobicContact CD1-CG 3.93Å; I582-M588 HydrophobicContact CD1-SD 4.23Å
589	I	97	Very high	93.6	Very high	5 Å²	5	20 Å²	20	3%	0.026	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.6	176.1	-64.6	179	0	0	0	107.9	M541 K543 L548 E551 Y577 K578 T579 P591	M541-I589 HydrophobicContact CB-CB 4.46Å; M541-I589 WeakPolarHBondContact CB-O 3.49Å; M541-I589 HydrophobicContact CE-CB 3.67Å; M541-I589 HydrophobicContact CE-CD1 4.13Å; M541-I589 HydrophobicContact CE-CG1 4.44Å; M541-I589 HydrophobicContact CE-CG2 3.6Å; M541-I589 PolarHBondContact N-O 2.9Å; M541-I589 PolarHBondContact O-N 3.25Å; K543-I589 HydrophobicContact CD-CD1 3.83Å; K543-I589 HydrophobicContact CG-CD1 4.43Å; L548-I589 HydrophobicContact CD1-CD1 4.14Å; L548-I589 HydrophobicContact CD1-CG1 3.85Å; L548-I589 HydrophobicContact CD2-CD1 4.23Å; E551-I589 HydrophobicContact CG-CD1 4.1Å; Y577-I589 HydrophobicContact CD2-CG2 3.74Å; Y577-I589 HydrophobicContact CE2-CG2 4.04Å; K578-I589 WeakPolarHBondContact O-CA 3.3Å; T579-I589 HydrophobicContact CG2-CG1 4.41Å; I589-P591 WeakPolarHBondContact O-CD 3.43Å
590	E	95.8	Very high	92.9	Very high	35 Å²	35	20.7 Å²	20.7	16%	0.164	11%	0.108	C	C	.	.			trans	-73.2	117.1	169.7	175.3	169.8	-145.1	0	0	108.5	I390 Y391 Y577 K578	I390-E590 HydrophobicContact CD1-CB 3.86Å; Y391-E590 WeakPolarHBondContact CE1-OE1 3.37Å; Y391-E590 PolarHBondContact OH-OE1 3.04Å; Y577-E590 WeakPolarHBondContact CB-O 3.49Å; K578-E590 HydrophobicContact CB-CB 4.15Å; K578-E590 PolarHBondContact N-OE2 3.02Å; K578-E590 PolarHBondContact O-N 2.9Å
591	P	93.8	Very high	92.1	Very high	15 Å²	15	20 Å²	20	10%	0.097	10%	0.104	C	C	.	.			trans	-73	145.5	-179.2	31.9	-35.8	0	0	0	110.6	L418 P539 I589 V593	L418-P591 HydrophobicContact CD1-CB 3.85Å; L418-P591 HydrophobicContact CD1-CG 3.55Å; P539-P591 HydrophobicContact CB-CG 3.57Å; P539-P591 HydrophobicContact CG-CG 3.96Å; P539-P591 WeakPolarHBondContact O-CD 3.38Å; I589-P591 WeakPolarHBondContact O-CD 3.43Å; P591-V593 PolarHBondContact O-N 3.14Å
592	V	93.1	Very high	90.8	Very high	15 Å²	15	21.6 Å²	21.6	9%	0.091	12%	0.115	C	C	.	.			trans	-77.7	116	170.4	-176.1	0	0	0	0	108	R575 Y577 A595 L674 I682	R575-V592 HydrophobicContact CG-CG1 4.44Å; R575-V592 HydrophobicContact CG-CG2 4.19Å; Y577-V592 HydrophobicContact CD1-CG2 4.34Å; V592-A595 HydrophobicContact CB-CB 4.45Å; V592-A595 HydrophobicContact CG1-CB 3.68Å; V592-L674 HydrophobicContact CB-CD1 4.06Å; V592-L674 HydrophobicContact CG1-CD1 4.5Å; V592-L674 HydrophobicContact CG2-CD1 4.35Å; V592-I682 HydrophobicContact CG1-CD1 3.66Å; V592-I682 HydrophobicContact CG2-CG2 4.11Å
593	V	91.1	Very high	89.5	Confident	39 Å²	39	23.9 Å²	23.9	24%	0.236	12%	0.124	C	C	.	.	S	Bend	trans	-85.6	157.1	176.1	-60.6	0	0	0	0	110.7	W516 P539 P591 A595	W516-V593 HydrophobicContact CB-CB 4.25Å; W516-V593 HydrophobicContact CB-CG2 4.31Å; W516-V593 HydrophobicContact CD2-CB 4.39Å; W516-V593 HydrophobicContact CD2-CG1 4.09Å; W516-V593 HydrophobicContact CE3-CB 4.23Å; W516-V593 HydrophobicContact CE3-CG1 3.63Å; W516-V593 HydrophobicContact CG-CB 4.41Å; W516-V593 HydrophobicContact CG-CG2 4.3Å; W516-V593 HydrophobicContact CZ3-CG1 4.06Å; P539-V593 HydrophobicContact CG-CG1 4.08Å; P591-V593 PolarHBondContact O-N 3.14Å; V593-A595 VanDerWaalsContact C-N 3.26Å; V593-A595 PolarHBondContact O-N 3.35Å
594	N	90	Very high	87.9	Confident	54 Å²	54	23.4 Å²	23.4	29%	0.289	12%	0.121	S	C	.	.	S	Bend	trans	56.9	36.4	-179.3	-53.1	-29.1	0	0	0	113.7	W516 D676 A677	W516-N594 VanDerWaalsContact CB-OD1 3.26Å; W516-N594 WeakPolarHBondContact CB-OD1 3.18Å; W516-N594 PolarHBondContact N-OD1 2.8Å; N594-D676 WeakPolarHBondContact O-CA 3.24Å; N594-A677 HydrophobicContact CB-CB 4.26Å; N594-A677 PolarHBondContact O-N 3.09Å
595	A	90.4	Very high	86.4	Confident	6 Å²	6	20.6 Å²	20.6	5%	0.05	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.5	179.7	0	0	0	0	0	111.1	V592 V593 L674 L675 D676	V592-A595 HydrophobicContact CB-CB 4.45Å; V592-A595 HydrophobicContact CG1-CB 3.68Å; V593-A595 VanDerWaalsContact C-N 3.26Å; V593-A595 PolarHBondContact O-N 3.35Å; A595-L674 HydrophobicContact CB-CB 4.13Å; A595-L674 HydrophobicContact CB-CD1 4.25Å; A595-L675 VanDerWaalsContact CA-O 3.26Å; A595-L675 WeakPolarHBondContact CA-O 3.5Å; A595-D676 HydrophobicContact CB-CB 4.17Å
596	V	88.5	Confident	84.6	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.8	177	-65.1	0	0	0	0	109.5	F500 V601 L674 L675	F500-V596 HydrophobicContact CD1-CB 4.44Å; F500-V596 HydrophobicContact CD1-CG1 3.67Å; F500-V596 HydrophobicContact CD1-CG2 3.89Å; F500-V596 HydrophobicContact CD2-CG1 4.27Å; F500-V596 HydrophobicContact CE1-CB 4.28Å; F500-V596 HydrophobicContact CE1-CG1 3.88Å; F500-V596 HydrophobicContact CE1-CG2 3.37Å; F500-V596 HydrophobicContact CE2-CG1 4.44Å; F500-V596 HydrophobicContact CG-CG1 3.9Å; F500-V596 HydrophobicContact CZ-CG1 4.26Å; F500-V596 HydrophobicContact CZ-CG2 3.93Å; V596-V601 HydrophobicContact CG2-CG2 3.68Å; V596-L674 CarbonylContact O-C 3.6Å; V596-L674 WeakPolarHBondContact O-CA 3.21Å; V596-L675 PolarHBondContact N-O 3.22Å; V596-L675 PolarHBondContact O-N 3.48Å
597	S	89.9	Confident	82.6	Confident	8 Å²	8	26.1 Å²	26.1	6%	0.056	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	148.1	174.1	62.6	0	0	0	0	111	H599 Q600 V601 I673	S597-H599 PolarHBondContact O-N 2.96Å; S597-H599 VanDerWaalsContact O-N 3.13Å; S597-Q600 WeakPolarHBondContact O-CA 3.41Å; S597-Q600 WeakPolarHBondContact O-CB 3.11Å; S597-Q600 PolarHBondContact O-N 3.26Å; S597-Q600 VanDerWaalsContact OG-CG 3.27Å; S597-Q600 WeakPolarHBondContact OG-CG 3.32Å; S597-Q600 PolarHBondContact OG-N 2.9Å; S597-Q600 PolarHBondContact OG-OE1 3.47Å; S597-V601 PolarHBondContact O-N 3.2Å; S597-I673 CarbonylContact C-O 3.43Å; S597-I673 WeakPolarHBondContact CA-O 3.26Å
598	L	89.7	Confident	80.5	Confident	9 Å²	9	28.3 Å²	28.3	5%	0.047	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30	173.6	-68.3	-173.4	0	0	0	111.5	Q600 V601 P602 V626 N670 I673 L675	L598-Q600 VanDerWaalsContact C-N 3.27Å; L598-Q600 PolarHBondContact O-N 2.8Å; L598-V601 HydrophobicContact CD2-CG2 4.48Å; L598-V601 PolarHBondContact O-N 3.47Å; L598-P602 WeakPolarHBondContact O-CD 3.43Å; L598-V626 HydrophobicContact CD2-CG1 4.44Å; L598-V626 HydrophobicContact CD2-CG2 3.9Å; L598-N670 HydrophobicContact CB-CB 4.07Å; L598-N670 PolarHBondContact N-O 3.36Å; L598-N670 VanDerWaalsContact N-O 3.17Å; L598-I673 HydrophobicContact CD1-CB 3.92Å; L598-I673 HydrophobicContact CD1-CG2 3.55Å; L598-I673 HydrophobicContact CG-CB 4.16Å; L598-I673 HydrophobicContact CG-CG2 3.92Å; L598-I673 PolarHBondContact N-O 3Å; L598-L675 HydrophobicContact CD2-CB 3.94Å
599	H	84.2	Confident	78.6	Confident	23 Å²	23	33.9 Å²	33.9	11%	0.106	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.7	171.8	175.1	62.1	0	0	0	113.6	S597 K603 N670 G811 I812 L813	S597-H599 PolarHBondContact O-N 2.96Å; S597-H599 VanDerWaalsContact O-N 3.13Å; H599-K603 PolarHBondContact NE2-NZ 3.37Å; H599-N670 HydrophobicContact CB-CB 4.14Å; H599-N670 PolarHBondContact N-O 3.38Å; H599-G811 PolarHBondContact CE1-O 3.4Å; H599-G811 VanDerWaalsContact CE1-O 3.23Å; H599-I812 HydrophobicContact CB-CG2 3.92Å; H599-L813 PolarHBondContact CE1-N 3.4Å; H599-L813 PolarHBondContact ND1-N 2.99Å; H599-L813 PolarHBondContact ND1-O 3Å
600	Q	82.1	Confident	76.4	Confident	29 Å²	29	39.1 Å²	39.1	14%	0.136	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-24.2	-177.9	-73.5	159	-18.6	0	0	112.7	A509 S597 L598 K603 T604	A509-Q600 HydrophobicContact CB-CG 4.18Å; S597-Q600 WeakPolarHBondContact O-CA 3.41Å; S597-Q600 WeakPolarHBondContact O-CB 3.11Å; S597-Q600 PolarHBondContact O-N 3.26Å; S597-Q600 VanDerWaalsContact OG-CG 3.27Å; S597-Q600 WeakPolarHBondContact OG-CG 3.32Å; S597-Q600 PolarHBondContact OG-N 2.9Å; S597-Q600 PolarHBondContact OG-OE1 3.47Å; L598-Q600 VanDerWaalsContact C-N 3.27Å; L598-Q600 PolarHBondContact O-N 2.8Å; Q600-K603 WeakPolarHBondContact O-CB 3.47Å; Q600-K603 PolarHBondContact O-N 2.89Å; Q600-T604 PolarHBondContact O-N 2.98Å; Q600-T604 VanDerWaalsContact O-N 3.08Å; Q600-T604 PolarHBondContact O-OG1 3.4Å
601	V	81.2	Confident	74.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-53.1	-51.1	-176.9	169.5	0	0	0	0	113	V596 S597 L598 K603 T604 I605 H629 L675	V596-V601 HydrophobicContact CG2-CG2 3.68Å; S597-V601 PolarHBondContact O-N 3.2Å; L598-V601 HydrophobicContact CD2-CG2 4.48Å; L598-V601 PolarHBondContact O-N 3.47Å; V601-K603 VanDerWaalsContact C-N 3.26Å; V601-K603 PolarHBondContact O-N 2.93Å; V601-T604 PolarHBondContact O-N 2.46Å; V601-I605 HydrophobicContact CG1-CD1 4.3Å; V601-I605 PolarHBondContact O-N 2.9Å; V601-H629 HydrophobicContact CG1-CB 3.49Å; V601-H629 VanDerWaalsContact CG1-CB 3.49Å; V601-L675 HydrophobicContact CG2-CD2 4.22Å
602	P	70.6	Confident	72.4	Confident	38 Å²	38	48.1 Å²	48.1	25%	0.247	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-36.7	178	-26.1	35.5	0	0	0	113.3	L598 T604 I605 E606 C624	L598-P602 WeakPolarHBondContact O-CD 3.43Å; P602-T604 VanDerWaalsContact C-N 3.33Å; P602-T604 PolarHBondContact O-N 3.35Å; P602-I605 PolarHBondContact O-N 2.84Å; P602-E606 PolarHBondContact O-N 3.2Å; P602-C624 HydrophobicContact CB-CB 4.28Å; P602-C624 WeakPolarHBondContact CB-O 3.38Å; P602-C624 WeakPolarHBondContact CG-O 3.42Å
603	K	67.8	Low	70.5	Confident	63 Å²	63	57.7 Å²	57.7	27%	0.274	29%	0.287	S	S	.	.	H	α-helix	trans	-70.3	-30.2	-179.1	-61.7	179.8	176.7	178.2	0	112.3	E505 H599 Q600 V601	E505-K603 IonicContact OE2-NZ 3.84Å; H599-K603 PolarHBondContact NE2-NZ 3.37Å; Q600-K603 WeakPolarHBondContact O-CB 3.47Å; Q600-K603 PolarHBondContact O-N 2.89Å; V601-K603 VanDerWaalsContact C-N 3.26Å; V601-K603 PolarHBondContact O-N 2.93Å
604	T	62.1	Low	68.9	Low	10 Å²	10	59.5 Å²	59.5	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-70.4	-35.7	176.7	-54.4	0	0	0	0	111.7	F500 Q600 V601 P602 V607	F500-T604 HydrophobicContact CB-CG2 4.39Å; F500-T604 HydrophobicContact CD1-CG2 4.33Å; Q600-T604 PolarHBondContact O-N 2.98Å; Q600-T604 VanDerWaalsContact O-N 3.08Å; Q600-T604 PolarHBondContact O-OG1 3.4Å; V601-T604 PolarHBondContact O-N 2.46Å; P602-T604 VanDerWaalsContact C-N 3.33Å; P602-T604 PolarHBondContact O-N 3.35Å; T604-V607 PolarHBondContact O-N 2.94Å
605	I	62.3	Low	67	Low	13 Å²	13	62 Å²	62	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-73.3	-32.9	-177.2	-62.5	163.6	0	0	0	112.4	V601 P602 V607 M608 I612 C624 D628 H629	V601-I605 HydrophobicContact CG1-CD1 4.3Å; V601-I605 PolarHBondContact O-N 2.9Å; P602-I605 PolarHBondContact O-N 2.84Å; I605-V607 PolarHBondContact O-N 3.42Å; I605-M608 PolarHBondContact O-N 3.12Å; I605-I612 HydrophobicContact CG2-CD1 4.09Å; I605-C624 HydrophobicContact CB-CB 3.97Å; I605-C624 HydrophobicContact CD1-CB 3.85Å; I605-C624 HydrophobicContact CG2-CB 4.04Å; I605-C624 VanDerWaalsContact CG2-SG 3.58Å; I605-D628 HydrophobicContact CD1-CB 4.45Å; I605-H629 HydrophobicContact CD1-CB 3.72Å
606	E	56.2	Low	65.4	Low	102 Å²	102	67 Å²	67	48%	0.477	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.1	177.9	-73.7	-172.3	159.5	0	0	112.8	P602	P602-E606 PolarHBondContact O-N 3.2Å
607	V	53.7	Low	63.9	Low	81 Å²	81	68.5 Å²	68.5	49%	0.491	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-21.5	-179.8	-160.9	0	0	0	0	112.7	T604 I605	T604-V607 PolarHBondContact O-N 2.94Å; I605-V607 PolarHBondContact O-N 3.42Å
608	M	53.6	Low	62.1	Low	47 Å²	47	73.9 Å²	73.9	23%	0.232	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-41.4	-156.2	-76.2	-160.9	74.1	0	0	118.6	Q501 I605	Q501-M608 HydrophobicContact CB-CG 4.36Å; Q501-M608 HydrophobicContact CB-SD 4.27Å; Q501-M608 HydrophobicContact CG-CE 4.29Å; Q501-M608 HydrophobicContact CG-SD 4.2Å; I605-M608 PolarHBondContact O-N 3.12Å
609	D	56.5	Low	60.5	Low	117 Å²	117	78.7 Å²	78.7	63%	0.626	42%	0.417	S	S	*	.			trans	-179.3	167.4	170	-115.7	-37	0	0	0	118.2	Y611	D609-Y611 HydrophobicContact CB-CD2 4.24Å; D609-Y611 PolarHBondContact O-N 3.39Å
610	V	51.9	Low	59.1	Low	114 Å²	114	80 Å²	80	69%	0.691	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.3	-167.7	173	0	0	0	0	117
611	Y	51.7	Low	57.8	Low	198 Å²	198	83.8 Å²	83.8	78%	0.776	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-12.1	-161.5	-67	-81.7	0	0	0	118	D609 K613	D609-Y611 HydrophobicContact CB-CD2 4.24Å; D609-Y611 PolarHBondContact O-N 3.39Å; Y611-K613 PolarHBondContact O-N 2.89Å
612	I	54	Low	56.7	Low	41 Å²	41	87.2 Å²	87.2	21%	0.21	47%	0.467	C	S	.	.			trans	-86.2	106.4	178.2	-61.7	156.6	0	0	0	109.7	I605 R614 D628	I605-I612 HydrophobicContact CG2-CD1 4.09Å; I612-R614 HydrophobicContact CG2-CB 4.1Å; I612-R614 HydrophobicContact CG2-CG 3.78Å; I612-R614 PolarHBondContact O-N 2.81Å; I612-D628 HydrophobicContact CD1-CB 3.86Å
613	K	53.2	Low	56.3	Low	216 Å²	216	90.1 Å²	90.1	94%	0.939	48%	0.481	S	S	*	.			trans	-77.7	59.8	173.7	-70.9	-176	179.7	176.9	0	111.7	Y611	Y611-K613 PolarHBondContact O-N 2.89Å
614	R	58.2	Low	56.5	Low	77 Å²	77	87.6 Å²	87.6	29%	0.291	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-97.9	141.3	167.5	-75.9	-179.9	178.8	-150	-7.9	110.1	I612 N623 T625 D628 E712	I612-R614 HydrophobicContact CG2-CB 4.1Å; I612-R614 HydrophobicContact CG2-CG 3.78Å; I612-R614 PolarHBondContact O-N 2.81Å; R614-N623 WeakPolarHBondContact CD-O 3.13Å; R614-T625 PolarHBondContact NH1-OG1 2.71Å; R614-D628 VanDerWaalsContact CD-OD2 3.32Å; R614-D628 WeakPolarHBondContact CD-OD2 3.39Å; R614-D628 VanDerWaalsContact CZ-CG 3.47Å; R614-D628 IonicContact CZ-OD1 2.93Å; R614-D628 IonicContact CZ-OD2 3.21Å; R614-D628 IonicContact NE-OD1 2.95Å; R614-D628 PolarHBondContact NE-OD1 3.5Å; R614-D628 IonicContact NE-OD2 3.83Å; R614-D628 PolarHBondContact NE-OD2 3.08Å; R614-D628 VanDerWaalsContact NE-OD2 3.15Å; R614-D628 IonicContact NH1-OD1 2.67Å; R614-D628 IonicContact NH1-OD2 3.22Å; R614-D628 PolarHBondContact NH1-OD2 3.33Å; R614-D628 IonicContact NH2-OD1 2.69Å; R614-D628 IonicContact NH2-OD2 3.56Å; R614-E712 IonicContact CZ-OE1 3.15Å; R614-E712 IonicContact NH2-OE1 3.03Å; R614-E712 PolarHBondContact NH2-OE1 3.49Å
615	S	48.1	Very low	57.6	Low	106 Å²	106	88 Å²	88	74%	0.741	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-55.9	138	176.8	-45.4	0	0	0	0	110.1
616	L	57.1	Low	58.8	Low	112 Å²	112	87.5 Å²	87.5	59%	0.586	47%	0.471	S	S	*	.	B	Isolated β-bridge	trans	-64.8	140.5	169.7	-63.1	168.8	0	0	0	109.1	K621 K622	L616-K621 CarbonylContact C-O 3.52Å; L616-K621 WeakPolarHBondContact CA-O 3.43Å; L616-K622 HydrophobicContact CD2-CG 3.77Å
617	T	57.3	Low	60.5	Low	35 Å²	35	83.2 Å²	83.2	22%	0.215	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-67	166.8	167.2	41.9	0	0	0	0	110.9	D619 G620 K621 N623	T617-D619 WeakPolarHBondContact CB-OD1 3.34Å; T617-D619 PolarHBondContact O-N 3.33Å; T617-D619 VanDerWaalsContact O-N 3.08Å; T617-D619 PolarHBondContact OG1-OD1 3.47Å; T617-G620 PolarHBondContact O-N 3.39Å; T617-K621 PolarHBondContact N-O 3.21Å; T617-K621 PolarHBondContact OG1-N 2.95Å; T617-K621 PolarHBondContact OG1-O 2.74Å; T617-N623 HydrophobicContact CG2-CB 4.3Å; T617-N623 WeakPolarHBondContact CG2-ND2 3.33Å; T617-N623 WeakPolarHBondContact CG2-OD1 3.43Å
618	A	53.4	Low	62.1	Low	121 Å²	121	79.6 Å²	79.6	100%	1	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	-178.6	0	0	0	0	0	113.9
619	D	55.3	Low	63.7	Low	109 Å²	109	77.6 Å²	77.6	58%	0.583	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	7.6	174.4	65.5	-22.2	0	0	0	113.6	T617 K621	T617-D619 WeakPolarHBondContact CB-OD1 3.34Å; T617-D619 PolarHBondContact O-N 3.33Å; T617-D619 VanDerWaalsContact O-N 3.08Å; T617-D619 PolarHBondContact OG1-OD1 3.47Å; D619-K621 VanDerWaalsContact C-N 3.32Å; D619-K621 PolarHBondContact O-N 2.93Å; D619-K621 WeakPolarHBondContact OD2-CD 3.46Å
620	G	54.5	Low	65.4	Low	50 Å²	50	72 Å²	72	52%	0.515	39%	0.389	S	S	.	.	S	Bend	trans	77.5	11.1	177.3	0	0	0	0	0	114.8	T617	T617-G620 PolarHBondContact O-N 3.39Å
621	K	55.3	Low	67.2	Low	109 Å²	109	69 Å²	69	47%	0.474	37%	0.369	S	S	.	.			trans	-88.9	152.9	176.2	-66.2	-173.2	-179.3	-178.8	0	111.6	L616 T617 D619	L616-K621 CarbonylContact C-O 3.52Å; L616-K621 WeakPolarHBondContact CA-O 3.43Å; T617-K621 PolarHBondContact N-O 3.21Å; T617-K621 PolarHBondContact OG1-N 2.95Å; T617-K621 PolarHBondContact OG1-O 2.74Å; D619-K621 VanDerWaalsContact C-N 3.32Å; D619-K621 PolarHBondContact O-N 2.93Å; D619-K621 WeakPolarHBondContact OD2-CD 3.46Å
622	K	57.2	Low	68.9	Low	72 Å²	72	61.5 Å²	61.5	31%	0.313	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-85.1	122.8	170.9	-77.9	-175.3	179.9	-177.7	0	107.8	L616 C624	L616-K622 HydrophobicContact CD2-CG 3.77Å; K622-C624 PolarHBondContact O-N 3.12Å
623	N	63.8	Low	70.4	Confident	99 Å²	99	61.4 Å²	61.4	53%	0.529	34%	0.344	S	S	.	.			trans	-69.1	82.1	167.6	-87.4	-8.8	0	0	0	109.9	R614 T617	R614-N623 WeakPolarHBondContact CD-O 3.13Å; T617-N623 HydrophobicContact CG2-CB 4.3Å; T617-N623 WeakPolarHBondContact CG2-ND2 3.33Å; T617-N623 WeakPolarHBondContact CG2-OD1 3.43Å
624	C	72.1	Confident	72.2	Confident	10 Å²	10	52.6 Å²	52.6	7%	0.068	31%	0.306	C	S	.	.			trans	-79.7	125.5	172	-57	0	0	0	0	108.5	P602 I605 K622	P602-C624 HydrophobicContact CB-CB 4.28Å; P602-C624 WeakPolarHBondContact CB-O 3.38Å; P602-C624 WeakPolarHBondContact CG-O 3.42Å; I605-C624 HydrophobicContact CB-CB 3.97Å; I605-C624 HydrophobicContact CD1-CB 3.85Å; I605-C624 HydrophobicContact CG2-CB 4.04Å; I605-C624 VanDerWaalsContact CG2-SG 3.58Å; K622-C624 PolarHBondContact O-N 3.12Å
625	T	83.9	Confident	73.8	Confident	20 Å²	20	50.2 Å²	50.2	12%	0.123	31%	0.306	C	S	.	.			trans	-102.7	168.2	178.5	56.4	0	0	0	0	111.9	R614 L627 D628 H629 E709	R614-T625 PolarHBondContact NH1-OG1 2.71Å; T625-L627 PolarHBondContact O-N 3.03Å; T625-D628 PolarHBondContact N-OD2 3.49Å; T625-D628 WeakPolarHBondContact O-CB 3.31Å; T625-D628 PolarHBondContact O-N 2.76Å; T625-D628 VanDerWaalsContact O-N 3.07Å; T625-D628 VanDerWaalsContact OG1-CG 3.28Å; T625-D628 PolarHBondContact OG1-N 2.91Å; T625-D628 PolarHBondContact OG1-OD2 3.18Å; T625-H629 PolarHBondContact O-N 3Å; T625-E709 WeakPolarHBondContact CA-OE1 3.41Å; T625-E709 WeakPolarHBondContact CB-OE1 3.43Å
626	V	88.3	Confident	75.8	Confident	2 Å²	2	53 Å²	53	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-55.9	-37.1	169.2	-175.3	0	0	0	0	111.3	L598 D628 H629 F630 F649 L675 E709 V713	L598-V626 HydrophobicContact CD2-CG1 4.44Å; L598-V626 HydrophobicContact CD2-CG2 3.9Å; V626-D628 PolarHBondContact O-N 3.41Å; V626-H629 VanDerWaalsContact O-CB 3.26Å; V626-H629 WeakPolarHBondContact O-CB 3.3Å; V626-H629 PolarHBondContact O-N 2.7Å; V626-F630 HydrophobicContact CG1-CD2 4.02Å; V626-F630 HydrophobicContact CG1-CE2 3.84Å; V626-F630 VanDerWaalsContact O-CD2 3.27Å; V626-F630 WeakPolarHBondContact O-CD2 3.45Å; V626-F630 PolarHBondContact O-N 2.96Å; V626-F630 VanDerWaalsContact O-N 3.08Å; V626-F649 HydrophobicContact CG1-CE2 4.27Å; V626-L675 HydrophobicContact CG1-CD2 4.33Å; V626-E709 HydrophobicContact CB-CG 4.08Å; V626-E709 HydrophobicContact CG2-CG 3.94Å; V626-E709 WeakPolarHBondContact CG2-OE1 3.47Å; V626-E709 PolarHBondContact N-OE1 3.21Å; V626-V713 HydrophobicContact CB-CG2 3.84Å; V626-V713 HydrophobicContact CG1-CG2 3.59Å
627	L	91.1	Very high	77.3	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-39.8	175.2	176.7	61.5	0	0	0	112.1	T625 H629 F630 L631 F637 F642 E712 V713	T625-L627 PolarHBondContact O-N 3.03Å; L627-H629 VanDerWaalsContact C-N 3.26Å; L627-H629 PolarHBondContact O-N 3.49Å; L627-F630 WeakPolarHBondContact O-CB 3.3Å; L627-F630 PolarHBondContact O-N 2.76Å; L627-F630 VanDerWaalsContact O-N 3.15Å; L627-L631 HydrophobicContact CD1-CG 4.39Å; L627-L631 HydrophobicContact CG-CD1 4.31Å; L627-L631 WeakPolarHBondContact O-CG 3.18Å; L627-L631 PolarHBondContact O-N 2.95Å; L627-F637 HydrophobicContact CD1-CE1 3.89Å; L627-F637 HydrophobicContact CD1-CZ 4.49Å; L627-F637 HydrophobicContact CD2-CE1 4.13Å; L627-F637 HydrophobicContact CD2-CZ 4.2Å; L627-F642 HydrophobicContact CD1-CE2 4.06Å; L627-F642 HydrophobicContact CD1-CZ 3.88Å; L627-E712 HydrophobicContact CB-CG 4.37Å; L627-E712 HydrophobicContact CD2-CG 3.73Å; L627-V713 HydrophobicContact CB-CG2 4.23Å
