G4VQA2_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession G4VQA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 636 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	36.6	Very low	244 Å²	244	161.1 Å²	161.1	100%	1.202	85%	0.847	S	S	*	*				0	121.4	0	-80.9	174.9	-174.7	0	0	106.4	E3	M1-E3 PolarHBondContact O-N 3.32Å
2	E	36.4	Very low	37.4	Very low	201 Å²	201	162.4 Å²	162.4	94%	0.939	85%	0.849	S	S	*	*			trans	-60.7	126.2	169.9	-67.8	170.1	142	0	0	108.6
3	E	35.2	Very low	38.2	Very low	198 Å²	198	162.9 Å²	162.9	93%	0.925	84%	0.841	S	S	*	*			trans	-127.9	110.7	163	-128	178	-179.8	0	0	109.4	M1	M1-E3 PolarHBondContact O-N 3.32Å
4	S	35.7	Very low	39.5	Very low	111 Å²	111	158.5 Å²	158.5	78%	0.776	82%	0.819	S	S	*	*			trans	-43.5	124.7	178.5	163.6	0	0	0	0	113.6	R6	S4-R6 PolarHBondContact O-N 3.21Å
5	A	37.4	Very low	40.5	Very low	93 Å²	93	157.1 Å²	157.1	77%	0.769	81%	0.807	S	S	*	*			trans	-65.9	110.3	169.6	0	0	0	0	0	110.8	L7	A5-L7 PolarHBondContact O-N 3.17Å
6	R	34.9	Very low	41.4	Very low	238 Å²	238	159.2 Å²	159.2	90%	0.898	80%	0.801	S	S	*	*			trans	-74.9	110.5	169.2	-76.6	-177.5	174.7	-177.6	-0.5	109.8	S4	S4-R6 PolarHBondContact O-N 3.21Å
7	L	35.4	Very low	42.6	Very low	163 Å²	163	157.9 Å²	157.9	85%	0.853	79%	0.792	S	S	*	*			trans	-67.8	134.8	168	-75.1	166	0	0	0	110.4	A5	A5-L7 PolarHBondContact O-N 3.17Å
8	P	35.7	Very low	44	Very low	106 Å²	106	154.8 Å²	154.8	69%	0.688	78%	0.775	S	S	*	*			trans	-78.9	129.4	-175.5	-5.5	22.6	0	0	0	111.8	L10	P8-L10 VanDerWaalsContact C-N 3.33Å; P8-L10 PolarHBondContact O-N 3.46Å
9	M	34.1	Very low	45	Very low	194 Å²	194	154.9 Å²	154.9	96%	0.956	77%	0.77	S	S	*	*			trans	-67.4	83.6	168.6	-79.7	-109.7	-74.8	0	0	111.1
10	L	34.8	Very low	46	Very low	144 Å²	144	153.5 Å²	153.5	75%	0.754	76%	0.76	S	S	*	*			trans	-122	88.3	165.5	-81	159.7	0	0	0	107.8	P8	P8-L10 VanDerWaalsContact C-N 3.33Å; P8-L10 PolarHBondContact O-N 3.46Å
11	S	44.6	Very low	47	Very low	80 Å²	80	155.5 Å²	155.5	56%	0.559	76%	0.759	S	S	*	*			trans	-149.4	-18.6	174.8	174	0	0	0	0	114.4
12	M	45.9	Very low	48.3	Very low	177 Å²	177	149.9 Å²	149.9	87%	0.872	73%	0.728	S	S	*	*	H	α-helix	trans	-86.5	-20	-177.3	-76.5	-156.9	173	0	0	115.7
13	K	48.4	Very low	49.2	Very low	169 Å²	169	149.6 Å²	149.6	74%	0.735	72%	0.718	S	S	*	*	H	α-helix	trans	-78.1	-44.1	178	-88.6	-175.3	173.4	-178.8	0	112.2	H15 R16 E17	K13-H15 VanDerWaalsContact C-N 3.32Å; K13-H15 PolarHBondContact O-N 3.1Å; K13-R16 PolarHBondContact O-N 3.28Å; K13-E17 PolarHBondContact O-N 3.13Å
14	D	56.7	Low	50	Low	101 Å²	101	149 Å²	149	54%	0.54	71%	0.708	S	S	.	*	H	α-helix	trans	-63.8	-36.5	-176.2	-57.9	-17.1	0	0	0	112.5	R16 E17 E18	D14-R16 VanDerWaalsContact C-N 3.3Å; D14-R16 PolarHBondContact O-N 2.73Å; D14-E17 PolarHBondContact O-N 3.04Å; D14-E18 WeakPolarHBondContact O-CB 3.38Å; D14-E18 PolarHBondContact O-N 2.97Å
15	H	54.3	Low	50.9	Low	138 Å²	138	146.5 Å²	146.5	64%	0.639	69%	0.691	S	S	*	*	H	α-helix	trans	-67.7	-26.8	176.3	-88.7	48.4	0	0	0	113.8	K13 K19	K13-H15 VanDerWaalsContact C-N 3.32Å; K13-H15 PolarHBondContact O-N 3.1Å; H15-K19 PolarHBondContact O-N 3.36Å
16	R	54.7	Low	51.2	Low	190 Å²	190	148.2 Å²	148.2	72%	0.717	68%	0.682	S	S	*	*	H	α-helix	trans	-76.2	-41.3	175.3	-106.4	-176.7	176.4	-173.9	-0.1	111	K13 D14 K19 H20	K13-R16 PolarHBondContact O-N 3.28Å; D14-R16 VanDerWaalsContact C-N 3.3Å; D14-R16 PolarHBondContact O-N 2.73Å; R16-K19 PolarHBondContact O-N 3.24Å; R16-H20 PolarHBondContact O-CD2 2.88Å; R16-H20 VanDerWaalsContact O-CD2 3.24Å; R16-H20 PolarHBondContact O-N 3.23Å
17	E	61.3	Low	51.3	Low	138 Å²	138	145.3 Å²	145.3	65%	0.645	67%	0.671	S	S	*	*	H	α-helix	trans	-65.9	-41.2	178.3	-69.6	-170.1	173.6	0	0	112	K13 D14 K19 H20 R21	K13-E17 PolarHBondContact O-N 3.13Å; D14-E17 PolarHBondContact O-N 3.04Å; E17-K19 PolarHBondContact O-N 3.36Å; E17-H20 PolarHBondContact O-N 3.03Å; E17-R21 WeakPolarHBondContact O-CB 3.35Å; E17-R21 PolarHBondContact O-N 3Å
18	E	68.9	Low	51.6	Low	102 Å²	102	143.3 Å²	143.3	48%	0.477	66%	0.657	S	S	.	*	H	α-helix	trans	-59.9	-43.7	175	-171.9	69.3	-156.8	0	0	111.9	D14 R21 K22	D14-E18 WeakPolarHBondContact O-CB 3.38Å; D14-E18 PolarHBondContact O-N 2.97Å; E18-R21 PolarHBondContact O-N 2.98Å; E18-K22 WeakPolarHBondContact O-CG 3.46Å; E18-K22 PolarHBondContact O-N 3.2Å; E18-K22 VanDerWaalsContact OE1-CE 3.22Å; E18-K22 WeakPolarHBondContact OE1-CE 3.45Å; E18-K22 IonicContact OE1-NZ 3.29Å
19	K	62.3	Low	51.8	Low	157 Å²	157	144.7 Å²	144.7	68%	0.683	66%	0.655	S	S	*	*	H	α-helix	trans	-65.8	-36.9	175.7	-89.6	-175.6	176.3	176.5	0	112.7	H15 R16 E17 R23	H15-K19 PolarHBondContact O-N 3.36Å; R16-K19 PolarHBondContact O-N 3.24Å; E17-K19 PolarHBondContact O-N 3.36Å; K19-R23 WeakPolarHBondContact O-CB 3.5Å; K19-R23 WeakPolarHBondContact O-CG 3.44Å; K19-R23 PolarHBondContact O-N 3.47Å; K19-R23 VanDerWaalsContact O-N 3.12Å
20	H	64.4	Low	51.9	Low	125 Å²	125	139 Å²	139	58%	0.579	63%	0.634	S	S	*	*	H	α-helix	trans	-69.3	-35.8	175.3	-86.4	-73.2	0	0	0	112	R16 E17 R23 R24	R16-H20 PolarHBondContact O-CD2 2.88Å; R16-H20 VanDerWaalsContact O-CD2 3.24Å; R16-H20 PolarHBondContact O-N 3.23Å; E17-H20 PolarHBondContact O-N 3.03Å; H20-R23 PolarHBondContact O-N 2.92Å; H20-R24 PolarHBondContact O-N 2.98Å
21	R	67.5	Low	51.8	Low	196 Å²	196	139 Å²	139	74%	0.74	63%	0.63	S	S	*	*	H	α-helix	trans	-67.5	-43.8	177.4	-157.9	174.1	173.3	157.5	-1.7	112	E17 E18 R23 R24 S25	E17-R21 WeakPolarHBondContact O-CB 3.35Å; E17-R21 PolarHBondContact O-N 3Å; E18-R21 PolarHBondContact O-N 2.98Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 2.89Å; R21-R24 PolarHBondContact O-N 3.11Å; R21-S25 PolarHBondContact O-N 3.33Å
22	K	66	Low	51.5	Low	126 Å²	126	144.9 Å²	144.9	55%	0.548	64%	0.642	S	S	.	*	H	α-helix	trans	-65.8	-32.8	174.3	-69.9	-178.7	-179	177	0	113.5	E18 S25 H26	E18-K22 WeakPolarHBondContact O-CG 3.46Å; E18-K22 PolarHBondContact O-N 3.2Å; E18-K22 VanDerWaalsContact OE1-CE 3.22Å; E18-K22 WeakPolarHBondContact OE1-CE 3.45Å; E18-K22 IonicContact OE1-NZ 3.29Å; K22-S25 PolarHBondContact O-OG 3Å; K22-H26 PolarHBondContact O-N 3.24Å
23	R	54.4	Low	51	Low	195 Å²	195	144 Å²	144	74%	0.736	64%	0.635	S	S	*	*	H	α-helix	trans	-72.8	-33	174	-79.5	-178.1	165.4	-177.6	-4.9	113	K19 H20 R21 R27	K19-R23 WeakPolarHBondContact O-CB 3.5Å; K19-R23 WeakPolarHBondContact O-CG 3.44Å; K19-R23 PolarHBondContact O-N 3.47Å; K19-R23 VanDerWaalsContact O-N 3.12Å; H20-R23 PolarHBondContact O-N 2.92Å; R21-R23 VanDerWaalsContact C-N 3.35Å; R21-R23 PolarHBondContact O-N 2.89Å; R23-R27 WeakPolarHBondContact O-CB 3.22Å; R23-R27 PolarHBondContact O-N 2.99Å
24	R	53.1	Low	50.1	Low	186 Å²	186	146.8 Å²	146.8	70%	0.702	64%	0.643	S	S	*	*	H	α-helix	trans	-69.8	-43.5	173.4	-104.7	-175.6	173.6	174.7	-2.6	111.8	H20 R21 H26 R27 E28	H20-R24 PolarHBondContact O-N 2.98Å; R21-R24 PolarHBondContact O-N 3.11Å; R24-H26 PolarHBondContact O-N 3.05Å; R24-R27 PolarHBondContact O-N 2.87Å; R24-R27 VanDerWaalsContact O-N 3.09Å; R24-E28 PolarHBondContact O-N 3.29Å
25	S	54.3	Low	48.8	Very low	59 Å²	59	145.1 Å²	145.1	41%	0.413	65%	0.65	S	S	.	*	H	α-helix	trans	-62.5	-40.4	178.6	65.6	0	0	0	0	112.5	R21 K22 R27 E28 E29	R21-S25 PolarHBondContact O-N 3.33Å; K22-S25 PolarHBondContact O-OG 3Å; S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.32Å; S25-E28 PolarHBondContact O-N 3.24Å; S25-E29 PolarHBondContact O-N 2.89Å
26	H	43.3	Very low	47.8	Very low	128 Å²	128	144 Å²	144	59%	0.593	66%	0.655	S	S	*	*	H	α-helix	trans	-69.2	-26.9	174.5	-88.7	-38.4	0	0	0	114	K22 R24 E29 S30	K22-H26 PolarHBondContact O-N 3.24Å; R24-H26 PolarHBondContact O-N 3.05Å; H26-E29 IonicContact ND1-OE2 3.78Å; H26-E29 PolarHBondContact ND1-OE2 3.23Å; H26-S30 PolarHBondContact O-N 3.35Å; H26-S30 PolarHBondContact O-OG 3.37Å
27	R	37.3	Very low	46.6	Very low	177 Å²	177	140 Å²	140	67%	0.668	66%	0.655	S	S	*	*	H	α-helix	trans	-75.5	-37.1	174.9	-166.9	174.8	179.6	172.9	0.4	111.7	R23 R24 S25 S30 E31	R23-R27 WeakPolarHBondContact O-CB 3.22Å; R23-R27 PolarHBondContact O-N 2.99Å; R24-R27 PolarHBondContact O-N 2.87Å; R24-R27 VanDerWaalsContact O-N 3.09Å; S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.32Å; R27-S30 WeakPolarHBondContact CA-OG 3.34Å; R27-S30 PolarHBondContact O-N 3.31Å; R27-S30 PolarHBondContact O-OG 3.38Å; R27-E31 PolarHBondContact O-N 3.47Å
28	E	41.9	Very low	45	Very low	121 Å²	121	143.6 Å²	143.6	57%	0.565	67%	0.665	S	S	*	*	H	α-helix	trans	-70	-33.6	174.9	-73.3	173	-174.2	0	0	112	R24 S25 Y32	R24-E28 PolarHBondContact O-N 3.29Å; S25-E28 PolarHBondContact O-N 3.24Å; E28-Y32 WeakPolarHBondContact O-CD2 3.47Å
