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Androgen receptor

Steroid hormone receptors are ligand-activated transcription factors that regulate eukaryotic gene expression and affect cellular proliferation and differentiation in target tissues. Transcription factor activity is modulated by bound coactivator and corepressor proteins like ZBTB7A that recruits NCOR1 and NCOR2 to the androgen response elements/ARE on target genes, negatively regulating androgen receptor signaling and androgen-induced cell proliferation. Transcription activation is also down-regulated by NR0B2. Activated, but not phosphorylated, by HIPK3 and ZIPK/DAPK3.

AlphaFold DB , UniProt , Accession A0A087X1B6, Species HUMAN (Homo sapiens, Human), Gene AR, Length 737 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	27.7	Very low	214 Å²	214	153.4 Å²	153.4	100%	1.054	77%	0.765	S	S	*	*				0	109.6	0	-43.7	-48.6	-100.5	0	0	106.4
2	Q	30.3	Very low	27.6	Very low	163 Å²	163	152.9 Å²	152.9	76%	0.762	78%	0.776	S	S	*	*				55.5	131	63.9	-67.5	-177	-21.2	0	0	111.5
3	L	28.8	Very low	27.4	Very low	141 Å²	141	149.2 Å²	149.2	74%	0.738	77%	0.773	S	S	*	*			cis	-111.4	161.6	11.3	-84.1	89.1	0	0	0	112.5
4	L	26.9	Very low	27.5	Very low	128 Å²	128	151.9 Å²	151.9	67%	0.67	78%	0.78	S	S	*	*				35.4	142.3	88	-55.2	104.4	0	0	0	114.4
5	Q	27.2	Very low	27.4	Very low	137 Å²	137	147.1 Å²	147.1	64%	0.64	78%	0.783	S	S	*	*			cis	-159.8	139	27	-159.3	132.5	-11.4	0	0	113.5
6	Q	27.8	Very low	27.5	Very low	126 Å²	126	145.6 Å²	145.6	59%	0.589	79%	0.788	S	S	*	*			trans	37.7	112.1	131.7	-167.2	178	5.2	0	0	121.8
7	Q	29.1	Very low	27.6	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	79%	0.789	S	S	*	*			trans	-168.7	126.5	137.1	-102.2	146.2	100.8	0	0	105.4
8	Q	25.1	Very low	27.7	Very low	131 Å²	131	142.9 Å²	142.9	61%	0.612	80%	0.795	S	S	*	*			cis	67.3	113.9	18.3	-161.8	168.4	17.5	0	0	114.6
9	Q	25.3	Very low	27.9	Very low	173 Å²	173	139.4 Å²	139.4	81%	0.808	79%	0.794	S	S	*	*			trans	65.2	98.6	170.3	-69	162.6	-61.4	0	0	117.1
10	E	26.6	Very low	28	Very low	196 Å²	196	145 Å²	145	92%	0.916	80%	0.802	S	S	*	*			trans	-103.8	129.4	141.8	-83.5	-162.9	113.7	0	0	111
11	A	25.5	Very low	28	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	80%	0.799	S	S	*	*			trans	42.5	103.4	145.6	0	0	0	0	0	120.4
12	V	25.9	Very low	28	Very low	148 Å²	148	143.8 Å²	143.8	90%	0.897	79%	0.793	S	S	*	*			trans	-75.1	133.6	140	172	0	0	0	0	108.8
13	S	26.1	Very low	27.9	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	80%	0.801	S	S	*	*			trans	-161	99.1	158.4	-158.4	0	0	0	0	107.5
14	E	27.6	Very low	28	Very low	187 Å²	187	143.2 Å²	143.2	87%	0.874	80%	0.802	S	S	*	*				75	126.1	97.2	-70.2	-107.6	117.4	0	0	113.9
15	G	26.9	Very low	28.2	Very low	81 Å²	81	143.3 Å²	143.3	84%	0.835	81%	0.813	S	S	*	*			trans	166.8	63.3	-176.2	0	0	0	0	0	114.1
16	S	28.2	Very low	28.2	Very low	123 Å²	123	140.7 Å²	140.7	86%	0.86	82%	0.823	S	S	*	*			trans	-85.4	137.3	-174.1	-178.4	0	0	0	0	114.1
17	S	29.1	Very low	28.3	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	83%	0.832	S	S	*	*			trans	-158.9	115.2	151.4	47.4	0	0	0	0	115.3
18	S	30.6	Very low	28.5	Very low	129 Å²	129	136.5 Å²	136.5	90%	0.902	83%	0.831	S	S	*	*			trans	38.4	119.3	143.7	-155.4	0	0	0	0	122.6
19	G	30.5	Very low	28.7	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	84%	0.841	S	S	*	*			trans	-164.8	137.5	156.6	0	0	0	0	0	110.1
20	R	29.5	Very low	28.8	Very low	252 Å²	252	133.5 Å²	133.5	95%	0.951	84%	0.838	S	S	*	*			trans	-137.7	163.5	-166.5	-129	-176.8	-174	-175.2	3.2	113.5
21	A	29.8	Very low	28.9	Very low	90 Å²	90	129.6 Å²	129.6	74%	0.744	83%	0.832	S	S	*	*			trans	77.5	123.6	-176.2	0	0	0	0	0	114.3
22	R	30.8	Very low	29.1	Very low	244 Å²	244	133 Å²	133	92%	0.921	83%	0.829	S	S	*	*			cis	78.5	103	46.9	-76.2	-170.9	168.7	-175.3	-3.6	113.9
23	E	29.6	Very low	29.1	Very low	202 Å²	202	131.5 Å²	131.5	94%	0.944	82%	0.817	S	S	*	*				-159.5	-176.9	103	-105.8	179.6	155.1	0	0	110.4
24	A	30.9	Very low	29.2	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	82%	0.82	S	S	*	*			trans	-148.7	170	-153.3	0	0	0	0	0	116.4
25	S	29.1	Very low	29.2	Very low	129 Å²	129	136 Å²	136	90%	0.902	82%	0.822	S	S	*	*			trans	79.6	113.7	158.6	-57.2	0	0	0	0	118.9
26	G	27.6	Very low	29.4	Very low	83 Å²	83	140.6 Å²	140.6	86%	0.856	83%	0.827	S	S	*	*			trans	-171.7	98.6	165.4	0	0	0	0	0	110.4
27	A	30.3	Very low	29.6	Very low	95 Å²	95	138.8 Å²	138.8	79%	0.785	83%	0.827	S	S	*	*			trans	-105.3	141.5	-174.2	0	0	0	0	0	112.3
28	P	33.1	Very low	29.4	Very low	129 Å²	129	137.1 Å²	137.1	84%	0.838	83%	0.829	S	S	*	*			trans	-97.3	136.3	168.4	34.9	-29.7	0	0	0	112
29	T	29.8	Very low	29.4	Very low	134 Å²	134	137.3 Å²	137.3	82%	0.822	82%	0.824	S	S	*	*			trans	-117.7	122.1	178.8	43.6	0	0	0	0	113.2
30	S	27.6	Very low	29.6	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	83%	0.828	S	S	*	*			trans	43.3	105.8	143.5	-179.8	0	0	0	0	121.1
31	S	28.2	Very low	30.2	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	82%	0.819	S	S	*	*				-154.3	121.8	112.4	-152.4	0	0	0	0	106.8
32	K	29.9	Very low	30.9	Very low	163 Å²	163	134.7 Å²	134.7	71%	0.709	81%	0.812	S	S	*	*			cis	70.3	98	42.8	-151.7	-151	174.2	-164.6	0	112.4
33	D	26.6	Very low	32.5	Very low	118 Å²	118	126.5 Å²	126.5	63%	0.631	79%	0.792	S	S	*	*				-168.1	153.1	104.3	-97.3	-17.6	0	0	0	114.2
34	N	27.4	Very low	33.3	Very low	147 Å²	147	121.7 Å²	121.7	79%	0.786	77%	0.773	S	S	*	*			trans	53.9	91.9	155	-58.6	-25.8	0	0	0	122.1
35	Y	26.7	Very low	34.4	Very low	237 Å²	237	123.6 Å²	123.6	93%	0.929	77%	0.771	S	S	*	*			trans	-80.7	131.9	142.1	-103.7	-105.7	0	0	0	110.1
36	L	31.9	Very low	35.3	Very low	179 Å²	179	119 Å²	119	94%	0.937	74%	0.741	S	S	*	*			trans	-161.2	137.1	147.5	-93.8	-165.8	0	0	0	112.4
37	G	32	Very low	36.3	Very low	84 Å²	84	119.2 Å²	119.2	87%	0.866	72%	0.718	S	S	*	*			trans	59.3	98.5	146.8	0	0	0	0	0	120
38	G	25.2	Very low	37.7	Very low	80 Å²	80	119.4 Å²	119.4	83%	0.825	70%	0.703	S	S	*	*			trans	-149.7	72.3	168.9	0	0	0	0	0	113.2	S40	G38-S40 PolarHBondContact O-N 3.47Å
39	T	31.5	Very low	38.8	Very low	132 Å²	132	118.5 Å²	118.5	81%	0.81	69%	0.69	S	S	*	*			trans	-72.6	117.8	174.2	47.7	0	0	0	0	110.9	T41	T39-T41 PolarHBondContact O-N 3.44Å
40	S	33.8	Very low	39.6	Very low	122 Å²	122	116.1 Å²	116.1	85%	0.853	68%	0.678	S	S	*	*			trans	-72.7	95.7	179.2	58.1	0	0	0	0	112.1	G38	G38-S40 PolarHBondContact O-N 3.47Å
41	T	43	Very low	40.9	Very low	123 Å²	123	115.7 Å²	115.7	76%	0.755	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-69.6	131.2	168.8	50	0	0	0	0	110.6	T39 S43	T39-T41 PolarHBondContact O-N 3.44Å; T41-S43 PolarHBondContact O-N 3.07Å
42	I	43.4	Very low	42.1	Very low	117 Å²	117	113 Å²	113	60%	0.6	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-58.6	131.7	171.4	-63.8	175.4	0	0	0	109	A46 K47	I42-A46 HydrophobicContact CG2-CB 3.75Å; I42-K47 HydrophobicContact CG2-CG 4.08Å; I42-K47 WeakPolarHBondContact O-CE 3.44Å; I42-K47 PolarHBondContact O-NZ 3.27Å
43	S	64	Low	43.2	Very low	73 Å²	73	108.5 Å²	108.5	51%	0.51	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-68	148.1	178.6	59.1	0	0	0	0	111.8	T41 N45 A46 K47	T41-S43 PolarHBondContact O-N 3.07Å; S43-N45 VanDerWaalsContact C-N 3.29Å; S43-N45 PolarHBondContact O-N 3.31Å; S43-A46 WeakPolarHBondContact O-CB 3.4Å; S43-A46 PolarHBondContact O-N 3.38Å; S43-K47 PolarHBondContact O-N 3.28Å
44	D	46.9	Very low	44.5	Very low	100 Å²	100	104.9 Å²	104.9	54%	0.535	62%	0.617	S	S	.	*	H	α-helix	trans	-64.7	-32.5	-174.1	-58.8	-69.2	0	0	0	112.8	A46 K47 E48	D44-A46 VanDerWaalsContact C-N 3.26Å; D44-A46 PolarHBondContact O-N 3.32Å; D44-K47 WeakPolarHBondContact O-CA 2.88Å; D44-K47 WeakPolarHBondContact O-CB 3.47Å; D44-K47 PolarHBondContact O-N 3.35Å; D44-K47 WeakPolarHBondContact OD1-CD 3.41Å; D44-K47 WeakPolarHBondContact OD1-CE 3.13Å; D44-K47 IonicContact OD1-NZ 2.8Å; D44-K47 PolarHBondContact OD1-NZ 3.15Å; D44-E48 PolarHBondContact O-N 3.11Å
45	N	53.9	Low	45.9	Very low	130 Å²	130	102.5 Å²	102.5	70%	0.695	61%	0.608	S	S	*	*	H	α-helix	trans	-55.4	-39.1	170	-65.7	37.4	0	0	0	112.6	S43 L49	S43-N45 VanDerWaalsContact C-N 3.29Å; S43-N45 PolarHBondContact O-N 3.31Å; N45-L49 WeakPolarHBondContact O-CB 3.09Å; N45-L49 VanDerWaalsContact O-CG 3.3Å; N45-L49 WeakPolarHBondContact O-CG 3.5Å; N45-L49 PolarHBondContact O-N 2.95Å
46	A	48.9	Very low	46.6	Very low	34 Å²	34	94.5 Å²	94.5	28%	0.281	59%	0.587	S	S	.	*	H	α-helix	trans	-72.3	-33.3	177.1	0	0	0	0	0	111.9	I42 S43 D44 C50	I42-A46 HydrophobicContact CG2-CB 3.75Å; S43-A46 WeakPolarHBondContact O-CB 3.4Å; S43-A46 PolarHBondContact O-N 3.38Å; D44-A46 VanDerWaalsContact C-N 3.26Å; D44-A46 PolarHBondContact O-N 3.32Å; A46-C50 PolarHBondContact O-N 2.9Å; A46-C50 PolarHBondContact O-SG 3.09Å; A46-C50 VanDerWaalsContact O-SG 3.38Å
47	K	47.8	Very low	47.3	Very low	86 Å²	86	92.2 Å²	92.2	37%	0.374	57%	0.573	S	S	.	*	H	α-helix	trans	-65.1	-45.6	173	-57.9	174.1	-163.4	157.2	0	111.1	I42 S43 D44 C50 K51	I42-K47 HydrophobicContact CG2-CG 4.08Å; I42-K47 WeakPolarHBondContact O-CE 3.44Å; I42-K47 PolarHBondContact O-NZ 3.27Å; S43-K47 PolarHBondContact O-N 3.28Å; D44-K47 WeakPolarHBondContact O-CA 2.88Å; D44-K47 WeakPolarHBondContact O-CB 3.47Å; D44-K47 PolarHBondContact O-N 3.35Å; D44-K47 WeakPolarHBondContact OD1-CD 3.41Å; D44-K47 WeakPolarHBondContact OD1-CE 3.13Å; D44-K47 IonicContact OD1-NZ 2.8Å; D44-K47 PolarHBondContact OD1-NZ 3.15Å; K47-C50 PolarHBondContact O-N 3.15Å; K47-K51 WeakPolarHBondContact O-CG 3.43Å; K47-K51 PolarHBondContact O-N 2.91Å
48	E	60.8	Low	47.6	Very low	99 Å²	99	91.4 Å²	91.4	46%	0.463	56%	0.564	S	S	.	*	H	α-helix	trans	-66.5	-37.3	178	-64.2	-46.5	123.6	0	0	112.4	D44 K51 A52	D44-E48 PolarHBondContact O-N 3.11Å; E48-K51 PolarHBondContact O-N 3.48Å; E48-K51 WeakPolarHBondContact OE1-CD 3.28Å; E48-K51 WeakPolarHBondContact OE1-CE 3.38Å; E48-K51 IonicContact OE1-NZ 3.81Å; E48-K51 PolarHBondContact OE1-NZ 2.97Å; E48-K51 WeakPolarHBondContact OE2-CD 3.09Å; E48-K51 IonicContact OE2-NZ 3.31Å; E48-A52 WeakPolarHBondContact O-CB 3.32Å; E48-A52 PolarHBondContact O-N 3.34Å
49	L	54.6	Low	48.7	Very low	110 Å²	110	92.3 Å²	92.3	58%	0.576	55%	0.55	S	S	*	.	H	α-helix	trans	-61.3	-44.9	170.3	-74.8	169.2	0	0	0	111.8	N45 K51 A52 V53	N45-L49 WeakPolarHBondContact O-CB 3.09Å; N45-L49 VanDerWaalsContact O-CG 3.3Å; N45-L49 WeakPolarHBondContact O-CG 3.5Å; N45-L49 PolarHBondContact O-N 2.95Å; L49-K51 PolarHBondContact O-N 2.82Å; L49-A52 PolarHBondContact O-N 3.49Å; L49-V53 WeakPolarHBondContact O-CG2 3.32Å; L49-V53 PolarHBondContact O-N 3.41Å
50	C	47.7	Very low	49	Very low	85 Å²	85	89.6 Å²	89.6	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-63.3	-39.7	175.4	-73.7	0	0	0	0	112.6	A46 K47 S54	A46-C50 PolarHBondContact O-N 2.9Å; A46-C50 PolarHBondContact O-SG 3.09Å; A46-C50 VanDerWaalsContact O-SG 3.38Å; K47-C50 PolarHBondContact O-N 3.15Å; C50-S54 WeakPolarHBondContact O-CB 3.49Å; C50-S54 PolarHBondContact O-N 3.33Å; C50-S54 PolarHBondContact O-OG 3.27Å
51	K	55.1	Low	49.8	Very low	98 Å²	98	88 Å²	88	43%	0.426	53%	0.533	S	S	.	.	H	α-helix	trans	-61.6	-49.5	172.9	-73.2	170.4	179.4	175.9	0	111.4	K47 E48 L49 V53 S54 V55	K47-K51 WeakPolarHBondContact O-CG 3.43Å; K47-K51 PolarHBondContact O-N 2.91Å; E48-K51 PolarHBondContact O-N 3.48Å; E48-K51 WeakPolarHBondContact OE1-CD 3.28Å; E48-K51 WeakPolarHBondContact OE1-CE 3.38Å; E48-K51 IonicContact OE1-NZ 3.81Å; E48-K51 PolarHBondContact OE1-NZ 2.97Å; E48-K51 WeakPolarHBondContact OE2-CD 3.09Å; E48-K51 IonicContact OE2-NZ 3.31Å; L49-K51 PolarHBondContact O-N 2.82Å; K51-V53 VanDerWaalsContact C-N 3.31Å; K51-V53 PolarHBondContact O-N 3.34Å; K51-S54 PolarHBondContact O-N 3.09Å; K51-V55 WeakPolarHBondContact O-CG2 3.17Å; K51-V55 PolarHBondContact O-N 3.01Å
52	A	53.3	Low	49.6	Very low	55 Å²	55	91.4 Å²	91.4	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-60.4	-38.8	-179.9	0	0	0	0	0	112.5	E48 L49 S56	E48-A52 WeakPolarHBondContact O-CB 3.32Å; E48-A52 PolarHBondContact O-N 3.34Å; L49-A52 PolarHBondContact O-N 3.49Å; A52-S56 VanDerWaalsContact O-CB 3.26Å; A52-S56 WeakPolarHBondContact O-CB 3.38Å; A52-S56 PolarHBondContact O-N 2.88Å; A52-S56 PolarHBondContact O-OG 3.24Å
53	V	51.9	Low	49.5	Very low	70 Å²	70	90.3 Å²	90.3	42%	0.424	55%	0.549	S	S	.	.	H	α-helix	trans	-65.6	-49.2	173.1	170.4	0	0	0	0	111.2	L49 K51 V55 S56 M57	L49-V53 WeakPolarHBondContact O-CG2 3.32Å; L49-V53 PolarHBondContact O-N 3.41Å; K51-V53 VanDerWaalsContact C-N 3.31Å; K51-V53 PolarHBondContact O-N 3.34Å; V53-V55 PolarHBondContact O-N 3.15Å; V53-S56 PolarHBondContact O-N 3.37Å; V53-S56 VanDerWaalsContact O-N 3.17Å; V53-M57 HydrophobicContact CG1-CG 4.49Å; V53-M57 HydrophobicContact CG1-SD 3.94Å; V53-M57 WeakPolarHBondContact O-CG 3.42Å; V53-M57 PolarHBondContact O-N 2.87Å
54	S	55.3	Low	48.3	Very low	41 Å²	41	94.5 Å²	94.5	29%	0.287	56%	0.564	S	S	.	*	H	α-helix	trans	-57.9	-45.9	178.5	-64.2	0	0	0	0	112.6	C50 K51 M57 G58 L59	C50-S54 WeakPolarHBondContact O-CB 3.49Å; C50-S54 PolarHBondContact O-N 3.33Å; C50-S54 PolarHBondContact O-OG 3.27Å; K51-S54 PolarHBondContact O-N 3.09Å; S54-M57 PolarHBondContact O-N 3.27Å; S54-G58 PolarHBondContact O-N 2.71Å; S54-L59 PolarHBondContact O-N 3.35Å
55	V	55.5	Low	47.6	Very low	98 Å²	98	98.5 Å²	98.5	59%	0.594	58%	0.58	S	S	*	*	H	α-helix	trans	-63.2	-42.5	175.6	172.3	0	0	0	0	111.2	K51 V53 M57 G58 V61	K51-V55 WeakPolarHBondContact O-CG2 3.17Å; K51-V55 PolarHBondContact O-N 3.01Å; V53-V55 PolarHBondContact O-N 3.15Å; V55-M57 VanDerWaalsContact C-N 3.28Å; V55-M57 PolarHBondContact O-N 2.87Å; V55-G58 PolarHBondContact O-N 3.45Å; V55-V61 HydrophobicContact CG2-CG2 4.11Å
56	S	41.5	Very low	46.8	Very low	69 Å²	69	100.8 Å²	100.8	48%	0.483	59%	0.586	S	S	.	*	H	α-helix	trans	-65.7	-29.6	177.6	-62.9	0	0	0	0	113.6	A52 V53 K728	A52-S56 VanDerWaalsContact O-CB 3.26Å; A52-S56 WeakPolarHBondContact O-CB 3.38Å; A52-S56 PolarHBondContact O-N 2.88Å; A52-S56 PolarHBondContact O-OG 3.24Å; V53-S56 PolarHBondContact O-N 3.37Å; V53-S56 VanDerWaalsContact O-N 3.17Å; S56-K728 PolarHBondContact O-NZ 2.83Å
57	M	48.1	Very low	45.8	Very low	131 Å²	131	107.1 Å²	107.1	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-81.1	-14.8	173.4	-70.2	-177.4	70.9	0	0	113.4	V53 S54 V55 L59	V53-M57 HydrophobicContact CG1-CG 4.49Å; V53-M57 HydrophobicContact CG1-SD 3.94Å; V53-M57 WeakPolarHBondContact O-CG 3.42Å; V53-M57 PolarHBondContact O-N 2.87Å; S54-M57 PolarHBondContact O-N 3.27Å; V55-M57 VanDerWaalsContact C-N 3.28Å; V55-M57 PolarHBondContact O-N 2.87Å; M57-L59 HydrophobicContact CB-CD1 4.32Å; M57-L59 HydrophobicContact CB-CG 4.13Å
58	G	37	Very low	44.9	Very low	66 Å²	66	108.7 Å²	108.7	68%	0.68	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.4	26.1	-177.9	0	0	0	0	0	113.9	S54 V55	S54-G58 PolarHBondContact O-N 2.71Å; V55-G58 PolarHBondContact O-N 3.45Å
59	L	49.3	Very low	43.6	Very low	100 Å²	100	110.5 Å²	110.5	52%	0.524	66%	0.656	S	S	.	*			trans	-87.5	132.2	175.3	-59.2	176.6	0	0	0	109.7	S54 M57	S54-L59 PolarHBondContact O-N 3.35Å; M57-L59 HydrophobicContact CB-CD1 4.32Å; M57-L59 HydrophobicContact CB-CG 4.13Å
60	G	36.9	Very low	42.6	Very low	75 Å²	75	108.9 Å²	108.9	77%	0.773	67%	0.666	S	S	*	*			trans	-66.4	130.2	179.6	0	0	0	0	0	112	E62	G60-E62 VanDerWaalsContact C-N 3.26Å; G60-E62 PolarHBondContact O-N 2.97Å; G60-E62 VanDerWaalsContact O-N 3.15Å
61	V	50.1	Low	41.7	Very low	88 Å²	88	114.5 Å²	114.5	53%	0.533	68%	0.684	S	S	.	*			trans	-91.2	56.2	-176.5	-166.8	0	0	0	0	110.5	V55	V55-V61 HydrophobicContact CG2-CG2 4.11Å
62	E	40.6	Very low	40.6	Very low	195 Å²	195	118.8 Å²	118.8	91%	0.911	71%	0.705	S	S	*	*			trans	-125.5	56	179.5	-68.5	-170.5	159	0	0	111	G60	G60-E62 VanDerWaalsContact C-N 3.26Å; G60-E62 PolarHBondContact O-N 2.97Å; G60-E62 VanDerWaalsContact O-N 3.15Å
63	A	40.3	Very low	39.5	Very low	94 Å²	94	124.3 Å²	124.3	78%	0.777	73%	0.727	S	S	*	*	S	Bend	trans	-152.4	12	-179.8	0	0	0	0	0	115.4
64	L	37.8	Very low	38.2	Very low	161 Å²	161	132.5 Å²	132.5	84%	0.843	75%	0.75	S	S	*	*	S	Bend	trans	-143.3	27.3	-169.4	-145.6	78.7	0	0	0	116.6
65	E	32.4	Very low	36.9	Very low	183 Å²	183	133.6 Å²	133.6	86%	0.855	77%	0.767	S	S	*	*	S	Bend	trans	-111.4	2.8	175.2	-62.3	-155.6	136.9	0	0	114.4
66	H	37	Very low	35.6	Very low	179 Å²	179	136.9 Å²	136.9	83%	0.829	78%	0.782	S	S	*	*			trans	-127.5	65.2	-174.9	-67.9	-14.8	0	0	0	113.4
67	L	29.1	Very low	34.9	Very low	167 Å²	167	139.8 Å²	139.8	87%	0.874	80%	0.8	S	S	*	*			trans	-137.2	99.7	160.6	-74.2	178	0	0	0	110.3
68	S	27.8	Very low	34.1	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	81%	0.812	S	S	*	*			trans	-87.6	153.1	161.9	-79	0	0	0	0	110.1
69	P	33.9	Very low	33.6	Very low	137 Å²	137	150.5 Å²	150.5	89%	0.89	83%	0.825	S	S	*	*	S	Bend	trans	-82.8	124.1	-166.1	31.2	-34.7	0	0	0	113.1
70	G	34.7	Very low	32.8	Very low	76 Å²	76	149.6 Å²	149.6	78%	0.784	83%	0.832	S	S	*	*			trans	143.8	75	158.9	0	0	0	0	0	116.7
71	E	27.1	Very low	32.8	Very low	203 Å²	203	152.1 Å²	152.1	95%	0.949	83%	0.834	S	S	*	*			trans	-152.8	148.8	146.4	-123.2	169.7	-166.3	0	0	110.3
72	Q	32.4	Very low	32.1	Very low	188 Å²	188	155.7 Å²	155.7	88%	0.879	85%	0.85	S	S	*	*			trans	-136.3	101.8	-160.4	-175.6	175.7	2	0	0	111.7
73	L	29.9	Very low	31.5	Very low	172 Å²	172	155.4 Å²	155.4	90%	0.901	85%	0.853	S	S	*	*			trans	-127.3	139.7	173.6	-74.3	175	0	0	0	113
74	R	25.8	Very low	30.8	Very low	242 Å²	242	154.3 Å²	154.3	91%	0.913	85%	0.852	S	S	*	*			trans	-41.3	155.1	160.3	-60	165.9	169.9	-166.9	-4.9	111.7
75	G	27.3	Very low	30.1	Very low	63 Å²	63	153.4 Å²	153.4	65%	0.649	85%	0.852	S	S	*	*			cis	136.9	169.2	10.8	0	0	0	0	0	110.3
76	D	27.6	Very low	31.4	Very low	168 Å²	168	149.8 Å²	149.8	90%	0.898	85%	0.845	S	S	*	*			trans	69.1	165.5	179.1	-54.8	-35.2	0	0	0	117.1
77	C	27.7	Very low	31.5	Very low	129 Å²	129	147 Å²	147	87%	0.872	84%	0.842	S	S	*	*			trans	-111.5	170.1	-150	-69	0	0	0	0	115.1
78	M	31	Very low	31.5	Very low	181 Å²	181	143.1 Å²	143.1	89%	0.892	83%	0.834	S	S	*	*			trans	-54.7	135.3	170.3	-59.6	-146	-60.4	0	0	113.3
79	Y	27.4	Very low	31.5	Very low	241 Å²	241	144.3 Å²	144.3	95%	0.945	84%	0.836	S	S	*	*			trans	-159.8	156	135.7	-126.2	-92.2	0	0	0	111.1
80	A	31.6	Very low	31	Very low	82 Å²	82	148.8 Å²	148.8	68%	0.678	84%	0.836	S	S	*	*			trans	-97.5	-178.4	178.1	0	0	0	0	0	110.4
81	P	37.4	Very low	31.1	Very low	127 Å²	127	151 Å²	151	83%	0.825	84%	0.836	S	S	*	*			cis	-146.5	-162.6	25.1	44.7	-22.6	0	0	0	116.9
82	L	34.6	Very low	30.8	Very low	164 Å²	164	147.1 Å²	147.1	86%	0.859	83%	0.826	S	S	*	*			trans	-81.8	150.6	170	-66.5	165.2	0	0	0	113.1
83	L	28.3	Very low	31	Very low	188 Å²	188	144.1 Å²	144.1	98%	0.984	82%	0.823	S	S	*	*			trans	179.1	150.3	143.4	-101.9	175.9	0	0	0	111.9
84	G	25.4	Very low	30.6	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	82%	0.818	S	S	*	*			trans	132.9	108.8	160.6	0	0	0	0	0	118.5
85	V	23.8	Very low	30.7	Very low	141 Å²	141	134.6 Å²	134.6	86%	0.855	81%	0.812	S	S	*	*			trans	-163.5	157	-179.5	175.1	0	0	0	0	108
86	P	59.5	Low	31.4	Very low	108 Å²	108	137 Å²	137	70%	0.701	82%	0.817	S	S	*	*			cis	-116.9	-156.9	-24.5	38.3	-18.4	0	0	0	111.2
87	P	39.3	Very low	31.2	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	82%	0.817	S	S	*	*				-126.1	138.5	66.7	8.8	15.8	0	0	0	113.5
88	A	29.7	Very low	31.3	Very low	85 Å²	85	135.4 Å²	135.4	70%	0.702	81%	0.811	S	S	*	*				68.4	149.9	90.2	0	0	0	0	0	114.4
89	V	27.9	Very low	31	Very low	143 Å²	143	136.1 Å²	136.1	87%	0.867	81%	0.812	S	S	*	*			cis	-136.9	-156.4	27.3	-178.8	0	0	0	0	111.3
90	R	22.2	Very low	30.9	Very low	232 Å²	232	130 Å²	130	88%	0.875	80%	0.804	S	S	*	*			trans	-99.6	175	-174.1	-76.9	179.3	176.3	177.4	-1.2	113.6
91	P	37	Very low	30.5	Very low	121 Å²	121	136 Å²	136	79%	0.786	82%	0.815	S	S	*	*			cis	-134.2	177.3	15	33.4	-10.4	0	0	0	119.6
92	T	21.4	Very low	29.9	Very low	123 Å²	123	133.5 Å²	133.5	76%	0.755	81%	0.811	S	S	*	*			trans	-61.5	171.4	175.9	41.4	0	0	0	0	116.5
93	P	35.7	Very low	29.4	Very low	125 Å²	125	131 Å²	131	81%	0.812	81%	0.807	S	S	*	*			cis	-137	-159.2	26.2	42.8	-22.2	0	0	0	117.2
94	C	23.1	Very low	29.3	Very low	118 Å²	118	128.6 Å²	128.6	80%	0.797	80%	0.795	S	S	*	*			trans	-113.3	178.9	-157	-47.7	0	0	0	0	115.7
95	A	26.2	Very low	29.4	Very low	95 Å²	95	132 Å²	132	79%	0.785	80%	0.796	S	S	*	*			trans	90.8	169.9	152.2	0	0	0	0	0	116.5
96	P	42.8	Very low	29.5	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	79%	0.789	S	S	*	*				-141	-150.4	-112	40.4	-16.6	0	0	0	114.1
97	L	23	Very low	28	Very low	171 Å²	171	132.9 Å²	132.9	90%	0.895	79%	0.789	S	S	*	*			trans	81.8	151.9	168.8	-78.9	160.1	0	0	0	117.6
98	A	31	Very low	27.3	Very low	92 Å²	92	132.4 Å²	132.4	76%	0.76	79%	0.789	S	S	*	*			trans	-102	160.7	-166.1	0	0	0	0	0	112.2
99	E	23.8	Very low	27.2	Very low	195 Å²	195	133.5 Å²	133.5	91%	0.911	80%	0.798	S	S	*	*			trans	-151.8	170.7	149.1	-129.5	175.5	-147.7	0	0	112.4
100	C	24.8	Very low	27.2	Very low	113 Å²	113	130.3 Å²	130.3	76%	0.764	79%	0.794	S	S	*	*			trans	-100.9	152.3	-163	-55.4	0	0	0	0	113.8
101	K	24.8	Very low	27.6	Very low	209 Å²	209	127.8 Å²	127.8	91%	0.909	79%	0.789	S	S	*	*				176	123.2	119.4	-97.4	160.5	-178.5	172.4	0	115.9
102	G	24.1	Very low	27.1	Very low	73 Å²	73	127 Å²	127	75%	0.753	79%	0.787	S	S	*	*				49.4	127.1	119.9	0	0	0	0	0	123.2
103	S	24.5	Very low	27.5	Very low	111 Å²	111	126.7 Å²	126.7	78%	0.776	79%	0.785	S	S	*	*			trans	-178.4	157.8	145.6	-80.8	0	0	0	0	109.7
104	L	25.1	Very low	27.2	Very low	139 Å²	139	127.8 Å²	127.8	73%	0.728	78%	0.779	S	S	*	*			cis	-171.5	128.1	-30.8	-109.6	166.9	0	0	0	106.7
105	L	28	Very low	27.4	Very low	144 Å²	144	129.7 Å²	129.7	75%	0.754	78%	0.782	S	S	*	*			trans	63.4	159	157	-51.9	-178.2	0	0	0	118.2
106	D	26.9	Very low	27.6	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	78%	0.783	S	S	*	*			cis	-151.6	179.1	-8.8	-134.9	-42.7	0	0	0	113.2
107	D	26.3	Very low	27.1	Very low	134 Å²	134	130.1 Å²	130.1	72%	0.717	78%	0.782	S	S	*	*			trans	112.6	141.3	133.7	-127.7	-49	0	0	0	121.6
108	S	26	Very low	27.2	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	78%	0.784	S	S	*	*			trans	70.5	82.6	153.5	-73.7	0	0	0	0	120.5
109	A	27.3	Very low	27	Very low	109 Å²	109	137.6 Å²	137.6	90%	0.901	79%	0.788	S	S	*	*			trans	-55.7	167.3	161.2	0	0	0	0	0	116.8
110	G	28	Very low	27.2	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	78%	0.775	S	S	*	*			trans	174	94.7	162.2	0	0	0	0	0	116.3
111	K	30.1	Very low	28.1	Very low	179 Å²	179	132.7 Å²	132.7	78%	0.778	77%	0.774	S	S	*	*			trans	-42.7	145.1	175.9	-75.6	-179.6	167.8	-167.4	0	114.6
112	S	26.2	Very low	28.2	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	77%	0.773	S	S	*	*				178	164	83.3	35.9	0	0	0	0	110.2
113	T	29.8	Very low	28.7	Very low	117 Å²	117	139 Å²	139	72%	0.718	78%	0.781	S	S	*	*			cis	-171.3	154.3	-8	24.9	0	0	0	0	107
114	E	29.7	Very low	28.8	Very low	147 Å²	147	137.5 Å²	137.5	69%	0.687	78%	0.784	S	S	*	*			cis	-160.4	-130	-18.7	-149.7	83	-39.3	0	0	106.3
115	D	26.3	Very low	28.8	Very low	159 Å²	159	134 Å²	134	85%	0.85	78%	0.782	S	S	*	*			trans	75.1	157.9	168.5	-102	-34.6	0	0	0	122.4
116	T	31.1	Very low	28.7	Very low	131 Å²	131	137.8 Å²	137.8	80%	0.804	79%	0.787	S	S	*	*				-129	157.5	-127.6	-46.9	0	0	0	0	117.5
117	A	31.8	Very low	28.9	Very low	88 Å²	88	137.6 Å²	137.6	73%	0.727	79%	0.791	S	S	*	*			trans	-58.1	164.7	-173	0	0	0	0	0	119.6
118	E	25.4	Very low	29.1	Very low	202 Å²	202	141.3 Å²	141.3	94%	0.944	80%	0.801	S	S	*	*				-161.4	-167.6	119.9	-114.3	-175	-170	0	0	114
119	Y	27.1	Very low	29.3	Very low	217 Å²	217	139 Å²	139	85%	0.851	79%	0.794	S	S	*	*			trans	-137.8	175.6	-146.8	-176.1	-100	0	0	0	116
120	S	27.8	Very low	29.6	Very low	91 Å²	91	142 Å²	142	64%	0.636	80%	0.795	S	S	*	*			trans	82.8	147.4	168.2	-125.7	0	0	0	0	117.1
121	P	44.6	Very low	29.5	Very low	115 Å²	115	148.1 Å²	148.1	75%	0.747	80%	0.803	S	S	*	*				-148.8	160.3	79.1	40.5	-23.7	0	0	0	117.5
122	F	27.1	Very low	29.4	Very low	203 Å²	203	143.2 Å²	143.2	89%	0.89	80%	0.803	S	S	*	*			trans	-170.8	132.8	160.4	-125.4	-72.2	0	0	0	114.2
123	K	33.7	Very low	29.7	Very low	210 Å²	210	147.1 Å²	147.1	91%	0.913	81%	0.81	S	S	*	*			trans	-173.3	142.1	146.2	-131.7	176.3	-178.4	175.6	0	117.3
124	G	26.1	Very low	29.8	Very low	81 Å²	81	145.6 Å²	145.6	84%	0.835	80%	0.804	S	S	*	*			trans	99.2	132.9	151.9	0	0	0	0	0	117.8
125	G	25.2	Very low	29.7	Very low	66 Å²	66	147 Å²	147	68%	0.68	82%	0.815	S	S	*	*			cis	173.2	144.6	-12.1	0	0	0	0	0	115.1
126	Y	26.8	Very low	29.7	Very low	223 Å²	223	142.8 Å²	142.8	88%	0.875	81%	0.81	S	S	*	*			trans	45.6	128.2	162.8	-51.4	-74.6	0	0	0	121.6
127	T	30.7	Very low	29.4	Very low	127 Å²	127	142.9 Å²	142.9	78%	0.779	81%	0.814	S	S	*	*			cis	98.9	94.1	7.8	80.1	0	0	0	0	120.4
128	K	29.5	Very low	29.1	Very low	212 Å²	212	145 Å²	145	92%	0.922	82%	0.824	S	S	*	*			trans	-155.2	144.8	151	-87.1	-172	174.9	-176.8	0	107.6
129	G	30.1	Very low	29.2	Very low	62 Å²	62	138.7 Å²	138.7	64%	0.639	81%	0.813	S	S	*	*			cis	111.9	133.2	2.5	0	0	0	0	0	112.4
130	L	34.2	Very low	29.2	Very low	173 Å²	173	134.7 Å²	134.7	91%	0.906	82%	0.816	S	S	*	*			cis	-157.2	174.3	5.2	-64.4	170.7	0	0	0	110.2
131	E	26.3	Very low	29.1	Very low	203 Å²	203	135.1 Å²	135.1	95%	0.949	83%	0.825	S	S	*	*			trans	147.1	147.5	141.1	-82	-169	172.8	0	0	116.2
132	G	27.4	Very low	28.4	Very low	76 Å²	76	134.2 Å²	134.2	78%	0.784	83%	0.828	S	S	*	*			trans	114.6	128.3	150.8	0	0	0	0	0	119.9
133	E	33.9	Very low	28.4	Very low	187 Å²	187	129.9 Å²	129.9	87%	0.874	83%	0.83	S	S	*	*			trans	-145.2	-169.6	167.1	-59.7	-169.4	25.1	0	0	110.1
134	S	31.3	Very low	28.1	Very low	85 Å²	85	123.8 Å²	123.8	59%	0.594	83%	0.827	S	S	*	*			cis	-161.4	-163.2	5.3	-150.5	0	0	0	0	111.1
135	L	26.7	Very low	28.1	Very low	175 Å²	175	125.8 Å²	125.8	92%	0.916	83%	0.828	S	S	*	*			trans	76.5	148.5	170.2	-49.1	169.1	0	0	0	116.3
136	G	26.4	Very low	28.3	Very low	72 Å²	72	128.6 Å²	128.6	74%	0.742	84%	0.837	S	S	*	*			cis	-175.9	166.3	-3.5	0	0	0	0	0	112.4
137	C	24.9	Very low	28.2	Very low	132 Å²	132	121.1 Å²	121.1	89%	0.892	83%	0.828	S	S	*	*			trans	-110.1	150.1	-163.7	-55.2	0	0	0	0	116.4
138	S	27	Very low	28.1	Very low	134 Å²	134	121 Å²	121	94%	0.937	83%	0.827	S	S	*	*			trans	-178.8	156.2	148.4	-82.9	0	0	0	0	113
139	G	25.8	Very low	27.9	Very low	69 Å²	69	118 Å²	118	71%	0.711	82%	0.82	S	S	*	*			cis	150.2	34	-18.2	0	0	0	0	0	121
140	S	27.2	Very low	27.7	Very low	132 Å²	132	124 Å²	124	92%	0.923	83%	0.832	S	S	*	*			trans	-159.9	174.7	176	-89.6	0	0	0	0	116.8
141	A	26.5	Very low	27.6	Very low	100 Å²	100	122.9 Å²	122.9	83%	0.826	83%	0.826	S	S	*	*			trans	-147.9	179.5	-162.5	0	0	0	0	0	115.7
142	A	29.6	Very low	28.1	Very low	97 Å²	97	118 Å²	118	80%	0.802	81%	0.812	S	S	*	*			trans	78.3	118.6	155.7	0	0	0	0	0	121.9
143	A	28	Very low	28.2	Very low	112 Å²	112	119.2 Å²	119.2	93%	0.926	81%	0.808	S	S	*	*			trans	40.6	127.7	134.9	0	0	0	0	0	122.8
144	G	26.1	Very low	28.2	Very low	82 Å²	82	116.3 Å²	116.3	85%	0.845	80%	0.803	S	S	*	*			trans	-167.3	145	160.4	0	0	0	0	0	110.8
145	S	26.3	Very low	28	Very low	123 Å²	123	119.3 Å²	119.3	86%	0.86	81%	0.812	S	S	*	*			trans	-133.6	155.9	-171.1	59.8	0	0	0	0	114.5
146	S	28.7	Very low	28	Very low	124 Å²	124	115.3 Å²	115.3	87%	0.867	80%	0.799	S	S	*	*			trans	105.9	117.9	156.8	-157.9	0	0	0	0	118.9
147	G	26.3	Very low	28.1	Very low	67 Å²	67	118.7 Å²	118.7	69%	0.691	80%	0.799	S	S	*	*			trans	77.9	148.2	149.4	0	0	0	0	0	119.2
148	T	27.4	Very low	28.1	Very low	123 Å²	123	121.2 Å²	121.2	76%	0.755	79%	0.791	S	S	*	*			cis	-162.8	133.7	-5.2	-70.3	0	0	0	0	110.2
149	L	26.7	Very low	28	Very low	151 Å²	151	122.7 Å²	122.7	79%	0.791	78%	0.78	S	S	*	*			trans	64.7	154.5	170.1	-70.4	167.3	0	0	0	117
150	E	25.1	Very low	28	Very low	188 Å²	188	124.6 Å²	124.6	88%	0.879	78%	0.783	S	S	*	*			cis	-109.9	-162	8.4	-69.4	-164.6	117.5	0	0	115.1
151	L	31	Very low	27.8	Very low	148 Å²	148	121.6 Å²	121.6	78%	0.775	77%	0.773	S	S	*	*			trans	-141	178.7	-158.8	-150.6	78.2	0	0	0	109.6
152	P	36.9	Very low	27.8	Very low	101 Å²	101	121.6 Å²	121.6	66%	0.656	77%	0.773	S	S	*	*			cis	-99.9	165.6	-44.8	10.7	13.2	0	0	0	111.1
153	S	31.2	Very low	27.6	Very low	101 Å²	101	124.7 Å²	124.7	71%	0.706	78%	0.775	S	S	*	*				65.6	138.8	56.6	-43.4	0	0	0	0	112.8
154	T	32.6	Very low	27.5	Very low	126 Å²	126	126.7 Å²	126.7	77%	0.773	77%	0.77	S	S	*	*			cis	-162.9	171.2	42.1	45.6	0	0	0	0	111.4
155	L	27.7	Very low	27.5	Very low	149 Å²	149	131.6 Å²	131.6	78%	0.78	77%	0.771	S	S	*	*			cis	-161.7	167.5	-30.3	-110.6	171.2	0	0	0	111
156	S	26.9	Very low	27.5	Very low	91 Å²	91	130 Å²	130	64%	0.636	77%	0.765	S	S	*	*			trans	-96	-175	164.6	46.7	0	0	0	0	110.4
157	L	27.6	Very low	27.4	Very low	142 Å²	142	128.6 Å²	128.6	74%	0.743	76%	0.761	S	S	*	*			cis	-165.8	145.8	46.7	-87.8	105.2	0	0	0	113.6
158	Y	24.5	Very low	27.6	Very low	185 Å²	185	130 Å²	130	73%	0.725	77%	0.766	S	S	*	*				34.5	122.1	116.3	-137.4	-119.3	0	0	0	123.2
159	K	25.7	Very low	27.4	Very low	165 Å²	165	135.3 Å²	135.3	72%	0.717	77%	0.774	S	S	*	*			trans	59.6	158.2	141	-114.7	175.3	172.6	171.6	0	119.1
160	S	26.2	Very low	27.4	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	78%	0.775	S	S	*	*			cis	-164.5	156.5	10.6	-165.7	0	0	0	0	111.3
161	G	23	Very low	27.5	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	77%	0.766	S	S	*	*			trans	127	106.3	144.7	0	0	0	0	0	121.6
162	A	25.5	Very low	27.4	Very low	100 Å²	100	136.3 Å²	136.3	83%	0.826	77%	0.771	S	S	*	*			trans	70.3	148.8	133.8	0	0	0	0	0	124.4
163	L	26.6	Very low	27.1	Very low	162 Å²	162	137.9 Å²	137.9	85%	0.848	77%	0.774	S	S	*	*			trans	68.9	101.9	160.4	-68.6	170.8	0	0	0	121.4
164	D	25.4	Very low	27	Very low	154 Å²	154	142.7 Å²	142.7	82%	0.824	78%	0.778	S	S	*	*				54.6	160.6	111.5	-127.6	-28.3	0	0	0	123.8
165	E	26.5	Very low	26.8	Very low	186 Å²	186	147 Å²	147	87%	0.869	78%	0.782	S	S	*	*			trans	64.9	179.9	174.6	-118.4	-173.1	128.9	0	0	118.5
166	A	26.3	Very low	26.8	Very low	89 Å²	89	145.9 Å²	145.9	74%	0.736	78%	0.777	S	S	*	*			trans	-140.4	-173	-131.4	0	0	0	0	0	115.6
167	A	26	Very low	26.7	Very low	95 Å²	95	150.3 Å²	150.3	79%	0.785	79%	0.785	S	S	*	*			trans	82.9	127.6	168.2	0	0	0	0	0	118.6
168	A	30.9	Very low	27.3	Very low	95 Å²	95	148.4 Å²	148.4	79%	0.785	78%	0.781	S	S	*	*			trans	28.3	118.4	144	0	0	0	0	0	119.8
169	Y	23.8	Very low	27.6	Very low	235 Å²	235	148.1 Å²	148.1	92%	0.922	79%	0.791	S	S	*	*			trans	-121.6	128.5	148.2	-118.4	-94.3	0	0	0	111.5
170	Q	25.7	Very low	27.9	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.822	79%	0.789	S	S	*	*			trans	-84.5	149.5	163.3	-66.2	179.4	-3.2	0	0	109.2
171	S	28.2	Very low	28.3	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	80%	0.797	S	S	*	*			trans	16.9	117.3	152	-173.9	0	0	0	0	118.8
172	R	27.6	Very low	28.9	Very low	234 Å²	234	149.3 Å²	149.3	88%	0.883	81%	0.806	S	S	*	*				-157.1	127.6	121	-137.1	146.5	67.8	-178.1	3.1	113.7
173	D	30.6	Very low	29.4	Very low	135 Å²	135	147.7 Å²	147.7	72%	0.722	80%	0.799	S	S	*	*			trans	-72	154	167.1	-47.8	-92.8	0	0	0	111.6
174	Y	29	Very low	30.1	Very low	202 Å²	202	146 Å²	146	79%	0.792	80%	0.798	S	S	*	*			trans	-169.2	118	139.9	-112.8	-73.5	0	0	0	110.5
175	Y	28.8	Very low	31.1	Very low	215 Å²	215	144.4 Å²	144.4	84%	0.843	80%	0.796	S	S	*	*				-164.9	139	115.3	-107.3	-70	0	0	0	109.8
176	N	27.2	Very low	31.8	Very low	126 Å²	126	141.3 Å²	141.3	67%	0.674	79%	0.792	S	S	*	*			trans	-155.3	132.8	-168.7	-171.7	-15.8	0	0	0	109
177	F	25.7	Very low	32.9	Very low	185 Å²	185	142.8 Å²	142.8	81%	0.811	79%	0.794	S	S	*	*			trans	-154.3	153.4	169.7	-91.5	-61	0	0	0	108.6
178	P	39.7	Very low	33.9	Very low	102 Å²	102	143.9 Å²	143.9	66%	0.662	79%	0.793	S	S	*	*				-136.3	175.8	-122.3	33.3	-11.4	0	0	0	114.2
179	L	30.3	Very low	34.7	Very low	178 Å²	178	145.1 Å²	145.1	93%	0.932	79%	0.793	S	S	*	*			trans	-150.8	140.2	159.7	-105.8	158.8	0	0	0	109.7
180	A	33.9	Very low	35.5	Very low	83 Å²	83	139.7 Å²	139.7	69%	0.686	79%	0.787	S	S	*	*			trans	-108	166.2	172.3	0	0	0	0	0	108.4
181	L	33.9	Very low	36.5	Very low	179 Å²	179	136.5 Å²	136.5	94%	0.937	78%	0.781	S	S	*	*			cis	-136.5	178.7	26.9	-79.1	160.1	0	0	0	112.5
182	A	35.3	Very low	36.7	Very low	106 Å²	106	140.5 Å²	140.5	88%	0.876	79%	0.789	S	S	*	*			trans	-92.8	163.2	-169.9	0	0	0	0	0	115.5
183	G	35.5	Very low	37.3	Very low	67 Å²	67	135 Å²	135	69%	0.691	78%	0.783	S	S	*	*			trans	-133.8	153.8	161.1	0	0	0	0	0	110.5
184	P	41.9	Very low	37.4	Very low	127 Å²	127	138 Å²	138	83%	0.825	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-82	151.5	-169.6	32.1	-35.9	0	0	0	114.4
185	P	47.3	Very low	37.4	Very low	119 Å²	119	133.2 Å²	133.2	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-83.6	159.6	178.4	34.4	-36	0	0	0	114
186	P	40.9	Very low	37.3	Very low	122 Å²	122	133.9 Å²	133.9	79%	0.792	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.6	161.5	-179	32.6	-36.4	0	0	0	114.6
187	P	48.4	Very low	37.5	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-86.5	162.3	-172.4	34.8	-37.3	0	0	0	115.4
188	P	47.1	Very low	37.4	Very low	118 Å²	118	135 Å²	135	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.9	160.8	177.8	34.6	-36.6	0	0	0	114.3
189	P	47.5	Very low	36.9	Very low	121 Å²	121	137.7 Å²	137.7	79%	0.786	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76.7	157.7	177.6	31.9	-35.9	0	0	0	114.1
190	P	42.1	Very low	36.7	Very low	121 Å²	121	137 Å²	137	79%	0.786	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-87.8	161.1	-171	35	-37.3	0	0	0	115.5
191	P	46.2	Very low	36.5	Very low	109 Å²	109	140.2 Å²	140.2	71%	0.708	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-95.9	170.3	176.3	39.4	-36.5	0	0	0	113.9
192	H	32.7	Very low	36.5	Very low	182 Å²	182	136.7 Å²	136.7	84%	0.843	79%	0.794	S	S	*	*			trans	150.7	160.8	149.4	-81.8	-52.9	0	0	0	111.1
193	P	38.5	Very low	36.2	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	79%	0.788	S	S	*	*			cis	-129.6	173.9	-40	38.2	-23	0	0	0	112.9
194	H	34.5	Very low	35.8	Very low	199 Å²	199	142 Å²	142	92%	0.921	79%	0.791	S	S	*	*			trans	-92.9	142.8	176.8	-74.4	-91.3	0	0	0	113.9
195	A	27.8	Very low	35	Very low	102 Å²	102	147 Å²	147	84%	0.843	80%	0.795	S	S	*	*			trans	-143.1	79.5	171.8	0	0	0	0	0	114.5
196	R	26.8	Very low	33.9	Very low	229 Å²	229	143.8 Å²	143.8	86%	0.864	78%	0.783	S	S	*	*			trans	26.9	105	147.5	-171.8	177.5	-77.1	166.7	-5.3	121.2
197	I	30.5	Very low	33.3	Very low	157 Å²	157	143.8 Å²	143.8	81%	0.805	79%	0.786	S	S	*	*				48	117.9	128	-52.9	168.9	0	0	0	119.9
198	K	23.6	Very low	32.3	Very low	176 Å²	176	143.3 Å²	143.3	77%	0.765	79%	0.793	S	S	*	*				-152	154	119.5	-133.1	-168.1	173	-138.5	0	111.4	E200	K198-E200 IonicContact NZ-OE1 2.85Å; K198-E200 PolarHBondContact NZ-OE1 2.91Å
199	L	30.1	Very low	31.3	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	80%	0.796	S	S	*	*			trans	-118.9	119.9	-179.6	175.8	76.1	0	0	0	109.1
200	E	25.7	Very low	30.2	Very low	162 Å²	162	147.3 Å²	147.3	76%	0.757	80%	0.799	S	S	*	*			trans	-158.6	149.1	166	-102.1	148.6	-125.7	0	0	107.1	K198	K198-E200 IonicContact NZ-OE1 2.85Å; K198-E200 PolarHBondContact NZ-OE1 2.91Å
201	N	30.1	Very low	29.5	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	80%	0.795	S	S	*	*			trans	-140.7	125.7	-173.9	-177.5	51.2	0	0	0	108.4
202	P	34.6	Very low	28.6	Very low	106 Å²	106	144.5 Å²	144.5	69%	0.688	80%	0.795	S	S	*	*				-151.7	148.4	115.4	37	-19.9	0	0	0	117
203	L	27.9	Very low	28.3	Very low	145 Å²	145	140.4 Å²	140.4	76%	0.759	79%	0.793	S	S	*	*			trans	58.2	136.7	139.4	-63.5	173.8	0	0	0	123.3
204	D	27.5	Very low	27.9	Very low	139 Å²	139	139.6 Å²	139.6	74%	0.743	80%	0.796	S	S	*	*			trans	54.2	111.1	146.3	-60.8	-41.7	0	0	0	122.3
205	Y	24.8	Very low	27.6	Very low	231 Å²	231	138.2 Å²	138.2	91%	0.906	79%	0.79	S	S	*	*				-152.9	163.1	102.5	-136.3	-99	0	0	0	112
206	G	25.1	Very low	27.4	Very low	52 Å²	52	140 Å²	140	54%	0.536	79%	0.794	S	S	.	*			trans	-152.6	-157	-179.4	0	0	0	0	0	114.5
207	S	28.5	Very low	27.4	Very low	122 Å²	122	139.9 Å²	139.9	85%	0.853	79%	0.794	S	S	*	*			trans	70.5	110.8	175.9	71.6	0	0	0	0	118.4
208	A	26.2	Very low	27.2	Very low	110 Å²	110	144.3 Å²	144.3	91%	0.909	80%	0.802	S	S	*	*	S	Bend	trans	-159.6	17.6	160.7	0	0	0	0	0	115.3
209	W	26.7	Very low	27.3	Very low	220 Å²	220	139.6 Å²	139.6	83%	0.833	80%	0.804	S	S	*	*			trans	-161.6	106.3	166.5	167.1	-100.2	0	0	0	110	A212	W209-A212 HydrophobicContact CZ2-CB 4.41Å
210	A	25.2	Very low	27.1	Very low	103 Å²	103	139.1 Å²	139.1	85%	0.851	80%	0.802	S	S	*	*			trans	-157.2	63.1	178.8	0	0	0	0	0	111.6
211	A	26	Very low	27.1	Very low	86 Å²	86	139.5 Å²	139.5	71%	0.711	81%	0.808	S	S	*	*			trans	-152.7	59.2	-177.1	0	0	0	0	0	114
212	A	26.8	Very low	27.1	Very low	85 Å²	85	136.3 Å²	136.3	70%	0.702	80%	0.803	S	S	*	*			trans	-159.9	-5.2	168.4	0	0	0	0	0	115.8	W209 A214	W209-A212 HydrophobicContact CZ2-CB 4.41Å; A212-A214 PolarHBondContact O-N 2.69Å
213	A	27.9	Very low	26.9	Very low	97 Å²	97	137 Å²	137	80%	0.802	81%	0.811	S	S	*	*			trans	-86.4	100.3	-177.9	0	0	0	0	0	111.2	Q215	A213-Q215 PolarHBondContact O-N 2.79Å
214	A	28.7	Very low	26.9	Very low	100 Å²	100	137.9 Å²	137.9	83%	0.826	82%	0.815	S	S	*	*			trans	-66.3	128.4	173.1	0	0	0	0	0	110.7	A212	A212-A214 PolarHBondContact O-N 2.69Å
215	Q	28.3	Very low	26.9	Very low	170 Å²	170	140.5 Å²	140.5	79%	0.794	82%	0.823	S	S	*	*			trans	-90	108.2	-174.2	-63.7	178.2	1.1	0	0	111.4	A213 R217	A213-Q215 PolarHBondContact O-N 2.79Å; Q215-R217 PolarHBondContact O-N 2.88Å
216	C	24.5	Very low	27	Very low	138 Å²	138	133 Å²	133	93%	0.932	82%	0.815	S	S	*	*			trans	-77.8	107.3	158.2	-72.3	0	0	0	0	108.9
217	R	27	Very low	27.1	Very low	228 Å²	228	135.8 Å²	135.8	86%	0.86	83%	0.834	S	S	*	*			trans	-122.1	129.7	164.1	-84.6	-162.2	170.7	-153.1	-1.3	110.8	Q215	Q215-R217 PolarHBondContact O-N 2.88Å
218	Y	25.1	Very low	26.9	Very low	249 Å²	249	134 Å²	134	98%	0.976	84%	0.835	S	S	*	*			trans	-76	141.6	159.3	-121.8	-102.2	0	0	0	108.7
219	G	26.1	Very low	27	Very low	77 Å²	77	133.8 Å²	133.8	79%	0.794	83%	0.832	S	S	*	*			trans	162.2	98.6	178.9	0	0	0	0	0	111.7
220	D	26.8	Very low	27	Very low	151 Å²	151	128.5 Å²	128.5	81%	0.807	84%	0.836	S	S	*	*			trans	-96.3	140.2	179.8	-175.2	18.5	0	0	0	111
221	L	26.2	Very low	27.1	Very low	169 Å²	169	126.9 Å²	126.9	89%	0.885	83%	0.829	S	S	*	*			trans	-171.5	111.7	160.8	-118.7	163	0	0	0	111.7
222	A	29.3	Very low	27.6	Very low	85 Å²	85	129.4 Å²	129.4	70%	0.702	84%	0.838	S	S	*	*			trans	-107.4	163.6	169.2	0	0	0	0	0	112
223	S	29.9	Very low	27.5	Very low	120 Å²	120	129.1 Å²	129.1	84%	0.839	84%	0.843	S	S	*	*			trans	-39.4	144.8	-170	-55.4	0	0	0	0	119
224	L	28	Very low	27.8	Very low	163 Å²	163	130.7 Å²	130.7	85%	0.853	85%	0.848	S	S	*	*			trans	-62.6	131.2	159.3	-70.1	162.5	0	0	0	111.5
225	H	28.8	Very low	27.7	Very low	195 Å²	195	129.4 Å²	129.4	90%	0.903	85%	0.845	S	S	*	*				178.2	142.4	119.1	-109.6	-90.2	0	0	0	113.3
226	G	25.2	Very low	27.6	Very low	72 Å²	72	127.1 Å²	127.1	74%	0.742	85%	0.848	S	S	*	*			trans	89.4	70.4	138.5	0	0	0	0	0	120.8
227	A	27.1	Very low	27.8	Very low	112 Å²	112	126.6 Å²	126.6	93%	0.926	84%	0.843	S	S	*	*			trans	27	120.1	143.3	0	0	0	0	0	121.5
228	G	25.9	Very low	27.8	Very low	85 Å²	85	121 Å²	121	88%	0.876	84%	0.839	S	S	*	*			trans	-163.2	146.7	161.3	0	0	0	0	0	109.6
229	A	27.5	Very low	28.4	Very low	104 Å²	104	114.4 Å²	114.4	86%	0.86	84%	0.835	S	S	*	*			trans	-116.2	168.3	-164.3	0	0	0	0	0	115.1
230	A	27.7	Very low	28.8	Very low	110 Å²	110	114.6 Å²	114.6	91%	0.909	83%	0.829	S	S	*	*			trans	81.5	142.8	173	0	0	0	0	0	118.5
231	G	25.7	Very low	28.9	Very low	69 Å²	69	112.3 Å²	112.3	71%	0.711	83%	0.832	S	S	*	*			trans	-157.6	-164.7	166.1	0	0	0	0	0	107.4
232	P	38	Very low	29.5	Very low	138 Å²	138	108.3 Å²	108.3	90%	0.896	82%	0.818	S	S	*	*			cis	-111.1	160.9	-5.1	38.6	-28.6	0	0	0	112.8
233	G	24.2	Very low	30.5	Very low	79 Å²	79	106.6 Å²	106.6	81%	0.814	80%	0.801	S	S	*	*			trans	-139.5	128.9	171.8	0	0	0	0	0	111
234	S	34.9	Very low	32.1	Very low	130 Å²	130	103.2 Å²	103.2	91%	0.909	78%	0.777	S	S	*	*			trans	-79.9	131.7	-174.9	53.1	0	0	0	0	112.8