628	D	87.8	Confident	78.8	Confident	5 Å²	5	58.1 Å²	58.1	3%	0.027	33%	0.329	C	S	.	.	H	α-helix	trans	-62.5	-36	176	-62.4	-52.8	0	0	0	111.6	I605 I612 R614 T625 V626 L631 S632	I605-D628 HydrophobicContact CD1-CB 4.45Å; I612-D628 HydrophobicContact CD1-CB 3.86Å; R614-D628 VanDerWaalsContact CD-OD2 3.32Å; R614-D628 WeakPolarHBondContact CD-OD2 3.39Å; R614-D628 VanDerWaalsContact CZ-CG 3.47Å; R614-D628 IonicContact CZ-OD1 2.93Å; R614-D628 IonicContact CZ-OD2 3.21Å; R614-D628 IonicContact NE-OD1 2.95Å; R614-D628 PolarHBondContact NE-OD1 3.5Å; R614-D628 IonicContact NE-OD2 3.83Å; R614-D628 PolarHBondContact NE-OD2 3.08Å; R614-D628 VanDerWaalsContact NE-OD2 3.15Å; R614-D628 IonicContact NH1-OD1 2.67Å; R614-D628 IonicContact NH1-OD2 3.22Å; R614-D628 PolarHBondContact NH1-OD2 3.33Å; R614-D628 IonicContact NH2-OD1 2.69Å; R614-D628 IonicContact NH2-OD2 3.56Å; T625-D628 PolarHBondContact N-OD2 3.49Å; T625-D628 WeakPolarHBondContact O-CB 3.31Å; T625-D628 PolarHBondContact O-N 2.76Å; T625-D628 VanDerWaalsContact O-N 3.07Å; T625-D628 VanDerWaalsContact OG1-CG 3.28Å; T625-D628 PolarHBondContact OG1-N 2.91Å; T625-D628 PolarHBondContact OG1-OD2 3.18Å; V626-D628 PolarHBondContact O-N 3.41Å; D628-L631 PolarHBondContact O-N 2.91Å; D628-S632 WeakPolarHBondContact O-CB 3.45Å; D628-S632 PolarHBondContact O-N 2.72Å
629	H	87.7	Confident	80.8	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-48.8	171.8	-173	60.5	0	0	0	111.5	F500 V601 I605 T625 V626 L627 L631 S632 E633 L675	F500-H629 AromaticContact CE1-CE1 3.71Å; F500-H629 AromaticContact CE1-NE2 3.8Å; V601-H629 HydrophobicContact CG1-CB 3.49Å; V601-H629 VanDerWaalsContact CG1-CB 3.49Å; I605-H629 HydrophobicContact CD1-CB 3.72Å; T625-H629 PolarHBondContact O-N 3Å; V626-H629 VanDerWaalsContact O-CB 3.26Å; V626-H629 WeakPolarHBondContact O-CB 3.3Å; V626-H629 PolarHBondContact O-N 2.7Å; L627-H629 VanDerWaalsContact C-N 3.26Å; L627-H629 PolarHBondContact O-N 3.49Å; H629-L631 VanDerWaalsContact C-N 3.31Å; H629-L631 PolarHBondContact O-N 2.88Å; H629-S632 WeakPolarHBondContact O-CB 3.29Å; H629-S632 PolarHBondContact O-N 2.92Å; H629-S632 VanDerWaalsContact O-N 3.11Å; H629-E633 WeakPolarHBondContact CE1-CG 3.39Å; H629-E633 PolarHBondContact O-N 3.29Å; H629-L675 WeakPolarHBondContact CD2-CD2 3.4Å
630	F	91.5	Very high	82.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-42.6	-179.9	-89.5	-118.8	0	0	0	111.8	V626 L627 S632 F634 F642 A645 F649 L675 V713	V626-F630 HydrophobicContact CG1-CD2 4.02Å; V626-F630 HydrophobicContact CG1-CE2 3.84Å; V626-F630 VanDerWaalsContact O-CD2 3.27Å; V626-F630 WeakPolarHBondContact O-CD2 3.45Å; V626-F630 PolarHBondContact O-N 2.96Å; V626-F630 VanDerWaalsContact O-N 3.08Å; L627-F630 WeakPolarHBondContact O-CB 3.3Å; L627-F630 PolarHBondContact O-N 2.76Å; L627-F630 VanDerWaalsContact O-N 3.15Å; F630-S632 VanDerWaalsContact C-N 3.3Å; F630-S632 PolarHBondContact O-N 3.45Å; F630-F634 HydrophobicContact CB-CD2 4.19Å; F630-F634 AromaticContact CD1-CD2 3.83Å; F630-F634 HydrophobicContact CD1-CD2 3.83Å; F630-F634 HydrophobicContact CD1-CE2 4.04Å; F630-F634 HydrophobicContact CD2-CE2 4.37Å; F630-F634 HydrophobicContact CE1-CD2 4.34Å; F630-F634 HydrophobicContact CE1-CE2 4.16Å; F630-F634 AromaticContact CG-CD2 3.98Å; F630-F634 HydrophobicContact CG-CD2 3.98Å; F630-F634 HydrophobicContact CG-CE2 4.14Å; F630-F634 HydrophobicContact CZ-CE2 4.38Å; F630-F634 WeakPolarHBondContact O-CA 3.4Å; F630-F634 WeakPolarHBondContact O-CB 3.35Å; F630-F634 PolarHBondContact O-N 3.47Å; F630-F642 HydrophobicContact CB-CD2 4.23Å; F630-F642 HydrophobicContact CB-CE2 3.76Å; F630-A645 HydrophobicContact CD1-CB 4.24Å; F630-A645 HydrophobicContact CE1-CB 3.97Å; F630-F649 HydrophobicContact CE1-CB 4.06Å; F630-F649 HydrophobicContact CE1-CD2 4.41Å; F630-F649 HydrophobicContact CE1-CG 4.42Å; F630-F649 HydrophobicContact CE2-CD2 4.01Å; F630-F649 HydrophobicContact CE2-CE2 4.34Å; F630-F649 HydrophobicContact CZ-CB 3.87Å; F630-F649 AromaticContact CZ-CD2 3.48Å; F630-F649 HydrophobicContact CZ-CD2 3.48Å; F630-F649 VanDerWaalsContact CZ-CD2 3.48Å; F630-F649 HydrophobicContact CZ-CE2 4.24Å; F630-F649 AromaticContact CZ-CG 3.91Å; F630-F649 HydrophobicContact CZ-CG 3.91Å; F630-L675 HydrophobicContact CD2-CD2 4.45Å; F630-L675 HydrophobicContact CE2-CD1 3.87Å; F630-L675 HydrophobicContact CE2-CD2 3.78Å; F630-L675 HydrophobicContact CE2-CG 4.47Å; F630-L675 HydrophobicContact CZ-CD1 4.04Å; F630-V713 HydrophobicContact CD1-CG1 3.96Å; F630-V713 HydrophobicContact CD2-CG1 4.24Å; F630-V713 HydrophobicContact CE1-CG1 3.81Å; F630-V713 HydrophobicContact CE2-CG1 4.08Å; F630-V713 HydrophobicContact CG-CG1 4.18Å; F630-V713 HydrophobicContact CZ-CG1 3.89Å
631	L	90.5	Very high	84.6	Confident	50 Å²	50	58.6 Å²	58.6	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-34.8	177	-69.3	170.9	0	0	0	112.5	L627 D628 H629 G635 F637 F642	L627-L631 HydrophobicContact CD1-CG 4.39Å; L627-L631 HydrophobicContact CG-CD1 4.31Å; L627-L631 WeakPolarHBondContact O-CG 3.18Å; L627-L631 PolarHBondContact O-N 2.95Å; D628-L631 PolarHBondContact O-N 2.91Å; H629-L631 VanDerWaalsContact C-N 3.31Å; H629-L631 PolarHBondContact O-N 2.88Å; L631-G635 WeakPolarHBondContact CA-O 3.31Å; L631-G635 CarbonylContact O-C 3.59Å; L631-G635 WeakPolarHBondContact O-CA 3.36Å; L631-G635 PolarHBondContact O-N 2.97Å; L631-F637 HydrophobicContact CD1-CE2 4.15Å; L631-F637 HydrophobicContact CD1-CZ 3.91Å; L631-F637 HydrophobicContact CD2-CD1 4.16Å; L631-F637 HydrophobicContact CD2-CD2 3.92Å; L631-F637 HydrophobicContact CD2-CE1 4.07Å; L631-F637 HydrophobicContact CD2-CE2 3.81Å; L631-F637 HydrophobicContact CD2-CG 4.09Å; L631-F637 HydrophobicContact CD2-CZ 3.89Å; L631-F637 HydrophobicContact CG-CZ 4.38Å; L631-F642 HydrophobicContact CD2-CD2 4.17Å; L631-F642 HydrophobicContact CD2-CE2 3.78Å; L631-F642 HydrophobicContact CG-CE2 4.2Å
632	S	86.1	Confident	86.5	Confident	42 Å²	42	53.4 Å²	53.4	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-73	-46.1	179.5	-167.9	0	0	0	0	112.7	D628 H629 F630	D628-S632 WeakPolarHBondContact O-CB 3.45Å; D628-S632 PolarHBondContact O-N 2.72Å; H629-S632 WeakPolarHBondContact O-CB 3.29Å; H629-S632 PolarHBondContact O-N 2.92Å; H629-S632 VanDerWaalsContact O-N 3.11Å; F630-S632 VanDerWaalsContact C-N 3.3Å; F630-S632 PolarHBondContact O-N 3.45Å
633	E	86.9	Confident	88.4	Confident	38 Å²	38	52.8 Å²	52.8	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-81.5	-47.8	-175.6	-71.2	-58.3	126.5	0	0	112.4	H629	H629-E633 WeakPolarHBondContact CE1-CG 3.39Å; H629-E633 PolarHBondContact O-N 3.29Å
634	F	91.4	Very high	90	Very high	31 Å²	31	51 Å²	51	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-101.5	-5.4	-171.6	-50.7	-65.2	0	0	0	113.9	F630 S639 E641 F642 A645 A677	F630-F634 HydrophobicContact CB-CD2 4.19Å; F630-F634 AromaticContact CD1-CD2 3.83Å; F630-F634 HydrophobicContact CD1-CD2 3.83Å; F630-F634 HydrophobicContact CD1-CE2 4.04Å; F630-F634 HydrophobicContact CD2-CE2 4.37Å; F630-F634 HydrophobicContact CE1-CD2 4.34Å; F630-F634 HydrophobicContact CE1-CE2 4.16Å; F630-F634 AromaticContact CG-CD2 3.98Å; F630-F634 HydrophobicContact CG-CD2 3.98Å; F630-F634 HydrophobicContact CG-CE2 4.14Å; F630-F634 HydrophobicContact CZ-CE2 4.38Å; F630-F634 WeakPolarHBondContact O-CA 3.4Å; F630-F634 WeakPolarHBondContact O-CB 3.35Å; F630-F634 PolarHBondContact O-N 3.47Å; F634-S639 PolarHBondContact O-OG 3.43Å; F634-E641 HydrophobicContact CB-CB 4.32Å; F634-E641 WeakPolarHBondContact O-CB 3.49Å; F634-F642 HydrophobicContact CB-CB 4.24Å; F634-F642 PolarHBondContact O-N 3.49Å; F634-A645 HydrophobicContact CB-CB 4.27Å; F634-A645 HydrophobicContact CD1-CB 3.77Å; F634-A645 HydrophobicContact CD2-CB 3.41Å; F634-A645 VanDerWaalsContact CD2-CB 3.41Å; F634-A645 HydrophobicContact CE1-CB 3.89Å; F634-A645 HydrophobicContact CE2-CB 3.56Å; F634-A645 HydrophobicContact CG-CB 3.54Å; F634-A645 HydrophobicContact CZ-CB 3.8Å; F634-A677 WeakPolarHBondContact CE1-O 3.45Å
635	G	90.2	Very high	91.2	Very high	28 Å²	28	50.7 Å²	50.7	29%	0.289	27%	0.265	S	S	.	.			trans	90.8	-164.6	177	0	0	0	0	0	114.3	L631 F642	L631-G635 WeakPolarHBondContact CA-O 3.31Å; L631-G635 CarbonylContact O-C 3.59Å; L631-G635 WeakPolarHBondContact O-CA 3.36Å; L631-G635 PolarHBondContact O-N 2.97Å; G635-F642 WeakPolarHBondContact O-CD2 3.34Å
636	E	90.5	Very high	91.8	Very high	163 Å²	163	50.5 Å²	50.5	76%	0.762	26%	0.262	S	S	*	.	S	Bend	trans	-67	157	-173.2	-59.9	-179	177.5	0	0	112.7	N638 S639 F642	E636-N638 PolarHBondContact O-N 3.12Å; E636-S639 WeakPolarHBondContact O-CB 3.45Å; E636-S639 PolarHBondContact O-N 2.84Å; E636-S639 PolarHBondContact O-OG 3.37Å; E636-S639 VanDerWaalsContact O-OG 3.07Å; E636-F642 WeakPolarHBondContact O-CB 3.45Å
637	F	89.4	Confident	92.3	Very high	108 Å²	108	51.1 Å²	51.1	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-27.9	-174	-70.1	-77.8	0	0	0	116.9	L627 L631 F642 L643	L627-F637 HydrophobicContact CD1-CE1 3.89Å; L627-F637 HydrophobicContact CD1-CZ 4.49Å; L627-F637 HydrophobicContact CD2-CE1 4.13Å; L627-F637 HydrophobicContact CD2-CZ 4.2Å; L631-F637 HydrophobicContact CD1-CE2 4.15Å; L631-F637 HydrophobicContact CD1-CZ 3.91Å; L631-F637 HydrophobicContact CD2-CD1 4.16Å; L631-F637 HydrophobicContact CD2-CD2 3.92Å; L631-F637 HydrophobicContact CD2-CE1 4.07Å; L631-F637 HydrophobicContact CD2-CE2 3.81Å; L631-F637 HydrophobicContact CD2-CG 4.09Å; L631-F637 HydrophobicContact CD2-CZ 3.89Å; L631-F637 HydrophobicContact CG-CZ 4.38Å; F637-F642 HydrophobicContact CB-CE1 4.5Å; F637-F642 AromaticContact CD1-CE1 3.86Å; F637-F642 HydrophobicContact CD1-CE1 3.86Å; F637-F642 HydrophobicContact CD1-CE2 4.28Å; F637-F642 AromaticContact CD1-CZ 3.6Å; F637-F642 HydrophobicContact CD1-CZ 3.6Å; F637-F642 HydrophobicContact CE1-CZ 4.04Å; F637-F642 VanDerWaalsContact O-CD1 3.23Å; F637-F642 WeakPolarHBondContact O-CD1 3.33Å; F637-L643 WeakPolarHBondContact O-CD2 3.46Å
638	N	89.2	Confident	92.6	Very high	148 Å²	148	51.7 Å²	51.7	79%	0.791	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	5.6	-176.8	-63.9	-40	0	0	0	113.4	E636	E636-N638 PolarHBondContact O-N 3.12Å
639	S	94.3	Very high	93.1	Very high	28 Å²	28	51.5 Å²	51.5	20%	0.196	27%	0.268	C	S	.	.	S	Bend	trans	-68.2	150.7	173.9	71.4	0	0	0	0	110.4	F634 E636 E641 F642 L643	F634-S639 PolarHBondContact O-OG 3.43Å; E636-S639 WeakPolarHBondContact O-CB 3.45Å; E636-S639 PolarHBondContact O-N 2.84Å; E636-S639 PolarHBondContact O-OG 3.37Å; E636-S639 VanDerWaalsContact O-OG 3.07Å; S639-E641 PolarHBondContact O-N 3.28Å; S639-F642 PolarHBondContact O-N 2.9Å; S639-F642 WeakPolarHBondContact OG-CB 3.28Å; S639-F642 PolarHBondContact OG-N 3.02Å; S639-L643 WeakPolarHBondContact O-CB 3.11Å; S639-L643 VanDerWaalsContact O-CG 3.31Å; S639-L643 WeakPolarHBondContact O-CG 3.48Å; S639-L643 PolarHBondContact O-N 2.64Å
640	E	94.7	Very high	93.6	Very high	143 Å²	143	51.3 Å²	51.3	67%	0.668	27%	0.267	S	S	*	.	H	α-helix	trans	-61.8	-37.9	176.8	-177.5	173.4	-176.5	0	0	110.8	T644	E640-T644 VanDerWaalsContact O-CB 3.26Å; E640-T644 WeakPolarHBondContact O-CB 3.37Å; E640-T644 PolarHBondContact O-N 2.86Å; E640-T644 PolarHBondContact O-OG1 2.97Å
641	E	94.6	Very high	94	Very high	118 Å²	118	53.4 Å²	53.4	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-64.9	-46.6	178	-60.6	83.9	174.7	0	0	111.6	F634 S639 T644 A645	F634-E641 HydrophobicContact CB-CB 4.32Å; F634-E641 WeakPolarHBondContact O-CB 3.49Å; S639-E641 PolarHBondContact O-N 3.28Å; E641-T644 PolarHBondContact O-N 3.16Å; E641-A645 WeakPolarHBondContact O-CB 3.49Å; E641-A645 PolarHBondContact O-N 3.48Å
642	F	96.2	Very high	94.3	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-47	178	-179.1	-82.9	0	0	0	111.1	L627 F630 L631 F634 G635 E636 F637 S639 T644 A645 Q646	L627-F642 HydrophobicContact CD1-CE2 4.06Å; L627-F642 HydrophobicContact CD1-CZ 3.88Å; F630-F642 HydrophobicContact CB-CD2 4.23Å; F630-F642 HydrophobicContact CB-CE2 3.76Å; L631-F642 HydrophobicContact CD2-CD2 4.17Å; L631-F642 HydrophobicContact CD2-CE2 3.78Å; L631-F642 HydrophobicContact CG-CE2 4.2Å; F634-F642 HydrophobicContact CB-CB 4.24Å; F634-F642 PolarHBondContact O-N 3.49Å; G635-F642 WeakPolarHBondContact O-CD2 3.34Å; E636-F642 WeakPolarHBondContact O-CB 3.45Å; F637-F642 HydrophobicContact CB-CE1 4.5Å; F637-F642 AromaticContact CD1-CE1 3.86Å; F637-F642 HydrophobicContact CD1-CE1 3.86Å; F637-F642 HydrophobicContact CD1-CE2 4.28Å; F637-F642 AromaticContact CD1-CZ 3.6Å; F637-F642 HydrophobicContact CD1-CZ 3.6Å; F637-F642 HydrophobicContact CE1-CZ 4.04Å; F637-F642 VanDerWaalsContact O-CD1 3.23Å; F637-F642 WeakPolarHBondContact O-CD1 3.33Å; S639-F642 PolarHBondContact O-N 2.9Å; S639-F642 WeakPolarHBondContact OG-CB 3.28Å; S639-F642 PolarHBondContact OG-N 3.02Å; F642-T644 VanDerWaalsContact C-N 3.3Å; F642-T644 PolarHBondContact O-N 3.48Å; F642-A645 PolarHBondContact O-N 3.2Å; F642-Q646 HydrophobicContact CE1-CB 4.3Å; F642-Q646 VanDerWaalsContact O-CB 3.25Å; F642-Q646 WeakPolarHBondContact O-CB 3.45Å; F642-Q646 PolarHBondContact O-N 3.46Å
643	L	96.3	Very high	94.9	Very high	58 Å²	58	49.2 Å²	49.2	30%	0.304	25%	0.25	S	C	.	.	H	α-helix	trans	-64.4	-36.4	179.7	-67.6	174.2	0	0	0	111.9	F637 S639 N647	F637-L643 WeakPolarHBondContact O-CD2 3.46Å; S639-L643 WeakPolarHBondContact O-CB 3.11Å; S639-L643 VanDerWaalsContact O-CG 3.31Å; S639-L643 WeakPolarHBondContact O-CG 3.48Å; S639-L643 PolarHBondContact O-N 2.64Å; L643-N647 VanDerWaalsContact O-CB 3.3Å; L643-N647 WeakPolarHBondContact O-CB 3.14Å; L643-N647 PolarHBondContact O-N 2.86Å
644	T	97.3	Very high	95.5	Very high	62 Å²	62	47.4 Å²	47.4	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-66.3	-49	175.1	-61	0	0	0	0	111	E640 E641 F642 Q646 N647 N648	E640-T644 VanDerWaalsContact O-CB 3.26Å; E640-T644 WeakPolarHBondContact O-CB 3.37Å; E640-T644 PolarHBondContact O-N 2.86Å; E640-T644 PolarHBondContact O-OG1 2.97Å; E641-T644 PolarHBondContact O-N 3.16Å; F642-T644 VanDerWaalsContact C-N 3.3Å; F642-T644 PolarHBondContact O-N 3.48Å; T644-Q646 PolarHBondContact O-N 2.86Å; T644-N647 PolarHBondContact O-N 2.84Å; T644-N648 VanDerWaalsContact O-CG 3.3Å; T644-N648 PolarHBondContact O-N 3.07Å
645	A	97.2	Very high	95.8	Very high	3 Å²	3	46 Å²	46	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-41	177.5	0	0	0	0	0	112.1	F630 F634 E641 F642 N647 N648 F649	F630-A645 HydrophobicContact CD1-CB 4.24Å; F630-A645 HydrophobicContact CE1-CB 3.97Å; F634-A645 HydrophobicContact CB-CB 4.27Å; F634-A645 HydrophobicContact CD1-CB 3.77Å; F634-A645 HydrophobicContact CD2-CB 3.41Å; F634-A645 VanDerWaalsContact CD2-CB 3.41Å; F634-A645 HydrophobicContact CE1-CB 3.89Å; F634-A645 HydrophobicContact CE2-CB 3.56Å; F634-A645 HydrophobicContact CG-CB 3.54Å; F634-A645 HydrophobicContact CZ-CB 3.8Å; E641-A645 WeakPolarHBondContact O-CB 3.49Å; E641-A645 PolarHBondContact O-N 3.48Å; F642-A645 PolarHBondContact O-N 3.2Å; A645-N647 PolarHBondContact O-N 2.95Å; A645-N648 WeakPolarHBondContact O-CB 3.25Å; A645-N648 PolarHBondContact O-N 2.66Å; A645-F649 WeakPolarHBondContact O-CB 3.35Å; A645-F649 PolarHBondContact O-N 2.82Å
646	Q	97.6	Very high	96.2	Very high	16 Å²	16	44.6 Å²	44.6	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-42.3	175.7	-176.6	-176.6	61.7	0	0	111.5	F642 T644 F649 I650 V713	F642-Q646 HydrophobicContact CE1-CB 4.3Å; F642-Q646 VanDerWaalsContact O-CB 3.25Å; F642-Q646 WeakPolarHBondContact O-CB 3.45Å; F642-Q646 PolarHBondContact O-N 3.46Å; T644-Q646 PolarHBondContact O-N 2.86Å; Q646-F649 WeakPolarHBondContact O-CB 3.38Å; Q646-F649 PolarHBondContact O-N 3.23Å; Q646-I650 HydrophobicContact CG-CD1 3.99Å; Q646-I650 WeakPolarHBondContact O-CD1 3.49Å; Q646-I650 VanDerWaalsContact O-CG1 3.29Å; Q646-I650 WeakPolarHBondContact O-CG1 3.42Å; Q646-I650 PolarHBondContact O-N 2.84Å; Q646-V713 PolarHBondContact NE2-O 3.22Å
647	N	97.6	Very high	96.5	Very high	16 Å²	16	37 Å²	37	9%	0.086	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-40.7	175.7	179.2	48.1	0	0	0	111.7	L643 T644 A645 I650 R651 Y724	L643-N647 VanDerWaalsContact O-CB 3.3Å; L643-N647 WeakPolarHBondContact O-CB 3.14Å; L643-N647 PolarHBondContact O-N 2.86Å; T644-N647 PolarHBondContact O-N 2.84Å; A645-N647 PolarHBondContact O-N 2.95Å; N647-I650 PolarHBondContact O-N 2.92Å; N647-R651 PolarHBondContact ND2-NE 3.48Å; N647-R651 PolarHBondContact ND2-NH2 3.35Å; N647-R651 WeakPolarHBondContact O-CB 3.39Å; N647-R651 WeakPolarHBondContact O-CG 3.38Å; N647-R651 PolarHBondContact O-N 3.42Å; N647-R651 PolarHBondContact OD1-NE 2.9Å; N647-Y724 WeakPolarHBondContact OD1-CE1 3.45Å
648	N	98.2	Very high	97	Very high	24 Å²	24	31.9 Å²	31.9	13%	0.128	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-46.1	172.7	-74.7	-9.9	0	0	0	111.6	T644 A645 I650 R651 S652 E678 H680	T644-N648 VanDerWaalsContact O-CG 3.3Å; T644-N648 PolarHBondContact O-N 3.07Å; A645-N648 WeakPolarHBondContact O-CB 3.25Å; A645-N648 PolarHBondContact O-N 2.66Å; N648-I650 PolarHBondContact O-N 2.87Å; N648-R651 PolarHBondContact O-N 2.85Å; N648-S652 PolarHBondContact O-N 2.78Å; N648-S652 PolarHBondContact O-OG 3.49Å; N648-E678 PolarHBondContact ND2-O 2.84Å; N648-H680 WeakPolarHBondContact CB-NE2 3.24Å; N648-H680 PolarHBondContact O-CD2 3.44Å
649	F	98.1	Very high	97.3	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-57.1	-49.2	175.2	-172.9	-92.6	0	0	0	111.7	V626 F630 A645 Q646 S652 C653 L675 G679 I681 I710 V713 M714	V626-F649 HydrophobicContact CG1-CE2 4.27Å; F630-F649 HydrophobicContact CE1-CB 4.06Å; F630-F649 HydrophobicContact CE1-CD2 4.41Å; F630-F649 HydrophobicContact CE1-CG 4.42Å; F630-F649 HydrophobicContact CE2-CD2 4.01Å; F630-F649 HydrophobicContact CE2-CE2 4.34Å; F630-F649 HydrophobicContact CZ-CB 3.87Å; F630-F649 AromaticContact CZ-CD2 3.48Å; F630-F649 HydrophobicContact CZ-CD2 3.48Å; F630-F649 VanDerWaalsContact CZ-CD2 3.48Å; F630-F649 HydrophobicContact CZ-CE2 4.24Å; F630-F649 AromaticContact CZ-CG 3.91Å; F630-F649 HydrophobicContact CZ-CG 3.91Å; A645-F649 WeakPolarHBondContact O-CB 3.35Å; A645-F649 PolarHBondContact O-N 2.82Å; Q646-F649 WeakPolarHBondContact O-CB 3.38Å; Q646-F649 PolarHBondContact O-N 3.23Å; F649-S652 PolarHBondContact O-OG 3.25Å; F649-C653 WeakPolarHBondContact O-CB 3.31Å; F649-C653 PolarHBondContact O-N 2.97Å; F649-L675 HydrophobicContact CD2-CD1 4.11Å; F649-L675 HydrophobicContact CE2-CD1 4.4Å; F649-G679 WeakPolarHBondContact CA-O 3.33Å; F649-G679 WeakPolarHBondContact CB-O 3.43Å; F649-G679 WeakPolarHBondContact CD2-O 3.21Å; F649-G679 PolarHBondContact N-O 3Å; F649-I681 HydrophobicContact CD2-CG2 3.38Å; F649-I681 HydrophobicContact CE2-CG2 3.12Å; F649-I681 HydrophobicContact CG-CG2 4.25Å; F649-I681 HydrophobicContact CZ-CG2 3.79Å; F649-I710 HydrophobicContact CE1-CG2 3.84Å; F649-I710 HydrophobicContact CZ-CB 4.43Å; F649-I710 HydrophobicContact CZ-CG1 4.44Å; F649-I710 HydrophobicContact CZ-CG2 3.93Å; F649-V713 HydrophobicContact CB-CG1 4.48Å; F649-V713 HydrophobicContact CD1-CB 4.17Å; F649-V713 HydrophobicContact CD1-CG1 3.66Å; F649-V713 HydrophobicContact CD2-CG1 4.15Å; F649-V713 HydrophobicContact CE1-CB 3.78Å; F649-V713 HydrophobicContact CE1-CG1 3.77Å; F649-V713 HydrophobicContact CE1-CG2 4.43Å; F649-V713 HydrophobicContact CE2-CG1 4.23Å; F649-V713 HydrophobicContact CG-CG1 3.85Å; F649-V713 HydrophobicContact CZ-CB 4.02Å; F649-V713 HydrophobicContact CZ-CG1 4.05Å; F649-V713 HydrophobicContact CZ-CG2 4.16Å; F649-M714 HydrophobicContact CD1-CE 4.28Å; F649-M714 HydrophobicContact CD1-CG 4.41Å; F649-M714 HydrophobicContact CE1-CE 4.02Å; F649-M714 HydrophobicContact CE1-CG 4.36Å