29	E	38.8	Very low	43.1	Very low	136 Å²	136	149.3 Å²	149.3	64%	0.636	68%	0.683	S	S	*	*	H	α-helix	trans	-68.1	-31.4	173.1	-100.2	178.8	159.7	0	0	113.8	S25 H26	S25-E29 PolarHBondContact O-N 2.89Å; H26-E29 IonicContact ND1-OE2 3.78Å; H26-E29 PolarHBondContact ND1-OE2 3.23Å
30	S	37	Very low	41.4	Very low	75 Å²	75	152.1 Å²	152.1	52%	0.524	69%	0.691	S	S	.	*	H	α-helix	trans	-85	-20.2	-177.8	38.2	0	0	0	0	113.8	H26 R27 Y32 H33	H26-S30 PolarHBondContact O-N 3.35Å; H26-S30 PolarHBondContact O-OG 3.37Å; R27-S30 WeakPolarHBondContact CA-OG 3.34Å; R27-S30 PolarHBondContact O-N 3.31Å; R27-S30 PolarHBondContact O-OG 3.38Å; S30-Y32 VanDerWaalsContact C-N 3.28Å; S30-Y32 PolarHBondContact O-N 3.06Å; S30-H33 PolarHBondContact O-N 3.13Å
31	E	33.7	Very low	39.5	Very low	142 Å²	142	155.2 Å²	155.2	66%	0.664	71%	0.706	S	S	*	*	H	α-helix	trans	-72.9	-18.5	172.9	-93.2	178.1	-178.8	0	0	113.4	R27 H33	R27-E31 PolarHBondContact O-N 3.47Å; E31-H33 PolarHBondContact O-N 3.36Å
32	Y	37.4	Very low	37.5	Very low	204 Å²	204	154.1 Å²	154.1	80%	0.8	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-6.8	175.3	-86.2	-77.4	0	0	0	114.3	E28 S30	E28-Y32 WeakPolarHBondContact O-CD2 3.47Å; S30-Y32 VanDerWaalsContact C-N 3.28Å; S30-Y32 PolarHBondContact O-N 3.06Å
33	H	36.3	Very low	35.5	Very low	160 Å²	160	153.8 Å²	153.8	74%	0.741	72%	0.723	S	S	*	*	S	Bend	trans	-133.3	73.1	176.3	-81.2	26.9	0	0	0	109.9	S30 E31	S30-H33 PolarHBondContact O-N 3.13Å; E31-H33 PolarHBondContact O-N 3.36Å
34	Y	29.6	Very low	34.2	Very low	226 Å²	226	149.9 Å²	149.9	89%	0.886	73%	0.726	S	S	*	*			trans	165.9	84.4	145.5	-104	-85.6	0	0	0	108.2
35	G	29	Very low	32.8	Very low	67 Å²	67	148.7 Å²	148.7	69%	0.691	73%	0.733	S	S	*	*			trans	-71.9	136.5	159.7	0	0	0	0	0	109.2	S37	G35-S37 PolarHBondContact O-N 3.31Å
36	P	32.1	Very low	31.7	Very low	114 Å²	114	154.6 Å²	154.6	74%	0.74	75%	0.754	S	S	*	*			trans	-63.4	128.2	-170.6	-19.4	30.9	0	0	0	112.2	Y38	P36-Y38 PolarHBondContact O-N 2.87Å; P36-Y38 VanDerWaalsContact O-N 3.11Å
37	S	29.5	Very low	30.9	Very low	105 Å²	105	153.7 Å²	153.7	73%	0.734	76%	0.762	S	S	*	*			trans	-61.7	110.4	168.1	-179.4	0	0	0	0	108.5	G35 Y39	G35-S37 PolarHBondContact O-N 3.31Å; S37-Y39 PolarHBondContact O-N 2.88Å
38	Y	28	Very low	30.4	Very low	215 Å²	215	149 Å²	149	84%	0.843	77%	0.769	S	S	*	*			trans	-63.7	112.9	167	-80.5	-88.2	0	0	0	108.2	P36 Y40	P36-Y38 PolarHBondContact O-N 2.87Å; P36-Y38 VanDerWaalsContact O-N 3.11Å; Y38-Y40 PolarHBondContact O-N 3.24Å; Y38-Y40 VanDerWaalsContact O-N 3.1Å
39	Y	29.5	Very low	29.8	Very low	221 Å²	221	150.8 Å²	150.8	87%	0.867	78%	0.777	S	S	*	*			trans	-59.4	108.4	170.2	-79	-90.7	0	0	0	109.2	S37 Q41	S37-Y39 PolarHBondContact O-N 2.88Å; Y39-Q41 PolarHBondContact O-N 3.03Å
40	Y	26.9	Very low	29.2	Very low	216 Å²	216	149.6 Å²	149.6	85%	0.847	78%	0.778	S	S	*	*			trans	-73.3	101.3	156.9	-103.9	-94.7	0	0	0	107.4	Y38 E42	Y38-Y40 PolarHBondContact O-N 3.24Å; Y38-Y40 VanDerWaalsContact O-N 3.1Å; Y40-E42 PolarHBondContact O-N 3.19Å; Y40-E42 VanDerWaalsContact O-N 3.15Å
41	Q	25.1	Very low	29	Very low	191 Å²	191	152.4 Å²	152.4	89%	0.893	79%	0.787	S	S	*	*			trans	-73.6	92.1	167.3	-116.6	172.3	-10.4	0	0	107.5	Y39	Y39-Q41 PolarHBondContact O-N 3.03Å
42	E	25.4	Very low	28.6	Very low	172 Å²	172	154.1 Å²	154.1	80%	0.804	79%	0.793	S	S	*	*			trans	-85.3	116.9	166.3	-112	178.9	-178.6	0	0	109.6	Y40 S44	Y40-E42 PolarHBondContact O-N 3.19Å; Y40-E42 VanDerWaalsContact O-N 3.15Å; E42-S44 PolarHBondContact O-N 3.39Å
43	S	23.2	Very low	28.4	Very low	119 Å²	119	154.6 Å²	154.6	83%	0.832	80%	0.795	S	S	*	*			trans	-61.1	104.9	171.4	45.5	0	0	0	0	110.7
44	S	27.7	Very low	28.2	Very low	114 Å²	114	154.2 Å²	154.2	80%	0.797	80%	0.798	S	S	*	*			trans	-111.5	91.9	165.8	44.1	0	0	0	0	110	E42 H46	E42-S44 PolarHBondContact O-N 3.39Å; S44-H46 PolarHBondContact O-N 3.43Å
45	N	23	Very low	28.1	Very low	160 Å²	160	150.3 Å²	150.3	86%	0.856	79%	0.793	S	S	*	*			trans	-68.2	99.7	152.6	-85.3	-22.3	0	0	0	107.9
46	H	31.6	Very low	28.2	Very low	183 Å²	183	154 Å²	154	85%	0.847	80%	0.796	S	S	*	*			trans	-155.1	108.5	143	-117	54.3	0	0	0	111.5	S44	S44-H46 PolarHBondContact O-N 3.43Å
47	S	25.7	Very low	28.3	Very low	110 Å²	110	159.4 Å²	159.4	77%	0.769	80%	0.804	S	S	*	*			trans	-46	143.6	157	48.3	0	0	0	0	113.4
48	G	26.5	Very low	28.4	Very low	78 Å²	78	164.1 Å²	164.1	80%	0.804	81%	0.807	S	S	*	*			trans	121	89.4	146.6	0	0	0	0	0	115.8
49	H	30.3	Very low	28.3	Very low	159 Å²	159	164.5 Å²	164.5	74%	0.736	81%	0.807	S	S	*	*				156	116.9	107.5	-162.5	-80.8	0	0	0	108.6	D51	H49-D51 IonicContact CE1-OD1 2.67Å; H49-D51 IonicContact CE1-OD2 3.6Å; H49-D51 IonicContact ND1-OD1 3.06Å; H49-D51 IonicContact ND1-OD2 3.24Å; H49-D51 PolarHBondContact ND1-OD2 3.01Å
50	V	26.8	Very low	28.4	Very low	111 Å²	111	160.8 Å²	160.8	67%	0.673	80%	0.802	S	S	*	*			trans	-85.8	111.5	179.1	172.2	0	0	0	0	106.9	K52	V50-K52 HydrophobicContact CG1-CG 3.92Å
51	D	31.6	Very low	28.6	Very low	133 Å²	133	162.4 Å²	162.4	71%	0.711	81%	0.806	S	S	*	*			trans	-111.9	103.2	157.5	-79.5	-42.5	0	0	0	108.7	H49	H49-D51 IonicContact CE1-OD1 2.67Å; H49-D51 IonicContact CE1-OD2 3.6Å; H49-D51 IonicContact ND1-OD1 3.06Å; H49-D51 IonicContact ND1-OD2 3.24Å; H49-D51 PolarHBondContact ND1-OD2 3.01Å
52	K	26.6	Very low	28.9	Very low	179 Å²	179	164 Å²	164	78%	0.778	81%	0.806	S	S	*	*			trans	-74.1	115.3	167.9	-72.7	171.7	175.7	176.8	0	108	V50	V50-K52 HydrophobicContact CG1-CG 3.92Å
53	Y	32.5	Very low	29.6	Very low	214 Å²	214	161.2 Å²	161.2	84%	0.839	80%	0.803	S	S	*	*			trans	-140.5	110.7	153.3	-89.5	-76.4	0	0	0	110.9
54	D	31.2	Very low	30	Very low	151 Å²	151	165.2 Å²	165.2	81%	0.807	81%	0.805	S	S	*	*			trans	29.1	103.9	156.7	-76.7	-38	0	0	0	121.1
55	D	28.4	Very low	30.4	Very low	145 Å²	145	164.5 Å²	164.5	78%	0.775	80%	0.8	S	S	*	*			trans	-62.3	146.7	137.2	-89.6	-42.1	0	0	0	111.6
56	N	30.8	Very low	30.8	Very low	144 Å²	144	165.5 Å²	165.5	77%	0.77	80%	0.8	S	S	*	*			trans	91.9	79.3	164.1	-55.6	-51.2	0	0	0	118.6
57	Y	33.7	Very low	31.1	Very low	227 Å²	227	163.6 Å²	163.6	89%	0.89	80%	0.795	S	S	*	*			trans	-117	99.8	137.3	-101.8	-90.8	0	0	0	110.9
58	Y	32	Very low	31.7	Very low	205 Å²	205	167 Å²	167	80%	0.804	80%	0.799	S	S	*	*			trans	44.9	93.2	144.5	-80.5	-89.8	0	0	0	119.8
59	R	26.6	Very low	32.3	Very low	223 Å²	223	170.9 Å²	170.9	84%	0.842	80%	0.797	S	S	*	*				4.5	133.1	112	-141.9	177.8	-170.7	170.9	3.6	116.8
60	N	31.1	Very low	32.8	Very low	142 Å²	142	169.8 Å²	169.8	76%	0.759	79%	0.792	S	S	*	*			trans	90.5	89.7	160.1	-64.7	-20.1	0	0	0	119.5
61	R	31.4	Very low	33.6	Very low	251 Å²	251	169.8 Å²	169.8	95%	0.947	79%	0.788	S	S	*	*			trans	-156	97.6	131.7	-129.3	177.4	-164.9	172.2	6.7	112.8
62	Y	30.5	Very low	34.4	Very low	223 Å²	223	172.2 Å²	172.2	88%	0.875	79%	0.788	S	S	*	*			trans	-85	165.9	154.7	-91.1	-84.7	0	0	0	109.3
63	P	39.8	Very low	35.4	Very low	115 Å²	115	169.2 Å²	169.2	75%	0.747	78%	0.78	S	S	*	*				-120	149.3	-74.9	32.4	-14.4	0	0	0	110.9
64	K	32.3	Very low	35.9	Very low	202 Å²	202	167.7 Å²	167.7	88%	0.878	77%	0.772	S	S	*	*			trans	-118.6	110.2	173.8	-92.4	-173.1	174.8	-174.9	0	111.9
65	S	35.7	Very low	36.7	Very low	100 Å²	100	170.8 Å²	170.8	70%	0.699	77%	0.773	S	S	*	*			trans	44.9	107.6	139.4	59.3	0	0	0	0	118.7	D67	S65-D67 PolarHBondContact O-N 3.42Å
66	H	32.3	Very low	37.4	Very low	181 Å²	181	173.9 Å²	173.9	84%	0.838	77%	0.773	S	S	*	*			trans	-25.6	113.8	135.4	-106.3	-99.3	0	0	0	111.8
67	D	36.5	Very low	37.7	Very low	142 Å²	142	176.1 Å²	176.1	76%	0.759	78%	0.777	S	S	*	*			trans	-178.6	47.1	153.3	-92.1	-19.4	0	0	0	111.6	S65	S65-D67 PolarHBondContact O-N 3.42Å
68	Q	39.4	Very low	37.8	Very low	182 Å²	182	174.7 Å²	174.7	85%	0.85	78%	0.775	S	S	*	*	S	Bend	trans	-124.1	6.7	172	-68.7	-170.9	11.3	0	0	114.3
69	Q	39.1	Very low	38	Very low	160 Å²	160	169.6 Å²	169.6	75%	0.748	77%	0.769	S	S	*	*	S	Bend	trans	-86	-27.2	176.9	-153.9	99.9	9.3	0	0	112.8
70	E	40.2	Very low	38.3	Very low	135 Å²	135	168 Å²	168	63%	0.631	77%	0.768	S	S	*	*	H	α-helix	trans	-77.3	-27.4	-176.6	-74.5	-141.9	152.7	0	0	114.4	Y72 I73	E70-Y72 VanDerWaalsContact C-N 3.32Å; E70-Y72 PolarHBondContact O-N 3.04Å; E70-I73 PolarHBondContact O-N 3.33Å
71	D	44.6	Very low	38.3	Very low	112 Å²	112	169.8 Å²	169.8	60%	0.599	77%	0.772	S	S	*	*	H	α-helix	trans	-74.6	-21.7	-175.6	-87.8	-19.8	0	0	0	113.7