235	G	25.6	Very low	34.1	Very low	73 Å²	73	95.4 Å²	95.4	75%	0.753	74%	0.736	S	S	*	*			trans	170.2	52.2	174	0	0	0	0	0	117.4
236	S	25.9	Very low	36.3	Very low	122 Å²	122	91 Å²	91	85%	0.853	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-78.3	126.1	169.7	-59	0	0	0	0	111	S238	S236-S238 PolarHBondContact O-N 3.09Å
237	P	29.9	Very low	38.8	Very low	127 Å²	127	90.8 Å²	90.8	83%	0.825	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.5	125.6	172.4	29.4	-32.7	0	0	0	110.2	A239	P237-A239 PolarHBondContact O-N 2.72Å
238	S	26.3	Very low	41.1	Very low	111 Å²	111	87 Å²	87	78%	0.776	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-78.9	120.7	-177	-168.3	0	0	0	0	111.9	S236 A240	S236-S238 PolarHBondContact O-N 3.09Å; S238-A240 VanDerWaalsContact C-N 3.26Å; S238-A240 PolarHBondContact O-N 2.72Å
239	A	36.6	Very low	43	Very low	110 Å²	110	83.8 Å²	83.8	91%	0.909	63%	0.626	S	S	*	*			trans	-84.6	60.1	178.2	0	0	0	0	0	112.1	P237	P237-A239 PolarHBondContact O-N 2.72Å
240	A	34.7	Very low	44.6	Very low	81 Å²	81	83.1 Å²	83.1	67%	0.669	61%	0.611	S	S	*	*			trans	-146.3	78.4	179.2	0	0	0	0	0	111.7	S238	S238-A240 VanDerWaalsContact C-N 3.26Å; S238-A240 PolarHBondContact O-N 2.72Å
241	A	30.2	Very low	45.8	Very low	103 Å²	103	81.4 Å²	81.4	85%	0.851	60%	0.598	S	S	*	*			trans	-91.7	92.6	167	0	0	0	0	0	109	S243	A241-S243 PolarHBondContact O-N 2.68Å
242	S	37.3	Very low	46.7	Very low	86 Å²	86	83.2 Å²	83.2	60%	0.601	59%	0.587	S	S	*	*			trans	-68.4	116.7	173.9	63.1	0	0	0	0	109.8	S244 E711	S242-S244 PolarHBondContact O-N 3.42Å; S242-S244 VanDerWaalsContact O-N 3.11Å; S242-E711 WeakPolarHBondContact CB-OE2 3.46Å; S242-E711 PolarHBondContact OG-OE2 3.37Å; S242-E711 VanDerWaalsContact OG-OE2 3.12Å
243	S	52.2	Low	46.6	Very low	49 Å²	49	84.8 Å²	84.8	34%	0.343	58%	0.583	S	S	.	*			trans	-82.4	88.8	178.8	62.2	0	0	0	0	109.5	A241 M712	A241-S243 PolarHBondContact O-N 2.68Å; S243-M712 VanDerWaalsContact O-CE 3.27Å; S243-M712 WeakPolarHBondContact O-CE 3.23Å; S243-M712 WeakPolarHBondContact OG-CE 3.46Å
244	S	63.4	Low	46.9	Very low	48 Å²	48	84.6 Å²	84.6	34%	0.336	58%	0.581	S	S	.	*			trans	-46.8	146.4	169.7	174	0	0	0	0	111.5	S242 H246 T247	S242-S244 PolarHBondContact O-N 3.42Å; S242-S244 VanDerWaalsContact O-N 3.11Å; S244-H246 PolarHBondContact O-N 2.95Å; S244-H246 VanDerWaalsContact O-N 3.13Å; S244-T247 WeakPolarHBondContact O-CA 3.32Å; S244-T247 VanDerWaalsContact O-CB 3.25Å; S244-T247 WeakPolarHBondContact O-CB 3.45Å; S244-T247 PolarHBondContact O-N 3.03Å; S244-T247 PolarHBondContact O-OG1 3.1Å
245	W	68.3	Low	46.8	Very low	0 Å²	0	87.1 Å²	87.1	0%	0	58%	0.578	C	S	.	*	T	Hydrogen-bonded Turn	trans	-47.3	-45.9	-177.4	-114.6	96.4	0	0	0	113.1	T247 L248 F249 V527 I548 Q549 M712 I716	W245-T247 VanDerWaalsContact C-N 3.32Å; W245-T247 PolarHBondContact O-N 3.46Å; W245-L248 PolarHBondContact O-N 2.96Å; W245-F249 HydrophobicContact CE3-CD2 4.34Å; W245-F249 AromaticContact CE3-CE2 3.67Å; W245-F249 HydrophobicContact CE3-CE2 3.67Å; W245-F249 AromaticContact CZ3-CE2 3.47Å; W245-F249 HydrophobicContact CZ3-CE2 3.47Å; W245-F249 VanDerWaalsContact CZ3-CE2 3.47Å; W245-F249 AromaticContact CZ3-CZ 3.92Å; W245-F249 HydrophobicContact CZ3-CZ 3.92Å; W245-F249 WeakPolarHBondContact O-CD2 3.25Å; W245-V527 HydrophobicContact CH2-CG2 4.21Å; W245-V527 HydrophobicContact CZ3-CG2 4.46Å; W245-I548 HydrophobicContact CH2-CB 4.3Å; W245-I548 HydrophobicContact CH2-CG2 3.9Å; W245-Q549 HydrophobicContact CD2-CG 4.48Å; W245-Q549 HydrophobicContact CE3-CG 4.24Å; W245-Q549 HydrophobicContact CH2-CG 3.46Å; W245-Q549 VanDerWaalsContact CH2-CG 3.46Å; W245-Q549 HydrophobicContact CZ2-CG 3.73Å; W245-Q549 HydrophobicContact CZ3-CG 3.72Å; W245-M712 HydrophobicContact CG-CG 4.24Å; W245-M712 VanDerWaalsContact NE1-CG 3.26Å; W245-M712 PolarHBondContact NE1-O 3.07Å; W245-M712 VanDerWaalsContact NE1-O 3.08Å; W245-I716 HydrophobicContact CZ2-CD1 3.55Å; W245-I716 HydrophobicContact CZ2-CG1 3.89Å; W245-I716 VanDerWaalsContact NE1-CG1 3.26Å
246	H	75.5	Confident	47.1	Very low	103 Å²	103	91.1 Å²	91.1	48%	0.477	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	-31.4	-178.6	-65.8	-71.1	0	0	0	113	S244 L248 F249 T250	S244-H246 PolarHBondContact O-N 2.95Å; S244-H246 VanDerWaalsContact O-N 3.13Å; H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 3.24Å; H246-F249 PolarHBondContact O-N 2.79Å; H246-F249 VanDerWaalsContact O-N 3.1Å; H246-T250 PolarHBondContact O-N 2.94Å; H246-T250 VanDerWaalsContact O-N 3.1Å; H246-T250 PolarHBondContact O-OG1 3.47Å; H246-T250 VanDerWaalsContact O-OG1 3.09Å
247	T	78.9	Confident	47.4	Very low	66 Å²	66	96.6 Å²	96.6	41%	0.405	59%	0.585	S	S	.	*	H	α-helix	trans	-61.7	-36.3	176.5	-49.6	0	0	0	0	111.7	S244 W245 F249 T250 A251	S244-T247 WeakPolarHBondContact O-CA 3.32Å; S244-T247 VanDerWaalsContact O-CB 3.25Å; S244-T247 WeakPolarHBondContact O-CB 3.45Å; S244-T247 PolarHBondContact O-N 3.03Å; S244-T247 PolarHBondContact O-OG1 3.1Å; W245-T247 VanDerWaalsContact C-N 3.32Å; W245-T247 PolarHBondContact O-N 3.46Å; T247-F249 PolarHBondContact O-N 3.06Å; T247-T250 WeakPolarHBondContact CA-OG1 3.34Å; T247-T250 PolarHBondContact O-N 3.16Å; T247-A251 WeakPolarHBondContact O-CB 3.39Å; T247-A251 PolarHBondContact O-N 3.35Å
248	L	74.2	Confident	47.2	Very low	33 Å²	33	93.5 Å²	93.5	17%	0.173	58%	0.577	C	S	.	*	H	α-helix	trans	-63.9	-22.6	177.1	-64.4	-177.7	0	0	0	113.4	W245 H246 V524 V527 K531 M712	W245-L248 PolarHBondContact O-N 2.96Å; H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 3.24Å; L248-V524 HydrophobicContact CD1-CG2 4.36Å; L248-V527 HydrophobicContact CB-CG1 4.26Å; L248-V527 HydrophobicContact CD1-CG2 4.33Å; L248-K531 WeakPolarHBondContact O-CE 3.28Å; L248-K531 PolarHBondContact O-NZ 3.36Å; L248-M712 HydrophobicContact CD1-CE 3.75Å; L248-M712 HydrophobicContact CD1-SD 3.91Å; L248-M712 HydrophobicContact CG-CE 4.48Å
249	F	66.8	Low	47.6	Very low	17 Å²	17	94.5 Å²	94.5	8%	0.075	58%	0.58	C	S	.	*	H	α-helix	trans	-92.6	-43	178.6	-72.8	-95.7	0	0	0	111.7	W245 H246 T247 V527 K531 V541 Q544 M545 I548	W245-F249 HydrophobicContact CE3-CD2 4.34Å; W245-F249 AromaticContact CE3-CE2 3.67Å; W245-F249 HydrophobicContact CE3-CE2 3.67Å; W245-F249 AromaticContact CZ3-CE2 3.47Å; W245-F249 HydrophobicContact CZ3-CE2 3.47Å; W245-F249 VanDerWaalsContact CZ3-CE2 3.47Å; W245-F249 AromaticContact CZ3-CZ 3.92Å; W245-F249 HydrophobicContact CZ3-CZ 3.92Å; W245-F249 WeakPolarHBondContact O-CD2 3.25Å; H246-F249 PolarHBondContact O-N 2.79Å; H246-F249 VanDerWaalsContact O-N 3.1Å; T247-F249 PolarHBondContact O-N 3.06Å; F249-V527 HydrophobicContact CE2-CG1 3.89Å; F249-V527 HydrophobicContact CE2-CG2 4.35Å; F249-V527 HydrophobicContact CZ-CG1 3.79Å; F249-V527 HydrophobicContact CZ-CG2 4.36Å; F249-K531 PolarHBondContact O-NZ 3.18Å; F249-V541 HydrophobicContact CB-CG1 4.14Å; F249-V541 HydrophobicContact CD1-CG1 4.21Å; F249-V541 HydrophobicContact CG-CG1 4.46Å; F249-Q544 HydrophobicContact CE1-CB 4.07Å; F249-M545 HydrophobicContact CD1-CG 3.83Å; F249-M545 HydrophobicContact CD2-CG 3.83Å; F249-M545 HydrophobicContact CD2-SD 4.17Å; F249-M545 HydrophobicContact CE1-CG 3.83Å; F249-M545 HydrophobicContact CE2-CG 3.86Å; F249-M545 HydrophobicContact CG-CG 3.84Å; F249-M545 HydrophobicContact CG-SD 4.22Å; F249-M545 HydrophobicContact CZ-CG 3.85Å; F249-I548 HydrophobicContact CE1-CD1 4.35Å; F249-I548 HydrophobicContact CZ-CD1 3.88Å
250	T	60.7	Low	47.1	Very low	90 Å²	90	95.8 Å²	95.8	55%	0.552	58%	0.581	S	S	*	*	H	α-helix	trans	-77.6	-28.1	-176.2	52.1	0	0	0	0	115.1	H246 T247 E252 E253	H246-T250 PolarHBondContact O-N 2.94Å; H246-T250 VanDerWaalsContact O-N 3.1Å; H246-T250 PolarHBondContact O-OG1 3.47Å; H246-T250 VanDerWaalsContact O-OG1 3.09Å; T247-T250 WeakPolarHBondContact CA-OG1 3.34Å; T247-T250 PolarHBondContact O-N 3.16Å; T250-E252 PolarHBondContact O-N 3.43Å; T250-E253 PolarHBondContact O-N 2.61Å
251	A	51.9	Low	46.8	Very low	75 Å²	75	95.7 Å²	95.7	62%	0.62	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-2.6	-169.7	0	0	0	0	0	116.9	T247	T247-A251 WeakPolarHBondContact O-CB 3.39Å; T247-A251 PolarHBondContact O-N 3.35Å
252	E	44.5	Very low	46.7	Very low	106 Å²	106	94.7 Å²	94.7	50%	0.495	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.1	-12.6	-179.8	-76.9	-172.1	105	0	0	115.2	T250 K531 R537	T250-E252 PolarHBondContact O-N 3.43Å; E252-K531 VanDerWaalsContact OE2-CD 3.28Å; E252-K531 WeakPolarHBondContact OE2-CD 3.05Å; E252-K531 WeakPolarHBondContact OE2-CE 3.22Å; E252-K531 IonicContact OE2-NZ 3.01Å; E252-K531 PolarHBondContact OE2-NZ 3.27Å; E252-R537 IonicContact OE1-CZ 2.72Å; E252-R537 IonicContact OE1-NH2 3.55Å; E252-R537 PolarHBondContact OE1-NH2 3.48Å; E252-R537 IonicContact OE2-CZ 3.11Å; E252-R537 IonicContact OE2-NH2 3.39Å; E252-R537 PolarHBondContact OE2-NH2 3.18Å
253	E	36.1	Very low	46.3	Very low	172 Å²	172	94.8 Å²	94.8	80%	0.804	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-17.5	-175.1	-63.2	-163.8	131.7	0	0	113.8	T250 Q255	T250-E253 PolarHBondContact O-N 2.61Å; E253-Q255 PolarHBondContact O-N 3.18Å
254	G	32	Very low	45.1	Very low	75 Å²	75	96.5 Å²	96.5	77%	0.773	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-8.1	-172.4	0	0	0	0	0	116.8
255	Q	31.8	Very low	43.5	Very low	182 Å²	182	98.5 Å²	98.5	85%	0.85	66%	0.656	S	S	*	*	S	Bend	trans	-116.3	39.4	-161.9	-156.6	137.7	29.5	0	0	115.3	E253	E253-Q255 PolarHBondContact O-N 3.18Å
256	L	33	Very low	41.6	Very low	158 Å²	158	102.4 Å²	102.4	83%	0.827	70%	0.696	S	S	*	*	S	Bend	trans	-142.8	27	172.2	-137.1	121.5	0	0	0	117.3
257	Y	31.9	Very low	39.4	Very low	236 Å²	236	101.6 Å²	101.6	93%	0.925	72%	0.716	S	S	*	*			trans	-156.9	118.7	152	-116.5	-79.6	0	0	0	110.8
258	G	25.1	Very low	37.1	Very low	63 Å²	63	102.4 Å²	102.4	65%	0.649	74%	0.738	S	S	*	*			trans	-157.3	118.3	176.6	0	0	0	0	0	110.7
259	P	34.3	Very low	35	Very low	131 Å²	131	105 Å²	105	85%	0.851	77%	0.772	S	S	*	*			trans	-75	147.1	179.2	31.1	-34.1	0	0	0	111.3	G261	P259-G261 PolarHBondContact O-N 3.37Å
260	C	27.1	Very low	33.4	Very low	137 Å²	137	108 Å²	108	93%	0.926	81%	0.808	S	S	*	*			trans	-73.7	124.5	176.8	-65.5	0	0	0	0	111
261	G	27.1	Very low	32	Very low	79 Å²	79	107.8 Å²	107.8	81%	0.814	82%	0.824	S	S	*	*			trans	-121.3	95.6	169.3	0	0	0	0	0	110.3	P259	P259-G261 PolarHBondContact O-N 3.37Å
262	G	29.1	Very low	31	Very low	82 Å²	82	108.2 Å²	108.2	85%	0.845	84%	0.835	S	S	*	*			trans	-75.6	142.2	174.9	0	0	0	0	0	111.6
263	G	28.1	Very low	30.4	Very low	89 Å²	89	107.3 Å²	107.3	92%	0.918	86%	0.855	S	S	*	*			trans	-78.5	151.6	180	0	0	0	0	0	113.9
264	G	27.8	Very low	30.2	Very low	85 Å²	85	103.1 Å²	103.1	88%	0.876	86%	0.858	S	S	*	*			trans	-154.4	126.4	167.8	0	0	0	0	0	109
265	G	28.7	Very low	30.1	Very low	89 Å²	89	103.7 Å²	103.7	92%	0.918	86%	0.863	S	S	*	*			trans	-99	159.3	-175.6	0	0	0	0	0	113.5
266	G	29.1	Very low	30	Very low	82 Å²	82	98.9 Å²	98.9	85%	0.845	86%	0.862	S	S	*	*			trans	177.9	116.8	173.1	0	0	0	0	0	109.3
267	G	30	Very low	29.9	Very low	87 Å²	87	95.4 Å²	95.4	90%	0.897	87%	0.865	S	S	*	*			trans	-103.7	-177.5	-171	0	0	0	0	0	114.6
268	G	29.1	Very low	29.8	Very low	83 Å²	83	88.2 Å²	88.2	86%	0.856	86%	0.863	S	S	*	*			trans	111.9	120.8	158.2	0	0	0	0	0	116.1
269	G	31.5	Very low	29.9	Very low	87 Å²	87	89.4 Å²	89.4	90%	0.897	87%	0.874	S	S	*	*			trans	87.3	152.2	167	0	0	0	0	0	116
270	G	32.1	Very low	29.6	Very low	81 Å²	81	87 Å²	87	84%	0.835	87%	0.874	S	S	*	*			cis	167.8	60.7	-4.1	0	0	0	0	0	117
271	G	31.5	Very low	29.7	Very low	85 Å²	85	84.5 Å²	84.5	88%	0.876	87%	0.871	S	S	*	*			trans	73.3	-179.3	166.7	0	0	0	0	0	116.8
272	G	31.9	Very low	29.7	Very low	84 Å²	84	84.7 Å²	84.7	87%	0.866	87%	0.873	S	S	*	*			trans	93.7	97.8	172.9	0	0	0	0	0	115.3
273	G	31.3	Very low	29.7	Very low	87 Å²	87	84.1 Å²	84.1	90%	0.897	87%	0.867	S	S	*	*			trans	-85.1	168.4	168	0	0	0	0	0	112.8
274	G	32	Very low	29.7	Very low	84 Å²	84	89 Å²	89	87%	0.866	87%	0.866	S	S	*	*			trans	158.9	84.3	174.4	0	0	0	0	0	114.3
275	G	29.6	Very low	29.8	Very low	86 Å²	86	89.6 Å²	89.6	89%	0.887	86%	0.863	S	S	*	*			trans	-85.6	139.5	160	0	0	0	0	0	109.8
276	G	30.6	Very low	29.7	Very low	81 Å²	81	88.8 Å²	88.8	84%	0.835	86%	0.855	S	S	*	*			trans	-162.2	-0.1	-168.7	0	0	0	0	0	120.5
277	G	30.1	Very low	29.5	Very low	85 Å²	85	89.5 Å²	89.5	88%	0.876	85%	0.853	S	S	*	*			trans	62.8	-163.3	171.4	0	0	0	0	0	116.4
278	G	29.1	Very low	29.4	Very low	86 Å²	86	92 Å²	92	89%	0.887	85%	0.85	S	S	*	*			trans	109.7	77.7	176	0	0	0	0	0	114.5
279	G	28.6	Very low	29.7	Very low	87 Å²	87	92.4 Å²	92.4	90%	0.897	85%	0.845	S	S	*	*			trans	-82.9	-168.1	-170.5	0	0	0	0	0	117.6
280	G	27.7	Very low	30.1	Very low	82 Å²	82	94 Å²	94	85%	0.845	84%	0.84	S	S	*	*			trans	119.7	110.5	155.6	0	0	0	0	0	117.2
281	G	28.1	Very low	29.9	Very low	83 Å²	83	101 Å²	101	86%	0.856	84%	0.843	S	S	*	*				99.3	95.2	121.3	0	0	0	0	0	120.6
282	G	28.5	Very low	29.5	Very low	83 Å²	83	100.7 Å²	100.7	86%	0.856	84%	0.839	S	S	*	*				86.8	161.8	126.1	0	0	0	0	0	120.1
283	G	28.3	Very low	29.5	Very low	71 Å²	71	107.1 Å²	107.1	73%	0.732	84%	0.839	S	S	*	*			trans	74.8	89.1	170.9	0	0	0	0	0	114.6
284	E	28.5	Very low	29.1	Very low	191 Å²	191	110.2 Å²	110.2	89%	0.893	84%	0.841	S	S	*	*				71.1	120	69.9	-71.8	-160.1	79.9	0	0	117.7
285	A	28.7	Very low	28.8	Very low	98 Å²	98	117.1 Å²	117.1	81%	0.81	84%	0.84	S	S	*	*			trans	70.5	161.2	136	0	0	0	0	0	121.9
286	G	26.6	Very low	30	Very low	72 Å²	72	117.9 Å²	117.9	74%	0.742	83%	0.83	S	S	*	*			trans	78.4	80.1	168.6	0	0	0	0	0	115.4
287	A	26.7	Very low	30.8	Very low	97 Å²	97	118.6 Å²	118.6	80%	0.802	82%	0.82	S	S	*	*			cis	73.4	161.7	49	0	0	0	0	0	115.3
288	V	27.3	Very low	30.9	Very low	140 Å²	140	123.6 Å²	123.6	85%	0.848	82%	0.82	S	S	*	*			trans	79.5	107.4	174.9	-169.2	0	0	0	0	117
289	A	34.6	Very low	30.8	Very low	90 Å²	90	123 Å²	123	74%	0.744	81%	0.814	S	S	*	*			trans	-92.4	164.6	153	0	0	0	0	0	109.9
290	P	40.3	Very low	30.9	Very low	121 Å²	121	126.8 Å²	126.8	79%	0.786	81%	0.813	S	S	*	*				-148.3	170	118.8	36.6	-20	0	0	0	117.5
291	Y	28.2	Very low	30.9	Very low	228 Å²	228	127.8 Å²	127.8	89%	0.894	81%	0.813	S	S	*	*			trans	-47.3	158.2	176.3	-67.7	-99.2	0	0	0	119.2
292	G	23.9	Very low	30.8	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	81%	0.809	S	S	*	*			trans	-156.2	141.3	157.4	0	0	0	0	0	112.8
293	Y	30.4	Very low	30.7	Very low	220 Å²	220	131.1 Å²	131.1	86%	0.863	80%	0.804	S	S	*	*			trans	-128.1	140	-175.9	-114.6	-88.9	0	0	0	109.8
294	T	23	Very low	30.5	Very low	152 Å²	152	135.5 Å²	135.5	93%	0.933	81%	0.806	S	S	*	*			trans	-171.3	174.7	150.8	16.5	0	0	0	0	115.6
295	R	27.2	Very low	30.4	Very low	228 Å²	228	131.6 Å²	131.6	86%	0.86	80%	0.799	S	S	*	*			trans	-165.3	-179.9	-174.7	-147.3	-161.8	175.6	-167.5	0.1	107.4
296	P	52.8	Low	30.2	Very low	103 Å²	103	133.7 Å²	133.7	67%	0.669	80%	0.797	S	S	*	*			cis	-112.4	-107.3	-20.9	20.9	6.8	0	0	0	111
297	P	48.3	Very low	30.1	Very low	95 Å²	95	138.6 Å²	138.6	62%	0.617	80%	0.798	S	S	*	*			cis	-136.7	144.6	-37.6	37.5	-17.7	0	0	0	119.4
298	Q	32.7	Very low	29.9	Very low	191 Å²	191	140.2 Å²	140.2	89%	0.893	80%	0.798	S	S	*	*			trans	52.5	142	133	-61.6	173.9	-92.9	0	0	126.7
299	G	27.3	Very low	30.1	Very low	73 Å²	73	137.6 Å²	137.6	75%	0.753	79%	0.791	S	S	*	*			trans	140.8	151.2	137.9	0	0	0	0	0	116.7
300	L	29.1	Very low	30.2	Very low	166 Å²	166	138.6 Å²	138.6	87%	0.869	79%	0.79	S	S	*	*			cis	-169.4	170.9	-34.9	-123.4	176.1	0	0	0	111.4
301	A	27.8	Very low	29.3	Very low	103 Å²	103	139.7 Å²	139.7	85%	0.851	79%	0.789	S	S	*	*			trans	65.8	155.5	179.6	0	0	0	0	0	116.7
302	G	26.1	Very low	29.4	Very low	75 Å²	75	134.3 Å²	134.3	77%	0.773	78%	0.78	S	S	*	*			cis	168	167.8	-4.4	0	0	0	0	0	109.3
303	Q	27.8	Very low	29.3	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.752	79%	0.785	S	S	*	*			cis	-168.4	142.4	-13.5	179.1	170.7	-14.2	0	0	110.9
304	E	24	Very low	29.1	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.762	79%	0.785	S	S	*	*			trans	62.6	151.1	160.2	-79.1	157.8	-140.6	0	0	125.8
305	S	24.5	Very low	30	Very low	109 Å²	109	140 Å²	140	76%	0.762	78%	0.775	S	S	*	*			trans	80.9	83.4	159.3	59.3	0	0	0	0	123.3
306	D	25.9	Very low	29.9	Very low	142 Å²	142	133 Å²	133	76%	0.759	77%	0.774	S	S	*	*				72.2	136	112.9	-80.6	11.4	0	0	0	127.3
307	F	23.6	Very low	28.5	Very low	176 Å²	176	131.9 Å²	131.9	77%	0.772	78%	0.781	S	S	*	*			trans	64.2	105.8	154.6	-70.1	-64.7	0	0	0	124.4
308	T	22.8	Very low	27.6	Very low	131 Å²	131	136 Å²	136	80%	0.804	79%	0.794	S	S	*	*			trans	63.7	128.2	136.5	-13.4	0	0	0	0	121.9
309	A	30.8	Very low	27.4	Very low	84 Å²	84	133.6 Å²	133.6	69%	0.694	79%	0.792	S	S	*	*			trans	-84.8	169.1	163.6	0	0	0	0	0	111.8
310	P	36.9	Very low	27.3	Very low	112 Å²	112	135 Å²	135	73%	0.727	79%	0.79	S	S	*	*				-151.5	170.9	89	40.7	-22.9	0	0	0	117.4
311	D	22.2	Very low	27.2	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	79%	0.791	S	S	*	*			trans	41.1	121.1	146.5	-66.4	-47.4	0	0	0	124.4
312	V	29.9	Very low	27.1	Very low	116 Å²	116	139.3 Å²	139.3	70%	0.703	79%	0.787	S	S	*	*			trans	66.4	137.8	131.3	179	0	0	0	0	119.7
313	W	22.4	Very low	27.7	Very low	241 Å²	241	141.8 Å²	141.8	91%	0.913	79%	0.789	S	S	*	*				-179.6	163.2	125	-105.6	76.4	0	0	0	113.5
314	Y	25.6	Very low	27.7	Very low	216 Å²	216	144.3 Å²	144.3	85%	0.847	79%	0.793	S	S	*	*			trans	-94.3	-156.5	178.9	-103.9	-87	0	0	0	110.2
315	P	41.4	Very low	28.2	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	79%	0.79	S	S	*	*			cis	-133	-166	-36.1	31.3	-9.8	0	0	0	113.5
316	G	24.8	Very low	28.2	Very low	82 Å²	82	141 Å²	141	85%	0.845	79%	0.786	S	S	*	*			trans	142	144.1	132.9	0	0	0	0	0	121.6
317	G	25.1	Very low	28.4	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	79%	0.79	S	S	*	*			trans	113.2	90.4	167.2	0	0	0	0	0	115.5
318	M	29.4	Very low	28.4	Very low	183 Å²	183	138 Å²	138	90%	0.901	79%	0.79	S	S	*	*				75.2	130.2	62.5	-143.4	167.1	-162.1	0	0	112.5
319	V	28.3	Very low	28.5	Very low	140 Å²	140	137.3 Å²	137.3	85%	0.848	79%	0.789	S	S	*	*				-146.2	174.6	52.2	-170.2	0	0	0	0	112.7
320	S	25.2	Very low	28.2	Very low	101 Å²	101	139 Å²	139	71%	0.706	79%	0.79	S	S	*	*			trans	-98.7	-159.3	-169.4	-42.4	0	0	0	0	115.3
321	R	26.3	Very low	27.5	Very low	234 Å²	234	141.2 Å²	141.2	88%	0.883	79%	0.788	S	S	*	*			cis	-171.3	126.9	27.3	-147	-174.5	-171	-177.2	3.3	115.3
322	V	26.4	Very low	27.6	Very low	127 Å²	127	138.3 Å²	138.3	77%	0.77	78%	0.779	S	S	*	*				37.4	132.9	127.6	-168.2	0	0	0	0	119.9
323	P	37.5	Very low	27.2	Very low	127 Å²	127	139.1 Å²	139.1	83%	0.825	78%	0.775	S	S	*	*				-146.1	-179.3	63.7	40.3	-18.7	0	0	0	120.3
324	Y	28.1	Very low	27.3	Very low	213 Å²	213	135.9 Å²	135.9	84%	0.835	77%	0.772	S	S	*	*			trans	-135.4	171.2	-163.5	-134.7	-84	0	0	0	111.3
325	P	34.5	Very low	27.5	Very low	108 Å²	108	128.2 Å²	128.2	70%	0.701	76%	0.759	S	S	*	*				-150.6	136.2	122.3	35.7	-18.5	0	0	0	117.9
326	S	24.4	Very low	27.4	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	76%	0.757	S	S	*	*			trans	63.7	151.9	145.7	-51.3	0	0	0	0	119.5
327	P	31.6	Very low	27.4	Very low	130 Å²	130	134.5 Å²	134.5	84%	0.844	76%	0.757	S	S	*	*				-127.8	178.4	60.9	37.7	-22.8	0	0	0	115.8
328	T	22.9	Very low	27.5	Very low	125 Å²	125	137.7 Å²	137.7	77%	0.767	75%	0.752	S	S	*	*			trans	-144.7	170.8	-170.8	49.3	0	0	0	0	112.7
329	C	25.3	Very low	27.4	Very low	116 Å²	116	134.6 Å²	134.6	78%	0.784	74%	0.739	S	S	*	*			trans	84.2	136.3	169.2	-147	0	0	0	0	115.6
330	V	23.4	Very low	27.3	Very low	120 Å²	120	131.8 Å²	131.8	73%	0.727	73%	0.726	S	S	*	*			cis	134.1	131.8	-17.2	168	0	0	0	0	111.8
331	K	22.1	Very low	27.5	Very low	158 Å²	158	138.5 Å²	138.5	69%	0.687	74%	0.737	S	S	*	*			trans	65.3	163.9	170.4	-93.1	-171	165.7	-143.6	0	116.9	E333	K331-E333 VanDerWaalsContact CE-CD 3.45Å; K331-E333 VanDerWaalsContact CE-OE1 3.28Å; K331-E333 WeakPolarHBondContact CE-OE1 2.97Å; K331-E333 VanDerWaalsContact CE-OE2 3.3Å; K331-E333 WeakPolarHBondContact CE-OE2 3.49Å; K331-E333 IonicContact NZ-OE1 2.7Å; K331-E333 PolarHBondContact NZ-OE1 3.37Å; K331-E333 IonicContact NZ-OE2 2.67Å; K331-E333 PolarHBondContact NZ-OE2 2.88Å
332	S	24.3	Very low	27.7	Very low	82 Å²	82	132.9 Å²	132.9	57%	0.573	73%	0.734	S	S	*	*			cis	-131.5	142.1	3.6	-102.1	0	0	0	0	110.2
333	E	22.3	Very low	27.8	Very low	133 Å²	133	130.2 Å²	130.2	62%	0.621	73%	0.732	S	S	*	*				50.4	113.3	95.1	-56.7	164.9	141	0	0	115.2	K331	K331-E333 VanDerWaalsContact CE-CD 3.45Å; K331-E333 VanDerWaalsContact CE-OE1 3.28Å; K331-E333 WeakPolarHBondContact CE-OE1 2.97Å; K331-E333 VanDerWaalsContact CE-OE2 3.3Å; K331-E333 WeakPolarHBondContact CE-OE2 3.49Å; K331-E333 IonicContact NZ-OE1 2.7Å; K331-E333 PolarHBondContact NZ-OE1 3.37Å; K331-E333 IonicContact NZ-OE2 2.67Å; K331-E333 PolarHBondContact NZ-OE2 2.88Å
334	M	25.2	Very low	27.8	Very low	172 Å²	172	129.9 Å²	129.9	85%	0.847	73%	0.73	S	S	*	*				-170.4	133.6	102.8	-158.4	61.1	-179.1	0	0	111.8
335	G	29.3	Very low	27.9	Very low	56 Å²	56	131.4 Å²	131.4	58%	0.577	74%	0.736	S	S	*	*			trans	-116.4	163.5	150.4	0	0	0	0	0	107.9
336	P	38.5	Very low	27.7	Very low	103 Å²	103	129.8 Å²	129.8	67%	0.669	74%	0.739	S	S	*	*				-151.9	136.5	107.7	34.5	-15.6	0	0	0	118.9
337	W	25.3	Very low	27.9	Very low	223 Å²	223	132.8 Å²	132.8	85%	0.845	75%	0.747	S	S	*	*				69.2	132.2	125.8	-68.3	45.6	0	0	0	122.6
338	M	27.1	Very low	27.8	Very low	145 Å²	145	133.8 Å²	133.8	71%	0.714	74%	0.743	S	S	*	*			trans	72.4	142.6	138.6	-75.8	-164.6	164	0	0	121
339	D	27.4	Very low	28	Very low	117 Å²	117	138 Å²	138	63%	0.626	74%	0.744	S	S	*	*			cis	-160.8	165.1	-20.6	-143.3	-45.2	0	0	0	111.8
340	S	26.8	Very low	28.2	Very low	81 Å²	81	138.3 Å²	138.3	57%	0.566	74%	0.738	S	S	*	*			trans	45.4	123.5	144.1	-73.5	0	0	0	0	121.7
341	Y	28.6	Very low	28.3	Very low	243 Å²	243	139.6 Å²	139.6	95%	0.953	74%	0.736	S	S	*	*				-146.1	135	114.7	-107.7	-75	0	0	0	110.9
342	S	30.9	Very low	28.7	Very low	116 Å²	116	137 Å²	137	81%	0.811	73%	0.733	S	S	*	*			trans	-96	141.6	-173.4	-58.1	0	0	0	0	112.9
343	G	29.6	Very low	29	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	74%	0.74	S	S	*	*			trans	-158	118.8	171.9	0	0	0	0	0	111.6
344	P	36.3	Very low	29.2	Very low	119 Å²	119	143 Å²	143	77%	0.773	76%	0.756	S	S	*	*			trans	-95.5	122	-174.7	33.7	-30.9	0	0	0	112.7
345	Y	30.9	Very low	29.5	Very low	245 Å²	245	141 Å²	141	96%	0.961	75%	0.749	S	S	*	*			trans	172.9	110.4	138.5	-100.4	-66.1	0	0	0	109.6
346	G	29.7	Very low	29.6	Very low	75 Å²	75	147.2 Å²	147.2	77%	0.773	76%	0.763	S	S	*	*			trans	151.2	143.6	166.8	0	0	0	0	0	117.2
347	D	28	Very low	29.3	Very low	158 Å²	158	149 Å²	149	85%	0.845	77%	0.772	S	S	*	*			trans	79.5	163.5	152.4	-136.2	-5.5	0	0	0	121.7
348	M	29.9	Very low	29.4	Very low	151 Å²	151	146.2 Å²	146.2	74%	0.744	77%	0.772	S	S	*	*			trans	-67.2	144.7	-162.7	-71.1	164.3	35.4	0	0	115.4	L350	M348-L350 HydrophobicContact CE-CB 4.42Å
349	R	27.6	Very low	30	Very low	213 Å²	213	144.2 Å²	144.2	80%	0.804	77%	0.77	S	S	*	*			trans	-103.7	88.2	151	-166.6	177.5	-176.2	121.4	-3.2	110.8	E351	R349-E351 HydrophobicContact CG-CG 4.37Å; R349-E351 IonicContact CZ-OE1 3.13Å; R349-E351 VanDerWaalsContact CZ-OE1 3.25Å; R349-E351 IonicContact NE-OE1 2.66Å; R349-E351 PolarHBondContact NE-OE1 2.84Å; R349-E351 IonicContact NH2-OE1 3.8Å; R349-E351 PolarHBondContact NH2-OE1 3.47Å
350	L	29.7	Very low	30	Very low	124 Å²	124	146 Å²	146	65%	0.649	78%	0.778	S	S	*	*			trans	-68.9	139	153.7	177.6	68.7	0	0	0	108.3	M348 T352	M348-L350 HydrophobicContact CE-CB 4.42Å; L350-T352 WeakPolarHBondContact CG-OG1 3.3Å
351	E	25.9	Very low	30.2	Very low	146 Å²	146	148.9 Å²	148.9	68%	0.682	79%	0.787	S	S	*	*			trans	-114.8	123.9	156.2	-70.7	-153.9	167.9	0	0	109.5	R349	R349-E351 HydrophobicContact CG-CG 4.37Å; R349-E351 IonicContact CZ-OE1 3.13Å; R349-E351 VanDerWaalsContact CZ-OE1 3.25Å; R349-E351 IonicContact NE-OE1 2.66Å; R349-E351 PolarHBondContact NE-OE1 2.84Å; R349-E351 IonicContact NH2-OE1 3.8Å; R349-E351 PolarHBondContact NH2-OE1 3.47Å
352	T	29.4	Very low	30.4	Very low	103 Å²	103	147.9 Å²	147.9	63%	0.632	78%	0.783	S	S	*	*			trans	-143.1	123.3	176.1	-62.3	0	0	0	0	107.1	L350	L350-T352 WeakPolarHBondContact CG-OG1 3.3Å
353	A	30	Very low	30.5	Very low	87 Å²	87	152.1 Å²	152.1	72%	0.719	78%	0.783	S	S	*	*			trans	168.1	114.7	134.6	0	0	0	0	0	111
354	R	28.5	Very low	30.4	Very low	254 Å²	254	156.6 Å²	156.6	96%	0.958	78%	0.783	S	S	*	*				-167.6	68.7	125.9	-105.2	173.5	-171.7	-159	1.2	110.2
355	D	29.7	Very low	30.5	Very low	131 Å²	131	155.8 Å²	155.8	70%	0.701	78%	0.778	S	S	*	*			trans	-64.7	156.6	159.4	-77.8	-71.1	0	0	0	111.5
356	H	32.4	Very low	31.3	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.866	77%	0.766	S	S	*	*			trans	144.8	51	151.6	-71.2	-36.5	0	0	0	112.9
357	V	31.3	Very low	32.3	Very low	141 Å²	141	153.2 Å²	153.2	86%	0.855	76%	0.764	S	S	*	*			trans	-137.6	123.4	158.4	-175	0	0	0	0	109.7
358	L	27.9	Very low	34.7	Very low	163 Å²	163	152.1 Å²	152.1	85%	0.853	75%	0.752	S	S	*	*			trans	-153.2	162.9	172.9	-72	-179.9	0	0	0	107.6
359	P	40	Very low	37.6	Very low	104 Å²	104	148.9 Å²	148.9	68%	0.675	74%	0.74	S	S	*	*			cis	-133.8	135.2	-33.4	33.4	-17.2	0	0	0	112.3
360	I	27.8	Very low	40.7	Very low	154 Å²	154	138.8 Å²	138.8	79%	0.79	70%	0.703	S	S	*	*			trans	-124.5	-17.7	175.4	-77.2	-179	0	0	0	114	Y362	I360-Y362 PolarHBondContact O-N 3.31Å
361	D	30.4	Very low	43.6	Very low	142 Å²	142	137 Å²	137	76%	0.759	69%	0.693	S	S	*	*			trans	-73.9	11.5	-170.2	-56.7	-73.3	0	0	0	116.6	Y363	D361-Y363 PolarHBondContact O-N 3.4Å; D361-Y363 VanDerWaalsContact O-N 3.13Å
362	Y	33.2	Very low	46.9	Very low	222 Å²	222	130.1 Å²	130.1	87%	0.871	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	5.4	-174.4	-125.8	-85.8	0	0	0	115.4	I360	I360-Y362 PolarHBondContact O-N 3.31Å
363	Y	32.1	Very low	50	Low	204 Å²	204	125.3 Å²	125.3	80%	0.8	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-2.3	-176.4	-89.3	-80.1	0	0	0	115.8	D361	D361-Y363 PolarHBondContact O-N 3.4Å; D361-Y363 VanDerWaalsContact O-N 3.13Å
364	F	28	Very low	52.8	Low	165 Å²	165	123.7 Å²	123.7	72%	0.724	62%	0.623	S	S	*	*	S	Bend	trans	-119.5	121.1	177.5	-69.9	-78.7	0	0	0	111.1
365	P	37.9	Very low	56	Low	103 Å²	103	112.8 Å²	112.8	67%	0.669	58%	0.584	S	S	*	*			trans	-55.6	142.6	168.6	-23.2	33.7	0	0	0	110.2	Q367	P365-Q367 PolarHBondContact O-N 3.17Å
366	P	47.1	Very low	58.9	Low	112 Å²	112	113.2 Å²	113.2	73%	0.727	58%	0.582	S	S	*	*			trans	-54.8	119.7	-175.6	21	-33	0	0	0	110.3	K368	P366-K368 WeakPolarHBondContact O-CG 3.44Å; P366-K368 PolarHBondContact O-N 2.98Å
367	Q	51.7	Low	61.7	Low	153 Å²	153	104.9 Å²	104.9	72%	0.715	55%	0.545	S	S	*	.			trans	-59.4	108.1	-172.2	-69.7	-172.5	5.4	0	0	109.8	P365 T369	P365-Q367 PolarHBondContact O-N 3.17Å; Q367-T369 PolarHBondContact O-N 3.25Å
368	K	78.2	Confident	64.3	Low	136 Å²	136	101.5 Å²	101.5	59%	0.591	53%	0.528	S	S	*	.			trans	-68.6	116.6	-172.9	-64.4	-176.8	-178.9	177.5	0	108.4	P366 A377 L385	P366-K368 WeakPolarHBondContact O-CG 3.44Å; P366-K368 PolarHBondContact O-N 2.98Å; K368-A377 HydrophobicContact CB-CB 4.32Å; K368-A377 WeakPolarHBondContact O-CA 3.17Å; K368-A377 WeakPolarHBondContact O-CB 3.1Å; K368-A377 PolarHBondContact O-N 3.14Å; K368-L385 HydrophobicContact CB-CD1 4.2Å; K368-L385 HydrophobicContact CB-CD2 4.19Å
369	T	90.4	Very high	66.6	Low	82 Å²	82	95.1 Å²	95.1	50%	0.503	50%	0.502	S	S	.	.	B	Isolated β-bridge	trans	-93.2	148	-176.5	54.4	0	0	0	0	112.1	Q367 L371 L385	Q367-T369 PolarHBondContact O-N 3.25Å; T369-L371 PolarHBondContact O-N 3.31Å; T369-L385 WeakPolarHBondContact O-CD2 3.16Å
370	C	93.6	Very high	68.7	Low	2 Å²	2	94 Å²	94	1%	0.014	50%	0.496	C	S	.	.			trans	-78.5	115.8	-179.3	174.6	0	0	0	0	111	I372 C373 G374 D375 A377 C387	C370-I372 PolarHBondContact O-N 2.9Å; C370-C373 PolarHBondContact O-N 2.93Å; C370-C373 VanDerWaalsContact SG-SG 3.65Å; C370-G374 PolarHBondContact O-N 3.09Å; C370-D375 WeakPolarHBondContact CA-O 3.4Å; C370-D375 WeakPolarHBondContact CB-O 3.45Å; C370-D375 PolarHBondContact N-O 3.08Å; C370-A377 HydrophobicContact CB-CB 4.4Å; C370-C387 HydrophobicContact CB-CB 3.95Å; C370-C387 PolarHBondContact SG-N 2.92Å; C370-C387 VanDerWaalsContact SG-N 3.36Å
371	L	90.9	Very high	71.3	Confident	87 Å²	87	88.1 Å²	88.1	46%	0.455	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29	-179.2	-58.3	176.6	0	0	0	113.7	T369 L385 K429	T369-L371 PolarHBondContact O-N 3.31Å; L371-L385 HydrophobicContact CD1-CB 4.2Å; L371-L385 HydrophobicContact CG-CB 4.25Å; L371-L385 PolarHBondContact N-O 3.2Å; L371-K429 VanDerWaalsContact O-CE 3.24Å; L371-K429 WeakPolarHBondContact O-CE 3.27Å; L371-K429 PolarHBondContact O-NZ 3.41Å
372	I	95.2	Very high	73.8	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-37.6	178.9	-45.2	-53	0	0	0	112.5	C370 T386 C390 I414 R426 K429 C430 A433 M435	C370-I372 PolarHBondContact O-N 2.9Å; I372-T386 HydrophobicContact CG1-CG2 3.79Å; I372-C390 HydrophobicContact CB-CB 4.43Å; I372-C390 HydrophobicContact CG1-CB 4.25Å; I372-I414 HydrophobicContact CG2-CG2 4.17Å; I372-I414 VanDerWaalsContact O-CG2 3.27Å; I372-I414 WeakPolarHBondContact O-CG2 3.43Å; I372-R426 HydrophobicContact CG2-CG 4.15Å; I372-K429 WeakPolarHBondContact CD1-O 3.44Å; I372-K429 HydrophobicContact CG2-CD 4.47Å; I372-K429 HydrophobicContact CG2-CG 4.47Å; I372-K429 WeakPolarHBondContact O-CD 3.45Å; I372-K429 VanDerWaalsContact O-CE 3.31Å; I372-K429 WeakPolarHBondContact O-CE 3.13Å; I372-K429 PolarHBondContact O-NZ 3.37Å; I372-C430 HydrophobicContact CD1-CB 4.41Å; I372-A433 HydrophobicContact CD1-CB 3.47Å; I372-A433 VanDerWaalsContact CD1-CB 3.47Å; I372-M435 HydrophobicContact CD1-SD 4.18Å; I372-M435 HydrophobicContact CG1-SD 4.29Å
373	C	94.1	Very high	75.7	Confident	3 Å²	3	76 Å²	76	2%	0.02	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.1	11.4	-163.5	70.8	0	0	0	0	117	C370 D375 I414 D415 K416 R419	C370-C373 PolarHBondContact O-N 2.93Å; C370-C373 VanDerWaalsContact SG-SG 3.65Å; C373-D375 PolarHBondContact O-N 3.03Å; C373-I414 HydrophobicContact CB-CG2 4.03Å; C373-D415 CarbonylContact O-C 3.59Å; C373-D415 VanDerWaalsContact O-C 3.25Å; C373-D415 VanDerWaalsContact O-CA 3.3Å; C373-D415 WeakPolarHBondContact O-CA 3.29Å; C373-K416 PolarHBondContact O-N 3.06Å; C373-R419 HydrophobicContact CB-CB 4.35Å; C373-R419 PolarHBondContact SG-NH1 3.46Å; C373-R419 VanDerWaalsContact SG-NH1 3.37Å
374	G	89.4	Confident	78	Confident	53 Å²	53	66.2 Å²	66.2	55%	0.546	38%	0.38	S	S	.	.	S	Bend	trans	71.8	-24	178	0	0	0	0	0	115.9	C370	C370-G374 PolarHBondContact O-N 3.09Å
375	D	93.6	Very high	80.6	Confident	24 Å²	24	60.8 Å²	60.8	13%	0.128	36%	0.358	C	S	.	.	S	Bend	trans	-58.5	157.5	177.2	-163.8	22.4	0	0	0	113.2	C370 C373 A377 C387 K416 R419	C370-D375 WeakPolarHBondContact CA-O 3.4Å; C370-D375 WeakPolarHBondContact CB-O 3.45Å; C370-D375 PolarHBondContact N-O 3.08Å; C373-D375 PolarHBondContact O-N 3.03Å; D375-A377 PolarHBondContact O-N 3.25Å; D375-C387 HydrophobicContact CB-CB 4.24Å; D375-K416 HydrophobicContact CB-CB 4.13Å; D375-K416 HydrophobicContact CB-CD 4.19Å; D375-K416 HydrophobicContact CB-CG 4.01Å; D375-K416 WeakPolarHBondContact OD1-CD 3.16Å; D375-K416 WeakPolarHBondContact OD1-CE 3.49Å; D375-K416 IonicContact OD1-NZ 2.69Å; D375-K416 PolarHBondContact OD1-NZ 2.94Å; D375-R419 IonicContact OD2-CZ 2.67Å; D375-R419 IonicContact OD2-NH1 2.68Å; D375-R419 PolarHBondContact OD2-NH1 2.82Å; D375-R419 IonicContact OD2-NH2 3.25Å; D375-R419 PolarHBondContact OD2-NH2 2.74Å
376	E	92.6	Very high	83.1	Confident	140 Å²	140	55.9 Å²	55.9	65%	0.654	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-57.1	128.1	-174.5	-166.6	-174.7	167.5	0	0	112.6	C387	E376-C387 VanDerWaalsContact O-CA 3.3Å; E376-C387 WeakPolarHBondContact O-CA 3.34Å; E376-C387 WeakPolarHBondContact O-CB 3.48Å
377	A	90.3	Very high	85.4	Confident	12 Å²	12	50.6 Å²	50.6	10%	0.099	29%	0.293	C	S	.	.			trans	-93.2	111.5	-174	0	0	0	0	0	112.4	K368 C370 D375 G379 L385	K368-A377 HydrophobicContact CB-CB 4.32Å; K368-A377 WeakPolarHBondContact O-CA 3.17Å; K368-A377 WeakPolarHBondContact O-CB 3.1Å; K368-A377 PolarHBondContact O-N 3.14Å; C370-A377 HydrophobicContact CB-CB 4.4Å; D375-A377 PolarHBondContact O-N 3.25Å; A377-G379 PolarHBondContact O-N 2.89Å; A377-L385 HydrophobicContact CB-CD1 3.62Å; A377-L385 HydrophobicContact CB-CG 3.71Å
378	S	84.9	Confident	87.4	Confident	71 Å²	71	44.9 Å²	44.9	50%	0.497	28%	0.275	S	S	.	.			trans	-69.9	32.6	171.9	53.6	0	0	0	0	114.3	H381 T386 G388	S378-H381 PolarHBondContact O-CE1 2.95Å; S378-H381 PolarHBondContact O-NE2 3.34Å; S378-H381 PolarHBondContact OG-NE2 3.37Å; S378-T386 PolarHBondContact N-O 3.23Å; S378-T386 PolarHBondContact OG-O 2.8Å; S378-G388 PolarHBondContact OG-N 2.76Å
379	G	77.6	Confident	88.2	Confident	29 Å²	29	40.7 Å²	40.7	30%	0.299	26%	0.262	S	S	.	.	S	Bend	trans	94	-169.5	-177	0	0	0	0	0	115.6	A377 H381 T386	A377-G379 PolarHBondContact O-N 2.89Å; G379-H381 PolarHBondContact O-CD2 2.84Å; G379-H381 VanDerWaalsContact O-CD2 3.31Å; G379-T386 PolarHBondContact O-N 2.8Å
380	C	82.6	Confident	88.5	Confident	81 Å²	81	36.8 Å²	36.8	55%	0.547	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.5	179.4	-174	0	0	0	0	110.9	G383 A384	C380-G383 VanDerWaalsContact SG-C 3.55Å; C380-A384 WeakPolarHBondContact CA-O 3.45Å
381	H	82.7	Confident	88.5	Confident	30 Å²	30	40.5 Å²	40.5	14%	0.139	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.7	175.4	-52.4	-80.5	0	0	0	109.2	S378 G379 G383 A384 T386 K391	S378-H381 PolarHBondContact O-CE1 2.95Å; S378-H381 PolarHBondContact O-NE2 3.34Å; S378-H381 PolarHBondContact OG-NE2 3.37Å; G379-H381 PolarHBondContact O-CD2 2.84Å; G379-H381 VanDerWaalsContact O-CD2 3.31Å; H381-G383 PolarHBondContact O-N 3.49Å; H381-A384 PolarHBondContact N-O 3.23Å; H381-A384 PolarHBondContact O-N 3.37Å; H381-A384 VanDerWaalsContact O-N 3.09Å; H381-A384 VanDerWaalsContact O-O 3.14Å; H381-T386 PolarHBondContact CD2-O 2.95Å; H381-T386 PolarHBondContact CD2-OG1 2.92Å; H381-K391 HydrophobicContact CB-CB 4Å; H381-K391 HydrophobicContact CB-CD 4.32Å; H381-K391 HydrophobicContact CB-CG 3.88Å; H381-K391 PolarHBondContact CE1-NZ 2.95Å; H381-K391 VanDerWaalsContact CE1-NZ 3.27Å; H381-K391 VanDerWaalsContact ND1-CD 3.32Å; H381-K391 WeakPolarHBondContact ND1-CD 3.31Å; H381-K391 VanDerWaalsContact ND1-CE 3.32Å; H381-K391 WeakPolarHBondContact ND1-CE 3.36Å; H381-K391 PolarHBondContact ND1-NZ 3.39Å
382	Y	83.8	Confident	88.7	Confident	71 Å²	71	39.6 Å²	39.6	28%	0.278	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	13.9	179.6	-56.4	-74	0	0	0	116.1	K391 F394 K395 M435 T436 L437	Y382-K391 HydrophobicContact CE2-CG 3.93Å; Y382-K391 WeakPolarHBondContact CE2-O 3.24Å; Y382-F394 HydrophobicContact CD1-CD1 4.11Å; Y382-F394 HydrophobicContact CD1-CE1 4.13Å; Y382-F394 AromaticContact CD2-CD1 3.69Å; Y382-F394 HydrophobicContact CD2-CD1 3.69Å; Y382-F394 HydrophobicContact CD2-CE1 4.43Å; Y382-F394 HydrophobicContact CE2-CD1 4.31Å; Y382-F394 AromaticContact CG-CD1 3.58Å; Y382-F394 HydrophobicContact CG-CD1 3.58Å; Y382-F394 AromaticContact CG-CE1 3.86Å; Y382-F394 HydrophobicContact CG-CE1 3.86Å; Y382-K395 HydrophobicContact CE2-CB 4.31Å; Y382-K395 WeakPolarHBondContact OH-CB 3.43Å; Y382-K395 WeakPolarHBondContact OH-CD 3.36Å; Y382-K395 WeakPolarHBondContact OH-CG 3.4Å; Y382-M435 HydrophobicContact CD2-CE 3.85Å; Y382-M435 HydrophobicContact CG-CE 4.34Å; Y382-M435 CarbonylContact O-C 3.21Å; Y382-M435 WeakPolarHBondContact O-CA 3.23Å; Y382-T436 WeakPolarHBondContact CB-O 3.15Å; Y382-T436 WeakPolarHBondContact CD1-O 3.33Å; Y382-T436 PolarHBondContact O-N 3.39Å; Y382-L437 HydrophobicContact CD1-CD2 4.06Å; Y382-L437 HydrophobicContact CE1-CD2 3.85Å
383	G	73.6	Confident	88.8	Confident	37 Å²	37	41.1 Å²	41.1	38%	0.381	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.5	-9.8	-177.6	0	0	0	0	0	114.9	C380 H381 I483	C380-G383 VanDerWaalsContact SG-C 3.55Å; H381-G383 PolarHBondContact O-N 3.49Å; G383-I483 VanDerWaalsContact O-CD1 3.25Å; G383-I483 WeakPolarHBondContact O-CD1 2.95Å
384	A	79.2	Confident	88.8	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.9	-176.8	0	0	0	0	0	113.9	C380 H381 T386 A433 M435	C380-A384 WeakPolarHBondContact CA-O 3.45Å; H381-A384 PolarHBondContact N-O 3.23Å; H381-A384 PolarHBondContact O-N 3.37Å; H381-A384 VanDerWaalsContact O-N 3.09Å; H381-A384 VanDerWaalsContact O-O 3.14Å; A384-T386 HydrophobicContact CB-CG2 4.16Å; A384-T386 PolarHBondContact O-N 2.84Å; A384-T386 PolarHBondContact O-OG1 3.18Å; A384-A433 HydrophobicContact CB-CB 4.33Å; A384-A433 WeakPolarHBondContact CB-O 3.48Å; A384-M435 HydrophobicContact CB-CG 3.55Å; A384-M435 HydrophobicContact CB-SD 4.36Å
385	L	83.8	Confident	88.9	Confident	50 Å²	50	42.9 Å²	42.9	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	110.3	174.1	-180	64.3	0	0	0	110.6	K368 T369 L371 A377	K368-L385 HydrophobicContact CB-CD1 4.2Å; K368-L385 HydrophobicContact CB-CD2 4.19Å; T369-L385 WeakPolarHBondContact O-CD2 3.16Å; L371-L385 HydrophobicContact CD1-CB 4.2Å; L371-L385 HydrophobicContact CG-CB 4.25Å; L371-L385 PolarHBondContact N-O 3.2Å; A377-L385 HydrophobicContact CB-CD1 3.62Å; A377-L385 HydrophobicContact CB-CG 3.71Å
386	T	90.8	Very high	88.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.			trans	-144.3	147.7	-168.2	50.4	0	0	0	0	115.8	I372 S378 G379 H381 A384 C390 M435	I372-T386 HydrophobicContact CG1-CG2 3.79Å; S378-T386 PolarHBondContact N-O 3.23Å; S378-T386 PolarHBondContact OG-O 2.8Å; G379-T386 PolarHBondContact O-N 2.8Å; H381-T386 PolarHBondContact CD2-O 2.95Å; H381-T386 PolarHBondContact CD2-OG1 2.92Å; A384-T386 HydrophobicContact CB-CG2 4.16Å; A384-T386 PolarHBondContact O-N 2.84Å; A384-T386 PolarHBondContact O-OG1 3.18Å; T386-C390 HydrophobicContact CG2-CB 4.23Å; T386-M435 HydrophobicContact CG2-CE 4.06Å; T386-M435 HydrophobicContact CG2-SD 3.92Å
387	C	95.3	Very high	88.7	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.014	25%	0.248	C	C	.	.			trans	-69.8	155.9	168.9	69.5	0	0	0	0	111.1	C370 D375 E376 S389 C390 K391 R419	C370-C387 HydrophobicContact CB-CB 3.95Å; C370-C387 PolarHBondContact SG-N 2.92Å; C370-C387 VanDerWaalsContact SG-N 3.36Å; D375-C387 HydrophobicContact CB-CB 4.24Å; E376-C387 VanDerWaalsContact O-CA 3.3Å; E376-C387 WeakPolarHBondContact O-CA 3.34Å; E376-C387 WeakPolarHBondContact O-CB 3.48Å; C387-S389 PolarHBondContact O-N 3.47Å; C387-S389 VanDerWaalsContact O-N 3.09Å; C387-S389 PolarHBondContact SG-OG 2.93Å; C387-C390 PolarHBondContact O-N 3.02Å; C387-K391 PolarHBondContact O-N 2.8Å; C387-K391 VanDerWaalsContact O-N 3.1Å; C387-R419 PolarHBondContact SG-NH1 2.91Å
388	G	93.6	Very high	88.5	Confident	33 Å²	33	44.5 Å²	44.5	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-55.4	-31.4	-179.3	0	0	0	0	0	114	S378 V392	S378-G388 PolarHBondContact OG-N 2.76Å; G388-V392 WeakPolarHBondContact O-CG2 3.44Å; G388-V392 PolarHBondContact O-N 2.7Å; G388-V392 VanDerWaalsContact O-N 3.15Å
389	S	94.9	Very high	88.3	Confident	47 Å²	47	46.6 Å²	46.6	33%	0.329	26%	0.256	S	S	.	.	H	α-helix	trans	-70.7	-34.6	176.7	91.3	0	0	0	0	112.9	C387 F393 R419 R426	C387-S389 PolarHBondContact O-N 3.47Å; C387-S389 VanDerWaalsContact O-N 3.09Å; C387-S389 PolarHBondContact SG-OG 2.93Å; S389-F393 WeakPolarHBondContact O-CB 3.3Å; S389-F393 PolarHBondContact O-N 2.74Å; S389-R419 PolarHBondContact OG-NH1 3.42Å; S389-R426 VanDerWaalsContact C-NH2 3.33Å; S389-R426 PolarHBondContact O-NH2 2.89Å; S389-R426 PolarHBondContact OG-NH2 3.31Å
390	C	95.9	Very high	88.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-75.2	-36.7	176.7	-73.9	0	0	0	0	112	I372 T386 C387 F394 R426	I372-C390 HydrophobicContact CB-CB 4.43Å; I372-C390 HydrophobicContact CG1-CB 4.25Å; T386-C390 HydrophobicContact CG2-CB 4.23Å; C387-C390 PolarHBondContact O-N 3.02Å; C390-F394 VanDerWaalsContact O-CB 3.29Å; C390-F394 WeakPolarHBondContact O-CB 3.38Å; C390-F394 PolarHBondContact O-N 3.25Å; C390-R426 PolarHBondContact SG-NH2 3Å