650	I	98.4	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-45.3	179.8	-72.8	162.1	0	0	0	111.4	Q646 N647 N648 C653 A654 M714 M721 Y724 F725 L728	Q646-I650 HydrophobicContact CG-CD1 3.99Å; Q646-I650 WeakPolarHBondContact O-CD1 3.49Å; Q646-I650 VanDerWaalsContact O-CG1 3.29Å; Q646-I650 WeakPolarHBondContact O-CG1 3.42Å; Q646-I650 PolarHBondContact O-N 2.84Å; N647-I650 PolarHBondContact O-N 2.92Å; N648-I650 PolarHBondContact O-N 2.87Å; I650-C653 PolarHBondContact O-N 3.26Å; I650-A654 WeakPolarHBondContact O-CB 3.41Å; I650-A654 PolarHBondContact O-N 2.9Å; I650-M714 HydrophobicContact CD1-CG 4.46Å; I650-M714 HydrophobicContact CG1-CB 4.44Å; I650-M714 HydrophobicContact CG1-CG 3.85Å; I650-M714 HydrophobicContact CG1-SD 4.39Å; I650-M721 HydrophobicContact CD1-CB 3.71Å; I650-M721 HydrophobicContact CD1-CG 4.22Å; I650-M721 HydrophobicContact CD1-SD 4.02Å; I650-Y724 HydrophobicContact CG2-CD1 3.9Å; I650-Y724 HydrophobicContact CG2-CE1 4.23Å; I650-F725 HydrophobicContact CG2-CB 3.85Å; I650-L728 HydrophobicContact CG2-CD1 3.9Å
651	R	98.5	Very high	97.5	Very high	44 Å²	44	17.7 Å²	17.7	17%	0.166	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-44.5	-179.4	-74	173	176.6	-173.5	-4	112.5	T28 P571 L572 N647 N648 A655 L728	T28-R651 VanDerWaalsContact CG2-NH2 3.32Å; P571-R651 WeakPolarHBondContact O-CB 3.48Å; P571-R651 VanDerWaalsContact O-CD 3.25Å; P571-R651 WeakPolarHBondContact O-CD 3.35Å; P571-R651 WeakPolarHBondContact O-CG 3.39Å; L572-R651 VanDerWaalsContact CD2-O 3.26Å; L572-R651 WeakPolarHBondContact CD2-O 3.42Å; N647-R651 PolarHBondContact ND2-NE 3.48Å; N647-R651 PolarHBondContact ND2-NH2 3.35Å; N647-R651 WeakPolarHBondContact O-CB 3.39Å; N647-R651 WeakPolarHBondContact O-CG 3.38Å; N647-R651 PolarHBondContact O-N 3.42Å; N647-R651 PolarHBondContact OD1-NE 2.9Å; N648-R651 PolarHBondContact O-N 2.85Å; R651-A655 WeakPolarHBondContact O-CB 3.4Å; R651-A655 PolarHBondContact O-N 3.5Å; R651-L728 HydrophobicContact CG-CD1 3.96Å
652	S	98.4	Very high	97.6	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-75.7	-33	177.6	73.7	0	0	0	0	112	R573 N648 F649 A655 Y656 H680 I681	R573-S652 VanDerWaalsContact O-CA 3.26Å; R573-S652 WeakPolarHBondContact O-CA 3.41Å; R573-S652 VanDerWaalsContact O-CB 3.28Å; R573-S652 WeakPolarHBondContact O-CB 3.44Å; N648-S652 PolarHBondContact O-N 2.78Å; N648-S652 PolarHBondContact O-OG 3.49Å; F649-S652 PolarHBondContact O-OG 3.25Å; S652-A655 WeakPolarHBondContact O-CB 3.36Å; S652-A655 PolarHBondContact O-N 3.36Å; S652-Y656 VanDerWaalsContact O-CD2 3.26Å; S652-Y656 WeakPolarHBondContact O-CD2 3.37Å; S652-Y656 PolarHBondContact O-N 2.94Å; S652-H680 WeakPolarHBondContact OG-CA 3.45Å; S652-I681 WeakPolarHBondContact CB-O 3.46Å; S652-I681 WeakPolarHBondContact OG-CG1 3.29Å; S652-I681 PolarHBondContact OG-N 2.81Å; S652-I681 PolarHBondContact OG-O 3.45Å
653	C	98.3	Very high	97.6	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.014	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-50.7	174.7	-171.8	0	0	0	0	111.8	F649 I650 A655 Y656 C657 I681 M714 F725	F649-C653 WeakPolarHBondContact O-CB 3.31Å; F649-C653 PolarHBondContact O-N 2.97Å; I650-C653 PolarHBondContact O-N 3.26Å; C653-A655 VanDerWaalsContact C-N 3.26Å; C653-A655 PolarHBondContact O-N 3.08Å; C653-Y656 PolarHBondContact O-N 3.21Å; C653-C657 WeakPolarHBondContact O-CB 3.47Å; C653-C657 PolarHBondContact O-N 2.99Å; C653-C657 PolarHBondContact O-SG 3.14Å; C653-I681 VanDerWaalsContact CA-CD1 3.47Å; C653-I681 HydrophobicContact CB-CD1 3.71Å; C653-I681 HydrophobicContact CB-CG1 4.13Å; C653-M714 HydrophobicContact CB-CE 3.83Å; C653-M714 WeakPolarHBondContact SG-CE 3.41Å; C653-F725 HydrophobicContact CB-CE2 4.21Å
654	A	98.5	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.1	-38.7	176.7	0	0	0	0	0	111.9	L572 I650 C657 L658 F725 L728 M729	L572-A654 HydrophobicContact CD2-CB 3.49Å; L572-A654 VanDerWaalsContact CD2-CB 3.49Å; I650-A654 WeakPolarHBondContact O-CB 3.41Å; I650-A654 PolarHBondContact O-N 2.9Å; A654-C657 PolarHBondContact O-N 3.05Å; A654-L658 WeakPolarHBondContact O-CG 3.26Å; A654-L658 PolarHBondContact O-N 3.08Å; A654-L658 VanDerWaalsContact O-N 3.14Å; A654-F725 HydrophobicContact CB-CD2 3.81Å; A654-F725 HydrophobicContact CB-CE2 3.91Å; A654-L728 HydrophobicContact CB-CB 3.96Å; A654-M729 HydrophobicContact CB-CG 3.79Å
655	A	98.6	Very high	97.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.9	-49.9	177.4	0	0	0	0	0	112.1	W565 L572 L574 R651 S652 C653 L658 M659	W565-A655 HydrophobicContact CH2-CB 3.97Å; W565-A655 HydrophobicContact CZ3-CB 3.67Å; L572-A655 HydrophobicContact CB-CB 4.03Å; L572-A655 HydrophobicContact CD2-CB 4.23Å; L574-A655 HydrophobicContact CD2-CB 3.83Å; L574-A655 HydrophobicContact CG-CB 4.08Å; R651-A655 WeakPolarHBondContact O-CB 3.4Å; R651-A655 PolarHBondContact O-N 3.5Å; S652-A655 WeakPolarHBondContact O-CB 3.36Å; S652-A655 PolarHBondContact O-N 3.36Å; C653-A655 VanDerWaalsContact C-N 3.26Å; C653-A655 PolarHBondContact O-N 3.08Å; A655-L658 PolarHBondContact O-N 3.14Å; A655-M659 WeakPolarHBondContact O-CB 3.47Å; A655-M659 PolarHBondContact O-N 3.35Å
656	Y	98.4	Very high	96.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-71.1	-30.6	179.4	-78.6	-70.7	0	0	0	113	M558 L574 R575 S652 C653 M659 C660 I681 H683 F686	M558-Y656 HydrophobicContact CE-CE1 4.25Å; L574-Y656 HydrophobicContact CD2-CD1 3.69Å; L574-Y656 HydrophobicContact CD2-CD2 4Å; L574-Y656 HydrophobicContact CD2-CE1 3.59Å; L574-Y656 HydrophobicContact CD2-CE2 3.85Å; L574-Y656 HydrophobicContact CD2-CG 3.91Å; R575-Y656 PolarHBondContact N-OH 3.5Å; R575-Y656 PolarHBondContact O-OH 3.38Å; S652-Y656 VanDerWaalsContact O-CD2 3.26Å; S652-Y656 WeakPolarHBondContact O-CD2 3.37Å; S652-Y656 PolarHBondContact O-N 2.94Å; C653-Y656 PolarHBondContact O-N 3.21Å; Y656-M659 PolarHBondContact O-N 3.5Å; Y656-C660 VanDerWaalsContact O-CB 3.3Å; Y656-C660 WeakPolarHBondContact O-CB 3.45Å; Y656-C660 PolarHBondContact O-N 3.29Å; Y656-C660 PolarHBondContact O-SG 2.97Å; Y656-I681 HydrophobicContact CD2-CG1 4.21Å; Y656-I681 WeakPolarHBondContact CD2-O 3.35Å; Y656-I681 WeakPolarHBondContact CE2-O 3.36Å; Y656-H683 HydrophobicContact CD1-CB 3.46Å; Y656-H683 VanDerWaalsContact CD1-CB 3.46Å; Y656-H683 AromaticContact CD1-CD2 3.86Å; Y656-H683 AromaticContact CD1-CG 3.61Å; Y656-H683 HydrophobicContact CE1-CB 3.64Å; Y656-H683 HydrophobicContact CG-CB 4.09Å; Y656-H683 AromaticContact CG-CD2 3.53Å; Y656-H683 AromaticContact CG-CG 3.77Å; Y656-F686 HydrophobicContact CE1-CZ 4.14Å
657	C	97.8	Very high	96.5	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.02	5%	0.046	C	C	.	.	H	α-helix	trans	-59.8	-48.5	170.6	-74.1	0	0	0	0	111.5	C653 A654 C660 Y661 F704 M729	C653-C657 WeakPolarHBondContact O-CB 3.47Å; C653-C657 PolarHBondContact O-N 2.99Å; C653-C657 PolarHBondContact O-SG 3.14Å; A654-C657 PolarHBondContact O-N 3.05Å; C657-C660 PolarHBondContact O-N 3.28Å; C657-Y661 WeakPolarHBondContact O-CB 3.28Å; C657-Y661 PolarHBondContact O-N 3.2Å; C657-F704 HydrophobicContact CB-CD1 3.92Å; C657-F704 HydrophobicContact CB-CD2 4.07Å; C657-F704 HydrophobicContact CB-CE1 4.15Å; C657-F704 HydrophobicContact CB-CE2 4.26Å; C657-F704 HydrophobicContact CB-CG 3.9Å; C657-F704 HydrophobicContact CB-CZ 4.31Å; C657-F704 WeakPolarHBondContact SG-CD2 3.42Å; C657-M729 HydrophobicContact CB-CE 3.86Å; C657-M729 HydrophobicContact CB-SD 4.2Å
658	L	98.1	Very high	96.2	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-63.9	-42.7	176.5	-69.8	177.1	0	0	0	112.1	W565 L572 A654 A655 Y661 L662 M729 L733	W565-L658 HydrophobicContact CZ2-CB 4.2Å; W565-L658 HydrophobicContact CZ2-CD1 3.92Å; L572-L658 HydrophobicContact CD1-CD1 3.78Å; A654-L658 WeakPolarHBondContact O-CG 3.26Å; A654-L658 PolarHBondContact O-N 3.08Å; A654-L658 VanDerWaalsContact O-N 3.14Å; A655-L658 PolarHBondContact O-N 3.14Å; L658-Y661 PolarHBondContact O-N 3.25Å; L658-L662 WeakPolarHBondContact O-CB 3.26Å; L658-L662 VanDerWaalsContact O-CG 3.27Å; L658-L662 WeakPolarHBondContact O-CG 3.48Å; L658-L662 PolarHBondContact O-N 3.5Å; L658-M729 HydrophobicContact CD2-CB 4.43Å; L658-M729 HydrophobicContact CD2-CE 4.25Å; L658-L733 HydrophobicContact CD2-CB 3.91Å; L658-L733 HydrophobicContact CD2-CD1 4.47Å
659	M	96.7	Very high	95.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60.4	-47.1	175.9	179	61.9	179	0	0	111.7	A554 I557 M558 L561 A655 Y656 Y661 L662 L663	A554-M659 HydrophobicContact CB-CE 4.29Å; I557-M659 HydrophobicContact CB-CE 4.47Å; I557-M659 HydrophobicContact CG2-CE 4.37Å; I557-M659 HydrophobicContact CG2-SD 4.1Å; M558-M659 HydrophobicContact CG-CE 3.43Å; M558-M659 VanDerWaalsContact CG-CE 3.43Å; M558-M659 HydrophobicContact CG-CG 4.44Å; M558-M659 HydrophobicContact CG-SD 4.04Å; M558-M659 HydrophobicContact SD-CE 4.25Å; L561-M659 HydrophobicContact CD1-CB 4.45Å; L561-M659 HydrophobicContact CD1-SD 3.5Å; L561-M659 VanDerWaalsContact CD1-SD 3.5Å; A655-M659 WeakPolarHBondContact O-CB 3.47Å; A655-M659 PolarHBondContact O-N 3.35Å; Y656-M659 PolarHBondContact O-N 3.5Å; M659-Y661 VanDerWaalsContact C-N 3.34Å; M659-Y661 PolarHBondContact O-N 3.29Å; M659-L662 PolarHBondContact O-N 2.83Å; M659-L663 HydrophobicContact CE-CD1 3.24Å; M659-L663 HydrophobicContact CE-CG 3.95Å; M659-L663 PolarHBondContact O-N 3.39Å; M659-L663 HydrophobicContact SD-CD1 3.97Å; M659-L663 HydrophobicContact SD-CG 4.03Å
660	C	96.4	Very high	95.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.4	-42.8	177.2	-70.1	0	0	0	0	111.6	Y656 C657 Q664 V665 H683 F704	Y656-C660 VanDerWaalsContact O-CB 3.3Å; Y656-C660 WeakPolarHBondContact O-CB 3.45Å; Y656-C660 PolarHBondContact O-N 3.29Å; Y656-C660 PolarHBondContact O-SG 2.97Å; C657-C660 PolarHBondContact O-N 3.28Å; C660-Q664 CarbonylContact O-C 3.48Å; C660-Q664 WeakPolarHBondContact O-CA 3.31Å; C660-Q664 PolarHBondContact O-N 3.43Å; C660-V665 HydrophobicContact CB-CB 4.22Å; C660-V665 HydrophobicContact CB-CG2 4.49Å; C660-V665 PolarHBondContact O-N 3.26Å; C660-H683 PolarHBondContact SG-ND1 3.2Å; C660-F704 HydrophobicContact CB-CB 3.92Å
661	Y	96.4	Very high	94.7	Very high	21 Å²	21	10 Å²	10	8%	0.082	5%	0.05	C	C	.	.	H	α-helix	trans	-62.5	-54.7	176.6	171.6	-113.4	0	0	0	112.2	C657 L658 M659 Q664 P703 R772 H774 M789	C657-Y661 WeakPolarHBondContact O-CB 3.28Å; C657-Y661 PolarHBondContact O-N 3.2Å; L658-Y661 PolarHBondContact O-N 3.25Å; M659-Y661 VanDerWaalsContact C-N 3.34Å; M659-Y661 PolarHBondContact O-N 3.29Å; Y661-Q664 PolarHBondContact O-N 3.33Å; Y661-Q664 PolarHBondContact O-NE2 3.11Å; Y661-Q664 VanDerWaalsContact O-NE2 3.1Å; Y661-P703 HydrophobicContact CD2-CB 4.13Å; Y661-R772 HydrophobicContact CE1-CB 3.99Å; Y661-R772 HydrophobicContact CE1-CG 4.49Å; Y661-R772 VanDerWaalsContact CE1-O 3.27Å; Y661-R772 WeakPolarHBondContact CE1-O 3.2Å; Y661-R772 HydrophobicContact CE2-CG 4.37Å; Y661-R772 VanDerWaalsContact O-CD 3.26Å; Y661-R772 WeakPolarHBondContact O-CD 3.42Å; Y661-R772 PolarHBondContact O-NE 3.31Å; Y661-H774 PolarHBondContact OH-NE2 2.98Å; Y661-M789 HydrophobicContact CD1-SD 4.1Å; Y661-M789 HydrophobicContact CD2-SD 3.54Å; Y661-M789 VanDerWaalsContact CD2-SD 3.54Å; Y661-M789 HydrophobicContact CE1-SD 4.01Å; Y661-M789 HydrophobicContact CE2-SD 3.43Å; Y661-M789 WeakPolarHBondContact CE2-SD 3.33Å; Y661-M789 HydrophobicContact CG-SD 3.86Å
662	L	96.8	Very high	94.4	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.016	5%	0.047	C	C	.	.	H	α-helix	trans	-63.5	-45.7	-175.3	-71.5	174.3	0	0	0	111.5	L561 L658 M659 L733 A736 L769 R772 F773	L561-L662 HydrophobicContact CD2-CD1 4.09Å; L658-L662 WeakPolarHBondContact O-CB 3.26Å; L658-L662 VanDerWaalsContact O-CG 3.27Å; L658-L662 WeakPolarHBondContact O-CG 3.48Å; L658-L662 PolarHBondContact O-N 3.5Å; M659-L662 PolarHBondContact O-N 2.83Å; L662-L733 HydrophobicContact CD2-CD1 4.35Å; L662-A736 HydrophobicContact CD1-CB 4.22Å; L662-L769 WeakPolarHBondContact O-CD1 3.45Å; L662-R772 HydrophobicContact CD2-CB 4.35Å; L662-R772 VanDerWaalsContact O-CZ 3.22Å; L662-R772 PolarHBondContact O-NE 3.3Å; L662-R772 PolarHBondContact O-NH2 3.07Å; L662-F773 HydrophobicContact CD1-CE1 4Å; L662-F773 HydrophobicContact CD1-CZ 4.25Å; L662-F773 HydrophobicContact CD2-CD1 3.98Å; L662-F773 HydrophobicContact CD2-CD2 4.38Å; L662-F773 HydrophobicContact CD2-CE1 3.85Å; L662-F773 HydrophobicContact CD2-CE2 4.25Å; L662-F773 HydrophobicContact CD2-CG 4.26Å; L662-F773 HydrophobicContact CD2-CZ 3.98Å
663	L	95.6	Very high	94.2	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-88.5	0.1	179	-68.4	-158.5	0	0	0	114.3	A554 I557 M659 V665 L690 L769	A554-L663 HydrophobicContact CB-CD1 4.5Å; I557-L663 HydrophobicContact CB-CD1 4.05Å; I557-L663 HydrophobicContact CG1-CD1 4.24Å; I557-L663 HydrophobicContact CG1-CD2 4.4Å; I557-L663 HydrophobicContact CG2-CD1 4.01Å; I557-L663 HydrophobicContact CG2-CD2 4.12Å; I557-L663 HydrophobicContact CG2-CG 4.19Å; M659-L663 HydrophobicContact CE-CD1 3.24Å; M659-L663 HydrophobicContact CE-CG 3.95Å; M659-L663 PolarHBondContact O-N 3.39Å; M659-L663 HydrophobicContact SD-CD1 3.97Å; M659-L663 HydrophobicContact SD-CG 4.03Å; L663-V665 HydrophobicContact CB-CG2 3.97Å; L663-V665 PolarHBondContact O-N 3Å; L663-L690 HydrophobicContact CD2-CD2 4.18Å; L663-L690 WeakPolarHBondContact O-CA 2.94Å; L663-L690 PolarHBondContact O-N 3.45Å; L663-L769 HydrophobicContact CD2-CD1 4.4Å
664	Q	94.4	Very high	94	Very high	41 Å²	41	9.6 Å²	9.6	19%	0.192	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	47.2	-174.2	-73	-67.4	-57	0	0	111.7	C660 Y661 K666	C660-Q664 CarbonylContact O-C 3.48Å; C660-Q664 WeakPolarHBondContact O-CA 3.31Å; C660-Q664 PolarHBondContact O-N 3.43Å; Y661-Q664 PolarHBondContact O-N 3.33Å; Y661-Q664 PolarHBondContact O-NE2 3.11Å; Y661-Q664 VanDerWaalsContact O-NE2 3.1Å; Q664-K666 WeakPolarHBondContact O-CE 3.45Å; Q664-K666 WeakPolarHBondContact O-CG 3.42Å; Q664-K666 PolarHBondContact O-N 3.45Å
665	V	93.7	Very high	93.8	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.036	5%	0.051	C	C	.	.			trans	-62.8	129.6	179.3	-177.3	0	0	0	0	108.8	C660 L663 R668 F686 I689	C660-V665 HydrophobicContact CB-CB 4.22Å; C660-V665 HydrophobicContact CB-CG2 4.49Å; C660-V665 PolarHBondContact O-N 3.26Å; L663-V665 HydrophobicContact CB-CG2 3.97Å; L663-V665 PolarHBondContact O-N 3Å; V665-R668 HydrophobicContact CG1-CG 4.38Å; V665-F686 HydrophobicContact CG1-CD1 3.75Å; V665-F686 HydrophobicContact CG1-CE1 4.11Å; V665-F686 HydrophobicContact CG2-CD1 3.9Å; V665-F686 HydrophobicContact CG2-CE1 4.11Å; V665-I689 HydrophobicContact CG2-CG2 4.03Å
666	K	89	Confident	93.6	Very high	23 Å²	23	10.5 Å²	10.5	10%	0.1	6%	0.056	C	C	.	.			trans	-110.2	-179.8	177.4	-52.5	-57.5	174.3	-174.9	0	110.7	Q664 R668 Y688 E700	Q664-K666 WeakPolarHBondContact O-CE 3.45Å; Q664-K666 WeakPolarHBondContact O-CG 3.42Å; Q664-K666 PolarHBondContact O-N 3.45Å; K666-R668 PolarHBondContact O-N 2.88Å; K666-R668 PolarHBondContact O-NE 2.94Å; K666-R668 PolarHBondContact O-NH2 3.32Å; K666-Y688 PolarHBondContact N-O 3.13Å; K666-E700 VanDerWaalsContact CA-OE2 3.27Å; K666-E700 WeakPolarHBondContact CA-OE2 3.28Å; K666-E700 HydrophobicContact CD-CB 4.16Å; K666-E700 HydrophobicContact CD-CG 4.3Å; K666-E700 PolarHBondContact NZ-O 3.05Å
667	D	88.4	Confident	93.2	Very high	20 Å²	20	12.1 Å²	12.1	11%	0.107	7%	0.069	C	C	.	.			trans	61.2	43.6	177.7	-160.3	3.4	0	0	0	111.9	H669 N672 Y688 P694 E700 Y802 Q806	D667-H669 IonicContact OD1-CD2 3.49Å; D667-H669 PolarHBondContact OD1-CD2 2.83Å; D667-H669 IonicContact OD1-NE2 3.93Å; D667-H669 PolarHBondContact OD1-NE2 3.02Å; D667-N672 PolarHBondContact O-ND2 2.87Å; D667-Y688 HydrophobicContact CB-CD2 3.76Å; D667-Y688 HydrophobicContact CB-CE2 4.36Å; D667-Y688 WeakPolarHBondContact OD2-CE2 3.44Å; D667-P694 HydrophobicContact CB-CG 3.76Å; D667-E700 PolarHBondContact N-OE2 3.25Å; D667-Y802 VanDerWaalsContact CG-OH 3.3Å; D667-Y802 WeakPolarHBondContact OD1-CE1 3.11Å; D667-Y802 PolarHBondContact OD1-OH 3.38Å; D667-Q806 PolarHBondContact OD1-NE2 2.86Å; D667-Q806 VanDerWaalsContact OD1-NE2 3.08Å
668	R	91	Very high	93	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.096	C	C	.	.			trans	-93.6	104.3	178.8	-62.8	-57.1	84.5	-177.6	2	109.7	V665 K666 I684 D685 K705	V665-R668 HydrophobicContact CG1-CG 4.38Å; K666-R668 PolarHBondContact O-N 2.88Å; K666-R668 PolarHBondContact O-NE 2.94Å; K666-R668 PolarHBondContact O-NH2 3.32Å; R668-I684 PolarHBondContact NH1-O 2.87Å; R668-I684 PolarHBondContact NH2-O 3.22Å; R668-D685 PolarHBondContact NH2-O 3.05Å; R668-K705 HydrophobicContact CB-CB 4.18Å; R668-K705 WeakPolarHBondContact O-CD 3.44Å
669	H	87.5	Confident	92.9	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.046	10%	0.096	C	C	.	.			trans	-134.9	170.5	174.2	60.2	86.2	0	0	0	110.5	D667 G671 N672 I673 Q806 I812	D667-H669 IonicContact OD1-CD2 3.49Å; D667-H669 PolarHBondContact OD1-CD2 2.83Å; D667-H669 IonicContact OD1-NE2 3.93Å; D667-H669 PolarHBondContact OD1-NE2 3.02Å; H669-G671 PolarHBondContact ND1-N 3.12Å; H669-G671 PolarHBondContact O-N 3.27Å; H669-N672 PolarHBondContact CE1-OD1 3.42Å; H669-N672 PolarHBondContact NE2-ND2 2.89Å; H669-N672 PolarHBondContact O-N 2.94Å; H669-I673 PolarHBondContact O-N 3.49Å; H669-Q806 HydrophobicContact CB-CB 4.29Å; H669-Q806 HydrophobicContact CB-CG 3.88Å; H669-Q806 PolarHBondContact CD2-NE2 3.29Å; H669-I812 VanDerWaalsContact CE1-CD1 3.45Å; H669-I812 WeakPolarHBondContact CE1-CD1 3.29Å
670	N	88.5	Confident	93	Very high	15 Å²	15	18.9 Å²	18.9	8%	0.08	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.1	-172.6	-66.8	-11.9	0	0	0	114.6	L598 H599 K705 L813	L598-N670 HydrophobicContact CB-CB 4.07Å; L598-N670 PolarHBondContact N-O 3.36Å; L598-N670 VanDerWaalsContact N-O 3.17Å; H599-N670 HydrophobicContact CB-CB 4.14Å; H599-N670 PolarHBondContact N-O 3.38Å; N670-K705 PolarHBondContact OD1-NZ 3.24Å; N670-L813 VanDerWaalsContact CB-O 3.23Å; N670-L813 WeakPolarHBondContact CB-O 3.43Å; N670-L813 PolarHBondContact ND2-O 3.02Å; N670-L813 PolarHBondContact ND2-OXT 3.3Å
671	G	87.3	Confident	93	Very high	16 Å²	16	19 Å²	19	17%	0.165	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-24.4	172	0	0	0	0	0	113.8	H669	H669-G671 PolarHBondContact ND1-N 3.12Å; H669-G671 PolarHBondContact O-N 3.27Å
672	N	92.1	Very high	93.1	Very high	17 Å²	17	18.1 Å²	18.1	9%	0.091	10%	0.098	C	C	.	.	S	Bend	trans	-99.9	6.9	179.6	-72.1	-8.1	0	0	0	113	D667 H669 H683 I684	D667-N672 PolarHBondContact O-ND2 2.87Å; H669-N672 PolarHBondContact CE1-OD1 3.42Å; H669-N672 PolarHBondContact NE2-ND2 2.89Å; H669-N672 PolarHBondContact O-N 2.94Å; N672-H683 WeakPolarHBondContact O-CA 3.37Å; N672-I684 HydrophobicContact CB-CG1 4.46Å; N672-I684 WeakPolarHBondContact O-CG1 3.42Å; N672-I684 PolarHBondContact O-N 3.45Å
673	I	94.5	Very high	93	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.5	174.9	-55.1	173.8	0	0	0	106.6	S597 L598 H669 I681 K705	S597-I673 CarbonylContact C-O 3.43Å; S597-I673 WeakPolarHBondContact CA-O 3.26Å; L598-I673 HydrophobicContact CD1-CB 3.92Å; L598-I673 HydrophobicContact CD1-CG2 3.55Å; L598-I673 HydrophobicContact CG-CB 4.16Å; L598-I673 HydrophobicContact CG-CG2 3.92Å; L598-I673 PolarHBondContact N-O 3Å; H669-I673 PolarHBondContact O-N 3.49Å; I673-I681 HydrophobicContact CG2-CB 4.25Å; I673-K705 HydrophobicContact CD1-CD 4.13Å
674	L	94.6	Very high	93	Very high	22 Å²	22	20.2 Å²	20.2	12%	0.115	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	156.8	176.1	-46.2	-179.1	0	0	0	110.4	V592 A595 V596 I681 I682 I684	V592-L674 HydrophobicContact CB-CD1 4.06Å; V592-L674 HydrophobicContact CG1-CD1 4.5Å; V592-L674 HydrophobicContact CG2-CD1 4.35Å; A595-L674 HydrophobicContact CB-CB 4.13Å; A595-L674 HydrophobicContact CB-CD1 4.25Å; V596-L674 CarbonylContact O-C 3.6Å; V596-L674 WeakPolarHBondContact O-CA 3.21Å; L674-I681 CarbonylContact O-C 3.45Å; L674-I681 VanDerWaalsContact O-CA 3.27Å; L674-I681 WeakPolarHBondContact O-CA 3.24Å; L674-I682 HydrophobicContact CB-CB 4.24Å; L674-I682 PolarHBondContact N-O 3.05Å; L674-I682 PolarHBondContact O-N 2.92Å; L674-I684 HydrophobicContact CD1-CD1 4.19Å; L674-I684 HydrophobicContact CD1-CG2 3.78Å; L674-I684 HydrophobicContact CD2-CD1 3.9Å; L674-I684 HydrophobicContact CD2-CG1 4.49Å; L674-I684 HydrophobicContact CG-CD1 4.1Å; L674-I684 HydrophobicContact CG-CG1 4.32Å; L674-I684 HydrophobicContact CG-CG2 4.11Å