72	Y	48.8	Very low	38.2	Very low	184 Å²	184	169.9 Å²	169.9	72%	0.722	77%	0.772	S	S	*	*	H	α-helix	trans	-73.1	-33.2	177.8	-165.9	-99.2	0	0	0	112.2	E70	E70-Y72 VanDerWaalsContact C-N 3.32Å; E70-Y72 PolarHBondContact O-N 3.04Å
73	I	47.4	Very low	38.4	Very low	116 Å²	116	165 Å²	165	60%	0.595	77%	0.771	S	S	*	*	H	α-helix	trans	-74.8	-32.9	-178.4	-60.5	178.6	0	0	0	111.1	E70 R75	E70-I73 PolarHBondContact O-N 3.33Å; I73-R75 PolarHBondContact O-N 2.82Å
74	R	42.9	Very low	38.2	Very low	181 Å²	181	165.8 Å²	165.8	68%	0.683	78%	0.776	S	S	*	*	H	α-helix	trans	-71.2	-28.2	178.8	-71.5	-175.3	-174	-172.7	5.1	113.6
75	R	46.3	Very low	38.1	Very low	217 Å²	217	161.6 Å²	161.6	82%	0.819	77%	0.772	S	S	*	*	H	α-helix	trans	-74.7	-27	179.1	-78.1	-172.2	-174.5	-165.4	2.7	114.2	I73	I73-R75 PolarHBondContact O-N 2.82Å
76	R	43.3	Very low	37.7	Very low	209 Å²	209	162 Å²	162	79%	0.789	77%	0.773	S	S	*	*	H	α-helix	trans	-79.5	-18.7	-177.4	-168.9	170.5	166.1	140.6	-3.8	114.2
77	K	38.4	Very low	37.5	Very low	192 Å²	192	160.4 Å²	160.4	84%	0.835	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	1.2	-179.8	-76	-168	177.3	178.5	0	115.3
78	K	35.9	Very low	37.3	Very low	197 Å²	197	160 Å²	160	86%	0.857	77%	0.774	S	S	*	*	S	Bend	trans	-116.7	11.6	-175	-138.2	174.2	-177.1	175.6	0	116.4
79	S	35.2	Very low	36.8	Very low	97 Å²	97	159.3 Å²	159.3	68%	0.678	77%	0.771	S	S	*	*			trans	-115	60.6	177.6	68.1	0	0	0	0	112.6
80	K	33.1	Very low	36.6	Very low	190 Å²	190	161 Å²	161	83%	0.826	78%	0.778	S	S	*	*			trans	-146.4	36.7	171.1	-92.3	-161.7	-178.9	179.8	0	113.8
81	H	32.4	Very low	35.8	Very low	180 Å²	180	162.6 Å²	162.6	83%	0.833	79%	0.785	S	S	*	*			trans	-149.3	103.8	165.5	-67.2	-67.2	0	0	0	109.9
82	R	27.9	Very low	35.2	Very low	252 Å²	252	161.9 Å²	161.9	95%	0.951	79%	0.789	S	S	*	*			trans	179.9	92	150.1	-100.5	165.2	-172.8	-163.6	1.5	108.8
83	S	35.6	Very low	34.4	Very low	121 Å²	121	161.1 Å²	161.1	85%	0.846	79%	0.79	S	S	*	*			trans	-112.5	127.6	156.2	-58.7	0	0	0	0	106.7
84	P	35.4	Very low	33.5	Very low	131 Å²	131	166 Å²	166	85%	0.851	80%	0.8	S	S	*	*			trans	-79.6	139.8	-175.6	-10.3	27.5	0	0	0	112.4
85	S	29.7	Very low	32.7	Very low	114 Å²	114	161.7 Å²	161.7	80%	0.797	80%	0.798	S	S	*	*			trans	-72.6	136.5	165	52.7	0	0	0	0	112.2
86	C	28.3	Very low	31.9	Very low	109 Å²	109	158.9 Å²	158.9	74%	0.736	79%	0.794	S	S	*	*			trans	-168.8	114.3	137.3	51.9	0	0	0	0	110.5
87	D	28.1	Very low	31.3	Very low	147 Å²	147	155.8 Å²	155.8	79%	0.786	79%	0.788	S	S	*	*			trans	44.9	126	134.6	-50.9	-35.1	0	0	0	119.9
88	T	31.3	Very low	30.6	Very low	134 Å²	134	152.7 Å²	152.7	82%	0.822	78%	0.777	S	S	*	*				-177.2	143.1	93.2	-48.9	0	0	0	0	110.1
89	H	28.2	Very low	30.1	Very low	168 Å²	168	150.8 Å²	150.8	78%	0.778	77%	0.769	S	S	*	*			trans	-50.8	144.5	-179.8	-66.5	-94.7	0	0	0	117.1
90	H	35	Very low	29.8	Very low	194 Å²	194	155.1 Å²	155.1	90%	0.898	78%	0.775	S	S	*	*			trans	-156.9	118.8	131.3	-113.9	-66.4	0	0	0	111.7
91	E	24.5	Very low	29.4	Very low	170 Å²	170	150.1 Å²	150.1	79%	0.794	76%	0.764	S	S	*	*			trans	-65.5	148.8	167.1	-63.9	-177.5	128.3	0	0	111.7
92	S	31.6	Very low	29.4	Very low	97 Å²	97	149.9 Å²	149.9	68%	0.678	76%	0.763	S	S	*	*				172.4	120.6	121.9	-82.3	0	0	0	0	114.2
93	K	31.1	Very low	29.3	Very low	168 Å²	168	147.1 Å²	147.1	73%	0.73	76%	0.758	S	S	*	*			trans	83	115.5	130.6	-64.8	174	-173.6	172.1	0	121.7
94	R	28.6	Very low	29	Very low	217 Å²	217	148 Å²	148	82%	0.819	76%	0.758	S	S	*	*				75.6	108.1	123.8	-70.7	-180	179.6	-179.3	-2.5	117.4
95	S	26	Very low	28.5	Very low	92 Å²	92	151.1 Å²	151.1	64%	0.643	76%	0.758	S	S	*	*				80.2	122.9	70.8	72.1	0	0	0	0	115.2
96	H	31.5	Very low	28.5	Very low	157 Å²	157	157.6 Å²	157.6	73%	0.727	77%	0.765	S	S	*	*			trans	139.8	108.7	143.4	-88.8	-79.5	0	0	0	112.2
97	H	29.3	Very low	28.3	Very low	144 Å²	144	160 Å²	160	67%	0.667	77%	0.765	S	S	*	*				72.1	105.1	101.7	-92.6	-82.7	0	0	0	113.3
98	E	24.4	Very low	28.3	Very low	128 Å²	128	163.1 Å²	163.1	60%	0.598	77%	0.773	S	S	*	*				74.1	125.1	83.1	-90	-156.9	143.2	0	0	115.9
99	K	25.8	Very low	28	Very low	156 Å²	156	164.5 Å²	164.5	68%	0.678	77%	0.77	S	S	*	*			trans	92.9	141.5	132.8	-79.6	172.8	179.2	144.3	0	121
100	K	27.9	Very low	28.2	Very low	188 Å²	188	163.8 Å²	163.8	82%	0.817	77%	0.771	S	S	*	*			trans	90.8	109.5	156.1	-74	171.5	-177.4	-179.6	0	116
101	S	24.4	Very low	27.8	Very low	85 Å²	85	162.2 Å²	162.2	59%	0.594	77%	0.77	S	S	*	*				93.5	139.8	60.7	70.7	0	0	0	0	112.8
102	H	32.7	Very low	28	Very low	176 Å²	176	162.7 Å²	162.7	82%	0.815	77%	0.772	S	S	*	*			trans	128.7	104.4	163	-67.1	-56.3	0	0	0	109.6
103	K	25.6	Very low	27.8	Very low	193 Å²	193	167.7 Å²	167.7	84%	0.839	78%	0.781	S	S	*	*			cis	81.7	100.1	49.7	-160.8	-173.9	-165	179.3	0	113.2
104	T	29.4	Very low	27.5	Very low	139 Å²	139	164.9 Å²	164.9	85%	0.853	78%	0.783	S	S	*	*			trans	178.8	103.6	143.9	25.2	0	0	0	0	109.1
105	K	25.3	Very low	27.5	Very low	197 Å²	197	162.5 Å²	162.5	86%	0.857	78%	0.784	S	S	*	*				47.4	109.8	96.4	-84.2	-169.7	175.8	-175.8	0	115.8
106	R	30	Very low	27.5	Very low	250 Å²	250	163.4 Å²	163.4	94%	0.943	79%	0.791	S	S	*	*				-171.5	138.6	116.9	-97.8	170.2	-169.8	-161.3	2.8	111.2
107	H	23.5	Very low	27.1	Very low	159 Å²	159	158.9 Å²	158.9	74%	0.736	79%	0.786	S	S	*	*			trans	-68.3	146.2	-178.4	-73.5	-109.2	0	0	0	112.7
108	F	29.4	Very low	27.1	Very low	214 Å²	214	160 Å²	160	94%	0.939	80%	0.798	S	S	*	*				-153.9	125.6	123.4	-113.5	-86.3	0	0	0	107.2
109	E	24.8	Very low	27.4	Very low	163 Å²	163	162.5 Å²	162.5	76%	0.762	81%	0.809	S	S	*	*			trans	-79.6	129.5	-179.7	-66.9	171	151.1	0	0	108.8
110	D	30.9	Very low	27.6	Very low	152 Å²	152	162.9 Å²	162.9	81%	0.813	82%	0.819	S	S	*	*			trans	-155.9	139.5	147.9	-99.9	-32.6	0	0	0	110.6	H112	D110-H112 PolarHBondContact O-N 2.89Å
111	N	27.1	Very low	27.9	Very low	161 Å²	161	163.8 Å²	163.8	86%	0.861	82%	0.822	S	S	*	*			trans	-59.8	108.1	-160.9	-82.7	-53.2	0	0	0	115.1
112	H	28.3	Very low	28.1	Very low	180 Å²	180	164.6 Å²	164.6	83%	0.833	83%	0.828	S	S	*	*			trans	-90.6	102.2	155.9	-79.2	-75	0	0	0	110.4	D110 S114	D110-H112 PolarHBondContact O-N 2.89Å; H112-S114 PolarHBondContact O-N 3.39Å
113	K	29	Very low	28	Very low	203 Å²	203	163.4 Å²	163.4	88%	0.883	83%	0.827	S	S	*	*			trans	-85.6	91	151.6	-89.3	-177.9	177.4	174.8	0	108
114	S	23.5	Very low	28.3	Very low	109 Å²	109	159.7 Å²	159.7	76%	0.762	82%	0.82	S	S	*	*			trans	-80.6	108	162.2	37.7	0	0	0	0	108.9	H112	H112-S114 PolarHBondContact O-N 3.39Å
115	I	28.5	Very low	28.2	Very low	166 Å²	166	160.3 Å²	160.3	85%	0.851	82%	0.818	S	S	*	*			trans	-103.4	109.7	158.3	-74.1	177.6	0	0	0	107.4
116	S	25.9	Very low	28.7	Very low	112 Å²	112	155.9 Å²	155.9	78%	0.783	81%	0.807	S	S	*	*			trans	-53.8	140.4	167.1	167.7	0	0	0	0	112.3
117	G	22.7	Very low	28.8	Very low	61 Å²	61	152.7 Å²	152.7	63%	0.629	80%	0.803	S	S	*	*			trans	66.8	111.9	141.1	0	0	0	0	0	118.1
118	N	30.7	Very low	29.6	Very low	169 Å²	169	150.9 Å²	150.9	90%	0.904	80%	0.799	S	S	*	*			trans	-150.5	134.2	137.9	-101.3	-25.2	0	0	0	110.9
119	E	30.2	Very low	30.5	Very low	179 Å²	179	149.6 Å²	149.6	84%	0.836	80%	0.796	S	S	*	*			trans	-72	153.6	-162.2	-61.6	169.4	145.1	0	0	113.8	K121	E119-K121 PolarHBondContact O-N 3.29Å; E119-K121 VanDerWaalsContact O-N 3.12Å
120	D	29.5	Very low	31.7	Very low	165 Å²	165	150.3 Å²	150.3	88%	0.882	80%	0.799	S	S	*	*			trans	-50.4	106.6	172.4	-70.1	-48.2	0	0	0	112.3	S122	D120-S122 VanDerWaalsContact C-N 3.33Å; D120-S122 PolarHBondContact O-N 2.93Å; D120-S122 VanDerWaalsContact O-N 3.07Å
121	K	33.8	Very low	33.5	Very low	206 Å²	206	147.8 Å²	147.8	90%	0.896	79%	0.785	S	S	*	*			trans	-79.7	87.4	163.6	-78	-174.9	177.9	179.4	0	109.5	E119 L123	E119-K121 PolarHBondContact O-N 3.29Å; E119-K121 VanDerWaalsContact O-N 3.12Å; K121-L123 PolarHBondContact O-N 3.31Å
122	S	29.2	Very low	35.4	Very low	103 Å²	103	147 Å²	147	72%	0.72	78%	0.776	S	S	*	*			trans	-52.4	119.4	158	175.3	0	0	0	0	109.9	D120 V124	D120-S122 VanDerWaalsContact C-N 3.33Å; D120-S122 PolarHBondContact O-N 2.93Å; D120-S122 VanDerWaalsContact O-N 3.07Å; S122-V124 PolarHBondContact O-N 3.27Å
123	L	31.1	Very low	37.4	Very low	151 Å²	151	146 Å²	146	79%	0.791	77%	0.772	S	S	*	*			trans	-88.9	102.2	-177	-138.4	162.2	0	0	0	108.1	K121	K121-L123 PolarHBondContact O-N 3.31Å
124	V	31.1	Very low	39.6	Very low	115 Å²	115	141.4 Å²	141.4	70%	0.697	75%	0.754	S	S	*	*			trans	-80.9	118.1	172.6	178.9	0	0	0	0	107.8	S122 V126	S122-V124 PolarHBondContact O-N 3.27Å; V124-V126 HydrophobicContact CG1-CG2 4.2Å; V124-V126 PolarHBondContact O-N 2.97Å
125	L	28.4	Very low	42.2	Very low	152 Å²	152	140.2 Å²	140.2	80%	0.796	74%	0.738	S	S	*	*			trans	-75.6	109.5	174.3	-64.1	168.9	0	0	0	108.9