391	K	94.7	Very high	87.5	Confident	81 Å²	81	53 Å²	53	35%	0.352	28%	0.276	S	S	.	.	H	α-helix	trans	-52	-57.8	168.1	174.3	-170.5	-168.9	151.7	0	111.6	H381 Y382 C387 F394 K395	H381-K391 HydrophobicContact CB-CB 4Å; H381-K391 HydrophobicContact CB-CD 4.32Å; H381-K391 HydrophobicContact CB-CG 3.88Å; H381-K391 PolarHBondContact CE1-NZ 2.95Å; H381-K391 VanDerWaalsContact CE1-NZ 3.27Å; H381-K391 VanDerWaalsContact ND1-CD 3.32Å; H381-K391 WeakPolarHBondContact ND1-CD 3.31Å; H381-K391 VanDerWaalsContact ND1-CE 3.32Å; H381-K391 WeakPolarHBondContact ND1-CE 3.36Å; H381-K391 PolarHBondContact ND1-NZ 3.39Å; Y382-K391 HydrophobicContact CE2-CG 3.93Å; Y382-K391 WeakPolarHBondContact CE2-O 3.24Å; C387-K391 PolarHBondContact O-N 2.8Å; C387-K391 VanDerWaalsContact O-N 3.1Å; K391-F394 PolarHBondContact O-N 3.09Å; K391-K395 PolarHBondContact O-N 3.16Å; K391-K395 VanDerWaalsContact O-N 3.15Å
392	V	94.6	Very high	87.2	Confident	68 Å²	68	58.4 Å²	58.4	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-69.8	-36.9	-175.5	176.1	0	0	0	0	111.7	G388 R396	G388-V392 WeakPolarHBondContact O-CG2 3.44Å; G388-V392 PolarHBondContact O-N 2.7Å; G388-V392 VanDerWaalsContact O-N 3.15Å; V392-R396 WeakPolarHBondContact O-CG 3.49Å; V392-R396 PolarHBondContact O-N 3.06Å
393	F	95.9	Very high	87	Confident	32 Å²	32	64.2 Å²	64.2	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-53.7	172.8	171.8	-99	0	0	0	111.4	S389 K395 R396 A397 P423 R426 L427	S389-F393 WeakPolarHBondContact O-CB 3.3Å; S389-F393 PolarHBondContact O-N 2.74Å; F393-K395 VanDerWaalsContact C-N 3.34Å; F393-K395 PolarHBondContact O-N 2.89Å; F393-R396 PolarHBondContact O-N 2.99Å; F393-A397 HydrophobicContact CE1-CB 4.11Å; F393-A397 HydrophobicContact CE2-CB 4.12Å; F393-A397 HydrophobicContact CZ-CB 3.89Å; F393-A397 WeakPolarHBondContact O-CB 3.47Å; F393-A397 PolarHBondContact O-N 3.42Å; F393-P423 HydrophobicContact CE2-CB 4.15Å; F393-P423 HydrophobicContact CZ-CB 4.31Å; F393-P423 WeakPolarHBondContact CZ-O 3.33Å; F393-R426 HydrophobicContact CD1-CG 3.84Å; F393-R426 HydrophobicContact CE1-CB 3.94Å; F393-R426 HydrophobicContact CE1-CG 3.56Å; F393-R426 HydrophobicContact CZ-CB 4.08Å; F393-R426 HydrophobicContact CZ-CG 4.1Å; F393-L427 HydrophobicContact CE1-CB 4.03Å; F393-L427 HydrophobicContact CZ-CB 4.05Å
394	F	94.5	Very high	87.7	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59	-44.9	-177.1	-179.6	-101.6	0	0	0	111.9	Y382 C390 K391 R396 A397 A398 L427 C430 Y431 M435 L437	Y382-F394 HydrophobicContact CD1-CD1 4.11Å; Y382-F394 HydrophobicContact CD1-CE1 4.13Å; Y382-F394 AromaticContact CD2-CD1 3.69Å; Y382-F394 HydrophobicContact CD2-CD1 3.69Å; Y382-F394 HydrophobicContact CD2-CE1 4.43Å; Y382-F394 HydrophobicContact CE2-CD1 4.31Å; Y382-F394 AromaticContact CG-CD1 3.58Å; Y382-F394 HydrophobicContact CG-CD1 3.58Å; Y382-F394 AromaticContact CG-CE1 3.86Å; Y382-F394 HydrophobicContact CG-CE1 3.86Å; C390-F394 VanDerWaalsContact O-CB 3.29Å; C390-F394 WeakPolarHBondContact O-CB 3.38Å; C390-F394 PolarHBondContact O-N 3.25Å; K391-F394 PolarHBondContact O-N 3.09Å; F394-R396 PolarHBondContact O-N 3.43Å; F394-A397 PolarHBondContact O-N 3.42Å; F394-A398 HydrophobicContact CD2-CB 4.49Å; F394-A398 HydrophobicContact CE1-CB 4.31Å; F394-A398 HydrophobicContact CE2-CB 4.07Å; F394-A398 HydrophobicContact CZ-CB 3.96Å; F394-A398 WeakPolarHBondContact O-CB 3.46Å; F394-A398 PolarHBondContact O-N 2.95Å; F394-L427 HydrophobicContact CD2-CD1 4.06Å; F394-L427 HydrophobicContact CE2-CD1 4.27Å; F394-C430 HydrophobicContact CD2-CB 3.52Å; F394-C430 HydrophobicContact CE2-CB 4.08Å; F394-C430 HydrophobicContact CG-CB 4.42Å; F394-Y431 AromaticContact CE2-CD1 3.85Å; F394-Y431 HydrophobicContact CE2-CD1 3.85Å; F394-Y431 AromaticContact CE2-CE1 3.55Å; F394-Y431 HydrophobicContact CE2-CE1 3.55Å; F394-Y431 HydrophobicContact CZ-CD1 4.27Å; F394-Y431 AromaticContact CZ-CE1 3.84Å; F394-Y431 HydrophobicContact CZ-CE1 3.84Å; F394-M435 HydrophobicContact CB-CE 3.58Å; F394-M435 HydrophobicContact CB-SD 4.2Å; F394-M435 HydrophobicContact CD1-CB 4.06Å; F394-M435 HydrophobicContact CD1-CE 3.91Å; F394-M435 HydrophobicContact CD2-CB 3.87Å; F394-M435 HydrophobicContact CD2-CE 4.43Å; F394-M435 HydrophobicContact CD2-SD 4.28Å; F394-M435 HydrophobicContact CE1-CB 3.85Å; F394-M435 HydrophobicContact CE2-CB 3.64Å; F394-M435 HydrophobicContact CG-CB 4.07Å; F394-M435 HydrophobicContact CG-CE 3.7Å; F394-M435 HydrophobicContact CG-SD 4.12Å; F394-M435 HydrophobicContact CZ-CB 3.64Å; F394-M435 WeakPolarHBondContact CZ-O 3.43Å; F394-L437 HydrophobicContact CD1-CD2 4.24Å; F394-L437 HydrophobicContact CE1-CD2 3.84Å; F394-L437 HydrophobicContact CE1-CG 4.04Å
395	K	91.6	Very high	88.3	Confident	93 Å²	93	73.4 Å²	73.4	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-52.2	-57.2	175.3	-168.8	-175.7	178.6	-177.4	0	111.3	Y382 K391 F393 A397 E399	Y382-K395 HydrophobicContact CE2-CB 4.31Å; Y382-K395 WeakPolarHBondContact OH-CB 3.43Å; Y382-K395 WeakPolarHBondContact OH-CD 3.36Å; Y382-K395 WeakPolarHBondContact OH-CG 3.4Å; K391-K395 PolarHBondContact O-N 3.16Å; K391-K395 VanDerWaalsContact O-N 3.15Å; F393-K395 VanDerWaalsContact C-N 3.34Å; F393-K395 PolarHBondContact O-N 2.89Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 3.09Å; K395-E399 WeakPolarHBondContact CE-OE1 3.32Å; K395-E399 WeakPolarHBondContact CE-OE2 3.48Å; K395-E399 VanDerWaalsContact CG-CD 3.47Å; K395-E399 HydrophobicContact CG-CG 4.36Å; K395-E399 WeakPolarHBondContact CG-OE1 3.25Å; K395-E399 WeakPolarHBondContact CG-OE2 3.36Å; K395-E399 IonicContact NZ-OE1 3.99Å; K395-E399 VanDerWaalsContact O-CB 3.25Å; K395-E399 WeakPolarHBondContact O-CB 3.23Å; K395-E399 VanDerWaalsContact O-CG 3.28Å; K395-E399 WeakPolarHBondContact O-CG 3.47Å; K395-E399 PolarHBondContact O-N 3.47Å
396	R	92.6	Very high	88.7	Confident	179 Å²	179	72.2 Å²	72.2	68%	0.675	36%	0.358	S	S	*	.	H	α-helix	trans	-63.5	-36.4	-177.9	-67.4	175.5	-179.8	-176.4	0.5	112.9	V392 F393 F394 G400	V392-R396 WeakPolarHBondContact O-CG 3.49Å; V392-R396 PolarHBondContact O-N 3.06Å; F393-R396 PolarHBondContact O-N 2.99Å; F394-R396 PolarHBondContact O-N 3.43Å; R396-G400 WeakPolarHBondContact O-CA 3.43Å; R396-G400 PolarHBondContact O-N 3.39Å; R396-G400 VanDerWaalsContact O-N 3.07Å
397	A	90.1	Very high	88.7	Confident	5 Å²	5	77.7 Å²	77.7	4%	0.041	40%	0.403	C	S	.	.	H	α-helix	trans	-80.4	-27.4	-174.4	0	0	0	0	0	113.7	F393 F394 K395 Y404 L427	F393-A397 HydrophobicContact CE1-CB 4.11Å; F393-A397 HydrophobicContact CE2-CB 4.12Å; F393-A397 HydrophobicContact CZ-CB 3.89Å; F393-A397 WeakPolarHBondContact O-CB 3.47Å; F393-A397 PolarHBondContact O-N 3.42Å; F394-A397 PolarHBondContact O-N 3.42Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 3.09Å; A397-Y404 HydrophobicContact CB-CE2 3.65Å; A397-L427 HydrophobicContact CB-CD1 3.82Å; A397-L427 HydrophobicContact CB-CD2 4.17Å; A397-L427 HydrophobicContact CB-CG 4.46Å
398	A	85.1	Confident	88.5	Confident	26 Å²	26	80.3 Å²	80.3	22%	0.215	42%	0.421	C	S	.	.	H	α-helix	trans	-96.9	-25.4	177.2	0	0	0	0	0	113.3	F394 Y431 L437	F394-A398 HydrophobicContact CD2-CB 4.49Å; F394-A398 HydrophobicContact CE1-CB 4.31Å; F394-A398 HydrophobicContact CE2-CB 4.07Å; F394-A398 HydrophobicContact CZ-CB 3.96Å; F394-A398 WeakPolarHBondContact O-CB 3.46Å; F394-A398 PolarHBondContact O-N 2.95Å; A398-Y431 WeakPolarHBondContact CB-OH 3.43Å; A398-L437 VanDerWaalsContact C-CD1 3.45Å; A398-L437 HydrophobicContact CB-CD1 3.5Å; A398-L437 VanDerWaalsContact CB-CD1 3.5Å; A398-L437 HydrophobicContact CB-CD2 4.32Å; A398-L437 HydrophobicContact CB-CG 3.81Å
399	E	82.4	Confident	88.3	Confident	115 Å²	115	89.3 Å²	89.3	54%	0.537	45%	0.445	S	S	.	.	H	α-helix	trans	-81.8	-24.8	170.2	-66.8	175.4	176.2	0	0	112.1	K395 L437	K395-E399 WeakPolarHBondContact CE-OE1 3.32Å; K395-E399 WeakPolarHBondContact CE-OE2 3.48Å; K395-E399 VanDerWaalsContact CG-CD 3.47Å; K395-E399 HydrophobicContact CG-CG 4.36Å; K395-E399 WeakPolarHBondContact CG-OE1 3.25Å; K395-E399 WeakPolarHBondContact CG-OE2 3.36Å; K395-E399 IonicContact NZ-OE1 3.99Å; K395-E399 VanDerWaalsContact O-CB 3.25Å; K395-E399 WeakPolarHBondContact O-CB 3.23Å; K395-E399 VanDerWaalsContact O-CG 3.28Å; K395-E399 WeakPolarHBondContact O-CG 3.47Å; K395-E399 PolarHBondContact O-N 3.47Å; E399-L437 HydrophobicContact CB-CD1 4.44Å; E399-L437 HydrophobicContact CG-CD1 3.59Å; E399-L437 HydrophobicContact CG-CD2 4.24Å
400	G	75.1	Confident	87.9	Confident	35 Å²	35	91.2 Å²	91.2	36%	0.361	45%	0.451	S	S	.	.	S	Bend	trans	-80.7	143.4	-176.1	0	0	0	0	0	113.9	R396 Q402	R396-G400 WeakPolarHBondContact O-CA 3.43Å; R396-G400 PolarHBondContact O-N 3.39Å; R396-G400 VanDerWaalsContact O-N 3.07Å; G400-Q402 PolarHBondContact O-N 2.86Å; G400-Q402 VanDerWaalsContact O-N 3.11Å
401	K	67.5	Low	87.6	Confident	210 Å²	210	95.8 Å²	95.8	91%	0.913	48%	0.476	S	S	*	.			trans	-73.9	9.5	172.9	-62.3	-177.9	179.6	178.4	0	114.1
402	Q	75.8	Confident	87.5	Confident	142 Å²	142	93.7 Å²	93.7	66%	0.664	47%	0.471	S	S	*	.			trans	-84.7	118.7	-171.8	-65.9	-65	-4.2	0	0	111.2	G400 Y404	G400-Q402 PolarHBondContact O-N 2.86Å; G400-Q402 VanDerWaalsContact O-N 3.11Å; Q402-Y404 PolarHBondContact O-N 3.02Å
403	K	79.7	Confident	87.4	Confident	194 Å²	194	94.7 Å²	94.7	84%	0.843	48%	0.478	S	S	*	.			trans	-84.2	102.8	177.9	-66.6	-176.5	180	-179.2	0	110.1	L405	K403-L405 PolarHBondContact O-N 2.97Å
404	Y	89.4	Confident	87.3	Confident	75 Å²	75	93.7 Å²	93.7	29%	0.294	47%	0.474	S	S	.	.			trans	-78.1	111.3	175.6	-57.2	-75.2	0	0	0	111.3	A397 Q402 P423 S424 L427	A397-Y404 HydrophobicContact CB-CE2 3.65Å; Q402-Y404 PolarHBondContact O-N 3.02Å; Y404-P423 HydrophobicContact CD1-CB 3.43Å; Y404-P423 VanDerWaalsContact CD1-CB 3.43Å; Y404-P423 HydrophobicContact CD1-CG 4.29Å; Y404-P423 HydrophobicContact CE1-CB 3.84Å; Y404-P423 HydrophobicContact CG-CB 3.94Å; Y404-S424 VanDerWaalsContact O-CB 3.23Å; Y404-S424 WeakPolarHBondContact O-CB 3.46Å; Y404-S424 PolarHBondContact O-OG 2.89Å; Y404-L427 HydrophobicContact CD2-CD2 3.78Å; Y404-L427 HydrophobicContact CE2-CD2 4.22Å
405	L	90.8	Very high	87.3	Confident	154 Å²	154	95.6 Å²	95.6	81%	0.806	48%	0.484	S	S	*	.			trans	-88.9	152.2	168.8	-59.6	177.5	0	0	0	110.5	K403 S424	K403-L405 PolarHBondContact O-N 2.97Å; L405-S424 VanDerWaalsContact C-CB 3.47Å; L405-S424 WeakPolarHBondContact O-CB 3.43Å
406	C	93.6	Very high	87.3	Confident	25 Å²	25	96 Å²	96	17%	0.169	49%	0.485	C	S	.	.			trans	-91.1	145.9	169.3	-166.8	0	0	0	0	110.3	S408 N410 C422 C425	C406-S408 PolarHBondContact SG-N 3.21Å; C406-S408 PolarHBondContact SG-OG 3.46Å; C406-S408 VanDerWaalsContact SG-OG 3.37Å; C406-N410 HydrophobicContact CB-CB 4.46Å; C406-N410 WeakPolarHBondContact CB-OD1 3.47Å; C406-C422 PolarHBondContact SG-SG 3.15Å; C406-C425 VanDerWaalsContact SG-SG 3.61Å
407	A	90.4	Very high	87.3	Confident	115 Å²	115	95.3 Å²	95.3	95%	0.95	49%	0.488	S	S	*	.	S	Bend	trans	-87	-7.2	171.5	0	0	0	0	0	113.4
408	S	89.9	Confident	87.3	Confident	57 Å²	57	100.6 Å²	100.6	40%	0.399	51%	0.506	S	S	.	.	S	Bend	trans	-120.6	-162.2	174.7	76.7	0	0	0	0	111	C406 N410 D411 C412	C406-S408 PolarHBondContact SG-N 3.21Å; C406-S408 PolarHBondContact SG-OG 3.46Å; C406-S408 VanDerWaalsContact SG-OG 3.37Å; S408-N410 PolarHBondContact O-N 2.66Å; S408-D411 WeakPolarHBondContact CB-OD1 3.47Å; S408-D411 PolarHBondContact OG-OD1 3.26Å; S408-C412 PolarHBondContact OG-SG 3.22Å
409	R	89.4	Confident	87.7	Confident	223 Å²	223	101 Å²	101	84%	0.842	50%	0.503	S	S	*	.	S	Bend	trans	-76	33.6	-177.2	-58	175.9	174.2	178.4	-3	113.7	D411	R409-D411 PolarHBondContact N-OD1 3.36Å; R409-D411 PolarHBondContact O-N 2.98Å
410	N	87.4	Confident	88.2	Confident	86 Å²	86	104.2 Å²	104.2	46%	0.46	52%	0.515	S	S	.	.	S	Bend	trans	56.6	25	-174.2	-62.9	-71.4	0	0	0	114.9	C406 S408 C425 R428	C406-N410 HydrophobicContact CB-CB 4.46Å; C406-N410 WeakPolarHBondContact CB-OD1 3.47Å; S408-N410 PolarHBondContact O-N 2.66Å; N410-C425 PolarHBondContact O-SG 3.11Å; N410-R428 VanDerWaalsContact O-CZ 3.31Å; N410-R428 PolarHBondContact O-NE 3.47Å; N410-R428 VanDerWaalsContact O-NE 3.16Å; N410-R428 PolarHBondContact O-NH2 2.84Å
411	D	90.1	Very high	89	Confident	96 Å²	96	108.5 Å²	108.5	51%	0.513	53%	0.529	S	S	.	.			trans	-113.5	2.6	-164.7	56.6	-16.5	0	0	0	114.9	S408 R409 T413	S408-D411 WeakPolarHBondContact CB-OD1 3.47Å; S408-D411 PolarHBondContact OG-OD1 3.26Å; R409-D411 PolarHBondContact N-OD1 3.36Å; R409-D411 PolarHBondContact O-N 2.98Å; D411-T413 PolarHBondContact O-N 3.18Å
412	C	92.6	Very high	90.4	Very high	38 Å²	38	98.9 Å²	98.9	26%	0.257	49%	0.489	S	S	.	.			trans	-58.2	130.1	-170.4	-49.2	0	0	0	0	113.9	S408 I414 C422 C425	S408-C412 PolarHBondContact OG-SG 3.22Å; C412-I414 PolarHBondContact O-N 3.39Å; C412-C422 HydrophobicContact CB-CB 3.79Å; C412-C422 VanDerWaalsContact SG-CB 3.54Å; C412-C422 VanDerWaalsContact SG-SG 3.69Å; C412-C425 HydrophobicContact CB-CB 3.93Å; C412-C425 PolarHBondContact N-SG 3.39Å
413	T	91.3	Very high	91.2	Very high	89 Å²	89	94.3 Å²	94.3	55%	0.546	47%	0.471	S	S	.	.			trans	-63.2	132.3	171.5	-33.2	0	0	0	0	111.3	D411	D411-T413 PolarHBondContact O-N 3.18Å
414	I	95.1	Very high	91.9	Very high	11 Å²	11	86 Å²	86	6%	0.056	44%	0.437	C	S	.	.			trans	-113.6	113.6	-179.3	-52.7	-59.2	0	0	0	110.1	I372 C373 C412 R419 C425 R426 K429	I372-I414 HydrophobicContact CG2-CG2 4.17Å; I372-I414 VanDerWaalsContact O-CG2 3.27Å; I372-I414 WeakPolarHBondContact O-CG2 3.43Å; C373-I414 HydrophobicContact CB-CG2 4.03Å; C412-I414 PolarHBondContact O-N 3.39Å; I414-R419 HydrophobicContact CG2-CB 3.85Å; I414-C425 HydrophobicContact CD1-CB 4.06Å; I414-C425 HydrophobicContact CG1-CB 4.5Å; I414-R426 HydrophobicContact CD1-CB 4.09Å; I414-R426 HydrophobicContact CG1-CB 4.47Å; I414-R426 HydrophobicContact CG2-CB 4.45Å; I414-R426 HydrophobicContact CG2-CG 4.19Å; I414-K429 HydrophobicContact CB-CD 4.12Å; I414-K429 HydrophobicContact CG1-CD 4.32Å
415	D	93.5	Very high	92.2	Very high	39 Å²	39	82.4 Å²	82.4	21%	0.209	42%	0.423	C	S	.	.			trans	-135.2	-177.9	176.1	63.5	49.8	0	0	0	111.9	C373 F417 R418 R419	C373-D415 CarbonylContact O-C 3.59Å; C373-D415 VanDerWaalsContact O-C 3.25Å; C373-D415 VanDerWaalsContact O-CA 3.3Å; C373-D415 WeakPolarHBondContact O-CA 3.29Å; D415-F417 PolarHBondContact O-N 3.18Å; D415-F417 VanDerWaalsContact O-N 3.09Å; D415-F417 WeakPolarHBondContact OD1-CA 3.28Å; D415-F417 PolarHBondContact OD1-N 3.48Å; D415-R418 PolarHBondContact OD1-N 2.77Å; D415-R418 IonicContact OD2-CZ 2.97Å; D415-R418 IonicContact OD2-NE 2.72Å; D415-R418 PolarHBondContact OD2-NE 2.76Å; D415-R418 IonicContact OD2-NH2 3.45Å; D415-R418 PolarHBondContact OD2-NH2 2.89Å; D415-R419 WeakPolarHBondContact O-CB 3.43Å; D415-R419 WeakPolarHBondContact O-CD 3.49Å; D415-R419 WeakPolarHBondContact O-CG 3.25Å; D415-R419 PolarHBondContact O-N 2.72Å
416	K	92.1	Very high	92.4	Very high	102 Å²	102	75.9 Å²	75.9	44%	0.443	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.4	-177.5	-175.5	168.8	-177	145.3	0	113.8	C373 D375 R419	C373-K416 PolarHBondContact O-N 3.06Å; D375-K416 HydrophobicContact CB-CB 4.13Å; D375-K416 HydrophobicContact CB-CD 4.19Å; D375-K416 HydrophobicContact CB-CG 4.01Å; D375-K416 WeakPolarHBondContact OD1-CD 3.16Å; D375-K416 WeakPolarHBondContact OD1-CE 3.49Å; D375-K416 IonicContact OD1-NZ 2.69Å; D375-K416 PolarHBondContact OD1-NZ 2.94Å; K416-R419 PolarHBondContact O-NE 2.96Å; K416-R419 PolarHBondContact O-NH2 3.1Å
417	F	92.5	Very high	92.5	Very high	165 Å²	165	75.7 Å²	75.7	72%	0.724	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-52.7	-176.7	-53.8	-80.6	0	0	0	111.1	D415 R419	D415-F417 PolarHBondContact O-N 3.18Å; D415-F417 VanDerWaalsContact O-N 3.09Å; D415-F417 WeakPolarHBondContact OD1-CA 3.28Å; D415-F417 PolarHBondContact OD1-N 3.48Å; F417-R419 VanDerWaalsContact C-N 3.31Å; F417-R419 PolarHBondContact O-N 3.21Å
418	R	90.4	Very high	92.6	Very high	115 Å²	115	74.5 Å²	74.5	43%	0.434	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-75.9	-8.6	-174.8	-67.8	-175.8	-69.3	172.7	-1.7	114.9	D415 K420 N421	D415-R418 PolarHBondContact OD1-N 2.77Å; D415-R418 IonicContact OD2-CZ 2.97Å; D415-R418 IonicContact OD2-NE 2.72Å; D415-R418 PolarHBondContact OD2-NE 2.76Å; D415-R418 IonicContact OD2-NH2 3.45Å; D415-R418 PolarHBondContact OD2-NH2 2.89Å; R418-K420 PolarHBondContact O-N 3.1Å; R418-N421 WeakPolarHBondContact O-CB 3.44Å; R418-N421 PolarHBondContact O-N 3.37Å; R418-N421 PolarHBondContact O-OD1 3.13Å
419	R	92.7	Very high	92.7	Very high	36 Å²	36	74.9 Å²	74.9	14%	0.136	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-60.4	-2.2	173.5	64.5	-172.8	173	177.2	-3.8	116	C373 D375 C387 S389 I414 D415 K416 F417 R426	C373-R419 HydrophobicContact CB-CB 4.35Å; C373-R419 PolarHBondContact SG-NH1 3.46Å; C373-R419 VanDerWaalsContact SG-NH1 3.37Å; D375-R419 IonicContact OD2-CZ 2.67Å; D375-R419 IonicContact OD2-NH1 2.68Å; D375-R419 PolarHBondContact OD2-NH1 2.82Å; D375-R419 IonicContact OD2-NH2 3.25Å; D375-R419 PolarHBondContact OD2-NH2 2.74Å; C387-R419 PolarHBondContact SG-NH1 2.91Å; S389-R419 PolarHBondContact OG-NH1 3.42Å; I414-R419 HydrophobicContact CG2-CB 3.85Å; D415-R419 WeakPolarHBondContact O-CB 3.43Å; D415-R419 WeakPolarHBondContact O-CD 3.49Å; D415-R419 WeakPolarHBondContact O-CG 3.25Å; D415-R419 PolarHBondContact O-N 2.72Å; K416-R419 PolarHBondContact O-NE 2.96Å; K416-R419 PolarHBondContact O-NH2 3.1Å; F417-R419 VanDerWaalsContact C-N 3.31Å; F417-R419 PolarHBondContact O-N 3.21Å; R419-R426 VanDerWaalsContact O-CD 3.28Å; R419-R426 WeakPolarHBondContact O-CD 3.44Å; R419-R426 PolarHBondContact O-NH1 2.96Å
420	K	92.5	Very high	92.8	Very high	182 Å²	182	64.3 Å²	64.3	79%	0.791	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-91.7	-28.6	168	-67.8	-178.4	180	177.1	0	112.5	R418	R418-K420 PolarHBondContact O-N 3.1Å
421	N	93.2	Very high	93	Very high	125 Å²	125	65.8 Å²	65.8	67%	0.668	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-34.4	-164.6	-56.9	35.2	0	0	0	112.9	R418	R418-N421 WeakPolarHBondContact O-CB 3.44Å; R418-N421 PolarHBondContact O-N 3.37Å; R418-N421 PolarHBondContact O-OD1 3.13Å
422	C	95.3	Very high	92.8	Very high	8 Å²	8	67 Å²	67	5%	0.054	31%	0.313	C	S	.	.			trans	-133.4	93.5	176.1	-171.2	0	0	0	0	112.2	C406 C412 S424 C425 R426	C406-C422 PolarHBondContact SG-SG 3.15Å; C412-C422 HydrophobicContact CB-CB 3.79Å; C412-C422 VanDerWaalsContact SG-CB 3.54Å; C412-C422 VanDerWaalsContact SG-SG 3.69Å; C422-S424 PolarHBondContact O-N 2.77Å; C422-C425 HydrophobicContact CB-CB 4.2Å; C422-C425 PolarHBondContact SG-N 3.05Å; C422-C425 PolarHBondContact SG-SG 3.11Å; C422-R426 WeakPolarHBondContact O-CB 3.48Å; C422-R426 PolarHBondContact O-N 3.31Å; C422-R426 VanDerWaalsContact O-N 3.09Å
423	P	93.4	Very high	92.3	Very high	45 Å²	45	66.3 Å²	66.3	29%	0.292	31%	0.31	S	S	.	.	H	α-helix	trans	-57.4	-34.4	171.6	-27.5	37.3	0	0	0	113.4	F393 Y404 R426 L427	F393-P423 HydrophobicContact CE2-CB 4.15Å; F393-P423 HydrophobicContact CZ-CB 4.31Å; F393-P423 WeakPolarHBondContact CZ-O 3.33Å; Y404-P423 HydrophobicContact CD1-CB 3.43Å; Y404-P423 VanDerWaalsContact CD1-CB 3.43Å; Y404-P423 HydrophobicContact CD1-CG 4.29Å; Y404-P423 HydrophobicContact CE1-CB 3.84Å; Y404-P423 HydrophobicContact CG-CB 3.94Å; P423-R426 PolarHBondContact O-N 3.42Å; P423-L427 WeakPolarHBondContact O-CB 3.47Å; P423-L427 PolarHBondContact O-N 3.09Å
424	S	94.4	Very high	91.7	Very high	19 Å²	19	64 Å²	64	13%	0.133	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-54.4	-178.5	-168.9	0	0	0	0	112	Y404 L405 C422 R426 L427 R428	Y404-S424 VanDerWaalsContact O-CB 3.23Å; Y404-S424 WeakPolarHBondContact O-CB 3.46Å; Y404-S424 PolarHBondContact O-OG 2.89Å; L405-S424 VanDerWaalsContact C-CB 3.47Å; L405-S424 WeakPolarHBondContact O-CB 3.43Å; C422-S424 PolarHBondContact O-N 2.77Å; S424-R426 VanDerWaalsContact C-N 3.28Å; S424-R426 PolarHBondContact O-N 2.88Å; S424-L427 PolarHBondContact O-N 3.34Å; S424-R428 WeakPolarHBondContact O-CB 3.36Å; S424-R428 PolarHBondContact O-N 3.28Å
425	C	95.4	Very high	91.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-32.7	176.2	-65.5	0	0	0	0	112.3	C406 N410 C412 I414 C422 K429	C406-C425 VanDerWaalsContact SG-SG 3.61Å; N410-C425 PolarHBondContact O-SG 3.11Å; C412-C425 HydrophobicContact CB-CB 3.93Å; C412-C425 PolarHBondContact N-SG 3.39Å; I414-C425 HydrophobicContact CD1-CB 4.06Å; I414-C425 HydrophobicContact CG1-CB 4.5Å; C422-C425 HydrophobicContact CB-CB 4.2Å; C422-C425 PolarHBondContact SG-N 3.05Å; C422-C425 PolarHBondContact SG-SG 3.11Å; C425-K429 WeakPolarHBondContact O-CB 3.5Å; C425-K429 PolarHBondContact O-N 3.42Å
426	R	96.2	Very high	90.7	Very high	17 Å²	17	65.7 Å²	65.7	6%	0.064	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-44.5	173.5	-172.4	179.3	-176.8	174.7	-2.5	112.2	I372 S389 C390 F393 I414 R419 C422 P423 S424 K429 C430	I372-R426 HydrophobicContact CG2-CG 4.15Å; S389-R426 VanDerWaalsContact C-NH2 3.33Å; S389-R426 PolarHBondContact O-NH2 2.89Å; S389-R426 PolarHBondContact OG-NH2 3.31Å; C390-R426 PolarHBondContact SG-NH2 3Å; F393-R426 HydrophobicContact CD1-CG 3.84Å; F393-R426 HydrophobicContact CE1-CB 3.94Å; F393-R426 HydrophobicContact CE1-CG 3.56Å; F393-R426 HydrophobicContact CZ-CB 4.08Å; F393-R426 HydrophobicContact CZ-CG 4.1Å; I414-R426 HydrophobicContact CD1-CB 4.09Å; I414-R426 HydrophobicContact CG1-CB 4.47Å; I414-R426 HydrophobicContact CG2-CB 4.45Å; I414-R426 HydrophobicContact CG2-CG 4.19Å; R419-R426 VanDerWaalsContact O-CD 3.28Å; R419-R426 WeakPolarHBondContact O-CD 3.44Å; R419-R426 PolarHBondContact O-NH1 2.96Å; C422-R426 WeakPolarHBondContact O-CB 3.48Å; C422-R426 PolarHBondContact O-N 3.31Å; C422-R426 VanDerWaalsContact O-N 3.09Å; P423-R426 PolarHBondContact O-N 3.42Å; S424-R426 VanDerWaalsContact C-N 3.28Å; S424-R426 PolarHBondContact O-N 2.88Å; R426-K429 PolarHBondContact O-N 2.99Å; R426-C430 PolarHBondContact O-N 3.16Å; R426-C430 PolarHBondContact O-SG 3.05Å
427	L	94.4	Very high	90.1	Very high	22 Å²	22	64.5 Å²	64.5	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-42.1	177.7	-179.4	59.5	0	0	0	111.3	F393 F394 A397 Y404 P423 S424 K429 C430 Y431	F393-L427 HydrophobicContact CE1-CB 4.03Å; F393-L427 HydrophobicContact CZ-CB 4.05Å; F394-L427 HydrophobicContact CD2-CD1 4.06Å; F394-L427 HydrophobicContact CE2-CD1 4.27Å; A397-L427 HydrophobicContact CB-CD1 3.82Å; A397-L427 HydrophobicContact CB-CD2 4.17Å; A397-L427 HydrophobicContact CB-CG 4.46Å; Y404-L427 HydrophobicContact CD2-CD2 3.78Å; Y404-L427 HydrophobicContact CE2-CD2 4.22Å; P423-L427 WeakPolarHBondContact O-CB 3.47Å; P423-L427 PolarHBondContact O-N 3.09Å; S424-L427 PolarHBondContact O-N 3.34Å; L427-K429 PolarHBondContact O-N 3.08Å; L427-C430 WeakPolarHBondContact O-CB 3.27Å; L427-C430 PolarHBondContact O-N 2.81Å; L427-C430 VanDerWaalsContact O-N 3.14Å; L427-Y431 HydrophobicContact CD1-CD2 4.18Å; L427-Y431 HydrophobicContact CD1-CE2 3.6Å; L427-Y431 HydrophobicContact CD2-CE2 4.05Å; L427-Y431 HydrophobicContact CG-CD2 4.06Å; L427-Y431 HydrophobicContact CG-CE2 3.56Å; L427-Y431 WeakPolarHBondContact O-CD2 3.35Å; L427-Y431 PolarHBondContact O-N 2.87Å; L427-Y431 VanDerWaalsContact O-N 3.08Å
428	R	92.4	Very high	88.4	Confident	89 Å²	89	58.9 Å²	58.9	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-53.3	-51.9	171.1	-177	179.9	56.7	63.6	-1.6	110.7	N410 S424 C430 Y431 E432	N410-R428 VanDerWaalsContact O-CZ 3.31Å; N410-R428 PolarHBondContact O-NE 3.47Å; N410-R428 VanDerWaalsContact O-NE 3.16Å; N410-R428 PolarHBondContact O-NH2 2.84Å; S424-R428 WeakPolarHBondContact O-CB 3.36Å; S424-R428 PolarHBondContact O-N 3.28Å; R428-C430 VanDerWaalsContact C-N 3.29Å; R428-C430 PolarHBondContact O-N 3.17Å; R428-Y431 PolarHBondContact O-N 3.21Å; R428-Y431 VanDerWaalsContact O-N 3.09Å; R428-E432 WeakPolarHBondContact CD-OE1 3.2Å; R428-E432 VanDerWaalsContact CG-OE1 3.23Å; R428-E432 WeakPolarHBondContact CG-OE1 3.25Å; R428-E432 IonicContact CZ-OE1 2.81Å; R428-E432 IonicContact NE-OE1 3.29Å; R428-E432 IonicContact NH1-OE1 3.96Å; R428-E432 PolarHBondContact NH1-OE1 3.46Å; R428-E432 IonicContact NH1-OE2 3.77Å; R428-E432 PolarHBondContact NH1-OE2 2.91Å; R428-E432 WeakPolarHBondContact O-CG 3.39Å; R428-E432 PolarHBondContact O-N 3.1Å
429	K	93.3	Very high	86.1	Confident	66 Å²	66	58.7 Å²	58.7	29%	0.287	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-30.1	177.6	-166.2	174.3	178.2	-168.5	0	113.6	L371 I372 I414 C425 R426 L427 E432 A433	L371-K429 VanDerWaalsContact O-CE 3.24Å; L371-K429 WeakPolarHBondContact O-CE 3.27Å; L371-K429 PolarHBondContact O-NZ 3.41Å; I372-K429 WeakPolarHBondContact CD1-O 3.44Å; I372-K429 HydrophobicContact CG2-CD 4.47Å; I372-K429 HydrophobicContact CG2-CG 4.47Å; I372-K429 WeakPolarHBondContact O-CD 3.45Å; I372-K429 VanDerWaalsContact O-CE 3.31Å; I372-K429 WeakPolarHBondContact O-CE 3.13Å; I372-K429 PolarHBondContact O-NZ 3.37Å; I414-K429 HydrophobicContact CB-CD 4.12Å; I414-K429 HydrophobicContact CG1-CD 4.32Å; C425-K429 WeakPolarHBondContact O-CB 3.5Å; C425-K429 PolarHBondContact O-N 3.42Å; R426-K429 PolarHBondContact O-N 2.99Å; L427-K429 PolarHBondContact O-N 3.08Å; K429-E432 WeakPolarHBondContact CA-OE2 3.49Å; K429-A433 WeakPolarHBondContact O-CB 3.44Å; K429-A433 PolarHBondContact O-N 3.04Å
430	C	91.4	Very high	83.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.3	-43.7	170.9	-69	0	0	0	0	112.5	I372 F394 R426 L427 R428 A433 G434 M435	I372-C430 HydrophobicContact CD1-CB 4.41Å; F394-C430 HydrophobicContact CD2-CB 3.52Å; F394-C430 HydrophobicContact CE2-CB 4.08Å; F394-C430 HydrophobicContact CG-CB 4.42Å; R426-C430 PolarHBondContact O-N 3.16Å; R426-C430 PolarHBondContact O-SG 3.05Å; L427-C430 WeakPolarHBondContact O-CB 3.27Å; L427-C430 PolarHBondContact O-N 2.81Å; L427-C430 VanDerWaalsContact O-N 3.14Å; R428-C430 VanDerWaalsContact C-N 3.29Å; R428-C430 PolarHBondContact O-N 3.17Å; C430-A433 PolarHBondContact O-N 2.98Å; C430-G434 PolarHBondContact O-N 2.93Å; C430-M435 HydrophobicContact CB-CB 4.32Å; C430-M435 HydrophobicContact CB-CG 4.32Å; C430-M435 HydrophobicContact CB-SD 3.63Å; C430-M435 VanDerWaalsContact O-CB 3.23Å; C430-M435 WeakPolarHBondContact O-CB 3.44Å; C430-M435 VanDerWaalsContact O-CG 3.32Å; C430-M435 WeakPolarHBondContact O-CG 3.19Å; C430-M435 PolarHBondContact O-N 3.47Å
431	Y	89.9	Confident	81.2	Confident	118 Å²	118	69.2 Å²	69.2	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-68.9	-38.4	176.3	-68.4	-55.4	0	0	0	112.4	F394 A398 L427 R428 A433 G434	F394-Y431 AromaticContact CE2-CD1 3.85Å; F394-Y431 HydrophobicContact CE2-CD1 3.85Å; F394-Y431 AromaticContact CE2-CE1 3.55Å; F394-Y431 HydrophobicContact CE2-CE1 3.55Å; F394-Y431 HydrophobicContact CZ-CD1 4.27Å; F394-Y431 AromaticContact CZ-CE1 3.84Å; F394-Y431 HydrophobicContact CZ-CE1 3.84Å; A398-Y431 WeakPolarHBondContact CB-OH 3.43Å; L427-Y431 HydrophobicContact CD1-CD2 4.18Å; L427-Y431 HydrophobicContact CD1-CE2 3.6Å; L427-Y431 HydrophobicContact CD2-CE2 4.05Å; L427-Y431 HydrophobicContact CG-CD2 4.06Å; L427-Y431 HydrophobicContact CG-CE2 3.56Å; L427-Y431 WeakPolarHBondContact O-CD2 3.35Å; L427-Y431 PolarHBondContact O-N 2.87Å; L427-Y431 VanDerWaalsContact O-N 3.08Å; R428-Y431 PolarHBondContact O-N 3.21Å; R428-Y431 VanDerWaalsContact O-N 3.09Å; Y431-A433 VanDerWaalsContact C-N 3.29Å; Y431-A433 PolarHBondContact O-N 3.04Å; Y431-G434 WeakPolarHBondContact O-CA 3.35Å; Y431-G434 PolarHBondContact O-N 3.13Å
432	E	86.6	Confident	78.6	Confident	122 Å²	122	71.4 Å²	71.4	57%	0.57	38%	0.377	S	S	*	.	H	α-helix	trans	-61.9	-35.9	173.7	-71	163.7	175.4	0	0	112.3	R428 K429 G434	R428-E432 WeakPolarHBondContact CD-OE1 3.2Å; R428-E432 VanDerWaalsContact CG-OE1 3.23Å; R428-E432 WeakPolarHBondContact CG-OE1 3.25Å; R428-E432 IonicContact CZ-OE1 2.81Å; R428-E432 IonicContact NE-OE1 3.29Å; R428-E432 IonicContact NH1-OE1 3.96Å; R428-E432 PolarHBondContact NH1-OE1 3.46Å; R428-E432 IonicContact NH1-OE2 3.77Å; R428-E432 PolarHBondContact NH1-OE2 2.91Å; R428-E432 WeakPolarHBondContact O-CG 3.39Å; R428-E432 PolarHBondContact O-N 3.1Å; K429-E432 WeakPolarHBondContact CA-OE2 3.49Å; E432-G434 PolarHBondContact O-N 3.47Å
433	A	82	Confident	75.7	Confident	23 Å²	23	80.5 Å²	80.5	19%	0.19	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	9.7	171.3	0	0	0	0	0	114.1	I372 A384 K429 C430 Y431	I372-A433 HydrophobicContact CD1-CB 3.47Å; I372-A433 VanDerWaalsContact CD1-CB 3.47Å; A384-A433 HydrophobicContact CB-CB 4.33Å; A384-A433 WeakPolarHBondContact CB-O 3.48Å; K429-A433 WeakPolarHBondContact O-CB 3.44Å; K429-A433 PolarHBondContact O-N 3.04Å; C430-A433 PolarHBondContact O-N 2.98Å; Y431-A433 VanDerWaalsContact C-N 3.29Å; Y431-A433 PolarHBondContact O-N 3.04Å
434	G	78.2	Confident	73.1	Confident	40 Å²	40	88 Å²	88	41%	0.412	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	13.5	175.2	0	0	0	0	0	115.9	C430 Y431 E432 T436	C430-G434 PolarHBondContact O-N 2.93Å; Y431-G434 WeakPolarHBondContact O-CA 3.35Å; Y431-G434 PolarHBondContact O-N 3.13Å; E432-G434 PolarHBondContact O-N 3.47Å; G434-T436 PolarHBondContact O-N 3.06Å
435	M	85.5	Confident	70.2	Confident	1 Å²	1	95.7 Å²	95.7	1%	0.005	48%	0.482	C	S	.	.			trans	-68	128.7	178.7	-61	-176.9	78	0	0	111.3	I372 Y382 A384 T386 F394 C430	I372-M435 HydrophobicContact CD1-SD 4.18Å; I372-M435 HydrophobicContact CG1-SD 4.29Å; Y382-M435 HydrophobicContact CD2-CE 3.85Å; Y382-M435 HydrophobicContact CG-CE 4.34Å; Y382-M435 CarbonylContact O-C 3.21Å; Y382-M435 WeakPolarHBondContact O-CA 3.23Å; A384-M435 HydrophobicContact CB-CG 3.55Å; A384-M435 HydrophobicContact CB-SD 4.36Å; T386-M435 HydrophobicContact CG2-CE 4.06Å; T386-M435 HydrophobicContact CG2-SD 3.92Å; F394-M435 HydrophobicContact CB-CE 3.58Å; F394-M435 HydrophobicContact CB-SD 4.2Å; F394-M435 HydrophobicContact CD1-CB 4.06Å; F394-M435 HydrophobicContact CD1-CE 3.91Å; F394-M435 HydrophobicContact CD2-CB 3.87Å; F394-M435 HydrophobicContact CD2-CE 4.43Å; F394-M435 HydrophobicContact CD2-SD 4.28Å; F394-M435 HydrophobicContact CE1-CB 3.85Å; F394-M435 HydrophobicContact CE2-CB 3.64Å; F394-M435 HydrophobicContact CG-CB 4.07Å; F394-M435 HydrophobicContact CG-CE 3.7Å; F394-M435 HydrophobicContact CG-SD 4.12Å; F394-M435 HydrophobicContact CZ-CB 3.64Å; F394-M435 WeakPolarHBondContact CZ-O 3.43Å; C430-M435 HydrophobicContact CB-CB 4.32Å; C430-M435 HydrophobicContact CB-CG 4.32Å; C430-M435 HydrophobicContact CB-SD 3.63Å; C430-M435 VanDerWaalsContact O-CB 3.23Å; C430-M435 WeakPolarHBondContact O-CB 3.44Å; C430-M435 VanDerWaalsContact O-CG 3.32Å; C430-M435 WeakPolarHBondContact O-CG 3.19Å; C430-M435 PolarHBondContact O-N 3.47Å
436	T	83.9	Confident	67	Low	84 Å²	84	99.1 Å²	99.1	52%	0.515	52%	0.518	S	S	.	.			trans	-138.3	150.8	177.9	64	0	0	0	0	112.3	Y382 G434 G438	Y382-T436 WeakPolarHBondContact CB-O 3.15Å; Y382-T436 WeakPolarHBondContact CD1-O 3.33Å; Y382-T436 PolarHBondContact O-N 3.39Å; G434-T436 PolarHBondContact O-N 3.06Å; T436-G438 PolarHBondContact O-N 3.22Å
437	L	79.1	Confident	63.9	Low	77 Å²	77	105.9 Å²	105.9	40%	0.403	56%	0.555	S	S	.	*	S	Bend	trans	-79.4	8.6	179.1	-70.8	179.1	0	0	0	114.8	Y382 F394 A398 E399	Y382-L437 HydrophobicContact CD1-CD2 4.06Å; Y382-L437 HydrophobicContact CE1-CD2 3.85Å; F394-L437 HydrophobicContact CD1-CD2 4.24Å; F394-L437 HydrophobicContact CE1-CD2 3.84Å; F394-L437 HydrophobicContact CE1-CG 4.04Å; A398-L437 VanDerWaalsContact C-CD1 3.45Å; A398-L437 HydrophobicContact CB-CD1 3.5Å; A398-L437 VanDerWaalsContact CB-CD1 3.5Å; A398-L437 HydrophobicContact CB-CD2 4.32Å; A398-L437 HydrophobicContact CB-CG 3.81Å; E399-L437 HydrophobicContact CB-CD1 4.44Å; E399-L437 HydrophobicContact CG-CD1 3.59Å; E399-L437 HydrophobicContact CG-CD2 4.24Å
438	G	55.7	Low	61.1	Low	48 Å²	48	113.1 Å²	113.1	50%	0.495	59%	0.593	S	S	.	*			trans	130.7	154.6	161.2	0	0	0	0	0	115.6	T436 R440	T436-G438 PolarHBondContact O-N 3.22Å; G438-R440 PolarHBondContact O-N 3.2Å
439	A	42.6	Very low	58	Low	110 Å²	110	118.4 Å²	118.4	91%	0.909	62%	0.619	S	S	*	*	S	Bend	trans	-71.3	35.8	179.6	0	0	0	0	0	114.3
440	R	43.5	Very low	54.9	Low	235 Å²	235	123.6 Å²	123.6	89%	0.887	65%	0.648	S	S	*	*	S	Bend	trans	-137.5	48.8	-176	-68.1	-163.4	-69.6	-160	-1.9	114	G438	G438-R440 PolarHBondContact O-N 3.2Å
441	K	38.4	Very low	51.7	Low	204 Å²	204	131.1 Å²	131.1	89%	0.887	68%	0.684	S	S	*	*			trans	-172.7	73.9	154.6	-107.9	162	-175	177.7	0	113.9
442	L	38.4	Very low	48.7	Very low	171 Å²	171	133.1 Å²	133.1	90%	0.895	70%	0.697	S	S	*	*			trans	-110.2	56.8	159.4	-163.1	67.2	0	0	0	110.9
443	K	36	Very low	45.9	Very low	200 Å²	200	136.8 Å²	136.8	87%	0.87	71%	0.714	S	S	*	*	S	Bend	trans	-138.1	44.3	173.4	-84.7	-164.7	172.3	-175.6	0	112.1
444	K	37.4	Very low	43.2	Very low	202 Å²	202	139 Å²	139	88%	0.878	74%	0.74	S	S	*	*	S	Bend	trans	-175.9	83.1	155.1	-110.2	-179.3	178.6	-174.5	0	111.8
445	L	33.1	Very low	40.8	Very low	180 Å²	180	146.2 Å²	146.2	94%	0.942	76%	0.762	S	S	*	*	S	Bend	trans	-148.1	49	150	-155.1	77	0	0	0	109.7
446	G	28.7	Very low	38.1	Very low	73 Å²	73	150.5 Å²	150.5	75%	0.753	80%	0.798	S	S	*	*	S	Bend	trans	-151.4	49.6	-173.9	0	0	0	0	0	110.5
447	N	31.7	Very low	35.4	Very low	158 Å²	158	151.5 Å²	151.5	85%	0.845	81%	0.809	S	S	*	*			trans	-164.2	86	161.5	-133.1	-7.1	0	0	0	110
448	L	35.8	Very low	32.9	Very low	175 Å²	175	152 Å²	152	92%	0.916	82%	0.819	S	S	*	*			trans	-163.2	57.5	165	-116.5	179.7	0	0	0	110.9
449	K	26	Very low	31.5	Very low	200 Å²	200	155.7 Å²	155.7	87%	0.87	83%	0.832	S	S	*	*			trans	-170.6	104.1	153.5	-109.5	179.4	-179.2	-164.7	0	109.4
450	L	28.9	Very low	30.7	Very low	174 Å²	174	157.4 Å²	157.4	91%	0.911	83%	0.831	S	S	*	*			trans	-111.4	164.4	151.9	-169.7	71.1	0	0	0	105.5
451	Q	25.4	Very low	29.8	Very low	158 Å²	158	151.6 Å²	151.6	74%	0.738	83%	0.827	S	S	*	*			trans	74.4	128.1	-175.6	-149	159.2	10.9	0	0	111.6
452	E	25.9	Very low	29.8	Very low	161 Å²	161	147.1 Å²	147.1	75%	0.752	82%	0.818	S	S	*	*			cis	-139.3	168.4	15.3	-151.2	138.2	-129.2	0	0	111.9
453	E	27.3	Very low	29.3	Very low	199 Å²	199	146 Å²	146	93%	0.93	82%	0.819	S	S	*	*			trans	-93.5	176.4	175	-59.5	-167.6	112.6	0	0	111.7
454	G	25.8	Very low	28.9	Very low	70 Å²	70	145.2 Å²	145.2	72%	0.722	82%	0.818	S	S	*	*			trans	132.2	94.1	158.4	0	0	0	0	0	117.8
455	E	28.3	Very low	28.4	Very low	190 Å²	190	145 Å²	145	89%	0.888	82%	0.82	S	S	*	*			trans	28	128.4	139.1	-59.9	-170.9	100.4	0	0	124.1
456	A	28.1	Very low	28.3	Very low	92 Å²	92	142.1 Å²	142.1	76%	0.76	81%	0.81	S	S	*	*				68.5	125.6	123.8	0	0	0	0	0	124.6
457	S	28	Very low	28.3	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	82%	0.815	S	S	*	*			trans	90.6	120.5	132.8	-150.2	0	0	0	0	123
458	S	26.3	Very low	28.2	Very low	87 Å²	87	145.6 Å²	145.6	61%	0.608	81%	0.811	S	S	*	*			trans	63	112.7	134.3	63.1	0	0	0	0	123.7
459	T	25.7	Very low	27.8	Very low	125 Å²	125	146.7 Å²	146.7	77%	0.767	81%	0.809	S	S	*	*				81.5	151.6	127.9	54.6	0	0	0	0	122.8
460	T	25.9	Very low	27.9	Very low	147 Å²	147	144.4 Å²	144.4	90%	0.902	81%	0.806	S	S	*	*			trans	71.4	160	168.5	56.2	0	0	0	0	120.1
461	S	25.5	Very low	27.7	Very low	113 Å²	113	142 Å²	142	79%	0.79	80%	0.798	S	S	*	*			trans	-154.4	-172.3	-168	66	0	0	0	0	107.6
462	P	38.4	Very low	27.9	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	80%	0.803	S	S	*	*			cis	-123.5	169.9	-20.8	38.8	-26.3	0	0	0	112.6
463	T	28.3	Very low	27.9	Very low	147 Å²	147	138 Å²	138	90%	0.902	80%	0.799	S	S	*	*			trans	-153.1	146.3	146.9	-25.8	0	0	0	0	110
464	E	26.9	Very low	28.2	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	79%	0.787	S	S	*	*			trans	-93.2	146.4	-179.2	-54.8	-178.2	135.8	0	0	110.9
465	E	26.6	Very low	28.5	Very low	197 Å²	197	138.9 Å²	138.9	92%	0.921	79%	0.787	S	S	*	*			trans	-154.3	153.7	131.7	-128	-177.2	-151.4	0	0	111.8
466	T	30.9	Very low	28.6	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	78%	0.779	S	S	*	*			trans	-95.7	116.5	-162.7	-66.8	0	0	0	0	112.8	Q468	T466-Q468 HydrophobicContact CG2-CG 4.23Å
467	T	28.1	Very low	28.8	Very low	138 Å²	138	136.3 Å²	136.3	85%	0.847	78%	0.779	S	S	*	*			trans	-117.5	115.2	160.9	-57.3	0	0	0	0	109.9	K469	T467-K469 PolarHBondContact O-N 3.25Å
468	Q	31	Very low	29.2	Very low	165 Å²	165	141.6 Å²	141.6	77%	0.771	78%	0.784	S	S	*	*			trans	-69.6	105	-171.5	-68.3	178.3	-8.8	0	0	112.3	T466 L470	T466-Q468 HydrophobicContact CG2-CG 4.23Å; Q468-L470 VanDerWaalsContact C-N 3.27Å; Q468-L470 PolarHBondContact O-N 3.1Å
469	K	26.4	Very low	29.9	Very low	199 Å²	199	144.6 Å²	144.6	87%	0.865	79%	0.789	S	S	*	*			trans	-79.1	75.5	175.2	-161.6	175.8	-170.2	176.2	0	110.2	T467 T471	T467-K469 PolarHBondContact O-N 3.25Å; K469-T471 PolarHBondContact O-N 3.32Å
470	L	27.3	Very low	30.6	Very low	152 Å²	152	143.6 Å²	143.6	80%	0.796	79%	0.786	S	S	*	*			trans	-59	109.1	-178.2	-121.2	165.6	0	0	0	110.5	Q468 V472	Q468-L470 VanDerWaalsContact C-N 3.27Å; Q468-L470 PolarHBondContact O-N 3.1Å; L470-V472 PolarHBondContact O-N 3.12Å
471	T	26.1	Very low	31.6	Very low	124 Å²	124	139.8 Å²	139.8	76%	0.761	76%	0.758	S	S	*	*			trans	-69.5	113.4	180	32.5	0	0	0	0	110.1	K469 S473	K469-T471 PolarHBondContact O-N 3.32Å; T471-S473 PolarHBondContact O-N 3.11Å; T471-S473 VanDerWaalsContact O-N 3.14Å
472	V	29.1	Very low	33.3	Very low	139 Å²	139	135.2 Å²	135.2	84%	0.842	73%	0.726	S	S	*	*			trans	-62.8	116.2	165	177.5	0	0	0	0	107.4	L470	L470-V472 PolarHBondContact O-N 3.12Å
473	S	25.8	Very low	34.7	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	71%	0.709	S	S	*	*			trans	-62.6	144.5	179.4	40.7	0	0	0	0	111.1	T471 I475	T471-S473 PolarHBondContact O-N 3.11Å; T471-S473 VanDerWaalsContact O-N 3.14Å; S473-I475 PolarHBondContact O-N 3.42Å
474	H	32.9	Very low	37	Very low	146 Å²	146	128.5 Å²	128.5	68%	0.676	68%	0.675	S	S	*	*			trans	-71.7	97.8	-173.5	-167.5	-75.8	0	0	0	110.1	E476	H474-E476 IonicContact CE1-OE1 2.88Å; H474-E476 VanDerWaalsContact ND1-CG 3.26Å; H474-E476 WeakPolarHBondContact ND1-CG 3.16Å; H474-E476 PolarHBondContact O-N 3.27Å
475	I	32.8	Very low	39.5	Very low	140 Å²	140	120.1 Å²	120.1	72%	0.718	64%	0.636	S	S	*	*			trans	-76	94.7	172.1	-58.3	-179.5	0	0	0	108.4	S473	S473-I475 PolarHBondContact O-N 3.42Å
476	E	31.5	Very low	42.2	Very low	155 Å²	155	114.8 Å²	114.8	72%	0.724	61%	0.614	S	S	*	*			trans	-68.5	151.6	159.8	-58.3	-172.8	125.4	0	0	109.5	H474	H474-E476 IonicContact CE1-OE1 2.88Å; H474-E476 VanDerWaalsContact ND1-CG 3.26Å; H474-E476 WeakPolarHBondContact ND1-CG 3.16Å; H474-E476 PolarHBondContact O-N 3.27Å
477	G	31.5	Very low	44.8	Very low	73 Å²	73	111.6 Å²	111.6	75%	0.753	59%	0.594	S	S	*	*			trans	121.7	1.4	169.7	0	0	0	0	0	118
478	Y	36.6	Very low	47.5	Very low	216 Å²	216	105.1 Å²	105.1	85%	0.847	55%	0.554	S	S	*	*			trans	-114.5	94.6	165.6	-72	-80.1	0	0	0	110.4	C480	Y478-C480 PolarHBondContact O-N 2.91Å
479	E	39.8	Very low	50.1	Low	151 Å²	151	103.2 Å²	103.2	71%	0.706	55%	0.546	S	S	*	.			trans	-60.4	121.7	164.2	-79.8	-156.4	131	0	0	109.3	Q481	E479-Q481 HydrophobicContact CB-CG 4.24Å; E479-Q481 PolarHBondContact O-N 3.44Å; E479-Q481 PolarHBondContact OE2-NE2 3.49Å
480	C	40.8	Very low	52.8	Low	104 Å²	104	97.9 Å²	97.9	70%	0.703	54%	0.539	S	S	*	.			trans	-76.8	70.4	166.8	-168.1	0	0	0	0	109	Y478 P482	Y478-C480 PolarHBondContact O-N 2.91Å; C480-P482 WeakPolarHBondContact O-CD 3.43Å; C480-P482 VanDerWaalsContact O-N 3.14Å
481	Q	46.4	Very low	55.6	Low	67 Å²	67	92.3 Å²	92.3	31%	0.313	51%	0.509	S	S	.	.			trans	-60.2	109.6	166	-72.2	-67	-13	0	0	107.4	E479 I483	E479-Q481 HydrophobicContact CB-CG 4.24Å; E479-Q481 PolarHBondContact O-N 3.44Å; E479-Q481 PolarHBondContact OE2-NE2 3.49Å; Q481-I483 PolarHBondContact O-N 3.24Å
482	P	61.8	Low	58.6	Low	17 Å²	17	89.4 Å²	89.4	11%	0.11	49%	0.487	C	S	.	.			trans	-65.4	138.7	-175.5	-19.9	34.2	0	0	0	109.4	C480 F484 L485 N486 E655	C480-P482 WeakPolarHBondContact O-CD 3.43Å; C480-P482 VanDerWaalsContact O-N 3.14Å; P482-F484 PolarHBondContact O-N 2.96Å; P482-L485 HydrophobicContact CG-CD1 4.45Å; P482-L485 HydrophobicContact CG-CG 4.41Å; P482-L485 WeakPolarHBondContact O-CB 3.21Å; P482-L485 PolarHBondContact O-N 2.98Å; P482-N486 PolarHBondContact O-N 3.33Å; P482-N486 PolarHBondContact O-OD1 3.16Å; P482-E655 VanDerWaalsContact CB-OE1 3.28Å; P482-E655 WeakPolarHBondContact CB-OE1 3.2Å