675	L	94.5	Very high	92.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.4	168.1	-178.7	66.8	0	0	0	107.9	A595 V596 L598 V601 V626 H629 F630 F649 H680	A595-L675 VanDerWaalsContact CA-O 3.26Å; A595-L675 WeakPolarHBondContact CA-O 3.5Å; V596-L675 PolarHBondContact N-O 3.22Å; V596-L675 PolarHBondContact O-N 3.48Å; L598-L675 HydrophobicContact CD2-CB 3.94Å; V601-L675 HydrophobicContact CG2-CD2 4.22Å; V626-L675 HydrophobicContact CG1-CD2 4.33Å; H629-L675 WeakPolarHBondContact CD2-CD2 3.4Å; F630-L675 HydrophobicContact CD2-CD2 4.45Å; F630-L675 HydrophobicContact CE2-CD1 3.87Å; F630-L675 HydrophobicContact CE2-CD2 3.78Å; F630-L675 HydrophobicContact CE2-CG 4.47Å; F630-L675 HydrophobicContact CZ-CD1 4.04Å; F649-L675 HydrophobicContact CD2-CD1 4.11Å; F649-L675 HydrophobicContact CE2-CD1 4.4Å; L675-H680 WeakPolarHBondContact CA-O 3.35Å
676	D	93.4	Very high	93	Very high	20 Å²	20	20.4 Å²	20.4	11%	0.107	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	166.8	175.8	76.7	11.2	0	0	0	112.8	N594 A595 E678 G679 H680 I682	N594-D676 WeakPolarHBondContact O-CA 3.24Å; A595-D676 HydrophobicContact CB-CB 4.17Å; D676-E678 PolarHBondContact O-N 2.93Å; D676-E678 VanDerWaalsContact O-N 3.09Å; D676-E678 WeakPolarHBondContact OD1-CA 3.32Å; D676-E678 PolarHBondContact OD1-N 2.8Å; D676-G679 PolarHBondContact O-N 3.34Å; D676-G679 PolarHBondContact OD1-N 3.09Å; D676-H680 PolarHBondContact N-O 3.47Å; D676-H680 IonicContact OD1-CG 3.42Å; D676-H680 PolarHBondContact OD1-N 3.22Å; D676-H680 IonicContact OD1-ND1 2.83Å; D676-H680 PolarHBondContact OD1-ND1 2.82Å; D676-H680 WeakPolarHBondContact OD2-CB 3.45Å; D676-H680 IonicContact OD2-CG 3.92Å; D676-H680 IonicContact OD2-ND1 3.04Å; D676-H680 PolarHBondContact OD2-ND1 2.69Å; D676-I682 HydrophobicContact CB-CD1 3.94Å
677	A	91.3	Very high	93.1	Very high	34 Å²	34	20.1 Å²	20.1	28%	0.281	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-10	178.6	0	0	0	0	0	114.7	F500 N594 F634	F500-A677 HydrophobicContact CE2-CB 4.38Å; N594-A677 HydrophobicContact CB-CB 4.26Å; N594-A677 PolarHBondContact O-N 3.09Å; F634-A677 WeakPolarHBondContact CE1-O 3.45Å
678	E	93.8	Very high	93.2	Very high	125 Å²	125	23.1 Å²	23.1	58%	0.584	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-0.6	177.3	-65.6	176.1	-161.7	0	0	112.4	N648 D676 H680	N648-E678 PolarHBondContact ND2-O 2.84Å; D676-E678 PolarHBondContact O-N 2.93Å; D676-E678 VanDerWaalsContact O-N 3.09Å; D676-E678 WeakPolarHBondContact OD1-CA 3.32Å; D676-E678 PolarHBondContact OD1-N 2.8Å; E678-H680 IonicContact OE2-CE1 3.57Å; E678-H680 PolarHBondContact OE2-CE1 2.65Å; E678-H680 IonicContact OE2-ND1 2.64Å
679	G	95.1	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	91.4	6.7	179.1	0	0	0	0	0	115.1	F649 D676	F649-G679 WeakPolarHBondContact CA-O 3.33Å; F649-G679 WeakPolarHBondContact CB-O 3.43Å; F649-G679 WeakPolarHBondContact CD2-O 3.21Å; F649-G679 PolarHBondContact N-O 3Å; D676-G679 PolarHBondContact O-N 3.34Å; D676-G679 PolarHBondContact OD1-N 3.09Å
680	H	97.8	Very high	93.7	Very high	20 Å²	20	23.2 Å²	23.2	9%	0.093	13%	0.126	C	C	.	.			trans	-79	135.6	176.3	-53.9	94.7	0	0	0	111.5	N648 S652 L675 D676 E678	N648-H680 WeakPolarHBondContact CB-NE2 3.24Å; N648-H680 PolarHBondContact O-CD2 3.44Å; S652-H680 WeakPolarHBondContact OG-CA 3.45Å; L675-H680 WeakPolarHBondContact CA-O 3.35Å; D676-H680 PolarHBondContact N-O 3.47Å; D676-H680 IonicContact OD1-CG 3.42Å; D676-H680 PolarHBondContact OD1-N 3.22Å; D676-H680 IonicContact OD1-ND1 2.83Å; D676-H680 PolarHBondContact OD1-ND1 2.82Å; D676-H680 WeakPolarHBondContact OD2-CB 3.45Å; D676-H680 IonicContact OD2-CG 3.92Å; D676-H680 IonicContact OD2-ND1 3.04Å; D676-H680 PolarHBondContact OD2-ND1 2.69Å; E678-H680 IonicContact OE2-CE1 3.57Å; E678-H680 PolarHBondContact OE2-CE1 2.65Å; E678-H680 IonicContact OE2-ND1 2.64Å
681	I	97	Very high	93.7	Very high	4 Å²	4	25 Å²	25	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	143.4	160	77.1	167	0	0	0	111.5	F649 S652 C653 Y656 I673 L674	F649-I681 HydrophobicContact CD2-CG2 3.38Å; F649-I681 HydrophobicContact CE2-CG2 3.12Å; F649-I681 HydrophobicContact CG-CG2 4.25Å; F649-I681 HydrophobicContact CZ-CG2 3.79Å; S652-I681 WeakPolarHBondContact CB-O 3.46Å; S652-I681 WeakPolarHBondContact OG-CG1 3.29Å; S652-I681 PolarHBondContact OG-N 2.81Å; S652-I681 PolarHBondContact OG-O 3.45Å; C653-I681 VanDerWaalsContact CA-CD1 3.47Å; C653-I681 HydrophobicContact CB-CD1 3.71Å; C653-I681 HydrophobicContact CB-CG1 4.13Å; Y656-I681 HydrophobicContact CD2-CG1 4.21Å; Y656-I681 WeakPolarHBondContact CD2-O 3.35Å; Y656-I681 WeakPolarHBondContact CE2-O 3.36Å; I673-I681 HydrophobicContact CG2-CB 4.25Å; L674-I681 CarbonylContact O-C 3.45Å; L674-I681 VanDerWaalsContact O-CA 3.27Å; L674-I681 WeakPolarHBondContact O-CA 3.24Å
682	I	97.7	Very high	93.8	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	111.7	-178.5	-60	167.9	0	0	0	109.1	R575 V592 L674 D676 I684	R575-I682 HydrophobicContact CB-CB 4.36Å; R575-I682 HydrophobicContact CB-CD1 3.8Å; R575-I682 HydrophobicContact CB-CG1 3.74Å; R575-I682 HydrophobicContact CB-CG2 3.77Å; R575-I682 HydrophobicContact CG-CD1 3.93Å; R575-I682 HydrophobicContact CG-CG1 4.39Å; R575-I682 HydrophobicContact CG-CG2 4.16Å; V592-I682 HydrophobicContact CG1-CD1 3.66Å; V592-I682 HydrophobicContact CG2-CG2 4.11Å; L674-I682 HydrophobicContact CB-CB 4.24Å; L674-I682 PolarHBondContact N-O 3.05Å; L674-I682 PolarHBondContact O-N 2.92Å; D676-I682 HydrophobicContact CB-CD1 3.94Å; I682-I684 HydrophobicContact CG2-CG2 4.31Å
683	H	96.7	Very high	93.3	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.4	174.3	-67.6	-146.8	0	0	0	110.2	Y656 C660 N672 F686	Y656-H683 HydrophobicContact CD1-CB 3.46Å; Y656-H683 VanDerWaalsContact CD1-CB 3.46Å; Y656-H683 AromaticContact CD1-CD2 3.86Å; Y656-H683 AromaticContact CD1-CG 3.61Å; Y656-H683 HydrophobicContact CE1-CB 3.64Å; Y656-H683 HydrophobicContact CG-CB 4.09Å; Y656-H683 AromaticContact CG-CD2 3.53Å; Y656-H683 AromaticContact CG-CG 3.77Å; C660-H683 PolarHBondContact SG-ND1 3.2Å; N672-H683 WeakPolarHBondContact O-CA 3.37Å; H683-F686 HydrophobicContact CB-CE1 4.31Å; H683-F686 HydrophobicContact CB-CZ 3.96Å
684	I	95	Very high	92.5	Very high	43 Å²	43	26.1 Å²	26.1	22%	0.221	15%	0.146	C	C	.	.			trans	-126.1	168.2	177.1	60.2	165.8	0	0	0	111.5	Y577 R668 N672 L674 I682	Y577-I684 HydrophobicContact CE1-CG2 4.18Å; R668-I684 PolarHBondContact NH1-O 2.87Å; R668-I684 PolarHBondContact NH2-O 3.22Å; N672-I684 HydrophobicContact CB-CG1 4.46Å; N672-I684 WeakPolarHBondContact O-CG1 3.42Å; N672-I684 PolarHBondContact O-N 3.45Å; L674-I684 HydrophobicContact CD1-CD1 4.19Å; L674-I684 HydrophobicContact CD1-CG2 3.78Å; L674-I684 HydrophobicContact CD2-CD1 3.9Å; L674-I684 HydrophobicContact CD2-CG1 4.49Å; L674-I684 HydrophobicContact CG-CD1 4.1Å; L674-I684 HydrophobicContact CG-CG1 4.32Å; L674-I684 HydrophobicContact CG-CG2 4.11Å; I682-I684 HydrophobicContact CG2-CG2 4.31Å
685	D	92.6	Very high	91.5	Very high	51 Å²	51	32.6 Å²	32.6	27%	0.273	17%	0.173	S	C	.	.			trans	61.2	73.9	175.8	-149.5	-39	0	0	0	113.4	K543 R668 G687	K543-D685 IonicContact NZ-OD2 3.61Å; K543-D685 PolarHBondContact NZ-OD2 3.17Å; R668-D685 PolarHBondContact NH2-O 3.05Å; D685-G687 PolarHBondContact O-N 3.14Å
686	F	94.4	Very high	90	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.			trans	-85.8	33.7	176	-61.3	-74.4	0	0	0	112.7	E551 A554 M558 Y577 Y656 V665 H683 Y688 I689	E551-F686 WeakPolarHBondContact OE1-CD2 3.42Å; E551-F686 PolarHBondContact OE1-N 3.06Å; E551-F686 WeakPolarHBondContact OE2-CA 3.25Å; E551-F686 PolarHBondContact OE2-N 3.44Å; A554-F686 HydrophobicContact CB-CB 3.41Å; A554-F686 VanDerWaalsContact CB-CB 3.41Å; A554-F686 HydrophobicContact CB-CD1 4.36Å; A554-F686 HydrophobicContact CB-CD2 3.91Å; A554-F686 HydrophobicContact CB-CG 3.65Å; M558-F686 HydrophobicContact CE-CE2 4.49Å; M558-F686 HydrophobicContact SD-CD2 4.25Å; M558-F686 HydrophobicContact SD-CE2 3.47Å; M558-F686 WeakPolarHBondContact SD-CE2 3.4Å; M558-F686 HydrophobicContact SD-CZ 3.83Å; Y577-F686 HydrophobicContact CE1-CE2 4.22Å; Y577-F686 AromaticContact CZ-CE2 3.95Å; Y577-F686 WeakPolarHBondContact OH-CD2 3.45Å; Y577-F686 WeakPolarHBondContact OH-CE2 3.2Å; Y656-F686 HydrophobicContact CE1-CZ 4.14Å; V665-F686 HydrophobicContact CG1-CD1 3.75Å; V665-F686 HydrophobicContact CG1-CE1 4.11Å; V665-F686 HydrophobicContact CG2-CD1 3.9Å; V665-F686 HydrophobicContact CG2-CE1 4.11Å; H683-F686 HydrophobicContact CB-CE1 4.31Å; H683-F686 HydrophobicContact CB-CZ 3.96Å; F686-Y688 PolarHBondContact O-N 3.04Å; F686-Y688 VanDerWaalsContact O-N 3.17Å; F686-I689 HydrophobicContact CB-CG2 4.16Å
687	G	90.9	Very high	88.6	Confident	18 Å²	18	40.6 Å²	40.6	19%	0.186	22%	0.215	C	C	.	.			trans	-62.9	-18.3	178	0	0	0	0	0	114.9	Q550 D685	Q550-G687 PolarHBondContact NE2-O 3.13Å; Q550-G687 VanDerWaalsContact NE2-O 3.08Å; Q550-G687 PolarHBondContact OE1-O 2.83Å; D685-G687 PolarHBondContact O-N 3.14Å
688	Y	91.4	Very high	87.1	Confident	82 Å²	82	41.4 Å²	41.4	32%	0.322	23%	0.227	S	C	.	.	S	Bend	trans	-125.9	97.4	178.9	-55.6	-78.5	0	0	0	111.9	K666 D667 F686 S692 P694	K666-Y688 PolarHBondContact N-O 3.13Å; D667-Y688 HydrophobicContact CB-CD2 3.76Å; D667-Y688 HydrophobicContact CB-CE2 4.36Å; D667-Y688 WeakPolarHBondContact OD2-CE2 3.44Å; F686-Y688 PolarHBondContact O-N 3.04Å; F686-Y688 VanDerWaalsContact O-N 3.17Å; Y688-S692 VanDerWaalsContact CA-OG 3.31Å; Y688-S692 WeakPolarHBondContact CA-OG 3.49Å; Y688-P694 HydrophobicContact CD1-CG 4.1Å; Y688-P694 HydrophobicContact CD2-CG 3.74Å; Y688-P694 HydrophobicContact CE1-CB 4.32Å; Y688-P694 HydrophobicContact CE1-CG 4.26Å; Y688-P694 HydrophobicContact CE2-CB 4.32Å; Y688-P694 HydrophobicContact CE2-CG 3.91Å; Y688-P694 HydrophobicContact CG-CG 3.83Å
689	I	94.5	Very high	85.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.			trans	-129	164.6	177.2	61.2	176.1	0	0	0	112.1	Q550 L553 A554 V665 F686 S691 S692 C758	Q550-I689 HydrophobicContact CB-CD1 4.42Å; Q550-I689 HydrophobicContact CB-CG1 4.49Å; L553-I689 HydrophobicContact CD2-CD1 4.09Å; L553-I689 HydrophobicContact CG-CD1 4.38Å; A554-I689 HydrophobicContact CB-CD1 4.49Å; V665-I689 HydrophobicContact CG2-CG2 4.03Å; F686-I689 HydrophobicContact CB-CG2 4.16Å; I689-S691 PolarHBondContact O-N 3.38Å; I689-S692 PolarHBondContact N-OG 3.29Å; I689-S692 WeakPolarHBondContact O-CB 3.41Å; I689-S692 PolarHBondContact O-N 2.94Å; I689-S692 PolarHBondContact O-OG 3.19Å; I689-C758 HydrophobicContact CG1-CB 3.95Å; I689-C758 WeakPolarHBondContact O-CB 3.48Å
690	L	93.8	Very high	83.9	Confident	14 Å²	14	43 Å²	43	7%	0.073	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-113.6	176	-57.3	170.9	0	0	0	112	L663 S692 V747 C758 F759 V765	L663-L690 HydrophobicContact CD2-CD2 4.18Å; L663-L690 WeakPolarHBondContact O-CA 2.94Å; L663-L690 PolarHBondContact O-N 3.45Å; L690-S692 VanDerWaalsContact C-N 3.32Å; L690-V747 HydrophobicContact CD1-CG1 3.93Å; L690-C758 HydrophobicContact CB-CB 4.15Å; L690-C758 WeakPolarHBondContact CB-O 3.48Å; L690-C758 HydrophobicContact CD1-CB 4.44Å; L690-F759 HydrophobicContact CD1-CD1 4.35Å; L690-F759 HydrophobicContact CD1-CE1 3.78Å; L690-V765 HydrophobicContact CB-CG1 3.94Å; L690-V765 HydrophobicContact CD1-CG1 3.8Å; L690-V765 HydrophobicContact CD2-CG1 4.32Å; L690-V765 HydrophobicContact CG-CG1 4.24Å
691	S	90.1	Very high	82.4	Confident	53 Å²	53	47 Å²	47	37%	0.371	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.9	-179.7	73.3	0	0	0	0	114.2	I689 P757 C758 R760	I689-S691 PolarHBondContact O-N 3.38Å; S691-P757 PolarHBondContact OG-O 3Å; S691-C758 PolarHBondContact N-O 2.6Å; S691-C758 PolarHBondContact OG-O 3.4Å; S691-R760 PolarHBondContact OG-N 3.15Å
692	S	88	Confident	81.5	Confident	7 Å²	7	47.1 Å²	47.1	5%	0.049	26%	0.263	C	S	.	.			trans	-88.3	144.1	-179.4	68.8	0	0	0	0	111.3	Q550 Y688 I689 L690	Q550-S692 PolarHBondContact OE1-OG 3.39Å; Y688-S692 VanDerWaalsContact CA-OG 3.31Å; Y688-S692 WeakPolarHBondContact CA-OG 3.49Å; I689-S692 PolarHBondContact N-OG 3.29Å; I689-S692 WeakPolarHBondContact O-CB 3.41Å; I689-S692 PolarHBondContact O-N 2.94Å; I689-S692 PolarHBondContact O-OG 3.19Å; L690-S692 VanDerWaalsContact C-N 3.32Å
693	S	82.2	Confident	80.5	Confident	28 Å²	28	48 Å²	48	20%	0.196	27%	0.269	C	S	.	.			trans	-142.1	148.9	172.8	55.7	0	0	0	0	111	K695 N696	S693-K695 PolarHBondContact O-N 2.92Å; S693-N696 PolarHBondContact O-N 2.94Å; S693-N696 WeakPolarHBondContact OG-CA 3.17Å
694	P	77.9	Confident	80.1	Confident	22 Å²	22	48 Å²	48	14%	0.143	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-54.6	126.2	174.1	-24	32.4	0	0	0	110.7	D667 Y688 N696 L697	D667-P694 HydrophobicContact CB-CG 3.76Å; Y688-P694 HydrophobicContact CD1-CG 4.1Å; Y688-P694 HydrophobicContact CD2-CG 3.74Å; Y688-P694 HydrophobicContact CE1-CB 4.32Å; Y688-P694 HydrophobicContact CE1-CG 4.26Å; Y688-P694 HydrophobicContact CE2-CB 4.32Å; Y688-P694 HydrophobicContact CE2-CG 3.91Å; Y688-P694 HydrophobicContact CG-CG 3.83Å; P694-N696 PolarHBondContact O-N 2.93Å; P694-L697 PolarHBondContact O-N 3.18Å
695	K	72.9	Confident	79.9	Confident	158 Å²	158	46.2 Å²	46.2	69%	0.687	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	52.7	21.7	178.3	-60.4	179.1	-178.2	177.9	0	114.8	S693 L697	S693-K695 PolarHBondContact O-N 2.92Å; K695-L697 HydrophobicContact CB-CD1 3.96Å; K695-L697 HydrophobicContact CB-CG 3.82Å; K695-L697 HydrophobicContact CD-CD1 4.34Å; K695-L697 PolarHBondContact O-N 2.93Å; K695-L697 VanDerWaalsContact O-N 3.16Å
696	N	64.2	Low	79.9	Confident	111 Å²	111	44 Å²	44	59%	0.594	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	53.6	23.4	-172.3	-53.2	-43.7	0	0	0	114.2	S693 P694 G698 R760	S693-N696 PolarHBondContact O-N 2.94Å; S693-N696 WeakPolarHBondContact OG-CA 3.17Å; P694-N696 PolarHBondContact O-N 2.93Å; N696-G698 VanDerWaalsContact C-N 3.27Å; N696-G698 PolarHBondContact O-N 3.41Å; N696-R760 PolarHBondContact OD1-NH1 3.1Å
697	L	62.6	Low	79.7	Confident	76 Å²	76	45.4 Å²	45.4	40%	0.398	26%	0.256	S	S	.	.			trans	-74.1	-17.2	-170.7	-75.9	176.4	0	0	0	113.5	P694 K695 F699	P694-L697 PolarHBondContact O-N 3.18Å; K695-L697 HydrophobicContact CB-CD1 3.96Å; K695-L697 HydrophobicContact CB-CG 3.82Å; K695-L697 HydrophobicContact CD-CD1 4.34Å; K695-L697 PolarHBondContact O-N 2.93Å; K695-L697 VanDerWaalsContact O-N 3.16Å; L697-F699 HydrophobicContact CB-CD2 3.5Å; L697-F699 VanDerWaalsContact CB-CD2 3.5Å; L697-F699 HydrophobicContact CB-CE2 3.56Å; L697-F699 HydrophobicContact CB-CG 4.35Å; L697-F699 HydrophobicContact CB-CZ 4.45Å; L697-F699 HydrophobicContact CD1-CD2 4.22Å; L697-F699 HydrophobicContact CD1-CE2 3.96Å; L697-F699 HydrophobicContact CD2-CD2 4.46Å; L697-F699 HydrophobicContact CD2-CE2 3.63Å; L697-F699 HydrophobicContact CD2-CZ 4.16Å; L697-F699 HydrophobicContact CG-CD2 4.24Å; L697-F699 HydrophobicContact CG-CE2 3.88Å; L697-F699 WeakPolarHBondContact O-CD1 3.44Å; L697-F699 WeakPolarHBondContact O-CG 3.4Å; L697-F699 PolarHBondContact O-N 3.14Å
698	G	60.9	Low	79.6	Confident	51 Å²	51	48.1 Å²	48.1	53%	0.526	27%	0.266	S	S	.	.			trans	58.7	5.9	172	0	0	0	0	0	116.4	N696 E700	N696-G698 VanDerWaalsContact C-N 3.27Å; N696-G698 PolarHBondContact O-N 3.41Å; G698-E700 VanDerWaalsContact C-N 3.34Å; G698-E700 PolarHBondContact O-N 3.45Å
699	F	59.1	Low	79.4	Confident	139 Å²	139	46.7 Å²	46.7	61%	0.61	26%	0.262	S	S	*	.			trans	-73.2	-22.7	-169.4	-64.7	-52	0	0	0	114.4	L697 C701 T798	L697-F699 HydrophobicContact CB-CD2 3.5Å; L697-F699 VanDerWaalsContact CB-CD2 3.5Å; L697-F699 HydrophobicContact CB-CE2 3.56Å; L697-F699 HydrophobicContact CB-CG 4.35Å; L697-F699 HydrophobicContact CB-CZ 4.45Å; L697-F699 HydrophobicContact CD1-CD2 4.22Å; L697-F699 HydrophobicContact CD1-CE2 3.96Å; L697-F699 HydrophobicContact CD2-CD2 4.46Å; L697-F699 HydrophobicContact CD2-CE2 3.63Å; L697-F699 HydrophobicContact CD2-CZ 4.16Å; L697-F699 HydrophobicContact CG-CD2 4.24Å; L697-F699 HydrophobicContact CG-CE2 3.88Å; L697-F699 WeakPolarHBondContact O-CD1 3.44Å; L697-F699 WeakPolarHBondContact O-CG 3.4Å; L697-F699 PolarHBondContact O-N 3.14Å; F699-C701 PolarHBondContact O-N 3.19Å; F699-C701 VanDerWaalsContact O-N 3.07Å; F699-T798 WeakPolarHBondContact O-CB 3.25Å; F699-T798 WeakPolarHBondContact O-CG2 3.19Å
700	E	62.1	Low	79.3	Confident	21 Å²	21	46.9 Å²	46.9	10%	0.098	26%	0.263	C	S	.	.			trans	-86.4	85.2	-174.8	-170.5	165.6	-147.1	0	0	110.4	K666 D667 G698	K666-E700 VanDerWaalsContact CA-OE2 3.27Å; K666-E700 WeakPolarHBondContact CA-OE2 3.28Å; K666-E700 HydrophobicContact CD-CB 4.16Å; K666-E700 HydrophobicContact CD-CG 4.3Å; K666-E700 PolarHBondContact NZ-O 3.05Å; D667-E700 PolarHBondContact N-OE2 3.25Å; G698-E700 VanDerWaalsContact C-N 3.34Å; G698-E700 PolarHBondContact O-N 3.45Å
701	C	66.1	Low	79.4	Confident	103 Å²	103	46.4 Å²	46.4	70%	0.696	26%	0.261	S	S	*	.			trans	-85.7	-14	176.9	-62.7	0	0	0	0	113.3	F699	F699-C701 PolarHBondContact O-N 3.19Å; F699-C701 VanDerWaalsContact O-N 3.07Å
702	S	78.8	Confident	79.6	Confident	7 Å²	7	47 Å²	47	5%	0.049	26%	0.258	C	S	.	.	S	Bend	trans	-64.8	137.9	180	-170.8	0	0	0	0	111.2	F704 S793	S702-F704 VanDerWaalsContact C-N 3.26Å; S702-F704 PolarHBondContact O-N 2.8Å; S702-F704 PolarHBondContact OG-O 3.29Å; S702-S793 WeakPolarHBondContact OG-CA 3.22Å; S702-S793 PolarHBondContact OG-OG 3.07Å; S702-S793 VanDerWaalsContact OG-OG 3.09Å
703	P	76.1	Confident	79.9	Confident	20 Å²	20	46.7 Å²	46.7	13%	0.13	26%	0.255	C	S	.	.	S	Bend	trans	-54.1	-40.6	173.5	-28.5	34.8	0	0	0	113.8	Y661 M789 S793	Y661-P703 HydrophobicContact CD2-CB 4.13Å; P703-M789 HydrophobicContact CB-CG 4.5Å; P703-M789 HydrophobicContact CG-CB 4.41Å; P703-M789 HydrophobicContact CG-CG 4.25Å; P703-S793 WeakPolarHBondContact CD-OG 3.43Å
704	F	89.2	Confident	80.5	Confident	5 Å²	5	45.3 Å²	45.3	2%	0.022	25%	0.246	C	C	.	.	S	Bend	trans	-160	172.7	176.3	47.6	-96.2	0	0	0	110.4	C657 C660 S702 L706 M729 M789 V790 S793	C657-F704 HydrophobicContact CB-CD1 3.92Å; C657-F704 HydrophobicContact CB-CD2 4.07Å; C657-F704 HydrophobicContact CB-CE1 4.15Å; C657-F704 HydrophobicContact CB-CE2 4.26Å; C657-F704 HydrophobicContact CB-CG 3.9Å; C657-F704 HydrophobicContact CB-CZ 4.31Å; C657-F704 WeakPolarHBondContact SG-CD2 3.42Å; C660-F704 HydrophobicContact CB-CB 3.92Å; S702-F704 VanDerWaalsContact C-N 3.26Å; S702-F704 PolarHBondContact O-N 2.8Å; S702-F704 PolarHBondContact OG-O 3.29Å; F704-L706 HydrophobicContact CD2-CB 3.97Å; F704-L706 HydrophobicContact CE2-CB 3.84Å; F704-L706 HydrophobicContact CE2-CD2 4.12Å; F704-L706 HydrophobicContact CE2-CG 4.49Å; F704-M729 HydrophobicContact CE1-CE 3.64Å; F704-M729 HydrophobicContact CZ-CE 3.77Å; F704-M729 HydrophobicContact CZ-SD 4.31Å; F704-M789 HydrophobicContact CE1-CB 4.19Å; F704-V790 HydrophobicContact CZ-CG2 4.17Å; F704-S793 VanDerWaalsContact CE2-CB 3.47Å; F704-S793 PolarHBondContact N-OG 3.44Å; F704-S793 WeakPolarHBondContact O-CB 3.49Å; F704-S793 PolarHBondContact O-OG 3Å; F704-S793 VanDerWaalsContact O-OG 3.09Å
705	K	90.6	Very high	81.3	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.022	26%	0.264	C	S	.	.			trans	-88.1	117.5	174.5	176.9	164.8	-171.9	177.6	0	109.7	R668 N670 I673 T707 T799 D803	R668-K705 HydrophobicContact CB-CB 4.18Å; R668-K705 WeakPolarHBondContact O-CD 3.44Å; N670-K705 PolarHBondContact OD1-NZ 3.24Å; I673-K705 HydrophobicContact CD1-CD 4.13Å; K705-T707 VanDerWaalsContact CE-CG2 3.49Å; K705-T707 HydrophobicContact CG-CG2 4.16Å; K705-T799 HydrophobicContact CB-CG2 4.28Å; K705-T799 HydrophobicContact CD-CG2 3.95Å; K705-T799 HydrophobicContact CG-CG2 3.73Å; K705-D803 VanDerWaalsContact CE-OD2 3.29Å; K705-D803 WeakPolarHBondContact CE-OD2 3.47Å; K705-D803 IonicContact NZ-OD1 2.8Å; K705-D803 PolarHBondContact NZ-OD1 2.9Å; K705-D803 IonicContact NZ-OD2 2.75Å; K705-D803 PolarHBondContact NZ-OD2 2.9Å