126	V	35.1	Very low	44.6	Very low	104 Å²	104	136.4 Å²	136.4	63%	0.63	72%	0.719	S	S	*	*			trans	-119.6	116.2	161.1	-177	0	0	0	0	106.1	V124 N128	V124-V126 HydrophobicContact CG1-CG2 4.2Å; V124-V126 PolarHBondContact O-N 2.97Å; V126-N128 PolarHBondContact O-N 3.05Å
127	E	33.2	Very low	47.2	Very low	182 Å²	182	138.8 Å²	138.8	85%	0.85	71%	0.71	S	S	*	*			trans	-79.1	109.5	-174.9	-61.7	171.2	167.1	0	0	109.5
128	N	38.9	Very low	50.2	Low	122 Å²	122	144.1 Å²	144.1	65%	0.652	71%	0.711	S	S	*	*			trans	-138.9	134.8	163.6	-74.9	-41.2	0	0	0	109.2	V126 E130 D131	V126-N128 PolarHBondContact O-N 3.05Å; N128-E130 PolarHBondContact O-N 3.2Å; N128-D131 PolarHBondContact O-N 3.3Å
129	E	48.3	Very low	52.8	Low	187 Å²	187	144.1 Å²	144.1	87%	0.874	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-13.8	-169.5	-65.4	176.3	157.9	0	0	115.1	D131	E129-D131 PolarHBondContact O-N 3.19Å
130	E	49.4	Very low	55.6	Low	178 Å²	178	144.3 Å²	144.3	83%	0.832	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-13.9	-179.7	-66.9	-176.5	164.4	0	0	113.6	N128	N128-E130 PolarHBondContact O-N 3.2Å
131	D	69.5	Low	58.2	Low	99 Å²	99	140.2 Å²	140.2	53%	0.529	67%	0.669	S	S	.	*	H	α-helix	trans	-82.4	-22.7	-178.2	-77.5	-30.6	0	0	0	114.3	N128 E129 E133 E134 I135	N128-D131 PolarHBondContact O-N 3.3Å; E129-D131 PolarHBondContact O-N 3.19Å; D131-E133 PolarHBondContact O-N 3.44Å; D131-E134 PolarHBondContact O-N 3.12Å; D131-I135 WeakPolarHBondContact O-CD1 3.49Å; D131-I135 WeakPolarHBondContact O-CG1 3.42Å; D131-I135 PolarHBondContact O-N 2.9Å
132	E	68.1	Low	60.6	Low	143 Å²	143	136.2 Å²	136.2	67%	0.668	65%	0.654	S	S	*	*	H	α-helix	trans	-66.3	-40.6	-175.3	-70.6	-163.8	167.7	0	0	112.5	I135 I136	E132-I135 PolarHBondContact O-N 3.18Å; E132-I136 VanDerWaalsContact O-CG1 3.27Å; E132-I136 WeakPolarHBondContact O-CG1 3.49Å; E132-I136 PolarHBondContact O-N 3.26Å
133	E	68.5	Low	62.9	Low	161 Å²	161	140.8 Å²	140.8	75%	0.752	66%	0.655	S	S	*	*	H	α-helix	trans	-66.9	-38.5	178.6	-68	-167.6	166.1	0	0	111.9	D131 I136 R137	D131-E133 PolarHBondContact O-N 3.44Å; E133-I136 PolarHBondContact O-N 3.22Å; E133-R137 WeakPolarHBondContact O-CB 3.18Å; E133-R137 PolarHBondContact O-N 3.26Å
134	E	76.6	Confident	65.2	Low	105 Å²	105	140.2 Å²	140.2	49%	0.491	65%	0.648	S	S	.	*	H	α-helix	trans	-69.2	-36.6	177.7	-167.5	59	-151.1	0	0	111.1	D131 R137 R138	D131-E134 PolarHBondContact O-N 3.12Å; E134-R137 PolarHBondContact O-N 3.02Å; E134-R138 VanDerWaalsContact O-CB 3.3Å; E134-R138 WeakPolarHBondContact O-CB 3.32Å; E134-R138 PolarHBondContact O-N 3.02Å
135	I	78.1	Confident	67.6	Low	84 Å²	84	141.3 Å²	141.3	43%	0.431	64%	0.644	S	S	.	*	H	α-helix	trans	-62.5	-44.8	171.7	-68	164.7	0	0	0	110.9	D131 E132 R138 R139	D131-I135 WeakPolarHBondContact O-CD1 3.49Å; D131-I135 WeakPolarHBondContact O-CG1 3.42Å; D131-I135 PolarHBondContact O-N 2.9Å; E132-I135 PolarHBondContact O-N 3.18Å; I135-R138 PolarHBondContact O-N 2.95Å; I135-R139 WeakPolarHBondContact O-CG 3.21Å; I135-R139 PolarHBondContact O-N 3.27Å
136	I	77.9	Confident	69.9	Low	87 Å²	87	139.5 Å²	139.5	45%	0.446	63%	0.634	S	S	.	*	H	α-helix	trans	-63.9	-43.4	178	-68.8	165.1	0	0	0	110.7	E132 E133 R139 R140	E132-I136 VanDerWaalsContact O-CG1 3.27Å; E132-I136 WeakPolarHBondContact O-CG1 3.49Å; E132-I136 PolarHBondContact O-N 3.26Å; E133-I136 PolarHBondContact O-N 3.22Å; I136-R139 PolarHBondContact O-N 3.46Å; I136-R140 PolarHBondContact O-N 2.8Å; I136-R140 VanDerWaalsContact O-N 3.08Å
137	R	81.7	Confident	71.6	Confident	162 Å²	162	139.8 Å²	139.8	61%	0.611	63%	0.631	S	S	*	*	H	α-helix	trans	-63	-42.8	178.1	-166.4	-178	-175.1	-165.7	3.4	111.5	E133 E134 R140 I141	E133-R137 WeakPolarHBondContact O-CB 3.18Å; E133-R137 PolarHBondContact O-N 3.26Å; E134-R137 PolarHBondContact O-N 3.02Å; R137-R140 PolarHBondContact O-N 3.03Å; R137-I141 HydrophobicContact CG-CD1 4.45Å; R137-I141 WeakPolarHBondContact O-CG1 3.47Å; R137-I141 PolarHBondContact O-N 3.02Å; R137-I141 VanDerWaalsContact O-N 3.13Å
138	R	85	Confident	73.6	Confident	172 Å²	172	137.2 Å²	137.2	65%	0.649	62%	0.62	S	S	*	*	H	α-helix	trans	-61.9	-43.4	176.9	-163.7	175.5	-171	143	1	112.2	E134 I135 R140 I141 E142	E134-R138 VanDerWaalsContact O-CB 3.3Å; E134-R138 WeakPolarHBondContact O-CB 3.32Å; E134-R138 PolarHBondContact O-N 3.02Å; I135-R138 PolarHBondContact O-N 2.95Å; R138-R140 PolarHBondContact O-N 2.75Å; R138-I141 PolarHBondContact O-N 2.94Å; R138-E142 PolarHBondContact O-N 3.02Å
139	R	85.3	Confident	75.4	Confident	169 Å²	169	139.5 Å²	139.5	64%	0.638	62%	0.624	S	S	*	*	H	α-helix	trans	-64	-35.8	175.8	-73.3	179.4	-179.4	176.6	3.1	113	I135 I136 R143	I135-R139 WeakPolarHBondContact O-CG 3.21Å; I135-R139 PolarHBondContact O-N 3.27Å; I136-R139 PolarHBondContact O-N 3.46Å; R139-R143 PolarHBondContact O-N 2.82Å
140	R	88	Confident	76.3	Confident	184 Å²	184	136.1 Å²	136.1	69%	0.694	61%	0.611	S	S	*	*	H	α-helix	trans	-65.2	-43.5	174.6	-75.9	-177.8	-179.9	179.3	1.9	111.8	I136 R137 R138 R143 Q144	I136-R140 PolarHBondContact O-N 2.8Å; I136-R140 VanDerWaalsContact O-N 3.08Å; R137-R140 PolarHBondContact O-N 3.03Å; R138-R140 PolarHBondContact O-N 2.75Å; R140-R143 PolarHBondContact O-N 3.06Å; R140-Q144 PolarHBondContact O-N 2.85Å
141	I	85.1	Confident	76.9	Confident	79 Å²	79	135.4 Å²	135.4	41%	0.405	61%	0.608	S	S	.	*	H	α-helix	trans	-65.6	-41.2	177.8	-66	168.4	0	0	0	111	R137 R138 Q144 K145	R137-I141 HydrophobicContact CG-CD1 4.45Å; R137-I141 WeakPolarHBondContact O-CG1 3.47Å; R137-I141 PolarHBondContact O-N 3.02Å; R137-I141 VanDerWaalsContact O-N 3.13Å; R138-I141 PolarHBondContact O-N 2.94Å; I141-Q144 PolarHBondContact O-N 3.39Å; I141-K145 HydrophobicContact CG2-CD 4.39Å; I141-K145 WeakPolarHBondContact O-CG 3.49Å; I141-K145 PolarHBondContact O-N 2.98Å
142	E	83.2	Confident	75.9	Confident	122 Å²	122	136.8 Å²	136.8	57%	0.57	62%	0.619	S	S	*	*	H	α-helix	trans	-62.3	-43.8	175.1	-83.1	179.8	169.9	0	0	112.4	R138 Q144 K145 L146	R138-E142 PolarHBondContact O-N 3.02Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; E142-Q144 PolarHBondContact O-N 2.87Å; E142-K145 PolarHBondContact O-N 3.29Å; E142-L146 WeakPolarHBondContact O-CB 3.33Å; E142-L146 PolarHBondContact O-N 3.09Å
143	R	79.3	Confident	74.2	Confident	199 Å²	199	132.7 Å²	132.7	75%	0.751	62%	0.615	S	S	*	*	H	α-helix	trans	-60	-43.8	174.5	-88.5	-175.6	174	-174.8	-2.3	112.2	R139 R140 L146 L147	R139-R143 PolarHBondContact O-N 2.82Å; R140-R143 PolarHBondContact O-N 3.06Å; R143-L146 PolarHBondContact O-N 3.37Å; R143-L147 WeakPolarHBondContact O-CG 3.3Å; R143-L147 PolarHBondContact O-N 2.78Å
144	Q	78.6	Confident	72.4	Confident	138 Å²	138	132.3 Å²	132.3	65%	0.645	62%	0.619	S	S	*	*	H	α-helix	trans	-65.6	-41.7	-179.9	-165.1	175.1	6.6	0	0	111.5	R140 I141 E142 L146 L147 E148	R140-Q144 PolarHBondContact O-N 2.85Å; I141-Q144 PolarHBondContact O-N 3.39Å; E142-Q144 VanDerWaalsContact C-N 3.35Å; E142-Q144 PolarHBondContact O-N 2.87Å; Q144-L146 VanDerWaalsContact C-N 3.33Å; Q144-L146 PolarHBondContact O-N 2.98Å; Q144-L147 PolarHBondContact O-N 2.94Å; Q144-E148 WeakPolarHBondContact O-CB 3.35Å; Q144-E148 PolarHBondContact O-N 2.95Å
145	K	81.6	Confident	70	Confident	139 Å²	139	136.9 Å²	136.9	60%	0.604	64%	0.64	S	S	*	*	H	α-helix	trans	-64.4	-35.8	173.4	-75.8	-177.6	178.8	-178.4	0	112.8	I141 E142 K149	I141-K145 HydrophobicContact CG2-CD 4.39Å; I141-K145 WeakPolarHBondContact O-CG 3.49Å; I141-K145 PolarHBondContact O-N 2.98Å; E142-K145 PolarHBondContact O-N 3.29Å; K145-K149 VanDerWaalsContact O-CB 3.28Å; K145-K149 WeakPolarHBondContact O-CB 3.24Å; K145-K149 PolarHBondContact O-N 3.02Å
146	L	76.2	Confident	67.6	Low	113 Å²	113	136.9 Å²	136.9	59%	0.592	66%	0.66	S	S	*	*	H	α-helix	trans	-68.5	-41.5	177.6	-154.9	108.9	0	0	0	111	E142 R143 Q144 K149 L150	E142-L146 WeakPolarHBondContact O-CB 3.33Å; E142-L146 PolarHBondContact O-N 3.09Å; R143-L146 PolarHBondContact O-N 3.37Å; Q144-L146 VanDerWaalsContact C-N 3.33Å; Q144-L146 PolarHBondContact O-N 2.98Å; L146-K149 PolarHBondContact O-N 3.43Å; L146-L150 HydrophobicContact CD2-CD1 3.87Å; L146-L150 HydrophobicContact CG-CD1 4.38Å; L146-L150 WeakPolarHBondContact O-CB 3.49Å; L146-L150 WeakPolarHBondContact O-CD1 3.46Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.16Å; L146-L150 PolarHBondContact O-N 3.01Å