483	I	67.8	Low	61.3	Low	73 Å²	73	84.7 Å²	84.7	37%	0.374	46%	0.459	S	S	.	.	H	α-helix	trans	-53	-26.1	178.9	-62.3	174.4	0	0	0	111.7	G383 Q481 V487	G383-I483 VanDerWaalsContact O-CD1 3.25Å; G383-I483 WeakPolarHBondContact O-CD1 2.95Å; Q481-I483 PolarHBondContact O-N 3.24Å; I483-V487 WeakPolarHBondContact O-CG2 3.48Å; I483-V487 PolarHBondContact O-N 3.26Å
484	F	76.8	Confident	63.7	Low	43 Å²	43	82.7 Å²	82.7	19%	0.189	45%	0.454	C	S	.	.	H	α-helix	trans	-62.5	-45.4	172.2	-157.3	-91	0	0	0	113.4	P482 V487 L488 P534 Y652 E655	P482-F484 PolarHBondContact O-N 2.96Å; F484-V487 PolarHBondContact O-N 3.42Å; F484-L488 HydrophobicContact CD1-CD1 3.91Å; F484-L488 HydrophobicContact CD1-CG 4.04Å; F484-L488 HydrophobicContact CE1-CD1 3.9Å; F484-L488 HydrophobicContact CE1-CD2 4.32Å; F484-L488 HydrophobicContact CE1-CG 4.19Å; F484-L488 WeakPolarHBondContact O-CG 3.37Å; F484-L488 PolarHBondContact O-N 3.46Å; F484-P534 HydrophobicContact CD2-CB 4.46Å; F484-P534 HydrophobicContact CD2-CG 4.31Å; F484-P534 HydrophobicContact CE2-CB 3.86Å; F484-P534 HydrophobicContact CE2-CG 4.03Å; F484-P534 HydrophobicContact CZ-CB 4.44Å; F484-P534 HydrophobicContact CZ-CG 4.46Å; F484-Y652 AromaticContact CE1-CD1 3.66Å; F484-Y652 HydrophobicContact CE1-CD1 3.66Å; F484-Y652 AromaticContact CE1-CE1 3.48Å; F484-Y652 HydrophobicContact CE1-CE1 3.48Å; F484-Y652 VanDerWaalsContact CE1-CE1 3.48Å; F484-Y652 AromaticContact CZ-CD1 3.61Å; F484-Y652 HydrophobicContact CZ-CD1 3.61Å; F484-Y652 HydrophobicContact CZ-CD2 4.44Å; F484-Y652 AromaticContact CZ-CE1 3.28Å; F484-Y652 HydrophobicContact CZ-CE1 3.28Å; F484-Y652 HydrophobicContact CZ-CE2 4.15Å; F484-Y652 HydrophobicContact CZ-CG 4.17Å; F484-Y652 AromaticContact CZ-CZ 3.56Å; F484-E655 HydrophobicContact CB-CG 4.26Å; F484-E655 HydrophobicContact CD1-CB 4.36Å; F484-E655 HydrophobicContact CD1-CG 3.63Å; F484-E655 HydrophobicContact CE1-CB 4.28Å; F484-E655 HydrophobicContact CE1-CG 4.05Å; F484-E655 HydrophobicContact CG-CG 4.04Å
485	L	80.3	Confident	65.9	Low	7 Å²	7	80.7 Å²	80.7	4%	0.037	45%	0.452	C	S	.	.	H	α-helix	trans	-63.5	-45.9	177.3	-74.2	-170.4	0	0	0	111.6	P482 V487 L488 E489 Q613 I659	P482-L485 HydrophobicContact CG-CD1 4.45Å; P482-L485 HydrophobicContact CG-CG 4.41Å; P482-L485 WeakPolarHBondContact O-CB 3.21Å; P482-L485 PolarHBondContact O-N 2.98Å; L485-V487 PolarHBondContact O-N 2.8Å; L485-V487 VanDerWaalsContact O-N 3.16Å; L485-L488 HydrophobicContact CD2-CD1 4.47Å; L485-L488 PolarHBondContact O-N 3.28Å; L485-E489 WeakPolarHBondContact O-CB 3.39Å; L485-E489 PolarHBondContact O-N 3.03Å; L485-Q613 HydrophobicContact CD1-CB 3.59Å; L485-Q613 HydrophobicContact CD1-CG 3.48Å; L485-Q613 VanDerWaalsContact CD1-CG 3.48Å; L485-Q613 HydrophobicContact CD2-CB 4.22Å; L485-I659 HydrophobicContact CD1-CG1 4.27Å; L485-I659 HydrophobicContact CD2-CD1 3.67Å; L485-I659 HydrophobicContact CD2-CG1 4.22Å; L485-I659 HydrophobicContact CG-CD1 4.38Å; L485-I659 HydrophobicContact CG-CG1 4.43Å
486	N	82.4	Confident	68.5	Low	84 Å²	84	75.1 Å²	75.1	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-59.9	-28.3	178.1	-59	32.7	0	0	0	111.7	P482 A490	P482-N486 PolarHBondContact O-N 3.33Å; P482-N486 PolarHBondContact O-OD1 3.16Å; N486-A490 WeakPolarHBondContact O-CB 3.38Å; N486-A490 PolarHBondContact O-N 3.23Å
487	V	84.9	Confident	71.1	Confident	54 Å²	54	71 Å²	71	33%	0.327	41%	0.412	S	S	.	.	H	α-helix	trans	-74.6	-48.5	170	172.3	0	0	0	0	111.1	I483 F484 L485 E489 A490 I491 P534	I483-V487 WeakPolarHBondContact O-CG2 3.48Å; I483-V487 PolarHBondContact O-N 3.26Å; F484-V487 PolarHBondContact O-N 3.42Å; L485-V487 PolarHBondContact O-N 2.8Å; L485-V487 VanDerWaalsContact O-N 3.16Å; V487-E489 VanDerWaalsContact C-N 3.28Å; V487-E489 PolarHBondContact O-N 2.9Å; V487-A490 PolarHBondContact O-N 3Å; V487-I491 HydrophobicContact CG1-CG2 4.38Å; V487-I491 WeakPolarHBondContact O-CG1 3.45Å; V487-I491 WeakPolarHBondContact O-CG2 3.27Å; V487-I491 PolarHBondContact O-N 3.45Å; V487-I491 VanDerWaalsContact O-N 3.1Å; V487-P534 HydrophobicContact CG1-CG 3.92Å
488	L	85.2	Confident	73.5	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-59	-37.7	179.2	-65.7	-173.5	0	0	0	113.1	F484 L485 I491 E492 L533 L616 A620 Y652	F484-L488 HydrophobicContact CD1-CD1 3.91Å; F484-L488 HydrophobicContact CD1-CG 4.04Å; F484-L488 HydrophobicContact CE1-CD1 3.9Å; F484-L488 HydrophobicContact CE1-CD2 4.32Å; F484-L488 HydrophobicContact CE1-CG 4.19Å; F484-L488 WeakPolarHBondContact O-CG 3.37Å; F484-L488 PolarHBondContact O-N 3.46Å; L485-L488 HydrophobicContact CD2-CD1 4.47Å; L485-L488 PolarHBondContact O-N 3.28Å; L488-I491 HydrophobicContact CD2-CD1 4.28Å; L488-I491 WeakPolarHBondContact O-CG1 3.47Å; L488-E492 PolarHBondContact O-N 3.07Å; L488-L533 HydrophobicContact CD2-CD2 3.46Å; L488-L533 VanDerWaalsContact CD2-CD2 3.46Å; L488-L616 HydrophobicContact CB-CB 4.07Å; L488-L616 HydrophobicContact CB-CD1 4.35Å; L488-L616 HydrophobicContact CD1-CB 4.16Å; L488-A620 HydrophobicContact CD2-CB 4.49Å; L488-Y652 HydrophobicContact CD2-CE1 4.32Å
489	E	86	Confident	75.6	Confident	126 Å²	126	60.1 Å²	60.1	59%	0.589	37%	0.365	S	S	*	.	H	α-helix	trans	-69.5	-46.8	175.7	-175.7	171.3	-141.7	0	0	111.2	L485 V487 I491 E492 L616	L485-E489 WeakPolarHBondContact O-CB 3.39Å; L485-E489 PolarHBondContact O-N 3.03Å; V487-E489 VanDerWaalsContact C-N 3.28Å; V487-E489 PolarHBondContact O-N 2.9Å; E489-I491 PolarHBondContact O-N 3.49Å; E489-E492 WeakPolarHBondContact O-CB 3.35Å; E489-E492 PolarHBondContact O-N 3.07Å; E489-L616 HydrophobicContact CB-CD1 3.94Å
490	A	82.6	Confident	77.5	Confident	87 Å²	87	53.8 Å²	53.8	72%	0.719	34%	0.336	S	S	*	.	H	α-helix	trans	-70.6	-10.3	-179.2	0	0	0	0	0	115.1	N486 V487	N486-A490 WeakPolarHBondContact O-CB 3.38Å; N486-A490 PolarHBondContact O-N 3.23Å; V487-A490 PolarHBondContact O-N 3Å
491	I	87.4	Confident	79.4	Confident	35 Å²	35	52.3 Å²	52.3	18%	0.179	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-6.7	173.4	68.9	175	0	0	0	113.2	V487 L488 E489 A532 L533	V487-I491 HydrophobicContact CG1-CG2 4.38Å; V487-I491 WeakPolarHBondContact O-CG1 3.45Å; V487-I491 WeakPolarHBondContact O-CG2 3.27Å; V487-I491 PolarHBondContact O-N 3.45Å; V487-I491 VanDerWaalsContact O-N 3.1Å; L488-I491 HydrophobicContact CD2-CD1 4.28Å; L488-I491 WeakPolarHBondContact O-CG1 3.47Å; E489-I491 PolarHBondContact O-N 3.49Å; I491-A532 HydrophobicContact CB-CB 3.97Å; I491-A532 HydrophobicContact CD1-CB 4.31Å; I491-A532 HydrophobicContact CG2-CB 3.6Å; I491-L533 HydrophobicContact CD1-CD2 3.69Å; I491-L533 HydrophobicContact CD1-CG 4.03Å
492	E	88.5	Confident	80.9	Confident	63 Å²	63	52.8 Å²	52.8	29%	0.294	33%	0.326	S	S	.	.	S	Bend	trans	-61.9	123.9	-175	-174.3	61.6	-165.6	0	0	109.8	L488 E489 G494 L616 K619	L488-E492 PolarHBondContact O-N 3.07Å; E489-E492 WeakPolarHBondContact O-CB 3.35Å; E489-E492 PolarHBondContact O-N 3.07Å; E492-G494 PolarHBondContact O-N 2.84Å; E492-L616 HydrophobicContact CB-CD2 4.23Å; E492-L616 HydrophobicContact CG-CD2 4.19Å; E492-K619 IonicContact OE1-NZ 2.73Å; E492-K619 PolarHBondContact OE1-NZ 2.84Å; E492-K619 IonicContact OE2-NZ 3.78Å; E492-K619 PolarHBondContact OE2-NZ 3.21Å
493	P	84.6	Confident	81.6	Confident	40 Å²	40	59 Å²	59	26%	0.26	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-65.3	132.4	-172.5	24.2	-34.1	0	0	0	111.3	H525	P493-H525 HydrophobicContact CB-CB 3.93Å
494	G	77	Confident	82.1	Confident	54 Å²	54	61.3 Å²	61.3	56%	0.557	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-56.1	156.7	172.2	0	0	0	0	0	112.7	E492 V496	E492-G494 PolarHBondContact O-N 2.84Å; G494-V496 PolarHBondContact O-N 2.97Å
495	V	80.1	Confident	82.3	Confident	103 Å²	103	64.3 Å²	64.3	62%	0.624	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-62	130.6	-174.8	-175.4	0	0	0	0	111	P577	V495-P577 HydrophobicContact CG1-CG 3.49Å; V495-P577 VanDerWaalsContact CG1-CG 3.49Å
496	V	86.3	Confident	82.7	Confident	23 Å²	23	65 Å²	65	14%	0.139	40%	0.395	C	S	.	.			trans	-107.1	130.3	179.8	-180	0	0	0	0	109.2	G494 L518 R521 Q522 A576	G494-V496 PolarHBondContact O-N 2.97Å; V496-L518 HydrophobicContact CB-CD1 4.43Å; V496-L518 HydrophobicContact CG1-CD1 4.04Å; V496-R521 HydrophobicContact CG1-CB 3.62Å; V496-Q522 HydrophobicContact CB-CG 4.26Å; V496-Q522 HydrophobicContact CG1-CG 4.48Å; V496-A576 WeakPolarHBondContact O-CB 3.38Å
497	C	85.4	Confident	83.1	Confident	69 Å²	69	63.2 Å²	63.2	47%	0.466	39%	0.388	S	S	.	.			trans	-85.5	154.1	174.6	-60	0	0	0	0	112	D578	C497-D578 WeakPolarHBondContact CA-OD1 3.46Å
498	A	83.1	Confident	83.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	38%	0.381	C	S	.	.			trans	-83.8	-17.4	178.8	0	0	0	0	0	114.1	H500 L518 R521 A576 D578 L579	A498-H500 VanDerWaalsContact C-N 3.28Å; A498-H500 HydrophobicContact CB-CB 4.16Å; A498-L518 HydrophobicContact CB-CB 4.08Å; A498-L518 HydrophobicContact CB-CD1 4.26Å; A498-L518 HydrophobicContact CB-CD2 4.25Å; A498-L518 HydrophobicContact CB-CG 4.43Å; A498-R521 VanDerWaalsContact C-NH1 3.26Å; A498-R521 PolarHBondContact O-NH1 3.43Å; A498-A576 HydrophobicContact CB-CB 4.22Å; A498-D578 WeakPolarHBondContact CA-OD2 3.11Å; A498-D578 VanDerWaalsContact N-CG 3.3Å; A498-D578 PolarHBondContact N-OD1 2.61Å; A498-D578 PolarHBondContact N-OD2 3.25Å; A498-L579 HydrophobicContact CB-CB 3.66Å; A498-L579 HydrophobicContact CB-CD2 3.68Å; A498-L579 HydrophobicContact CB-CG 4.27Å
499	G	79.8	Confident	83.8	Confident	61 Å²	61	63.5 Å²	63.5	63%	0.629	39%	0.39	S	S	*	.			trans	74.4	19.5	-169.2	0	0	0	0	0	112.9	D501 D578	G499-D501 PolarHBondContact O-N 3.23Å; G499-D578 PolarHBondContact N-OD2 3.3Å
500	H	81.2	Confident	84	Confident	17 Å²	17	59.3 Å²	59.3	8%	0.079	38%	0.377	C	S	.	.			trans	-81.3	113.3	-168.2	-173	69.1	0	0	0	112.2	A498 N502 D506 S514 D578 L579	A498-H500 VanDerWaalsContact C-N 3.28Å; A498-H500 HydrophobicContact CB-CB 4.16Å; H500-N502 PolarHBondContact O-N 3.23Å; H500-N502 PolarHBondContact O-ND2 2.88Å; H500-D506 IonicContact NE2-OD1 2.76Å; H500-S514 PolarHBondContact ND1-OG 3.41Å; H500-D578 PolarHBondContact N-OD2 3.36Å; H500-L579 HydrophobicContact CB-CB 4.48Å; H500-L579 HydrophobicContact CB-CD1 4.05Å
501	D	79.3	Confident	84.5	Confident	73 Å²	73	55.2 Å²	55.2	39%	0.39	34%	0.343	S	S	.	.			trans	-73.8	93.7	176.9	-174.1	10.9	0	0	0	111.5	G499 N503 Q504	G499-D501 PolarHBondContact O-N 3.23Å; D501-N503 PolarHBondContact O-N 3.08Å; D501-N503 VanDerWaalsContact O-N 3.14Å; D501-N503 VanDerWaalsContact OD1-CB 3.25Å; D501-N503 WeakPolarHBondContact OD1-CB 3.23Å; D501-N503 PolarHBondContact OD1-N 3.26Å; D501-N503 PolarHBondContact OD1-ND2 3.29Å; D501-Q504 HydrophobicContact CB-CG 4.19Å; D501-Q504 PolarHBondContact O-N 3.38Å; D501-Q504 VanDerWaalsContact O-N 3.12Å; D501-Q504 WeakPolarHBondContact OD2-CG 3.17Å; D501-Q504 PolarHBondContact OD2-NE2 3.48Å
502	N	78.7	Confident	84.8	Confident	78 Å²	78	53.6 Å²	53.6	42%	0.417	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-1.3	177.3	-71.9	-99.8	0	0	0	113.3	H500 D578 R585	H500-N502 PolarHBondContact O-N 3.23Å; H500-N502 PolarHBondContact O-ND2 2.88Å; N502-D578 PolarHBondContact ND2-O 3.37Å; N502-R585 PolarHBondContact OD1-NH1 3.16Å; N502-R585 VanDerWaalsContact OD1-NH1 3.11Å; N502-R585 PolarHBondContact OD1-NH2 3.22Å
503	N	76.6	Confident	85.1	Confident	147 Å²	147	51 Å²	51	79%	0.786	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-19	170.4	-52.8	-80.2	0	0	0	112.2	D501	D501-N503 PolarHBondContact O-N 3.08Å; D501-N503 VanDerWaalsContact O-N 3.14Å; D501-N503 VanDerWaalsContact OD1-CB 3.25Å; D501-N503 WeakPolarHBondContact OD1-CB 3.23Å; D501-N503 PolarHBondContact OD1-N 3.26Å; D501-N503 PolarHBondContact OD1-ND2 3.29Å
504	Q	77.6	Confident	85.5	Confident	122 Å²	122	49.7 Å²	49.7	57%	0.57	32%	0.315	S	S	*	.	S	Bend	trans	-80.4	151.2	172.5	-61.3	-56.9	-30.4	0	0	111.1	D501 D506	D501-Q504 HydrophobicContact CB-CG 4.19Å; D501-Q504 PolarHBondContact O-N 3.38Å; D501-Q504 VanDerWaalsContact O-N 3.12Å; D501-Q504 WeakPolarHBondContact OD2-CG 3.17Å; D501-Q504 PolarHBondContact OD2-NE2 3.48Å; Q504-D506 PolarHBondContact O-N 3Å
505	P	82.5	Confident	86.3	Confident	105 Å²	105	48.2 Å²	48.2	68%	0.682	30%	0.295	S	S	*	.			trans	-65.7	119.4	169.6	27.8	-33.3	0	0	0	110	S507	P505-S507 PolarHBondContact O-N 3.05Å
506	D	87.8	Confident	87	Confident	22 Å²	22	43.7 Å²	43.7	12%	0.118	27%	0.267	C	S	.	.			trans	-40	135.4	172	-70.9	-14.3	0	0	0	110.8	H500 Q504 L511 R585 K588	H500-D506 IonicContact NE2-OD1 2.76Å; Q504-D506 PolarHBondContact O-N 3Å; D506-L511 HydrophobicContact CB-CD1 4.17Å; D506-L511 HydrophobicContact CB-CD2 4.47Å; D506-L511 HydrophobicContact CB-CG 4.34Å; D506-R585 VanDerWaalsContact CG-NE 3.32Å; D506-R585 IonicContact OD1-CZ 3.9Å; D506-R585 VanDerWaalsContact OD1-CZ 3.31Å; D506-R585 IonicContact OD1-NE 3.84Å; D506-R585 PolarHBondContact OD1-NE 3.32Å; D506-R585 VanDerWaalsContact OD1-NE 3.09Å; D506-R585 IonicContact OD1-NH2 2.61Å; D506-R585 PolarHBondContact OD1-NH2 3Å; D506-R585 WeakPolarHBondContact OD2-CG 3.27Å; D506-R585 IonicContact OD2-CZ 2.72Å; D506-R585 IonicContact OD2-NE 3.54Å; D506-R585 PolarHBondContact OD2-NE 2.99Å; D506-R585 IonicContact OD2-NH2 2.97Å; D506-K588 HydrophobicContact CB-CD 3.79Å; D506-K588 WeakPolarHBondContact O-CE 3.48Å; D506-K588 PolarHBondContact O-NZ 3.15Å
507	S	91.3	Very high	87.3	Confident	46 Å²	46	45.7 Å²	45.7	32%	0.322	28%	0.275	S	S	.	.			trans	-133.7	160.3	170.6	80.1	0	0	0	0	110.7	P505 A509 A510 L511	P505-S507 PolarHBondContact O-N 3.05Å; S507-A509 PolarHBondContact O-N 2.99Å; S507-A510 PolarHBondContact O-N 3.01Å; S507-A510 VanDerWaalsContact OG-CB 3.31Å; S507-A510 WeakPolarHBondContact OG-CB 3.39Å; S507-A510 PolarHBondContact OG-N 3.22Å; S507-L511 VanDerWaalsContact O-CB 3.3Å; S507-L511 WeakPolarHBondContact O-CB 3.25Å; S507-L511 VanDerWaalsContact O-CG 3.27Å; S507-L511 WeakPolarHBondContact O-CG 3.49Å; S507-L511 PolarHBondContact O-N 3.38Å
508	F	92.7	Very high	87.7	Confident	38 Å²	38	42.6 Å²	42.6	17%	0.167	25%	0.253	C	S	.	.	H	α-helix	trans	-54.2	-45.6	174.5	168.9	-95.6	0	0	0	110.9	L512 S589 R590 L698 V705 V707	F508-L512 HydrophobicContact CD1-CD1 4.49Å; F508-L512 HydrophobicContact CD2-CD1 3.95Å; F508-L512 HydrophobicContact CE1-CD1 3.94Å; F508-L512 HydrophobicContact CE2-CD1 3.33Å; F508-L512 HydrophobicContact CE2-CG 4.46Å; F508-L512 HydrophobicContact CG-CD1 4.5Å; F508-L512 HydrophobicContact CZ-CD1 3.34Å; F508-L512 VanDerWaalsContact O-CG 3.3Å; F508-L512 WeakPolarHBondContact O-CG 3.28Å; F508-L512 PolarHBondContact O-N 2.91Å; F508-S589 WeakPolarHBondContact CD2-O 3.3Å; F508-S589 VanDerWaalsContact CE2-O 3.28Å; F508-S589 WeakPolarHBondContact CE2-O 3.35Å; F508-R590 HydrophobicContact CD2-CB 4.12Å; F508-R590 HydrophobicContact CD2-CG 3.67Å; F508-R590 HydrophobicContact CE2-CB 3.83Å; F508-R590 HydrophobicContact CE2-CG 3.79Å; F508-L698 HydrophobicContact CZ-CD1 4.08Å; F508-V705 HydrophobicContact CE1-CB 3.91Å; F508-V705 HydrophobicContact CE1-CG1 4.48Å; F508-V705 HydrophobicContact CE1-CG2 4.03Å; F508-V707 HydrophobicContact CE1-CG2 4.08Å
509	A	91.3	Very high	88.2	Confident	24 Å²	24	42.8 Å²	42.8	20%	0.198	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-60.3	177.1	0	0	0	0	0	111.7	S507 L511 L512 S513 S706 V707	S507-A509 PolarHBondContact O-N 2.99Å; A509-L511 PolarHBondContact O-N 2.99Å; A509-L512 PolarHBondContact O-N 3.29Å; A509-S513 PolarHBondContact O-N 2.96Å; A509-S513 PolarHBondContact O-OG 3Å; A509-S706 VanDerWaalsContact CB-O 3.3Å; A509-S706 WeakPolarHBondContact CB-O 3.39Å; A509-V707 HydrophobicContact CB-CG2 4.45Å
510	A	91.2	Very high	88.9	Confident	39 Å²	39	42.3 Å²	42.3	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-39.8	-173.9	0	0	0	0	0	113.2	S507 L512 S514	S507-A510 PolarHBondContact O-N 3.01Å; S507-A510 VanDerWaalsContact OG-CB 3.31Å; S507-A510 WeakPolarHBondContact OG-CB 3.39Å; S507-A510 PolarHBondContact OG-N 3.22Å; A510-L512 VanDerWaalsContact C-N 3.27Å; A510-L512 PolarHBondContact O-N 3.23Å; A510-S514 WeakPolarHBondContact O-CB 3.49Å; A510-S514 PolarHBondContact O-N 2.8Å; A510-S514 PolarHBondContact O-OG 3.37Å; A510-S514 VanDerWaalsContact O-OG 3.05Å
511	L	92.8	Very high	89.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-32.8	176.6	-72.2	173.3	0	0	0	112.4	D506 S507 A509 L515 L579 F581 R585 K588	D506-L511 HydrophobicContact CB-CD1 4.17Å; D506-L511 HydrophobicContact CB-CD2 4.47Å; D506-L511 HydrophobicContact CB-CG 4.34Å; S507-L511 VanDerWaalsContact O-CB 3.3Å; S507-L511 WeakPolarHBondContact O-CB 3.25Å; S507-L511 VanDerWaalsContact O-CG 3.27Å; S507-L511 WeakPolarHBondContact O-CG 3.49Å; S507-L511 PolarHBondContact O-N 3.38Å; A509-L511 PolarHBondContact O-N 2.99Å; L511-L515 WeakPolarHBondContact O-CG 3.41Å; L511-L515 PolarHBondContact O-N 3.18Å; L511-L579 HydrophobicContact CD2-CD1 4.38Å; L511-F581 HydrophobicContact CB-CZ 4.16Å; L511-F581 HydrophobicContact CD2-CE1 3.91Å; L511-F581 HydrophobicContact CD2-CZ 4.25Å; L511-R585 HydrophobicContact CD1-CB 4.38Å; L511-R585 HydrophobicContact CD1-CG 4.25Å; L511-R585 HydrophobicContact CD2-CG 4.2Å; L511-K588 HydrophobicContact CD1-CB 4.14Å; L511-K588 HydrophobicContact CD1-CG 4.45Å
512	L	94	Very high	90.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-86.1	-39.1	-179.8	-65	-177.6	0	0	0	112.5	F508 A509 A510 S514 L515 N516 M591 F694 L698 V707	F508-L512 HydrophobicContact CD1-CD1 4.49Å; F508-L512 HydrophobicContact CD2-CD1 3.95Å; F508-L512 HydrophobicContact CE1-CD1 3.94Å; F508-L512 HydrophobicContact CE2-CD1 3.33Å; F508-L512 HydrophobicContact CE2-CG 4.46Å; F508-L512 HydrophobicContact CG-CD1 4.5Å; F508-L512 HydrophobicContact CZ-CD1 3.34Å; F508-L512 VanDerWaalsContact O-CG 3.3Å; F508-L512 WeakPolarHBondContact O-CG 3.28Å; F508-L512 PolarHBondContact O-N 2.91Å; A509-L512 PolarHBondContact O-N 3.29Å; A510-L512 VanDerWaalsContact C-N 3.27Å; A510-L512 PolarHBondContact O-N 3.23Å; L512-S514 VanDerWaalsContact C-N 3.35Å; L512-S514 PolarHBondContact O-N 3.28Å; L512-L515 HydrophobicContact CD2-CD1 4.14Å; L512-L515 PolarHBondContact O-N 3.23Å; L512-L515 VanDerWaalsContact O-N 3.16Å; L512-N516 PolarHBondContact O-N 2.9Å; L512-M591 HydrophobicContact CD2-CG 4.04Å; L512-M591 HydrophobicContact CD2-SD 3.47Å; L512-M591 WeakPolarHBondContact CD2-SD 3.3Å; L512-F694 HydrophobicContact CD1-CZ 4.33Å; L512-F694 HydrophobicContact CD2-CE1 4.46Å; L512-L698 HydrophobicContact CB-CD2 4.42Å; L512-L698 HydrophobicContact CD1-CD1 3.91Å; L512-L698 HydrophobicContact CD1-CD2 3.85Å; L512-V707 HydrophobicContact CB-CG1 3.85Å; L512-V707 HydrophobicContact CB-CG2 3.9Å; L512-V707 HydrophobicContact CD1-CG2 4.25Å
513	S	93.1	Very high	90.9	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-47	169.7	-60	0	0	0	0	110.7	A509 L515 N516 E517 D708	A509-S513 PolarHBondContact O-N 2.96Å; A509-S513 PolarHBondContact O-OG 3Å; S513-L515 VanDerWaalsContact C-N 3.31Å; S513-L515 PolarHBondContact O-N 2.77Å; S513-N516 PolarHBondContact O-N 2.87Å; S513-N516 VanDerWaalsContact O-N 3.13Å; S513-E517 WeakPolarHBondContact O-CG 3.34Å; S513-E517 PolarHBondContact O-N 3.06Å; S513-D708 WeakPolarHBondContact CB-OD2 3.33Å; S513-D708 PolarHBondContact OG-N 3.3Å; S513-D708 PolarHBondContact OG-OD2 3.35Å
514	S	93.2	Very high	91.6	Very high	13 Å²	13	34.1 Å²	34.1	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-31.2	175.3	-63	0	0	0	0	113.7	H500 A510 L512 L518	H500-S514 PolarHBondContact ND1-OG 3.41Å; A510-S514 WeakPolarHBondContact O-CB 3.49Å; A510-S514 PolarHBondContact O-N 2.8Å; A510-S514 PolarHBondContact O-OG 3.37Å; A510-S514 VanDerWaalsContact O-OG 3.05Å; L512-S514 VanDerWaalsContact C-N 3.35Å; L512-S514 PolarHBondContact O-N 3.28Å; S514-L518 VanDerWaalsContact O-CB 3.22Å; S514-L518 WeakPolarHBondContact O-CB 3.46Å; S514-L518 PolarHBondContact O-N 3.09Å; S514-L518 VanDerWaalsContact O-N 3.11Å
515	L	94.7	Very high	92.3	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.12	17%	0.174	C	C	.	.	H	α-helix	trans	-71.9	-38.4	172.4	-82.6	176.1	0	0	0	112.4	L511 L512 S513 G519 F575 L579 F581 M591	L511-L515 WeakPolarHBondContact O-CG 3.41Å; L511-L515 PolarHBondContact O-N 3.18Å; L512-L515 HydrophobicContact CD2-CD1 4.14Å; L512-L515 PolarHBondContact O-N 3.23Å; L512-L515 VanDerWaalsContact O-N 3.16Å; S513-L515 VanDerWaalsContact C-N 3.31Å; S513-L515 PolarHBondContact O-N 2.77Å; L515-G519 PolarHBondContact O-N 3.31Å; L515-F575 HydrophobicContact CD2-CB 4.03Å; L515-F575 HydrophobicContact CD2-CD1 3.51Å; L515-F575 HydrophobicContact CD2-CD2 4.03Å; L515-F575 HydrophobicContact CD2-CE1 3.88Å; L515-F575 HydrophobicContact CD2-CE2 4.36Å; L515-F575 HydrophobicContact CD2-CG 3.6Å; L515-F575 HydrophobicContact CD2-CZ 4.29Å; L515-L579 HydrophobicContact CD2-CD2 3.68Å; L515-L579 HydrophobicContact CG-CD2 3.95Å; L515-F581 HydrophobicContact CD1-CE1 4.37Å; L515-F581 HydrophobicContact CD1-CE2 3.98Å; L515-F581 HydrophobicContact CD1-CZ 3.57Å; L515-F581 HydrophobicContact CG-CZ 4.16Å; L515-M591 HydrophobicContact CD1-SD 3.96Å
516	N	94.1	Very high	92.8	Very high	7 Å²	7	27 Å²	27	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-69.6	-44	177.9	-72.1	-18.9	0	0	0	111.6	L512 S513 L518 G519 E520 D708 F709 M713	L512-N516 PolarHBondContact O-N 2.9Å; S513-N516 PolarHBondContact O-N 2.87Å; S513-N516 VanDerWaalsContact O-N 3.13Å; N516-L518 PolarHBondContact O-N 3.38Å; N516-G519 WeakPolarHBondContact O-CA 3.47Å; N516-G519 PolarHBondContact O-N 3.24Å; N516-G519 VanDerWaalsContact O-N 3.09Å; N516-E520 PolarHBondContact O-N 3.05Å; N516-D708 WeakPolarHBondContact CB-O 3.31Å; N516-D708 PolarHBondContact ND2-O 2.97Å; N516-F709 WeakPolarHBondContact ND2-CD1 3.46Å; N516-F709 WeakPolarHBondContact ND2-CE1 3.36Å; N516-F709 WeakPolarHBondContact ND2-CZ 3.07Å; N516-M713 HydrophobicContact CB-SD 4.18Å
517	E	93	Very high	93	Very high	65 Å²	65	26.1 Å²	26.1	30%	0.304	14%	0.141	S	C	.	.	H	α-helix	trans	-58.4	-45.8	171.6	-76	-178.2	-139.3	0	0	112.4	S513 G519 E520 R521 P710	S513-E517 WeakPolarHBondContact O-CG 3.34Å; S513-E517 PolarHBondContact O-N 3.06Å; E517-G519 PolarHBondContact O-N 3.03Å; E517-E520 PolarHBondContact O-N 3.14Å; E517-R521 WeakPolarHBondContact O-CG 3.22Å; E517-R521 PolarHBondContact O-N 3.22Å; E517-R521 VanDerWaalsContact O-N 3.11Å; E517-R521 IonicContact OE2-CZ 3.16Å; E517-R521 IonicContact OE2-NH1 3.71Å; E517-R521 PolarHBondContact OE2-NH1 2.84Å; E517-R521 IonicContact OE2-NH2 2.74Å; E517-R521 PolarHBondContact OE2-NH2 3.03Å; E517-P710 HydrophobicContact CG-CG 4.45Å
518	L	94.3	Very high	93	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-37.1	173.7	-179.3	64.4	0	0	0	111.4	V496 A498 S514 N516 Q522 F575 A576 L579	V496-L518 HydrophobicContact CB-CD1 4.43Å; V496-L518 HydrophobicContact CG1-CD1 4.04Å; A498-L518 HydrophobicContact CB-CB 4.08Å; A498-L518 HydrophobicContact CB-CD1 4.26Å; A498-L518 HydrophobicContact CB-CD2 4.25Å; A498-L518 HydrophobicContact CB-CG 4.43Å; S514-L518 VanDerWaalsContact O-CB 3.22Å; S514-L518 WeakPolarHBondContact O-CB 3.46Å; S514-L518 PolarHBondContact O-N 3.09Å; S514-L518 VanDerWaalsContact O-N 3.11Å; N516-L518 PolarHBondContact O-N 3.38Å; L518-Q522 HydrophobicContact CD1-CG 4.27Å; L518-Q522 VanDerWaalsContact CD1-NE2 3.27Å; L518-Q522 HydrophobicContact CG-CG 4.47Å; L518-Q522 VanDerWaalsContact CG-NE2 3.33Å; L518-Q522 VanDerWaalsContact O-CB 3.31Å; L518-Q522 WeakPolarHBondContact O-CB 3.43Å; L518-Q522 VanDerWaalsContact O-CG 3.3Å; L518-Q522 WeakPolarHBondContact O-CG 3.08Å; L518-Q522 PolarHBondContact O-N 3.24Å; L518-F575 HydrophobicContact CD2-CB 3.75Å; L518-A576 HydrophobicContact CD1-CB 3.91Å; L518-A576 HydrophobicContact CD2-CB 3.77Å; L518-L579 HydrophobicContact CD2-CD2 4.18Å
519	G	94.1	Very high	93.1	Very high	4 Å²	4	28.6 Å²	28.6	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-52.4	174.7	0	0	0	0	0	112.6	L515 N516 E517 R521 Q522 L523 M556	L515-G519 PolarHBondContact O-N 3.31Å; N516-G519 WeakPolarHBondContact O-CA 3.47Å; N516-G519 PolarHBondContact O-N 3.24Å; N516-G519 VanDerWaalsContact O-N 3.09Å; E517-G519 PolarHBondContact O-N 3.03Å; G519-R521 PolarHBondContact O-N 3.28Å; G519-Q522 CarbonylContact O-C 3.6Å; G519-Q522 PolarHBondContact O-N 3.29Å; G519-L523 WeakPolarHBondContact O-CG 3.47Å; G519-L523 PolarHBondContact O-N 3.29Å; G519-M556 WeakPolarHBondContact O-CE 3.44Å
520	E	93.5	Very high	93.2	Very high	52 Å²	52	27.4 Å²	27.4	24%	0.243	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-47.4	176.3	-177.8	178.4	-109	0	0	112.2	N516 E517 Q522 L523 V524 P710 M712	N516-E520 PolarHBondContact O-N 3.05Å; E517-E520 PolarHBondContact O-N 3.14Å; E520-Q522 VanDerWaalsContact C-N 3.26Å; E520-Q522 PolarHBondContact O-N 2.83Å; E520-L523 WeakPolarHBondContact O-CB 3.41Å; E520-L523 PolarHBondContact O-N 3.07Å; E520-V524 PolarHBondContact O-N 2.88Å; E520-V524 VanDerWaalsContact O-N 3.09Å; E520-P710 HydrophobicContact CB-CB 3.86Å; E520-P710 HydrophobicContact CB-CG 4.02Å; E520-P710 HydrophobicContact CG-CB 4.12Å; E520-P710 WeakPolarHBondContact OE1-CB 3.39Å; E520-P710 WeakPolarHBondContact OE2-CB 3.28Å; E520-M712 HydrophobicContact CG-CB 4.04Å; E520-M712 HydrophobicContact CG-CE 4.37Å; E520-M712 HydrophobicContact CG-SD 4.17Å; E520-M712 WeakPolarHBondContact OE1-CB 3.19Å; E520-M712 PolarHBondContact OE1-N 3.46Å
521	R	93.1	Very high	93.1	Very high	90 Å²	90	26.5 Å²	26.5	34%	0.34	13%	0.125	S	C	.	.	H	α-helix	trans	-61.6	-37.5	178.6	-63.4	175.5	-165.5	124.9	7.7	111.5	V496 A498 E517 G519 H525	V496-R521 HydrophobicContact CG1-CB 3.62Å; A498-R521 VanDerWaalsContact C-NH1 3.26Å; A498-R521 PolarHBondContact O-NH1 3.43Å; E517-R521 WeakPolarHBondContact O-CG 3.22Å; E517-R521 PolarHBondContact O-N 3.22Å; E517-R521 VanDerWaalsContact O-N 3.11Å; E517-R521 IonicContact OE2-CZ 3.16Å; E517-R521 IonicContact OE2-NH1 3.71Å; E517-R521 PolarHBondContact OE2-NH1 2.84Å; E517-R521 IonicContact OE2-NH2 2.74Å; E517-R521 PolarHBondContact OE2-NH2 3.03Å; G519-R521 PolarHBondContact O-N 3.28Å; R521-H525 PolarHBondContact O-CD2 3.4Å; R521-H525 VanDerWaalsContact O-CD2 3.28Å; R521-H525 PolarHBondContact O-N 2.65Å
522	Q	93.9	Very high	93	Very high	24 Å²	24	28.7 Å²	28.7	11%	0.112	14%	0.143	C	C	.	.	H	α-helix	trans	-70.2	-34.1	173	-73.7	-176.7	29.9	0	0	112.6	V496 L518 G519 E520 H525 V526 M556	V496-Q522 HydrophobicContact CB-CG 4.26Å; V496-Q522 HydrophobicContact CG1-CG 4.48Å; L518-Q522 HydrophobicContact CD1-CG 4.27Å; L518-Q522 VanDerWaalsContact CD1-NE2 3.27Å; L518-Q522 HydrophobicContact CG-CG 4.47Å; L518-Q522 VanDerWaalsContact CG-NE2 3.33Å; L518-Q522 VanDerWaalsContact O-CB 3.31Å; L518-Q522 WeakPolarHBondContact O-CB 3.43Å; L518-Q522 VanDerWaalsContact O-CG 3.3Å; L518-Q522 WeakPolarHBondContact O-CG 3.08Å; L518-Q522 PolarHBondContact O-N 3.24Å; G519-Q522 CarbonylContact O-C 3.6Å; G519-Q522 PolarHBondContact O-N 3.29Å; E520-Q522 VanDerWaalsContact C-N 3.26Å; E520-Q522 PolarHBondContact O-N 2.83Å; Q522-H525 PolarHBondContact O-N 3.41Å; Q522-V526 VanDerWaalsContact O-CG2 3.32Å; Q522-V526 WeakPolarHBondContact O-CG2 3.48Å; Q522-V526 PolarHBondContact O-N 3.15Å; Q522-M556 HydrophobicContact CB-CE 4.01Å
523	L	93.3	Very high	92.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.9	-47.6	172.9	-80.2	164.7	0	0	0	111.7	G519 E520 H525 V526 V527 W552 M556 M712 M713 I716	G519-L523 WeakPolarHBondContact O-CG 3.47Å; G519-L523 PolarHBondContact O-N 3.29Å; E520-L523 WeakPolarHBondContact O-CB 3.41Å; E520-L523 PolarHBondContact O-N 3.07Å; L523-H525 PolarHBondContact O-N 3.29Å; L523-V526 PolarHBondContact O-N 3.32Å; L523-V526 VanDerWaalsContact O-N 3.07Å; L523-V527 WeakPolarHBondContact O-CG2 3.36Å; L523-V527 PolarHBondContact O-N 3.48Å; L523-W552 HydrophobicContact CD2-CB 3.54Å; L523-W552 HydrophobicContact CD2-CD2 4.21Å; L523-W552 HydrophobicContact CD2-CE3 4.31Å; L523-W552 HydrophobicContact CD2-CG 3.92Å; L523-M556 HydrophobicContact CD1-CE 4.49Å; L523-M556 HydrophobicContact CD2-CE 4.14Å; L523-M556 HydrophobicContact CG-CE 3.68Å; L523-M712 HydrophobicContact CB-SD 4.18Å; L523-M713 HydrophobicContact CD1-CB 4.34Å; L523-M713 HydrophobicContact CD1-CG 4.49Å; L523-I716 HydrophobicContact CD1-CD1 3.5Å; L523-I716 HydrophobicContact CD2-CD1 3.92Å; L523-I716 HydrophobicContact CG-CD1 4.37Å
524	V	92.8	Very high	92.5	Very high	28 Å²	28	30.3 Å²	30.3	17%	0.17	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-38.9	176.6	176	0	0	0	0	111.4	L248 E520 K528 M712	L248-V524 HydrophobicContact CD1-CG2 4.36Å; E520-V524 PolarHBondContact O-N 2.88Å; E520-V524 VanDerWaalsContact O-N 3.09Å; V524-K528 HydrophobicContact CG1-CD 4.49Å; V524-K528 WeakPolarHBondContact O-CG 3.31Å; V524-K528 PolarHBondContact O-N 2.99Å; V524-M712 HydrophobicContact CG2-CE 3.7Å; V524-M712 HydrophobicContact CG2-SD 3.93Å
525	H	91.7	Very high	92.1	Very high	66 Å²	66	31 Å²	31	31%	0.306	16%	0.161	S	C	.	.	H	α-helix	trans	-72.6	-36	176	-79.9	-123.4	0	0	0	112.6	P493 R521 Q522 L523 K528 W529	P493-H525 HydrophobicContact CB-CB 3.93Å; R521-H525 PolarHBondContact O-CD2 3.4Å; R521-H525 VanDerWaalsContact O-CD2 3.28Å; R521-H525 PolarHBondContact O-N 2.65Å; Q522-H525 PolarHBondContact O-N 3.41Å; L523-H525 PolarHBondContact O-N 3.29Å; H525-K528 PolarHBondContact O-N 3.4Å; H525-W529 VanDerWaalsContact O-CB 3.31Å; H525-W529 WeakPolarHBondContact O-CB 3.44Å; H525-W529 PolarHBondContact O-N 3.3Å
526	V	93.3	Very high	91.8	Very high	12 Å²	12	29.9 Å²	29.9	7%	0.073	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-39.2	174.3	168	0	0	0	0	111.6	Q522 L523 W529 A530 I548 L555	Q522-V526 VanDerWaalsContact O-CG2 3.32Å; Q522-V526 WeakPolarHBondContact O-CG2 3.48Å; Q522-V526 PolarHBondContact O-N 3.15Å; L523-V526 PolarHBondContact O-N 3.32Å; L523-V526 VanDerWaalsContact O-N 3.07Å; V526-W529 HydrophobicContact CG1-CE3 4.43Å; V526-W529 PolarHBondContact O-N 3Å; V526-A530 VanDerWaalsContact O-CB 3.25Å; V526-A530 WeakPolarHBondContact O-CB 3.32Å; V526-A530 PolarHBondContact O-N 3.18Å; V526-I548 HydrophobicContact CG1-CG2 4.07Å; V526-L555 HydrophobicContact CG1-CD1 4.08Å
527	V	92.6	Very high	91.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-44.5	174.8	173.5	0	0	0	0	111	W245 L248 F249 L523 A530 K531 I548	W245-V527 HydrophobicContact CH2-CG2 4.21Å; W245-V527 HydrophobicContact CZ3-CG2 4.46Å; L248-V527 HydrophobicContact CB-CG1 4.26Å; L248-V527 HydrophobicContact CD1-CG2 4.33Å; F249-V527 HydrophobicContact CE2-CG1 3.89Å; F249-V527 HydrophobicContact CE2-CG2 4.35Å; F249-V527 HydrophobicContact CZ-CG1 3.79Å; F249-V527 HydrophobicContact CZ-CG2 4.36Å; L523-V527 WeakPolarHBondContact O-CG2 3.36Å; L523-V527 PolarHBondContact O-N 3.48Å; V527-A530 PolarHBondContact O-N 2.85Å; V527-K531 WeakPolarHBondContact O-CB 3.36Å; V527-K531 WeakPolarHBondContact O-CG 3.22Å; V527-K531 PolarHBondContact O-N 3.33Å; V527-I548 HydrophobicContact CG2-CD1 4.35Å; V527-I548 HydrophobicContact CG2-CG2 4.29Å
528	K	91.3	Very high	91.3	Very high	130 Å²	130	38.3 Å²	38.3	57%	0.565	19%	0.193	S	C	*	.	H	α-helix	trans	-63	-45.8	176	-70.3	171.4	-176.8	176.2	0	112	V524 H525 K531 A532	V524-K528 HydrophobicContact CG1-CD 4.49Å; V524-K528 WeakPolarHBondContact O-CG 3.31Å; V524-K528 PolarHBondContact O-N 2.99Å; H525-K528 PolarHBondContact O-N 3.4Å; K528-K531 PolarHBondContact O-N 3.45Å; K528-A532 PolarHBondContact O-N 3.08Å
529	W	94.5	Very high	90.8	Very high	6 Å²	6	38.4 Å²	38.4	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-48	174.9	169.6	81.6	0	0	0	111.8	H525 V526 K531 A532 L533 L555 K619 A620 L623	H525-W529 VanDerWaalsContact O-CB 3.31Å; H525-W529 WeakPolarHBondContact O-CB 3.44Å; H525-W529 PolarHBondContact O-N 3.3Å; V526-W529 HydrophobicContact CG1-CE3 4.43Å; V526-W529 PolarHBondContact O-N 3Å; W529-K531 PolarHBondContact O-N 2.64Å; W529-A532 WeakPolarHBondContact O-CB 3.45Å; W529-A532 PolarHBondContact O-N 3.33Å; W529-L533 HydrophobicContact CD2-CD1 4.49Å; W529-L533 HydrophobicContact CE3-CD1 4.31Å; W529-L533 HydrophobicContact CH2-CD1 3.92Å; W529-L533 HydrophobicContact CZ2-CD1 4.1Å; W529-L533 HydrophobicContact CZ2-CD2 4.23Å; W529-L533 HydrophobicContact CZ3-CD1 4.03Å; W529-L533 PolarHBondContact O-N 3.06Å; W529-L555 HydrophobicContact CH2-CD2 3.96Å; W529-L555 HydrophobicContact CZ3-CD1 4.11Å; W529-L555 HydrophobicContact CZ3-CD2 4.05Å; W529-K619 HydrophobicContact CH2-CD 4.31Å; W529-K619 HydrophobicContact CH2-CG 3.9Å; W529-K619 HydrophobicContact CZ2-CB 4.46Å; W529-K619 HydrophobicContact CZ2-CD 3.75Å; W529-K619 HydrophobicContact CZ2-CG 3.74Å; W529-A620 HydrophobicContact CZ2-CB 4.48Å; W529-L623 HydrophobicContact CH2-CB 4.38Å; W529-L623 HydrophobicContact CH2-CD2 4.46Å; W529-L623 HydrophobicContact CZ3-CB 4.36Å; W529-L623 HydrophobicContact CZ3-CD2 4.07Å
530	A	92.2	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-45	179.9	0	0	0	0	0	112	V526 V527 A532 L533 F536 I548 L623	V526-A530 VanDerWaalsContact O-CB 3.25Å; V526-A530 WeakPolarHBondContact O-CB 3.32Å; V526-A530 PolarHBondContact O-N 3.18Å; V527-A530 PolarHBondContact O-N 2.85Å; A530-A532 PolarHBondContact O-N 3.42Å; A530-A532 VanDerWaalsContact O-N 3.15Å; A530-L533 WeakPolarHBondContact O-CB 3.11Å; A530-L533 PolarHBondContact O-N 3.44Å; A530-F536 HydrophobicContact CB-CD1 4.34Å; A530-F536 HydrophobicContact CB-CE1 3.99Å; A530-F536 HydrophobicContact CB-CE2 4.27Å; A530-F536 HydrophobicContact CB-CZ 3.97Å; A530-F536 VanDerWaalsContact O-CB 3.23Å; A530-F536 WeakPolarHBondContact O-CB 3.19Å; A530-F536 WeakPolarHBondContact O-CD1 3.46Å; A530-F536 WeakPolarHBondContact O-CG 3.17Å; A530-I548 HydrophobicContact CB-CD1 3.72Å; A530-I548 HydrophobicContact CB-CG1 4.03Å; A530-L623 HydrophobicContact CB-CD2 4.22Å
531	K	90.4	Very high	90	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.087	22%	0.215	C	C	.	.	H	α-helix	trans	-57.4	-26.6	172.9	-79.4	-177.8	163.3	-166.2	0	113.7	L248 F249 E252 V527 K528 W529 R537	L248-K531 WeakPolarHBondContact O-CE 3.28Å; L248-K531 PolarHBondContact O-NZ 3.36Å; F249-K531 PolarHBondContact O-NZ 3.18Å; E252-K531 VanDerWaalsContact OE2-CD 3.28Å; E252-K531 WeakPolarHBondContact OE2-CD 3.05Å; E252-K531 WeakPolarHBondContact OE2-CE 3.22Å; E252-K531 IonicContact OE2-NZ 3.01Å; E252-K531 PolarHBondContact OE2-NZ 3.27Å; V527-K531 WeakPolarHBondContact O-CB 3.36Å; V527-K531 WeakPolarHBondContact O-CG 3.22Å; V527-K531 PolarHBondContact O-N 3.33Å; K528-K531 PolarHBondContact O-N 3.45Å; W529-K531 PolarHBondContact O-N 2.64Å; K531-R537 WeakPolarHBondContact O-CD 3.44Å; K531-R537 WeakPolarHBondContact O-CG 3.32Å
532	A	89.4	Confident	89.5	Confident	46 Å²	46	41.2 Å²	41.2	38%	0.38	22%	0.216	S	C	.	.	H	α-helix	trans	-89.1	-10.9	179.1	0	0	0	0	0	114.1	I491 K528 W529 A530	I491-A532 HydrophobicContact CB-CB 3.97Å; I491-A532 HydrophobicContact CD1-CB 4.31Å; I491-A532 HydrophobicContact CG2-CB 3.6Å; K528-A532 PolarHBondContact O-N 3.08Å; W529-A532 WeakPolarHBondContact O-CB 3.45Å; W529-A532 PolarHBondContact O-N 3.33Å; A530-A532 PolarHBondContact O-N 3.42Å; A530-A532 VanDerWaalsContact O-N 3.15Å
533	L	89.3	Confident	89	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-65.5	135.5	178.2	-78.3	170	0	0	0	112	L488 I491 W529 A530 G535 F536 A620 L623 F624 Y652	L488-L533 HydrophobicContact CD2-CD2 3.46Å; L488-L533 VanDerWaalsContact CD2-CD2 3.46Å; I491-L533 HydrophobicContact CD1-CD2 3.69Å; I491-L533 HydrophobicContact CD1-CG 4.03Å; W529-L533 HydrophobicContact CD2-CD1 4.49Å; W529-L533 HydrophobicContact CE3-CD1 4.31Å; W529-L533 HydrophobicContact CH2-CD1 3.92Å; W529-L533 HydrophobicContact CZ2-CD1 4.1Å; W529-L533 HydrophobicContact CZ2-CD2 4.23Å; W529-L533 HydrophobicContact CZ3-CD1 4.03Å; W529-L533 PolarHBondContact O-N 3.06Å; A530-L533 WeakPolarHBondContact O-CB 3.11Å; A530-L533 PolarHBondContact O-N 3.44Å; L533-G535 PolarHBondContact O-N 3.3Å; L533-G535 VanDerWaalsContact O-N 3.11Å; L533-F536 HydrophobicContact CB-CB 3.95Å; L533-F536 PolarHBondContact O-N 3.34Å; L533-F536 VanDerWaalsContact O-N 3.09Å; L533-A620 HydrophobicContact CD2-CB 3.99Å; L533-L623 HydrophobicContact CD1-CD2 3.29Å; L533-F624 HydrophobicContact CD1-CE2 4.35Å; L533-F624 HydrophobicContact CD1-CZ 4.42Å; L533-Y652 HydrophobicContact CD2-CE1 4.29Å
534	P	88.4	Confident	88.7	Confident	40 Å²	40	41.1 Å²	41.1	26%	0.26	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	119.7	172.3	-29.9	35.6	0	0	0	112.5	F484 V487 F536 Y652	F484-P534 HydrophobicContact CD2-CB 4.46Å; F484-P534 HydrophobicContact CD2-CG 4.31Å; F484-P534 HydrophobicContact CE2-CB 3.86Å; F484-P534 HydrophobicContact CE2-CG 4.03Å; F484-P534 HydrophobicContact CZ-CB 4.44Å; F484-P534 HydrophobicContact CZ-CG 4.46Å; V487-P534 HydrophobicContact CG1-CG 3.92Å; P534-F536 VanDerWaalsContact C-N 3.35Å; P534-F536 PolarHBondContact O-N 2.88Å; P534-Y652 WeakPolarHBondContact CD-OH 3.31Å; P534-Y652 PolarHBondContact O-OH 3.09Å
535	G	85.1	Confident	88.4	Confident	26 Å²	26	40.8 Å²	40.8	27%	0.268	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-12.1	177.1	0	0	0	0	0	116.6	L533 N538 F644	L533-G535 PolarHBondContact O-N 3.3Å; L533-G535 VanDerWaalsContact O-N 3.11Å; G535-N538 WeakPolarHBondContact O-CB 3.42Å; G535-N538 PolarHBondContact O-N 2.86Å; G535-F644 WeakPolarHBondContact O-CE1 3.49Å
536	F	87.9	Confident	88.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.9	-44.8	-175.3	-177.6	-90.9	0	0	0	113	A530 L533 P534 N538 L539 Q544 V547 I548 L623 F624	A530-F536 HydrophobicContact CB-CD1 4.34Å; A530-F536 HydrophobicContact CB-CE1 3.99Å; A530-F536 HydrophobicContact CB-CE2 4.27Å; A530-F536 HydrophobicContact CB-CZ 3.97Å; A530-F536 VanDerWaalsContact O-CB 3.23Å; A530-F536 WeakPolarHBondContact O-CB 3.19Å; A530-F536 WeakPolarHBondContact O-CD1 3.46Å; A530-F536 WeakPolarHBondContact O-CG 3.17Å; L533-F536 HydrophobicContact CB-CB 3.95Å; L533-F536 PolarHBondContact O-N 3.34Å; L533-F536 VanDerWaalsContact O-N 3.09Å; P534-F536 VanDerWaalsContact C-N 3.35Å; P534-F536 PolarHBondContact O-N 2.88Å; F536-N538 PolarHBondContact O-N 3.36Å; F536-L539 HydrophobicContact CD2-CD1 4.01Å; F536-L539 HydrophobicContact CE2-CD1 4.22Å; F536-L539 WeakPolarHBondContact O-CB 3.38Å; F536-L539 PolarHBondContact O-N 3.33Å; F536-Q544 HydrophobicContact CD1-CG 4.04Å; F536-Q544 HydrophobicContact CE1-CB 3.59Å; F536-Q544 HydrophobicContact CE1-CG 3.55Å; F536-Q544 HydrophobicContact CZ-CB 3.61Å; F536-Q544 HydrophobicContact CZ-CG 3.85Å; F536-V547 HydrophobicContact CE2-CG1 4.19Å; F536-I548 HydrophobicContact CE1-CD1 4.15Å; F536-I548 HydrophobicContact CZ-CD1 3.66Å; F536-I548 HydrophobicContact CZ-CG1 3.96Å; F536-L623 HydrophobicContact CD2-CD2 3.92Å; F536-L623 HydrophobicContact CE2-CD2 3.92Å; F536-F624 AromaticContact CD2-CE1 3.91Å; F536-F624 HydrophobicContact CD2-CE1 3.91Å; F536-F624 AromaticContact CD2-CZ 3.94Å; F536-F624 HydrophobicContact CD2-CZ 3.94Å
537	R	88.9	Confident	87.8	Confident	134 Å²	134	38.5 Å²	38.5	51%	0.506	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-59.3	-9.5	175.9	-90.3	177.3	166.5	176.4	-1.7	115	E252 K531 Q544	E252-R537 IonicContact OE1-CZ 2.72Å; E252-R537 IonicContact OE1-NH2 3.55Å; E252-R537 PolarHBondContact OE1-NH2 3.48Å; E252-R537 IonicContact OE2-CZ 3.11Å; E252-R537 IonicContact OE2-NH2 3.39Å; E252-R537 PolarHBondContact OE2-NH2 3.18Å; K531-R537 WeakPolarHBondContact O-CD 3.44Å; K531-R537 WeakPolarHBondContact O-CG 3.32Å; R537-Q544 PolarHBondContact O-NE2 3.25Å
538	N	87.2	Confident	87.6	Confident	115 Å²	115	38.3 Å²	38.3	62%	0.615	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-91.6	-8	176.9	-62.3	20.1	0	0	0	113.2	G535 F536 F644	G535-N538 WeakPolarHBondContact O-CB 3.42Å; G535-N538 PolarHBondContact O-N 2.86Å; F536-N538 PolarHBondContact O-N 3.36Å; N538-F644 HydrophobicContact CB-CE1 3.58Å; N538-F644 HydrophobicContact CB-CZ 3.55Å