706	L	92.1	Very high	82.3	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.016	24%	0.239	C	C	.	.			trans	-137.7	94.4	174.3	-175.5	69	0	0	0	108.7	F704 I710 I711 F722 F725 V790 R794	F704-L706 HydrophobicContact CD2-CB 3.97Å; F704-L706 HydrophobicContact CE2-CB 3.84Å; F704-L706 HydrophobicContact CE2-CD2 4.12Å; F704-L706 HydrophobicContact CE2-CG 4.49Å; L706-I710 HydrophobicContact CD1-CB 4.36Å; L706-I710 HydrophobicContact CD1-CG2 3.68Å; L706-I711 HydrophobicContact CD1-CG1 4.05Å; L706-I711 HydrophobicContact CD2-CD1 4.08Å; L706-I711 HydrophobicContact CD2-CG1 4.28Å; L706-I711 HydrophobicContact CG-CD1 4Å; L706-I711 HydrophobicContact CG-CG1 3.95Å; L706-F722 HydrophobicContact CD2-CE2 4.41Å; L706-F725 HydrophobicContact CD1-CZ 4.4Å; L706-F725 HydrophobicContact CD2-CE1 4.35Å; L706-V790 HydrophobicContact CD2-CG1 3.95Å; L706-R794 WeakPolarHBondContact O-CA 3.39Å
707	T	89.8	Confident	83.7	Confident	30 Å²	30	37.7 Å²	37.7	18%	0.184	23%	0.23	C	C	.	.			trans	-86.4	160.8	-177.4	59.1	0	0	0	0	111.3	K705 E709 I710 I711	K705-T707 VanDerWaalsContact CE-CG2 3.49Å; K705-T707 HydrophobicContact CG-CG2 4.16Å; T707-E709 PolarHBondContact O-N 3.15Å; T707-I710 PolarHBondContact O-N 3.45Å; T707-I710 VanDerWaalsContact O-N 3.11Å; T707-I710 WeakPolarHBondContact OG1-CG1 3.26Å; T707-I710 PolarHBondContact OG1-N 3.11Å; T707-I711 WeakPolarHBondContact O-CG1 3.28Å; T707-I711 PolarHBondContact O-N 3.23Å; T707-I711 VanDerWaalsContact O-N 3.11Å
708	D	88.6	Confident	85.2	Confident	75 Å²	75	42.5 Å²	42.5	40%	0.401	25%	0.251	S	S	.	.	H	α-helix	trans	-58.4	-32.4	175.2	-63.7	-51.2	0	0	0	111.6	I711 E712 R800	D708-I711 PolarHBondContact O-N 3.34Å; D708-E712 WeakPolarHBondContact O-CB 3.23Å; D708-E712 PolarHBondContact O-N 3.29Å; D708-R800 IonicContact OD2-NH2 3.09Å; D708-R800 PolarHBondContact OD2-NH2 2.74Å
709	E	88.2	Confident	86.8	Confident	53 Å²	53	41.1 Å²	41.1	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-42	174.6	-178.5	174.4	-153.3	0	0	113	T625 V626 T707 I711 E712 V713	T625-E709 WeakPolarHBondContact CA-OE1 3.41Å; T625-E709 WeakPolarHBondContact CB-OE1 3.43Å; V626-E709 HydrophobicContact CB-CG 4.08Å; V626-E709 HydrophobicContact CG2-CG 3.94Å; V626-E709 WeakPolarHBondContact CG2-OE1 3.47Å; V626-E709 PolarHBondContact N-OE1 3.21Å; T707-E709 PolarHBondContact O-N 3.15Å; E709-I711 VanDerWaalsContact C-N 3.29Å; E709-I711 PolarHBondContact O-N 3.29Å; E709-E712 WeakPolarHBondContact O-CB 3.41Å; E709-E712 PolarHBondContact O-N 2.89Å; E709-V713 PolarHBondContact O-N 3.49Å
710	I	93.1	Very high	88.5	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-39.7	174.1	-69.6	170.9	0	0	0	110.1	F649 L706 T707 E712 V713 M714	F649-I710 HydrophobicContact CE1-CG2 3.84Å; F649-I710 HydrophobicContact CZ-CB 4.43Å; F649-I710 HydrophobicContact CZ-CG1 4.44Å; F649-I710 HydrophobicContact CZ-CG2 3.93Å; L706-I710 HydrophobicContact CD1-CB 4.36Å; L706-I710 HydrophobicContact CD1-CG2 3.68Å; T707-I710 PolarHBondContact O-N 3.45Å; T707-I710 VanDerWaalsContact O-N 3.11Å; T707-I710 WeakPolarHBondContact OG1-CG1 3.26Å; T707-I710 PolarHBondContact OG1-N 3.11Å; I710-E712 VanDerWaalsContact C-N 3.35Å; I710-V713 PolarHBondContact O-N 2.9Å; I710-M714 HydrophobicContact CG2-CE 3.93Å
711	I	95.1	Very high	90.1	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-33.3	178.5	-63.1	174.2	0	0	0	111.4	L706 T707 D708 E709 V713 M714 G715 G716 P717 F722 R794	L706-I711 HydrophobicContact CD1-CG1 4.05Å; L706-I711 HydrophobicContact CD2-CD1 4.08Å; L706-I711 HydrophobicContact CD2-CG1 4.28Å; L706-I711 HydrophobicContact CG-CD1 4Å; L706-I711 HydrophobicContact CG-CG1 3.95Å; T707-I711 WeakPolarHBondContact O-CG1 3.28Å; T707-I711 PolarHBondContact O-N 3.23Å; T707-I711 VanDerWaalsContact O-N 3.11Å; D708-I711 PolarHBondContact O-N 3.34Å; E709-I711 VanDerWaalsContact C-N 3.29Å; E709-I711 PolarHBondContact O-N 3.29Å; I711-V713 VanDerWaalsContact C-N 3.32Å; I711-V713 PolarHBondContact O-N 3.22Å; I711-M714 CarbonylContact O-C 3.53Å; I711-M714 WeakPolarHBondContact O-CA 3.23Å; I711-M714 WeakPolarHBondContact O-CB 3.39Å; I711-M714 PolarHBondContact O-N 3.31Å; I711-M714 VanDerWaalsContact O-N 3.07Å; I711-G715 PolarHBondContact O-N 2.95Å; I711-G716 PolarHBondContact O-N 3.47Å; I711-P717 HydrophobicContact CG2-CB 4.43Å; I711-F722 HydrophobicContact CD1-CE2 4.09Å; I711-F722 HydrophobicContact CD1-CZ 4.45Å; I711-F722 HydrophobicContact CG1-CD2 4.47Å; I711-F722 HydrophobicContact CG1-CE2 3.92Å; I711-F722 HydrophobicContact CG2-CD2 4.05Å; I711-F722 HydrophobicContact CG2-CE2 4.11Å; I711-R794 HydrophobicContact CD1-CB 4.21Å; I711-R794 HydrophobicContact CD1-CG 3.47Å; I711-R794 VanDerWaalsContact CD1-CG 3.47Å
712	E	93.5	Very high	91.6	Very high	66 Å²	66	37.7 Å²	37.7	31%	0.308	21%	0.209	S	C	.	.	H	α-helix	trans	-60.3	-41.3	176.6	-156.8	-172.8	162.8	0	0	111.3	R614 L627 D708 E709 I710 M714 G715	R614-E712 IonicContact CZ-OE1 3.15Å; R614-E712 IonicContact NH2-OE1 3.03Å; R614-E712 PolarHBondContact NH2-OE1 3.49Å; L627-E712 HydrophobicContact CB-CG 4.37Å; L627-E712 HydrophobicContact CD2-CG 3.73Å; D708-E712 WeakPolarHBondContact O-CB 3.23Å; D708-E712 PolarHBondContact O-N 3.29Å; E709-E712 WeakPolarHBondContact O-CB 3.41Å; E709-E712 PolarHBondContact O-N 2.89Å; I710-E712 VanDerWaalsContact C-N 3.35Å; E712-M714 PolarHBondContact O-N 3.14Å; E712-G715 PolarHBondContact O-N 2.96Å
713	V	94.6	Very high	92.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-34.4	174.2	180	0	0	0	0	111.6	V626 L627 F630 Q646 F649 E709 I710 I711 G715	V626-V713 HydrophobicContact CB-CG2 3.84Å; V626-V713 HydrophobicContact CG1-CG2 3.59Å; L627-V713 HydrophobicContact CB-CG2 4.23Å; F630-V713 HydrophobicContact CD1-CG1 3.96Å; F630-V713 HydrophobicContact CD2-CG1 4.24Å; F630-V713 HydrophobicContact CE1-CG1 3.81Å; F630-V713 HydrophobicContact CE2-CG1 4.08Å; F630-V713 HydrophobicContact CG-CG1 4.18Å; F630-V713 HydrophobicContact CZ-CG1 3.89Å; Q646-V713 PolarHBondContact NE2-O 3.22Å; F649-V713 HydrophobicContact CB-CG1 4.48Å; F649-V713 HydrophobicContact CD1-CB 4.17Å; F649-V713 HydrophobicContact CD1-CG1 3.66Å; F649-V713 HydrophobicContact CD2-CG1 4.15Å; F649-V713 HydrophobicContact CE1-CB 3.78Å; F649-V713 HydrophobicContact CE1-CG1 3.77Å; F649-V713 HydrophobicContact CE1-CG2 4.43Å; F649-V713 HydrophobicContact CE2-CG1 4.23Å; F649-V713 HydrophobicContact CG-CG1 3.85Å; F649-V713 HydrophobicContact CZ-CB 4.02Å; F649-V713 HydrophobicContact CZ-CG1 4.05Å; F649-V713 HydrophobicContact CZ-CG2 4.16Å; E709-V713 PolarHBondContact O-N 3.49Å; I710-V713 PolarHBondContact O-N 2.9Å; I711-V713 VanDerWaalsContact C-N 3.32Å; I711-V713 PolarHBondContact O-N 3.22Å; V713-G715 PolarHBondContact O-N 3.5Å
714	M	96.1	Very high	93.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.8	175.7	-53.8	179.7	-178.6	0	0	113.2	F649 I650 C653 I710 I711 E712 S719 M721 F722 F725	F649-M714 HydrophobicContact CD1-CE 4.28Å; F649-M714 HydrophobicContact CD1-CG 4.41Å; F649-M714 HydrophobicContact CE1-CE 4.02Å; F649-M714 HydrophobicContact CE1-CG 4.36Å; I650-M714 HydrophobicContact CD1-CG 4.46Å; I650-M714 HydrophobicContact CG1-CB 4.44Å; I650-M714 HydrophobicContact CG1-CG 3.85Å; I650-M714 HydrophobicContact CG1-SD 4.39Å; C653-M714 HydrophobicContact CB-CE 3.83Å; C653-M714 WeakPolarHBondContact SG-CE 3.41Å; I710-M714 HydrophobicContact CG2-CE 3.93Å; I711-M714 CarbonylContact O-C 3.53Å; I711-M714 WeakPolarHBondContact O-CA 3.23Å; I711-M714 WeakPolarHBondContact O-CB 3.39Å; I711-M714 PolarHBondContact O-N 3.31Å; I711-M714 VanDerWaalsContact O-N 3.07Å; E712-M714 PolarHBondContact O-N 3.14Å; M714-S719 PolarHBondContact O-OG 3.39Å; M714-M721 VanDerWaalsContact O-CB 3.23Å; M714-M721 WeakPolarHBondContact O-CB 3.27Å; M714-F722 HydrophobicContact SD-CD2 3.94Å; M714-F725 HydrophobicContact CE-CD2 3.72Å; M714-F725 HydrophobicContact CE-CE2 3.99Å; M714-F725 HydrophobicContact CE-CG 4.1Å; M714-F725 HydrophobicContact SD-CB 4.01Å; M714-F725 HydrophobicContact SD-CD1 4.31Å; M714-F725 HydrophobicContact SD-CD2 4.16Å; M714-F725 HydrophobicContact SD-CG 3.91Å
715	G	93.5	Very high	93.9	Very high	51 Å²	51	40 Å²	40	53%	0.526	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	9.8	-178.7	0	0	0	0	0	115.1	I711 E712 V713 S719	I711-G715 PolarHBondContact O-N 2.95Å; E712-G715 PolarHBondContact O-N 2.96Å; V713-G715 PolarHBondContact O-N 3.5Å; G715-S719 WeakPolarHBondContact O-CB 3.05Å
716	G	94.2	Very high	94.2	Very high	15 Å²	15	41.7 Å²	41.7	16%	0.155	23%	0.227	C	C	.	.			trans	95.7	166.7	177.5	0	0	0	0	0	114.7	I711 Q718 S719 F722	I711-G716 PolarHBondContact O-N 3.47Å; G716-Q718 PolarHBondContact O-N 3.14Å; G716-Q718 VanDerWaalsContact O-N 3.12Å; G716-S719 WeakPolarHBondContact O-CB 3.49Å; G716-S719 PolarHBondContact O-N 3.22Å; G716-S719 VanDerWaalsContact O-N 3.09Å; G716-S719 PolarHBondContact O-OG 3.18Å; G716-F722 VanDerWaalsContact O-CB 3.24Å; G716-F722 WeakPolarHBondContact O-CB 3.48Å
717	P	93.4	Very high	94.5	Very high	64 Å²	64	43.9 Å²	43.9	42%	0.416	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.3	-171	27.1	-35.9	0	0	0	115	I711 F722	I711-P717 HydrophobicContact CG2-CB 4.43Å; P717-F722 HydrophobicContact CB-CD1 4.46Å; P717-F722 HydrophobicContact CB-CE1 4.35Å; P717-F722 VanDerWaalsContact O-CD1 3.23Å; P717-F722 WeakPolarHBondContact O-CD1 3.44Å
718	Q	93.4	Very high	94.9	Very high	177 Å²	177	42.5 Å²	42.5	83%	0.827	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	3.4	178	-60.2	-62.3	-18.2	0	0	112.6	G716	G716-Q718 PolarHBondContact O-N 3.14Å; G716-Q718 VanDerWaalsContact O-N 3.12Å
719	S	95	Very high	95.3	Very high	22 Å²	22	38.9 Å²	38.9	15%	0.154	21%	0.21	C	C	.	.	S	Bend	trans	-76.8	153.3	-178.3	78.3	0	0	0	0	112	M714 G715 G716 M721 F722 N723	M714-S719 PolarHBondContact O-OG 3.39Å; G715-S719 WeakPolarHBondContact O-CB 3.05Å; G716-S719 WeakPolarHBondContact O-CB 3.49Å; G716-S719 PolarHBondContact O-N 3.22Å; G716-S719 VanDerWaalsContact O-N 3.09Å; G716-S719 PolarHBondContact O-OG 3.18Å; S719-M721 PolarHBondContact O-N 2.93Å; S719-M721 PolarHBondContact OG-N 3.47Å; S719-F722 PolarHBondContact O-N 3.43Å; S719-F722 WeakPolarHBondContact OG-CB 3.12Å; S719-F722 PolarHBondContact OG-N 3Å; S719-N723 PolarHBondContact O-N 2.95Å; S719-N723 VanDerWaalsContact O-N 3.16Å
720	E	95.2	Very high	95.8	Very high	146 Å²	146	37.6 Å²	37.6	68%	0.682	21%	0.205	S	C	*	.	H	α-helix	trans	-59.6	-35.6	170.6	-65.4	-175.7	170.2	0	0	111.6	N723 Y724	E720-N723 CarbonylContact O-C 3.57Å; E720-N723 WeakPolarHBondContact O-CB 3.37Å; E720-N723 PolarHBondContact O-N 3.37Å; E720-Y724 WeakPolarHBondContact O-CB 3.45Å; E720-Y724 PolarHBondContact O-N 2.94Å
721	M	95.6	Very high	96	Very high	37 Å²	37	40 Å²	40	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-68.2	-35.1	179.3	-72.6	-58.7	164.7	0	0	112.9	L29 I650 M714 S719 Y724 F725	L29-M721 HydrophobicContact CD1-CE 3.92Å; I650-M721 HydrophobicContact CD1-CB 3.71Å; I650-M721 HydrophobicContact CD1-CG 4.22Å; I650-M721 HydrophobicContact CD1-SD 4.02Å; M714-M721 VanDerWaalsContact O-CB 3.23Å; M714-M721 WeakPolarHBondContact O-CB 3.27Å; S719-M721 PolarHBondContact O-N 2.93Å; S719-M721 PolarHBondContact OG-N 3.47Å; M721-Y724 PolarHBondContact O-N 3.36Å; M721-F725 PolarHBondContact O-N 2.94Å
722	F	97	Very high	96.2	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-70.7	-35.4	171.9	-175.4	-104.4	0	0	0	112	L706 I711 M714 G716 P717 S719 F725 K726 V790	L706-F722 HydrophobicContact CD2-CE2 4.41Å; I711-F722 HydrophobicContact CD1-CE2 4.09Å; I711-F722 HydrophobicContact CD1-CZ 4.45Å; I711-F722 HydrophobicContact CG1-CD2 4.47Å; I711-F722 HydrophobicContact CG1-CE2 3.92Å; I711-F722 HydrophobicContact CG2-CD2 4.05Å; I711-F722 HydrophobicContact CG2-CE2 4.11Å; M714-F722 HydrophobicContact SD-CD2 3.94Å; G716-F722 VanDerWaalsContact O-CB 3.24Å; G716-F722 WeakPolarHBondContact O-CB 3.48Å; P717-F722 HydrophobicContact CB-CD1 4.46Å; P717-F722 HydrophobicContact CB-CE1 4.35Å; P717-F722 VanDerWaalsContact O-CD1 3.23Å; P717-F722 WeakPolarHBondContact O-CD1 3.44Å; S719-F722 PolarHBondContact O-N 3.43Å; S719-F722 WeakPolarHBondContact OG-CB 3.12Å; S719-F722 PolarHBondContact OG-N 3Å; F722-F725 HydrophobicContact CD2-CD1 4.34Å; F722-F725 HydrophobicContact CE2-CD1 4.23Å; F722-F725 HydrophobicContact CE2-CE1 4.5Å; F722-F725 WeakPolarHBondContact O-CB 3.37Å; F722-F725 PolarHBondContact O-N 3.49Å; F722-K726 HydrophobicContact CE1-CD 4.22Å; F722-K726 PolarHBondContact O-N 3.37Å; F722-V790 HydrophobicContact CE1-CG1 4.25Å; F722-V790 HydrophobicContact CE2-CG1 4.28Å; F722-V790 HydrophobicContact CZ-CG1 3.5Å
723	N	96.8	Very high	96.4	Very high	68 Å²	68	36.7 Å²	36.7	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-40.3	170.6	-73.7	-36.6	0	0	0	111.8	S719 E720 F725 K726 I727	S719-N723 PolarHBondContact O-N 2.95Å; S719-N723 VanDerWaalsContact O-N 3.16Å; E720-N723 CarbonylContact O-C 3.57Å; E720-N723 WeakPolarHBondContact O-CB 3.37Å; E720-N723 PolarHBondContact O-N 3.37Å; N723-F725 VanDerWaalsContact C-N 3.34Å; N723-F725 PolarHBondContact O-N 3.47Å; N723-K726 WeakPolarHBondContact O-CB 3.41Å; N723-K726 PolarHBondContact O-N 3.36Å; N723-K726 VanDerWaalsContact O-N 3.14Å; N723-K726 WeakPolarHBondContact OD1-CE 3.33Å; N723-K726 PolarHBondContact OD1-NZ 3.39Å; N723-I727 WeakPolarHBondContact O-CG1 3.26Å; N723-I727 PolarHBondContact O-N 3.29Å
724	Y	97.4	Very high	96.5	Very high	11 Å²	11	38.1 Å²	38.1	4%	0.043	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-41	174	177.8	-120.2	0	0	0	112	A32 N647 I650 E720 M721 K726 I727 L728	A32-Y724 HydrophobicContact CB-CE2 4.21Å; N647-Y724 WeakPolarHBondContact OD1-CE1 3.45Å; I650-Y724 HydrophobicContact CG2-CD1 3.9Å; I650-Y724 HydrophobicContact CG2-CE1 4.23Å; E720-Y724 WeakPolarHBondContact O-CB 3.45Å; E720-Y724 PolarHBondContact O-N 2.94Å; M721-Y724 PolarHBondContact O-N 3.36Å; Y724-K726 VanDerWaalsContact C-N 3.33Å; Y724-K726 PolarHBondContact O-N 3.05Å; Y724-I727 PolarHBondContact O-N 3.17Å; Y724-L728 HydrophobicContact CD1-CD1 4.21Å; Y724-L728 HydrophobicContact CD2-CG 4.34Å; Y724-L728 HydrophobicContact CE1-CD1 3.7Å; Y724-L728 HydrophobicContact CE1-CG 4.21Å; Y724-L728 HydrophobicContact CE2-CD1 4.33Å; Y724-L728 HydrophobicContact CE2-CD2 3.93Å; Y724-L728 HydrophobicContact CE2-CG 3.96Å; Y724-L728 WeakPolarHBondContact O-CG 3.3Å; Y724-L728 PolarHBondContact O-N 2.9Å
725	F	98.1	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-53.3	-47.7	170.2	163.7	-100.3	0	0	0	112.2	I650 C653 A654 L706 M714 M721 F722 N723 I727 L728 M729 V790	I650-F725 HydrophobicContact CG2-CB 3.85Å; C653-F725 HydrophobicContact CB-CE2 4.21Å; A654-F725 HydrophobicContact CB-CD2 3.81Å; A654-F725 HydrophobicContact CB-CE2 3.91Å; L706-F725 HydrophobicContact CD1-CZ 4.4Å; L706-F725 HydrophobicContact CD2-CE1 4.35Å; M714-F725 HydrophobicContact CE-CD2 3.72Å; M714-F725 HydrophobicContact CE-CE2 3.99Å; M714-F725 HydrophobicContact CE-CG 4.1Å; M714-F725 HydrophobicContact SD-CB 4.01Å; M714-F725 HydrophobicContact SD-CD1 4.31Å; M714-F725 HydrophobicContact SD-CD2 4.16Å; M714-F725 HydrophobicContact SD-CG 3.91Å; M721-F725 PolarHBondContact O-N 2.94Å; F722-F725 HydrophobicContact CD2-CD1 4.34Å; F722-F725 HydrophobicContact CE2-CD1 4.23Å; F722-F725 HydrophobicContact CE2-CE1 4.5Å; F722-F725 WeakPolarHBondContact O-CB 3.37Å; F722-F725 PolarHBondContact O-N 3.49Å; N723-F725 VanDerWaalsContact C-N 3.34Å; N723-F725 PolarHBondContact O-N 3.47Å; F725-I727 PolarHBondContact O-N 2.92Å; F725-L728 PolarHBondContact O-N 3.49Å; F725-M729 HydrophobicContact CD1-SD 4.34Å; F725-M729 HydrophobicContact CE1-CG 4.42Å; F725-M729 HydrophobicContact CE1-SD 3.52Å; F725-M729 VanDerWaalsContact CE1-SD 3.52Å; F725-M729 HydrophobicContact CE2-CG 4.16Å; F725-M729 HydrophobicContact CE2-SD 3.95Å; F725-M729 HydrophobicContact CZ-CG 4.09Å; F725-M729 HydrophobicContact CZ-SD 3.29Å; F725-M729 WeakPolarHBondContact CZ-SD 3.5Å; F725-M729 WeakPolarHBondContact O-CG 3.25Å; F725-M729 PolarHBondContact O-N 3.39Å; F725-V790 HydrophobicContact CE1-CG2 4Å
726	K	97.8	Very high	96.8	Very high	42 Å²	42	35.8 Å²	35.8	18%	0.183	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-41.2	177	-67.7	-176.5	-70.7	170.4	0	112.4	F722 N723 Y724 L728 M729 L730 I786 D787 V790	F722-K726 HydrophobicContact CE1-CD 4.22Å; F722-K726 PolarHBondContact O-N 3.37Å; N723-K726 WeakPolarHBondContact O-CB 3.41Å; N723-K726 PolarHBondContact O-N 3.36Å; N723-K726 VanDerWaalsContact O-N 3.14Å; N723-K726 WeakPolarHBondContact OD1-CE 3.33Å; N723-K726 PolarHBondContact OD1-NZ 3.39Å; Y724-K726 VanDerWaalsContact C-N 3.33Å; Y724-K726 PolarHBondContact O-N 3.05Å; K726-L728 PolarHBondContact O-N 2.92Å; K726-M729 PolarHBondContact O-N 3.17Å; K726-L730 PolarHBondContact O-N 2.85Å; K726-I786 HydrophobicContact CB-CG2 4.28Å; K726-D787 IonicContact NZ-OD1 2.66Å; K726-V790 HydrophobicContact CD-CG1 4.47Å; K726-V790 HydrophobicContact CG-CG2 4.28Å
727	I	97.4	Very high	97	Very high	49 Å²	49	36.7 Å²	36.7	25%	0.251	18%	0.182	S	C	.	.	H	α-helix	trans	-60.3	-45.4	175.4	-67.9	167.3	0	0	0	110.5	N723 Y724 F725 M729 L730 Q731	N723-I727 WeakPolarHBondContact O-CG1 3.26Å; N723-I727 PolarHBondContact O-N 3.29Å; Y724-I727 PolarHBondContact O-N 3.17Å; F725-I727 PolarHBondContact O-N 2.92Å; I727-M729 PolarHBondContact O-N 3.31Å; I727-L730 PolarHBondContact O-N 3.45Å; I727-Q731 HydrophobicContact CG2-CG 4.33Å; I727-Q731 WeakPolarHBondContact O-CG 3.47Å; I727-Q731 PolarHBondContact O-N 2.83Å
728	L	98.4	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-40.5	177	-71.4	-177.7	0	0	0	112.3	P571 L572 I650 R651 A654 Y724 F725 K726 L730 G732	P571-L728 HydrophobicContact CG-CD2 3.64Å; L572-L728 HydrophobicContact CD2-CB 4Å; L572-L728 HydrophobicContact CD2-CD1 4.43Å; I650-L728 HydrophobicContact CG2-CD1 3.9Å; R651-L728 HydrophobicContact CG-CD1 3.96Å; A654-L728 HydrophobicContact CB-CB 3.96Å; Y724-L728 HydrophobicContact CD1-CD1 4.21Å; Y724-L728 HydrophobicContact CD2-CG 4.34Å; Y724-L728 HydrophobicContact CE1-CD1 3.7Å; Y724-L728 HydrophobicContact CE1-CG 4.21Å; Y724-L728 HydrophobicContact CE2-CD1 4.33Å; Y724-L728 HydrophobicContact CE2-CD2 3.93Å; Y724-L728 HydrophobicContact CE2-CG 3.96Å; Y724-L728 WeakPolarHBondContact O-CG 3.3Å; Y724-L728 PolarHBondContact O-N 2.9Å; F725-L728 PolarHBondContact O-N 3.49Å; K726-L728 PolarHBondContact O-N 2.92Å; L728-L730 VanDerWaalsContact C-N 3.35Å; L728-G732 PolarHBondContact O-N 3.02Å
729	M	98.2	Very high	97.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-43	174.3	-69.9	-172.1	65.2	0	0	111.7	A654 C657 L658 F704 F725 K726 I727 G732 L733 I786 V790	A654-M729 HydrophobicContact CB-CG 3.79Å; C657-M729 HydrophobicContact CB-CE 3.86Å; C657-M729 HydrophobicContact CB-SD 4.2Å; L658-M729 HydrophobicContact CD2-CB 4.43Å; L658-M729 HydrophobicContact CD2-CE 4.25Å; F704-M729 HydrophobicContact CE1-CE 3.64Å; F704-M729 HydrophobicContact CZ-CE 3.77Å; F704-M729 HydrophobicContact CZ-SD 4.31Å; F725-M729 HydrophobicContact CD1-SD 4.34Å; F725-M729 HydrophobicContact CE1-CG 4.42Å; F725-M729 HydrophobicContact CE1-SD 3.52Å; F725-M729 VanDerWaalsContact CE1-SD 3.52Å; F725-M729 HydrophobicContact CE2-CG 4.16Å; F725-M729 HydrophobicContact CE2-SD 3.95Å; F725-M729 HydrophobicContact CZ-CG 4.09Å; F725-M729 HydrophobicContact CZ-SD 3.29Å; F725-M729 WeakPolarHBondContact CZ-SD 3.5Å; F725-M729 WeakPolarHBondContact O-CG 3.25Å; F725-M729 PolarHBondContact O-N 3.39Å; K726-M729 PolarHBondContact O-N 3.17Å; I727-M729 PolarHBondContact O-N 3.31Å; M729-G732 PolarHBondContact O-N 2.8Å; M729-L733 WeakPolarHBondContact O-CB 3.23Å; M729-L733 PolarHBondContact O-N 3.02Å; M729-I786 HydrophobicContact CB-CD1 3.9Å; M729-I786 HydrophobicContact CB-CG2 4.12Å; M729-I786 HydrophobicContact CE-CD1 4.34Å; M729-V790 HydrophobicContact CE-CG2 4.48Å; M729-V790 HydrophobicContact SD-CG2 3.86Å