147	L	70.1	Confident	65.1	Low	110 Å²	110	142.1 Å²	142.1	58%	0.576	68%	0.683	S	S	*	*	H	α-helix	trans	-62.1	-46.7	173.7	-79.2	159.9	0	0	0	111.7	R143 Q144 K149 L150 E151	R143-L147 WeakPolarHBondContact O-CG 3.3Å; R143-L147 PolarHBondContact O-N 2.78Å; Q144-L147 PolarHBondContact O-N 2.94Å; L147-K149 VanDerWaalsContact C-N 3.27Å; L147-K149 PolarHBondContact O-N 2.89Å; L147-L150 PolarHBondContact O-N 3.04Å; L147-L150 VanDerWaalsContact O-N 3.11Å; L147-E151 PolarHBondContact O-N 2.97Å
148	E	76.7	Confident	62.3	Low	129 Å²	129	139 Å²	139	60%	0.603	69%	0.692	S	S	*	*	H	α-helix	trans	-62.7	-35.6	177.4	-165.4	175.7	-152.6	0	0	111.6	Q144 V152	Q144-E148 WeakPolarHBondContact O-CB 3.35Å; Q144-E148 PolarHBondContact O-N 2.95Å; E148-V152 WeakPolarHBondContact O-CG2 3.4Å; E148-V152 PolarHBondContact O-N 2.86Å
149	K	75.4	Confident	59.5	Low	169 Å²	169	136.8 Å²	136.8	74%	0.735	70%	0.7	S	S	*	*	H	α-helix	trans	-72.3	-30.2	175.4	-163.5	173.5	-175.5	-177.5	0	113.1	K145 L146 L147	K145-K149 VanDerWaalsContact O-CB 3.28Å; K145-K149 WeakPolarHBondContact O-CB 3.24Å; K145-K149 PolarHBondContact O-N 3.02Å; L146-K149 PolarHBondContact O-N 3.43Å; L147-K149 VanDerWaalsContact C-N 3.27Å; L147-K149 PolarHBondContact O-N 2.89Å
150	L	67.5	Low	56.4	Low	117 Å²	117	135.2 Å²	135.2	61%	0.613	71%	0.709	S	S	*	*	H	α-helix	trans	-78	-33.6	176.2	-74.2	163.3	0	0	0	111.8	L146 L147 V152 G153	L146-L150 HydrophobicContact CD2-CD1 3.87Å; L146-L150 HydrophobicContact CG-CD1 4.38Å; L146-L150 WeakPolarHBondContact O-CB 3.49Å; L146-L150 WeakPolarHBondContact O-CD1 3.46Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.16Å; L146-L150 PolarHBondContact O-N 3.01Å; L147-L150 PolarHBondContact O-N 3.04Å; L147-L150 VanDerWaalsContact O-N 3.11Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 3.25Å; L150-G153 PolarHBondContact O-N 3.15Å
151	E	63.2	Low	53.4	Low	163 Å²	163	133.2 Å²	133.2	76%	0.762	72%	0.717	S	S	*	*	H	α-helix	trans	-67	-30.1	175.4	-78.5	-174	164.6	0	0	113	L147	L147-E151 PolarHBondContact O-N 2.97Å
152	V	48.1	Very low	50.3	Low	127 Å²	127	138.7 Å²	138.7	77%	0.77	74%	0.739	S	S	*	*	S	Bend	trans	-89.3	-9.9	179.8	-176.5	0	0	0	0	112.9	E148 L150 N154	E148-V152 WeakPolarHBondContact O-CG2 3.4Å; E148-V152 PolarHBondContact O-N 2.86Å; L150-V152 VanDerWaalsContact C-N 3.32Å; L150-V152 PolarHBondContact O-N 3.25Å; V152-N154 PolarHBondContact O-N 2.71Å
153	G	32.8	Very low	47.5	Very low	57 Å²	57	141.4 Å²	141.4	59%	0.588	76%	0.756	S	S	*	*			trans	-98.8	40.4	-172.8	0	0	0	0	0	115.3	L150	L150-G153 PolarHBondContact O-N 3.15Å
154	N	30.5	Very low	44.8	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	76%	0.759	S	S	*	*			trans	-110.7	45.9	-178.5	-133.2	11.7	0	0	0	112.8	V152	V152-N154 PolarHBondContact O-N 2.71Å
155	Q	26.1	Very low	42.1	Very low	201 Å²	201	139 Å²	139	94%	0.939	77%	0.765	S	S	*	*			trans	-154.3	120.2	161.9	-64.1	-167.9	-3.1	0	0	109.5
156	G	27.1	Very low	39.3	Very low	83 Å²	83	139.4 Å²	139.4	86%	0.856	77%	0.774	S	S	*	*			trans	145.8	112.2	165.6	0	0	0	0	0	115.4
157	E	24.5	Very low	37	Very low	198 Å²	198	143.3 Å²	143.3	93%	0.925	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.2	154	-172.1	-65.6	171.3	141.2	0	0	116.2
158	A	23.3	Very low	34.8	Very low	96 Å²	96	145.4 Å²	145.4	79%	0.793	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-85.1	137.4	177.6	0	0	0	0	0	112.9
159	P	26.3	Very low	32.6	Very low	126 Å²	126	144.5 Å²	144.5	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.6	126.4	168	0.8	17.7	0	0	0	112.3
160	T	21.3	Very low	30.2	Very low	136 Å²	136	145.6 Å²	145.6	83%	0.834	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.7	132.9	166.5	46.9	0	0	0	0	111.6
161	T	24.5	Very low	28.2	Very low	141 Å²	141	146.6 Å²	146.6	87%	0.865	83%	0.825	S	S	*	*			trans	-135.9	125.2	158.9	39	0	0	0	0	111.3
162	K	20.1	Very low	26.6	Very low	195 Å²	195	146.3 Å²	146.3	85%	0.848	83%	0.827	S	S	*	*			trans	-74.5	143.9	174.2	-61.6	170.9	175.9	-179.8	0	110
163	L	25.1	Very low	25.5	Very low	179 Å²	179	149.4 Å²	149.4	94%	0.937	83%	0.832	S	S	*	*			trans	-135.5	120.9	161.1	-83.6	166.1	0	0	0	109.2
164	E	20.7	Very low	25.5	Very low	176 Å²	176	150.2 Å²	150.2	82%	0.822	83%	0.834	S	S	*	*			trans	-92.8	148.4	170.3	-66.7	172.7	161.7	0	0	109.3
165	S	23.6	Very low	25.5	Very low	110 Å²	110	150.3 Å²	150.3	77%	0.769	83%	0.834	S	S	*	*				144.7	120.8	126.4	59	0	0	0	0	113.8
166	D	21.7	Very low	25.9	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	82%	0.822	S	S	*	*			trans	28.1	127	141.8	-63.5	-25.8	0	0	0	120.2
167	H	28.8	Very low	26.4	Very low	196 Å²	196	144.2 Å²	144.2	91%	0.907	80%	0.796	S	S	*	*			trans	-151.9	128	131.1	-106.5	60.4	0	0	0	110.6
168	N	23	Very low	26.7	Very low	154 Å²	154	140.1 Å²	140.1	82%	0.824	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-98.6	116.2	-176.7	-175.3	18.5	0	0	0	109.6
169	P	30	Very low	27	Very low	109 Å²	109	143.1 Å²	143.1	71%	0.708	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-92.5	128.4	174.5	0.3	18.7	0	0	0	111.7
170	Q	26.1	Very low	27.1	Very low	192 Å²	192	141.2 Å²	141.2	90%	0.897	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.9	134.5	176.4	-68.6	-173	-18.1	0	0	112.4	I172	Q170-I172 PolarHBondContact O-N 3.33Å
171	V	25.9	Very low	27.5	Very low	139 Å²	139	140.2 Å²	140.2	84%	0.842	76%	0.762	S	S	*	*			trans	-74.9	115.6	-178.5	177.6	0	0	0	0	110.1
172	I	29.6	Very low	27.7	Very low	157 Å²	157	138 Å²	138	81%	0.805	75%	0.749	S	S	*	*			trans	-81.3	123.8	165.3	-61.9	177.4	0	0	0	107.7	Q170 A174	Q170-I172 PolarHBondContact O-N 3.33Å; I172-A174 PolarHBondContact O-N 2.86Å; I172-A174 VanDerWaalsContact O-N 3.1Å
173	Q	24.4	Very low	28.4	Very low	191 Å²	191	136 Å²	136	89%	0.893	74%	0.74	S	S	*	*			trans	-54.2	111	175.2	-81.8	173.2	-24.4	0	0	110.3
174	A	33.1	Very low	28.6	Very low	74 Å²	74	135.2 Å²	135.2	61%	0.612	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-100.1	125.6	171.5	0	0	0	0	0	108.9	I172	I172-A174 PolarHBondContact O-N 2.86Å; I172-A174 VanDerWaalsContact O-N 3.1Å
175	D	31.3	Very low	29.1	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-49.7	137.4	178.8	-68.5	-43.1	0	0	0	112.6
176	S	33.8	Very low	29.7	Very low	99 Å²	99	132.7 Å²	132.7	69%	0.692	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-63.2	130.5	-174.7	-162	0	0	0	0	111.8	T178	S176-T178 PolarHBondContact O-N 3.44Å; S176-T178 PolarHBondContact OG-OG1 3.28Å
177	L	36.9	Very low	30.5	Very low	57 Å²	57	133.7 Å²	133.7	30%	0.298	72%	0.719	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	13.2	177.8	-93.8	174.2	0	0	0	113.7	F366 K426	L177-F366 HydrophobicContact CD1-CE2 4.43Å; L177-F366 HydrophobicContact CD1-CZ 4.16Å; L177-F366 HydrophobicContact CD2-CZ 4.2Å; L177-K426 HydrophobicContact CD1-CD 4.01Å
178	T	30.9	Very low	31	Very low	113 Å²	113	132.1 Å²	132.1	69%	0.693	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-17.8	-170.9	-19.7	0	0	0	0	114	S176	S176-T178 PolarHBondContact O-N 3.44Å; S176-T178 PolarHBondContact OG-OG1 3.28Å
179	D	29.3	Very low	32.2	Very low	158 Å²	158	128 Å²	128	85%	0.845	69%	0.693	S	S	*	*			trans	-107.5	69.9	-179.2	-71.4	-13.4	0	0	0	111.4
180	M	29.3	Very low	33.5	Very low	86 Å²	86	127.1 Å²	127.1	42%	0.424	68%	0.682	S	S	.	*			trans	-138.4	122.9	156.1	-77.6	-163.2	73.7	0	0	110.5	T182 K422	M180-T182 PolarHBondContact O-N 3.44Å; M180-K422 PolarHBondContact SD-NZ 2.82Å
181	V	30.5	Very low	34.5	Very low	116 Å²	116	118.1 Å²	118.1	70%	0.703	64%	0.64	S	S	*	*			trans	-51.1	124.2	176.7	-174.5	0	0	0	0	109.8	F183	V181-F183 PolarHBondContact O-N 2.87Å
182	T	27.2	Very low	36.1	Very low	95 Å²	95	116 Å²	116	58%	0.583	62%	0.621	S	S	*	*			trans	-59.5	110.9	169.5	41.5	0	0	0	0	108.9	M180 E184	M180-T182 PolarHBondContact O-N 3.44Å; T182-E184 PolarHBondContact O-N 2.98Å
183	F	36	Very low	37.8	Very low	152 Å²	152	117.8 Å²	117.8	67%	0.667	62%	0.617	S	S	*	*			trans	-80.9	69.9	163.7	-68.3	-83.3	0	0	0	108	V181 D185	V181-F183 PolarHBondContact O-N 2.87Å; F183-D185 PolarHBondContact O-N 3.15Å; F183-D185 VanDerWaalsContact O-N 3.12Å
184	E	29.2	Very low	39.2	Very low	162 Å²	162	112.3 Å²	112.3	76%	0.757	59%	0.591	S	S	*	*			trans	-76.1	81.8	160.9	-75	180	177.8	0	0	106.8	T182	T182-E184 PolarHBondContact O-N 2.98Å
185	D	30.9	Very low	40	Very low	119 Å²	119	109.4 Å²	109.4	64%	0.636	57%	0.565	S	S	*	*			trans	-168.4	66.4	167.7	-90.3	-20.1	0	0	0	107.3	F183 E187 R624	F183-D185 PolarHBondContact O-N 3.15Å; F183-D185 VanDerWaalsContact O-N 3.12Å; D185-E187 PolarHBondContact O-N 2.85Å; D185-R624 IonicContact OD2-NH2 2.76Å; D185-R624 PolarHBondContact OD2-NH2 3.42Å; D185-R624 VanDerWaalsContact OD2-NH2 3.08Å
186	T	36.3	Very low	41.4	Very low	114 Å²	114	107.3 Å²	107.3	70%	0.699	55%	0.551	S	S	*	*			trans	-88.9	95.8	162.3	-36.7	0	0	0	0	104.9	D188	T186-D188 PolarHBondContact O-N 3.46Å