539	L	83.9	Confident	87.5	Confident	7 Å²	7	33 Å²	33	4%	0.037	18%	0.182	C	C	.	.	S	Bend	trans	-70	156.6	168.1	-71.8	162.9	0	0	0	110.1	F536 D543 Q544 F624 F644 F645 L648	F536-L539 HydrophobicContact CD2-CD1 4.01Å; F536-L539 HydrophobicContact CE2-CD1 4.22Å; F536-L539 WeakPolarHBondContact O-CB 3.38Å; F536-L539 PolarHBondContact O-N 3.33Å; L539-D543 HydrophobicContact CB-CB 4.14Å; L539-D543 HydrophobicContact CD2-CB 4.4Å; L539-Q544 HydrophobicContact CB-CG 3.71Å; L539-Q544 PolarHBondContact O-NE2 3.05Å; L539-F624 HydrophobicContact CD1-CE1 4.37Å; L539-F644 HydrophobicContact CD2-CD1 3.86Å; L539-F644 HydrophobicContact CD2-CE1 4.41Å; L539-F644 HydrophobicContact CG-CD1 4.19Å; L539-F644 HydrophobicContact CG-CE1 4.25Å; L539-F645 HydrophobicContact CD2-CB 4.04Å; L539-F645 HydrophobicContact CD2-CD2 4.36Å; L539-L648 HydrophobicContact CD1-CD2 4.13Å; L539-L648 HydrophobicContact CG-CD2 4.45Å
540	H	84.7	Confident	87.1	Confident	70 Å²	70	34.6 Å²	34.6	32%	0.324	19%	0.188	S	C	.	.			trans	-60	149.1	171.3	-169.1	-76	0	0	0	109.9	D542 D543 Q544 K640	H540-D542 VanDerWaalsContact C-N 3.32Å; H540-D542 VanDerWaalsContact CE1-CG 3.49Å; H540-D542 IonicContact CE1-OD1 2.73Å; H540-D542 IonicContact CE1-OD2 2.72Å; H540-D542 PolarHBondContact CE1-OD2 3.4Å; H540-D542 PolarHBondContact ND1-N 3.09Å; H540-D542 IonicContact ND1-OD1 3.58Å; H540-D542 IonicContact ND1-OD2 3.66Å; H540-D542 PolarHBondContact ND1-OD2 3.37Å; H540-D542 PolarHBondContact O-N 3.29Å; H540-D543 HydrophobicContact CB-CB 4.14Å; H540-D543 CarbonylContact O-C 3.46Å; H540-D543 WeakPolarHBondContact O-CA 3.27Å; H540-D543 WeakPolarHBondContact O-CB 3.46Å; H540-D543 PolarHBondContact O-N 3.46Å; H540-Q544 WeakPolarHBondContact O-CG 3.3Å; H540-Q544 PolarHBondContact O-N 2.87Å; H540-K640 HydrophobicContact CB-CB 4.19Å; H540-K640 HydrophobicContact CB-CD 4.35Å; H540-K640 PolarHBondContact CE1-NZ 2.87Å
541	V	85.9	Confident	86.9	Confident	68 Å²	68	34.8 Å²	34.8	41%	0.412	19%	0.19	S	C	.	.	H	α-helix	trans	-56.7	-46	-177.4	-176.3	0	0	0	0	111.3	F249 D543 Q544 M545	F249-V541 HydrophobicContact CB-CG1 4.14Å; F249-V541 HydrophobicContact CD1-CG1 4.21Å; F249-V541 HydrophobicContact CG-CG1 4.46Å; V541-D543 VanDerWaalsContact C-N 3.34Å; V541-D543 PolarHBondContact O-N 3.15Å; V541-Q544 WeakPolarHBondContact O-CB 3.45Å; V541-Q544 PolarHBondContact O-N 3.48Å; V541-Q544 VanDerWaalsContact O-N 3.11Å; V541-M545 HydrophobicContact CG1-CE 4.29Å; V541-M545 WeakPolarHBondContact O-CG 3.24Å; V541-M545 PolarHBondContact O-N 2.97Å
542	D	82.6	Confident	86.9	Confident	67 Å²	67	33.9 Å²	33.9	36%	0.358	19%	0.186	S	C	.	.	H	α-helix	trans	-58.4	-39.4	172.5	-44.1	-22.8	0	0	0	113.8	H540 Q544 M545 A546 K640	H540-D542 VanDerWaalsContact C-N 3.32Å; H540-D542 VanDerWaalsContact CE1-CG 3.49Å; H540-D542 IonicContact CE1-OD1 2.73Å; H540-D542 IonicContact CE1-OD2 2.72Å; H540-D542 PolarHBondContact CE1-OD2 3.4Å; H540-D542 PolarHBondContact ND1-N 3.09Å; H540-D542 IonicContact ND1-OD1 3.58Å; H540-D542 IonicContact ND1-OD2 3.66Å; H540-D542 PolarHBondContact ND1-OD2 3.37Å; H540-D542 PolarHBondContact O-N 3.29Å; D542-Q544 VanDerWaalsContact C-N 3.34Å; D542-M545 HydrophobicContact CB-CE 4.45Å; D542-M545 PolarHBondContact O-N 3.36Å; D542-A546 VanDerWaalsContact O-CB 3.25Å; D542-A546 WeakPolarHBondContact O-CB 3.45Å; D542-A546 PolarHBondContact O-N 3.22Å; D542-K640 WeakPolarHBondContact OD2-CE 3.46Å; D542-K640 IonicContact OD2-NZ 3.07Å; D542-K640 PolarHBondContact OD2-NZ 2.92Å
543	D	84.3	Confident	87.1	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.032	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-40.8	174.8	-67.1	-12.3	0	0	0	110.2	L539 H540 V541 V547 L639 K640 N641	L539-D543 HydrophobicContact CB-CB 4.14Å; L539-D543 HydrophobicContact CD2-CB 4.4Å; H540-D543 HydrophobicContact CB-CB 4.14Å; H540-D543 CarbonylContact O-C 3.46Å; H540-D543 WeakPolarHBondContact O-CA 3.27Å; H540-D543 WeakPolarHBondContact O-CB 3.46Å; H540-D543 PolarHBondContact O-N 3.46Å; V541-D543 VanDerWaalsContact C-N 3.34Å; V541-D543 PolarHBondContact O-N 3.15Å; D543-V547 VanDerWaalsContact O-CB 3.27Å; D543-V547 WeakPolarHBondContact O-CB 3.5Å; D543-V547 WeakPolarHBondContact O-CG2 3.45Å; D543-V547 PolarHBondContact O-N 3.02Å; D543-L639 HydrophobicContact CB-CD2 3.93Å; D543-L639 WeakPolarHBondContact OD1-CA 3.42Å; D543-K640 PolarHBondContact OD1-N 2.83Å; D543-K640 PolarHBondContact OD2-N 3.04Å; D543-N641 PolarHBondContact OD2-N 3.13Å
544	Q	86.9	Confident	87.3	Confident	15 Å²	15	32.4 Å²	32.4	7%	0.07	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-47.3	175.7	-66.3	179	47.2	0	0	111.5	F249 F536 R537 L539 H540 V541 D542 I548	F249-Q544 HydrophobicContact CE1-CB 4.07Å; F536-Q544 HydrophobicContact CD1-CG 4.04Å; F536-Q544 HydrophobicContact CE1-CB 3.59Å; F536-Q544 HydrophobicContact CE1-CG 3.55Å; F536-Q544 HydrophobicContact CZ-CB 3.61Å; F536-Q544 HydrophobicContact CZ-CG 3.85Å; R537-Q544 PolarHBondContact O-NE2 3.25Å; L539-Q544 HydrophobicContact CB-CG 3.71Å; L539-Q544 PolarHBondContact O-NE2 3.05Å; H540-Q544 WeakPolarHBondContact O-CG 3.3Å; H540-Q544 PolarHBondContact O-N 2.87Å; V541-Q544 WeakPolarHBondContact O-CB 3.45Å; V541-Q544 PolarHBondContact O-N 3.48Å; V541-Q544 VanDerWaalsContact O-N 3.11Å; D542-Q544 VanDerWaalsContact C-N 3.34Å; Q544-I548 WeakPolarHBondContact O-CD1 3.29Å; Q544-I548 WeakPolarHBondContact O-CG1 3.34Å; Q544-I548 PolarHBondContact O-N 3.38Å
545	M	85.9	Confident	87.5	Confident	21 Å²	21	30.6 Å²	30.6	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-52.1	177.7	-68.6	-172.2	-63.2	0	0	110.8	F249 V541 D542 V547 I548 Q549	F249-M545 HydrophobicContact CD1-CG 3.83Å; F249-M545 HydrophobicContact CD2-CG 3.83Å; F249-M545 HydrophobicContact CD2-SD 4.17Å; F249-M545 HydrophobicContact CE1-CG 3.83Å; F249-M545 HydrophobicContact CE2-CG 3.86Å; F249-M545 HydrophobicContact CG-CG 3.84Å; F249-M545 HydrophobicContact CG-SD 4.22Å; F249-M545 HydrophobicContact CZ-CG 3.85Å; V541-M545 HydrophobicContact CG1-CE 4.29Å; V541-M545 WeakPolarHBondContact O-CG 3.24Å; V541-M545 PolarHBondContact O-N 2.97Å; D542-M545 HydrophobicContact CB-CE 4.45Å; D542-M545 PolarHBondContact O-N 3.36Å; M545-V547 PolarHBondContact O-N 3.49Å; M545-I548 PolarHBondContact O-N 3.13Å; M545-Q549 WeakPolarHBondContact O-CB 3.46Å; M545-Q549 VanDerWaalsContact O-CG 3.3Å; M545-Q549 WeakPolarHBondContact O-CG 3.13Å; M545-Q549 PolarHBondContact O-N 3.43Å
546	A	85	Confident	88	Confident	24 Å²	24	30.5 Å²	30.5	20%	0.198	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-44.5	-179	0	0	0	0	0	112.5	D542 I548 Q549 Y550	D542-A546 VanDerWaalsContact O-CB 3.25Å; D542-A546 WeakPolarHBondContact O-CB 3.45Å; D542-A546 PolarHBondContact O-N 3.22Å; A546-I548 VanDerWaalsContact C-N 3.31Å; A546-I548 PolarHBondContact O-N 3.42Å; A546-Q549 PolarHBondContact O-N 3.12Å; A546-Y550 HydrophobicContact CB-CD2 4.33Å; A546-Y550 HydrophobicContact CB-CE2 4.12Å; A546-Y550 WeakPolarHBondContact O-CD2 3.39Å; A546-Y550 PolarHBondContact O-N 3.39Å
547	V	86.7	Confident	88.3	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.036	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-38.6	179.8	166.3	0	0	0	0	111.7	F536 D543 M545 S551 L623 L639 F645	F536-V547 HydrophobicContact CE2-CG1 4.19Å; D543-V547 VanDerWaalsContact O-CB 3.27Å; D543-V547 WeakPolarHBondContact O-CB 3.5Å; D543-V547 WeakPolarHBondContact O-CG2 3.45Å; D543-V547 PolarHBondContact O-N 3.02Å; M545-V547 PolarHBondContact O-N 3.49Å; V547-S551 VanDerWaalsContact O-CB 3.29Å; V547-S551 WeakPolarHBondContact O-CB 3.34Å; V547-S551 PolarHBondContact O-N 2.86Å; V547-S551 PolarHBondContact O-OG 3.34Å; V547-L623 HydrophobicContact CG1-CD1 3.69Å; V547-L623 HydrophobicContact CG1-CG 3.81Å; V547-L623 WeakPolarHBondContact CG1-O 3.45Å; V547-L639 HydrophobicContact CG2-CD2 4.25Å; V547-F645 HydrophobicContact CG1-CE2 4.34Å; V547-F645 HydrophobicContact CG2-CD2 4.1Å; V547-F645 HydrophobicContact CG2-CE2 3.62Å
548	I	89.5	Confident	88.6	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-74.1	-46.8	175.2	-61.4	160.4	0	0	0	110.7	W245 F249 V526 V527 A530 F536 Q544 M545 A546 Y550 S551 W552 L623	W245-I548 HydrophobicContact CH2-CB 4.3Å; W245-I548 HydrophobicContact CH2-CG2 3.9Å; F249-I548 HydrophobicContact CE1-CD1 4.35Å; F249-I548 HydrophobicContact CZ-CD1 3.88Å; V526-I548 HydrophobicContact CG1-CG2 4.07Å; V527-I548 HydrophobicContact CG2-CD1 4.35Å; V527-I548 HydrophobicContact CG2-CG2 4.29Å; A530-I548 HydrophobicContact CB-CD1 3.72Å; A530-I548 HydrophobicContact CB-CG1 4.03Å; F536-I548 HydrophobicContact CE1-CD1 4.15Å; F536-I548 HydrophobicContact CZ-CD1 3.66Å; F536-I548 HydrophobicContact CZ-CG1 3.96Å; Q544-I548 WeakPolarHBondContact O-CD1 3.29Å; Q544-I548 WeakPolarHBondContact O-CG1 3.34Å; Q544-I548 PolarHBondContact O-N 3.38Å; M545-I548 PolarHBondContact O-N 3.13Å; A546-I548 VanDerWaalsContact C-N 3.31Å; A546-I548 PolarHBondContact O-N 3.42Å; I548-Y550 PolarHBondContact O-N 2.83Å; I548-S551 PolarHBondContact O-N 2.79Å; I548-S551 PolarHBondContact O-OG 2.6Å; I548-W552 PolarHBondContact O-N 3.02Å; I548-L623 HydrophobicContact CG1-CD1 4.06Å
549	Q	88.1	Confident	89	Confident	18 Å²	18	19.3 Å²	19.3	8%	0.084	11%	0.105	C	C	.	.	H	α-helix	trans	-61.9	-23.5	-177.8	-74.8	-177.6	-6.9	0	0	114.4	W245 M545 A546 W552 I716 Q720	W245-Q549 HydrophobicContact CD2-CG 4.48Å; W245-Q549 HydrophobicContact CE3-CG 4.24Å; W245-Q549 HydrophobicContact CH2-CG 3.46Å; W245-Q549 VanDerWaalsContact CH2-CG 3.46Å; W245-Q549 HydrophobicContact CZ2-CG 3.73Å; W245-Q549 HydrophobicContact CZ3-CG 3.72Å; M545-Q549 WeakPolarHBondContact O-CB 3.46Å; M545-Q549 VanDerWaalsContact O-CG 3.3Å; M545-Q549 WeakPolarHBondContact O-CG 3.13Å; M545-Q549 PolarHBondContact O-N 3.43Å; A546-Q549 PolarHBondContact O-N 3.12Å; Q549-W552 PolarHBondContact O-NE1 3.02Å; Q549-I716 HydrophobicContact CB-CG2 4.44Å; Q549-Q720 HydrophobicContact CB-CG 4.3Å
550	Y	86.1	Confident	89.5	Confident	39 Å²	39	19.2 Å²	19.2	15%	0.153	11%	0.105	C	C	.	.	H	α-helix	trans	-94.1	-19.6	172.6	-64.2	-55.2	0	0	0	114.3	A546 I548 I626 Q720 I724 V729	A546-Y550 HydrophobicContact CB-CD2 4.33Å; A546-Y550 HydrophobicContact CB-CE2 4.12Å; A546-Y550 WeakPolarHBondContact O-CD2 3.39Å; A546-Y550 PolarHBondContact O-N 3.39Å; I548-Y550 PolarHBondContact O-N 2.83Å; Y550-I626 WeakPolarHBondContact O-CD1 3.44Å; Y550-Q720 HydrophobicContact CD1-CB 4.43Å; Y550-Q720 HydrophobicContact CE1-CB 3.98Å; Y550-Q720 PolarHBondContact OH-OE1 2.67Å; Y550-I724 HydrophobicContact CD1-CD1 3.96Å; Y550-I724 HydrophobicContact CD1-CG1 3.77Å; Y550-I724 HydrophobicContact CE1-CG1 4.22Å; Y550-V729 HydrophobicContact CD1-CG1 4.46Å; Y550-V729 HydrophobicContact CD1-CG2 4.16Å; Y550-V729 HydrophobicContact CE1-CG2 3.74Å; Y550-V729 HydrophobicContact CE2-CG2 4.21Å; Y550-V729 HydrophobicContact CG-CG1 4.35Å
551	S	89.2	Confident	90.1	Very high	5 Å²	5	15.9 Å²	15.9	4%	0.035	9%	0.089	C	C	.	.	H	α-helix	trans	-106.3	-16.8	-172.5	63.7	0	0	0	0	115.8	V547 I548 M553 G554 L555 L623	V547-S551 VanDerWaalsContact O-CB 3.29Å; V547-S551 WeakPolarHBondContact O-CB 3.34Å; V547-S551 PolarHBondContact O-N 2.86Å; V547-S551 PolarHBondContact O-OG 3.34Å; I548-S551 PolarHBondContact O-N 2.79Å; I548-S551 PolarHBondContact O-OG 2.6Å; S551-M553 VanDerWaalsContact C-N 3.32Å; S551-M553 PolarHBondContact O-N 3.04Å; S551-M553 VanDerWaalsContact O-N 3.16Å; S551-G554 PolarHBondContact O-N 2.91Å; S551-L555 PolarHBondContact O-N 3.36Å; S551-L555 WeakPolarHBondContact OG-CD1 3.47Å; S551-L623 WeakPolarHBondContact OG-CD1 3.24Å
552	W	90.7	Very high	90.5	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-48.5	-46	-173.1	67.7	-80.8	0	0	0	114.3	L523 I548 Q549 G554 L555 M556 H692 M713 I717	L523-W552 HydrophobicContact CD2-CB 3.54Å; L523-W552 HydrophobicContact CD2-CD2 4.21Å; L523-W552 HydrophobicContact CD2-CE3 4.31Å; L523-W552 HydrophobicContact CD2-CG 3.92Å; I548-W552 PolarHBondContact O-N 3.02Å; Q549-W552 PolarHBondContact O-NE1 3.02Å; W552-G554 PolarHBondContact O-N 3.42Å; W552-L555 PolarHBondContact O-N 2.73Å; W552-M556 HydrophobicContact CE3-CE 3.69Å; W552-M556 HydrophobicContact CE3-SD 3.69Å; W552-M556 HydrophobicContact CZ3-CE 4.19Å; W552-M556 HydrophobicContact CZ3-SD 3.92Å; W552-M556 WeakPolarHBondContact O-CG 3.15Å; W552-M556 PolarHBondContact O-N 3.2Å; W552-H692 AromaticContact CE2-NE2 3.89Å; W552-H692 AromaticContact CZ2-CD2 3.98Å; W552-H692 AromaticContact NE1-NE2 3.66Å; W552-M713 HydrophobicContact CH2-CE 3.99Å; W552-M713 HydrophobicContact CZ3-CE 4.04Å; W552-I717 HydrophobicContact CH2-CD1 4.34Å; W552-I717 HydrophobicContact CH2-CG1 4.28Å; W552-I717 HydrophobicContact CZ2-CG1 4.06Å
553	M	92.8	Very high	91	Very high	13 Å²	13	13.3 Å²	13.3	6%	0.064	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-43	-179.8	-177.5	65.1	78.4	0	0	111.6	S551 M556 V557 A688 L691 H692 T695	S551-M553 VanDerWaalsContact C-N 3.32Å; S551-M553 PolarHBondContact O-N 3.04Å; S551-M553 VanDerWaalsContact O-N 3.16Å; M553-M556 PolarHBondContact O-N 3.36Å; M553-V557 WeakPolarHBondContact O-CB 3.39Å; M553-V557 WeakPolarHBondContact O-CG2 3.37Å; M553-V557 PolarHBondContact O-N 2.82Å; M553-V557 HydrophobicContact SD-CG2 4.4Å; M553-A688 HydrophobicContact CB-CB 4.31Å; M553-A688 HydrophobicContact CG-CB 3.87Å; M553-L691 HydrophobicContact CE-CB 3.92Å; M553-L691 HydrophobicContact CG-CB 4Å; M553-L691 HydrophobicContact SD-CB 3.6Å; M553-L691 VanDerWaalsContact SD-CB 3.6Å; M553-L691 HydrophobicContact SD-CD1 4.12Å; M553-L691 HydrophobicContact SD-CG 4.41Å; M553-H692 WeakPolarHBondContact CB-NE2 3.45Å; M553-T695 HydrophobicContact CE-CG2 3.91Å
554	G	92.8	Very high	91.3	Very high	6 Å²	6	13 Å²	13	6%	0.062	7%	0.066	C	C	.	.	H	α-helix	trans	-63.3	-44.3	175	0	0	0	0	0	111.8	S551 W552 V557 F558 L622	S551-G554 PolarHBondContact O-N 2.91Å; W552-G554 PolarHBondContact O-N 3.42Å; G554-V557 PolarHBondContact O-N 3.28Å; G554-F558 VanDerWaalsContact O-CB 3.24Å; G554-F558 WeakPolarHBondContact O-CB 3.32Å; G554-F558 PolarHBondContact O-N 3.17Å; G554-L622 WeakPolarHBondContact O-CD2 3.16Å
555	L	93.9	Very high	91.6	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-63.1	-43.1	177.8	-69.9	166.7	0	0	0	112.5	V526 W529 S551 W552 A559 K619 L622 L623	V526-L555 HydrophobicContact CG1-CD1 4.08Å; W529-L555 HydrophobicContact CH2-CD2 3.96Å; W529-L555 HydrophobicContact CZ3-CD1 4.11Å; W529-L555 HydrophobicContact CZ3-CD2 4.05Å; S551-L555 PolarHBondContact O-N 3.36Å; S551-L555 WeakPolarHBondContact OG-CD1 3.47Å; W552-L555 PolarHBondContact O-N 2.73Å; L555-A559 VanDerWaalsContact O-CB 3.25Å; L555-A559 WeakPolarHBondContact O-CB 3.44Å; L555-A559 PolarHBondContact O-N 3.2Å; L555-K619 HydrophobicContact CD2-CG 4.11Å; L555-K619 VanDerWaalsContact CD2-O 3.27Å; L555-K619 WeakPolarHBondContact CD2-O 3.43Å; L555-L622 HydrophobicContact CD2-CB 4.14Å; L555-L622 HydrophobicContact CD2-CD2 4.35Å; L555-L622 HydrophobicContact CD2-CG 4.33Å; L555-L623 HydrophobicContact CD1-CB 4.28Å; L555-L623 HydrophobicContact CD1-CD1 3.87Å; L555-L623 HydrophobicContact CD2-CB 4.32Å
556	M	93.9	Very high	91.7	Very high	23 Å²	23	17 Å²	17	11%	0.113	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-49.6	174.8	-75.4	-175.3	-174.1	0	0	111.5	G519 Q522 L523 W552 M553 F558 A559 M560	G519-M556 WeakPolarHBondContact O-CE 3.44Å; Q522-M556 HydrophobicContact CB-CE 4.01Å; L523-M556 HydrophobicContact CD1-CE 4.49Å; L523-M556 HydrophobicContact CD2-CE 4.14Å; L523-M556 HydrophobicContact CG-CE 3.68Å; W552-M556 HydrophobicContact CE3-CE 3.69Å; W552-M556 HydrophobicContact CE3-SD 3.69Å; W552-M556 HydrophobicContact CZ3-CE 4.19Å; W552-M556 HydrophobicContact CZ3-SD 3.92Å; W552-M556 WeakPolarHBondContact O-CG 3.15Å; W552-M556 PolarHBondContact O-N 3.2Å; M553-M556 PolarHBondContact O-N 3.36Å; M556-F558 PolarHBondContact O-N 2.92Å; M556-A559 PolarHBondContact O-N 3.35Å; M556-M560 WeakPolarHBondContact O-CB 3.45Å; M556-M560 PolarHBondContact O-N 3.22Å
557	V	95.4	Very high	91.5	Very high	4 Å²	4	20 Å²	20	2%	0.024	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-44.5	179.4	166.2	0	0	0	0	111.4	M553 G554 M560 G561 M598 L601 V684 I687 L691	M553-V557 WeakPolarHBondContact O-CB 3.39Å; M553-V557 WeakPolarHBondContact O-CG2 3.37Å; M553-V557 PolarHBondContact O-N 2.82Å; M553-V557 HydrophobicContact SD-CG2 4.4Å; G554-V557 PolarHBondContact O-N 3.28Å; V557-M560 PolarHBondContact O-N 3.43Å; V557-G561 PolarHBondContact O-N 3Å; V557-M598 HydrophobicContact CG1-CG 4.25Å; V557-M598 HydrophobicContact CG2-SD 4.06Å; V557-L601 HydrophobicContact CG1-CD2 3.52Å; V557-V684 HydrophobicContact CG1-CG1 4.39Å; V557-I687 HydrophobicContact CG1-CB 4.43Å; V557-I687 HydrophobicContact CG1-CG2 3.76Å; V557-L691 HydrophobicContact CG2-CD1 3.32Å
558	F	96.1	Very high	91.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-66.5	-44.9	179	-170.1	-105.6	0	0	0	111.9	G554 M556 G561 W562 F605 F615 M618 K619 L622 L680 L681 V684	G554-F558 VanDerWaalsContact O-CB 3.24Å; G554-F558 WeakPolarHBondContact O-CB 3.32Å; G554-F558 PolarHBondContact O-N 3.17Å; M556-F558 PolarHBondContact O-N 2.92Å; F558-G561 PolarHBondContact O-N 3.06Å; F558-W562 PolarHBondContact O-N 3.36Å; F558-F605 HydrophobicContact CD2-CE1 4.25Å; F558-F605 AromaticContact CD2-CZ 3.63Å; F558-F605 HydrophobicContact CD2-CZ 3.63Å; F558-F605 HydrophobicContact CE1-CE1 4.47Å; F558-F605 AromaticContact CE2-CE1 3.6Å; F558-F605 HydrophobicContact CE2-CE1 3.6Å; F558-F605 AromaticContact CE2-CZ 3.46Å; F558-F605 HydrophobicContact CE2-CZ 3.46Å; F558-F605 VanDerWaalsContact CE2-CZ 3.46Å; F558-F605 HydrophobicContact CG-CZ 4.24Å; F558-F605 AromaticContact CZ-CE1 3.72Å; F558-F605 HydrophobicContact CZ-CE1 3.72Å; F558-F605 AromaticContact CZ-CZ 3.93Å; F558-F605 HydrophobicContact CZ-CZ 3.93Å; F558-F615 HydrophobicContact CD1-CD2 4.02Å; F558-F615 AromaticContact CD1-CE2 3.53Å; F558-F615 HydrophobicContact CD1-CE2 3.53Å; F558-F615 HydrophobicContact CD1-CZ 4.44Å; F558-F615 AromaticContact CE1-CD2 3.37Å; F558-F615 HydrophobicContact CE1-CD2 3.37Å; F558-F615 AromaticContact CE1-CE2 3.4Å; F558-F615 HydrophobicContact CE1-CE2 3.4Å; F558-F615 HydrophobicContact CE1-CG 4.43Å; F558-F615 HydrophobicContact CE1-CZ 4.47Å; F558-F615 HydrophobicContact CG-CE2 4.48Å; F558-F615 AromaticContact CZ-CD2 3.92Å; F558-F615 HydrophobicContact CZ-CD2 3.92Å; F558-F615 HydrophobicContact CZ-CE2 4.27Å; F558-M618 HydrophobicContact CE1-CB 3.97Å; F558-M618 HydrophobicContact CE2-CE 4.14Å; F558-M618 HydrophobicContact CZ-CB 3.61Å; F558-M618 HydrophobicContact CZ-CE 3.94Å; F558-M618 HydrophobicContact CZ-SD 4.42Å; F558-K619 HydrophobicContact CD1-CB 4.01Å; F558-K619 HydrophobicContact CD1-CG 4.38Å; F558-K619 HydrophobicContact CE1-CB 3.92Å; F558-L622 HydrophobicContact CB-CD2 3.58Å; F558-L622 HydrophobicContact CD1-CD2 4.35Å; F558-L622 HydrophobicContact CD2-CD2 4.43Å; F558-L622 HydrophobicContact CG-CD2 3.89Å; F558-L680 HydrophobicContact CE2-CD2 4.42Å; F558-L681 HydrophobicContact CE2-CD2 4.13Å; F558-L681 HydrophobicContact CZ-CD2 4.28Å; F558-V684 HydrophobicContact CD2-CG2 3.82Å
559	A	95.1	Very high	90.7	Very high	11 Å²	11	26.8 Å²	26.8	9%	0.091	14%	0.138	C	C	.	.	H	α-helix	trans	-69	-34.2	176.7	0	0	0	0	0	112.9	L555 M556 W562 R563 F615	L555-A559 VanDerWaalsContact O-CB 3.25Å; L555-A559 WeakPolarHBondContact O-CB 3.44Å; L555-A559 PolarHBondContact O-N 3.2Å; M556-A559 PolarHBondContact O-N 3.35Å; A559-W562 PolarHBondContact O-N 3.03Å; A559-R563 WeakPolarHBondContact O-CG 3.26Å; A559-R563 PolarHBondContact O-N 3.06Å; A559-R563 PolarHBondContact O-NH1 2.67Å; A559-F615 HydrophobicContact CB-CZ 4.48Å
560	M	94.9	Very high	90.5	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.02	14%	0.136	C	C	.	.	H	α-helix	trans	-71.4	-39.8	175.6	-174.5	-81.3	-66.5	0	0	111.5	M556 V557 W562 R563 S564 L573 F575 M598	M556-M560 WeakPolarHBondContact O-CB 3.45Å; M556-M560 PolarHBondContact O-N 3.22Å; V557-M560 PolarHBondContact O-N 3.43Å; M560-W562 VanDerWaalsContact C-N 3.32Å; M560-W562 PolarHBondContact O-N 3Å; M560-R563 PolarHBondContact O-N 3Å; M560-S564 VanDerWaalsContact O-CB 3.28Å; M560-S564 WeakPolarHBondContact O-CB 3.41Å; M560-S564 PolarHBondContact O-N 3.42Å; M560-S564 PolarHBondContact O-OG 3.26Å; M560-S564 PolarHBondContact SD-OG 3.11Å; M560-L573 HydrophobicContact CE-CD1 4.49Å; M560-L573 HydrophobicContact CE-CD2 4.18Å; M560-L573 HydrophobicContact SD-CB 4.02Å; M560-L573 HydrophobicContact SD-CD2 4Å; M560-L573 HydrophobicContact SD-CG 4.49Å; M560-F575 HydrophobicContact CE-CD1 4.33Å; M560-F575 HydrophobicContact CE-CE1 3.73Å; M560-F575 HydrophobicContact CE-CZ 3.97Å; M560-F575 HydrophobicContact CG-CD1 3.72Å; M560-F575 HydrophobicContact CG-CE1 4.1Å; M560-F575 HydrophobicContact CG-CG 4.13Å; M560-F575 HydrophobicContact SD-CD1 4.32Å; M560-F575 HydrophobicContact SD-CE1 4.23Å; M560-F575 HydrophobicContact SD-CZ 4.43Å; M560-M598 HydrophobicContact CE-CB 3.82Å; M560-M598 HydrophobicContact CE-CE 4.26Å; M560-M598 HydrophobicContact CE-CG 4.05Å; M560-M598 HydrophobicContact CE-SD 3.37Å; M560-M598 WeakPolarHBondContact CE-SD 3.33Å
561	G	95.6	Very high	90.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-40.5	171.4	0	0	0	0	0	112.2	V557 F558 S564 F565 S602	V557-G561 PolarHBondContact O-N 3Å; F558-G561 PolarHBondContact O-N 3.06Å; G561-S564 PolarHBondContact O-N 2.74Å; G561-F565 WeakPolarHBondContact O-CB 3.33Å; G561-F565 PolarHBondContact O-N 3.5Å; G561-S602 PolarHBondContact O-OG 3.45Å
562	W	94.8	Very high	90	Very high	37 Å²	37	37.2 Å²	37.2	14%	0.14	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-47.7	173.1	-178.6	-104.1	0	0	0	112.8	F558 A559 M560 S564 F565 T566 F605 I610 P612 F615	F558-W562 PolarHBondContact O-N 3.36Å; A559-W562 PolarHBondContact O-N 3.03Å; M560-W562 VanDerWaalsContact C-N 3.32Å; M560-W562 PolarHBondContact O-N 3Å; W562-S564 VanDerWaalsContact C-N 3.26Å; W562-S564 PolarHBondContact O-N 2.9Å; W562-F565 HydrophobicContact CE3-CD1 4.02Å; W562-F565 HydrophobicContact CH2-CE1 4.39Å; W562-F565 AromaticContact CZ3-CD1 3.92Å; W562-F565 HydrophobicContact CZ3-CD1 3.92Å; W562-F565 HydrophobicContact CZ3-CE1 4.01Å; W562-F565 WeakPolarHBondContact O-CB 3.04Å; W562-F565 PolarHBondContact O-N 3.4Å; W562-T566 HydrophobicContact CD2-CG2 4.31Å; W562-T566 HydrophobicContact CZ2-CG2 4.1Å; W562-T566 PolarHBondContact O-N 2.96Å; W562-T566 PolarHBondContact O-OG1 3.36Å; W562-F605 HydrophobicContact CB-CZ 4.45Å; W562-F605 AromaticContact CE3-CD1 3.76Å; W562-F605 HydrophobicContact CE3-CD1 3.76Å; W562-F605 HydrophobicContact CE3-CE1 4.09Å; W562-F605 HydrophobicContact CE3-CG 4.26Å; W562-F605 HydrophobicContact CZ3-CD1 4.23Å; W562-I610 VanDerWaalsContact CH2-O 3.29Å; W562-I610 WeakPolarHBondContact CH2-O 3.38Å; W562-I610 HydrophobicContact CZ3-CB 4.2Å; W562-I610 HydrophobicContact CZ3-CG2 3.9Å; W562-I610 WeakPolarHBondContact CZ3-O 3.36Å; W562-P612 HydrophobicContact CH2-CG 4.34Å; W562-P612 HydrophobicContact CZ2-CB 4.19Å; W562-P612 HydrophobicContact CZ2-CG 4.06Å; W562-F615 HydrophobicContact CB-CD2 3.73Å; W562-F615 HydrophobicContact CB-CE1 4.43Å; W562-F615 HydrophobicContact CB-CE2 3.31Å; W562-F615 HydrophobicContact CB-CG 4.45Å; W562-F615 HydrophobicContact CB-CZ 3.71Å; W562-F615 AromaticContact CD1-CD1 3.89Å; W562-F615 AromaticContact CD1-CE1 3.65Å; W562-F615 AromaticContact CD1-CZ 3.75Å; W562-F615 HydrophobicContact CD2-CB 4.03Å; W562-F615 AromaticContact CD2-CD1 3.94Å; W562-F615 HydrophobicContact CD2-CD1 3.94Å; W562-F615 AromaticContact CD2-CD2 3.62Å; W562-F615 HydrophobicContact CD2-CD2 3.62Å; W562-F615 HydrophobicContact CD2-CE1 4.36Å; W562-F615 HydrophobicContact CD2-CE2 4.08Å; W562-F615 AromaticContact CD2-CG 3.55Å; W562-F615 HydrophobicContact CD2-CG 3.55Å; W562-F615 HydrophobicContact CD2-CZ 4.42Å; W562-F615 AromaticContact CE2-CD1 3.86Å; W562-F615 AromaticContact CE2-CG 3.84Å; W562-F615 HydrophobicContact CE3-CB 3.88Å; W562-F615 AromaticContact CE3-CD2 3.78Å; W562-F615 HydrophobicContact CE3-CD2 3.78Å; W562-F615 AromaticContact CE3-CG 3.82Å; W562-F615 HydrophobicContact CE3-CG 3.82Å; W562-F615 AromaticContact CG-CD1 3.98Å; W562-F615 HydrophobicContact CG-CD1 3.98Å; W562-F615 AromaticContact CG-CD2 3.61Å; W562-F615 HydrophobicContact CG-CD2 3.61Å; W562-F615 AromaticContact CG-CE1 3.9Å; W562-F615 HydrophobicContact CG-CE1 3.9Å; W562-F615 AromaticContact CG-CE2 3.53Å; W562-F615 HydrophobicContact CG-CE2 3.53Å; W562-F615 AromaticContact CG-CG 3.84Å; W562-F615 HydrophobicContact CG-CG 3.84Å; W562-F615 AromaticContact CG-CZ 3.68Å; W562-F615 HydrophobicContact CG-CZ 3.68Å; W562-F615 HydrophobicContact CH2-CB 4.06Å; W562-F615 HydrophobicContact CZ2-CB 4.19Å; W562-F615 HydrophobicContact CZ2-CD1 4.48Å; W562-F615 HydrophobicContact CZ2-CG 4.36Å; W562-F615 HydrophobicContact CZ3-CB 3.9Å; W562-F615 HydrophobicContact CZ3-CG 4.34Å; W562-F615 AromaticContact NE1-CD1 3.81Å; W562-F615 AromaticContact NE1-CE1 3.96Å
563	R	92.4	Very high	90.1	Very high	45 Å²	45	37.2 Å²	37.2	17%	0.17	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-36.2	173.6	-68.9	-171.3	-59.3	-91.5	17.6	112.7	A559 M560 T566 N567 Y574 F575	A559-R563 WeakPolarHBondContact O-CG 3.26Å; A559-R563 PolarHBondContact O-N 3.06Å; A559-R563 PolarHBondContact O-NH1 2.67Å; M560-R563 PolarHBondContact O-N 3Å; R563-T566 PolarHBondContact O-OG1 3.5Å; R563-N567 VanDerWaalsContact O-CB 3.23Å; R563-N567 WeakPolarHBondContact O-CB 3.3Å; R563-N567 PolarHBondContact O-N 3.13Å; R563-Y574 HydrophobicContact CB-CD1 3.83Å; R563-Y574 HydrophobicContact CB-CG 4.48Å; R563-Y574 PolarHBondContact NE-O 3.15Å; R563-F575 PolarHBondContact NE-O 2.95Å; R563-F575 PolarHBondContact NH2-O 2.85Å
564	S	92.3	Very high	90	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.1	-37.5	179.2	-60	0	0	0	0	111.9	M560 G561 W562 V568 N569 S570 Y574 S602	M560-S564 VanDerWaalsContact O-CB 3.28Å; M560-S564 WeakPolarHBondContact O-CB 3.41Å; M560-S564 PolarHBondContact O-N 3.42Å; M560-S564 PolarHBondContact O-OG 3.26Å; M560-S564 PolarHBondContact SD-OG 3.11Å; G561-S564 PolarHBondContact O-N 2.74Å; W562-S564 VanDerWaalsContact C-N 3.26Å; W562-S564 PolarHBondContact O-N 2.9Å; S564-V568 CarbonylContact O-C 3.39Å; S564-V568 WeakPolarHBondContact O-CG2 3.31Å; S564-V568 PolarHBondContact O-N 2.86Å; S564-N569 PolarHBondContact O-N 2.89Å; S564-S570 PolarHBondContact O-N 2.82Å; S564-Y574 PolarHBondContact OG-N 2.81Å; S564-S602 WeakPolarHBondContact CB-OG 3.44Å
565	F	92.4	Very high	90	Very high	49 Å²	49	39.2 Å²	39.2	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-64.7	-53.2	170.1	169.1	-124.8	0	0	0	111.5	G561 W562 N569 S570 S602 F605	G561-F565 WeakPolarHBondContact O-CB 3.33Å; G561-F565 PolarHBondContact O-N 3.5Å; W562-F565 HydrophobicContact CE3-CD1 4.02Å; W562-F565 HydrophobicContact CH2-CE1 4.39Å; W562-F565 AromaticContact CZ3-CD1 3.92Å; W562-F565 HydrophobicContact CZ3-CD1 3.92Å; W562-F565 HydrophobicContact CZ3-CE1 4.01Å; W562-F565 WeakPolarHBondContact O-CB 3.04Å; W562-F565 PolarHBondContact O-N 3.4Å; F565-N569 WeakPolarHBondContact O-CA 3.37Å; F565-N569 PolarHBondContact O-N 2.67Å; F565-S570 WeakPolarHBondContact CA-OG 3.26Å; F565-S602 PolarHBondContact N-OG 3.39Å; F565-S602 VanDerWaalsContact N-OG 3.15Å; F565-F605 HydrophobicContact CB-CB 4.09Å; F565-F605 HydrophobicContact CD1-CB 3.78Å; F565-F605 HydrophobicContact CD2-CB 4.49Å; F565-F605 HydrophobicContact CE1-CB 4.35Å; F565-F605 HydrophobicContact CG-CB 3.86Å
566	T	87.6	Confident	89.8	Confident	71 Å²	71	39.1 Å²	39.1	44%	0.436	19%	0.186	S	C	.	.	H	α-helix	trans	-69.7	-40.6	-174	57.1	0	0	0	0	113.6	W562 R563	W562-T566 HydrophobicContact CD2-CG2 4.31Å; W562-T566 HydrophobicContact CZ2-CG2 4.1Å; W562-T566 PolarHBondContact O-N 2.96Å; W562-T566 PolarHBondContact O-OG1 3.36Å; R563-T566 PolarHBondContact O-OG1 3.5Å
567	N	81.8	Confident	89.2	Confident	86 Å²	86	40.9 Å²	40.9	46%	0.46	20%	0.2	S	C	.	.	H	α-helix	trans	-98	-27.3	-168.5	-59.1	-7.2	0	0	0	114.1	R563 Y574	R563-N567 VanDerWaalsContact O-CB 3.23Å; R563-N567 WeakPolarHBondContact O-CB 3.3Å; R563-N567 PolarHBondContact O-N 3.13Å; N567-Y574 HydrophobicContact CB-CD2 3.86Å; N567-Y574 HydrophobicContact CB-CE2 3.93Å; N567-Y574 HydrophobicContact CB-CG 4.18Å; N567-Y574 WeakPolarHBondContact ND2-CE1 3.07Å; N567-Y574 VanDerWaalsContact ND2-CZ 3.3Å
568	V	80.8	Confident	88.6	Confident	38 Å²	38	42.3 Å²	42.3	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-134.1	19.5	-175.6	-63.2	0	0	0	0	113.3	S564 S570 R571 M572 Y574	S564-V568 CarbonylContact O-C 3.39Å; S564-V568 WeakPolarHBondContact O-CG2 3.31Å; S564-V568 PolarHBondContact O-N 2.86Å; V568-S570 PolarHBondContact O-N 2.98Å; V568-S570 VanDerWaalsContact O-N 3.09Å; V568-R571 PolarHBondContact O-N 3.43Å; V568-R571 VanDerWaalsContact O-N 3.1Å; V568-M572 HydrophobicContact CB-CB 4.34Å; V568-M572 HydrophobicContact CG2-CB 4.04Å; V568-M572 VanDerWaalsContact CG2-O 3.28Å; V568-M572 WeakPolarHBondContact CG2-O 3.34Å; V568-Y574 HydrophobicContact CG1-CD2 4Å
569	N	77.9	Confident	88.2	Confident	110 Å²	110	42.3 Å²	42.3	59%	0.588	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.3	40.9	175.1	-165.1	11.8	0	0	0	113.3	S564 F565 R571	S564-N569 PolarHBondContact O-N 2.89Å; F565-N569 WeakPolarHBondContact O-CA 3.37Å; F565-N569 PolarHBondContact O-N 2.67Å; N569-R571 PolarHBondContact O-N 3.29Å
570	S	84	Confident	87.9	Confident	6 Å²	6	43.3 Å²	43.3	4%	0.042	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	19.6	178.2	-51.9	0	0	0	0	115.8	S564 F565 V568 R599 S602 Q603	S564-S570 PolarHBondContact O-N 2.82Å; F565-S570 WeakPolarHBondContact CA-OG 3.26Å; V568-S570 PolarHBondContact O-N 2.98Å; V568-S570 VanDerWaalsContact O-N 3.09Å; S570-R599 VanDerWaalsContact O-CG 3.31Å; S570-R599 WeakPolarHBondContact O-CG 3.33Å; S570-S602 WeakPolarHBondContact CA-OG 3.19Å; S570-S602 VanDerWaalsContact CB-OG 3.26Å; S570-S602 WeakPolarHBondContact CB-OG 3.45Å; S570-S602 WeakPolarHBondContact OG-CB 3.38Å; S570-S602 PolarHBondContact OG-O 3.37Å; S570-S602 PolarHBondContact OG-OG 2.75Å; S570-Q603 PolarHBondContact O-NE2 2.95Å
571	R	77.5	Confident	87.8	Confident	195 Å²	195	43.1 Å²	43.1	74%	0.736	21%	0.211	S	C	*	.	S	Bend	trans	-85.4	-32.6	174.5	-64.7	-176.1	176.8	-171.3	-2.1	112.7	V568 N569 R599	V568-R571 PolarHBondContact O-N 3.43Å; V568-R571 VanDerWaalsContact O-N 3.1Å; N569-R571 PolarHBondContact O-N 3.29Å; R571-R599 PolarHBondContact O-NE 2.98Å
572	M	88.4	Confident	87.5	Confident	81 Å²	81	45.9 Å²	45.9	40%	0.399	23%	0.226	S	C	.	.	S	Bend	trans	-127.4	169.4	178.5	-62.3	-169.5	-171.6	0	0	109.5	V568 V580 F581 N582	V568-M572 HydrophobicContact CB-CB 4.34Å; V568-M572 HydrophobicContact CG2-CB 4.04Å; V568-M572 VanDerWaalsContact CG2-O 3.28Å; V568-M572 WeakPolarHBondContact CG2-O 3.34Å; M572-V580 HydrophobicContact CB-CG1 4.02Å; M572-V580 HydrophobicContact SD-CG1 4.2Å; M572-F581 WeakPolarHBondContact CB-O 3.47Å; M572-N582 HydrophobicContact CE-CB 4.12Å; M572-N582 HydrophobicContact CG-CB 4.46Å; M572-N582 HydrophobicContact SD-CB 3.87Å
573	L	91.5	Very high	87.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.2	172.5	-62	178.9	0	0	0	110.2	M560 F575 V580 F581 M586 C595 M598 R599	M560-L573 HydrophobicContact CE-CD1 4.49Å; M560-L573 HydrophobicContact CE-CD2 4.18Å; M560-L573 HydrophobicContact SD-CB 4.02Å; M560-L573 HydrophobicContact SD-CD2 4Å; M560-L573 HydrophobicContact SD-CG 4.49Å; L573-F575 HydrophobicContact CB-CD2 4.13Å; L573-F575 HydrophobicContact CB-CE2 3.65Å; L573-F575 HydrophobicContact CB-CZ 4.3Å; L573-F575 HydrophobicContact CD1-CE2 3.97Å; L573-F575 HydrophobicContact CD1-CZ 4Å; L573-F575 HydrophobicContact CG-CE2 4.49Å; L573-V580 WeakPolarHBondContact O-CA 3.43Å; L573-F581 HydrophobicContact CB-CB 4.08Å; L573-F581 PolarHBondContact N-O 2.71Å; L573-F581 PolarHBondContact O-N 3.18Å; L573-M586 HydrophobicContact CD1-SD 4.15Å; L573-M586 HydrophobicContact CG-SD 4.36Å; L573-C595 HydrophobicContact CD1-CB 3.6Å; L573-M598 HydrophobicContact CD1-CB 4.29Å; L573-M598 HydrophobicContact CD1-CE 4.22Å; L573-M598 HydrophobicContact CD2-CB 4.18Å; L573-R599 HydrophobicContact CD2-CB 4Å; L573-R599 HydrophobicContact CD2-CG 4.48Å
574	Y	91.3	Very high	87.1	Confident	39 Å²	39	52.2 Å²	52.2	15%	0.153	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	83.3	-179.5	-166.3	-81.6	0	0	0	109.8	R563 S564 N567 V568 P577 V580	R563-Y574 HydrophobicContact CB-CD1 3.83Å; R563-Y574 HydrophobicContact CB-CG 4.48Å; R563-Y574 PolarHBondContact NE-O 3.15Å; S564-Y574 PolarHBondContact OG-N 2.81Å; N567-Y574 HydrophobicContact CB-CD2 3.86Å; N567-Y574 HydrophobicContact CB-CE2 3.93Å; N567-Y574 HydrophobicContact CB-CG 4.18Å; N567-Y574 WeakPolarHBondContact ND2-CE1 3.07Å; N567-Y574 VanDerWaalsContact ND2-CZ 3.3Å; V568-Y574 HydrophobicContact CG1-CD2 4Å; Y574-P577 HydrophobicContact CE1-CG 4.44Å; Y574-P577 WeakPolarHBondContact OH-CA 3.25Å; Y574-P577 WeakPolarHBondContact OH-CB 3.32Å; Y574-P577 WeakPolarHBondContact OH-CG 3.15Å; Y574-V580 HydrophobicContact CD2-CG2 3.65Å; Y574-V580 HydrophobicContact CE2-CG2 3.99Å; Y574-V580 HydrophobicContact CG-CG2 4.37Å
575	F	91.5	Very high	87	Confident	22 Å²	22	53.6 Å²	53.6	10%	0.096	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-48.6	176.2	-66.8	-88.4	0	0	0	110.5	L515 L518 M560 R563 L573 L579 F581 M598	L515-F575 HydrophobicContact CD2-CB 4.03Å; L515-F575 HydrophobicContact CD2-CD1 3.51Å; L515-F575 HydrophobicContact CD2-CD2 4.03Å; L515-F575 HydrophobicContact CD2-CE1 3.88Å; L515-F575 HydrophobicContact CD2-CE2 4.36Å; L515-F575 HydrophobicContact CD2-CG 3.6Å; L515-F575 HydrophobicContact CD2-CZ 4.29Å; L518-F575 HydrophobicContact CD2-CB 3.75Å; M560-F575 HydrophobicContact CE-CD1 4.33Å; M560-F575 HydrophobicContact CE-CE1 3.73Å; M560-F575 HydrophobicContact CE-CZ 3.97Å; M560-F575 HydrophobicContact CG-CD1 3.72Å; M560-F575 HydrophobicContact CG-CE1 4.1Å; M560-F575 HydrophobicContact CG-CG 4.13Å; M560-F575 HydrophobicContact SD-CD1 4.32Å; M560-F575 HydrophobicContact SD-CE1 4.23Å; M560-F575 HydrophobicContact SD-CZ 4.43Å; R563-F575 PolarHBondContact NE-O 2.95Å; R563-F575 PolarHBondContact NH2-O 2.85Å; L573-F575 HydrophobicContact CB-CD2 4.13Å; L573-F575 HydrophobicContact CB-CE2 3.65Å; L573-F575 HydrophobicContact CB-CZ 4.3Å; L573-F575 HydrophobicContact CD1-CE2 3.97Å; L573-F575 HydrophobicContact CD1-CZ 4Å; L573-F575 HydrophobicContact CG-CE2 4.49Å; F575-L579 WeakPolarHBondContact CB-O 3.3Å; F575-L579 PolarHBondContact N-O 3.02Å; F575-F581 HydrophobicContact CD2-CB 4.23Å; F575-F581 HydrophobicContact CD2-CD1 4.08Å; F575-F581 HydrophobicContact CD2-CG 4.08Å; F575-F581 HydrophobicContact CE2-CB 3.9Å; F575-F581 HydrophobicContact CE2-CD1 4.16Å; F575-F581 AromaticContact CE2-CD2 3.84Å; F575-F581 HydrophobicContact CE2-CD2 3.84Å; F575-F581 HydrophobicContact CE2-CE2 4.36Å; F575-F581 AromaticContact CE2-CG 3.73Å; F575-F581 HydrophobicContact CE2-CG 3.73Å; F575-M598 HydrophobicContact CE1-CE 4.37Å; F575-M598 HydrophobicContact CZ-CE 3.95Å
576	A	90	Very high	87	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	168.1	174.9	0	0	0	0	0	110.6	V496 A498 L518 D578 L579	V496-A576 WeakPolarHBondContact O-CB 3.38Å; A498-A576 HydrophobicContact CB-CB 4.22Å; L518-A576 HydrophobicContact CD1-CB 3.91Å; L518-A576 HydrophobicContact CD2-CB 3.77Å; A576-D578 VanDerWaalsContact CB-OD1 3.25Å; A576-D578 WeakPolarHBondContact CB-OD1 3.4Å; A576-D578 PolarHBondContact O-N 2.97Å; A576-L579 HydrophobicContact CB-CB 4.14Å; A576-L579 PolarHBondContact N-O 3.39Å; A576-L579 CarbonylContact O-C 3.59Å; A576-L579 VanDerWaalsContact O-C 3.3Å; A576-L579 PolarHBondContact O-N 3.32Å; A576-L579 VanDerWaalsContact O-N 3.08Å
577	P	81.3	Confident	87.3	Confident	60 Å²	60	52.8 Å²	52.8	39%	0.39	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.5	179.5	-23	34.1	0	0	0	114.1	V495 Y574	V495-P577 HydrophobicContact CG1-CG 3.49Å; V495-P577 VanDerWaalsContact CG1-CG 3.49Å; Y574-P577 HydrophobicContact CE1-CG 4.44Å; Y574-P577 WeakPolarHBondContact OH-CA 3.25Å; Y574-P577 WeakPolarHBondContact OH-CB 3.32Å; Y574-P577 WeakPolarHBondContact OH-CG 3.15Å
578	D	83.3	Confident	87.8	Confident	34 Å²	34	51.9 Å²	51.9	18%	0.182	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-8.9	178.2	58.9	-34.9	0	0	0	113.3	C497 A498 G499 H500 N502 A576	C497-D578 WeakPolarHBondContact CA-OD1 3.46Å; A498-D578 WeakPolarHBondContact CA-OD2 3.11Å; A498-D578 VanDerWaalsContact N-CG 3.3Å; A498-D578 PolarHBondContact N-OD1 2.61Å; A498-D578 PolarHBondContact N-OD2 3.25Å; G499-D578 PolarHBondContact N-OD2 3.3Å; H500-D578 PolarHBondContact N-OD2 3.36Å; N502-D578 PolarHBondContact ND2-O 3.37Å; A576-D578 VanDerWaalsContact CB-OD1 3.25Å; A576-D578 WeakPolarHBondContact CB-OD1 3.4Å; A576-D578 PolarHBondContact O-N 2.97Å
579	L	88.2	Confident	88.3	Confident	0 Å²	0	50 Å²	50	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	78.8	-178.6	-166.2	63.5	0	0	0	110.9	A498 H500 L511 L515 L518 F575 A576 F581	A498-L579 HydrophobicContact CB-CB 3.66Å; A498-L579 HydrophobicContact CB-CD2 3.68Å; A498-L579 HydrophobicContact CB-CG 4.27Å; H500-L579 HydrophobicContact CB-CB 4.48Å; H500-L579 HydrophobicContact CB-CD1 4.05Å; L511-L579 HydrophobicContact CD2-CD1 4.38Å; L515-L579 HydrophobicContact CD2-CD2 3.68Å; L515-L579 HydrophobicContact CG-CD2 3.95Å; L518-L579 HydrophobicContact CD2-CD2 4.18Å; F575-L579 WeakPolarHBondContact CB-O 3.3Å; F575-L579 PolarHBondContact N-O 3.02Å; A576-L579 HydrophobicContact CB-CB 4.14Å; A576-L579 PolarHBondContact N-O 3.39Å; A576-L579 CarbonylContact O-C 3.59Å; A576-L579 VanDerWaalsContact O-C 3.3Å; A576-L579 PolarHBondContact O-N 3.32Å; A576-L579 VanDerWaalsContact O-N 3.08Å; L579-F581 HydrophobicContact CD1-CD1 4.41Å; L579-F581 HydrophobicContact CD1-CE1 3.86Å; L579-F581 HydrophobicContact CG-CD1 4.47Å; L579-F581 HydrophobicContact CG-CE1 4.11Å
580	V	89.6	Confident	88.9	Confident	33 Å²	33	53 Å²	53	20%	0.2	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.7	173.1	-175.5	0	0	0	0	109.6	M572 L573 Y574 R585	M572-V580 HydrophobicContact CB-CG1 4.02Å; M572-V580 HydrophobicContact SD-CG1 4.2Å; L573-V580 WeakPolarHBondContact O-CA 3.43Å; Y574-V580 HydrophobicContact CD2-CG2 3.65Å; Y574-V580 HydrophobicContact CE2-CG2 3.99Å; Y574-V580 HydrophobicContact CG-CG2 4.37Å; V580-R585 VanDerWaalsContact O-CD 3.27Å; V580-R585 WeakPolarHBondContact O-CD 3.24Å; V580-R585 PolarHBondContact O-NH1 2.83Å; V580-R585 VanDerWaalsContact O-NH1 3.14Å
581	F	91.4	Very high	89.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.7	-179.3	-91.5	39.4	0	0	0	110.7	L511 L515 M572 L573 F575 L579 R585 M586 S589	L511-F581 HydrophobicContact CB-CZ 4.16Å; L511-F581 HydrophobicContact CD2-CE1 3.91Å; L511-F581 HydrophobicContact CD2-CZ 4.25Å; L515-F581 HydrophobicContact CD1-CE1 4.37Å; L515-F581 HydrophobicContact CD1-CE2 3.98Å; L515-F581 HydrophobicContact CD1-CZ 3.57Å; L515-F581 HydrophobicContact CG-CZ 4.16Å; M572-F581 WeakPolarHBondContact CB-O 3.47Å; L573-F581 HydrophobicContact CB-CB 4.08Å; L573-F581 PolarHBondContact N-O 2.71Å; L573-F581 PolarHBondContact O-N 3.18Å; F575-F581 HydrophobicContact CD2-CB 4.23Å; F575-F581 HydrophobicContact CD2-CD1 4.08Å; F575-F581 HydrophobicContact CD2-CG 4.08Å; F575-F581 HydrophobicContact CE2-CB 3.9Å; F575-F581 HydrophobicContact CE2-CD1 4.16Å; F575-F581 AromaticContact CE2-CD2 3.84Å; F575-F581 HydrophobicContact CE2-CD2 3.84Å; F575-F581 HydrophobicContact CE2-CE2 4.36Å; F575-F581 AromaticContact CE2-CG 3.73Å; F575-F581 HydrophobicContact CE2-CG 3.73Å; L579-F581 HydrophobicContact CD1-CD1 4.41Å; L579-F581 HydrophobicContact CD1-CE1 3.86Å; L579-F581 HydrophobicContact CG-CD1 4.47Å; L579-F581 HydrophobicContact CG-CE1 4.11Å; F581-R585 HydrophobicContact CB-CB 4.27Å; F581-R585 HydrophobicContact CD1-CB 3.98Å; F581-R585 HydrophobicContact CD2-CB 4.22Å; F581-R585 HydrophobicContact CE1-CB 4.42Å; F581-R585 HydrophobicContact CG-CB 3.87Å; F581-M586 HydrophobicContact CB-CG 4.15Å; F581-M586 HydrophobicContact CD2-CG 4.08Å; F581-S589 WeakPolarHBondContact CE2-OG 3.39Å