730	L	98	Very high	97.3	Very high	26 Å²	26	33.4 Å²	33.4	14%	0.136	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-51	177	179.3	59.9	0	0	0	111.5	K726 I727 L728 G732 L733 I734 L782 H783 I786	K726-L730 PolarHBondContact O-N 2.85Å; I727-L730 PolarHBondContact O-N 3.45Å; L728-L730 VanDerWaalsContact C-N 3.35Å; L730-G732 VanDerWaalsContact C-N 3.32Å; L730-G732 PolarHBondContact O-N 3.48Å; L730-L733 PolarHBondContact O-N 2.76Å; L730-I734 HydrophobicContact CD1-CD1 3.92Å; L730-I734 HydrophobicContact CD1-CG1 4.27Å; L730-I734 HydrophobicContact CG-CD1 3.93Å; L730-I734 WeakPolarHBondContact O-CG1 3.16Å; L730-I734 PolarHBondContact O-N 2.84Å; L730-L782 HydrophobicContact CD1-CB 3.74Å; L730-H783 HydrophobicContact CD2-CB 4.08Å; L730-I786 HydrophobicContact CB-CG1 4.13Å; L730-I786 HydrophobicContact CD1-CG1 4.14Å
731	Q	98.1	Very high	97.2	Very high	54 Å²	54	29.2 Å²	29.2	25%	0.252	14%	0.137	S	C	.	.	H	α-helix	trans	-58.7	-44.6	177.6	-71.9	178.6	-15.5	0	0	111.5	V570 I727 I734 A735	V570-Q731 HydrophobicContact CG1-CB 3.91Å; V570-Q731 HydrophobicContact CG2-CB 4.27Å; I727-Q731 HydrophobicContact CG2-CG 4.33Å; I727-Q731 WeakPolarHBondContact O-CG 3.47Å; I727-Q731 PolarHBondContact O-N 2.83Å; Q731-I734 PolarHBondContact O-N 3.42Å; Q731-A735 WeakPolarHBondContact O-CB 3.27Å; Q731-A735 PolarHBondContact O-N 3.3Å
732	G	98.4	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-39.5	177.7	0	0	0	0	0	113.3	W565 L728 M729 L730 A736	W565-G732 PolarHBondContact NE1-O 2.99Å; L728-G732 PolarHBondContact O-N 3.02Å; M729-G732 PolarHBondContact O-N 2.8Å; L730-G732 VanDerWaalsContact C-N 3.32Å; L730-G732 PolarHBondContact O-N 3.48Å; G732-A736 WeakPolarHBondContact O-CB 3.48Å; G732-A736 PolarHBondContact O-N 3.03Å
733	L	98.1	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.1	-40.8	176.6	-175.9	59	0	0	0	111.6	L658 L662 M729 L730 A735 A736 R737 L782 L785 I786	L658-L733 HydrophobicContact CD2-CB 3.91Å; L658-L733 HydrophobicContact CD2-CD1 4.47Å; L662-L733 HydrophobicContact CD2-CD1 4.35Å; M729-L733 WeakPolarHBondContact O-CB 3.23Å; M729-L733 PolarHBondContact O-N 3.02Å; L730-L733 PolarHBondContact O-N 2.76Å; L733-A735 VanDerWaalsContact C-N 3.34Å; L733-A736 PolarHBondContact O-N 3.41Å; L733-R737 VanDerWaalsContact O-CB 3.25Å; L733-R737 WeakPolarHBondContact O-CB 3.21Å; L733-R737 PolarHBondContact O-N 2.88Å; L733-L782 HydrophobicContact CD2-CD2 4.14Å; L733-L785 HydrophobicContact CD2-CD2 4.2Å; L733-I786 HydrophobicContact CB-CD1 4.48Å; L733-I786 HydrophobicContact CD2-CD1 3.96Å
734	I	97.4	Very high	97.1	Very high	30 Å²	30	25.3 Å²	25.3	15%	0.154	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-45.3	174.4	-70.2	168.2	0	0	0	110.3	L730 Q731 R737 K738 L782	L730-I734 HydrophobicContact CD1-CD1 3.92Å; L730-I734 HydrophobicContact CD1-CG1 4.27Å; L730-I734 HydrophobicContact CG-CD1 3.93Å; L730-I734 WeakPolarHBondContact O-CG1 3.16Å; L730-I734 PolarHBondContact O-N 2.84Å; Q731-I734 PolarHBondContact O-N 3.42Å; I734-R737 WeakPolarHBondContact O-CB 3.36Å; I734-R737 PolarHBondContact O-N 3.47Å; I734-K738 WeakPolarHBondContact O-CG 3.25Å; I734-K738 PolarHBondContact O-N 3Å; I734-L782 HydrophobicContact CG1-CD1 3.79Å
735	A	97.9	Very high	97.1	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-48.5	175.5	0	0	0	0	0	111.6	I564 E568 V570 Q731 L733 R737 K738 H739	I564-A735 HydrophobicContact CG2-CB 4.18Å; I564-A735 WeakPolarHBondContact CG2-O 3.48Å; E568-A735 HydrophobicContact CB-CB 3.77Å; E568-A735 HydrophobicContact CG-CB 3.75Å; V570-A735 HydrophobicContact CG2-CB 3.96Å; Q731-A735 WeakPolarHBondContact O-CB 3.27Å; Q731-A735 PolarHBondContact O-N 3.3Å; L733-A735 VanDerWaalsContact C-N 3.34Å; A735-R737 VanDerWaalsContact C-N 3.3Å; A735-R737 PolarHBondContact O-N 3.08Å; A735-K738 PolarHBondContact O-N 3.31Å; A735-H739 PolarHBondContact O-CD2 2.97Å; A735-H739 PolarHBondContact O-N 3.35Å
736	A	97.9	Very high	97	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-38.7	176.8	0	0	0	0	0	112	L561 L662 G732 L733 H739 H740 F773	L561-A736 HydrophobicContact CD2-CB 4.01Å; L662-A736 HydrophobicContact CD1-CB 4.22Å; G732-A736 WeakPolarHBondContact O-CB 3.48Å; G732-A736 PolarHBondContact O-N 3.03Å; L733-A736 PolarHBondContact O-N 3.41Å; A736-H739 CarbonylContact O-C 3.45Å; A736-H739 PolarHBondContact O-N 3.31Å; A736-H740 WeakPolarHBondContact O-CA 3.5Å; A736-H740 PolarHBondContact O-N 3.42Å; A736-F773 HydrophobicContact CB-CD1 4.39Å; A736-F773 HydrophobicContact CB-CE1 4Å
737	R	97.2	Very high	97	Very high	33 Å²	33	23.1 Å²	23.1	13%	0.125	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.6	-179	-176.8	67.1	169.4	-3.8	112.3	L733 I734 A735 H739 H740 F773 V775 C777 D779	L733-R737 VanDerWaalsContact O-CB 3.25Å; L733-R737 WeakPolarHBondContact O-CB 3.21Å; L733-R737 PolarHBondContact O-N 2.88Å; I734-R737 WeakPolarHBondContact O-CB 3.36Å; I734-R737 PolarHBondContact O-N 3.47Å; A735-R737 VanDerWaalsContact C-N 3.3Å; A735-R737 PolarHBondContact O-N 3.08Å; R737-H739 PolarHBondContact O-N 2.94Å; R737-H740 PolarHBondContact O-N 3Å; R737-H740 PolarHBondContact O-ND1 2.89Å; R737-F773 WeakPolarHBondContact CD-O 3.34Å; R737-F773 WeakPolarHBondContact CG-O 3.24Å; R737-V775 HydrophobicContact CG-CG2 4.46Å; R737-C777 PolarHBondContact NH1-O 3.46Å; R737-D779 IonicContact CZ-OD1 3.74Å; R737-D779 IonicContact NH1-OD1 3.76Å; R737-D779 IonicContact NH2-OD1 3.5Å; R737-D779 PolarHBondContact NH2-OD1 3.4Å
738	K	95.8	Very high	96.9	Very high	126 Å²	126	22.9 Å²	22.9	55%	0.548	10%	0.104	S	C	.	.	H	α-helix	trans	-58	-33.3	176.7	-74.6	170.1	173.3	174.7	0	112.5	E568 I734 A735	E568-K738 WeakPolarHBondContact OE2-CD 3.16Å; E568-K738 IonicContact OE2-NZ 3.84Å; E568-K738 PolarHBondContact OE2-NZ 2.83Å; I734-K738 WeakPolarHBondContact O-CG 3.25Å; I734-K738 PolarHBondContact O-N 3Å; A735-K738 PolarHBondContact O-N 3.31Å
739	H	95.8	Very high	96.7	Very high	44 Å²	44	22.9 Å²	22.9	20%	0.204	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	18.5	-172.6	-65	-81.6	0	0	0	113.8	I564 E568 A735 A736 R737 E741 R742	I564-H739 HydrophobicContact CB-CB 4.5Å; I564-H739 HydrophobicContact CD1-CB 3.63Å; I564-H739 HydrophobicContact CG1-CB 3.66Å; I564-H739 HydrophobicContact CG2-CB 4.01Å; E568-H739 IonicContact OE1-CD2 3.51Å; E568-H739 IonicContact OE1-CE1 2.69Å; E568-H739 IonicContact OE1-NE2 2.94Å; E568-H739 PolarHBondContact OE1-NE2 3.5Å; A735-H739 PolarHBondContact O-CD2 2.97Å; A735-H739 PolarHBondContact O-N 3.35Å; A736-H739 CarbonylContact O-C 3.45Å; A736-H739 PolarHBondContact O-N 3.31Å; R737-H739 PolarHBondContact O-N 2.94Å; H739-E741 VanDerWaalsContact C-N 3.27Å; H739-E741 PolarHBondContact O-N 3.14Å; H739-E741 VanDerWaalsContact O-N 3.17Å; H739-R742 WeakPolarHBondContact O-CB 3.29Å; H739-R742 PolarHBondContact O-N 3.5Å
740	H	96	Very high	96.6	Very high	24 Å²	24	23.1 Å²	23.1	11%	0.111	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-32.9	-169.5	67.4	-79.1	0	0	0	114.2	A736 R737 R742 I743 L744 F773	A736-H740 WeakPolarHBondContact O-CA 3.5Å; A736-H740 PolarHBondContact O-N 3.42Å; R737-H740 PolarHBondContact O-N 3Å; R737-H740 PolarHBondContact O-ND1 2.89Å; H740-R742 PolarHBondContact O-N 2.99Å; H740-I743 PolarHBondContact O-N 2.78Å; H740-L744 PolarHBondContact O-N 3.45Å; H740-F773 HydrophobicContact CB-CB 4.1Å; H740-F773 HydrophobicContact CB-CD1 3.5Å; H740-F773 HydrophobicContact CB-CD2 3.92Å; H740-F773 HydrophobicContact CB-CE1 3.77Å; H740-F773 HydrophobicContact CB-CE2 4.18Å; H740-F773 HydrophobicContact CB-CG 3.57Å; H740-F773 HydrophobicContact CB-CZ 4.11Å
741	E	94.5	Very high	96.4	Very high	59 Å²	59	23.3 Å²	23.3	28%	0.276	11%	0.106	S	C	.	.	H	α-helix	trans	-58.4	-30	177.6	-72.5	-62.2	142.6	0	0	112.9	H739 I743 L744 T745 R770	H739-E741 VanDerWaalsContact C-N 3.27Å; H739-E741 PolarHBondContact O-N 3.14Å; H739-E741 VanDerWaalsContact O-N 3.17Å; E741-I743 VanDerWaalsContact C-N 3.33Å; E741-I743 PolarHBondContact O-N 3.13Å; E741-L744 PolarHBondContact O-N 2.69Å; E741-T745 VanDerWaalsContact O-CB 3.29Å; E741-T745 WeakPolarHBondContact O-CB 3.3Å; E741-T745 PolarHBondContact O-N 2.67Å; E741-T745 PolarHBondContact O-OG1 2.68Å; E741-R770 IonicContact OE1-CZ 3.56Å; E741-R770 IonicContact OE1-NH1 2.83Å; E741-R770 PolarHBondContact OE1-NH1 2.92Å; E741-R770 IonicContact OE1-NH2 2.6Å; E741-R770 PolarHBondContact OE1-NH2 3.09Å; E741-R770 IonicContact OE2-NH2 3.23Å
742	R	94.2	Very high	95.9	Very high	30 Å²	30	22 Å²	22	11%	0.113	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-42.7	175	-63.1	178.3	60.7	170	3.9	111.6	R115 E563 H739 H740	R115-R742 VanDerWaalsContact CD-CZ 3.49Å; E563-R742 IonicContact OE1-CZ 2.69Å; E563-R742 IonicContact OE1-NH1 2.72Å; E563-R742 PolarHBondContact OE1-NH1 2.64Å; E563-R742 VanDerWaalsContact OE1-NH1 3.14Å; E563-R742 IonicContact OE1-NH2 2.62Å; E563-R742 PolarHBondContact OE1-NH2 2.64Å; E563-R742 IonicContact OE2-CZ 3.91Å; E563-R742 IonicContact OE2-NH2 2.73Å; E563-R742 PolarHBondContact OE2-NH2 2.66Å; H739-R742 WeakPolarHBondContact O-CB 3.29Å; H739-R742 PolarHBondContact O-N 3.5Å; H740-R742 PolarHBondContact O-N 2.99Å
743	I	96.7	Very high	95.2	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-75	-45.6	-179.9	-67.5	167.2	0	0	0	109.9	I557 Q560 L561 I564 H740 E741 T745 I746 V747 F773	I557-I743 HydrophobicContact CD1-CB 4.47Å; I557-I743 HydrophobicContact CD1-CG2 3.93Å; I557-I743 HydrophobicContact CG2-CG1 4.48Å; I557-I743 HydrophobicContact CG2-CG2 4.17Å; Q560-I743 HydrophobicContact CB-CG1 4.38Å; L561-I743 HydrophobicContact CD2-CD1 3.5Å; L561-I743 HydrophobicContact CG-CD1 3.88Å; I564-I743 HydrophobicContact CD1-CD1 4.19Å; I564-I743 HydrophobicContact CD1-CG1 4.46Å; H740-I743 PolarHBondContact O-N 2.78Å; E741-I743 VanDerWaalsContact C-N 3.33Å; E741-I743 PolarHBondContact O-N 3.13Å; I743-T745 PolarHBondContact O-N 2.74Å; I743-I746 PolarHBondContact O-N 3.24Å; I743-V747 WeakPolarHBondContact O-CG2 3.43Å; I743-V747 PolarHBondContact O-N 3.41Å; I743-F773 HydrophobicContact CB-CZ 4.07Å; I743-F773 HydrophobicContact CD1-CE1 4.04Å; I743-F773 HydrophobicContact CD1-CZ 3.75Å; I743-F773 HydrophobicContact CG2-CE2 4.39Å; I743-F773 HydrophobicContact CG2-CZ 3.96Å
744	L	96.8	Very high	94.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-44.7	179.3	-69.5	-179.7	0	0	0	111.9	H740 E741 I746 V747 E748 L769 R770	H740-L744 PolarHBondContact O-N 3.45Å; E741-L744 PolarHBondContact O-N 2.69Å; L744-I746 VanDerWaalsContact C-N 3.32Å; L744-I746 PolarHBondContact O-N 3.37Å; L744-V747 PolarHBondContact O-N 2.83Å; L744-V747 VanDerWaalsContact O-N 3.1Å; L744-E748 WeakPolarHBondContact O-CB 3.45Å; L744-E748 VanDerWaalsContact O-CG 3.3Å; L744-E748 WeakPolarHBondContact O-CG 3.41Å; L744-E748 PolarHBondContact O-N 3.13Å; L744-L769 HydrophobicContact CD2-CB 4.15Å; L744-L769 HydrophobicContact CD2-CD2 3.68Å; L744-L769 HydrophobicContact CD2-CG 3.63Å; L744-R770 HydrophobicContact CD1-CB 4Å; L744-R770 HydrophobicContact CD1-CG 4.06Å; L744-R770 VanDerWaalsContact CD1-NH2 3.33Å; L744-R770 HydrophobicContact CD2-CB 4.28Å
745	T	95.7	Very high	94.2	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-56.2	-44.7	179.1	-60.9	0	0	0	0	112	I118 Q119 E741 I743 V747 I749	I118-T745 HydrophobicContact CG2-CG2 4.1Å; Q119-T745 HydrophobicContact CB-CG2 4.05Å; Q119-T745 HydrophobicContact CG-CG2 4.42Å; E741-T745 VanDerWaalsContact O-CB 3.29Å; E741-T745 WeakPolarHBondContact O-CB 3.3Å; E741-T745 PolarHBondContact O-N 2.67Å; E741-T745 PolarHBondContact O-OG1 2.68Å; I743-T745 PolarHBondContact O-N 2.74Å; T745-V747 PolarHBondContact O-N 3.17Å; T745-I749 HydrophobicContact CG2-CD1 3.79Å; T745-I749 WeakPolarHBondContact O-CD1 3.42Å; T745-I749 VanDerWaalsContact O-CG1 3.27Å; T745-I749 WeakPolarHBondContact O-CG1 3.39Å; T745-I749 PolarHBondContact O-N 3.21Å; T745-I749 VanDerWaalsContact O-N 3.09Å
746	I	97.1	Very high	93.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-46.5	177.3	-70.5	177.8	0	0	0	111	F162 Y163 L553 Q556 I557 Q560 I743 L744 M750	F162-I746 HydrophobicContact CE1-CD1 4.2Å; Y163-I746 HydrophobicContact CE1-CD1 4.15Å; Y163-I746 HydrophobicContact CE1-CG1 3.98Å; L553-I746 HydrophobicContact CD1-CG2 3.72Å; Q556-I746 HydrophobicContact CB-CG2 4.46Å; I557-I746 HydrophobicContact CD1-CB 3.93Å; I557-I746 HydrophobicContact CD1-CD1 4.18Å; I557-I746 HydrophobicContact CD1-CG2 3.68Å; Q560-I746 HydrophobicContact CG-CD1 3.46Å; Q560-I746 VanDerWaalsContact CG-CD1 3.46Å; I743-I746 PolarHBondContact O-N 3.24Å; L744-I746 VanDerWaalsContact C-N 3.32Å; L744-I746 PolarHBondContact O-N 3.37Å; I746-M750 WeakPolarHBondContact O-CB 3.09Å; I746-M750 WeakPolarHBondContact O-CG 3.5Å; I746-M750 PolarHBondContact O-N 3.05Å
747	V	97	Very high	93.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-71.3	-40.2	-177.2	-175.9	0	0	0	0	111.3	L553 I557 L690 I743 L744 T745 M750 L751 F759 I766 L769	L553-V747 HydrophobicContact CD1-CG2 4.42Å; I557-V747 HydrophobicContact CD1-CG2 4.15Å; I557-V747 HydrophobicContact CG1-CG2 4.49Å; L690-V747 HydrophobicContact CD1-CG1 3.93Å; I743-V747 WeakPolarHBondContact O-CG2 3.43Å; I743-V747 PolarHBondContact O-N 3.41Å; L744-V747 PolarHBondContact O-N 2.83Å; L744-V747 VanDerWaalsContact O-N 3.1Å; T745-V747 PolarHBondContact O-N 3.17Å; V747-M750 PolarHBondContact O-N 2.95Å; V747-L751 WeakPolarHBondContact O-CB 3.34Å; V747-L751 PolarHBondContact O-N 3.2Å; V747-F759 HydrophobicContact CG1-CE1 3.69Å; V747-F759 HydrophobicContact CG1-CZ 4.21Å; V747-I766 HydrophobicContact CB-CD1 4.08Å; V747-I766 HydrophobicContact CG1-CD1 3.59Å; V747-L769 HydrophobicContact CB-CD2 4.04Å; V747-L769 HydrophobicContact CG1-CD2 4.03Å; V747-L769 HydrophobicContact CG2-CD2 3.8Å
748	E	95.4	Very high	93.4	Very high	44 Å²	44	30.3 Å²	30.3	21%	0.206	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-43.8	178.8	-74.9	-178.3	-168.7	0	0	112.3	F122 L744 M750 L751 S752 I766 R770	F122-E748 HydrophobicContact CE1-CB 3.76Å; F122-E748 HydrophobicContact CZ-CB 4.18Å; L744-E748 WeakPolarHBondContact O-CB 3.45Å; L744-E748 VanDerWaalsContact O-CG 3.3Å; L744-E748 WeakPolarHBondContact O-CG 3.41Å; L744-E748 PolarHBondContact O-N 3.13Å; E748-M750 VanDerWaalsContact C-N 3.34Å; E748-M750 PolarHBondContact O-N 3.41Å; E748-L751 WeakPolarHBondContact O-CB 3.29Å; E748-L751 PolarHBondContact O-N 2.93Å; E748-S752 PolarHBondContact O-N 3.2Å; E748-S752 PolarHBondContact O-OG 3.01Å; E748-I766 HydrophobicContact CB-CD1 4.32Å; E748-I766 HydrophobicContact CG-CB 4.35Å; E748-I766 HydrophobicContact CG-CD1 3.56Å; E748-I766 HydrophobicContact CG-CG1 3.78Å; E748-I766 HydrophobicContact CG-CG2 3.64Å; E748-I766 WeakPolarHBondContact OE1-CG2 3.44Å; E748-R770 IonicContact OE1-NH2 2.75Å
749	I	95.1	Very high	93.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-42.2	175.7	-67.6	167	0	0	0	110.8	I118 F122 Q166 S169 L170 T745 L751 S752	I118-I749 HydrophobicContact CD1-CD1 4.35Å; I118-I749 HydrophobicContact CG1-CD1 3.57Å; F122-I749 HydrophobicContact CB-CD1 3.98Å; F122-I749 HydrophobicContact CB-CG1 3.84Å; F122-I749 HydrophobicContact CD1-CG1 3.89Å; F122-I749 HydrophobicContact CD2-CG1 3.77Å; F122-I749 HydrophobicContact CE1-CG1 4.37Å; F122-I749 HydrophobicContact CE2-CG1 4.24Å; F122-I749 HydrophobicContact CG-CD1 4.24Å; F122-I749 HydrophobicContact CG-CG1 3.55Å; Q166-I749 HydrophobicContact CB-CB 4.41Å; Q166-I749 HydrophobicContact CB-CD1 4.32Å; Q166-I749 HydrophobicContact CB-CG2 3.69Å; Q166-I749 HydrophobicContact CG-CB 4.14Å; Q166-I749 HydrophobicContact CG-CD1 4.31Å; Q166-I749 HydrophobicContact CG-CG2 3.89Å; S169-I749 PolarHBondContact OG-O 3.05Å; L170-I749 HydrophobicContact CD1-CD1 4.36Å; L170-I749 HydrophobicContact CD1-CG2 4.14Å; L170-I749 HydrophobicContact CD2-CG1 4.37Å; L170-I749 HydrophobicContact CD2-CG2 3.78Å; L170-I749 HydrophobicContact CG-CG2 3.62Å; T745-I749 HydrophobicContact CG2-CD1 3.79Å; T745-I749 WeakPolarHBondContact O-CD1 3.42Å; T745-I749 VanDerWaalsContact O-CG1 3.27Å; T745-I749 WeakPolarHBondContact O-CG1 3.39Å; T745-I749 PolarHBondContact O-N 3.21Å; T745-I749 VanDerWaalsContact O-N 3.09Å; I749-L751 VanDerWaalsContact C-N 3.3Å; I749-L751 PolarHBondContact O-N 3.4Å; I749-S752 WeakPolarHBondContact O-CB 3.23Å; I749-S752 PolarHBondContact O-N 3.19Å
750	M	95.6	Very high	93	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.02	16%	0.159	C	C	.	.	H	α-helix	trans	-72.2	-23	-179.2	-71.8	-59.9	-68.7	0	0	113.3	P165 Q166 F215 L553 I746 V747 E748 S754 F759	P165-M750 HydrophobicContact CB-SD 4.28Å; Q166-M750 HydrophobicContact CG-CG 4.33Å; Q166-M750 HydrophobicContact CG-SD 4.44Å; Q166-M750 VanDerWaalsContact NE2-CG 3.34Å; F215-M750 HydrophobicContact CE1-CE 3.66Å; F215-M750 HydrophobicContact CE2-CE 4.06Å; F215-M750 HydrophobicContact CE2-SD 4.46Å; F215-M750 HydrophobicContact CZ-CE 3.31Å; F215-M750 HydrophobicContact CZ-SD 4.24Å; L553-M750 HydrophobicContact CD1-CB 4.41Å; L553-M750 HydrophobicContact CD1-CG 4.2Å; I746-M750 WeakPolarHBondContact O-CB 3.09Å; I746-M750 WeakPolarHBondContact O-CG 3.5Å; I746-M750 PolarHBondContact O-N 3.05Å; V747-M750 PolarHBondContact O-N 2.95Å; E748-M750 VanDerWaalsContact C-N 3.34Å; E748-M750 PolarHBondContact O-N 3.41Å; M750-S754 WeakPolarHBondContact O-CB 3.24Å; M750-F759 VanDerWaalsContact C-CE2 3.49Å; M750-F759 HydrophobicContact CB-CE2 3.97Å; M750-F759 HydrophobicContact CB-CZ 3.91Å; M750-F759 WeakPolarHBondContact O-CE2 3.17Å
751	L	93.8	Very high	92.6	Very high	30 Å²	30	31.1 Å²	31.1	16%	0.157	17%	0.168	C	C	.	.	H	α-helix	trans	-69.3	-37.2	172.7	172.3	62.3	0	0	0	111.8	V747 E748 I749 G753 S754 F759 G762 I766	V747-L751 WeakPolarHBondContact O-CB 3.34Å; V747-L751 PolarHBondContact O-N 3.2Å; E748-L751 WeakPolarHBondContact O-CB 3.29Å; E748-L751 PolarHBondContact O-N 2.93Å; I749-L751 VanDerWaalsContact C-N 3.3Å; I749-L751 PolarHBondContact O-N 3.4Å; L751-G753 PolarHBondContact O-N 3.2Å; L751-S754 WeakPolarHBondContact O-CB 2.9Å; L751-S754 PolarHBondContact O-N 2.93Å; L751-F759 HydrophobicContact CB-CD1 4.21Å; L751-F759 HydrophobicContact CB-CE1 4.27Å; L751-F759 HydrophobicContact CB-CG 4.4Å; L751-F759 HydrophobicContact CD1-CB 3.53Å; L751-F759 HydrophobicContact CD1-CD1 3.79Å; L751-F759 HydrophobicContact CD1-CD2 4.46Å; L751-F759 HydrophobicContact CD1-CG 3.68Å; L751-G762 WeakPolarHBondContact CD2-O 3.47Å; L751-I766 HydrophobicContact CD2-CD1 4.17Å; L751-I766 HydrophobicContact CD2-CG1 3.59Å
752	S	87.4	Confident	92.4	Very high	27 Å²	27	29.5 Å²	29.5	19%	0.189	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	110.8	-172.7	-64.7	0	0	0	0	112.2	N173 E748 I749 S754	N173-S752 PolarHBondContact ND2-O 3.38Å; E748-S752 PolarHBondContact O-N 3.2Å; E748-S752 PolarHBondContact O-OG 3.01Å; I749-S752 WeakPolarHBondContact O-CB 3.23Å; I749-S752 PolarHBondContact O-N 3.19Å; S752-S754 PolarHBondContact O-N 3.23Å
753	G	82.9	Confident	92.3	Very high	43 Å²	43	30.8 Å²	30.8	44%	0.443	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	10	-179.9	0	0	0	0	0	115.7	R226 L751	R226-G753 PolarHBondContact NH2-O 2.92Å; L751-G753 PolarHBondContact O-N 3.2Å
754	S	88.8	Confident	92.2	Very high	39 Å²	39	33.3 Å²	33.3	27%	0.273	21%	0.206	S	C	.	.			trans	-80.3	151.3	-178.9	-173.4	0	0	0	0	112.8	M750 L751 S752 L756	M750-S754 WeakPolarHBondContact O-CB 3.24Å; L751-S754 WeakPolarHBondContact O-CB 2.9Å; L751-S754 PolarHBondContact O-N 2.93Å; S752-S754 PolarHBondContact O-N 3.23Å; S754-L756 WeakPolarHBondContact OG-CG 3.37Å; S754-L756 PolarHBondContact OG-N 2.92Å
755	Q	86.2	Confident	92.1	Very high	114 Å²	114	33.6 Å²	33.6	53%	0.533	21%	0.208	S	C	.	.			trans	-114.2	12.6	176.4	-64.6	176.6	-7.7	0	0	111.7