187	E	38.1	Very low	42.3	Very low	169 Å²	169	104.8 Å²	104.8	79%	0.79	54%	0.535	S	S	*	.			trans	-53.2	134.8	163.3	-74.5	-179	173.4	0	0	107.6	D185 F189	D185-E187 PolarHBondContact O-N 2.85Å; E187-F189 PolarHBondContact O-N 3.16Å
188	D	39.7	Very low	42.5	Very low	162 Å²	162	105.7 Å²	105.7	87%	0.866	54%	0.537	S	S	*	.			trans	-59.9	83.8	174.6	-78.2	-39.7	0	0	0	109.5	T186 D190	T186-D188 PolarHBondContact O-N 3.46Å; D188-D190 PolarHBondContact O-N 3.24Å; D188-D190 VanDerWaalsContact O-N 3.1Å
189	F	47.2	Very low	43.5	Very low	69 Å²	69	104 Å²	104	30%	0.303	52%	0.523	S	S	.	.			trans	-75.2	99.8	176.2	179.2	-101.8	0	0	0	108.1	E187 F191 F194 A408 A409 I446	E187-F189 PolarHBondContact O-N 3.16Å; F189-F191 VanDerWaalsContact C-N 3.27Å; F189-F191 HydrophobicContact CD1-CB 4.1Å; F189-F191 HydrophobicContact CE1-CB 3.93Å; F189-F191 AromaticContact CE1-CD2 3.88Å; F189-F191 HydrophobicContact CE1-CD2 3.88Å; F189-F191 HydrophobicContact CE1-CG 4.29Å; F189-F191 PolarHBondContact O-N 2.85Å; F189-F194 HydrophobicContact CE2-CB 4.15Å; F189-F194 HydrophobicContact CE2-CD2 4.05Å; F189-F194 AromaticContact CE2-CG 3.97Å; F189-F194 HydrophobicContact CE2-CG 3.97Å; F189-F194 HydrophobicContact CZ-CB 3.89Å; F189-F194 HydrophobicContact CZ-CD1 4.15Å; F189-F194 HydrophobicContact CZ-CD2 4.39Å; F189-F194 AromaticContact CZ-CG 3.84Å; F189-F194 HydrophobicContact CZ-CG 3.84Å; F189-A408 HydrophobicContact CE2-CB 4.19Å; F189-A408 HydrophobicContact CZ-CB 4.37Å; F189-A409 HydrophobicContact CE1-CB 4.41Å; F189-I446 VanDerWaalsContact O-CG2 3.27Å; F189-I446 WeakPolarHBondContact O-CG2 3.46Å
190	D	58.3	Low	44.7	Very low	89 Å²	89	101.5 Å²	101.5	48%	0.476	51%	0.506	S	S	.	.			trans	-69.8	85.7	171.7	-173.3	-14.1	0	0	0	109.9	D188 E192 R193 F194	D188-D190 PolarHBondContact O-N 3.24Å; D188-D190 VanDerWaalsContact O-N 3.1Å; D190-E192 PolarHBondContact O-N 3.47Å; D190-E192 PolarHBondContact OD1-N 3.41Å; D190-R193 HydrophobicContact CB-CB 4.12Å; D190-R193 PolarHBondContact O-N 2.99Å; D190-R193 PolarHBondContact OD1-N 3.29Å; D190-R193 VanDerWaalsContact OD2-CB 3.23Å; D190-R193 WeakPolarHBondContact OD2-CB 2.94Å; D190-F194 WeakPolarHBondContact O-CB 3.43Å; D190-F194 PolarHBondContact O-N 3.15Å
191	F	47.8	Very low	45.4	Very low	3 Å²	3	101.9 Å²	101.9	1%	0.013	52%	0.517	C	S	.	.	H	α-helix	trans	-55.6	-35.8	179.1	-177.2	-81	0	0	0	111.7	F189 V195 V395 Y399 L405 A409 K445	F189-F191 VanDerWaalsContact C-N 3.27Å; F189-F191 HydrophobicContact CD1-CB 4.1Å; F189-F191 HydrophobicContact CE1-CB 3.93Å; F189-F191 AromaticContact CE1-CD2 3.88Å; F189-F191 HydrophobicContact CE1-CD2 3.88Å; F189-F191 HydrophobicContact CE1-CG 4.29Å; F189-F191 PolarHBondContact O-N 2.85Å; F191-V195 HydrophobicContact CD1-CG2 3.84Å; F191-V195 HydrophobicContact CE1-CB 4.5Å; F191-V195 HydrophobicContact CE1-CG2 3.56Å; F191-V195 HydrophobicContact CE2-CG2 4.41Å; F191-V195 HydrophobicContact CG-CG2 4.4Å; F191-V195 HydrophobicContact CZ-CG2 3.87Å; F191-V195 VanDerWaalsContact O-CB 3.27Å; F191-V195 WeakPolarHBondContact O-CB 3.43Å; F191-V195 VanDerWaalsContact O-CG2 3.23Å; F191-V195 WeakPolarHBondContact O-CG2 3.21Å; F191-V195 PolarHBondContact O-N 3.34Å; F191-V395 HydrophobicContact CE1-CG1 4.46Å; F191-V395 HydrophobicContact CZ-CG1 4Å; F191-Y399 HydrophobicContact CE1-CD2 4.18Å; F191-Y399 HydrophobicContact CE1-CG 4.22Å; F191-L405 HydrophobicContact CZ-CD2 4.15Å; F191-A409 HydrophobicContact CD2-CB 4.07Å; F191-A409 HydrophobicContact CE2-CB 3.79Å; F191-K445 HydrophobicContact CB-CB 4.32Å; F191-K445 HydrophobicContact CD1-CB 3.91Å; F191-K445 HydrophobicContact CD1-CD 3.3Å; F191-K445 HydrophobicContact CD1-CG 4.19Å; F191-K445 HydrophobicContact CD2-CB 4.19Å; F191-K445 HydrophobicContact CE1-CB 4.21Å; F191-K445 HydrophobicContact CE1-CD 3.58Å; F191-K445 HydrophobicContact CE1-CG 4.36Å; F191-K445 HydrophobicContact CE2-CB 4.5Å; F191-K445 HydrophobicContact CG-CB 3.89Å; F191-K445 HydrophobicContact CG-CD 4.09Å; F191-K445 HydrophobicContact CZ-CB 4.5Å
192	E	59.1	Low	45.9	Very low	96 Å²	96	100.5 Å²	100.5	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-72.4	-50.1	-175.1	-165	135.4	-126.1	0	0	110.9	D190 F194 V195 Q196 K445	D190-E192 PolarHBondContact O-N 3.47Å; D190-E192 PolarHBondContact OD1-N 3.41Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 2.97Å; E192-V195 PolarHBondContact O-N 3.37Å; E192-Q196 WeakPolarHBondContact O-CB 3.35Å; E192-Q196 PolarHBondContact O-N 2.94Å; E192-K445 IonicContact OE1-NZ 3.72Å; E192-K445 PolarHBondContact OE1-NZ 3.45Å; E192-K445 IonicContact OE2-NZ 3.01Å; E192-K445 PolarHBondContact OE2-NZ 3.21Å
193	R	64.3	Low	46.6	Very low	194 Å²	194	103.6 Å²	103.6	73%	0.732	51%	0.51	S	S	*	.	H	α-helix	trans	-60.6	-39.3	174.7	-174.8	179	170	-162.3	-3.7	112	D190 A197	D190-R193 HydrophobicContact CB-CB 4.12Å; D190-R193 PolarHBondContact O-N 2.99Å; D190-R193 PolarHBondContact OD1-N 3.29Å; D190-R193 VanDerWaalsContact OD2-CB 3.23Å; D190-R193 WeakPolarHBondContact OD2-CB 2.94Å; R193-A197 WeakPolarHBondContact O-CB 3.49Å; R193-A197 PolarHBondContact O-N 3.34Å
194	F	53.4	Low	46.6	Very low	76 Å²	76	104.2 Å²	104.2	33%	0.333	52%	0.517	S	S	.	.	H	α-helix	trans	-71.1	-44.5	-179	-166.8	-77.8	0	0	0	112.7	F189 D190 E192 Q196 A197 K198 H406	F189-F194 HydrophobicContact CE2-CB 4.15Å; F189-F194 HydrophobicContact CE2-CD2 4.05Å; F189-F194 AromaticContact CE2-CG 3.97Å; F189-F194 HydrophobicContact CE2-CG 3.97Å; F189-F194 HydrophobicContact CZ-CB 3.89Å; F189-F194 HydrophobicContact CZ-CD1 4.15Å; F189-F194 HydrophobicContact CZ-CD2 4.39Å; F189-F194 AromaticContact CZ-CG 3.84Å; F189-F194 HydrophobicContact CZ-CG 3.84Å; D190-F194 WeakPolarHBondContact O-CB 3.43Å; D190-F194 PolarHBondContact O-N 3.15Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 2.97Å; F194-Q196 VanDerWaalsContact C-N 3.29Å; F194-Q196 PolarHBondContact O-N 3.09Å; F194-A197 PolarHBondContact O-N 2.94Å; F194-K198 PolarHBondContact O-N 3.45Å; F194-H406 HydrophobicContact CD1-CB 3.95Å; F194-H406 AromaticContact CD1-CG 3.85Å; F194-H406 HydrophobicContact CE1-CB 3.64Å; F194-H406 AromaticContact CE1-CD2 3.23Å; F194-H406 WeakPolarHBondContact CE1-CD2 3.33Å; F194-H406 AromaticContact CE1-CE1 3.53Å; F194-H406 AromaticContact CE1-CG 3.09Å; F194-H406 AromaticContact CE1-ND1 3.29Å; F194-H406 VanDerWaalsContact CE1-ND1 3.29Å; F194-H406 WeakPolarHBondContact CE1-ND1 3.38Å; F194-H406 AromaticContact CE1-NE2 3.53Å; F194-H406 AromaticContact CZ-CD2 3.63Å; F194-H406 AromaticContact CZ-CE1 3.25Å; F194-H406 WeakPolarHBondContact CZ-CE1 3.19Å; F194-H406 AromaticContact CZ-CG 3.71Å; F194-H406 AromaticContact CZ-ND1 3.49Å; F194-H406 WeakPolarHBondContact CZ-ND1 3.17Å; F194-H406 AromaticContact CZ-NE2 3.36Å; F194-H406 WeakPolarHBondContact CZ-NE2 3.29Å
195	V	51.3	Low	46.6	Very low	13 Å²	13	99.2 Å²	99.2	8%	0.079	50%	0.503	C	S	.	.	H	α-helix	trans	-62.8	-40.4	175.4	164.4	0	0	0	0	110.8	F191 E192 K198 L199 Y399	F191-V195 HydrophobicContact CD1-CG2 3.84Å; F191-V195 HydrophobicContact CE1-CB 4.5Å; F191-V195 HydrophobicContact CE1-CG2 3.56Å; F191-V195 HydrophobicContact CE2-CG2 4.41Å; F191-V195 HydrophobicContact CG-CG2 4.4Å; F191-V195 HydrophobicContact CZ-CG2 3.87Å; F191-V195 VanDerWaalsContact O-CB 3.27Å; F191-V195 WeakPolarHBondContact O-CB 3.43Å; F191-V195 VanDerWaalsContact O-CG2 3.23Å; F191-V195 WeakPolarHBondContact O-CG2 3.21Å; F191-V195 PolarHBondContact O-N 3.34Å; E192-V195 PolarHBondContact O-N 3.37Å; V195-K198 PolarHBondContact O-N 3.4Å; V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 PolarHBondContact O-N 2.8Å; V195-Y399 HydrophobicContact CG1-CD1 3.73Å; V195-Y399 HydrophobicContact CG1-CG 4.18Å
196	Q	59.4	Low	46.3	Very low	112 Å²	112	99.9 Å²	99.9	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-41.5	177.7	-165.1	149.1	-4.1	0	0	112	E192 F194 K198 L199 E200	E192-Q196 WeakPolarHBondContact O-CB 3.35Å; E192-Q196 PolarHBondContact O-N 2.94Å; F194-Q196 VanDerWaalsContact C-N 3.29Å; F194-Q196 PolarHBondContact O-N 3.09Å; Q196-K198 VanDerWaalsContact C-N 3.32Å; Q196-K198 PolarHBondContact O-N 3.28Å; Q196-L199 WeakPolarHBondContact O-CB 3.39Å; Q196-L199 PolarHBondContact O-N 3.48Å; Q196-E200 WeakPolarHBondContact O-CB 3.37Å; Q196-E200 WeakPolarHBondContact O-CG 3.5Å; Q196-E200 PolarHBondContact O-N 2.97Å