582	N	88.8	Confident	90.1	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	22%	0.218	S	C	.	.			trans	-87.7	-179.9	165.3	60.5	17.1	0	0	0	110.7	M572 Y584 R585 M586	M572-N582 HydrophobicContact CE-CB 4.12Å; M572-N582 HydrophobicContact CG-CB 4.46Å; M572-N582 HydrophobicContact SD-CB 3.87Å; N582-Y584 PolarHBondContact O-N 3.08Å; N582-Y584 WeakPolarHBondContact OD1-CB 3.3Å; N582-Y584 PolarHBondContact OD1-N 2.87Å; N582-R585 PolarHBondContact O-N 3.39Å; N582-R585 PolarHBondContact OD1-N 3.45Å; N582-M586 WeakPolarHBondContact O-CG 3.39Å; N582-M586 PolarHBondContact O-N 3.49Å
583	E	89	Confident	90.4	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-48	-45.3	175	-78.4	-58.2	147.1	0	0	113.5	M586 H587 Y592 R599	E583-M586 PolarHBondContact O-N 3.27Å; E583-H587 PolarHBondContact O-N 3.3Å; E583-H587 VanDerWaalsContact O-N 3.08Å; E583-H587 PolarHBondContact O-ND1 3.45Å; E583-H587 IonicContact OE2-CE1 3.54Å; E583-H587 IonicContact OE2-ND1 3.97Å; E583-Y592 WeakPolarHBondContact OE2-CE2 3.47Å; E583-R599 IonicContact OE1-CZ 3.47Å; E583-R599 IonicContact OE1-NH1 2.67Å; E583-R599 PolarHBondContact OE1-NH1 2.98Å; E583-R599 IonicContact OE1-NH2 2.67Å; E583-R599 PolarHBondContact OE1-NH2 3.11Å
584	Y	90.6	Very high	90.5	Very high	134 Å²	134	48.8 Å²	48.8	53%	0.525	23%	0.226	S	C	.	.	H	α-helix	trans	-62.7	-50.4	-178.9	176.8	-100.5	0	0	0	112.1	N582 M586 H587 K588	N582-Y584 PolarHBondContact O-N 3.08Å; N582-Y584 WeakPolarHBondContact OD1-CB 3.3Å; N582-Y584 PolarHBondContact OD1-N 2.87Å; Y584-M586 VanDerWaalsContact C-N 3.32Å; Y584-M586 PolarHBondContact O-N 3.31Å; Y584-H587 PolarHBondContact O-N 3.23Å; Y584-K588 HydrophobicContact CD1-CD 4.48Å; Y584-K588 HydrophobicContact CE1-CD 3.69Å; Y584-K588 VanDerWaalsContact O-CB 3.32Å; Y584-K588 WeakPolarHBondContact O-CB 3.48Å; Y584-K588 PolarHBondContact O-N 2.97Å; Y584-K588 WeakPolarHBondContact OH-CE 3.42Å; Y584-K588 PolarHBondContact OH-NZ 3.1Å
585	R	89.8	Confident	90.7	Very high	28 Å²	28	46.9 Å²	46.9	11%	0.106	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-33.3	177.2	-76.8	178.1	168	178.8	-9.4	112.7	N502 D506 L511 V580 F581 N582 K588 S589	N502-R585 PolarHBondContact OD1-NH1 3.16Å; N502-R585 VanDerWaalsContact OD1-NH1 3.11Å; N502-R585 PolarHBondContact OD1-NH2 3.22Å; D506-R585 VanDerWaalsContact CG-NE 3.32Å; D506-R585 IonicContact OD1-CZ 3.9Å; D506-R585 VanDerWaalsContact OD1-CZ 3.31Å; D506-R585 IonicContact OD1-NE 3.84Å; D506-R585 PolarHBondContact OD1-NE 3.32Å; D506-R585 VanDerWaalsContact OD1-NE 3.09Å; D506-R585 IonicContact OD1-NH2 2.61Å; D506-R585 PolarHBondContact OD1-NH2 3Å; D506-R585 WeakPolarHBondContact OD2-CG 3.27Å; D506-R585 IonicContact OD2-CZ 2.72Å; D506-R585 IonicContact OD2-NE 3.54Å; D506-R585 PolarHBondContact OD2-NE 2.99Å; D506-R585 IonicContact OD2-NH2 2.97Å; L511-R585 HydrophobicContact CD1-CB 4.38Å; L511-R585 HydrophobicContact CD1-CG 4.25Å; L511-R585 HydrophobicContact CD2-CG 4.2Å; V580-R585 VanDerWaalsContact O-CD 3.27Å; V580-R585 WeakPolarHBondContact O-CD 3.24Å; V580-R585 PolarHBondContact O-NH1 2.83Å; V580-R585 VanDerWaalsContact O-NH1 3.14Å; F581-R585 HydrophobicContact CB-CB 4.27Å; F581-R585 HydrophobicContact CD1-CB 3.98Å; F581-R585 HydrophobicContact CD2-CB 4.22Å; F581-R585 HydrophobicContact CE1-CB 4.42Å; F581-R585 HydrophobicContact CG-CB 3.87Å; N582-R585 PolarHBondContact O-N 3.39Å; N582-R585 PolarHBondContact OD1-N 3.45Å; R585-K588 PolarHBondContact O-N 3.27Å; R585-S589 VanDerWaalsContact O-CB 3.31Å; R585-S589 WeakPolarHBondContact O-CB 3.48Å; R585-S589 PolarHBondContact O-N 3.32Å; R585-S589 PolarHBondContact O-OG 2.86Å
586	M	93.4	Very high	90.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.3	-38	174.4	-71	175.6	29.7	0	0	112.9	L573 F581 N582 E583 Y584 S589 Y592 C595 V596 R599	L573-M586 HydrophobicContact CD1-SD 4.15Å; L573-M586 HydrophobicContact CG-SD 4.36Å; F581-M586 HydrophobicContact CB-CG 4.15Å; F581-M586 HydrophobicContact CD2-CG 4.08Å; N582-M586 WeakPolarHBondContact O-CG 3.39Å; N582-M586 PolarHBondContact O-N 3.49Å; E583-M586 PolarHBondContact O-N 3.27Å; Y584-M586 VanDerWaalsContact C-N 3.32Å; Y584-M586 PolarHBondContact O-N 3.31Å; M586-S589 PolarHBondContact O-OG 3.42Å; M586-Y592 HydrophobicContact CB-CD2 3.97Å; M586-Y592 HydrophobicContact CE-CD2 3.82Å; M586-Y592 HydrophobicContact CE-CE2 3.75Å; M586-Y592 WeakPolarHBondContact O-CA 3.36Å; M586-Y592 PolarHBondContact O-N 3.18Å; M586-C595 HydrophobicContact CB-CB 4.1Å; M586-C595 HydrophobicContact CE-CB 3.62Å; M586-C595 HydrophobicContact CG-CB 3.59Å; M586-C595 HydrophobicContact SD-CB 3.75Å; M586-V596 HydrophobicContact CE-CG2 3.94Å; M586-R599 VanDerWaalsContact CE-NH2 3.3Å; M586-R599 PolarHBondContact SD-NH2 3.27Å
587	H	93.4	Very high	91.1	Very high	104 Å²	104	49.5 Å²	49.5	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-72.5	-44.2	172.1	-72.9	85	0	0	0	111.6	E583 Y584 S589 R590 Y592	E583-H587 PolarHBondContact O-N 3.3Å; E583-H587 VanDerWaalsContact O-N 3.08Å; E583-H587 PolarHBondContact O-ND1 3.45Å; E583-H587 IonicContact OE2-CE1 3.54Å; E583-H587 IonicContact OE2-ND1 3.97Å; Y584-H587 PolarHBondContact O-N 3.23Å; H587-S589 PolarHBondContact O-N 2.97Å; H587-R590 WeakPolarHBondContact O-CA 3.42Å; H587-R590 PolarHBondContact O-N 3.02Å; H587-Y592 AromaticContact CE1-CD2 3.41Å; H587-Y592 VanDerWaalsContact CE1-CD2 3.41Å; H587-Y592 WeakPolarHBondContact CE1-CD2 3.4Å; H587-Y592 AromaticContact CE1-CE2 3.18Å; H587-Y592 WeakPolarHBondContact CE1-CE2 3.47Å; H587-Y592 AromaticContact CE1-CZ 3.73Å; H587-Y592 AromaticContact ND1-CD2 3.6Å; H587-Y592 AromaticContact ND1-CE2 3.75Å; H587-Y592 AromaticContact NE2-CD2 3.75Å; H587-Y592 AromaticContact NE2-CE2 3.71Å; H587-Y592 AromaticContact NE2-CZ 3.93Å
588	K	92.9	Very high	91.8	Very high	66 Å²	66	46.9 Å²	46.9	29%	0.287	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-32.3	-173.9	-157.9	172.5	-162.6	-178.4	0	114	D506 L511 Y584 R585 R590	D506-K588 HydrophobicContact CB-CD 3.79Å; D506-K588 WeakPolarHBondContact O-CE 3.48Å; D506-K588 PolarHBondContact O-NZ 3.15Å; L511-K588 HydrophobicContact CD1-CB 4.14Å; L511-K588 HydrophobicContact CD1-CG 4.45Å; Y584-K588 HydrophobicContact CD1-CD 4.48Å; Y584-K588 HydrophobicContact CE1-CD 3.69Å; Y584-K588 VanDerWaalsContact O-CB 3.32Å; Y584-K588 WeakPolarHBondContact O-CB 3.48Å; Y584-K588 PolarHBondContact O-N 2.97Å; Y584-K588 WeakPolarHBondContact OH-CE 3.42Å; Y584-K588 PolarHBondContact OH-NZ 3.1Å; R585-K588 PolarHBondContact O-N 3.27Å; K588-R590 PolarHBondContact O-N 3.01Å
589	S	91.6	Very high	92.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-5.5	170.6	57.9	0	0	0	0	113.9	F508 F581 R585 M586 H587 M591	F508-S589 WeakPolarHBondContact CD2-O 3.3Å; F508-S589 VanDerWaalsContact CE2-O 3.28Å; F508-S589 WeakPolarHBondContact CE2-O 3.35Å; F581-S589 WeakPolarHBondContact CE2-OG 3.39Å; R585-S589 VanDerWaalsContact O-CB 3.31Å; R585-S589 WeakPolarHBondContact O-CB 3.48Å; R585-S589 PolarHBondContact O-N 3.32Å; R585-S589 PolarHBondContact O-OG 2.86Å; M586-S589 PolarHBondContact O-OG 3.42Å; H587-S589 PolarHBondContact O-N 2.97Å; S589-M591 PolarHBondContact O-N 2.89Å
590	R	90.6	Very high	92.6	Very high	173 Å²	173	51.6 Å²	51.6	65%	0.653	23%	0.233	S	C	*	.	S	Bend	trans	55.4	11.7	-172	-52.6	175.4	176.9	151.8	-8.7	114.9	F508 H587 K588 Y592	F508-R590 HydrophobicContact CD2-CB 4.12Å; F508-R590 HydrophobicContact CD2-CG 3.67Å; F508-R590 HydrophobicContact CE2-CB 3.83Å; F508-R590 HydrophobicContact CE2-CG 3.79Å; H587-R590 WeakPolarHBondContact O-CA 3.42Å; H587-R590 PolarHBondContact O-N 3.02Å; K588-R590 PolarHBondContact O-N 3.01Å; R590-Y592 VanDerWaalsContact C-N 3.27Å; R590-Y592 PolarHBondContact O-N 3.4Å
591	M	92.6	Very high	92.9	Very high	12 Å²	12	50.2 Å²	50.2	6%	0.059	22%	0.224	C	C	.	.			trans	-88.5	17.4	176.5	-69.6	-174.3	79.4	0	0	113.2	L512 L515 S589 S593 Q594 C595 L691 F694	L512-M591 HydrophobicContact CD2-CG 4.04Å; L512-M591 HydrophobicContact CD2-SD 3.47Å; L512-M591 WeakPolarHBondContact CD2-SD 3.3Å; L515-M591 HydrophobicContact CD1-SD 3.96Å; S589-M591 PolarHBondContact O-N 2.89Å; M591-S593 PolarHBondContact O-N 3.33Å; M591-Q594 PolarHBondContact O-N 2.95Å; M591-Q594 VanDerWaalsContact O-N 3.09Å; M591-Q594 PolarHBondContact O-OE1 3.11Å; M591-Q594 VanDerWaalsContact O-OE1 3.1Å; M591-C595 WeakPolarHBondContact O-CB 3.49Å; M591-C595 PolarHBondContact O-N 3.1Å; M591-C595 PolarHBondContact O-SG 3.21Å; M591-C595 VanDerWaalsContact O-SG 3.38Å; M591-L691 HydrophobicContact CE-CD2 3.55Å; M591-F694 HydrophobicContact CE-CD1 3.8Å; M591-F694 HydrophobicContact CE-CE1 3.79Å; M591-F694 HydrophobicContact CG-CD1 4.16Å; M591-F694 HydrophobicContact CG-CE1 3.42Å; M591-F694 VanDerWaalsContact CG-CE1 3.42Å; M591-F694 HydrophobicContact CG-CE2 3.96Å; M591-F694 HydrophobicContact CG-CZ 3.31Å; M591-F694 HydrophobicContact SD-CD1 4.31Å; M591-F694 HydrophobicContact SD-CE1 3.66Å; M591-F694 HydrophobicContact SD-CZ 4.16Å
592	Y	93.8	Very high	93.1	Very high	92 Å²	92	50.2 Å²	50.2	36%	0.361	22%	0.224	S	C	.	.	H	α-helix	trans	-54.7	-47.3	-164.6	-178.7	-106.4	0	0	0	113.8	E583 M586 H587 R590 Q594 C595 V596	E583-Y592 WeakPolarHBondContact OE2-CE2 3.47Å; M586-Y592 HydrophobicContact CB-CD2 3.97Å; M586-Y592 HydrophobicContact CE-CD2 3.82Å; M586-Y592 HydrophobicContact CE-CE2 3.75Å; M586-Y592 WeakPolarHBondContact O-CA 3.36Å; M586-Y592 PolarHBondContact O-N 3.18Å; H587-Y592 AromaticContact CE1-CD2 3.41Å; H587-Y592 VanDerWaalsContact CE1-CD2 3.41Å; H587-Y592 WeakPolarHBondContact CE1-CD2 3.4Å; H587-Y592 AromaticContact CE1-CE2 3.18Å; H587-Y592 WeakPolarHBondContact CE1-CE2 3.47Å; H587-Y592 AromaticContact CE1-CZ 3.73Å; H587-Y592 AromaticContact ND1-CD2 3.6Å; H587-Y592 AromaticContact ND1-CE2 3.75Å; H587-Y592 AromaticContact NE2-CD2 3.75Å; H587-Y592 AromaticContact NE2-CE2 3.71Å; H587-Y592 AromaticContact NE2-CZ 3.93Å; R590-Y592 VanDerWaalsContact C-N 3.27Å; R590-Y592 PolarHBondContact O-N 3.4Å; Y592-Q594 PolarHBondContact O-N 3.26Å; Y592-C595 PolarHBondContact O-N 3.34Å; Y592-V596 HydrophobicContact CD1-CG2 4.27Å; Y592-V596 HydrophobicContact CD2-CG2 4.25Å; Y592-V596 HydrophobicContact CE1-CG2 3.8Å; Y592-V596 HydrophobicContact CE2-CG2 3.74Å; Y592-V596 HydrophobicContact CG-CG2 4.48Å; Y592-V596 WeakPolarHBondContact O-CG2 3.49Å; Y592-V596 PolarHBondContact O-N 2.89Å
593	S	93.6	Very high	93.3	Very high	65 Å²	65	50.1 Å²	50.1	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-37	179.7	55.6	0	0	0	0	112.7	M591 R597	M591-S593 PolarHBondContact O-N 3.33Å; S593-R597 WeakPolarHBondContact O-CG 3.06Å; S593-R597 PolarHBondContact O-N 3.25Å
594	Q	94.5	Very high	93.5	Very high	23 Å²	23	49.4 Å²	49.4	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-43.6	173.8	-59.9	80.9	3.3	0	0	110.8	M591 Y592 R597 M598 L691	M591-Q594 PolarHBondContact O-N 2.95Å; M591-Q594 VanDerWaalsContact O-N 3.09Å; M591-Q594 PolarHBondContact O-OE1 3.11Å; M591-Q594 VanDerWaalsContact O-OE1 3.1Å; Y592-Q594 PolarHBondContact O-N 3.26Å; Q594-R597 PolarHBondContact O-N 3.04Å; Q594-M598 WeakPolarHBondContact O-CG 3.5Å; Q594-M598 PolarHBondContact O-N 2.67Å; Q594-L691 HydrophobicContact CB-CD2 3.73Å; Q594-L691 HydrophobicContact CB-CG 4.28Å; Q594-L691 HydrophobicContact CG-CD2 4.05Å; Q594-L691 HydrophobicContact CG-CG 4.43Å
595	C	95.4	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-39.4	177.8	-72.4	0	0	0	0	113.3	L573 M586 M591 Y592 M598 R599	L573-C595 HydrophobicContact CD1-CB 3.6Å; M586-C595 HydrophobicContact CB-CB 4.1Å; M586-C595 HydrophobicContact CE-CB 3.62Å; M586-C595 HydrophobicContact CG-CB 3.59Å; M586-C595 HydrophobicContact SD-CB 3.75Å; M591-C595 WeakPolarHBondContact O-CB 3.49Å; M591-C595 PolarHBondContact O-N 3.1Å; M591-C595 PolarHBondContact O-SG 3.21Å; M591-C595 VanDerWaalsContact O-SG 3.38Å; Y592-C595 PolarHBondContact O-N 3.34Å; C595-M598 HydrophobicContact CB-CE 4.39Å; C595-M598 PolarHBondContact O-N 3.48Å; C595-R599 PolarHBondContact O-N 2.78Å
596	V	94.4	Very high	93.7	Very high	31 Å²	31	42.9 Å²	42.9	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-47	173.7	166.2	0	0	0	0	110.9	M586 Y592 M598 R599 H600	M586-V596 HydrophobicContact CE-CG2 3.94Å; Y592-V596 HydrophobicContact CD1-CG2 4.27Å; Y592-V596 HydrophobicContact CD2-CG2 4.25Å; Y592-V596 HydrophobicContact CE1-CG2 3.8Å; Y592-V596 HydrophobicContact CE2-CG2 3.74Å; Y592-V596 HydrophobicContact CG-CG2 4.48Å; Y592-V596 WeakPolarHBondContact O-CG2 3.49Å; Y592-V596 PolarHBondContact O-N 2.89Å; V596-M598 PolarHBondContact O-N 3.07Å; V596-R599 WeakPolarHBondContact O-CB 3.42Å; V596-R599 PolarHBondContact O-N 3.35Å; V596-R599 VanDerWaalsContact O-N 3.09Å; V596-H600 VanDerWaalsContact CG1-CE1 3.49Å; V596-H600 WeakPolarHBondContact CG1-CE1 3.47Å; V596-H600 PolarHBondContact O-CD2 2.88Å; V596-H600 PolarHBondContact O-N 3.03Å
597	R	94.8	Very high	93.6	Very high	45 Å²	45	51.8 Å²	51.8	17%	0.17	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-38.5	177	-62.1	178.1	-48.9	122.3	23.4	112.5	S593 Q594 R599 H600 L601 P686 I687 E690	S593-R597 WeakPolarHBondContact O-CG 3.06Å; S593-R597 PolarHBondContact O-N 3.25Å; Q594-R597 PolarHBondContact O-N 3.04Å; R597-R599 VanDerWaalsContact C-N 3.31Å; R597-R599 PolarHBondContact O-N 3.09Å; R597-H600 PolarHBondContact O-N 3.38Å; R597-L601 PolarHBondContact O-N 3Å; R597-L601 VanDerWaalsContact O-N 3.07Å; R597-P686 PolarHBondContact NH1-O 3.37Å; R597-I687 HydrophobicContact CB-CG1 4.25Å; R597-I687 PolarHBondContact NH2-O 3.25Å; R597-E690 IonicContact CZ-OE1 3.26Å; R597-E690 IonicContact CZ-OE2 2.98Å; R597-E690 IonicContact NE-OE1 3.69Å; R597-E690 IonicContact NE-OE2 2.65Å; R597-E690 PolarHBondContact NE-OE2 2.96Å; R597-E690 VanDerWaalsContact NE-OE2 3.13Å; R597-E690 IonicContact NH1-OE1 2.77Å; R597-E690 PolarHBondContact NH1-OE1 3.49Å; R597-E690 IonicContact NH1-OE2 3.92Å; R597-E690 PolarHBondContact NH1-OE2 2.88Å; R597-E690 IonicContact NH2-OE2 3.87Å
598	M	95.5	Very high	93.5	Very high	5 Å²	5	48 Å²	48	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-33.9	171.8	-70.8	-172.1	-70.9	0	0	112.5	V557 M560 L573 F575 Q594 C595 V596 L601 S602 I687 L691	V557-M598 HydrophobicContact CG1-CG 4.25Å; V557-M598 HydrophobicContact CG2-SD 4.06Å; M560-M598 HydrophobicContact CE-CB 3.82Å; M560-M598 HydrophobicContact CE-CE 4.26Å; M560-M598 HydrophobicContact CE-CG 4.05Å; M560-M598 HydrophobicContact CE-SD 3.37Å; M560-M598 WeakPolarHBondContact CE-SD 3.33Å; L573-M598 HydrophobicContact CD1-CB 4.29Å; L573-M598 HydrophobicContact CD1-CE 4.22Å; L573-M598 HydrophobicContact CD2-CB 4.18Å; F575-M598 HydrophobicContact CE1-CE 4.37Å; F575-M598 HydrophobicContact CZ-CE 3.95Å; Q594-M598 WeakPolarHBondContact O-CG 3.5Å; Q594-M598 PolarHBondContact O-N 2.67Å; C595-M598 HydrophobicContact CB-CE 4.39Å; C595-M598 PolarHBondContact O-N 3.48Å; V596-M598 PolarHBondContact O-N 3.07Å; M598-L601 WeakPolarHBondContact O-CB 3.41Å; M598-L601 PolarHBondContact O-N 3.2Å; M598-S602 PolarHBondContact O-N 3.38Å; M598-I687 HydrophobicContact CG-CG2 3.74Å; M598-L691 HydrophobicContact CE-CD1 4.45Å; M598-L691 HydrophobicContact CE-CD2 4.16Å; M598-L691 HydrophobicContact CG-CD1 4.19Å; M598-L691 HydrophobicContact SD-CD1 3.67Å; M598-L691 HydrophobicContact SD-CD2 4.39Å
599	R	94.7	Very high	93.4	Very high	33 Å²	33	52.1 Å²	52.1	13%	0.125	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-38	174.5	-164.1	-166.9	-66	161.8	-5.5	111.6	S570 R571 L573 E583 M586 C595 V596 R597 L601 S602 Q603	S570-R599 VanDerWaalsContact O-CG 3.31Å; S570-R599 WeakPolarHBondContact O-CG 3.33Å; R571-R599 PolarHBondContact O-NE 2.98Å; L573-R599 HydrophobicContact CD2-CB 4Å; L573-R599 HydrophobicContact CD2-CG 4.48Å; E583-R599 IonicContact OE1-CZ 3.47Å; E583-R599 IonicContact OE1-NH1 2.67Å; E583-R599 PolarHBondContact OE1-NH1 2.98Å; E583-R599 IonicContact OE1-NH2 2.67Å; E583-R599 PolarHBondContact OE1-NH2 3.11Å; M586-R599 VanDerWaalsContact CE-NH2 3.3Å; M586-R599 PolarHBondContact SD-NH2 3.27Å; C595-R599 PolarHBondContact O-N 2.78Å; V596-R599 WeakPolarHBondContact O-CB 3.42Å; V596-R599 PolarHBondContact O-N 3.35Å; V596-R599 VanDerWaalsContact O-N 3.09Å; R597-R599 VanDerWaalsContact C-N 3.31Å; R597-R599 PolarHBondContact O-N 3.09Å; R599-L601 VanDerWaalsContact C-N 3.32Å; R599-L601 PolarHBondContact O-N 3.13Å; R599-S602 CarbonylContact O-C 3.58Å; R599-S602 WeakPolarHBondContact O-CA 3.46Å; R599-S602 WeakPolarHBondContact O-CB 3.21Å; R599-S602 PolarHBondContact O-N 2.68Å; R599-S602 VanDerWaalsContact O-N 3.08Å; R599-Q603 WeakPolarHBondContact O-CG 3.25Å; R599-Q603 PolarHBondContact O-N 2.73Å
600	H	94.6	Very high	93.4	Very high	101 Å²	101	52.4 Å²	52.4	47%	0.468	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-42.5	172.4	-61.9	167.1	0	0	0	111.3	V596 R597 S602 Q603 E604	V596-H600 VanDerWaalsContact CG1-CE1 3.49Å; V596-H600 WeakPolarHBondContact CG1-CE1 3.47Å; V596-H600 PolarHBondContact O-CD2 2.88Å; V596-H600 PolarHBondContact O-N 3.03Å; R597-H600 PolarHBondContact O-N 3.38Å; H600-S602 VanDerWaalsContact C-N 3.31Å; H600-S602 PolarHBondContact O-N 2.97Å; H600-Q603 WeakPolarHBondContact O-CB 3.38Å; H600-Q603 PolarHBondContact O-N 2.93Å; H600-E604 WeakPolarHBondContact O-CG 3.41Å; H600-E604 PolarHBondContact O-N 3.25Å
601	L	95.2	Very high	93.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-42.1	171.1	-178.8	71.3	0	0	0	112.1	V557 R597 M598 R599 Q603 E604 F605 L680 V684 I687	V557-L601 HydrophobicContact CG1-CD2 3.52Å; R597-L601 PolarHBondContact O-N 3Å; R597-L601 VanDerWaalsContact O-N 3.07Å; M598-L601 WeakPolarHBondContact O-CB 3.41Å; M598-L601 PolarHBondContact O-N 3.2Å; R599-L601 VanDerWaalsContact C-N 3.32Å; R599-L601 PolarHBondContact O-N 3.13Å; L601-Q603 VanDerWaalsContact C-N 3.3Å; L601-Q603 PolarHBondContact O-N 2.87Å; L601-E604 PolarHBondContact O-N 3.47Å; L601-F605 HydrophobicContact CG-CE2 4.05Å; L601-F605 WeakPolarHBondContact O-CD2 3.49Å; L601-F605 PolarHBondContact O-N 2.95Å; L601-L680 HydrophobicContact CD1-CD1 3.7Å; L601-L680 HydrophobicContact CD1-CG 4.06Å; L601-V684 HydrophobicContact CD1-CG2 3.81Å; L601-V684 HydrophobicContact CD2-CG2 3.99Å; L601-I687 HydrophobicContact CB-CD1 3.9Å; L601-I687 HydrophobicContact CD2-CD1 4.33Å
602	S	95	Very high	93.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-41.1	172.5	-163.5	0	0	0	0	112.1	G561 S564 F565 S570 M598 R599 H600	G561-S602 PolarHBondContact O-OG 3.45Å; S564-S602 WeakPolarHBondContact CB-OG 3.44Å; F565-S602 PolarHBondContact N-OG 3.39Å; F565-S602 VanDerWaalsContact N-OG 3.15Å; S570-S602 WeakPolarHBondContact CA-OG 3.19Å; S570-S602 VanDerWaalsContact CB-OG 3.26Å; S570-S602 WeakPolarHBondContact CB-OG 3.45Å; S570-S602 WeakPolarHBondContact OG-CB 3.38Å; S570-S602 PolarHBondContact OG-O 3.37Å; S570-S602 PolarHBondContact OG-OG 2.75Å; M598-S602 PolarHBondContact O-N 3.38Å; R599-S602 CarbonylContact O-C 3.58Å; R599-S602 WeakPolarHBondContact O-CA 3.46Å; R599-S602 WeakPolarHBondContact O-CB 3.21Å; R599-S602 PolarHBondContact O-N 2.68Å; R599-S602 VanDerWaalsContact O-N 3.08Å; H600-S602 VanDerWaalsContact C-N 3.31Å; H600-S602 PolarHBondContact O-N 2.97Å
603	Q	93.6	Very high	93.2	Very high	55 Å²	55	46.3 Å²	46.3	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-71	-38.3	-178.3	-69.2	165.7	-8.3	0	0	112	S570 R599 H600 L601 F605 G606 W607	S570-Q603 PolarHBondContact O-NE2 2.95Å; R599-Q603 WeakPolarHBondContact O-CG 3.25Å; R599-Q603 PolarHBondContact O-N 2.73Å; H600-Q603 WeakPolarHBondContact O-CB 3.38Å; H600-Q603 PolarHBondContact O-N 2.93Å; L601-Q603 VanDerWaalsContact C-N 3.3Å; L601-Q603 PolarHBondContact O-N 2.87Å; Q603-F605 VanDerWaalsContact C-N 3.32Å; Q603-F605 PolarHBondContact O-N 3.32Å; Q603-G606 PolarHBondContact O-N 3.5Å; Q603-W607 HydrophobicContact CB-CZ2 4.39Å; Q603-W607 PolarHBondContact O-N 3.39Å
604	E	94.4	Very high	93.1	Very high	67 Å²	67	43.5 Å²	43.5	31%	0.313	21%	0.21	S	C	.	.	H	α-helix	trans	-57.4	-38.2	174.5	-73.5	-71.2	140.6	0	0	112.9	H600 L601 G606 W607 L608 L680	H600-E604 WeakPolarHBondContact O-CG 3.41Å; H600-E604 PolarHBondContact O-N 3.25Å; L601-E604 PolarHBondContact O-N 3.47Å; E604-G606 PolarHBondContact O-N 2.8Å; E604-W607 PolarHBondContact O-N 3.43Å; E604-W607 WeakPolarHBondContact OE1-CZ3 3.37Å; E604-L608 WeakPolarHBondContact O-CB 3.19Å; E604-L608 WeakPolarHBondContact O-CG 3.44Å; E604-L608 PolarHBondContact O-N 2.87Å; E604-L680 HydrophobicContact CB-CD1 3.53Å; E604-L680 HydrophobicContact CG-CD1 4.01Å
605	F	93.8	Very high	93.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.5	-37.7	174.2	-71.1	-76.2	0	0	0	112.6	F558 W562 F565 L601 Q603 Q609 I610 F615 L680	F558-F605 HydrophobicContact CD2-CE1 4.25Å; F558-F605 AromaticContact CD2-CZ 3.63Å; F558-F605 HydrophobicContact CD2-CZ 3.63Å; F558-F605 HydrophobicContact CE1-CE1 4.47Å; F558-F605 AromaticContact CE2-CE1 3.6Å; F558-F605 HydrophobicContact CE2-CE1 3.6Å; F558-F605 AromaticContact CE2-CZ 3.46Å; F558-F605 HydrophobicContact CE2-CZ 3.46Å; F558-F605 VanDerWaalsContact CE2-CZ 3.46Å; F558-F605 HydrophobicContact CG-CZ 4.24Å; F558-F605 AromaticContact CZ-CE1 3.72Å; F558-F605 HydrophobicContact CZ-CE1 3.72Å; F558-F605 AromaticContact CZ-CZ 3.93Å; F558-F605 HydrophobicContact CZ-CZ 3.93Å; W562-F605 HydrophobicContact CB-CZ 4.45Å; W562-F605 AromaticContact CE3-CD1 3.76Å; W562-F605 HydrophobicContact CE3-CD1 3.76Å; W562-F605 HydrophobicContact CE3-CE1 4.09Å; W562-F605 HydrophobicContact CE3-CG 4.26Å; W562-F605 HydrophobicContact CZ3-CD1 4.23Å; F565-F605 HydrophobicContact CB-CB 4.09Å; F565-F605 HydrophobicContact CD1-CB 3.78Å; F565-F605 HydrophobicContact CD2-CB 4.49Å; F565-F605 HydrophobicContact CE1-CB 4.35Å; F565-F605 HydrophobicContact CG-CB 3.86Å; L601-F605 HydrophobicContact CG-CE2 4.05Å; L601-F605 WeakPolarHBondContact O-CD2 3.49Å; L601-F605 PolarHBondContact O-N 2.95Å; Q603-F605 VanDerWaalsContact C-N 3.32Å; Q603-F605 PolarHBondContact O-N 3.32Å; F605-Q609 WeakPolarHBondContact O-CA 3.36Å; F605-Q609 PolarHBondContact O-N 3.13Å; F605-Q609 VanDerWaalsContact O-N 3.09Å; F605-I610 HydrophobicContact CD1-CB 4.04Å; F605-I610 HydrophobicContact CD1-CD1 3.74Å; F605-I610 HydrophobicContact CD1-CG1 4.37Å; F605-I610 HydrophobicContact CD1-CG2 4.14Å; F605-I610 HydrophobicContact CE1-CD1 4.3Å; F605-I610 PolarHBondContact O-N 3.11Å; F605-F615 HydrophobicContact CE1-CD2 4.12Å; F605-L680 HydrophobicContact CD1-CD2 4.14Å; F605-L680 HydrophobicContact CE1-CD2 4.05Å; F605-L680 HydrophobicContact CZ-CD2 4.46Å
606	G	89.3	Confident	93.1	Very high	25 Å²	25	43.5 Å²	43.5	26%	0.258	21%	0.21	S	C	.	.	H	α-helix	trans	-75.8	-45.9	177.9	0	0	0	0	0	112.9	Q603 E604 L608 Q609	Q603-G606 PolarHBondContact O-N 3.5Å; E604-G606 PolarHBondContact O-N 2.8Å; G606-L608 VanDerWaalsContact C-N 3.34Å; G606-L608 PolarHBondContact O-N 3.36Å; G606-Q609 WeakPolarHBondContact O-CG 3.25Å; G606-Q609 PolarHBondContact O-N 3.32Å; G606-Q609 VanDerWaalsContact O-N 3.08Å
607	W	91.5	Very high	92.9	Very high	187 Å²	187	42 Å²	42	71%	0.708	20%	0.201	S	C	*	.	H	α-helix	trans	-64.3	-37.5	177.2	-65.4	-17.5	0	0	0	112.8	Q603 E604 Q609	Q603-W607 HydrophobicContact CB-CZ2 4.39Å; Q603-W607 PolarHBondContact O-N 3.39Å; E604-W607 PolarHBondContact O-N 3.43Å; E604-W607 WeakPolarHBondContact OE1-CZ3 3.37Å; W607-Q609 VanDerWaalsContact C-N 3.31Å
608	L	91.1	Very high	92.9	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.136	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.9	174	-63.8	175.6	0	0	0	112.8	E604 G606 I610 R673 Q676 L680	E604-L608 WeakPolarHBondContact O-CB 3.19Å; E604-L608 WeakPolarHBondContact O-CG 3.44Å; E604-L608 PolarHBondContact O-N 2.87Å; G606-L608 VanDerWaalsContact C-N 3.34Å; G606-L608 PolarHBondContact O-N 3.36Å; L608-I610 HydrophobicContact CB-CD1 4.2Å; L608-I610 HydrophobicContact CB-CG1 3.89Å; L608-I610 HydrophobicContact CD1-CD1 4.28Å; L608-I610 PolarHBondContact O-N 2.81Å; L608-R673 PolarHBondContact O-NH1 3.4Å; L608-R673 PolarHBondContact O-NH2 3.29Å; L608-Q676 HydrophobicContact CD2-CB 4.19Å; L608-Q676 HydrophobicContact CD2-CG 4.31Å; L608-L680 HydrophobicContact CD1-CB 4.45Å; L608-L680 HydrophobicContact CD1-CD1 4.48Å; L608-L680 HydrophobicContact CD1-CD2 4.32Å
609	Q	90.7	Very high	92.8	Very high	152 Å²	152	40 Å²	40	71%	0.71	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.1	60	-175.2	-60.3	-177.9	3.1	0	0	111.5	F605 G606 W607 T611 R673	F605-Q609 WeakPolarHBondContact O-CA 3.36Å; F605-Q609 PolarHBondContact O-N 3.13Å; F605-Q609 VanDerWaalsContact O-N 3.09Å; G606-Q609 WeakPolarHBondContact O-CG 3.25Å; G606-Q609 PolarHBondContact O-N 3.32Å; G606-Q609 VanDerWaalsContact O-N 3.08Å; W607-Q609 VanDerWaalsContact C-N 3.31Å; Q609-T611 PolarHBondContact O-N 3.01Å; Q609-R673 PolarHBondContact O-NH2 3.02Å
610	I	92.4	Very high	92.7	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.031	19%	0.188	C	C	.	.			trans	-74.4	127	-178.6	-68.1	-177	0	0	0	109.3	W562 F605 L608 E614 F615 M618 L677 L680	W562-I610 VanDerWaalsContact CH2-O 3.29Å; W562-I610 WeakPolarHBondContact CH2-O 3.38Å; W562-I610 HydrophobicContact CZ3-CB 4.2Å; W562-I610 HydrophobicContact CZ3-CG2 3.9Å; W562-I610 WeakPolarHBondContact CZ3-O 3.36Å; F605-I610 HydrophobicContact CD1-CB 4.04Å; F605-I610 HydrophobicContact CD1-CD1 3.74Å; F605-I610 HydrophobicContact CD1-CG1 4.37Å; F605-I610 HydrophobicContact CD1-CG2 4.14Å; F605-I610 HydrophobicContact CE1-CD1 4.3Å; F605-I610 PolarHBondContact O-N 3.11Å; L608-I610 HydrophobicContact CB-CD1 4.2Å; L608-I610 HydrophobicContact CB-CG1 3.89Å; L608-I610 HydrophobicContact CD1-CD1 4.28Å; L608-I610 PolarHBondContact O-N 2.81Å; I610-E614 HydrophobicContact CG2-CB 4.14Å; I610-F615 HydrophobicContact CG2-CB 4.15Å; I610-M618 HydrophobicContact CD1-CE 4.18Å; I610-M618 HydrophobicContact CD1-SD 4.28Å; I610-M618 HydrophobicContact CG2-SD 4.38Å; I610-L677 HydrophobicContact CD1-CD2 3.66Å; I610-L677 HydrophobicContact CG1-CD2 3.74Å; I610-L680 HydrophobicContact CD1-CD2 3.31Å
611	T	91.3	Very high	92.5	Very high	39 Å²	39	33.6 Å²	33.6	24%	0.239	17%	0.165	C	C	.	.			trans	-88.3	154.6	-179.1	62.9	0	0	0	0	111.2	Q609 Q613 E614 F615 K663	Q609-T611 PolarHBondContact O-N 3.01Å; T611-Q613 PolarHBondContact O-N 3.48Å; T611-Q613 VanDerWaalsContact O-N 3.13Å; T611-E614 WeakPolarHBondContact CB-OE2 3.46Å; T611-E614 PolarHBondContact N-OE2 2.87Å; T611-E614 WeakPolarHBondContact O-CB 3.48Å; T611-E614 PolarHBondContact O-N 2.79Å; T611-E614 VanDerWaalsContact OG1-CD 3.26Å; T611-E614 WeakPolarHBondContact OG1-CG 3.29Å; T611-E614 PolarHBondContact OG1-OE2 3.46Å; T611-F615 PolarHBondContact O-N 3.46Å; T611-K663 VanDerWaalsContact CB-NZ 3.32Å; T611-K663 PolarHBondContact OG1-NZ 2.98Å
612	P	90.8	Very high	92.3	Very high	65 Å²	65	33.6 Å²	33.6	42%	0.422	17%	0.166	S	C	.	.	H	α-helix	trans	-54.8	-36.8	-176.6	-26.2	33.9	0	0	0	113.4	W562 E614 F615 L616	W562-P612 HydrophobicContact CH2-CG 4.34Å; W562-P612 HydrophobicContact CZ2-CB 4.19Å; W562-P612 HydrophobicContact CZ2-CG 4.06Å; P612-E614 PolarHBondContact O-N 3.09Å; P612-F615 PolarHBondContact O-N 2.89Å; P612-L616 WeakPolarHBondContact O-CG 3.39Å; P612-L616 PolarHBondContact O-N 2.88Å
613	Q	90.6	Very high	92	Very high	45 Å²	45	33.6 Å²	33.6	21%	0.21	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-40	177.4	-61.4	84.1	18.4	0	0	112.6	L485 T611 C617 I659	L485-Q613 HydrophobicContact CD1-CB 3.59Å; L485-Q613 HydrophobicContact CD1-CG 3.48Å; L485-Q613 VanDerWaalsContact CD1-CG 3.48Å; L485-Q613 HydrophobicContact CD2-CB 4.22Å; T611-Q613 PolarHBondContact O-N 3.48Å; T611-Q613 VanDerWaalsContact O-N 3.13Å; Q613-C617 PolarHBondContact O-N 3.48Å; Q613-I659 HydrophobicContact CB-CG2 4.09Å
614	E	92.6	Very high	91.5	Very high	6 Å²	6	31 Å²	31	3%	0.028	15%	0.153	C	C	.	.	H	α-helix	trans	-70.1	-45.5	175.4	-67.6	165	130.5	0	0	110.2	I610 T611 P612 L616 C617 M618 I659 R673 L677	I610-E614 HydrophobicContact CG2-CB 4.14Å; T611-E614 WeakPolarHBondContact CB-OE2 3.46Å; T611-E614 PolarHBondContact N-OE2 2.87Å; T611-E614 WeakPolarHBondContact O-CB 3.48Å; T611-E614 PolarHBondContact O-N 2.79Å; T611-E614 VanDerWaalsContact OG1-CD 3.26Å; T611-E614 WeakPolarHBondContact OG1-CG 3.29Å; T611-E614 PolarHBondContact OG1-OE2 3.46Å; P612-E614 PolarHBondContact O-N 3.09Å; E614-L616 PolarHBondContact O-N 2.9Å; E614-C617 PolarHBondContact O-N 2.96Å; E614-M618 HydrophobicContact CB-SD 4.48Å; E614-M618 VanDerWaalsContact O-CB 3.3Å; E614-M618 WeakPolarHBondContact O-CB 3.22Å; E614-M618 WeakPolarHBondContact O-CG 3.4Å; E614-M618 PolarHBondContact O-N 3.48Å; E614-I659 HydrophobicContact CG-CG2 3.89Å; E614-R673 VanDerWaalsContact CD-NH2 3.27Å; E614-R673 IonicContact OE1-CZ 2.7Å; E614-R673 VanDerWaalsContact OE1-CZ 3.29Å; E614-R673 IonicContact OE1-NE 2.7Å; E614-R673 PolarHBondContact OE1-NE 3.4Å; E614-R673 IonicContact OE1-NH2 3.99Å; E614-R673 PolarHBondContact OE1-NH2 2.71Å; E614-R673 IonicContact OE2-CZ 2.69Å; E614-R673 IonicContact OE2-NE 3.17Å; E614-R673 IonicContact OE2-NH2 3.09Å; E614-R673 PolarHBondContact OE2-NH2 3.05Å; E614-L677 HydrophobicContact CB-CD1 4.01Å; E614-L677 HydrophobicContact CG-CD1 3.96Å
615	F	94.8	Very high	90.4	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.022	14%	0.138	C	C	.	.	H	α-helix	trans	-55.1	-49.4	176.7	166.5	-100.2	0	0	0	112.6	F558 A559 W562 F605 I610 T611 P612 C617 M618 K619	F558-F615 HydrophobicContact CD1-CD2 4.02Å; F558-F615 AromaticContact CD1-CE2 3.53Å; F558-F615 HydrophobicContact CD1-CE2 3.53Å; F558-F615 HydrophobicContact CD1-CZ 4.44Å; F558-F615 AromaticContact CE1-CD2 3.37Å; F558-F615 HydrophobicContact CE1-CD2 3.37Å; F558-F615 AromaticContact CE1-CE2 3.4Å; F558-F615 HydrophobicContact CE1-CE2 3.4Å; F558-F615 HydrophobicContact CE1-CG 4.43Å; F558-F615 HydrophobicContact CE1-CZ 4.47Å; F558-F615 HydrophobicContact CG-CE2 4.48Å; F558-F615 AromaticContact CZ-CD2 3.92Å; F558-F615 HydrophobicContact CZ-CD2 3.92Å; F558-F615 HydrophobicContact CZ-CE2 4.27Å; A559-F615 HydrophobicContact CB-CZ 4.48Å; W562-F615 HydrophobicContact CB-CD2 3.73Å; W562-F615 HydrophobicContact CB-CE1 4.43Å; W562-F615 HydrophobicContact CB-CE2 3.31Å; W562-F615 HydrophobicContact CB-CG 4.45Å; W562-F615 HydrophobicContact CB-CZ 3.71Å; W562-F615 AromaticContact CD1-CD1 3.89Å; W562-F615 AromaticContact CD1-CE1 3.65Å; W562-F615 AromaticContact CD1-CZ 3.75Å; W562-F615 HydrophobicContact CD2-CB 4.03Å; W562-F615 AromaticContact CD2-CD1 3.94Å; W562-F615 HydrophobicContact CD2-CD1 3.94Å; W562-F615 AromaticContact CD2-CD2 3.62Å; W562-F615 HydrophobicContact CD2-CD2 3.62Å; W562-F615 HydrophobicContact CD2-CE1 4.36Å; W562-F615 HydrophobicContact CD2-CE2 4.08Å; W562-F615 AromaticContact CD2-CG 3.55Å; W562-F615 HydrophobicContact CD2-CG 3.55Å; W562-F615 HydrophobicContact CD2-CZ 4.42Å; W562-F615 AromaticContact CE2-CD1 3.86Å; W562-F615 AromaticContact CE2-CG 3.84Å; W562-F615 HydrophobicContact CE3-CB 3.88Å; W562-F615 AromaticContact CE3-CD2 3.78Å; W562-F615 HydrophobicContact CE3-CD2 3.78Å; W562-F615 AromaticContact CE3-CG 3.82Å; W562-F615 HydrophobicContact CE3-CG 3.82Å; W562-F615 AromaticContact CG-CD1 3.98Å; W562-F615 HydrophobicContact CG-CD1 3.98Å; W562-F615 AromaticContact CG-CD2 3.61Å; W562-F615 HydrophobicContact CG-CD2 3.61Å; W562-F615 AromaticContact CG-CE1 3.9Å; W562-F615 HydrophobicContact CG-CE1 3.9Å; W562-F615 AromaticContact CG-CE2 3.53Å; W562-F615 HydrophobicContact CG-CE2 3.53Å; W562-F615 AromaticContact CG-CG 3.84Å; W562-F615 HydrophobicContact CG-CG 3.84Å; W562-F615 AromaticContact CG-CZ 3.68Å; W562-F615 HydrophobicContact CG-CZ 3.68Å; W562-F615 HydrophobicContact CH2-CB 4.06Å; W562-F615 HydrophobicContact CZ2-CB 4.19Å; W562-F615 HydrophobicContact CZ2-CD1 4.48Å; W562-F615 HydrophobicContact CZ2-CG 4.36Å; W562-F615 HydrophobicContact CZ3-CB 3.9Å; W562-F615 HydrophobicContact CZ3-CG 4.34Å; W562-F615 AromaticContact NE1-CD1 3.81Å; W562-F615 AromaticContact NE1-CE1 3.96Å; F605-F615 HydrophobicContact CE1-CD2 4.12Å; I610-F615 HydrophobicContact CG2-CB 4.15Å; T611-F615 PolarHBondContact O-N 3.46Å; P612-F615 PolarHBondContact O-N 2.89Å; F615-C617 VanDerWaalsContact C-N 3.35Å; F615-C617 PolarHBondContact O-N 2.7Å; F615-M618 PolarHBondContact O-N 3.48Å; F615-K619 HydrophobicContact CE1-CD 4.26Å; F615-K619 HydrophobicContact CZ-CB 4.49Å; F615-K619 HydrophobicContact CZ-CD 4.03Å; F615-K619 VanDerWaalsContact O-CB 3.32Å; F615-K619 WeakPolarHBondContact O-CB 3.35Å; F615-K619 PolarHBondContact O-N 2.64Å
616	L	93.3	Very high	88.7	Confident	18 Å²	18	28.6 Å²	28.6	9%	0.094	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-44.4	-179.9	-73.9	170.8	0	0	0	112	L488 E489 E492 P612 E614 A620	L488-L616 HydrophobicContact CB-CB 4.07Å; L488-L616 HydrophobicContact CB-CD1 4.35Å; L488-L616 HydrophobicContact CD1-CB 4.16Å; E489-L616 HydrophobicContact CB-CD1 3.94Å; E492-L616 HydrophobicContact CB-CD2 4.23Å; E492-L616 HydrophobicContact CG-CD2 4.19Å; P612-L616 WeakPolarHBondContact O-CG 3.39Å; P612-L616 PolarHBondContact O-N 2.88Å; E614-L616 PolarHBondContact O-N 2.9Å; L616-A620 PolarHBondContact O-N 2.81Å; L616-A620 VanDerWaalsContact O-N 3.15Å
617	C	92.1	Very high	86.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.2	-41.8	178.1	-168.2	0	0	0	0	111.9	Q613 E614 F615 A620 L621 L656 I659	Q613-C617 PolarHBondContact O-N 3.48Å; E614-C617 PolarHBondContact O-N 2.96Å; F615-C617 VanDerWaalsContact C-N 3.35Å; F615-C617 PolarHBondContact O-N 2.7Å; C617-A620 PolarHBondContact O-N 2.98Å; C617-L621 WeakPolarHBondContact O-CB 3.32Å; C617-L621 WeakPolarHBondContact O-CG 3.27Å; C617-L621 PolarHBondContact O-N 3.42Å; C617-L656 HydrophobicContact CB-CD1 4.22Å; C617-I659 HydrophobicContact CB-CD1 3.58Å
618	M	93.7	Very high	84.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-40.8	175.2	-73.2	172.6	74.2	0	0	112.6	F558 I610 E614 F615 L621 L622 L656 L677 L680 L681	F558-M618 HydrophobicContact CE1-CB 3.97Å; F558-M618 HydrophobicContact CE2-CE 4.14Å; F558-M618 HydrophobicContact CZ-CB 3.61Å; F558-M618 HydrophobicContact CZ-CE 3.94Å; F558-M618 HydrophobicContact CZ-SD 4.42Å; I610-M618 HydrophobicContact CD1-CE 4.18Å; I610-M618 HydrophobicContact CD1-SD 4.28Å; I610-M618 HydrophobicContact CG2-SD 4.38Å; E614-M618 HydrophobicContact CB-SD 4.48Å; E614-M618 VanDerWaalsContact O-CB 3.3Å; E614-M618 WeakPolarHBondContact O-CB 3.22Å; E614-M618 WeakPolarHBondContact O-CG 3.4Å; E614-M618 PolarHBondContact O-N 3.48Å; F615-M618 PolarHBondContact O-N 3.48Å; M618-L621 WeakPolarHBondContact O-CB 3.4Å; M618-L621 PolarHBondContact O-N 3.07Å; M618-L622 WeakPolarHBondContact O-CB 3.5Å; M618-L622 PolarHBondContact O-N 3.33Å; M618-L656 HydrophobicContact CG-CD1 4.2Å; M618-L656 HydrophobicContact CG-CD2 4.46Å; M618-L677 HydrophobicContact CE-CB 3.89Å; M618-L677 HydrophobicContact CE-CD2 4.18Å; M618-L677 VanDerWaalsContact CE-O 3.23Å; M618-L677 WeakPolarHBondContact CE-O 3.44Å; M618-L677 HydrophobicContact CG-CB 4.49Å; M618-L677 HydrophobicContact SD-CB 3.81Å; M618-L677 HydrophobicContact SD-CD1 3.95Å; M618-L677 HydrophobicContact SD-CD2 3.75Å; M618-L677 HydrophobicContact SD-CG 4.02Å; M618-L680 HydrophobicContact CE-CB 4.13Å; M618-L680 HydrophobicContact CE-CD2 4.09Å; M618-L681 HydrophobicContact CB-CD1 4.47Å; M618-L681 HydrophobicContact CB-CD2 4.09Å; M618-L681 HydrophobicContact CE-CD2 4.25Å; M618-L681 HydrophobicContact CE-CG 4.1Å
619	K	93.6	Very high	81.8	Confident	6 Å²	6	24 Å²	24	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-44.6	175.3	-175.5	-171.3	172	-172.1	0	111.1	E492 W529 L555 F558 F615 L622 L623	E492-K619 IonicContact OE1-NZ 2.73Å; E492-K619 PolarHBondContact OE1-NZ 2.84Å; E492-K619 IonicContact OE2-NZ 3.78Å; E492-K619 PolarHBondContact OE2-NZ 3.21Å; W529-K619 HydrophobicContact CH2-CD 4.31Å; W529-K619 HydrophobicContact CH2-CG 3.9Å; W529-K619 HydrophobicContact CZ2-CB 4.46Å; W529-K619 HydrophobicContact CZ2-CD 3.75Å; W529-K619 HydrophobicContact CZ2-CG 3.74Å; L555-K619 HydrophobicContact CD2-CG 4.11Å; L555-K619 VanDerWaalsContact CD2-O 3.27Å; L555-K619 WeakPolarHBondContact CD2-O 3.43Å; F558-K619 HydrophobicContact CD1-CB 4.01Å; F558-K619 HydrophobicContact CD1-CG 4.38Å; F558-K619 HydrophobicContact CE1-CB 3.92Å; F615-K619 HydrophobicContact CE1-CD 4.26Å; F615-K619 HydrophobicContact CZ-CB 4.49Å; F615-K619 HydrophobicContact CZ-CD 4.03Å; F615-K619 VanDerWaalsContact O-CB 3.32Å; F615-K619 WeakPolarHBondContact O-CB 3.35Å; F615-K619 PolarHBondContact O-N 2.64Å; K619-L622 WeakPolarHBondContact O-CB 3.12Å; K619-L622 PolarHBondContact O-N 2.69Å; K619-L623 PolarHBondContact O-N 3.4Å
620	A	92.1	Very high	79.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.4	-40.2	174.2	0	0	0	0	0	112.2	L488 W529 L533 L616 C617 L622 L623 F624 Y652	L488-A620 HydrophobicContact CD2-CB 4.49Å; W529-A620 HydrophobicContact CZ2-CB 4.48Å; L533-A620 HydrophobicContact CD2-CB 3.99Å; L616-A620 PolarHBondContact O-N 2.81Å; L616-A620 VanDerWaalsContact O-N 3.15Å; C617-A620 PolarHBondContact O-N 2.98Å; A620-L622 VanDerWaalsContact C-N 3.26Å; A620-L622 PolarHBondContact O-N 2.72Å; A620-L623 WeakPolarHBondContact O-CB 3.32Å; A620-L623 PolarHBondContact O-N 3.04Å; A620-F624 WeakPolarHBondContact O-CD2 3.43Å; A620-F624 PolarHBondContact O-N 2.89Å; A620-Y652 HydrophobicContact CB-CD1 3.52Å; A620-Y652 HydrophobicContact CB-CE1 3.42Å; A620-Y652 VanDerWaalsContact CB-CE1 3.42Å
621	L	90.8	Very high	76.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.4	-35.7	172.5	-81.5	168.9	0	0	0	112.8	C617 M618 F624 S625 I653 L656 L681 F734	C617-L621 WeakPolarHBondContact O-CB 3.32Å; C617-L621 WeakPolarHBondContact O-CG 3.27Å; C617-L621 PolarHBondContact O-N 3.42Å; M618-L621 WeakPolarHBondContact O-CB 3.4Å; M618-L621 PolarHBondContact O-N 3.07Å; L621-F624 CarbonylContact O-C 3.58Å; L621-F624 WeakPolarHBondContact O-CA 3.23Å; L621-F624 PolarHBondContact O-N 3.21Å; L621-F624 VanDerWaalsContact O-N 3.12Å; L621-S625 WeakPolarHBondContact O-CB 3.38Å; L621-S625 PolarHBondContact O-N 2.91Å; L621-S625 PolarHBondContact O-OG 3.44Å; L621-I653 HydrophobicContact CD2-CG1 3.63Å; L621-L656 HydrophobicContact CD1-CB 4.02Å; L621-L656 HydrophobicContact CD1-CD2 3.68Å; L621-L656 HydrophobicContact CD1-CG 4.4Å; L621-L681 HydrophobicContact CB-CD1 3.92Å; L621-L681 HydrophobicContact CD1-CD1 4.38Å; L621-F734 HydrophobicContact CD2-CZ 4.4Å
622	L	90.3	Very high	73.7	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-39.8	180	-172.4	58.1	0	0	0	112.2	G554 L555 F558 M618 K619 A620 F624 S625 L681 V684 Q685	G554-L622 WeakPolarHBondContact O-CD2 3.16Å; L555-L622 HydrophobicContact CD2-CB 4.14Å; L555-L622 HydrophobicContact CD2-CD2 4.35Å; L555-L622 HydrophobicContact CD2-CG 4.33Å; F558-L622 HydrophobicContact CB-CD2 3.58Å; F558-L622 HydrophobicContact CD1-CD2 4.35Å; F558-L622 HydrophobicContact CD2-CD2 4.43Å; F558-L622 HydrophobicContact CG-CD2 3.89Å; M618-L622 WeakPolarHBondContact O-CB 3.5Å; M618-L622 PolarHBondContact O-N 3.33Å; K619-L622 WeakPolarHBondContact O-CB 3.12Å; K619-L622 PolarHBondContact O-N 2.69Å; A620-L622 VanDerWaalsContact C-N 3.26Å; A620-L622 PolarHBondContact O-N 2.72Å; L622-F624 VanDerWaalsContact C-N 3.28Å; L622-F624 PolarHBondContact O-N 3.09Å; L622-S625 PolarHBondContact O-N 3.03Å; L622-S625 VanDerWaalsContact O-N 3.13Å; L622-L681 HydrophobicContact CB-CD2 4.12Å; L622-L681 HydrophobicContact CD1-CD2 4.34Å; L622-V684 HydrophobicContact CD1-CG1 4.41Å; L622-V684 HydrophobicContact CD2-CG1 4.11Å; L622-Q685 VanDerWaalsContact CD1-NE2 3.33Å