756	L	91.5	Very high	92.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	21%	0.21	C	C	.	.			trans	-66.5	143.1	-178.1	-69.4	173.8	0	0	0	111.6	D547 R549 Q550 S754 C758 F759	D547-L756 VanDerWaalsContact OD2-CD2 3.27Å; D547-L756 WeakPolarHBondContact OD2-CD2 3.44Å; R549-L756 HydrophobicContact CB-CD1 3.98Å; R549-L756 HydrophobicContact CB-CD2 3.84Å; R549-L756 VanDerWaalsContact CZ-CD2 3.46Å; Q550-L756 HydrophobicContact CG-CD1 4.47Å; Q550-L756 HydrophobicContact CG-CD2 4.37Å; S754-L756 WeakPolarHBondContact OG-CG 3.37Å; S754-L756 PolarHBondContact OG-N 2.92Å; L756-C758 PolarHBondContact O-N 3.14Å; L756-F759 HydrophobicContact CB-CD2 3.96Å; L756-F759 HydrophobicContact CD1-CD2 4.28Å; L756-F759 HydrophobicContact CD1-CE2 4.11Å; L756-F759 PolarHBondContact O-N 3.16Å
757	P	92.1	Very high	92	Very high	42 Å²	42	41.6 Å²	41.6	27%	0.273	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-55.3	-34.7	178.5	-27.7	35.6	0	0	0	114.7	S691 F759 R760	S691-P757 PolarHBondContact OG-O 3Å; P757-F759 PolarHBondContact O-N 3.34Å; P757-R760 WeakPolarHBondContact O-CG 3.45Å; P757-R760 PolarHBondContact O-N 3.19Å
758	C	93.3	Very high	91.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-66.8	-10.7	177.7	56.8	0	0	0	0	114.6	I689 L690 S691 L756	I689-C758 HydrophobicContact CG1-CB 3.95Å; I689-C758 WeakPolarHBondContact O-CB 3.48Å; L690-C758 HydrophobicContact CB-CB 4.15Å; L690-C758 WeakPolarHBondContact CB-O 3.48Å; L690-C758 HydrophobicContact CD1-CB 4.44Å; S691-C758 PolarHBondContact N-O 2.6Å; S691-C758 PolarHBondContact OG-O 3.4Å; L756-C758 PolarHBondContact O-N 3.14Å
759	F	94.6	Very high	92	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.039	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-113.6	9.6	-178	-68.2	-36.3	0	0	0	113.9	L553 L690 V747 M750 L751 L756 P757 G761 G762 V765	L553-F759 HydrophobicContact CD2-CE1 4.3Å; L553-F759 HydrophobicContact CD2-CE2 4.32Å; L553-F759 HydrophobicContact CD2-CZ 3.58Å; L690-F759 HydrophobicContact CD1-CD1 4.35Å; L690-F759 HydrophobicContact CD1-CE1 3.78Å; V747-F759 HydrophobicContact CG1-CE1 3.69Å; V747-F759 HydrophobicContact CG1-CZ 4.21Å; M750-F759 VanDerWaalsContact C-CE2 3.49Å; M750-F759 HydrophobicContact CB-CE2 3.97Å; M750-F759 HydrophobicContact CB-CZ 3.91Å; M750-F759 WeakPolarHBondContact O-CE2 3.17Å; L751-F759 HydrophobicContact CB-CD1 4.21Å; L751-F759 HydrophobicContact CB-CE1 4.27Å; L751-F759 HydrophobicContact CB-CG 4.4Å; L751-F759 HydrophobicContact CD1-CB 3.53Å; L751-F759 HydrophobicContact CD1-CD1 3.79Å; L751-F759 HydrophobicContact CD1-CD2 4.46Å; L751-F759 HydrophobicContact CD1-CG 3.68Å; L756-F759 HydrophobicContact CB-CD2 3.96Å; L756-F759 HydrophobicContact CD1-CD2 4.28Å; L756-F759 HydrophobicContact CD1-CE2 4.11Å; L756-F759 PolarHBondContact O-N 3.16Å; P757-F759 PolarHBondContact O-N 3.34Å; F759-G761 PolarHBondContact O-N 3.47Å; F759-G761 VanDerWaalsContact O-N 3.11Å; F759-G762 PolarHBondContact O-N 3.4Å; F759-V765 HydrophobicContact CD1-CG1 4.22Å
760	R	88.9	Confident	92.1	Very high	172 Å²	172	46.7 Å²	46.7	65%	0.649	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.1	178.9	-77.7	179.8	-178.4	173	4.9	113.6	S691 N696 P757 G762	S691-R760 PolarHBondContact OG-N 3.15Å; N696-R760 PolarHBondContact OD1-NH1 3.1Å; P757-R760 WeakPolarHBondContact O-CG 3.45Å; P757-R760 PolarHBondContact O-N 3.19Å; R760-G762 PolarHBondContact O-N 2.98Å
761	G	86.5	Confident	92.2	Very high	30 Å²	30	49.4 Å²	49.4	31%	0.309	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.6	176.7	0	0	0	0	0	115.1	F759 G763 T764	F759-G761 PolarHBondContact O-N 3.47Å; F759-G761 VanDerWaalsContact O-N 3.11Å; G761-G763 PolarHBondContact O-N 3.49Å; G761-T764 WeakPolarHBondContact CA-OG1 3.27Å; G761-T764 PolarHBondContact O-N 3.4Å; G761-T764 PolarHBondContact O-OG1 3.29Å
762	G	91.4	Very high	92.3	Very high	26 Å²	26	49.5 Å²	49.5	27%	0.268	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-132.8	-176.4	0	0	0	0	0	111.6	L751 F759 R760 T764 V765	L751-G762 WeakPolarHBondContact CD2-O 3.47Å; F759-G762 PolarHBondContact O-N 3.4Å; R760-G762 PolarHBondContact O-N 2.98Å; G762-T764 PolarHBondContact O-N 3.43Å; G762-T764 VanDerWaalsContact O-N 3.16Å; G762-V765 WeakPolarHBondContact O-CB 3.44Å; G762-V765 PolarHBondContact O-N 3.34Å; G762-V765 VanDerWaalsContact O-N 3.14Å
763	G	91.4	Very high	92.8	Very high	56 Å²	56	48.2 Å²	48.2	58%	0.577	27%	0.273	S	S	*	.	H	α-helix	trans	-61.5	-20.5	179.9	0	0	0	0	0	115	G761 V765 I766 R767	G761-G763 PolarHBondContact O-N 3.49Å; G763-V765 PolarHBondContact O-N 2.8Å; G763-I766 PolarHBondContact O-N 3.43Å; G763-R767 PolarHBondContact O-N 3.5Å
764	T	94.6	Very high	93.4	Very high	56 Å²	56	48.5 Å²	48.5	34%	0.344	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-32.3	176.2	69.7	0	0	0	0	111.5	G761 G762 I766 R767 D768	G761-T764 WeakPolarHBondContact CA-OG1 3.27Å; G761-T764 PolarHBondContact O-N 3.4Å; G761-T764 PolarHBondContact O-OG1 3.29Å; G762-T764 PolarHBondContact O-N 3.43Å; G762-T764 VanDerWaalsContact O-N 3.16Å; T764-I766 VanDerWaalsContact C-N 3.27Å; T764-I766 PolarHBondContact O-N 2.8Å; T764-R767 PolarHBondContact O-N 3.24Å; T764-D768 VanDerWaalsContact O-CB 3.31Å; T764-D768 WeakPolarHBondContact O-CB 3.4Å; T764-D768 PolarHBondContact O-N 3.01Å
765	V	94.9	Very high	93.6	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-42.9	179.2	177.9	0	0	0	0	111.1	L690 F759 G762 G763 L769	L690-V765 HydrophobicContact CB-CG1 3.94Å; L690-V765 HydrophobicContact CD1-CG1 3.8Å; L690-V765 HydrophobicContact CD2-CG1 4.32Å; L690-V765 HydrophobicContact CG-CG1 4.24Å; F759-V765 HydrophobicContact CD1-CG1 4.22Å; G762-V765 WeakPolarHBondContact O-CB 3.44Å; G762-V765 PolarHBondContact O-N 3.34Å; G762-V765 VanDerWaalsContact O-N 3.14Å; G763-V765 PolarHBondContact O-N 2.8Å; V765-L769 VanDerWaalsContact O-CB 3.25Å; V765-L769 WeakPolarHBondContact O-CB 3.39Å; V765-L769 PolarHBondContact O-N 2.91Å
766	I	95.1	Very high	93.8	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.087	28%	0.282	C	S	.	.	H	α-helix	trans	-71.2	-45.4	178.8	-58.8	-55.1	0	0	0	111.1	V747 E748 L751 G763 T764 D768 L769 R770	V747-I766 HydrophobicContact CB-CD1 4.08Å; V747-I766 HydrophobicContact CG1-CD1 3.59Å; E748-I766 HydrophobicContact CB-CD1 4.32Å; E748-I766 HydrophobicContact CG-CB 4.35Å; E748-I766 HydrophobicContact CG-CD1 3.56Å; E748-I766 HydrophobicContact CG-CG1 3.78Å; E748-I766 HydrophobicContact CG-CG2 3.64Å; E748-I766 WeakPolarHBondContact OE1-CG2 3.44Å; L751-I766 HydrophobicContact CD2-CD1 4.17Å; L751-I766 HydrophobicContact CD2-CG1 3.59Å; G763-I766 PolarHBondContact O-N 3.43Å; T764-I766 VanDerWaalsContact C-N 3.27Å; T764-I766 PolarHBondContact O-N 2.8Å; I766-D768 VanDerWaalsContact C-N 3.29Å; I766-D768 PolarHBondContact O-N 3.48Å; I766-L769 PolarHBondContact O-N 3.39Å; I766-R770 WeakPolarHBondContact O-CB 3.48Å; I766-R770 PolarHBondContact O-N 3.24Å
767	R	95.8	Very high	93.8	Very high	158 Å²	158	53.5 Å²	53.5	60%	0.596	29%	0.294	S	S	*	.	H	α-helix	trans	-56.6	-46.5	176.3	-177.2	-168.5	64.9	-168.9	-2.9	111	G763 T764 R770 A771	G763-R767 PolarHBondContact O-N 3.5Å; T764-R767 PolarHBondContact O-N 3.24Å; R767-R770 PolarHBondContact O-N 3.29Å; R767-A771 WeakPolarHBondContact O-CB 3.37Å; R767-A771 PolarHBondContact O-N 3.16Å
768	D	95.6	Very high	93.9	Very high	65 Å²	65	54.9 Å²	54.9	35%	0.348	30%	0.302	S	S	.	.	H	α-helix	trans	-72.8	-35.7	-176.9	-57.7	-12.3	0	0	0	110.8	T764 I766 A771 R772	T764-D768 VanDerWaalsContact O-CB 3.31Å; T764-D768 WeakPolarHBondContact O-CB 3.4Å; T764-D768 PolarHBondContact O-N 3.01Å; I766-D768 VanDerWaalsContact C-N 3.29Å; I766-D768 PolarHBondContact O-N 3.48Å; D768-A771 PolarHBondContact O-N 2.97Å; D768-R772 VanDerWaalsContact C-NH1 3.28Å; D768-R772 WeakPolarHBondContact O-CG 3.48Å; D768-R772 PolarHBondContact O-N 2.92Å; D768-R772 PolarHBondContact O-NH1 3.27Å; D768-R772 VanDerWaalsContact O-NH1 3.09Å
769	L	96.8	Very high	93.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-46.8	171.3	177.5	59.5	0	0	0	111.7	L662 L663 L744 V747 V765 I766 A771 R772 F773	L662-L769 WeakPolarHBondContact O-CD1 3.45Å; L663-L769 HydrophobicContact CD2-CD1 4.4Å; L744-L769 HydrophobicContact CD2-CB 4.15Å; L744-L769 HydrophobicContact CD2-CD2 3.68Å; L744-L769 HydrophobicContact CD2-CG 3.63Å; V747-L769 HydrophobicContact CB-CD2 4.04Å; V747-L769 HydrophobicContact CG1-CD2 4.03Å; V747-L769 HydrophobicContact CG2-CD2 3.8Å; V765-L769 VanDerWaalsContact O-CB 3.25Å; V765-L769 WeakPolarHBondContact O-CB 3.39Å; V765-L769 PolarHBondContact O-N 2.91Å; I766-L769 PolarHBondContact O-N 3.39Å; L769-A771 VanDerWaalsContact C-N 3.3Å; L769-A771 PolarHBondContact O-N 3.37Å; L769-R772 PolarHBondContact O-N 2.85Å; L769-R772 VanDerWaalsContact O-N 3.15Å; L769-F773 HydrophobicContact CD1-CE2 3.94Å; L769-F773 HydrophobicContact CG-CE2 4.14Å; L769-F773 VanDerWaalsContact O-CD2 3.27Å; L769-F773 WeakPolarHBondContact O-CD2 3.45Å
770	R	97.1	Very high	93.8	Very high	86 Å²	86	64.8 Å²	64.8	33%	0.325	35%	0.351	S	S	.	.	H	α-helix	trans	-59	-42.1	175.7	-177.5	179.7	-67.5	-80.2	2.3	111.4	E741 L744 E748 I766 R767 R772 F773	E741-R770 IonicContact OE1-CZ 3.56Å; E741-R770 IonicContact OE1-NH1 2.83Å; E741-R770 PolarHBondContact OE1-NH1 2.92Å; E741-R770 IonicContact OE1-NH2 2.6Å; E741-R770 PolarHBondContact OE1-NH2 3.09Å; E741-R770 IonicContact OE2-NH2 3.23Å; L744-R770 HydrophobicContact CD1-CB 4Å; L744-R770 HydrophobicContact CD1-CG 4.06Å; L744-R770 VanDerWaalsContact CD1-NH2 3.33Å; L744-R770 HydrophobicContact CD2-CB 4.28Å; E748-R770 IonicContact OE1-NH2 2.75Å; I766-R770 WeakPolarHBondContact O-CB 3.48Å; I766-R770 PolarHBondContact O-N 3.24Å; R767-R770 PolarHBondContact O-N 3.29Å; R770-R772 VanDerWaalsContact C-N 3.27Å; R770-R772 PolarHBondContact O-N 2.92Å; R770-F773 PolarHBondContact O-N 3.48Å; R770-F773 VanDerWaalsContact O-N 3.17Å
771	A	96.7	Very high	94.1	Very high	60 Å²	60	63.2 Å²	63.2	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-36.3	177.3	0	0	0	0	0	112.5	R767 D768 L769 F773 H774	R767-A771 WeakPolarHBondContact O-CB 3.37Å; R767-A771 PolarHBondContact O-N 3.16Å; D768-A771 PolarHBondContact O-N 2.97Å; L769-A771 VanDerWaalsContact C-N 3.3Å; L769-A771 PolarHBondContact O-N 3.37Å; A771-F773 PolarHBondContact O-N 3.06Å; A771-H774 PolarHBondContact O-N 2.84Å
772	R	96.8	Very high	94.5	Very high	33 Å²	33	61.8 Å²	61.8	13%	0.125	33%	0.334	C	S	.	.	H	α-helix	trans	-69.3	-14.1	178.4	-70.3	-172.2	-62	-86.3	7.3	114.6	Y661 L662 D768 L769 R770 H774	Y661-R772 HydrophobicContact CE1-CB 3.99Å; Y661-R772 HydrophobicContact CE1-CG 4.49Å; Y661-R772 VanDerWaalsContact CE1-O 3.27Å; Y661-R772 WeakPolarHBondContact CE1-O 3.2Å; Y661-R772 HydrophobicContact CE2-CG 4.37Å; Y661-R772 VanDerWaalsContact O-CD 3.26Å; Y661-R772 WeakPolarHBondContact O-CD 3.42Å; Y661-R772 PolarHBondContact O-NE 3.31Å; L662-R772 HydrophobicContact CD2-CB 4.35Å; L662-R772 VanDerWaalsContact O-CZ 3.22Å; L662-R772 PolarHBondContact O-NE 3.3Å; L662-R772 PolarHBondContact O-NH2 3.07Å; D768-R772 VanDerWaalsContact C-NH1 3.28Å; D768-R772 WeakPolarHBondContact O-CG 3.48Å; D768-R772 PolarHBondContact O-N 2.92Å; D768-R772 PolarHBondContact O-NH1 3.27Å; D768-R772 VanDerWaalsContact O-NH1 3.09Å; L769-R772 PolarHBondContact O-N 2.85Å; L769-R772 VanDerWaalsContact O-N 3.15Å; R770-R772 VanDerWaalsContact C-N 3.27Å; R770-R772 PolarHBondContact O-N 2.92Å; R772-H774 VanDerWaalsContact C-N 3.33Å; R772-H774 PolarHBondContact O-CD2 3.3Å; R772-H774 VanDerWaalsContact O-CD2 3.27Å
773	F	97.1	Very high	94.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.4	170.9	-74.2	-83.2	0	0	0	113.3	L662 A736 R737 H740 I743 L769 R770 A771 V775	L662-F773 HydrophobicContact CD1-CE1 4Å; L662-F773 HydrophobicContact CD1-CZ 4.25Å; L662-F773 HydrophobicContact CD2-CD1 3.98Å; L662-F773 HydrophobicContact CD2-CD2 4.38Å; L662-F773 HydrophobicContact CD2-CE1 3.85Å; L662-F773 HydrophobicContact CD2-CE2 4.25Å; L662-F773 HydrophobicContact CD2-CG 4.26Å; L662-F773 HydrophobicContact CD2-CZ 3.98Å; A736-F773 HydrophobicContact CB-CD1 4.39Å; A736-F773 HydrophobicContact CB-CE1 4Å; R737-F773 WeakPolarHBondContact CD-O 3.34Å; R737-F773 WeakPolarHBondContact CG-O 3.24Å; H740-F773 HydrophobicContact CB-CB 4.1Å; H740-F773 HydrophobicContact CB-CD1 3.5Å; H740-F773 HydrophobicContact CB-CD2 3.92Å; H740-F773 HydrophobicContact CB-CE1 3.77Å; H740-F773 HydrophobicContact CB-CE2 4.18Å; H740-F773 HydrophobicContact CB-CG 3.57Å; H740-F773 HydrophobicContact CB-CZ 4.11Å; I743-F773 HydrophobicContact CB-CZ 4.07Å; I743-F773 HydrophobicContact CD1-CE1 4.04Å; I743-F773 HydrophobicContact CD1-CZ 3.75Å; I743-F773 HydrophobicContact CG2-CE2 4.39Å; I743-F773 HydrophobicContact CG2-CZ 3.96Å; L769-F773 HydrophobicContact CD1-CE2 3.94Å; L769-F773 HydrophobicContact CG-CE2 4.14Å; L769-F773 VanDerWaalsContact O-CD2 3.27Å; L769-F773 WeakPolarHBondContact O-CD2 3.45Å; R770-F773 PolarHBondContact O-N 3.48Å; R770-F773 VanDerWaalsContact O-N 3.17Å; A771-F773 PolarHBondContact O-N 3.06Å; F773-V775 VanDerWaalsContact C-N 3.26Å; F773-V775 HydrophobicContact CB-CG2 3.99Å; F773-V775 PolarHBondContact O-N 3.45Å
774	H	95.8	Very high	94.9	Very high	49 Å²	49	64.9 Å²	64.9	23%	0.227	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	45.1	177.7	-66.5	-82.4	0	0	0	113.2	Y661 A771 R772 N776 C777 L782 L785	Y661-H774 PolarHBondContact OH-NE2 2.98Å; A771-H774 PolarHBondContact O-N 2.84Å; R772-H774 VanDerWaalsContact C-N 3.33Å; R772-H774 PolarHBondContact O-CD2 3.3Å; R772-H774 VanDerWaalsContact O-CD2 3.27Å; H774-N776 PolarHBondContact O-N 3.28Å; H774-N776 VanDerWaalsContact O-N 3.08Å; H774-C777 HydrophobicContact CB-CB 4Å; H774-C777 WeakPolarHBondContact O-CB 3.39Å; H774-C777 PolarHBondContact O-N 3.11Å; H774-L782 HydrophobicContact CB-CD2 3.61Å; H774-L785 WeakPolarHBondContact CD2-CD2 3.44Å; H774-L785 VanDerWaalsContact NE2-CD2 3.32Å; H774-L785 WeakPolarHBondContact NE2-CD2 3.26Å
775	V	93.1	Very high	94.9	Very high	58 Å²	58	63.9 Å²	63.9	35%	0.352	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.4	-173.2	-177.4	0	0	0	0	112.6	R737 F773	R737-V775 HydrophobicContact CG-CG2 4.46Å; F773-V775 VanDerWaalsContact C-N 3.26Å; F773-V775 HydrophobicContact CB-CG2 3.99Å; F773-V775 PolarHBondContact O-N 3.45Å
776	N	91.4	Very high	95	Very high	163 Å²	163	63.7 Å²	63.7	87%	0.872	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	4.6	-177.2	-58.1	-30.3	0	0	0	114.2	H774	H774-N776 PolarHBondContact O-N 3.28Å; H774-N776 VanDerWaalsContact O-N 3.08Å
777	C	91.9	Very high	95	Very high	38 Å²	38	65.6 Å²	65.6	26%	0.257	34%	0.338	S	S	.	.	S	Bend	trans	-85.1	147.2	177.3	-71.8	0	0	0	0	111	R737 H774 K781 L782	R737-C777 PolarHBondContact NH1-O 3.46Å; H774-C777 HydrophobicContact CB-CB 4Å; H774-C777 WeakPolarHBondContact O-CB 3.39Å; H774-C777 PolarHBondContact O-N 3.11Å; C777-K781 HydrophobicContact CB-CB 4.15Å; C777-L782 HydrophobicContact CB-CD2 4.1Å; C777-L782 HydrophobicContact CB-CG 4.31Å
778	T	93.9	Very high	94.9	Very high	70 Å²	70	62.8 Å²	62.8	43%	0.429	33%	0.334	S	S	.	.			trans	-75.3	164	169.2	72	0	0	0	0	110.4	E780 K781 L782	T778-E780 WeakPolarHBondContact CB-OE2 3.23Å; T778-E780 PolarHBondContact O-N 3.47Å; T778-E780 PolarHBondContact OG1-OE2 3.27Å; T778-K781 PolarHBondContact O-N 3.37Å; T778-K781 VanDerWaalsContact O-N 3.14Å; T778-K781 PolarHBondContact OG1-N 3.35Å; T778-L782 PolarHBondContact O-N 3.11Å
779	D	91.4	Very high	94.9	Very high	79 Å²	79	60 Å²	60	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-31.8	-179	-69.6	1.9	0	0	0	111.6	R737 L782 H783	R737-D779 IonicContact CZ-OD1 3.74Å; R737-D779 IonicContact NH1-OD1 3.76Å; R737-D779 IonicContact NH2-OD1 3.5Å; R737-D779 PolarHBondContact NH2-OD1 3.4Å; D779-L782 PolarHBondContact O-N 3.5Å; D779-H783 PolarHBondContact O-N 3.19Å
780	E	93.3	Very high	94.8	Very high	138 Å²	138	60.1 Å²	60.1	65%	0.645	32%	0.32	S	S	*	.	H	α-helix	trans	-65.7	-40.1	174.1	-54.7	74.2	-158.8	0	0	111.5	T778 L782 H783 A784	T778-E780 WeakPolarHBondContact CB-OE2 3.23Å; T778-E780 PolarHBondContact O-N 3.47Å; T778-E780 PolarHBondContact OG1-OE2 3.27Å; E780-L782 VanDerWaalsContact C-N 3.34Å; E780-H783 PolarHBondContact O-N 2.83Å; E780-A784 PolarHBondContact O-N 2.92Å; E780-A784 VanDerWaalsContact O-N 3.08Å
781	K	95.2	Very high	94.6	Very high	139 Å²	139	59 Å²	59	60%	0.604	32%	0.319	S	S	*	.	H	α-helix	trans	-67.9	-36	174.6	-73.2	-175.3	178.2	-180	0	111.7	C777 T778 A784 L785	C777-K781 HydrophobicContact CB-CB 4.15Å; T778-K781 PolarHBondContact O-N 3.37Å; T778-K781 VanDerWaalsContact O-N 3.14Å; T778-K781 PolarHBondContact OG1-N 3.35Å; K781-A784 PolarHBondContact O-N 3.41Å; K781-L785 WeakPolarHBondContact O-CB 3.25Å; K781-L785 PolarHBondContact O-N 3.18Å
782	L	94.9	Very high	94.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-40.6	173.5	-71.7	-174.7	0	0	0	111.7	L730 L733 I734 H774 C777 T778 D779 E780 A784 L785 I786	L730-L782 HydrophobicContact CD1-CB 3.74Å; L733-L782 HydrophobicContact CD2-CD2 4.14Å; I734-L782 HydrophobicContact CG1-CD1 3.79Å; H774-L782 HydrophobicContact CB-CD2 3.61Å; C777-L782 HydrophobicContact CB-CD2 4.1Å; C777-L782 HydrophobicContact CB-CG 4.31Å; T778-L782 PolarHBondContact O-N 3.11Å; D779-L782 PolarHBondContact O-N 3.5Å; E780-L782 VanDerWaalsContact C-N 3.34Å; L782-A784 PolarHBondContact O-N 3.09Å; L782-L785 HydrophobicContact CD2-CD2 4.2Å; L782-L785 WeakPolarHBondContact O-CB 3.38Å; L782-L785 PolarHBondContact O-N 3.2Å; L782-I786 WeakPolarHBondContact O-CG1 3.5Å; L782-I786 PolarHBondContact O-N 3.08Å
783	H	94.9	Very high	94	Very high	90 Å²	90	57.9 Å²	57.9	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-58.3	-49.5	174.6	-169.9	-62.1	0	0	0	111	L730 D779 E780 L785 I786 D787	L730-H783 HydrophobicContact CD2-CB 4.08Å; D779-H783 PolarHBondContact O-N 3.19Å; E780-H783 PolarHBondContact O-N 2.83Å; H783-L785 VanDerWaalsContact C-N 3.28Å; H783-L785 PolarHBondContact O-N 3.49Å; H783-I786 PolarHBondContact O-N 3.05Å; H783-I786 VanDerWaalsContact O-N 3.14Å; H783-D787 IonicContact CE1-OD2 3.14Å; H783-D787 PolarHBondContact CE1-OD2 3.35Å; H783-D787 IonicContact ND1-OD2 3.57Å; H783-D787 PolarHBondContact ND1-OD2 2.68Å; H783-D787 PolarHBondContact O-N 3.47Å; H783-D787 VanDerWaalsContact O-N 3.08Å
784	A	96.2	Very high	93.5	Very high	58 Å²	58	60.8 Å²	60.8	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-37.1	176.5	0	0	0	0	0	112.7	E780 K781 L782 D787 D788	E780-A784 PolarHBondContact O-N 2.92Å; E780-A784 VanDerWaalsContact O-N 3.08Å; K781-A784 PolarHBondContact O-N 3.41Å; L782-A784 PolarHBondContact O-N 3.09Å; A784-D787 PolarHBondContact O-N 3.36Å; A784-D788 WeakPolarHBondContact O-CB 3.41Å; A784-D788 PolarHBondContact O-N 2.92Å
785	L	95.5	Very high	92.8	Very high	34 Å²	34	66.5 Å²	66.5	18%	0.178	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-42.6	174.4	174.7	71.5	0	0	0	112	L733 H774 K781 L782 H783 D788 M789	L733-L785 HydrophobicContact CD2-CD2 4.2Å; H774-L785 WeakPolarHBondContact CD2-CD2 3.44Å; H774-L785 VanDerWaalsContact NE2-CD2 3.32Å; H774-L785 WeakPolarHBondContact NE2-CD2 3.26Å; K781-L785 WeakPolarHBondContact O-CB 3.25Å; K781-L785 PolarHBondContact O-N 3.18Å; L782-L785 HydrophobicContact CD2-CD2 4.2Å; L782-L785 WeakPolarHBondContact O-CB 3.38Å; L782-L785 PolarHBondContact O-N 3.2Å; H783-L785 VanDerWaalsContact C-N 3.28Å; H783-L785 PolarHBondContact O-N 3.49Å; L785-D788 PolarHBondContact O-N 3.41Å; L785-M789 HydrophobicContact CD1-CG 4.2Å; L785-M789 HydrophobicContact CD1-SD 4.41Å; L785-M789 HydrophobicContact CD2-CE 4.4Å; L785-M789 HydrophobicContact CG-CE 4.04Å; L785-M789 HydrophobicContact CG-CG 4.4Å; L785-M789 HydrophobicContact CG-SD 4.33Å; L785-M789 WeakPolarHBondContact O-CB 3.44Å; L785-M789 VanDerWaalsContact O-CG 3.29Å; L785-M789 WeakPolarHBondContact O-CG 3.47Å; L785-M789 PolarHBondContact O-N 2.73Å