197	A	53.4	Low	46	Very low	45 Å²	45	100.8 Å²	100.8	37%	0.372	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-39.8	172.6	0	0	0	0	0	112.3	R193 F194 E200 C201	R193-A197 WeakPolarHBondContact O-CB 3.49Å; R193-A197 PolarHBondContact O-N 3.34Å; F194-A197 PolarHBondContact O-N 2.94Å; A197-E200 PolarHBondContact O-N 2.93Å; A197-C201 PolarHBondContact O-N 2.92Å; A197-C201 PolarHBondContact O-SG 3.37Å
198	K	41.3	Very low	45.4	Very low	77 Å²	77	97.7 Å²	97.7	34%	0.335	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-39.1	176.5	-154.1	-178	-177.2	-162.4	0	111.9	F194 V195 Q196 E200 C201 I202	F194-K198 PolarHBondContact O-N 3.45Å; V195-K198 PolarHBondContact O-N 3.4Å; Q196-K198 VanDerWaalsContact C-N 3.32Å; Q196-K198 PolarHBondContact O-N 3.28Å; K198-E200 VanDerWaalsContact C-N 3.33Å; K198-C201 PolarHBondContact O-N 3.35Å; K198-I202 WeakPolarHBondContact O-CD1 3.23Å; K198-I202 VanDerWaalsContact O-CG1 3.32Å; K198-I202 WeakPolarHBondContact O-CG1 3.22Å; K198-I202 PolarHBondContact O-N 2.88Å
199	L	51	Low	44.7	Very low	76 Å²	76	96 Å²	96	40%	0.398	51%	0.512	S	S	.	.	H	α-helix	trans	-63.5	-36.8	172.5	-88.4	150.5	0	0	0	112.1	V195 Q196 I202 K203	V195-L199 HydrophobicContact CG1-CD1 3.76Å; V195-L199 PolarHBondContact O-N 2.8Å; Q196-L199 WeakPolarHBondContact O-CB 3.39Å; Q196-L199 PolarHBondContact O-N 3.48Å; L199-I202 PolarHBondContact O-N 2.84Å; L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3Å; L199-K203 VanDerWaalsContact O-N 3.16Å
200	E	56.1	Low	43.6	Very low	106 Å²	106	97.5 Å²	97.5	50%	0.495	53%	0.531	S	S	.	.	H	α-helix	trans	-70.4	-41.3	176.2	-76.2	176.7	-178	0	0	112.5	Q196 A197 K198 I202 K203 M204	Q196-E200 WeakPolarHBondContact O-CB 3.37Å; Q196-E200 WeakPolarHBondContact O-CG 3.5Å; Q196-E200 PolarHBondContact O-N 2.97Å; A197-E200 PolarHBondContact O-N 2.93Å; K198-E200 VanDerWaalsContact C-N 3.33Å; E200-I202 PolarHBondContact O-N 3.01Å; E200-K203 WeakPolarHBondContact O-CB 3.45Å; E200-K203 PolarHBondContact O-N 2.79Å; E200-K203 VanDerWaalsContact O-N 3.09Å; E200-M204 WeakPolarHBondContact O-CG 3.49Å; E200-M204 PolarHBondContact O-N 3.46Å; E200-M204 VanDerWaalsContact O-N 3.15Å
201	C	42.6	Very low	42.1	Very low	95 Å²	95	101.4 Å²	101.4	64%	0.642	55%	0.552	S	S	*	*	H	α-helix	trans	-60.1	-32.9	173.3	-74.8	0	0	0	0	112.8	A197 K198 M204	A197-C201 PolarHBondContact O-N 2.92Å; A197-C201 PolarHBondContact O-SG 3.37Å; K198-C201 PolarHBondContact O-N 3.35Å; C201-M204 PolarHBondContact O-N 3.42Å
202	I	41.5	Very low	41.1	Very low	86 Å²	86	109.8 Å²	109.8	44%	0.441	59%	0.591	S	S	.	*	H	α-helix	trans	-74.1	-34.5	176.2	-66.3	161.7	0	0	0	111.1	K198 L199 E200 M204 A205 I403	K198-I202 WeakPolarHBondContact O-CD1 3.23Å; K198-I202 VanDerWaalsContact O-CG1 3.32Å; K198-I202 WeakPolarHBondContact O-CG1 3.22Å; K198-I202 PolarHBondContact O-N 2.88Å; L199-I202 PolarHBondContact O-N 2.84Å; E200-I202 PolarHBondContact O-N 3.01Å; I202-M204 PolarHBondContact O-N 3.21Å; I202-A205 PolarHBondContact O-N 2.72Å; I202-I403 HydrophobicContact CD1-CD1 4Å
203	K	42.3	Very low	39.6	Very low	160 Å²	160	110.7 Å²	110.7	70%	0.696	61%	0.606	S	S	*	*	H	α-helix	trans	-66.4	-21.5	172.9	-70.1	172.5	-175.5	178	0	113.1	L199 E200 A205	L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 3Å; L199-K203 VanDerWaalsContact O-N 3.16Å; E200-K203 WeakPolarHBondContact O-CB 3.45Å; E200-K203 PolarHBondContact O-N 2.79Å; E200-K203 VanDerWaalsContact O-N 3.09Å; K203-A205 VanDerWaalsContact C-N 3.31Å
204	M	35.4	Very low	37.8	Very low	166 Å²	166	106.8 Å²	106.8	82%	0.818	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-1.1	177.5	-60	-127.2	89.7	0	0	113.9	E200 C201 I202	E200-M204 WeakPolarHBondContact O-CG 3.49Å; E200-M204 PolarHBondContact O-N 3.46Å; E200-M204 VanDerWaalsContact O-N 3.15Å; C201-M204 PolarHBondContact O-N 3.42Å; I202-M204 PolarHBondContact O-N 3.21Å
205	A	28.8	Very low	36.6	Very low	56 Å²	56	108.6 Å²	108.6	46%	0.463	63%	0.63	S	S	.	*	S	Bend	trans	-72	133.6	167.4	0	0	0	0	0	109.8	I202 K203 T207	I202-A205 PolarHBondContact O-N 2.72Å; K203-A205 VanDerWaalsContact C-N 3.31Å; A205-T207 PolarHBondContact O-N 3.42Å
206	P	25.8	Very low	35.8	Very low	133 Å²	133	114.1 Å²	114.1	86%	0.864	67%	0.666	S	S	*	*			trans	-68.1	108.4	-167.2	27	-32.5	0	0	0	110.1
207	T	29	Very low	34.4	Very low	133 Å²	133	114.9 Å²	114.9	82%	0.816	68%	0.684	S	S	*	*			trans	-114.6	122.1	161.8	41.9	0	0	0	0	107.9	A205	A205-T207 PolarHBondContact O-N 3.42Å
208	S	25.1	Very low	33.1	Very low	105 Å²	105	116.5 Å²	116.5	73%	0.734	71%	0.705	S	S	*	*			trans	-63.1	143.5	177.6	44.3	0	0	0	0	112.2
209	T	25.3	Very low	32.4	Very low	126 Å²	126	124.1 Å²	124.1	77%	0.773	73%	0.731	S	S	*	*			trans	67.9	104.4	153.4	48.6	0	0	0	0	119.1
210	S	24.9	Very low	31.5	Very low	100 Å²	100	128.7 Å²	128.7	70%	0.699	76%	0.755	S	S	*	*			trans	37.4	112.9	131.2	62.4	0	0	0	0	118.8
211	D	26.6	Very low	30.4	Very low	172 Å²	172	129.5 Å²	129.5	92%	0.92	77%	0.773	S	S	*	*				-155.3	134.7	125.6	-94.9	-29.7	0	0	0	111.5
212	Q	25.8	Very low	29.8	Very low	178 Å²	178	128.4 Å²	128.4	83%	0.832	78%	0.777	S	S	*	*			trans	-76.9	155.2	-179	-80.9	-84.6	-21.8	0	0	111.6
213	P	29.4	Very low	29.5	Very low	116 Å²	116	130.7 Å²	130.7	75%	0.753	80%	0.795	S	S	*	*			trans	-94.9	126.8	-165.5	34.7	-28.1	0	0	0	112.5
214	S	24.8	Very low	29	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	80%	0.799	S	S	*	*			trans	-148	93.1	165.5	62.6	0	0	0	0	111.5
215	S	28	Very low	29	Very low	115 Å²	115	125.4 Å²	125.4	80%	0.804	78%	0.778	S	S	*	*			trans	-177.5	139.4	135.5	-92	0	0	0	0	113.3	S217	S215-S217 PolarHBondContact O-N 3.33Å
216	P	34.5	Very low	29.4	Very low	129 Å²	129	128 Å²	128	84%	0.838	79%	0.79	S	S	*	*			trans	-88.8	96.2	-174.6	35	-30.4	0	0	0	111
217	S	30.1	Very low	30	Very low	128 Å²	128	124.5 Å²	124.5	90%	0.895	77%	0.773	S	S	*	*			trans	-120.6	71.2	164.2	-81.8	0	0	0	0	110.2	S215	S215-S217 PolarHBondContact O-N 3.33Å
218	G	27.2	Very low	30.7	Very low	78 Å²	78	120.5 Å²	120.5	80%	0.804	75%	0.754	S	S	*	*			trans	-130.9	67.6	169.8	0	0	0	0	0	109.6
219	R	27	Very low	31.4	Very low	237 Å²	237	121.4 Å²	121.4	89%	0.894	75%	0.748	S	S	*	*			trans	-156.6	56.2	175.6	-146.1	179.3	-168.9	176	3.2	114.7
220	L	30.7	Very low	32.5	Very low	173 Å²	173	118.6 Å²	118.6	91%	0.906	74%	0.737	S	S	*	*	S	Bend	trans	-145.1	51.6	160.7	-74.1	178.9	0	0	0	111.7
221	S	33.1	Very low	33.3	Very low	123 Å²	123	120.9 Å²	120.9	86%	0.86	74%	0.741	S	S	*	*	S	Bend	trans	-150.5	89.7	156.9	67.9	0	0	0	0	108.1
222	G	30.6	Very low	34	Very low	71 Å²	71	120 Å²	120	73%	0.732	73%	0.731	S	S	*	*			trans	159.2	5.8	-179.6	0	0	0	0	0	116.9	Q224	G222-Q224 PolarHBondContact O-N 3.3Å
223	V	36.3	Very low	34.5	Very low	135 Å²	135	117.6 Å²	117.6	82%	0.818	72%	0.724	S	S	*	*			trans	-75.7	87	169.4	-173.9	0	0	0	0	108	A225	V223-A225 PolarHBondContact O-N 3.43Å
224	Q	30.5	Very low	34.8	Very low	169 Å²	169	120.8 Å²	120.8	79%	0.79	73%	0.726	S	S	*	*			trans	-65.5	116.7	166.9	-141.1	162.7	13.4	0	0	107	G222	G222-Q224 PolarHBondContact O-N 3.3Å
225	A	35.8	Very low	35	Very low	45 Å²	45	124.8 Å²	124.8	37%	0.372	73%	0.729	S	S	.	*			trans	-62.2	135.3	-174.4	0	0	0	0	0	110.8	V223 A227 A228	V223-A225 PolarHBondContact O-N 3.43Å; A225-A227 PolarHBondContact O-N 2.69Å; A225-A228 WeakPolarHBondContact O-CB 3.38Å; A225-A228 PolarHBondContact O-N 3.02Å
226	P	37.2	Very low	35.1	Very low	110 Å²	110	130.5 Å²	130.5	71%	0.714	73%	0.733	S	S	*	*	H	α-helix	trans	-53.1	-28	-178.3	-26.7	32.5	0	0	0	114.4	A228 M229	P226-A228 PolarHBondContact O-N 3.44Å; P226-M229 PolarHBondContact O-N 2.75Å
227	A	38.5	Very low	34.8	Very low	60 Å²	60	132.1 Å²	132.1	50%	0.496	74%	0.735	S	S	.	*	H	α-helix	trans	-61.1	-26.3	175.9	0	0	0	0	0	113.6	A225	A225-A227 PolarHBondContact O-N 2.69Å
228	A	43.5	Very low	34.9	Very low	50 Å²	50	133.6 Å²	133.6	41%	0.413	73%	0.732	S	S	.	*	H	α-helix	trans	-74.2	-29.8	178	0	0	0	0	0	113	A225 P226	A225-A228 WeakPolarHBondContact O-CB 3.38Å; A225-A228 PolarHBondContact O-N 3.02Å; P226-A228 PolarHBondContact O-N 3.44Å
229	M	39.6	Very low	35.1	Very low	124 Å²	124	134.6 Å²	134.6	61%	0.611	73%	0.725	S	S	*	*	H	α-helix	trans	-67.9	-39.7	174.6	-81.1	-86.3	-162.2	0	0	111.4	P226 L231 Q232	P226-M229 PolarHBondContact O-N 2.75Å; M229-L231 PolarHBondContact O-N 3.08Å; M229-L231 VanDerWaalsContact O-N 3.11Å; M229-Q232 PolarHBondContact O-N 2.72Å
230	A	47.9	Very low	35.1	Very low	66 Å²	66	130.3 Å²	130.3	55%	0.545	72%	0.72	S	S	.	*	H	α-helix	trans	-64.2	-20.7	-176.9	0	0	0	0	0	114.3
231	L	42.9	Very low	35.1	Very low	149 Å²	149	130.1 Å²	130.1	78%	0.78	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-18.5	175.3	-75.7	166.7	0	0	0	113.2	M229	M229-L231 PolarHBondContact O-N 3.08Å; M229-L231 VanDerWaalsContact O-N 3.11Å