623	L	89	Confident	70.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-44.9	169.3	179.1	72.9	0	0	0	110.7	W529 A530 L533 F536 V547 I548 S551 L555 K619 A620 S625	W529-L623 HydrophobicContact CH2-CB 4.38Å; W529-L623 HydrophobicContact CH2-CD2 4.46Å; W529-L623 HydrophobicContact CZ3-CB 4.36Å; W529-L623 HydrophobicContact CZ3-CD2 4.07Å; A530-L623 HydrophobicContact CB-CD2 4.22Å; L533-L623 HydrophobicContact CD1-CD2 3.29Å; F536-L623 HydrophobicContact CD2-CD2 3.92Å; F536-L623 HydrophobicContact CE2-CD2 3.92Å; V547-L623 HydrophobicContact CG1-CD1 3.69Å; V547-L623 HydrophobicContact CG1-CG 3.81Å; V547-L623 WeakPolarHBondContact CG1-O 3.45Å; I548-L623 HydrophobicContact CG1-CD1 4.06Å; S551-L623 WeakPolarHBondContact OG-CD1 3.24Å; L555-L623 HydrophobicContact CD1-CB 4.28Å; L555-L623 HydrophobicContact CD1-CD1 3.87Å; L555-L623 HydrophobicContact CD2-CB 4.32Å; K619-L623 PolarHBondContact O-N 3.4Å; A620-L623 WeakPolarHBondContact O-CB 3.32Å; A620-L623 PolarHBondContact O-N 3.04Å; L623-S625 VanDerWaalsContact C-N 3.3Å; L623-S625 PolarHBondContact O-N 3.26Å
624	F	84	Confident	67.9	Low	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	19.7	178.2	-54.5	-63.8	0	0	0	114.3	L533 F536 L539 A620 L621 L622 F645 L648 R649 Y652	L533-F624 HydrophobicContact CD1-CE2 4.35Å; L533-F624 HydrophobicContact CD1-CZ 4.42Å; F536-F624 AromaticContact CD2-CE1 3.91Å; F536-F624 HydrophobicContact CD2-CE1 3.91Å; F536-F624 AromaticContact CD2-CZ 3.94Å; F536-F624 HydrophobicContact CD2-CZ 3.94Å; L539-F624 HydrophobicContact CD1-CE1 4.37Å; A620-F624 WeakPolarHBondContact O-CD2 3.43Å; A620-F624 PolarHBondContact O-N 2.89Å; L621-F624 CarbonylContact O-C 3.58Å; L621-F624 WeakPolarHBondContact O-CA 3.23Å; L621-F624 PolarHBondContact O-N 3.21Å; L621-F624 VanDerWaalsContact O-N 3.12Å; L622-F624 VanDerWaalsContact C-N 3.28Å; L622-F624 PolarHBondContact O-N 3.09Å; F624-F645 HydrophobicContact CB-CZ 4.37Å; F624-F645 HydrophobicContact CD1-CD2 4.28Å; F624-F645 AromaticContact CD1-CE2 3.85Å; F624-F645 HydrophobicContact CD1-CE2 3.85Å; F624-F645 HydrophobicContact CD1-CZ 4.49Å; F624-L648 HydrophobicContact CD1-CD2 4.22Å; F624-L648 HydrophobicContact CE1-CD2 3.46Å; F624-L648 VanDerWaalsContact CE1-CD2 3.46Å; F624-L648 HydrophobicContact CE1-CG 4.07Å; F624-L648 HydrophobicContact CE2-CG 4.5Å; F624-L648 HydrophobicContact CZ-CD2 3.66Å; F624-L648 HydrophobicContact CZ-CG 4.07Å; F624-R649 HydrophobicContact CB-CB 4.13Å; F624-R649 HydrophobicContact CB-CG 4.36Å; F624-R649 WeakPolarHBondContact O-CD 3.43Å; F624-R649 PolarHBondContact O-NH1 3.04Å; F624-Y652 AromaticContact CD2-CD2 3.71Å; F624-Y652 HydrophobicContact CD2-CD2 3.71Å; F624-Y652 AromaticContact CD2-CE2 3.91Å; F624-Y652 HydrophobicContact CD2-CE2 3.91Å; F624-Y652 HydrophobicContact CD2-CG 4.18Å; F624-Y652 AromaticContact CE2-CD2 3.65Å; F624-Y652 HydrophobicContact CE2-CD2 3.65Å; F624-Y652 HydrophobicContact CE2-CE1 4.28Å; F624-Y652 AromaticContact CE2-CE2 3.32Å; F624-Y652 HydrophobicContact CE2-CE2 3.32Å; F624-Y652 HydrophobicContact CE2-CG 4.31Å; F624-Y652 AromaticContact CE2-CZ 3.69Å; F624-Y652 HydrophobicContact CZ-CE2 4.04Å
625	S	70.6	Confident	65.4	Low	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.			trans	-106.6	29	-179.2	-65.6	0	0	0	0	114.3	L621 L622 L623 R649 I732 F734	L621-S625 WeakPolarHBondContact O-CB 3.38Å; L621-S625 PolarHBondContact O-N 2.91Å; L621-S625 PolarHBondContact O-OG 3.44Å; L622-S625 PolarHBondContact O-N 3.03Å; L622-S625 VanDerWaalsContact O-N 3.13Å; L623-S625 VanDerWaalsContact C-N 3.3Å; L623-S625 PolarHBondContact O-N 3.26Å; S625-R649 VanDerWaalsContact CA-NH1 3.34Å; S625-R649 PolarHBondContact OG-NH1 3.16Å; S625-I732 PolarHBondContact O-N 3.33Å; S625-F734 WeakPolarHBondContact OG-CE2 3.36Å
626	I	59.1	Low	62.6	Low	17 Å²	17	54.9 Å²	54.9	9%	0.087	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.6	176.9	-59.9	-170.3	0	0	0	110.3	Y550 F645 V729	Y550-I626 WeakPolarHBondContact O-CD1 3.44Å; I626-F645 WeakPolarHBondContact O-CZ 3.47Å; I626-V729 HydrophobicContact CG2-CG1 3.73Å
627	K	48.9	Very low	60.6	Low	79 Å²	79	60.1 Å²	60.1	34%	0.343	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	94.5	175.5	-120.8	-169.5	178.9	-146.7	0	108.8	N629 K730 I732	K627-N629 HydrophobicContact CB-CB 3.84Å; K627-N629 HydrophobicContact CD-CB 3.74Å; K627-N629 WeakPolarHBondContact CD-OD1 3.36Å; K627-N629 VanDerWaalsContact CE-OD1 3.22Å; K627-N629 WeakPolarHBondContact CE-OD1 3.47Å; K627-N629 HydrophobicContact CG-CB 3.7Å; K627-N629 PolarHBondContact NZ-OD1 3.2Å; K627-N629 PolarHBondContact O-N 3.41Å; K627-K730 CarbonylContact C-O 3.25Å; K627-K730 PolarHBondContact N-O 2.91Å; K627-I732 HydrophobicContact CB-CD1 4.2Å; K627-I732 HydrophobicContact CB-CG1 3.5Å; K627-I732 VanDerWaalsContact CB-CG1 3.5Å; K627-I732 HydrophobicContact CD-CG1 4.24Å; K627-I732 HydrophobicContact CG-CD1 3.9Å; K627-I732 HydrophobicContact CG-CG1 3.63Å
628	A	40.4	Very low	58.9	Low	27 Å²	27	62.5 Å²	62.5	22%	0.223	33%	0.334	C	S	.	.			trans	-66.8	84.6	156.4	0	0	0	0	0	107.6	L639	A628-L639 HydrophobicContact CB-CG 4.35Å
629	N	37.3	Very low	57.6	Low	35 Å²	35	63.4 Å²	63.4	19%	0.187	34%	0.339	C	S	.	.			trans	-148.7	111	-166.1	-113.9	-128.9	0	0	0	113.6	K627 F631 Q642	K627-N629 HydrophobicContact CB-CB 3.84Å; K627-N629 HydrophobicContact CD-CB 3.74Å; K627-N629 WeakPolarHBondContact CD-OD1 3.36Å; K627-N629 VanDerWaalsContact CE-OD1 3.22Å; K627-N629 WeakPolarHBondContact CE-OD1 3.47Å; K627-N629 HydrophobicContact CG-CB 3.7Å; K627-N629 PolarHBondContact NZ-OD1 3.2Å; K627-N629 PolarHBondContact O-N 3.41Å; N629-F631 PolarHBondContact O-N 2.96Å; N629-Q642 PolarHBondContact ND2-OE1 2.84Å
630	L	38.1	Very low	56.6	Low	146 Å²	146	68.6 Å²	68.6	76%	0.764	36%	0.361	S	S	*	.	S	Bend		70.9	-11.9	112	-149.5	68.9	0	0	0	119.2
631	F	32.5	Very low	55.9	Low	168 Å²	168	72.6 Å²	72.6	74%	0.737	38%	0.383	S	S	*	.	S	Bend	trans	-130.5	45	-179.6	-81.1	-81.8	0	0	0	113.3	N629 K730	N629-F631 PolarHBondContact O-N 2.96Å; F631-K730 PolarHBondContact O-NZ 3.41Å
632	A	33.3	Very low	55.4	Low	56 Å²	56	74.5 Å²	74.5	46%	0.463	39%	0.391	S	S	.	.	S	Bend	trans	-144.5	150.1	155.4	0	0	0	0	0	107.3	I634	A632-I634 PolarHBondContact O-N 3.35Å
633	R	32.4	Very low	54.9	Low	245 Å²	245	82.7 Å²	82.7	93%	0.925	43%	0.427	S	S	*	.	S	Bend	trans	-64.3	104.2	175.6	-82.1	179.4	170.6	168.1	-4.4	109.7
634	I	28	Very low	54.6	Low	139 Å²	139	85.5 Å²	85.5	71%	0.713	44%	0.439	S	S	*	.			trans	60.4	112.2	165.3	-54.9	168.7	0	0	0	113.5	A632 V636	A632-I634 PolarHBondContact O-N 3.35Å; I634-V636 HydrophobicContact CG2-CG2 3.99Å
635	P	38.6	Very low	54.5	Low	85 Å²	85	85.5 Å²	85.5	55%	0.552	44%	0.439	S	S	*	.				-104.1	159	94.8	29.9	-35.7	0	0	0	112.1
636	V	36.7	Very low	55.1	Low	127 Å²	127	88.5 Å²	88.5	77%	0.77	46%	0.455	S	S	*	.	S	Bend	trans	-73.5	-29.9	-172.4	-176.7	0	0	0	0	111.9	I634	I634-V636 HydrophobicContact CG2-CG2 3.99Å
637	D	50.9	Low	56.3	Low	129 Å²	129	93.5 Å²	93.5	69%	0.69	48%	0.478	S	S	*	.			trans	-102.5	101.6	-172.7	-51.9	-80.1	0	0	0	112.4
638	G	56.6	Low	58	Low	50 Å²	50	90.2 Å²	90.2	52%	0.515	46%	0.464	S	S	.	.			trans	-81	175.5	158.4	0	0	0	0	0	111.5	K640	G638-K640 PolarHBondContact O-N 2.95Å; G638-K640 VanDerWaalsContact O-N 3.16Å
639	L	66.7	Low	60.2	Low	19 Å²	19	90 Å²	90	10%	0.099	46%	0.458	C	S	.	.			trans	-57.9	121.5	171.9	-70.1	176.7	0	0	0	110	D543 V547 A628 N641 Q642 F645	D543-L639 HydrophobicContact CB-CD2 3.93Å; D543-L639 WeakPolarHBondContact OD1-CA 3.42Å; V547-L639 HydrophobicContact CG2-CD2 4.25Å; A628-L639 HydrophobicContact CB-CG 4.35Å; L639-N641 PolarHBondContact O-N 3.02Å; L639-Q642 HydrophobicContact CB-CB 4.33Å; L639-Q642 PolarHBondContact O-N 3.07Å; L639-Q642 VanDerWaalsContact O-N 3.17Å; L639-F645 HydrophobicContact CD1-CB 4.02Å; L639-F645 HydrophobicContact CD1-CD1 3.9Å; L639-F645 HydrophobicContact CD1-CD2 3.81Å; L639-F645 HydrophobicContact CD1-CE1 4.29Å; L639-F645 HydrophobicContact CD1-CE2 4.22Å; L639-F645 HydrophobicContact CD1-CG 3.63Å; L639-F645 HydrophobicContact CD1-CZ 4.44Å
640	K	73.2	Confident	62.4	Low	115 Å²	115	92.5 Å²	92.5	50%	0.5	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.9	-175.2	-73.7	177.5	168.6	179.6	0	111.3	H540 D542 D543 G638	H540-K640 HydrophobicContact CB-CB 4.19Å; H540-K640 HydrophobicContact CB-CD 4.35Å; H540-K640 PolarHBondContact CE1-NZ 2.87Å; D542-K640 WeakPolarHBondContact OD2-CE 3.46Å; D542-K640 IonicContact OD2-NZ 3.07Å; D542-K640 PolarHBondContact OD2-NZ 2.92Å; D543-K640 PolarHBondContact OD1-N 2.83Å; D543-K640 PolarHBondContact OD2-N 3.04Å; G638-K640 PolarHBondContact O-N 2.95Å; G638-K640 VanDerWaalsContact O-N 3.16Å
641	N	77.3	Confident	64.8	Low	83 Å²	83	89.5 Å²	89.5	44%	0.444	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	46.2	176.3	-77.5	-38.3	0	0	0	113.8	D543 L639 K643 F644 F645	D543-N641 PolarHBondContact OD2-N 3.13Å; L639-N641 PolarHBondContact O-N 3.02Å; N641-K643 VanDerWaalsContact C-N 3.25Å; N641-K643 PolarHBondContact O-N 3.45Å; N641-F644 HydrophobicContact CB-CB 4.27Å; N641-F644 PolarHBondContact O-N 2.89Å; N641-F645 PolarHBondContact O-N 3.46Å; N641-F645 VanDerWaalsContact O-N 3.1Å
642	Q	79.6	Confident	67.3	Low	40 Å²	40	81.6 Å²	81.6	19%	0.187	42%	0.419	C	S	.	.	H	α-helix	trans	-41.9	-44.5	178.6	-178.8	65	59.9	0	0	114.6	N629 L639 F644 F645 D646	N629-Q642 PolarHBondContact ND2-OE1 2.84Å; L639-Q642 HydrophobicContact CB-CB 4.33Å; L639-Q642 PolarHBondContact O-N 3.07Å; L639-Q642 VanDerWaalsContact O-N 3.17Å; Q642-F644 VanDerWaalsContact C-N 3.34Å; Q642-F644 PolarHBondContact O-N 3.32Å; Q642-F645 WeakPolarHBondContact O-CB 3.47Å; Q642-F645 PolarHBondContact O-N 3.31Å; Q642-D646 PolarHBondContact NE2-OD1 3.14Å; Q642-D646 PolarHBondContact NE2-OD2 3.47Å; Q642-D646 PolarHBondContact O-N 3.46Å
643	K	79.7	Confident	70	Confident	176 Å²	176	80 Å²	80	77%	0.765	40%	0.403	S	S	*	.	H	α-helix	trans	-60	-41.2	178.7	-68.4	-179.5	-178.6	173.8	0	112.9	N641 D646 E647	N641-K643 VanDerWaalsContact C-N 3.25Å; N641-K643 PolarHBondContact O-N 3.45Å; K643-D646 PolarHBondContact O-N 3.31Å; K643-E647 WeakPolarHBondContact O-CG 3.47Å; K643-E647 PolarHBondContact O-N 3.22Å
644	F	82.2	Confident	72.6	Confident	59 Å²	59	73.6 Å²	73.6	26%	0.259	38%	0.382	S	S	.	.	H	α-helix	trans	-72.5	-35.1	177.9	-178.4	-103.1	0	0	0	111.4	G535 N538 L539 N641 Q642 E647 L648	G535-F644 WeakPolarHBondContact O-CE1 3.49Å; N538-F644 HydrophobicContact CB-CE1 3.58Å; N538-F644 HydrophobicContact CB-CZ 3.55Å; L539-F644 HydrophobicContact CD2-CD1 3.86Å; L539-F644 HydrophobicContact CD2-CE1 4.41Å; L539-F644 HydrophobicContact CG-CD1 4.19Å; L539-F644 HydrophobicContact CG-CE1 4.25Å; N641-F644 HydrophobicContact CB-CB 4.27Å; N641-F644 PolarHBondContact O-N 2.89Å; Q642-F644 VanDerWaalsContact C-N 3.34Å; Q642-F644 PolarHBondContact O-N 3.32Å; F644-E647 PolarHBondContact O-N 3.38Å; F644-L648 HydrophobicContact CE1-CD2 4.33Å; F644-L648 WeakPolarHBondContact O-CB 3.29Å; F644-L648 PolarHBondContact O-N 2.89Å
645	F	83.1	Confident	75.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-44.6	170.9	178.5	-88.1	0	0	0	112	L539 V547 F624 I626 L639 N641 Q642 L648 R649 I732	L539-F645 HydrophobicContact CD2-CB 4.04Å; L539-F645 HydrophobicContact CD2-CD2 4.36Å; V547-F645 HydrophobicContact CG1-CE2 4.34Å; V547-F645 HydrophobicContact CG2-CD2 4.1Å; V547-F645 HydrophobicContact CG2-CE2 3.62Å; F624-F645 HydrophobicContact CB-CZ 4.37Å; F624-F645 HydrophobicContact CD1-CD2 4.28Å; F624-F645 AromaticContact CD1-CE2 3.85Å; F624-F645 HydrophobicContact CD1-CE2 3.85Å; F624-F645 HydrophobicContact CD1-CZ 4.49Å; I626-F645 WeakPolarHBondContact O-CZ 3.47Å; L639-F645 HydrophobicContact CD1-CB 4.02Å; L639-F645 HydrophobicContact CD1-CD1 3.9Å; L639-F645 HydrophobicContact CD1-CD2 3.81Å; L639-F645 HydrophobicContact CD1-CE1 4.29Å; L639-F645 HydrophobicContact CD1-CE2 4.22Å; L639-F645 HydrophobicContact CD1-CG 3.63Å; L639-F645 HydrophobicContact CD1-CZ 4.44Å; N641-F645 PolarHBondContact O-N 3.46Å; N641-F645 VanDerWaalsContact O-N 3.1Å; Q642-F645 WeakPolarHBondContact O-CB 3.47Å; Q642-F645 PolarHBondContact O-N 3.31Å; F645-L648 PolarHBondContact O-N 3.14Å; F645-R649 WeakPolarHBondContact O-CB 3.4Å; F645-R649 PolarHBondContact O-N 3.34Å; F645-I732 HydrophobicContact CE1-CD1 4.34Å
646	D	82.8	Confident	77.8	Confident	63 Å²	63	63.4 Å²	63.4	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-67.1	-40.4	177.7	-68.3	-38.1	0	0	0	112.1	Q642 K643 M650	Q642-D646 PolarHBondContact NE2-OD1 3.14Å; Q642-D646 PolarHBondContact NE2-OD2 3.47Å; Q642-D646 PolarHBondContact O-N 3.46Å; K643-D646 PolarHBondContact O-N 3.31Å; D646-M650 WeakPolarHBondContact O-CB 3.11Å; D646-M650 PolarHBondContact O-N 3.17Å
647	E	84.4	Confident	80.2	Confident	123 Å²	123	60.8 Å²	60.8	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-61	-42.2	170.7	-77.6	-179.1	-171.1	0	0	112	K643 F644 M650 N651	K643-E647 WeakPolarHBondContact O-CG 3.47Å; K643-E647 PolarHBondContact O-N 3.22Å; F644-E647 PolarHBondContact O-N 3.38Å; E647-M650 PolarHBondContact O-N 3.47Å; E647-N651 PolarHBondContact O-N 3.41Å; E647-N651 PolarHBondContact O-ND2 3.49Å; E647-N651 VanDerWaalsContact O-ND2 3.08Å
648	L	84.3	Confident	81.8	Confident	9 Å²	9	60.7 Å²	60.7	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-52.8	178.7	-171.8	59.8	0	0	0	110.7	L539 F624 F644 F645 M650 N651 Y652	L539-L648 HydrophobicContact CD1-CD2 4.13Å; L539-L648 HydrophobicContact CG-CD2 4.45Å; F624-L648 HydrophobicContact CD1-CD2 4.22Å; F624-L648 HydrophobicContact CE1-CD2 3.46Å; F624-L648 VanDerWaalsContact CE1-CD2 3.46Å; F624-L648 HydrophobicContact CE1-CG 4.07Å; F624-L648 HydrophobicContact CE2-CG 4.5Å; F624-L648 HydrophobicContact CZ-CD2 3.66Å; F624-L648 HydrophobicContact CZ-CG 4.07Å; F644-L648 HydrophobicContact CE1-CD2 4.33Å; F644-L648 WeakPolarHBondContact O-CB 3.29Å; F644-L648 PolarHBondContact O-N 2.89Å; F645-L648 PolarHBondContact O-N 3.14Å; L648-M650 VanDerWaalsContact C-N 3.27Å; L648-M650 PolarHBondContact O-N 3.45Å; L648-N651 WeakPolarHBondContact O-CB 3.5Å; L648-N651 PolarHBondContact O-N 3.13Å; L648-Y652 HydrophobicContact CD1-CD2 4.4Å; L648-Y652 HydrophobicContact CD1-CE2 3.81Å; L648-Y652 HydrophobicContact CG-CD2 4.43Å; L648-Y652 HydrophobicContact CG-CE2 4.08Å; L648-Y652 WeakPolarHBondContact O-CD2 3.49Å; L648-Y652 PolarHBondContact O-N 3Å
649	R	85.8	Confident	83.3	Confident	22 Å²	22	58.6 Å²	58.6	8%	0.083	27%	0.272	C	S	.	.	H	α-helix	trans	-50.4	-47.6	172.6	178.4	-178.9	171.9	69.7	0.7	111.3	F624 S625 F645 N651 Y652 I653 I732	F624-R649 HydrophobicContact CB-CB 4.13Å; F624-R649 HydrophobicContact CB-CG 4.36Å; F624-R649 WeakPolarHBondContact O-CD 3.43Å; F624-R649 PolarHBondContact O-NH1 3.04Å; S625-R649 VanDerWaalsContact CA-NH1 3.34Å; S625-R649 PolarHBondContact OG-NH1 3.16Å; F645-R649 WeakPolarHBondContact O-CB 3.4Å; F645-R649 PolarHBondContact O-N 3.34Å; R649-N651 VanDerWaalsContact C-N 3.26Å; R649-N651 PolarHBondContact O-N 3.26Å; R649-Y652 PolarHBondContact O-N 3.14Å; R649-I653 HydrophobicContact CG-CD1 4.08Å; R649-I653 WeakPolarHBondContact O-CG1 3.39Å; R649-I653 PolarHBondContact O-N 3.03Å; R649-I732 VanDerWaalsContact NH2-CG2 3.34Å
650	M	85.1	Confident	84.3	Confident	89 Å²	89	57.8 Å²	57.8	44%	0.438	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-28.2	179.9	-178.3	56.7	61	0	0	113.3	D646 E647 L648 K654	D646-M650 WeakPolarHBondContact O-CB 3.11Å; D646-M650 PolarHBondContact O-N 3.17Å; E647-M650 PolarHBondContact O-N 3.47Å; L648-M650 VanDerWaalsContact C-N 3.27Å; L648-M650 PolarHBondContact O-N 3.45Å; M650-K654 HydrophobicContact CG-CD 4.48Å; M650-K654 WeakPolarHBondContact O-CD 3.35Å; M650-K654 VanDerWaalsContact O-CG 3.28Å; M650-K654 WeakPolarHBondContact O-CG 3.48Å; M650-K654 PolarHBondContact O-N 3.37Å
651	N	86.9	Confident	84.8	Confident	83 Å²	83	54.9 Å²	54.9	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-73.7	-40.9	174.2	-66.5	-34.5	0	0	0	112.1	E647 L648 R649 I653 K654 E655	E647-N651 PolarHBondContact O-N 3.41Å; E647-N651 PolarHBondContact O-ND2 3.49Å; E647-N651 VanDerWaalsContact O-ND2 3.08Å; L648-N651 WeakPolarHBondContact O-CB 3.5Å; L648-N651 PolarHBondContact O-N 3.13Å; R649-N651 VanDerWaalsContact C-N 3.26Å; R649-N651 PolarHBondContact O-N 3.26Å; N651-I653 VanDerWaalsContact C-N 3.32Å; N651-I653 PolarHBondContact O-N 3.42Å; N651-K654 PolarHBondContact O-N 2.92Å; N651-E655 PolarHBondContact O-N 3.05Å; N651-E655 VanDerWaalsContact O-N 3.08Å
652	Y	86.8	Confident	84.9	Confident	1 Å²	1	55 Å²	55	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-34.6	173	-74.9	-92.4	0	0	0	112.2	F484 L488 L533 P534 A620 F624 L648 R649 E655 L656	F484-Y652 AromaticContact CE1-CD1 3.66Å; F484-Y652 HydrophobicContact CE1-CD1 3.66Å; F484-Y652 AromaticContact CE1-CE1 3.48Å; F484-Y652 HydrophobicContact CE1-CE1 3.48Å; F484-Y652 VanDerWaalsContact CE1-CE1 3.48Å; F484-Y652 AromaticContact CZ-CD1 3.61Å; F484-Y652 HydrophobicContact CZ-CD1 3.61Å; F484-Y652 HydrophobicContact CZ-CD2 4.44Å; F484-Y652 AromaticContact CZ-CE1 3.28Å; F484-Y652 HydrophobicContact CZ-CE1 3.28Å; F484-Y652 HydrophobicContact CZ-CE2 4.15Å; F484-Y652 HydrophobicContact CZ-CG 4.17Å; F484-Y652 AromaticContact CZ-CZ 3.56Å; L488-Y652 HydrophobicContact CD2-CE1 4.32Å; L533-Y652 HydrophobicContact CD2-CE1 4.29Å; P534-Y652 WeakPolarHBondContact CD-OH 3.31Å; P534-Y652 PolarHBondContact O-OH 3.09Å; A620-Y652 HydrophobicContact CB-CD1 3.52Å; A620-Y652 HydrophobicContact CB-CE1 3.42Å; A620-Y652 VanDerWaalsContact CB-CE1 3.42Å; F624-Y652 AromaticContact CD2-CD2 3.71Å; F624-Y652 HydrophobicContact CD2-CD2 3.71Å; F624-Y652 AromaticContact CD2-CE2 3.91Å; F624-Y652 HydrophobicContact CD2-CE2 3.91Å; F624-Y652 HydrophobicContact CD2-CG 4.18Å; F624-Y652 AromaticContact CE2-CD2 3.65Å; F624-Y652 HydrophobicContact CE2-CD2 3.65Å; F624-Y652 HydrophobicContact CE2-CE1 4.28Å; F624-Y652 AromaticContact CE2-CE2 3.32Å; F624-Y652 HydrophobicContact CE2-CE2 3.32Å; F624-Y652 HydrophobicContact CE2-CG 4.31Å; F624-Y652 AromaticContact CE2-CZ 3.69Å; F624-Y652 HydrophobicContact CZ-CE2 4.04Å; L648-Y652 HydrophobicContact CD1-CD2 4.4Å; L648-Y652 HydrophobicContact CD1-CE2 3.81Å; L648-Y652 HydrophobicContact CG-CD2 4.43Å; L648-Y652 HydrophobicContact CG-CE2 4.08Å; L648-Y652 WeakPolarHBondContact O-CD2 3.49Å; L648-Y652 PolarHBondContact O-N 3Å; R649-Y652 PolarHBondContact O-N 3.14Å; Y652-E655 PolarHBondContact O-N 3.14Å; Y652-L656 PolarHBondContact O-N 3.36Å
653	I	88.4	Confident	84.7	Confident	24 Å²	24	57.5 Å²	57.5	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-49.5	174.5	-71.9	173.1	0	0	0	110.5	L621 R649 N651 E655 L656 D657 F674 F734	L621-I653 HydrophobicContact CD2-CG1 3.63Å; R649-I653 HydrophobicContact CG-CD1 4.08Å; R649-I653 WeakPolarHBondContact O-CG1 3.39Å; R649-I653 PolarHBondContact O-N 3.03Å; N651-I653 VanDerWaalsContact C-N 3.32Å; N651-I653 PolarHBondContact O-N 3.42Å; I653-E655 PolarHBondContact O-N 3.48Å; I653-L656 WeakPolarHBondContact O-CB 3.34Å; I653-L656 PolarHBondContact O-N 3.31Å; I653-L656 VanDerWaalsContact O-N 3.09Å; I653-D657 PolarHBondContact O-N 3.47Å; I653-F674 HydrophobicContact CG2-CE2 4.1Å; I653-F674 HydrophobicContact CG2-CZ 3.93Å; I653-F734 HydrophobicContact CD1-CE1 4.1Å; I653-F734 HydrophobicContact CG1-CE1 4.19Å
654	K	87	Confident	84.6	Confident	109 Å²	109	52.8 Å²	52.8	47%	0.474	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-28	177.5	-69.3	164	-173.3	165.3	0	113.2	M650 N651 R658	M650-K654 HydrophobicContact CG-CD 4.48Å; M650-K654 WeakPolarHBondContact O-CD 3.35Å; M650-K654 VanDerWaalsContact O-CG 3.28Å; M650-K654 WeakPolarHBondContact O-CG 3.48Å; M650-K654 PolarHBondContact O-N 3.37Å; N651-K654 PolarHBondContact O-N 2.92Å; K654-R658 WeakPolarHBondContact O-CB 3.5Å; K654-R658 PolarHBondContact O-N 3.45Å
655	E	87.1	Confident	84	Confident	11 Å²	11	59.3 Å²	59.3	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-72.2	-40.4	173.1	-157	67.9	-152.6	0	0	111.3	P482 F484 N651 Y652 I653 D657 R658 I659	P482-E655 VanDerWaalsContact CB-OE1 3.28Å; P482-E655 WeakPolarHBondContact CB-OE1 3.2Å; F484-E655 HydrophobicContact CB-CG 4.26Å; F484-E655 HydrophobicContact CD1-CB 4.36Å; F484-E655 HydrophobicContact CD1-CG 3.63Å; F484-E655 HydrophobicContact CE1-CB 4.28Å; F484-E655 HydrophobicContact CE1-CG 4.05Å; F484-E655 HydrophobicContact CG-CG 4.04Å; N651-E655 PolarHBondContact O-N 3.05Å; N651-E655 VanDerWaalsContact O-N 3.08Å; Y652-E655 PolarHBondContact O-N 3.14Å; I653-E655 PolarHBondContact O-N 3.48Å; E655-D657 PolarHBondContact O-N 3.09Å; E655-R658 WeakPolarHBondContact O-CB 3.3Å; E655-R658 PolarHBondContact O-N 3.12Å; E655-R658 VanDerWaalsContact O-N 3.15Å; E655-R658 WeakPolarHBondContact OE1-CD 3.23Å; E655-R658 IonicContact OE1-CZ 3.2Å; E655-R658 IonicContact OE1-NH1 2.69Å; E655-R658 PolarHBondContact OE1-NH1 2.73Å; E655-R658 IonicContact OE2-CZ 3.85Å; E655-R658 IonicContact OE2-NH1 2.68Å; E655-R658 PolarHBondContact OE2-NH1 2.9Å; E655-I659 HydrophobicContact CG-CD1 4.18Å; E655-I659 WeakPolarHBondContact O-CD1 3.3Å; E655-I659 WeakPolarHBondContact O-CG1 3.47Å; E655-I659 PolarHBondContact O-N 3.06Å
656	L	88.4	Confident	83.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-45.5	173.8	-171.9	63.9	0	0	0	111.2	C617 M618 L621 Y652 I653 R658 I659 I660 F674 L677 T678	C617-L656 HydrophobicContact CB-CD1 4.22Å; M618-L656 HydrophobicContact CG-CD1 4.2Å; M618-L656 HydrophobicContact CG-CD2 4.46Å; L621-L656 HydrophobicContact CD1-CB 4.02Å; L621-L656 HydrophobicContact CD1-CD2 3.68Å; L621-L656 HydrophobicContact CD1-CG 4.4Å; Y652-L656 PolarHBondContact O-N 3.36Å; I653-L656 WeakPolarHBondContact O-CB 3.34Å; I653-L656 PolarHBondContact O-N 3.31Å; I653-L656 VanDerWaalsContact O-N 3.09Å; L656-R658 VanDerWaalsContact C-N 3.31Å; L656-R658 PolarHBondContact O-N 2.94Å; L656-I659 PolarHBondContact O-N 3.08Å; L656-I660 HydrophobicContact CD1-CD1 4.44Å; L656-I660 HydrophobicContact CG-CD1 4.02Å; L656-I660 WeakPolarHBondContact O-CD1 3.41Å; L656-I660 VanDerWaalsContact O-CG1 3.24Å; L656-I660 WeakPolarHBondContact O-CG1 3.33Å; L656-I660 PolarHBondContact O-N 3.32Å; L656-F674 HydrophobicContact CB-CE2 4.42Å; L656-F674 HydrophobicContact CD2-CD2 4.1Å; L656-F674 HydrophobicContact CD2-CE2 3.98Å; L656-F674 HydrophobicContact CG-CD2 4.31Å; L656-F674 HydrophobicContact CG-CE2 4.38Å; L656-L677 HydrophobicContact CD1-CD1 3.9Å; L656-L677 HydrophobicContact CD2-CB 4.43Å; L656-T678 HydrophobicContact CD2-CG2 4.43Å
657	D	87.1	Confident	83.4	Confident	72 Å²	72	65 Å²	65	39%	0.385	32%	0.324	S	S	.	.	H	α-helix	trans	-55.8	-44.2	172.3	-77	-45.9	0	0	0	112	I653 E655 I660 A661 F674	I653-D657 PolarHBondContact O-N 3.47Å; E655-D657 PolarHBondContact O-N 3.09Å; D657-I660 PolarHBondContact O-N 3.33Å; D657-A661 VanDerWaalsContact O-CB 3.3Å; D657-A661 WeakPolarHBondContact O-CB 3.35Å; D657-A661 PolarHBondContact O-N 3.36Å; D657-F674 WeakPolarHBondContact OD1-CD2 3.34Å
658	R	86.6	Confident	83.2	Confident	127 Å²	127	64.1 Å²	64.1	48%	0.479	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-48.5	176.8	-179.6	-177.4	-65.7	141.2	5.8	111.9	K654 E655 L656 I660 A661 C662	K654-R658 WeakPolarHBondContact O-CB 3.5Å; K654-R658 PolarHBondContact O-N 3.45Å; E655-R658 WeakPolarHBondContact O-CB 3.3Å; E655-R658 PolarHBondContact O-N 3.12Å; E655-R658 VanDerWaalsContact O-N 3.15Å; E655-R658 WeakPolarHBondContact OE1-CD 3.23Å; E655-R658 IonicContact OE1-CZ 3.2Å; E655-R658 IonicContact OE1-NH1 2.69Å; E655-R658 PolarHBondContact OE1-NH1 2.73Å; E655-R658 IonicContact OE2-CZ 3.85Å; E655-R658 IonicContact OE2-NH1 2.68Å; E655-R658 PolarHBondContact OE2-NH1 2.9Å; L656-R658 VanDerWaalsContact C-N 3.31Å; L656-R658 PolarHBondContact O-N 2.94Å; R658-I660 VanDerWaalsContact C-N 3.28Å; R658-I660 PolarHBondContact O-N 2.99Å; R658-A661 PolarHBondContact O-N 2.81Å; R658-C662 WeakPolarHBondContact O-CB 3.35Å; R658-C662 PolarHBondContact O-N 2.92Å; R658-C662 PolarHBondContact O-SG 3.16Å
659	I	86.7	Confident	83.2	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-43.4	-179.5	-66.9	156.7	0	0	0	110.3	L485 Q613 E614 C617 E655 L656 K663	L485-I659 HydrophobicContact CD1-CG1 4.27Å; L485-I659 HydrophobicContact CD2-CD1 3.67Å; L485-I659 HydrophobicContact CD2-CG1 4.22Å; L485-I659 HydrophobicContact CG-CD1 4.38Å; L485-I659 HydrophobicContact CG-CG1 4.43Å; Q613-I659 HydrophobicContact CB-CG2 4.09Å; E614-I659 HydrophobicContact CG-CG2 3.89Å; C617-I659 HydrophobicContact CB-CD1 3.58Å; E655-I659 HydrophobicContact CG-CD1 4.18Å; E655-I659 WeakPolarHBondContact O-CD1 3.3Å; E655-I659 WeakPolarHBondContact O-CG1 3.47Å; E655-I659 PolarHBondContact O-N 3.06Å; L656-I659 PolarHBondContact O-N 3.08Å; I659-K663 PolarHBondContact O-N 3.26Å
660	I	87.4	Confident	83.2	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-65.1	-47.8	177	-65.8	166.2	0	0	0	110.9	L656 D657 R658 C662 K663 R664 C670 R673 F674 L677	L656-I660 HydrophobicContact CD1-CD1 4.44Å; L656-I660 HydrophobicContact CG-CD1 4.02Å; L656-I660 WeakPolarHBondContact O-CD1 3.41Å; L656-I660 VanDerWaalsContact O-CG1 3.24Å; L656-I660 WeakPolarHBondContact O-CG1 3.33Å; L656-I660 PolarHBondContact O-N 3.32Å; D657-I660 PolarHBondContact O-N 3.33Å; R658-I660 VanDerWaalsContact C-N 3.28Å; R658-I660 PolarHBondContact O-N 2.99Å; I660-C662 PolarHBondContact O-N 2.61Å; I660-K663 PolarHBondContact O-N 3.27Å; I660-R664 WeakPolarHBondContact O-CB 3.28Å; I660-R664 PolarHBondContact O-N 3.49Å; I660-C670 HydrophobicContact CG2-CB 3.79Å; I660-R673 HydrophobicContact CB-CG 4.49Å; I660-R673 HydrophobicContact CD1-CB 4.45Å; I660-R673 HydrophobicContact CD1-CG 4Å; I660-R673 HydrophobicContact CG1-CG 3.85Å; I660-R673 HydrophobicContact CG2-CB 3.8Å; I660-R673 HydrophobicContact CG2-CG 3.86Å; I660-F674 HydrophobicContact CD1-CB 3.84Å; I660-F674 HydrophobicContact CD1-CD2 4.06Å; I660-F674 HydrophobicContact CD1-CG 4.44Å; I660-L677 HydrophobicContact CD1-CD1 4.16Å; I660-L677 HydrophobicContact CG1-CD1 4.4Å
661	A	85.3	Confident	83.2	Confident	55 Å²	55	65.3 Å²	65.3	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-65.2	-36	-179.4	0	0	0	0	0	113	D657 R658 K663 R664	D657-A661 VanDerWaalsContact O-CB 3.3Å; D657-A661 WeakPolarHBondContact O-CB 3.35Å; D657-A661 PolarHBondContact O-N 3.36Å; R658-A661 PolarHBondContact O-N 2.81Å; A661-K663 VanDerWaalsContact C-N 3.28Å; A661-K663 PolarHBondContact O-N 3.05Å; A661-R664 CarbonylContact O-C 3.3Å; A661-R664 PolarHBondContact O-N 3.37Å; A661-R664 VanDerWaalsContact O-O 3.11Å
662	C	78.1	Confident	83.3	Confident	84 Å²	84	69.9 Å²	69.9	57%	0.568	36%	0.359	S	S	*	.	H	α-helix	trans	-62	-34.8	173.7	-74.3	0	0	0	0	112.3	R658 I660	R658-C662 WeakPolarHBondContact O-CB 3.35Å; R658-C662 PolarHBondContact O-N 2.92Å; R658-C662 PolarHBondContact O-SG 3.16Å; I660-C662 PolarHBondContact O-N 2.61Å
663	K	75.1	Confident	83.5	Confident	93 Å²	93	70.2 Å²	70.2	40%	0.404	36%	0.36	S	S	.	.	H	α-helix	trans	-89.4	-10.1	178.2	-65	-171.1	-178.9	-172.9	0	114.3	T611 I659 I660 A661	T611-K663 VanDerWaalsContact CB-NZ 3.32Å; T611-K663 PolarHBondContact OG1-NZ 2.98Å; I659-K663 PolarHBondContact O-N 3.26Å; I660-K663 PolarHBondContact O-N 3.27Å; A661-K663 VanDerWaalsContact C-N 3.28Å; A661-K663 PolarHBondContact O-N 3.05Å
664	R	77.8	Confident	83.6	Confident	77 Å²	77	71 Å²	71	29%	0.291	36%	0.363	S	S	.	.			trans	-140.2	115.1	-173.9	-64.4	-175.2	-179.1	-150.7	1.3	112.7	I660 A661 N666 S669 C670	I660-R664 WeakPolarHBondContact O-CB 3.28Å; I660-R664 PolarHBondContact O-N 3.49Å; A661-R664 CarbonylContact O-C 3.3Å; A661-R664 PolarHBondContact O-N 3.37Å; A661-R664 VanDerWaalsContact O-O 3.11Å; R664-N666 VanDerWaalsContact C-N 3.28Å; R664-N666 PolarHBondContact O-N 3.2Å; R664-S669 PolarHBondContact NH1-O 3.22Å; R664-S669 VanDerWaalsContact NH1-O 3.09Å; R664-S669 PolarHBondContact NH1-OG 2.86Å; R664-C670 PolarHBondContact O-SG 2.96Å
665	K	69.3	Low	83.7	Confident	196 Å²	196	70.9 Å²	70.9	85%	0.852	36%	0.36	S	S	*	.	S	Bend	trans	-73.8	-5	-179.5	-61.3	-177.4	-178.8	-179.9	0	115.4
666	N	77.6	Confident	84	Confident	86 Å²	86	73 Å²	73	46%	0.46	37%	0.37	S	S	.	.			trans	-117.7	116.6	-174.7	-178.8	-13.1	0	0	0	111.9	R664 T668 S669 C670	R664-N666 VanDerWaalsContact C-N 3.28Å; R664-N666 PolarHBondContact O-N 3.2Å; N666-T668 VanDerWaalsContact C-N 3.34Å; N666-T668 PolarHBondContact O-N 3.26Å; N666-T668 PolarHBondContact OD1-N 3.25Å; N666-T668 PolarHBondContact OD1-OG1 3.15Å; N666-T668 VanDerWaalsContact OD1-OG1 3.12Å; N666-S669 WeakPolarHBondContact O-CB 3.1Å; N666-S669 PolarHBondContact O-N 3.37Å; N666-C670 PolarHBondContact O-N 2.92Å; N666-C670 VanDerWaalsContact O-N 3.1Å; N666-C670 PolarHBondContact O-SG 3.4Å
667	P	76.7	Confident	84.1	Confident	97 Å²	97	73 Å²	73	63%	0.63	37%	0.37	S	S	*	.	H	α-helix	trans	-51.9	-40.1	-177.9	-29.7	36	0	0	0	115.8	S669 C670 S671	P667-S669 VanDerWaalsContact C-N 3.3Å; P667-S669 PolarHBondContact O-N 3.2Å; P667-C670 WeakPolarHBondContact O-CB 3.37Å; P667-C670 PolarHBondContact O-N 3.33Å; P667-C670 VanDerWaalsContact O-N 3.11Å; P667-S671 PolarHBondContact O-N 3.34Å; P667-S671 PolarHBondContact O-OG 2.9Å
668	T	80.1	Confident	84.3	Confident	105 Å²	105	69.6 Å²	69.6	64%	0.644	35%	0.352	S	S	*	.	H	α-helix	trans	-69	-31.9	-179	60.3	0	0	0	0	112.1	N666 C670 R672	N666-T668 VanDerWaalsContact C-N 3.34Å; N666-T668 PolarHBondContact O-N 3.26Å; N666-T668 PolarHBondContact OD1-N 3.25Å; N666-T668 PolarHBondContact OD1-OG1 3.15Å; N666-T668 VanDerWaalsContact OD1-OG1 3.12Å; T668-C670 VanDerWaalsContact C-N 3.34Å; T668-R672 WeakPolarHBondContact O-CB 3.44Å; T668-R672 PolarHBondContact O-N 3.38Å; T668-R672 VanDerWaalsContact O-N 3.09Å
669	S	84.4	Confident	84.5	Confident	42 Å²	42	68.9 Å²	68.9	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-72.7	-28.3	172.7	-167.5	0	0	0	0	112.2	R664 N666 P667 R673	R664-S669 PolarHBondContact NH1-O 3.22Å; R664-S669 VanDerWaalsContact NH1-O 3.09Å; R664-S669 PolarHBondContact NH1-OG 2.86Å; N666-S669 WeakPolarHBondContact O-CB 3.1Å; N666-S669 PolarHBondContact O-N 3.37Å; P667-S669 VanDerWaalsContact C-N 3.3Å; P667-S669 PolarHBondContact O-N 3.2Å; S669-R673 WeakPolarHBondContact O-CB 3.47Å; S669-R673 PolarHBondContact O-N 3.02Å; S669-R673 VanDerWaalsContact O-N 3.14Å
670	C	84.9	Confident	84.8	Confident	21 Å²	21	68.8 Å²	68.8	14%	0.142	35%	0.352	C	S	.	.	H	α-helix	trans	-69.4	-53.2	171.7	-58.3	0	0	0	0	111.3	I660 R664 N666 P667 T668 R672 R673 F674	I660-C670 HydrophobicContact CG2-CB 3.79Å; R664-C670 PolarHBondContact O-SG 2.96Å; N666-C670 PolarHBondContact O-N 2.92Å; N666-C670 VanDerWaalsContact O-N 3.1Å; N666-C670 PolarHBondContact O-SG 3.4Å; P667-C670 WeakPolarHBondContact O-CB 3.37Å; P667-C670 PolarHBondContact O-N 3.33Å; P667-C670 VanDerWaalsContact O-N 3.11Å; T668-C670 VanDerWaalsContact C-N 3.34Å; C670-R672 VanDerWaalsContact C-N 3.3Å; C670-R672 PolarHBondContact O-N 3.32Å; C670-R673 WeakPolarHBondContact O-CA 3.1Å; C670-R673 WeakPolarHBondContact O-CB 3.45Å; C670-R673 PolarHBondContact O-N 2.84Å; C670-F674 PolarHBondContact O-N 3.21Å
671	S	86.6	Confident	84.9	Confident	82 Å²	82	68.8 Å²	68.8	57%	0.573	35%	0.352	S	S	*	.	H	α-helix	trans	-60.3	-39.5	179.6	-52.5	0	0	0	0	112.3	P667 F674 Y675	P667-S671 PolarHBondContact O-N 3.34Å; P667-S671 PolarHBondContact O-OG 2.9Å; S671-F674 PolarHBondContact O-N 2.77Å; S671-Y675 WeakPolarHBondContact O-CB 3.26Å; S671-Y675 PolarHBondContact O-N 3.09Å
672	R	88.6	Confident	85.1	Confident	178 Å²	178	67 Å²	67	67%	0.672	33%	0.334	S	S	*	.	H	α-helix	trans	-63.2	-40	173.6	-174.5	176	179.1	-176.8	0.7	112.1	T668 C670 Q676	T668-R672 WeakPolarHBondContact O-CB 3.44Å; T668-R672 PolarHBondContact O-N 3.38Å; T668-R672 VanDerWaalsContact O-N 3.09Å; C670-R672 VanDerWaalsContact C-N 3.3Å; C670-R672 PolarHBondContact O-N 3.32Å; R672-Q676 VanDerWaalsContact O-CG 3.29Å; R672-Q676 WeakPolarHBondContact O-CG 3.42Å; R672-Q676 PolarHBondContact O-N 3.07Å; R672-Q676 VanDerWaalsContact O-N 3.09Å; R672-Q676 PolarHBondContact O-OE1 2.88Å
673	R	91.4	Very high	85.7	Confident	8 Å²	8	65.1 Å²	65.1	3%	0.03	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-46.3	175.8	179.7	52.4	164.4	-168.6	-9.9	111.5	L608 Q609 E614 I660 S669 C670 Y675 Q676 L677	L608-R673 PolarHBondContact O-NH1 3.4Å; L608-R673 PolarHBondContact O-NH2 3.29Å; Q609-R673 PolarHBondContact O-NH2 3.02Å; E614-R673 VanDerWaalsContact CD-NH2 3.27Å; E614-R673 IonicContact OE1-CZ 2.7Å; E614-R673 VanDerWaalsContact OE1-CZ 3.29Å; E614-R673 IonicContact OE1-NE 2.7Å; E614-R673 PolarHBondContact OE1-NE 3.4Å; E614-R673 IonicContact OE1-NH2 3.99Å; E614-R673 PolarHBondContact OE1-NH2 2.71Å; E614-R673 IonicContact OE2-CZ 2.69Å; E614-R673 IonicContact OE2-NE 3.17Å; E614-R673 IonicContact OE2-NH2 3.09Å; E614-R673 PolarHBondContact OE2-NH2 3.05Å; I660-R673 HydrophobicContact CB-CG 4.49Å; I660-R673 HydrophobicContact CD1-CB 4.45Å; I660-R673 HydrophobicContact CD1-CG 4Å; I660-R673 HydrophobicContact CG1-CG 3.85Å; I660-R673 HydrophobicContact CG2-CB 3.8Å; I660-R673 HydrophobicContact CG2-CG 3.86Å; S669-R673 WeakPolarHBondContact O-CB 3.47Å; S669-R673 PolarHBondContact O-N 3.02Å; S669-R673 VanDerWaalsContact O-N 3.14Å; C670-R673 WeakPolarHBondContact O-CA 3.1Å; C670-R673 WeakPolarHBondContact O-CB 3.45Å; C670-R673 PolarHBondContact O-N 2.84Å; R673-Y675 PolarHBondContact O-N 3.4Å; R673-Q676 WeakPolarHBondContact O-CB 3.42Å; R673-Q676 PolarHBondContact O-N 3.2Å; R673-Q676 VanDerWaalsContact O-N 3.14Å; R673-L677 HydrophobicContact CG-CD1 4.33Å; R673-L677 HydrophobicContact CG-CG 4.43Å; R673-L677 WeakPolarHBondContact O-CG 3.42Å; R673-L677 PolarHBondContact O-N 3.2Å
674	F	89.9	Confident	86.5	Confident	40 Å²	40	60.7 Å²	60.7	18%	0.175	30%	0.303	C	S	.	.	H	α-helix	trans	-55.8	-52.3	178.6	-176.7	-88.1	0	0	0	110.4	I653 L656 D657 I660 C670 S671 Q676 L677 T678	I653-F674 HydrophobicContact CG2-CE2 4.1Å; I653-F674 HydrophobicContact CG2-CZ 3.93Å; L656-F674 HydrophobicContact CB-CE2 4.42Å; L656-F674 HydrophobicContact CD2-CD2 4.1Å; L656-F674 HydrophobicContact CD2-CE2 3.98Å; L656-F674 HydrophobicContact CG-CD2 4.31Å; L656-F674 HydrophobicContact CG-CE2 4.38Å; D657-F674 WeakPolarHBondContact OD1-CD2 3.34Å; I660-F674 HydrophobicContact CD1-CB 3.84Å; I660-F674 HydrophobicContact CD1-CD2 4.06Å; I660-F674 HydrophobicContact CD1-CG 4.44Å; C670-F674 PolarHBondContact O-N 3.21Å; S671-F674 PolarHBondContact O-N 2.77Å; F674-Q676 VanDerWaalsContact C-N 3.33Å; F674-Q676 PolarHBondContact O-N 2.69Å; F674-L677 PolarHBondContact O-N 3.03Å; F674-L677 VanDerWaalsContact O-N 3.1Å; F674-T678 HydrophobicContact CD1-CG2 4.07Å; F674-T678 HydrophobicContact CE1-CG2 3.59Å; F674-T678 HydrophobicContact CE2-CG2 4.23Å; F674-T678 HydrophobicContact CZ-CG2 3.67Å; F674-T678 PolarHBondContact O-N 3.28Å; F674-T678 PolarHBondContact O-OG1 2.97Å
675	Y	89.8	Confident	87	Confident	108 Å²	108	58.2 Å²	58.2	42%	0.424	30%	0.295	S	S	.	.	H	α-helix	trans	-54.2	-43.6	174.8	176.2	-92.9	0	0	0	113.2	S671 R673 L677 T678 K679 H735	S671-Y675 WeakPolarHBondContact O-CB 3.26Å; S671-Y675 PolarHBondContact O-N 3.09Å; R673-Y675 PolarHBondContact O-N 3.4Å; Y675-L677 PolarHBondContact O-N 2.85Å; Y675-T678 PolarHBondContact O-OG1 3.08Å; Y675-K679 HydrophobicContact CE1-CD 3.89Å; Y675-K679 WeakPolarHBondContact O-CB 3.41Å; Y675-K679 PolarHBondContact O-N 3.23Å; Y675-K679 PolarHBondContact OH-NZ 3.21Å; Y675-H735 AromaticContact CD2-CD2 3.68Å; Y675-H735 AromaticContact CD2-CE1 3.77Å; Y675-H735 AromaticContact CD2-NE2 3.19Å; Y675-H735 WeakPolarHBondContact CD2-NE2 3.42Å; Y675-H735 AromaticContact CE2-CD2 3.62Å; Y675-H735 AromaticContact CE2-CE1 3.9Å; Y675-H735 AromaticContact CE2-NE2 3.54Å
676	Q	92.2	Very high	88	Confident	55 Å²	55	51.5 Å²	51.5	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-42.3	177.1	-75.5	173.6	-52.6	0	0	112.3	L608 R672 R673 F674 L680	L608-Q676 HydrophobicContact CD2-CB 4.19Å; L608-Q676 HydrophobicContact CD2-CG 4.31Å; R672-Q676 VanDerWaalsContact O-CG 3.29Å; R672-Q676 WeakPolarHBondContact O-CG 3.42Å; R672-Q676 PolarHBondContact O-N 3.07Å; R672-Q676 VanDerWaalsContact O-N 3.09Å; R672-Q676 PolarHBondContact O-OE1 2.88Å; R673-Q676 WeakPolarHBondContact O-CB 3.42Å; R673-Q676 PolarHBondContact O-N 3.2Å; R673-Q676 VanDerWaalsContact O-N 3.14Å; F674-Q676 VanDerWaalsContact C-N 3.33Å; F674-Q676 PolarHBondContact O-N 2.69Å; Q676-L680 PolarHBondContact O-N 3.44Å
677	L	91.7	Very high	88.8	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-72.2	-45.3	-179.8	-63.2	-172.1	0	0	0	111.9	I610 E614 M618 L656 I660 R673 F674 Y675 K679 L680 L681	I610-L677 HydrophobicContact CD1-CD2 3.66Å; I610-L677 HydrophobicContact CG1-CD2 3.74Å; E614-L677 HydrophobicContact CB-CD1 4.01Å; E614-L677 HydrophobicContact CG-CD1 3.96Å; M618-L677 HydrophobicContact CE-CB 3.89Å; M618-L677 HydrophobicContact CE-CD2 4.18Å; M618-L677 VanDerWaalsContact CE-O 3.23Å; M618-L677 WeakPolarHBondContact CE-O 3.44Å; M618-L677 HydrophobicContact CG-CB 4.49Å; M618-L677 HydrophobicContact SD-CB 3.81Å; M618-L677 HydrophobicContact SD-CD1 3.95Å; M618-L677 HydrophobicContact SD-CD2 3.75Å; M618-L677 HydrophobicContact SD-CG 4.02Å; L656-L677 HydrophobicContact CD1-CD1 3.9Å; L656-L677 HydrophobicContact CD2-CB 4.43Å; I660-L677 HydrophobicContact CD1-CD1 4.16Å; I660-L677 HydrophobicContact CG1-CD1 4.4Å; R673-L677 HydrophobicContact CG-CD1 4.33Å; R673-L677 HydrophobicContact CG-CG 4.43Å; R673-L677 WeakPolarHBondContact O-CG 3.42Å; R673-L677 PolarHBondContact O-N 3.2Å; F674-L677 PolarHBondContact O-N 3.03Å; F674-L677 VanDerWaalsContact O-N 3.1Å; Y675-L677 PolarHBondContact O-N 2.85Å; L677-K679 VanDerWaalsContact C-N 3.3Å; L677-K679 PolarHBondContact O-N 2.85Å; L677-L680 WeakPolarHBondContact O-CB 3.38Å; L677-L680 PolarHBondContact O-N 3.05Å; L677-L680 VanDerWaalsContact O-N 3.13Å; L677-L681 PolarHBondContact O-N 3.43Å
678	T	90.5	Very high	89.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-30.9	177.6	50.6	0	0	0	0	112.3	L656 F674 Y675 L680 L681 D682 F734 H735	L656-T678 HydrophobicContact CD2-CG2 4.43Å; F674-T678 HydrophobicContact CD1-CG2 4.07Å; F674-T678 HydrophobicContact CE1-CG2 3.59Å; F674-T678 HydrophobicContact CE2-CG2 4.23Å; F674-T678 HydrophobicContact CZ-CG2 3.67Å; F674-T678 PolarHBondContact O-N 3.28Å; F674-T678 PolarHBondContact O-OG1 2.97Å; Y675-T678 PolarHBondContact O-OG1 3.08Å; T678-L680 VanDerWaalsContact C-N 3.3Å; T678-L680 PolarHBondContact O-N 3.39Å; T678-L681 WeakPolarHBondContact O-CB 3.5Å; T678-L681 PolarHBondContact O-N 3.46Å; T678-L681 VanDerWaalsContact O-N 3.16Å; T678-D682 PolarHBondContact O-N 3.35Å; T678-F734 HydrophobicContact CG2-CB 4.27Å; T678-F734 HydrophobicContact CG2-CD1 3.51Å; T678-F734 HydrophobicContact CG2-CD2 4.28Å; T678-F734 HydrophobicContact CG2-CE1 3.77Å; T678-F734 HydrophobicContact CG2-CG 3.77Å; T678-F734 HydrophobicContact CG2-CZ 4.27Å; T678-H735 PolarHBondContact OG1-CE1 3.27Å; T678-H735 PolarHBondContact OG1-NE2 2.85Å
679	K	90.1	Very high	90	Very high	113 Å²	113	45.4 Å²	45.4	49%	0.491	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-31	171.7	-175.3	171.7	-173.3	168.6	0	112.6	Y675 L677 D682 S683	Y675-K679 HydrophobicContact CE1-CD 3.89Å; Y675-K679 WeakPolarHBondContact O-CB 3.41Å; Y675-K679 PolarHBondContact O-N 3.23Å; Y675-K679 PolarHBondContact OH-NZ 3.21Å; L677-K679 VanDerWaalsContact C-N 3.3Å; L677-K679 PolarHBondContact O-N 2.85Å; K679-D682 PolarHBondContact O-N 2.84Å; K679-S683 PolarHBondContact O-N 2.97Å; K679-S683 VanDerWaalsContact O-N 3.14Å