786	I	96.4	Very high	92.3	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-47	177.1	-66.2	-67.5	0	0	0	110.1	K726 M729 L730 L733 L782 H783 D788 M789 V790	K726-I786 HydrophobicContact CB-CG2 4.28Å; M729-I786 HydrophobicContact CB-CD1 3.9Å; M729-I786 HydrophobicContact CB-CG2 4.12Å; M729-I786 HydrophobicContact CE-CD1 4.34Å; L730-I786 HydrophobicContact CB-CG1 4.13Å; L730-I786 HydrophobicContact CD1-CG1 4.14Å; L733-I786 HydrophobicContact CB-CD1 4.48Å; L733-I786 HydrophobicContact CD2-CD1 3.96Å; L782-I786 WeakPolarHBondContact O-CG1 3.5Å; L782-I786 PolarHBondContact O-N 3.08Å; H783-I786 PolarHBondContact O-N 3.05Å; H783-I786 VanDerWaalsContact O-N 3.14Å; I786-D788 VanDerWaalsContact C-N 3.33Å; I786-D788 PolarHBondContact O-N 3.39Å; I786-M789 HydrophobicContact CD1-CE 3.6Å; I786-M789 HydrophobicContact CG1-CE 4.49Å; I786-M789 PolarHBondContact O-N 2.93Å; I786-V790 HydrophobicContact CG2-CG2 4.35Å; I786-V790 WeakPolarHBondContact O-CB 3.48Å; I786-V790 VanDerWaalsContact O-CG2 3.28Å; I786-V790 WeakPolarHBondContact O-CG2 3.26Å; I786-V790 PolarHBondContact O-N 3.46Å
787	D	95.2	Very high	91.3	Very high	57 Å²	57	62.6 Å²	62.6	31%	0.305	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-44	177.8	-73.1	-44.5	0	0	0	111.7	K726 H783 A784 V790 E791	K726-D787 IonicContact NZ-OD1 2.66Å; H783-D787 IonicContact CE1-OD2 3.14Å; H783-D787 PolarHBondContact CE1-OD2 3.35Å; H783-D787 IonicContact ND1-OD2 3.57Å; H783-D787 PolarHBondContact ND1-OD2 2.68Å; H783-D787 PolarHBondContact O-N 3.47Å; H783-D787 VanDerWaalsContact O-N 3.08Å; A784-D787 PolarHBondContact O-N 3.36Å; D787-V790 PolarHBondContact O-N 2.81Å; D787-E791 WeakPolarHBondContact O-CB 3.4Å; D787-E791 PolarHBondContact O-N 3.34Å
788	D	94.3	Very high	90.5	Very high	99 Å²	99	62.9 Å²	62.9	53%	0.529	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-44.2	176.9	-178.2	68.5	0	0	0	112.7	A784 L785 I786 V790 E791 T792	A784-D788 WeakPolarHBondContact O-CB 3.41Å; A784-D788 PolarHBondContact O-N 2.92Å; L785-D788 PolarHBondContact O-N 3.41Å; I786-D788 VanDerWaalsContact C-N 3.33Å; I786-D788 PolarHBondContact O-N 3.39Å; D788-V790 PolarHBondContact O-N 3.05Å; D788-E791 PolarHBondContact O-N 3.09Å; D788-T792 VanDerWaalsContact O-CB 3.24Å; D788-T792 WeakPolarHBondContact O-CB 3.49Å; D788-T792 PolarHBondContact O-N 2.89Å; D788-T792 PolarHBondContact O-OG1 3.47Å
789	M	94.6	Very high	89.5	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-44	177.4	-75.3	-168.6	-57.3	0	0	111.6	Y661 P703 F704 L785 I786 S793	Y661-M789 HydrophobicContact CD1-SD 4.1Å; Y661-M789 HydrophobicContact CD2-SD 3.54Å; Y661-M789 VanDerWaalsContact CD2-SD 3.54Å; Y661-M789 HydrophobicContact CE1-SD 4.01Å; Y661-M789 HydrophobicContact CE2-SD 3.43Å; Y661-M789 WeakPolarHBondContact CE2-SD 3.33Å; Y661-M789 HydrophobicContact CG-SD 3.86Å; P703-M789 HydrophobicContact CB-CG 4.5Å; P703-M789 HydrophobicContact CG-CB 4.41Å; P703-M789 HydrophobicContact CG-CG 4.25Å; F704-M789 HydrophobicContact CE1-CB 4.19Å; L785-M789 HydrophobicContact CD1-CG 4.2Å; L785-M789 HydrophobicContact CD1-SD 4.41Å; L785-M789 HydrophobicContact CD2-CE 4.4Å; L785-M789 HydrophobicContact CG-CE 4.04Å; L785-M789 HydrophobicContact CG-CG 4.4Å; L785-M789 HydrophobicContact CG-SD 4.33Å; L785-M789 WeakPolarHBondContact O-CB 3.44Å; L785-M789 VanDerWaalsContact O-CG 3.29Å; L785-M789 WeakPolarHBondContact O-CG 3.47Å; L785-M789 PolarHBondContact O-N 2.73Å; I786-M789 HydrophobicContact CD1-CE 3.6Å; I786-M789 HydrophobicContact CG1-CE 4.49Å; I786-M789 PolarHBondContact O-N 2.93Å; M789-S793 WeakPolarHBondContact O-CB 3.41Å; M789-S793 PolarHBondContact O-N 3.12Å; M789-S793 PolarHBondContact O-OG 3.15Å
790	V	95.1	Very high	88.8	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-45	179.2	169.4	0	0	0	0	110.8	F704 L706 F722 F725 K726 M729 I786 D787 D788 S793 R794	F704-V790 HydrophobicContact CZ-CG2 4.17Å; L706-V790 HydrophobicContact CD2-CG1 3.95Å; F722-V790 HydrophobicContact CE1-CG1 4.25Å; F722-V790 HydrophobicContact CE2-CG1 4.28Å; F722-V790 HydrophobicContact CZ-CG1 3.5Å; F725-V790 HydrophobicContact CE1-CG2 4Å; K726-V790 HydrophobicContact CD-CG1 4.47Å; K726-V790 HydrophobicContact CG-CG2 4.28Å; M729-V790 HydrophobicContact CE-CG2 4.48Å; M729-V790 HydrophobicContact SD-CG2 3.86Å; I786-V790 HydrophobicContact CG2-CG2 4.35Å; I786-V790 WeakPolarHBondContact O-CB 3.48Å; I786-V790 VanDerWaalsContact O-CG2 3.28Å; I786-V790 WeakPolarHBondContact O-CG2 3.26Å; I786-V790 PolarHBondContact O-N 3.46Å; D787-V790 PolarHBondContact O-N 2.81Å; D788-V790 PolarHBondContact O-N 3.05Å; V790-S793 PolarHBondContact O-N 3.03Å; V790-R794 WeakPolarHBondContact O-CB 3.47Å; V790-R794 PolarHBondContact O-N 2.69Å
791	E	92.3	Very high	88	Confident	63 Å²	63	61.8 Å²	61.8	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-70.3	-37.5	-179.1	-169.6	61.3	-177.5	0	0	112.5	D787 D788 R794 R795	D787-E791 WeakPolarHBondContact O-CB 3.4Å; D787-E791 PolarHBondContact O-N 3.34Å; D788-E791 PolarHBondContact O-N 3.09Å; E791-R794 IonicContact OE1-CZ 3.83Å; E791-R794 IonicContact OE1-NE 2.82Å; E791-R794 IonicContact OE1-NH2 2.81Å; E791-R794 PolarHBondContact OE1-NH2 2.94Å; E791-R794 IonicContact OE2-CZ 3.68Å; E791-R794 IonicContact OE2-NE 3.79Å; E791-R794 PolarHBondContact OE2-NE 3.33Å; E791-R794 IonicContact OE2-NH2 2.74Å; E791-R794 PolarHBondContact OE2-NH2 2.81Å; E791-R795 WeakPolarHBondContact O-CG 3.32Å; E791-R795 PolarHBondContact O-N 3.35Å; E791-R795 IonicContact OE1-CZ 3.77Å; E791-R795 IonicContact OE1-NE 2.72Å; E791-R795 PolarHBondContact OE1-NE 3.39Å; E791-R795 IonicContact OE1-NH2 3.66Å; E791-R795 PolarHBondContact OE1-NH2 3.31Å
792	T	90.8	Very high	87.1	Confident	67 Å²	67	56.6 Å²	56.6	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-45.2	173.6	-63.6	0	0	0	0	111.4	D788 R795 S796	D788-T792 VanDerWaalsContact O-CB 3.24Å; D788-T792 WeakPolarHBondContact O-CB 3.49Å; D788-T792 PolarHBondContact O-N 2.89Å; D788-T792 PolarHBondContact O-OG1 3.47Å; T792-R795 PolarHBondContact O-N 3.45Å; T792-S796 PolarHBondContact O-N 3.08Å
793	S	91.2	Very high	86.3	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-67.2	-38.7	179.6	-74.4	0	0	0	0	112.7	S702 P703 F704 M789 V790 R795 S796	S702-S793 WeakPolarHBondContact OG-CA 3.22Å; S702-S793 PolarHBondContact OG-OG 3.07Å; S702-S793 VanDerWaalsContact OG-OG 3.09Å; P703-S793 WeakPolarHBondContact CD-OG 3.43Å; F704-S793 VanDerWaalsContact CE2-CB 3.47Å; F704-S793 PolarHBondContact N-OG 3.44Å; F704-S793 WeakPolarHBondContact O-CB 3.49Å; F704-S793 PolarHBondContact O-OG 3Å; F704-S793 VanDerWaalsContact O-OG 3.09Å; M789-S793 WeakPolarHBondContact O-CB 3.41Å; M789-S793 PolarHBondContact O-N 3.12Å; M789-S793 PolarHBondContact O-OG 3.15Å; V790-S793 PolarHBondContact O-N 3.03Å; S793-R795 PolarHBondContact O-N 3.29Å; S793-S796 WeakPolarHBondContact O-CB 3.42Å; S793-S796 PolarHBondContact O-N 3.23Å
794	R	87.3	Confident	85.5	Confident	60 Å²	60	57.2 Å²	57.2	23%	0.226	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-38	176.4	-172.8	179.6	76.2	82.5	-1.4	113	L706 I711 V790 E791 S796	L706-R794 WeakPolarHBondContact O-CA 3.39Å; I711-R794 HydrophobicContact CD1-CB 4.21Å; I711-R794 HydrophobicContact CD1-CG 3.47Å; I711-R794 VanDerWaalsContact CD1-CG 3.47Å; V790-R794 WeakPolarHBondContact O-CB 3.47Å; V790-R794 PolarHBondContact O-N 2.69Å; E791-R794 IonicContact OE1-CZ 3.83Å; E791-R794 IonicContact OE1-NE 2.82Å; E791-R794 IonicContact OE1-NH2 2.81Å; E791-R794 PolarHBondContact OE1-NH2 2.94Å; E791-R794 IonicContact OE2-CZ 3.68Å; E791-R794 IonicContact OE2-NE 3.79Å; E791-R794 PolarHBondContact OE2-NE 3.33Å; E791-R794 IonicContact OE2-NH2 2.74Å; E791-R794 PolarHBondContact OE2-NH2 2.81Å; R794-S796 VanDerWaalsContact C-N 3.34Å
795	R	79.6	Confident	84.6	Confident	170 Å²	170	58 Å²	58	64%	0.642	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	8.4	-179.3	-63.4	-174.5	-176.2	-178.4	4.6	113.8	E791 T792 S793 I797	E791-R795 WeakPolarHBondContact O-CG 3.32Å; E791-R795 PolarHBondContact O-N 3.35Å; E791-R795 IonicContact OE1-CZ 3.77Å; E791-R795 IonicContact OE1-NE 2.72Å; E791-R795 PolarHBondContact OE1-NE 3.39Å; E791-R795 IonicContact OE1-NH2 3.66Å; E791-R795 PolarHBondContact OE1-NH2 3.31Å; T792-R795 PolarHBondContact O-N 3.45Å; S793-R795 PolarHBondContact O-N 3.29Å; R795-I797 PolarHBondContact O-N 3.11Å
796	S	82.4	Confident	83.7	Confident	15 Å²	15	56.7 Å²	56.7	11%	0.105	27%	0.271	C	S	.	.			trans	-66.7	107.2	-173.5	175.9	0	0	0	0	112.5	T792 S793 R794 T798 T799	T792-S796 PolarHBondContact O-N 3.08Å; S793-S796 WeakPolarHBondContact O-CB 3.42Å; S793-S796 PolarHBondContact O-N 3.23Å; R794-S796 VanDerWaalsContact C-N 3.34Å; S796-T798 VanDerWaalsContact C-N 3.3Å; S796-T798 PolarHBondContact OG-OG1 3.05Å; S796-T799 WeakPolarHBondContact CB-OG1 3.5Å; S796-T799 PolarHBondContact OG-N 2.91Å; S796-T799 VanDerWaalsContact OG-N 3.14Å; S796-T799 PolarHBondContact OG-OG1 2.82Å
797	I	71.5	Confident	82.8	Confident	123 Å²	123	61.8 Å²	61.8	63%	0.631	29%	0.291	S	S	*	.	H	α-helix	trans	-65.8	-37.1	170.6	-60.5	170.3	0	0	0	110.3	R795 T799 R800 L801	R795-I797 PolarHBondContact O-N 3.11Å; I797-T799 VanDerWaalsContact C-N 3.25Å; I797-T799 PolarHBondContact O-N 3.46Å; I797-R800 PolarHBondContact O-N 2.84Å; I797-R800 VanDerWaalsContact O-N 3.13Å; I797-L801 HydrophobicContact CG2-CD1 4.01Å; I797-L801 HydrophobicContact CG2-CG 4.15Å; I797-L801 WeakPolarHBondContact O-CG 3.03Å; I797-L801 PolarHBondContact O-N 2.81Å
798	T	74.8	Confident	81.8	Confident	45 Å²	45	66.9 Å²	66.9	28%	0.276	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-36	-178.7	63	0	0	0	0	112.4	F699 S796 L801 Y802	F699-T798 WeakPolarHBondContact O-CB 3.25Å; F699-T798 WeakPolarHBondContact O-CG2 3.19Å; S796-T798 VanDerWaalsContact C-N 3.3Å; S796-T798 PolarHBondContact OG-OG1 3.05Å; T798-L801 PolarHBondContact O-N 3.39Å; T798-Y802 WeakPolarHBondContact O-CB 3.13Å; T798-Y802 PolarHBondContact O-N 3.06Å
799	T	72.8	Confident	80.7	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-46.8	175.6	-58.5	0	0	0	0	111	K705 S796 I797 L801 Y802 D803	K705-T799 HydrophobicContact CB-CG2 4.28Å; K705-T799 HydrophobicContact CD-CG2 3.95Å; K705-T799 HydrophobicContact CG-CG2 3.73Å; S796-T799 WeakPolarHBondContact CB-OG1 3.5Å; S796-T799 PolarHBondContact OG-N 2.91Å; S796-T799 VanDerWaalsContact OG-N 3.14Å; S796-T799 PolarHBondContact OG-OG1 2.82Å; I797-T799 VanDerWaalsContact C-N 3.25Å; I797-T799 PolarHBondContact O-N 3.46Å; T799-L801 PolarHBondContact O-N 3.11Å; T799-Y802 PolarHBondContact O-N 2.81Å; T799-D803 PolarHBondContact O-N 2.81Å
800	R	76.5	Confident	79.6	Confident	149 Å²	149	69.4 Å²	69.4	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-63.6	-39.6	176.7	-64.5	-177.8	178.2	-177.7	-2.3	112.2	D708 I797 Y802 N804	D708-R800 IonicContact OD2-NH2 3.09Å; D708-R800 PolarHBondContact OD2-NH2 2.74Å; I797-R800 PolarHBondContact O-N 2.84Å; I797-R800 VanDerWaalsContact O-N 3.13Å; R800-Y802 VanDerWaalsContact C-N 3.32Å; R800-N804 PolarHBondContact O-N 3.46Å; R800-N804 PolarHBondContact O-ND2 3.31Å; R800-N804 VanDerWaalsContact O-ND2 3.14Å
801	L	76.2	Confident	78.4	Confident	109 Å²	109	71.2 Å²	71.2	57%	0.571	35%	0.346	S	S	*	.	H	α-helix	trans	-64.1	-38.6	174.8	-70.7	175	0	0	0	111.9	I797 T798 T799 N804 F805	I797-L801 HydrophobicContact CG2-CD1 4.01Å; I797-L801 HydrophobicContact CG2-CG 4.15Å; I797-L801 WeakPolarHBondContact O-CG 3.03Å; I797-L801 PolarHBondContact O-N 2.81Å; T798-L801 PolarHBondContact O-N 3.39Å; T799-L801 PolarHBondContact O-N 3.11Å; L801-N804 PolarHBondContact O-N 2.84Å; L801-F805 PolarHBondContact O-N 3.08Å
802	Y	77.2	Confident	77.1	Confident	30 Å²	30	69.6 Å²	69.6	12%	0.118	34%	0.339	C	S	.	.	H	α-helix	trans	-70	-40.7	178.6	-165.1	-108	0	0	0	112.5	D667 T798 T799 R800 N804 F805 Q806	D667-Y802 VanDerWaalsContact CG-OH 3.3Å; D667-Y802 WeakPolarHBondContact OD1-CE1 3.11Å; D667-Y802 PolarHBondContact OD1-OH 3.38Å; T798-Y802 WeakPolarHBondContact O-CB 3.13Å; T798-Y802 PolarHBondContact O-N 3.06Å; T799-Y802 PolarHBondContact O-N 2.81Å; R800-Y802 VanDerWaalsContact C-N 3.32Å; Y802-N804 VanDerWaalsContact C-N 3.33Å; Y802-N804 PolarHBondContact O-N 3.15Å; Y802-F805 HydrophobicContact CD2-CD1 4.42Å; Y802-F805 HydrophobicContact CE2-CD1 4.12Å; Y802-F805 WeakPolarHBondContact O-CB 3.31Å; Y802-F805 PolarHBondContact O-N 2.94Å; Y802-F805 VanDerWaalsContact O-N 3.16Å; Y802-Q806 HydrophobicContact CD1-CG 4.07Å; Y802-Q806 HydrophobicContact CE1-CG 3.78Å; Y802-Q806 WeakPolarHBondContact O-CG 3.13Å; Y802-Q806 PolarHBondContact O-N 2.97Å; Y802-Q806 PolarHBondContact OH-NE2 3.48Å
803	D	77.5	Confident	75.5	Confident	19 Å²	19	71.8 Å²	71.8	10%	0.102	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-44.2	172.4	-73	-23	0	0	0	111	K705 T799 F805 Q806 Y807	K705-D803 VanDerWaalsContact CE-OD2 3.29Å; K705-D803 WeakPolarHBondContact CE-OD2 3.47Å; K705-D803 IonicContact NZ-OD1 2.8Å; K705-D803 PolarHBondContact NZ-OD1 2.9Å; K705-D803 IonicContact NZ-OD2 2.75Å; K705-D803 PolarHBondContact NZ-OD2 2.9Å; T799-D803 PolarHBondContact O-N 2.81Å; D803-F805 VanDerWaalsContact C-N 3.34Å; D803-F805 PolarHBondContact O-N 3.47Å; D803-Q806 PolarHBondContact O-N 3.07Å; D803-Y807 WeakPolarHBondContact O-CB 3.34Å; D803-Y807 PolarHBondContact O-N 3.27Å
804	N	77.9	Confident	74.7	Confident	84 Å²	84	75.3 Å²	75.3	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-43.3	173	-74.2	-35.9	0	0	0	112	R800 L801 Y802 Q806 Y807 F808	R800-N804 PolarHBondContact O-N 3.46Å; R800-N804 PolarHBondContact O-ND2 3.31Å; R800-N804 VanDerWaalsContact O-ND2 3.14Å; L801-N804 PolarHBondContact O-N 2.84Å; Y802-N804 VanDerWaalsContact C-N 3.33Å; Y802-N804 PolarHBondContact O-N 3.15Å; N804-Q806 VanDerWaalsContact C-N 3.34Å; N804-Q806 PolarHBondContact O-N 2.87Å; N804-Y807 WeakPolarHBondContact O-CB 3.45Å; N804-Y807 PolarHBondContact O-N 3.31Å; N804-F808 HydrophobicContact CB-CD2 4.45Å; N804-F808 HydrophobicContact CB-CE2 4.22Å; N804-F808 WeakPolarHBondContact O-CD2 3.5Å; N804-F808 WeakPolarHBondContact O-CG 3.48Å; N804-F808 PolarHBondContact O-N 2.48Å
805	F	76.6	Confident	74.1	Confident	74 Å²	74	76.1 Å²	76.1	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-47.3	175.1	172.2	-94.6	0	0	0	111.2	L801 Y802 D803 Y807 F808 T809	L801-F805 PolarHBondContact O-N 3.08Å; Y802-F805 HydrophobicContact CD2-CD1 4.42Å; Y802-F805 HydrophobicContact CE2-CD1 4.12Å; Y802-F805 WeakPolarHBondContact O-CB 3.31Å; Y802-F805 PolarHBondContact O-N 2.94Å; Y802-F805 VanDerWaalsContact O-N 3.16Å; D803-F805 VanDerWaalsContact C-N 3.34Å; D803-F805 PolarHBondContact O-N 3.47Å; F805-Y807 VanDerWaalsContact C-N 3.33Å; F805-Y807 PolarHBondContact O-N 3Å; F805-F808 PolarHBondContact O-N 3.39Å; F805-T809 HydrophobicContact CD1-CG2 4.46Å; F805-T809 HydrophobicContact CD2-CG2 4.02Å; F805-T809 HydrophobicContact CE1-CG2 4.09Å; F805-T809 HydrophobicContact CE2-CG2 3.61Å; F805-T809 HydrophobicContact CG-CG2 4.43Å; F805-T809 HydrophobicContact CZ-CG2 3.66Å; F805-T809 WeakPolarHBondContact O-CG2 3.23Å; F805-T809 PolarHBondContact O-N 3.39Å; F805-T809 PolarHBondContact O-OG1 2.85Å
806	Q	77.6	Confident	73.8	Confident	8 Å²	8	70.9 Å²	70.9	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-37.7	177.7	-72	-72.6	-7.7	0	0	112.3	D667 H669 Y802 D803 N804 N810 G811 I812	D667-Q806 PolarHBondContact OD1-NE2 2.86Å; D667-Q806 VanDerWaalsContact OD1-NE2 3.08Å; H669-Q806 HydrophobicContact CB-CB 4.29Å; H669-Q806 HydrophobicContact CB-CG 3.88Å; H669-Q806 PolarHBondContact CD2-NE2 3.29Å; Y802-Q806 HydrophobicContact CD1-CG 4.07Å; Y802-Q806 HydrophobicContact CE1-CG 3.78Å; Y802-Q806 WeakPolarHBondContact O-CG 3.13Å; Y802-Q806 PolarHBondContact O-N 2.97Å; Y802-Q806 PolarHBondContact OH-NE2 3.48Å; D803-Q806 PolarHBondContact O-N 3.07Å; N804-Q806 VanDerWaalsContact C-N 3.34Å; N804-Q806 PolarHBondContact O-N 2.87Å; Q806-N810 CarbonylContact O-C 3.55Å; Q806-N810 WeakPolarHBondContact O-CA 3.38Å; Q806-N810 WeakPolarHBondContact O-CB 3.44Å; Q806-N810 PolarHBondContact O-N 3.2Å; Q806-N810 PolarHBondContact OE1-ND2 2.95Å; Q806-G811 PolarHBondContact O-N 3.4Å; Q806-I812 HydrophobicContact CB-CB 4.46Å; Q806-I812 PolarHBondContact O-N 2.88Å
807	Y	77.9	Confident	73.3	Confident	110 Å²	110	74.2 Å²	74.2	43%	0.431	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-50.6	171.6	178	-107.1	0	0	0	111.3	D803 N804 F805 T809 G811 I812 L813	D803-Y807 WeakPolarHBondContact O-CB 3.34Å; D803-Y807 PolarHBondContact O-N 3.27Å; N804-Y807 WeakPolarHBondContact O-CB 3.45Å; N804-Y807 PolarHBondContact O-N 3.31Å; F805-Y807 VanDerWaalsContact C-N 3.33Å; F805-Y807 PolarHBondContact O-N 3Å; Y807-T809 PolarHBondContact O-N 2.86Å; Y807-G811 WeakPolarHBondContact O-CA 3.37Å; Y807-G811 PolarHBondContact O-N 3.36Å; Y807-I812 WeakPolarHBondContact CA-O 3.35Å; Y807-I812 WeakPolarHBondContact CB-O 3.39Å; Y807-I812 PolarHBondContact N-O 2.99Å; Y807-L813 HydrophobicContact CD2-CD2 3.51Å; Y807-L813 HydrophobicContact CD2-CG 3.87Å; Y807-L813 HydrophobicContact CE2-CD2 3.35Å; Y807-L813 HydrophobicContact CE2-CG 3.82Å; Y807-L813 HydrophobicContact CG-CD2 4.48Å
808	F	74.5	Confident	73.4	Confident	164 Å²	164	71.1 Å²	71.1	72%	0.719	36%	0.355	S	S	*	.	H	α-helix	trans	-69.4	-33.4	-179.2	-70.5	-59.5	0	0	0	113.8	N804 F805	N804-F808 HydrophobicContact CB-CD2 4.45Å; N804-F808 HydrophobicContact CB-CE2 4.22Å; N804-F808 WeakPolarHBondContact O-CD2 3.5Å; N804-F808 WeakPolarHBondContact O-CG 3.48Å; N804-F808 PolarHBondContact O-N 2.48Å; F805-F808 PolarHBondContact O-N 3.39Å
809	T	70	Confident	73.3	Confident	65 Å²	65	72.9 Å²	72.9	40%	0.399	36%	0.36	S	S	.	.	H	α-helix	trans	-89.8	-35.2	-176.9	58.2	0	0	0	0	113.9	F805 Y807	F805-T809 HydrophobicContact CD1-CG2 4.46Å; F805-T809 HydrophobicContact CD2-CG2 4.02Å; F805-T809 HydrophobicContact CE1-CG2 4.09Å; F805-T809 HydrophobicContact CE2-CG2 3.61Å; F805-T809 HydrophobicContact CG-CG2 4.43Å; F805-T809 HydrophobicContact CZ-CG2 3.66Å; F805-T809 WeakPolarHBondContact O-CG2 3.23Å; F805-T809 PolarHBondContact O-N 3.39Å; F805-T809 PolarHBondContact O-OG1 2.85Å; Y807-T809 PolarHBondContact O-N 2.86Å
810	N	71.6	Confident	73.3	Confident	92 Å²	92	77.7 Å²	77.7	49%	0.492	38%	0.384	S	S	.	.	H	α-helix	trans	-126.6	-5	-169.1	-61.6	-40.2	0	0	0	113.5	Q806 I812	Q806-N810 CarbonylContact O-C 3.55Å; Q806-N810 WeakPolarHBondContact O-CA 3.38Å; Q806-N810 WeakPolarHBondContact O-CB 3.44Å; Q806-N810 PolarHBondContact O-N 3.2Å; Q806-N810 PolarHBondContact OE1-ND2 2.95Å; N810-I812 VanDerWaalsContact C-N 3.33Å; N810-I812 HydrophobicContact CB-CD1 3.91Å; N810-I812 HydrophobicContact CB-CG1 3.96Å
811	G	69.6	Low	73.1	Confident	41 Å²	41	72.2 Å²	72.2	42%	0.423	37%	0.37	S	S	.	.			trans	75.6	19.1	-178.7	0	0	0	0	0	114.2	H599 Q806 Y807	H599-G811 PolarHBondContact CE1-O 3.4Å; H599-G811 VanDerWaalsContact CE1-O 3.23Å; Q806-G811 PolarHBondContact O-N 3.4Å; Y807-G811 WeakPolarHBondContact O-CA 3.37Å; Y807-G811 PolarHBondContact O-N 3.36Å
812	I	64.7	Low	72.8	Confident	29 Å²	29	69.2 Å²	69.2	15%	0.149	35%	0.353	C	S	.	.			trans	-95	106.4	-176.3	-55.3	175.5	0	0	0	109.8	H599 H669 Q806 Y807 N810	H599-I812 HydrophobicContact CB-CG2 3.92Å; H669-I812 VanDerWaalsContact CE1-CD1 3.45Å; H669-I812 WeakPolarHBondContact CE1-CD1 3.29Å; Q806-I812 HydrophobicContact CB-CB 4.46Å; Q806-I812 PolarHBondContact O-N 2.88Å; Y807-I812 WeakPolarHBondContact CA-O 3.35Å; Y807-I812 WeakPolarHBondContact CB-O 3.39Å; Y807-I812 PolarHBondContact N-O 2.99Å; N810-I812 VanDerWaalsContact C-N 3.33Å; N810-I812 HydrophobicContact CB-CD1 3.91Å; N810-I812 HydrophobicContact CB-CG1 3.96Å
813	L	58.7	Low	72.4	Confident	114 Å²	114	72.7 Å²	72.7	60%	0.597	38%	0.375	S	S	*	.			trans	-65.8	0	170	-71.3	165.9	0	0	0	112.7	H599 N670 Y807	H599-L813 PolarHBondContact CE1-N 3.4Å; H599-L813 PolarHBondContact ND1-N 2.99Å; H599-L813 PolarHBondContact ND1-O 3Å; N670-L813 VanDerWaalsContact CB-O 3.23Å; N670-L813 WeakPolarHBondContact CB-O 3.43Å; N670-L813 PolarHBondContact ND2-O 3.02Å; N670-L813 PolarHBondContact ND2-OXT 3.3Å; Y807-L813 HydrophobicContact CD2-CD2 3.51Å; Y807-L813 HydrophobicContact CD2-CG 3.87Å; Y807-L813 HydrophobicContact CE2-CD2 3.35Å; Y807-L813 HydrophobicContact CE2-CG 3.82Å; Y807-L813 HydrophobicContact CG-CD2 4.48Å

Retrieved 813 of 813 residues in 227.6 ms (Link to these results)

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