680	L	92.4	Very high	90.4	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-36.2	171.1	-166.7	68	0	0	0	111.6	F558 L601 E604 F605 L608 I610 M618 Q676 L677 T678 D682 S683 V684	F558-L680 HydrophobicContact CE2-CD2 4.42Å; L601-L680 HydrophobicContact CD1-CD1 3.7Å; L601-L680 HydrophobicContact CD1-CG 4.06Å; E604-L680 HydrophobicContact CB-CD1 3.53Å; E604-L680 HydrophobicContact CG-CD1 4.01Å; F605-L680 HydrophobicContact CD1-CD2 4.14Å; F605-L680 HydrophobicContact CE1-CD2 4.05Å; F605-L680 HydrophobicContact CZ-CD2 4.46Å; L608-L680 HydrophobicContact CD1-CB 4.45Å; L608-L680 HydrophobicContact CD1-CD1 4.48Å; L608-L680 HydrophobicContact CD1-CD2 4.32Å; I610-L680 HydrophobicContact CD1-CD2 3.31Å; M618-L680 HydrophobicContact CE-CB 4.13Å; M618-L680 HydrophobicContact CE-CD2 4.09Å; Q676-L680 PolarHBondContact O-N 3.44Å; L677-L680 WeakPolarHBondContact O-CB 3.38Å; L677-L680 PolarHBondContact O-N 3.05Å; L677-L680 VanDerWaalsContact O-N 3.13Å; T678-L680 VanDerWaalsContact C-N 3.3Å; T678-L680 PolarHBondContact O-N 3.39Å; L680-D682 VanDerWaalsContact C-N 3.3Å; L680-D682 PolarHBondContact O-N 3.44Å; L680-S683 PolarHBondContact O-N 3.13Å; L680-S683 PolarHBondContact O-OG 3.08Å; L680-V684 WeakPolarHBondContact O-CG2 3.5Å; L680-V684 PolarHBondContact O-N 3.2Å
681	L	90.4	Very high	90.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-34.9	172.9	-66.9	178	0	0	0	112.4	F558 M618 L621 L622 L677 T678 F734	F558-L681 HydrophobicContact CE2-CD2 4.13Å; F558-L681 HydrophobicContact CZ-CD2 4.28Å; M618-L681 HydrophobicContact CB-CD1 4.47Å; M618-L681 HydrophobicContact CB-CD2 4.09Å; M618-L681 HydrophobicContact CE-CD2 4.25Å; M618-L681 HydrophobicContact CE-CG 4.1Å; L621-L681 HydrophobicContact CB-CD1 3.92Å; L621-L681 HydrophobicContact CD1-CD1 4.38Å; L622-L681 HydrophobicContact CB-CD2 4.12Å; L622-L681 HydrophobicContact CD1-CD2 4.34Å; L677-L681 PolarHBondContact O-N 3.43Å; T678-L681 WeakPolarHBondContact O-CB 3.5Å; T678-L681 PolarHBondContact O-N 3.46Å; T678-L681 VanDerWaalsContact O-N 3.16Å; L681-F734 HydrophobicContact CB-CD2 4.25Å; L681-F734 HydrophobicContact CB-CE2 4Å; L681-F734 HydrophobicContact CD1-CE2 3.68Å; L681-F734 HydrophobicContact CD1-CZ 3.96Å
682	D	89.1	Confident	91.2	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-37.5	174.5	-66.2	-25.4	0	0	0	112.2	T678 K679 L680 V684 Q685 P686 Y733 F734 H735	T678-D682 PolarHBondContact O-N 3.35Å; K679-D682 PolarHBondContact O-N 2.84Å; L680-D682 VanDerWaalsContact C-N 3.3Å; L680-D682 PolarHBondContact O-N 3.44Å; D682-V684 VanDerWaalsContact C-N 3.34Å; D682-V684 PolarHBondContact O-N 3.2Å; D682-Q685 PolarHBondContact O-N 2.96Å; D682-P686 VanDerWaalsContact O-CD 3.31Å; D682-P686 WeakPolarHBondContact O-CD 3.35Å; D682-Y733 HydrophobicContact CB-CD1 3.98Å; D682-Y733 WeakPolarHBondContact OD1-CA 3.41Å; D682-F734 PolarHBondContact OD1-N 3.41Å; D682-H735 IonicContact OD2-CE1 3.92Å; D682-H735 IonicContact OD2-CG 2.66Å; D682-H735 PolarHBondContact OD2-N 2.91Å; D682-H735 IonicContact OD2-ND1 3.98Å; D682-H735 PolarHBondContact OD2-ND1 3.49Å
683	S	90.8	Very high	91.4	Very high	46 Å²	46	38.1 Å²	38.1	32%	0.322	18%	0.177	S	C	.	.	H	α-helix	trans	-74.2	-19.4	-179.2	75	0	0	0	0	114.2	K679 L680 Q685 P686 I687	K679-S683 PolarHBondContact O-N 2.97Å; K679-S683 VanDerWaalsContact O-N 3.14Å; L680-S683 PolarHBondContact O-N 3.13Å; L680-S683 PolarHBondContact O-OG 3.08Å; S683-Q685 VanDerWaalsContact C-N 3.3Å; S683-Q685 PolarHBondContact O-N 3.42Å; S683-P686 WeakPolarHBondContact O-CD 3.39Å; S683-P686 WeakPolarHBondContact O-CG 3.17Å; S683-I687 WeakPolarHBondContact O-CG1 3.22Å
684	V	91.4	Very high	91.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-32.4	171	177.5	0	0	0	0	111.9	V557 F558 L601 L622 L680 D682 I687 A688	V557-V684 HydrophobicContact CG1-CG1 4.39Å; F558-V684 HydrophobicContact CD2-CG2 3.82Å; L601-V684 HydrophobicContact CD1-CG2 3.81Å; L601-V684 HydrophobicContact CD2-CG2 3.99Å; L622-V684 HydrophobicContact CD1-CG1 4.41Å; L622-V684 HydrophobicContact CD2-CG1 4.11Å; L680-V684 WeakPolarHBondContact O-CG2 3.5Å; L680-V684 PolarHBondContact O-N 3.2Å; D682-V684 VanDerWaalsContact C-N 3.34Å; D682-V684 PolarHBondContact O-N 3.2Å; V684-I687 WeakPolarHBondContact O-CB 3.49Å; V684-I687 PolarHBondContact O-N 2.69Å; V684-I687 VanDerWaalsContact O-N 3.14Å; V684-A688 PolarHBondContact O-N 3.23Å
685	Q	89.2	Confident	91.7	Very high	24 Å²	24	38 Å²	38	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-50	-174.3	-52.5	-59.3	-32	0	0	114.1	L622 D682 S683 I687 A688 R689 P731 Y733	L622-Q685 VanDerWaalsContact CD1-NE2 3.33Å; D682-Q685 PolarHBondContact O-N 2.96Å; S683-Q685 VanDerWaalsContact C-N 3.3Å; S683-Q685 PolarHBondContact O-N 3.42Å; Q685-I687 VanDerWaalsContact C-N 3.28Å; Q685-I687 PolarHBondContact O-N 2.81Å; Q685-A688 PolarHBondContact O-N 3.5Å; Q685-R689 WeakPolarHBondContact O-CB 3.32Å; Q685-R689 PolarHBondContact O-N 3.12Å; Q685-P731 HydrophobicContact CB-CB 4.35Å; Q685-P731 HydrophobicContact CB-CG 4.36Å; Q685-P731 HydrophobicContact CG-CB 3.95Å; Q685-P731 HydrophobicContact CG-CG 4.41Å; Q685-Y733 HydrophobicContact CB-CE1 3.71Å; Q685-Y733 HydrophobicContact CG-CD1 4.24Å; Q685-Y733 HydrophobicContact CG-CE1 3.77Å
686	P	90.8	Very high	91.9	Very high	55 Å²	55	34.7 Å²	34.7	36%	0.357	17%	0.166	S	C	.	.	H	α-helix	trans	-67.3	-27	173.8	26.6	-35.5	0	0	0	113	R597 D682 S683 E690	R597-P686 PolarHBondContact NH1-O 3.37Å; D682-P686 VanDerWaalsContact O-CD 3.31Å; D682-P686 WeakPolarHBondContact O-CD 3.35Å; S683-P686 WeakPolarHBondContact O-CD 3.39Å; S683-P686 WeakPolarHBondContact O-CG 3.17Å; P686-E690 PolarHBondContact O-N 2.73Å
687	I	93.2	Very high	92	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-51.3	173.5	-58.2	173.7	0	0	0	109.7	V557 R597 M598 L601 S683 V684 Q685 L691	V557-I687 HydrophobicContact CG1-CB 4.43Å; V557-I687 HydrophobicContact CG1-CG2 3.76Å; R597-I687 HydrophobicContact CB-CG1 4.25Å; R597-I687 PolarHBondContact NH2-O 3.25Å; M598-I687 HydrophobicContact CG-CG2 3.74Å; L601-I687 HydrophobicContact CB-CD1 3.9Å; L601-I687 HydrophobicContact CD2-CD1 4.33Å; S683-I687 WeakPolarHBondContact O-CG1 3.22Å; V684-I687 WeakPolarHBondContact O-CB 3.49Å; V684-I687 PolarHBondContact O-N 2.69Å; V684-I687 VanDerWaalsContact O-N 3.14Å; Q685-I687 VanDerWaalsContact C-N 3.28Å; Q685-I687 PolarHBondContact O-N 2.81Å; I687-L691 HydrophobicContact CG2-CD1 3.95Å; I687-L691 WeakPolarHBondContact O-CG 3.34Å; I687-L691 PolarHBondContact O-N 2.98Å; I687-L691 VanDerWaalsContact O-N 3.13Å
688	A	92.6	Very high	92	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-38.6	176.5	0	0	0	0	0	113.3	M553 V684 Q685 L691 H692	M553-A688 HydrophobicContact CB-CB 4.31Å; M553-A688 HydrophobicContact CG-CB 3.87Å; V684-A688 PolarHBondContact O-N 3.23Å; Q685-A688 PolarHBondContact O-N 3.5Å; A688-L691 PolarHBondContact O-N 3.38Å; A688-H692 WeakPolarHBondContact O-CB 3.47Å; A688-H692 VanDerWaalsContact O-CG 3.3Å; A688-H692 PolarHBondContact O-N 3.01Å; A688-H692 PolarHBondContact O-ND1 2.73Å; A688-H692 VanDerWaalsContact O-ND1 3.15Å
689	R	90.9	Very high	92.1	Very high	142 Å²	142	36.7 Å²	36.7	54%	0.536	18%	0.178	S	C	.	.	H	α-helix	trans	-63.5	-44.5	178.8	-173.5	175.7	-177.4	-103.1	-3.8	112.8	Q685 L691 H692 Q693 L725	Q685-R689 WeakPolarHBondContact O-CB 3.32Å; Q685-R689 PolarHBondContact O-N 3.12Å; R689-L691 VanDerWaalsContact C-N 3.35Å; R689-H692 PolarHBondContact O-N 2.84Å; R689-Q693 PolarHBondContact O-N 3.11Å; R689-L725 HydrophobicContact CG-CD2 4.35Å; R689-L725 PolarHBondContact NH2-O 2.86Å
690	E	92.6	Very high	92.2	Very high	86 Å²	86	36.3 Å²	36.3	40%	0.402	18%	0.18	S	C	.	.	H	α-helix	trans	-70.6	-30	175.9	-83.4	177.3	-118.8	0	0	112.9	R597 P686 F694	R597-E690 IonicContact CZ-OE1 3.26Å; R597-E690 IonicContact CZ-OE2 2.98Å; R597-E690 IonicContact NE-OE1 3.69Å; R597-E690 IonicContact NE-OE2 2.65Å; R597-E690 PolarHBondContact NE-OE2 2.96Å; R597-E690 VanDerWaalsContact NE-OE2 3.13Å; R597-E690 IonicContact NH1-OE1 2.77Å; R597-E690 PolarHBondContact NH1-OE1 3.49Å; R597-E690 IonicContact NH1-OE2 3.92Å; R597-E690 PolarHBondContact NH1-OE2 2.88Å; R597-E690 IonicContact NH2-OE2 3.87Å; P686-E690 PolarHBondContact O-N 2.73Å; E690-F694 WeakPolarHBondContact O-CB 3.46Å; E690-F694 PolarHBondContact O-N 3.29Å
691	L	94.1	Very high	92.1	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-41.9	172.4	-77.8	161.6	0	0	0	111.8	M553 V557 M591 Q594 M598 I687 A688 R689 Q693 F694 T695	M553-L691 HydrophobicContact CE-CB 3.92Å; M553-L691 HydrophobicContact CG-CB 4Å; M553-L691 HydrophobicContact SD-CB 3.6Å; M553-L691 VanDerWaalsContact SD-CB 3.6Å; M553-L691 HydrophobicContact SD-CD1 4.12Å; M553-L691 HydrophobicContact SD-CG 4.41Å; V557-L691 HydrophobicContact CG2-CD1 3.32Å; M591-L691 HydrophobicContact CE-CD2 3.55Å; Q594-L691 HydrophobicContact CB-CD2 3.73Å; Q594-L691 HydrophobicContact CB-CG 4.28Å; Q594-L691 HydrophobicContact CG-CD2 4.05Å; Q594-L691 HydrophobicContact CG-CG 4.43Å; M598-L691 HydrophobicContact CE-CD1 4.45Å; M598-L691 HydrophobicContact CE-CD2 4.16Å; M598-L691 HydrophobicContact CG-CD1 4.19Å; M598-L691 HydrophobicContact SD-CD1 3.67Å; M598-L691 HydrophobicContact SD-CD2 4.39Å; I687-L691 HydrophobicContact CG2-CD1 3.95Å; I687-L691 WeakPolarHBondContact O-CG 3.34Å; I687-L691 PolarHBondContact O-N 2.98Å; I687-L691 VanDerWaalsContact O-N 3.13Å; A688-L691 PolarHBondContact O-N 3.38Å; R689-L691 VanDerWaalsContact C-N 3.35Å; L691-Q693 VanDerWaalsContact C-N 3.33Å; L691-Q693 PolarHBondContact O-N 3.14Å; L691-F694 PolarHBondContact O-N 3.14Å; L691-T695 WeakPolarHBondContact O-CG2 3.42Å; L691-T695 PolarHBondContact O-N 2.99Å; L691-T695 PolarHBondContact O-OG1 3.31Å
692	H	92.9	Very high	91.9	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.032	21%	0.206	C	C	.	.	H	α-helix	trans	-54.4	-49.3	171	-77.8	139.4	0	0	0	111	W552 M553 A688 R689 T695 F696 V721 L725	W552-H692 AromaticContact CE2-NE2 3.89Å; W552-H692 AromaticContact CZ2-CD2 3.98Å; W552-H692 AromaticContact NE1-NE2 3.66Å; M553-H692 WeakPolarHBondContact CB-NE2 3.45Å; A688-H692 WeakPolarHBondContact O-CB 3.47Å; A688-H692 VanDerWaalsContact O-CG 3.3Å; A688-H692 PolarHBondContact O-N 3.01Å; A688-H692 PolarHBondContact O-ND1 2.73Å; A688-H692 VanDerWaalsContact O-ND1 3.15Å; R689-H692 PolarHBondContact O-N 2.84Å; H692-T695 WeakPolarHBondContact CA-OG1 3.4Å; H692-T695 PolarHBondContact O-N 3.45Å; H692-T695 PolarHBondContact O-OG1 3.37Å; H692-F696 WeakPolarHBondContact O-CB 3.34Å; H692-F696 PolarHBondContact O-N 2.88Å; H692-V721 HydrophobicContact CB-CG1 3.85Å; H692-V721 HydrophobicContact CB-CG2 4.34Å; H692-L725 HydrophobicContact CB-CD2 4.49Å
693	Q	93.5	Very high	91.3	Very high	73 Å²	73	49.3 Å²	49.3	34%	0.341	24%	0.24	S	C	.	.	H	α-helix	trans	-54.8	-53.2	174.2	-177.7	65.4	57.3	0	0	111.4	R689 L691 T695 F696 D697 L725	R689-Q693 PolarHBondContact O-N 3.11Å; L691-Q693 VanDerWaalsContact C-N 3.33Å; L691-Q693 PolarHBondContact O-N 3.14Å; Q693-T695 PolarHBondContact O-N 2.97Å; Q693-F696 PolarHBondContact O-N 2.97Å; Q693-D697 VanDerWaalsContact NE2-CG 3.29Å; Q693-D697 PolarHBondContact NE2-OD1 2.95Å; Q693-D697 PolarHBondContact NE2-OD2 3.22Å; Q693-D697 PolarHBondContact O-N 3.1Å; Q693-L725 HydrophobicContact CB-CD2 3.97Å
694	F	94.4	Very high	90.8	Very high	35 Å²	35	55 Å²	55	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-47	178.7	178.5	-90.2	0	0	0	112.6	L512 M591 E690 L691 F696 D697 L698	L512-F694 HydrophobicContact CD1-CZ 4.33Å; L512-F694 HydrophobicContact CD2-CE1 4.46Å; M591-F694 HydrophobicContact CE-CD1 3.8Å; M591-F694 HydrophobicContact CE-CE1 3.79Å; M591-F694 HydrophobicContact CG-CD1 4.16Å; M591-F694 HydrophobicContact CG-CE1 3.42Å; M591-F694 VanDerWaalsContact CG-CE1 3.42Å; M591-F694 HydrophobicContact CG-CE2 3.96Å; M591-F694 HydrophobicContact CG-CZ 3.31Å; M591-F694 HydrophobicContact SD-CD1 4.31Å; M591-F694 HydrophobicContact SD-CE1 3.66Å; M591-F694 HydrophobicContact SD-CZ 4.16Å; E690-F694 WeakPolarHBondContact O-CB 3.46Å; E690-F694 PolarHBondContact O-N 3.29Å; L691-F694 PolarHBondContact O-N 3.14Å; F694-F696 VanDerWaalsContact C-N 3.31Å; F694-F696 PolarHBondContact O-N 2.85Å; F694-D697 PolarHBondContact O-N 3.09Å; F694-L698 HydrophobicContact CE1-CD2 3.82Å; F694-L698 HydrophobicContact CZ-CD2 4.39Å; F694-L698 WeakPolarHBondContact O-CB 3.25Å; F694-L698 PolarHBondContact O-N 2.73Å
695	T	93.5	Very high	90.4	Very high	9 Å²	9	57 Å²	57	6%	0.055	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-30.9	179.7	51.8	0	0	0	0	113.1	M553 L691 H692 Q693 L699	M553-T695 HydrophobicContact CE-CG2 3.91Å; L691-T695 WeakPolarHBondContact O-CG2 3.42Å; L691-T695 PolarHBondContact O-N 2.99Å; L691-T695 PolarHBondContact O-OG1 3.31Å; H692-T695 WeakPolarHBondContact CA-OG1 3.4Å; H692-T695 PolarHBondContact O-N 3.45Å; H692-T695 PolarHBondContact O-OG1 3.37Å; Q693-T695 PolarHBondContact O-N 2.97Å; T695-L699 WeakPolarHBondContact O-CB 3.31Å; T695-L699 PolarHBondContact O-N 3.05Å
696	F	94	Very high	90.3	Very high	39 Å²	39	60.3 Å²	60.3	17%	0.171	30%	0.301	C	S	.	.	H	α-helix	trans	-73.7	-46	175.5	-179	-107.3	0	0	0	111.7	H692 Q693 F694 L698 L699 I700 I717 V721 P722 L725	H692-F696 WeakPolarHBondContact O-CB 3.34Å; H692-F696 PolarHBondContact O-N 2.88Å; Q693-F696 PolarHBondContact O-N 2.97Å; F694-F696 VanDerWaalsContact C-N 3.31Å; F694-F696 PolarHBondContact O-N 2.85Å; F696-L698 PolarHBondContact O-N 3Å; F696-L699 PolarHBondContact O-N 2.91Å; F696-I700 HydrophobicContact CD1-CD1 3.93Å; F696-I700 HydrophobicContact CE1-CD1 3.5Å; F696-I700 VanDerWaalsContact CE1-CD1 3.5Å; F696-I700 HydrophobicContact CE2-CD1 4.27Å; F696-I700 HydrophobicContact CG-CD1 4.5Å; F696-I700 HydrophobicContact CZ-CD1 3.69Å; F696-I700 HydrophobicContact CZ-CG1 4.49Å; F696-I700 WeakPolarHBondContact O-CG1 3.42Å; F696-I700 PolarHBondContact O-N 3.5Å; F696-I717 HydrophobicContact CB-CG2 4.19Å; F696-I717 HydrophobicContact CD2-CG2 4.18Å; F696-V721 HydrophobicContact CB-CG1 3.84Å; F696-V721 HydrophobicContact CD2-CG1 4.46Å; F696-V721 HydrophobicContact CG-CG1 4.27Å; F696-P722 HydrophobicContact CD2-CG 4.2Å; F696-P722 HydrophobicContact CE2-CG 3.51Å; F696-P722 HydrophobicContact CZ-CG 3.8Å; F696-L725 HydrophobicContact CB-CD1 4.38Å; F696-L725 HydrophobicContact CD1-CD1 4.16Å; F696-L725 HydrophobicContact CG-CD1 4.4Å
697	D	93.1	Very high	90.3	Very high	56 Å²	56	58 Å²	58	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-33.7	173.7	-71.5	-41.8	0	0	0	112.3	Q693 F694 K701	Q693-D697 VanDerWaalsContact NE2-CG 3.29Å; Q693-D697 PolarHBondContact NE2-OD1 2.95Å; Q693-D697 PolarHBondContact NE2-OD2 3.22Å; Q693-D697 PolarHBondContact O-N 3.1Å; F694-D697 PolarHBondContact O-N 3.09Å; D697-K701 VanDerWaalsContact O-CD 3.32Å; D697-K701 WeakPolarHBondContact O-CD 3.44Å; D697-K701 WeakPolarHBondContact O-CG 3.27Å; D697-K701 PolarHBondContact O-N 2.97Å
698	L	92.8	Very high	90.1	Very high	12 Å²	12	62.1 Å²	62.1	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-73.9	-40.1	175.3	-175.9	67.7	0	0	0	112	F508 L512 F694 F696 K701 S702 V705 V707 F709	F508-L698 HydrophobicContact CZ-CD1 4.08Å; L512-L698 HydrophobicContact CB-CD2 4.42Å; L512-L698 HydrophobicContact CD1-CD1 3.91Å; L512-L698 HydrophobicContact CD1-CD2 3.85Å; F694-L698 HydrophobicContact CE1-CD2 3.82Å; F694-L698 HydrophobicContact CZ-CD2 4.39Å; F694-L698 WeakPolarHBondContact O-CB 3.25Å; F694-L698 PolarHBondContact O-N 2.73Å; F696-L698 PolarHBondContact O-N 3Å; L698-K701 CarbonylContact O-C 3.46Å; L698-K701 PolarHBondContact O-N 3.23Å; L698-S702 WeakPolarHBondContact O-CA 3.44Å; L698-S702 PolarHBondContact O-N 3.38Å; L698-V705 HydrophobicContact CD1-CG2 4.13Å; L698-V707 HydrophobicContact CD1-CB 4.45Å; L698-V707 HydrophobicContact CD1-CG1 4.45Å; L698-V707 HydrophobicContact CD1-CG2 4.33Å; L698-V707 HydrophobicContact CD2-CG1 4.17Å; L698-V707 HydrophobicContact CG-CG1 4.31Å; L698-F709 HydrophobicContact CB-CZ 4.02Å; L698-F709 HydrophobicContact CD2-CE2 4.29Å; L698-F709 HydrophobicContact CD2-CZ 3.78Å; L698-F709 HydrophobicContact CG-CE2 3.92Å; L698-F709 HydrophobicContact CG-CZ 3.69Å
699	L	93.2	Very high	90.1	Very high	30 Å²	30	63.6 Å²	63.6	16%	0.157	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-45.6	176	-179.9	66.3	0	0	0	111.2	T695 F696 K701 S702 F709 A714 I717	T695-L699 WeakPolarHBondContact O-CB 3.31Å; T695-L699 PolarHBondContact O-N 3.05Å; F696-L699 PolarHBondContact O-N 2.91Å; L699-K701 PolarHBondContact O-N 3.42Å; L699-S702 VanDerWaalsContact O-CB 3.27Å; L699-S702 WeakPolarHBondContact O-CB 3.28Å; L699-S702 PolarHBondContact O-N 3.47Å; L699-S702 PolarHBondContact O-OG 3.02Å; L699-F709 HydrophobicContact CB-CE1 4.17Å; L699-F709 HydrophobicContact CB-CE2 4.23Å; L699-F709 HydrophobicContact CB-CZ 3.96Å; L699-F709 HydrophobicContact CD1-CB 3.9Å; L699-F709 HydrophobicContact CD1-CD1 3.89Å; L699-F709 HydrophobicContact CD1-CD2 3.76Å; L699-F709 HydrophobicContact CD1-CE1 4.31Å; L699-F709 HydrophobicContact CD1-CE2 4.19Å; L699-F709 HydrophobicContact CD1-CG 3.58Å; L699-F709 HydrophobicContact CD1-CZ 4.43Å; L699-A714 HydrophobicContact CD1-CB 4.26Å; L699-I717 HydrophobicContact CB-CG2 4.09Å; L699-I717 HydrophobicContact CD2-CB 3.91Å; L699-I717 HydrophobicContact CD2-CG2 3.58Å; L699-I717 HydrophobicContact CG-CG2 4.47Å
700	I	91.1	Very high	90.3	Very high	105 Å²	105	57.9 Å²	57.9	54%	0.538	30%	0.295	S	S	.	.	H	α-helix	trans	-58.3	-35.1	175.9	-69.5	168.3	0	0	0	111.6	F696	F696-I700 HydrophobicContact CD1-CD1 3.93Å; F696-I700 HydrophobicContact CE1-CD1 3.5Å; F696-I700 VanDerWaalsContact CE1-CD1 3.5Å; F696-I700 HydrophobicContact CE2-CD1 4.27Å; F696-I700 HydrophobicContact CG-CD1 4.5Å; F696-I700 HydrophobicContact CZ-CD1 3.69Å; F696-I700 HydrophobicContact CZ-CG1 4.49Å; F696-I700 WeakPolarHBondContact O-CG1 3.42Å; F696-I700 PolarHBondContact O-N 3.5Å
701	K	89.8	Confident	90.1	Very high	106 Å²	106	59.5 Å²	59.5	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-97.2	-0.8	-176.3	-65.7	166.6	-168.7	151	0	113.6	D697 L698 L699 H703 M704 V705	D697-K701 VanDerWaalsContact O-CD 3.32Å; D697-K701 WeakPolarHBondContact O-CD 3.44Å; D697-K701 WeakPolarHBondContact O-CG 3.27Å; D697-K701 PolarHBondContact O-N 2.97Å; L698-K701 CarbonylContact O-C 3.46Å; L698-K701 PolarHBondContact O-N 3.23Å; L699-K701 PolarHBondContact O-N 3.42Å; K701-H703 PolarHBondContact O-N 3.42Å; K701-M704 WeakPolarHBondContact O-CA 3.17Å; K701-M704 WeakPolarHBondContact O-CB 3.27Å; K701-M704 PolarHBondContact O-N 3.28Å; K701-V705 HydrophobicContact CB-CG1 4.49Å; K701-V705 WeakPolarHBondContact O-CG2 3.3Å; K701-V705 PolarHBondContact O-N 3.24Å
702	S	86.3	Confident	89.9	Confident	13 Å²	13	59.5 Å²	59.5	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-45.5	-56	-172.3	51.5	0	0	0	0	113.2	L698 L699 M704 V705 S706 V707	L698-S702 WeakPolarHBondContact O-CA 3.44Å; L698-S702 PolarHBondContact O-N 3.38Å; L699-S702 VanDerWaalsContact O-CB 3.27Å; L699-S702 WeakPolarHBondContact O-CB 3.28Å; L699-S702 PolarHBondContact O-N 3.47Å; L699-S702 PolarHBondContact O-OG 3.02Å; S702-M704 PolarHBondContact O-N 3.1Å; S702-V705 PolarHBondContact O-N 3.09Å; S702-S706 PolarHBondContact O-N 3.38Å; S702-V707 WeakPolarHBondContact CB-O 3.31Å; S702-V707 PolarHBondContact O-N 2.82Å
703	H	77.9	Confident	89.8	Confident	174 Å²	174	59.5 Å²	59.5	81%	0.806	30%	0.302	S	S	*	.	H	α-helix	trans	-60.8	-24.4	177.9	-59.6	-59.3	0	0	0	114.6	K701	K701-H703 PolarHBondContact O-N 3.42Å
704	M	79	Confident	89.7	Confident	167 Å²	167	57.1 Å²	57.1	82%	0.823	30%	0.295	S	S	*	.	H	α-helix	trans	-87.5	-16.1	177.2	-58.2	-175.3	75	0	0	113.3	K701 S702	K701-M704 WeakPolarHBondContact O-CA 3.17Å; K701-M704 WeakPolarHBondContact O-CB 3.27Å; K701-M704 PolarHBondContact O-N 3.28Å; S702-M704 PolarHBondContact O-N 3.1Å
705	V	83.9	Confident	89.6	Confident	42 Å²	42	58.2 Å²	58.2	26%	0.255	30%	0.301	S	S	.	.	H	α-helix	trans	-121.8	4.3	-174.5	-54.7	0	0	0	0	113.8	F508 L698 K701 S702 V707	F508-V705 HydrophobicContact CE1-CB 3.91Å; F508-V705 HydrophobicContact CE1-CG1 4.48Å; F508-V705 HydrophobicContact CE1-CG2 4.03Å; L698-V705 HydrophobicContact CD1-CG2 4.13Å; K701-V705 HydrophobicContact CB-CG1 4.49Å; K701-V705 WeakPolarHBondContact O-CG2 3.3Å; K701-V705 PolarHBondContact O-N 3.24Å; S702-V705 PolarHBondContact O-N 3.09Å; V705-V707 VanDerWaalsContact C-N 3.32Å; V705-V707 HydrophobicContact CG2-CB 3.98Å; V705-V707 HydrophobicContact CG2-CG2 3.8Å; V705-V707 PolarHBondContact O-N 2.85Å
706	S	86.9	Confident	89.4	Confident	92 Å²	92	57.9 Å²	57.9	64%	0.643	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	45.8	-177.5	-53.2	0	0	0	0	113.2	A509 S702	A509-S706 VanDerWaalsContact CB-O 3.3Å; A509-S706 WeakPolarHBondContact CB-O 3.39Å; S702-S706 PolarHBondContact O-N 3.38Å
707	V	90.8	Very high	89.3	Confident	6 Å²	6	56 Å²	56	4%	0.036	29%	0.291	C	S	.	.			trans	-108.2	125.6	173.2	170.2	0	0	0	0	109.6	F508 A509 L512 L698 S702 V705 F709	F508-V707 HydrophobicContact CE1-CG2 4.08Å; A509-V707 HydrophobicContact CB-CG2 4.45Å; L512-V707 HydrophobicContact CB-CG1 3.85Å; L512-V707 HydrophobicContact CB-CG2 3.9Å; L512-V707 HydrophobicContact CD1-CG2 4.25Å; L698-V707 HydrophobicContact CD1-CB 4.45Å; L698-V707 HydrophobicContact CD1-CG1 4.45Å; L698-V707 HydrophobicContact CD1-CG2 4.33Å; L698-V707 HydrophobicContact CD2-CG1 4.17Å; L698-V707 HydrophobicContact CG-CG1 4.31Å; S702-V707 WeakPolarHBondContact CB-O 3.31Å; S702-V707 PolarHBondContact O-N 2.82Å; V705-V707 VanDerWaalsContact C-N 3.32Å; V705-V707 HydrophobicContact CG2-CB 3.98Å; V705-V707 HydrophobicContact CG2-CG2 3.8Å; V705-V707 PolarHBondContact O-N 2.85Å; V707-F709 HydrophobicContact CG1-CD2 4.29Å; V707-F709 HydrophobicContact CG1-CE2 3.87Å
708	D	89.9	Confident	89.1	Confident	101 Å²	101	56.1 Å²	56.1	54%	0.54	30%	0.295	S	S	.	.			trans	-84.8	142.8	-176.7	-49	-76.5	0	0	0	110.9	S513 N516	S513-D708 WeakPolarHBondContact CB-OD2 3.33Å; S513-D708 PolarHBondContact OG-N 3.3Å; S513-D708 PolarHBondContact OG-OD2 3.35Å; N516-D708 WeakPolarHBondContact CB-O 3.31Å; N516-D708 PolarHBondContact ND2-O 2.97Å
709	F	92.5	Very high	88.9	Confident	35 Å²	35	58.8 Å²	58.8	15%	0.154	31%	0.312	C	S	.	.			trans	-128.4	117.6	174.7	-80.2	-95.5	0	0	0	109.1	N516 L698 L699 V707 A714 I717	N516-F709 WeakPolarHBondContact ND2-CD1 3.46Å; N516-F709 WeakPolarHBondContact ND2-CE1 3.36Å; N516-F709 WeakPolarHBondContact ND2-CZ 3.07Å; L698-F709 HydrophobicContact CB-CZ 4.02Å; L698-F709 HydrophobicContact CD2-CE2 4.29Å; L698-F709 HydrophobicContact CD2-CZ 3.78Å; L698-F709 HydrophobicContact CG-CE2 3.92Å; L698-F709 HydrophobicContact CG-CZ 3.69Å; L699-F709 HydrophobicContact CB-CE1 4.17Å; L699-F709 HydrophobicContact CB-CE2 4.23Å; L699-F709 HydrophobicContact CB-CZ 3.96Å; L699-F709 HydrophobicContact CD1-CB 3.9Å; L699-F709 HydrophobicContact CD1-CD1 3.89Å; L699-F709 HydrophobicContact CD1-CD2 3.76Å; L699-F709 HydrophobicContact CD1-CE1 4.31Å; L699-F709 HydrophobicContact CD1-CE2 4.19Å; L699-F709 HydrophobicContact CD1-CG 3.58Å; L699-F709 HydrophobicContact CD1-CZ 4.43Å; V707-F709 HydrophobicContact CG1-CD2 4.29Å; V707-F709 HydrophobicContact CG1-CE2 3.87Å; F709-A714 HydrophobicContact CB-CB 4.22Å; F709-I717 HydrophobicContact CD1-CD1 4.12Å; F709-I717 HydrophobicContact CE1-CD1 3.89Å
710	P	93.4	Very high	88.5	Confident	23 Å²	23	58.3 Å²	58.3	15%	0.149	31%	0.309	C	S	.	.			trans	-63	148.7	174.3	-21.8	32.8	0	0	0	112.5	E517 E520 M712 M713 A714	E517-P710 HydrophobicContact CG-CG 4.45Å; E520-P710 HydrophobicContact CB-CB 3.86Å; E520-P710 HydrophobicContact CB-CG 4.02Å; E520-P710 HydrophobicContact CG-CB 4.12Å; E520-P710 WeakPolarHBondContact OE1-CB 3.39Å; E520-P710 WeakPolarHBondContact OE2-CB 3.28Å; P710-M712 PolarHBondContact O-N 3.33Å; P710-M713 PolarHBondContact O-N 3.32Å; P710-A714 PolarHBondContact O-N 3.47Å
711	E	89.6	Confident	88.3	Confident	119 Å²	119	53.3 Å²	53.3	56%	0.556	28%	0.284	S	S	*	.	H	α-helix	trans	-50.7	-51.1	-172	-175.5	177.6	-162.4	0	0	112.5	S242 M713 A714 E715	S242-E711 WeakPolarHBondContact CB-OE2 3.46Å; S242-E711 PolarHBondContact OG-OE2 3.37Å; S242-E711 VanDerWaalsContact OG-OE2 3.12Å; E711-M713 PolarHBondContact O-N 3.3Å; E711-A714 PolarHBondContact O-N 3.09Å; E711-E715 WeakPolarHBondContact O-CB 3.49Å; E711-E715 PolarHBondContact O-N 2.86Å
712	M	89.3	Confident	88.2	Confident	5 Å²	5	50 Å²	50	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-27.7	-177.4	-173.5	-170.6	-57.1	0	0	113	S243 W245 L248 E520 L523 V524 P710 I716	S243-M712 VanDerWaalsContact O-CE 3.27Å; S243-M712 WeakPolarHBondContact O-CE 3.23Å; S243-M712 WeakPolarHBondContact OG-CE 3.46Å; W245-M712 HydrophobicContact CG-CG 4.24Å; W245-M712 VanDerWaalsContact NE1-CG 3.26Å; W245-M712 PolarHBondContact NE1-O 3.07Å; W245-M712 VanDerWaalsContact NE1-O 3.08Å; L248-M712 HydrophobicContact CD1-CE 3.75Å; L248-M712 HydrophobicContact CD1-SD 3.91Å; L248-M712 HydrophobicContact CG-CE 4.48Å; E520-M712 HydrophobicContact CG-CB 4.04Å; E520-M712 HydrophobicContact CG-CE 4.37Å; E520-M712 HydrophobicContact CG-SD 4.17Å; E520-M712 WeakPolarHBondContact OE1-CB 3.19Å; E520-M712 PolarHBondContact OE1-N 3.46Å; L523-M712 HydrophobicContact CB-SD 4.18Å; V524-M712 HydrophobicContact CG2-CE 3.7Å; V524-M712 HydrophobicContact CG2-SD 3.93Å; P710-M712 PolarHBondContact O-N 3.33Å; M712-I716 WeakPolarHBondContact O-CD1 3.48Å; M712-I716 WeakPolarHBondContact O-CG1 3.28Å
713	M	90.8	Very high	88	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.034	28%	0.283	C	S	.	.	H	α-helix	trans	-87.8	-39.7	180	-172.4	168.4	173	0	0	111.1	N516 L523 W552 P710 E711 E715 I716 I717	N516-M713 HydrophobicContact CB-SD 4.18Å; L523-M713 HydrophobicContact CD1-CB 4.34Å; L523-M713 HydrophobicContact CD1-CG 4.49Å; W552-M713 HydrophobicContact CH2-CE 3.99Å; W552-M713 HydrophobicContact CZ3-CE 4.04Å; P710-M713 PolarHBondContact O-N 3.32Å; E711-M713 PolarHBondContact O-N 3.3Å; M713-E715 VanDerWaalsContact C-N 3.31Å; M713-E715 PolarHBondContact O-N 3.13Å; M713-I716 PolarHBondContact O-N 3.37Å; M713-I717 HydrophobicContact CE-CD1 4.01Å; M713-I717 HydrophobicContact CG-CD1 3.73Å; M713-I717 WeakPolarHBondContact O-CD1 3.3Å; M713-I717 VanDerWaalsContact O-CG1 3.27Å; M713-I717 WeakPolarHBondContact O-CG1 3.28Å; M713-I717 PolarHBondContact O-N 3.48Å; M713-I717 VanDerWaalsContact O-N 3.08Å
714	A	92.1	Very high	88.1	Confident	23 Å²	23	45.6 Å²	45.6	19%	0.19	25%	0.25	C	S	.	.	H	α-helix	trans	-60.5	-39.1	173.3	0	0	0	0	0	112.1	L699 F709 P710 E711 I717 S718	L699-A714 HydrophobicContact CD1-CB 4.26Å; F709-A714 HydrophobicContact CB-CB 4.22Å; P710-A714 PolarHBondContact O-N 3.47Å; E711-A714 PolarHBondContact O-N 3.09Å; A714-I717 PolarHBondContact O-N 2.92Å; A714-S718 VanDerWaalsContact O-CB 3.3Å; A714-S718 WeakPolarHBondContact O-CB 3.39Å; A714-S718 PolarHBondContact O-N 3.46Å; A714-S718 PolarHBondContact O-OG 2.96Å
715	E	91.4	Very high	88.3	Confident	59 Å²	59	38.9 Å²	38.9	28%	0.276	22%	0.218	S	C	.	.	H	α-helix	trans	-58.5	-52.3	175.2	-168.3	-170.1	158.9	0	0	112	E711 M713 I717 S718 V719	E711-E715 WeakPolarHBondContact O-CB 3.49Å; E711-E715 PolarHBondContact O-N 2.86Å; M713-E715 VanDerWaalsContact C-N 3.31Å; M713-E715 PolarHBondContact O-N 3.13Å; E715-I717 PolarHBondContact O-N 2.66Å; E715-S718 PolarHBondContact O-N 2.69Å; E715-S718 PolarHBondContact O-OG 3.21Å; E715-S718 VanDerWaalsContact O-OG 3.13Å; E715-V719 WeakPolarHBondContact O-CB 3Å; E715-V719 WeakPolarHBondContact O-CG2 3.47Å; E715-V719 PolarHBondContact O-N 2.64Å
716	I	89.4	Confident	88.1	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-43.9	179.5	-51	158.5	0	0	0	110.9	W245 L523 Q549 M712 M713 Q720 V721	W245-I716 HydrophobicContact CZ2-CD1 3.55Å; W245-I716 HydrophobicContact CZ2-CG1 3.89Å; W245-I716 VanDerWaalsContact NE1-CG1 3.26Å; L523-I716 HydrophobicContact CD1-CD1 3.5Å; L523-I716 HydrophobicContact CD2-CD1 3.92Å; L523-I716 HydrophobicContact CG-CD1 4.37Å; Q549-I716 HydrophobicContact CB-CG2 4.44Å; M712-I716 WeakPolarHBondContact O-CD1 3.48Å; M712-I716 WeakPolarHBondContact O-CG1 3.28Å; M713-I716 PolarHBondContact O-N 3.37Å; I716-Q720 HydrophobicContact CG2-CB 4.21Å; I716-Q720 HydrophobicContact CG2-CG 4.31Å; I716-Q720 WeakPolarHBondContact O-CA 3.48Å; I716-Q720 WeakPolarHBondContact O-CB 3.49Å; I716-Q720 PolarHBondContact O-N 2.83Å; I716-V721 PolarHBondContact O-N 3.09Å
717	I	91.4	Very high	87.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-41	-175.9	-65.1	166	0	0	0	110.7	W552 F696 L699 F709 M713 A714 E715 V721 P722	W552-I717 HydrophobicContact CH2-CD1 4.34Å; W552-I717 HydrophobicContact CH2-CG1 4.28Å; W552-I717 HydrophobicContact CZ2-CG1 4.06Å; F696-I717 HydrophobicContact CB-CG2 4.19Å; F696-I717 HydrophobicContact CD2-CG2 4.18Å; L699-I717 HydrophobicContact CB-CG2 4.09Å; L699-I717 HydrophobicContact CD2-CB 3.91Å; L699-I717 HydrophobicContact CD2-CG2 3.58Å; L699-I717 HydrophobicContact CG-CG2 4.47Å; F709-I717 HydrophobicContact CD1-CD1 4.12Å; F709-I717 HydrophobicContact CE1-CD1 3.89Å; M713-I717 HydrophobicContact CE-CD1 4.01Å; M713-I717 HydrophobicContact CG-CD1 3.73Å; M713-I717 WeakPolarHBondContact O-CD1 3.3Å; M713-I717 VanDerWaalsContact O-CG1 3.27Å; M713-I717 WeakPolarHBondContact O-CG1 3.28Å; M713-I717 PolarHBondContact O-N 3.48Å; M713-I717 VanDerWaalsContact O-N 3.08Å; A714-I717 PolarHBondContact O-N 2.92Å; E715-I717 PolarHBondContact O-N 2.66Å; I717-V721 HydrophobicContact CB-CG2 4.46Å; I717-V721 HydrophobicContact CG1-CG2 4.41Å; I717-V721 HydrophobicContact CG2-CG2 4.48Å; I717-V721 WeakPolarHBondContact O-CB 3.47Å; I717-P722 WeakPolarHBondContact O-CD 3.4Å
718	S	90.6	Very high	85.9	Confident	57 Å²	57	41.7 Å²	41.7	40%	0.399	23%	0.232	S	C	.	.	H	α-helix	trans	-70.5	-42.7	177.2	55.9	0	0	0	0	112.7	A714 E715 P722	A714-S718 VanDerWaalsContact O-CB 3.3Å; A714-S718 WeakPolarHBondContact O-CB 3.39Å; A714-S718 PolarHBondContact O-N 3.46Å; A714-S718 PolarHBondContact O-OG 2.96Å; E715-S718 PolarHBondContact O-N 2.69Å; E715-S718 PolarHBondContact O-OG 3.21Å; E715-S718 VanDerWaalsContact O-OG 3.13Å; S718-P722 WeakPolarHBondContact O-CG 3.47Å
719	V	87.9	Confident	84.5	Confident	68 Å²	68	37.7 Å²	37.7	41%	0.412	21%	0.211	S	C	.	.	H	α-helix	trans	-87.7	-39.8	-172.4	178.4	0	0	0	0	113.6	E715 K723	E715-V719 WeakPolarHBondContact O-CB 3Å; E715-V719 WeakPolarHBondContact O-CG2 3.47Å; E715-V719 PolarHBondContact O-N 2.64Å; V719-K723 WeakPolarHBondContact O-CE 3.34Å; V719-K723 PolarHBondContact O-NZ 3.43Å
720	Q	85.1	Confident	83.2	Confident	21 Å²	21	41 Å²	41	10%	0.098	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-36.6	-167.5	-52.4	-64.7	24.9	0	0	113.5	Q549 Y550 I716 K723 I724	Q549-Q720 HydrophobicContact CB-CG 4.3Å; Y550-Q720 HydrophobicContact CD1-CB 4.43Å; Y550-Q720 HydrophobicContact CE1-CB 3.98Å; Y550-Q720 PolarHBondContact OH-OE1 2.67Å; I716-Q720 HydrophobicContact CG2-CB 4.21Å; I716-Q720 HydrophobicContact CG2-CG 4.31Å; I716-Q720 WeakPolarHBondContact O-CA 3.48Å; I716-Q720 WeakPolarHBondContact O-CB 3.49Å; I716-Q720 PolarHBondContact O-N 2.83Å; Q720-K723 WeakPolarHBondContact O-CB 3.32Å; Q720-K723 PolarHBondContact O-N 3.25Å; Q720-I724 PolarHBondContact O-N 2.9Å
721	V	86.1	Confident	81.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-40.5	-178.2	171.1	0	0	0	0	113.4	H692 F696 I716 I717 K723 I724 L725	H692-V721 HydrophobicContact CB-CG1 3.85Å; H692-V721 HydrophobicContact CB-CG2 4.34Å; F696-V721 HydrophobicContact CB-CG1 3.84Å; F696-V721 HydrophobicContact CD2-CG1 4.46Å; F696-V721 HydrophobicContact CG-CG1 4.27Å; I716-V721 PolarHBondContact O-N 3.09Å; I717-V721 HydrophobicContact CB-CG2 4.46Å; I717-V721 HydrophobicContact CG1-CG2 4.41Å; I717-V721 HydrophobicContact CG2-CG2 4.48Å; I717-V721 WeakPolarHBondContact O-CB 3.47Å; V721-K723 PolarHBondContact O-N 3.27Å; V721-I724 HydrophobicContact CG2-CD1 4.48Å; V721-I724 WeakPolarHBondContact O-CB 3.47Å; V721-I724 PolarHBondContact O-N 2.99Å; V721-L725 HydrophobicContact CG1-CD1 3.54Å; V721-L725 HydrophobicContact CG1-CG 3.86Å; V721-L725 WeakPolarHBondContact O-CG 3.17Å; V721-L725 PolarHBondContact O-N 3.42Å
722	P	87.2	Confident	80.8	Confident	35 Å²	35	37.5 Å²	37.5	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-53.6	-37.1	171.5	-30.7	37.3	0	0	0	114	F696 I717 S718 L725 S726	F696-P722 HydrophobicContact CD2-CG 4.2Å; F696-P722 HydrophobicContact CE2-CG 3.51Å; F696-P722 HydrophobicContact CZ-CG 3.8Å; I717-P722 WeakPolarHBondContact O-CD 3.4Å; S718-P722 WeakPolarHBondContact O-CG 3.47Å; P722-L725 PolarHBondContact O-N 3.44Å; P722-S726 VanDerWaalsContact O-CB 3.25Å; P722-S726 WeakPolarHBondContact O-CB 3.49Å; P722-S726 PolarHBondContact O-N 3.24Å; P722-S726 PolarHBondContact O-OG 3.41Å; P722-S726 VanDerWaalsContact O-OG 3.13Å
723	K	82.3	Confident	80	Confident	70 Å²	70	41 Å²	41	30%	0.304	23%	0.225	S	C	.	.	H	α-helix	trans	-71.8	-33.4	179.2	-54.6	172.1	-170.3	157	0	112	V719 Q720 V721 K728 V729	V719-K723 WeakPolarHBondContact O-CE 3.34Å; V719-K723 PolarHBondContact O-NZ 3.43Å; Q720-K723 WeakPolarHBondContact O-CB 3.32Å; Q720-K723 PolarHBondContact O-N 3.25Å; V721-K723 PolarHBondContact O-N 3.27Å; K723-K728 HydrophobicContact CB-CB 4.42Å; K723-K728 WeakPolarHBondContact O-CB 3.33Å; K723-K728 PolarHBondContact O-N 3.12Å; K723-V729 PolarHBondContact O-N 2.7Å
724	I	79.8	Confident	79.1	Confident	25 Å²	25	42.9 Å²	42.9	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-68.4	-50.2	172.2	-56.7	172.1	0	0	0	109.9	Y550 Q720 V721 S726 G727	Y550-I724 HydrophobicContact CD1-CD1 3.96Å; Y550-I724 HydrophobicContact CD1-CG1 3.77Å; Y550-I724 HydrophobicContact CE1-CG1 4.22Å; Q720-I724 PolarHBondContact O-N 2.9Å; V721-I724 HydrophobicContact CG2-CD1 4.48Å; V721-I724 WeakPolarHBondContact O-CB 3.47Å; V721-I724 PolarHBondContact O-N 2.99Å; I724-S726 PolarHBondContact O-N 3.08Å; I724-G727 PolarHBondContact O-N 3.38Å; I724-G727 VanDerWaalsContact O-N 3.11Å
725	L	83.8	Confident	78.3	Confident	27 Å²	27	44.2 Å²	44.2	14%	0.141	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-39.8	-175.2	-66.8	174	0	0	0	112.2	R689 H692 Q693 F696 V721 P722 G727	R689-L725 HydrophobicContact CG-CD2 4.35Å; R689-L725 PolarHBondContact NH2-O 2.86Å; H692-L725 HydrophobicContact CB-CD2 4.49Å; Q693-L725 HydrophobicContact CB-CD2 3.97Å; F696-L725 HydrophobicContact CB-CD1 4.38Å; F696-L725 HydrophobicContact CD1-CD1 4.16Å; F696-L725 HydrophobicContact CG-CD1 4.4Å; V721-L725 HydrophobicContact CG1-CD1 3.54Å; V721-L725 HydrophobicContact CG1-CG 3.86Å; V721-L725 WeakPolarHBondContact O-CG 3.17Å; V721-L725 PolarHBondContact O-N 3.42Å; P722-L725 PolarHBondContact O-N 3.44Å; L725-G727 PolarHBondContact O-N 2.99Å
726	S	80.6	Confident	77	Confident	70 Å²	70	48.2 Å²	48.2	49%	0.49	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	3.8	175.1	81.1	0	0	0	0	114.3	P722 I724 K728	P722-S726 VanDerWaalsContact O-CB 3.25Å; P722-S726 WeakPolarHBondContact O-CB 3.49Å; P722-S726 PolarHBondContact O-N 3.24Å; P722-S726 PolarHBondContact O-OG 3.41Å; P722-S726 VanDerWaalsContact O-OG 3.13Å; I724-S726 PolarHBondContact O-N 3.08Å; S726-K728 VanDerWaalsContact C-N 3.25Å; S726-K728 PolarHBondContact O-N 3.23Å; S726-K728 WeakPolarHBondContact OG-CG 3.18Å
727	G	69.6	Low	75.1	Confident	29 Å²	29	57.9 Å²	57.9	30%	0.299	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	15.8	177	0	0	0	0	0	115.7	I724 L725 V729	I724-G727 PolarHBondContact O-N 3.38Å; I724-G727 VanDerWaalsContact O-N 3.11Å; L725-G727 PolarHBondContact O-N 2.99Å; G727-V729 PolarHBondContact O-N 2.7Å
728	K	61.1	Low	74.3	Confident	99 Å²	99	60.8 Å²	60.8	43%	0.43	32%	0.324	S	S	.	.	S	Bend	trans	-67	-24.5	171.5	-69.8	171.5	-178.2	176.5	0	110.8	S56 K723 S726	S56-K728 PolarHBondContact O-NZ 2.83Å; K723-K728 HydrophobicContact CB-CB 4.42Å; K723-K728 WeakPolarHBondContact O-CB 3.33Å; K723-K728 PolarHBondContact O-N 3.12Å; S726-K728 VanDerWaalsContact C-N 3.25Å; S726-K728 PolarHBondContact O-N 3.23Å; S726-K728 WeakPolarHBondContact OG-CG 3.18Å
729	V	61.8	Low	73.5	Confident	18 Å²	18	61 Å²	61	11%	0.109	32%	0.32	C	S	.	.	S	Bend	trans	-114.6	140.2	168.7	-176.8	0	0	0	0	109.3	Y550 I626 K723 G727	Y550-V729 HydrophobicContact CD1-CG1 4.46Å; Y550-V729 HydrophobicContact CD1-CG2 4.16Å; Y550-V729 HydrophobicContact CE1-CG2 3.74Å; Y550-V729 HydrophobicContact CE2-CG2 4.21Å; Y550-V729 HydrophobicContact CG-CG1 4.35Å; I626-V729 HydrophobicContact CG2-CG1 3.73Å; K723-V729 PolarHBondContact O-N 2.7Å; G727-V729 PolarHBondContact O-N 2.7Å
730	K	65.1	Low	72.7	Confident	103 Å²	103	60.6 Å²	60.6	45%	0.448	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.6	178.7	-67.7	175.4	179.3	171.7	0	110.3	K627 F631	K627-K730 CarbonylContact C-O 3.25Å; K627-K730 PolarHBondContact N-O 2.91Å; F631-K730 PolarHBondContact O-NZ 3.41Å
731	P	63.7	Low	71.9	Confident	43 Å²	43	62.9 Å²	62.9	28%	0.279	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	152.4	174.2	29.3	-35	0	0	0	111.1	Q685 Y733	Q685-P731 HydrophobicContact CB-CB 4.35Å; Q685-P731 HydrophobicContact CB-CG 4.36Å; Q685-P731 HydrophobicContact CG-CB 3.95Å; Q685-P731 HydrophobicContact CG-CG 4.41Å; P731-Y733 HydrophobicContact CG-CD2 4.44Å; P731-Y733 HydrophobicContact CG-CE1 4.25Å; P731-Y733 HydrophobicContact CG-CE2 3.75Å; P731-Y733 PolarHBondContact O-N 3.38Å
732	I	67.3	Low	71	Confident	26 Å²	26	66.9 Å²	66.9	13%	0.133	35%	0.349	C	S	.	.			trans	-84.2	101.4	166	-53	167.9	0	0	0	107.1	S625 K627 F645 R649	S625-I732 PolarHBondContact O-N 3.33Å; K627-I732 HydrophobicContact CB-CD1 4.2Å; K627-I732 HydrophobicContact CB-CG1 3.5Å; K627-I732 VanDerWaalsContact CB-CG1 3.5Å; K627-I732 HydrophobicContact CD-CG1 4.24Å; K627-I732 HydrophobicContact CG-CD1 3.9Å; K627-I732 HydrophobicContact CG-CG1 3.63Å; F645-I732 HydrophobicContact CE1-CD1 4.34Å; R649-I732 VanDerWaalsContact NH2-CG2 3.34Å
733	Y	73.3	Confident	70	Confident	80 Å²	80	69 Å²	69	31%	0.314	36%	0.357	S	S	.	.			trans	-70.8	142.6	160.9	-59.6	-69.3	0	0	0	109.9	D682 Q685 P731 H735 Q737	D682-Y733 HydrophobicContact CB-CD1 3.98Å; D682-Y733 WeakPolarHBondContact OD1-CA 3.41Å; Q685-Y733 HydrophobicContact CB-CE1 3.71Å; Q685-Y733 HydrophobicContact CG-CD1 4.24Å; Q685-Y733 HydrophobicContact CG-CE1 3.77Å; P731-Y733 HydrophobicContact CG-CD2 4.44Å; P731-Y733 HydrophobicContact CG-CE1 4.25Å; P731-Y733 HydrophobicContact CG-CE2 3.75Å; P731-Y733 PolarHBondContact O-N 3.38Å; Y733-H735 VanDerWaalsContact C-N 3.3Å; Y733-H735 WeakPolarHBondContact CB-O 3.49Å; Y733-Q737 PolarHBondContact OH-NE2 2.98Å
734	F	71.4	Confident	69.1	Low	45 Å²	45	68.9 Å²	68.9	20%	0.197	36%	0.36	C	S	.	.	S	Bend	trans	-76.6	-22.7	170.8	-72.6	-95.4	0	0	0	111.8	L621 S625 I653 T678 L681 D682	L621-F734 HydrophobicContact CD2-CZ 4.4Å; S625-F734 WeakPolarHBondContact OG-CE2 3.36Å; I653-F734 HydrophobicContact CD1-CE1 4.1Å; I653-F734 HydrophobicContact CG1-CE1 4.19Å; T678-F734 HydrophobicContact CG2-CB 4.27Å; T678-F734 HydrophobicContact CG2-CD1 3.51Å; T678-F734 HydrophobicContact CG2-CD2 4.28Å; T678-F734 HydrophobicContact CG2-CE1 3.77Å; T678-F734 HydrophobicContact CG2-CG 3.77Å; T678-F734 HydrophobicContact CG2-CZ 4.27Å; L681-F734 HydrophobicContact CB-CD2 4.25Å; L681-F734 HydrophobicContact CB-CE2 4Å; L681-F734 HydrophobicContact CD1-CE2 3.68Å; L681-F734 HydrophobicContact CD1-CZ 3.96Å; D682-F734 PolarHBondContact OD1-N 3.41Å
735	H	74.7	Confident	68.3	Low	51 Å²	51	72.3 Å²	72.3	24%	0.236	38%	0.378	C	S	.	.	S	Bend	trans	-126.4	155.6	178.1	-45	101.5	0	0	0	111.4	Y675 T678 D682 Y733	Y675-H735 AromaticContact CD2-CD2 3.68Å; Y675-H735 AromaticContact CD2-CE1 3.77Å; Y675-H735 AromaticContact CD2-NE2 3.19Å; Y675-H735 WeakPolarHBondContact CD2-NE2 3.42Å; Y675-H735 AromaticContact CE2-CD2 3.62Å; Y675-H735 AromaticContact CE2-CE1 3.9Å; Y675-H735 AromaticContact CE2-NE2 3.54Å; T678-H735 PolarHBondContact OG1-CE1 3.27Å; T678-H735 PolarHBondContact OG1-NE2 2.85Å; D682-H735 IonicContact OD2-CE1 3.92Å; D682-H735 IonicContact OD2-CG 2.66Å; D682-H735 PolarHBondContact OD2-N 2.91Å; D682-H735 IonicContact OD2-ND1 3.98Å; D682-H735 PolarHBondContact OD2-ND1 3.49Å; Y733-H735 VanDerWaalsContact C-N 3.3Å; Y733-H735 WeakPolarHBondContact CB-O 3.49Å
736	T	64.6	Low	67	Low	143 Å²	143	76.1 Å²	76.1	88%	0.877	40%	0.398	S	S	*	.			trans	-65.7	135.2	162.8	47.4	0	0	0	0	109.6
737	Q	50.6	Low	65.7	Low	206 Å²	206	76.6 Å²	76.6	96%	0.963	39%	0.39	S	S	*	.			trans	-75.9	0	171	-65.6	-172.7	-26.1	0	0	111	Y733	Y733-Q737 PolarHBondContact OH-NE2 2.98Å

Retrieved 737 of 737 residues in 324.1 ms (Link to these results)

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