232	Q	40.4	Very low	34.7	Very low	153 Å²	153	130 Å²	130	72%	0.715	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-28.8	-178.3	-69.6	-173.9	-5	0	0	113.2	M229	M229-Q232 PolarHBondContact O-N 2.72Å
233	D	36.7	Very low	34.6	Very low	128 Å²	128	129.7 Å²	129.7	68%	0.684	71%	0.714	S	S	*	*	S	Bend	trans	-91.3	4.7	-172.1	-78.8	-31.5	0	0	0	116.2	K235	D233-K235 PolarHBondContact O-N 3.45Å
234	K	35.1	Very low	34.1	Very low	182 Å²	182	132.4 Å²	132.4	79%	0.791	72%	0.718	S	S	*	*			trans	-83.9	43.6	175.5	-76	-166.1	176.1	-176.2	0	114.7
235	K	29.2	Very low	34.1	Very low	196 Å²	196	131.8 Å²	131.8	85%	0.852	72%	0.72	S	S	*	*			trans	-136.8	55.8	164.4	-81.2	-167.9	178.3	179.8	0	111.8	D233	D233-K235 PolarHBondContact O-N 3.45Å
236	R	31	Very low	33.8	Very low	235 Å²	235	138 Å²	138	89%	0.887	75%	0.747	S	S	*	*			trans	-137.6	101.8	157.2	-68.1	-169.7	178.3	176.5	0.7	108.8
237	N	27.1	Very low	33.6	Very low	162 Å²	162	138 Å²	138	87%	0.866	75%	0.749	S	S	*	*			trans	-69.3	125.1	163.5	-77	-20.7	0	0	0	107.3
238	D	32	Very low	33.3	Very low	159 Å²	159	144.5 Å²	144.5	85%	0.85	77%	0.766	S	S	*	*			trans	-131.7	128.8	149.5	-99	-39.8	0	0	0	109.1
239	P	32.5	Very low	33.2	Very low	99 Å²	99	147.7 Å²	147.7	64%	0.643	78%	0.783	S	S	*	*			trans	-90.1	162.8	-178.6	36.8	-31.8	0	0	0	111
240	N	25.9	Very low	33.4	Very low	147 Å²	147	147.7 Å²	147.7	79%	0.786	80%	0.795	S	S	*	*			trans	89.5	97.3	175.9	-54.7	-29.8	0	0	0	115
241	I	30.4	Very low	33.1	Very low	169 Å²	169	150.8 Å²	150.8	87%	0.867	81%	0.807	S	S	*	*				-145.1	104.2	118.3	-85.9	139.7	0	0	0	106.4
242	S	25.1	Very low	34.1	Very low	122 Å²	122	151.1 Å²	151.1	85%	0.853	80%	0.803	S	S	*	*			trans	-77.9	119.1	156.6	40.9	0	0	0	0	107.4
243	G	28.2	Very low	35.4	Very low	64 Å²	64	149 Å²	149	66%	0.66	80%	0.797	S	S	*	*			trans	-168.2	96.4	177.9	0	0	0	0	0	110	N245	G243-N245 PolarHBondContact O-N 3.44Å
244	Q	26.4	Very low	37.1	Very low	192 Å²	192	149.8 Å²	149.8	90%	0.897	80%	0.798	S	S	*	*			trans	-52	125.3	165.9	-71.4	172.4	-36.1	0	0	109.2
245	N	30.5	Very low	38.5	Very low	156 Å²	156	149.5 Å²	149.5	83%	0.834	80%	0.797	S	S	*	*			trans	-148.9	103	151.5	-99.2	-19.6	0	0	0	109.9	G243 S247	G243-N245 PolarHBondContact O-N 3.44Å; N245-S247 PolarHBondContact O-N 2.83Å
246	N	29.5	Very low	40.4	Very low	174 Å²	174	143.2 Å²	143.2	93%	0.93	78%	0.782	S	S	*	*			trans	-57.4	109	156.1	-92.6	-22.5	0	0	0	108.4
247	S	33.3	Very low	41.4	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	78%	0.784	S	S	*	*			trans	-148.9	142.1	157.2	61.2	0	0	0	0	110.6	N245	N245-S247 PolarHBondContact O-N 2.83Å
248	K	33.3	Very low	42.4	Very low	197 Å²	197	142.8 Å²	142.8	86%	0.857	79%	0.785	S	S	*	*			trans	-61.7	157	-165.6	-70.7	171.2	178.6	175.6	0	112.7	S250	K248-S250 PolarHBondContact O-N 3.07Å; K248-S250 VanDerWaalsContact O-N 3.17Å
249	P	41	Very low	43.2	Very low	118 Å²	118	143.5 Å²	143.5	77%	0.766	78%	0.78	S	S	*	*			trans	-62.3	119	-174.2	25	-33.2	0	0	0	111	T251	P249-T251 PolarHBondContact O-N 2.97Å
250	S	42.7	Very low	43.8	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	79%	0.79	S	S	*	*			trans	-60.2	107	174.1	57.7	0	0	0	0	108.9	K248	K248-S250 PolarHBondContact O-N 3.07Å; K248-S250 VanDerWaalsContact O-N 3.17Å
251	T	41.9	Very low	44.7	Very low	131 Å²	131	144.9 Å²	144.9	80%	0.804	78%	0.78	S	S	*	*			trans	-79.5	124.7	171.7	-45.3	0	0	0	0	106.7	P249 D253	P249-T251 PolarHBondContact O-N 2.97Å; T251-D253 PolarHBondContact O-N 2.9Å; T251-D253 VanDerWaalsContact O-N 3.13Å
252	F	64.7	Low	45.4	Very low	157 Å²	157	143.6 Å²	143.6	69%	0.689	77%	0.77	S	S	*	*			trans	-63	108.4	-178.5	175.4	-101.1	0	0	0	110.4
253	D	67.1	Low	46.5	Very low	109 Å²	109	144.8 Å²	144.8	58%	0.583	77%	0.766	S	S	*	*			trans	-99.8	115.8	177.1	-173.5	-4.5	0	0	0	110	T251 F255	T251-D253 PolarHBondContact O-N 2.9Å; T251-D253 VanDerWaalsContact O-N 3.13Å; D253-F255 PolarHBondContact O-N 2.81Å; D253-F255 PolarHBondContact OD1-N 2.69Å; D253-F255 VanDerWaalsContact OD1-N 3.1Å
254	M	71.5	Confident	47.5	Very low	143 Å²	143	148.2 Å²	148.2	70%	0.704	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-16.7	-176.4	-176.1	177.6	-64.3	0	0	113.6
255	F	64.5	Low	48.2	Very low	176 Å²	176	145.3 Å²	145.3	77%	0.772	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	10.8	-169.9	-61.1	-80.5	0	0	0	114.8	D253	D253-F255 PolarHBondContact O-N 2.81Å; D253-F255 PolarHBondContact OD1-N 2.69Å; D253-F255 VanDerWaalsContact OD1-N 3.1Å
256	A	69.1	Low	49	Very low	65 Å²	65	140 Å²	140	54%	0.537	73%	0.728	S	S	.	*			trans	-70.2	137.4	178.6	0	0	0	0	0	112.4
257	E	52.7	Low	49.3	Very low	201 Å²	201	138.5 Å²	138.5	94%	0.939	73%	0.728	S	S	*	*	S	Bend	trans	-75.4	-19.1	-176.8	-75.2	-176	152.6	0	0	114.2
258	E	47.9	Very low	50.1	Low	187 Å²	187	137.1 Å²	137.1	87%	0.874	73%	0.731	S	S	*	*			trans	-113.2	120.4	178.2	-80	-178	158.1	0	0	111.1
259	F	49.8	Very low	50.7	Low	173 Å²	173	131.5 Å²	131.5	76%	0.759	71%	0.713	S	S	*	*			trans	-117.5	101.8	-171.1	179.4	-117.9	0	0	0	110.4	V261	F259-V261 HydrophobicContact CD1-CG2 3.61Å; F259-V261 HydrophobicContact CE1-CB 4.31Å; F259-V261 HydrophobicContact CE1-CG2 3Å; F259-V261 HydrophobicContact CE2-CG2 4.32Å; F259-V261 HydrophobicContact CZ-CB 4.39Å; F259-V261 HydrophobicContact CZ-CG2 3.41Å; F259-V261 VanDerWaalsContact CZ-CG2 3.41Å
260	E	44.5	Very low	50.9	Low	184 Å²	184	132.2 Å²	132.2	86%	0.86	71%	0.708	S	S	*	*			trans	-91.5	111.8	161.4	-102.9	-172.3	156	0	0	108.9	E262	E260-E262 VanDerWaalsContact C-N 3.34Å; E260-E262 PolarHBondContact O-N 3.4Å
261	V	45.5	Very low	51.2	Low	92 Å²	92	128.8 Å²	128.8	56%	0.558	69%	0.687	S	S	*	*			trans	-73.5	88.1	173.5	-171.4	0	0	0	0	108.7	F259 L263	F259-V261 HydrophobicContact CD1-CG2 3.61Å; F259-V261 HydrophobicContact CE1-CB 4.31Å; F259-V261 HydrophobicContact CE1-CG2 3Å; F259-V261 HydrophobicContact CE2-CG2 4.32Å; F259-V261 HydrophobicContact CZ-CB 4.39Å; F259-V261 HydrophobicContact CZ-CG2 3.41Å; F259-V261 VanDerWaalsContact CZ-CG2 3.41Å; V261-L263 PolarHBondContact O-N 2.7Å
262	E	43.6	Very low	51.6	Low	141 Å²	141	129.2 Å²	129.2	66%	0.659	68%	0.684	S	S	*	*			trans	-69.9	122.2	156	-79.4	-168.1	155.8	0	0	108.4	E260 H264 H265	E260-E262 VanDerWaalsContact C-N 3.34Å; E260-E262 PolarHBondContact O-N 3.4Å; E262-H264 PolarHBondContact O-N 3.21Å; E262-H265 PolarHBondContact O-N 3.33Å
263	L	49.4	Very low	50.5	Low	148 Å²	148	124.7 Å²	124.7	78%	0.775	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.7	-10.7	-172.6	-107.6	99	0	0	0	116	V261	V261-L263 PolarHBondContact O-N 2.7Å
264	H	47.7	Very low	49.7	Very low	135 Å²	135	121.9 Å²	121.9	63%	0.625	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-0.7	-175.2	-65.3	-52.3	0	0	0	115.2	E262	E262-H264 PolarHBondContact O-N 3.21Å
265	H	42.6	Very low	48.6	Very low	131 Å²	131	121.6 Å²	121.6	61%	0.606	67%	0.672	S	S	*	*			trans	-123	16.6	-177.9	-71.4	77.5	0	0	0	114.8	E262	E262-H265 PolarHBondContact O-N 3.33Å
266	A	46.1	Very low	47.7	Very low	44 Å²	44	117.5 Å²	117.5	36%	0.364	67%	0.671	S	S	.	*	S	Bend	trans	-64.4	137.2	172	0	0	0	0	0	110.7	G268 T269	A266-G268 PolarHBondContact O-N 2.86Å; A266-T269 PolarHBondContact N-OG1 3.11Å; A266-T269 PolarHBondContact O-N 2.95Å; A266-T269 PolarHBondContact O-OG1 3.42Å
267	P	37.4	Very low	46.7	Very low	144 Å²	144	118 Å²	118	94%	0.935	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	112	175.9	-21.1	31.2	0	0	0	110.3
268	G	50.2	Low	46.5	Very low	81 Å²	81	116 Å²	116	84%	0.835	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	115.7	-15.6	-177.2	0	0	0	0	0	115	A266	A266-G268 PolarHBondContact O-N 2.86Å
269	T	44.8	Very low	46.7	Very low	78 Å²	78	111.5 Å²	111.5	48%	0.479	64%	0.643	S	S	.	*			trans	-102.3	109.5	170.6	48.1	0	0	0	0	109.8	A266	A266-T269 PolarHBondContact N-OG1 3.11Å; A266-T269 PolarHBondContact O-N 2.95Å; A266-T269 PolarHBondContact O-OG1 3.42Å
270	M	46	Very low	46.8	Very low	134 Å²	134	111.6 Å²	111.6	66%	0.66	65%	0.645	S	S	*	*			trans	-82.6	139.1	170.1	-76.4	-87.6	-90	0	0	109.7	A274	M270-A274 HydrophobicContact CB-CB 4.39Å; M270-A274 HydrophobicContact CE-CB 3.42Å; M270-A274 VanDerWaalsContact CE-CB 3.42Å; M270-A274 HydrophobicContact SD-CB 4.03Å
271	A	47.5	Very low	47.2	Very low	50 Å²	50	107.4 Å²	107.4	41%	0.413	64%	0.642	S	S	.	*			trans	-59.4	145.4	171.1	0	0	0	0	0	110.9	G273 A274	A271-G273 PolarHBondContact O-N 3.48Å; A271-A274 WeakPolarHBondContact O-CB 3.39Å; A271-A274 PolarHBondContact O-N 2.85Å
272	L	51.3	Low	47.7	Very low	140 Å²	140	106.1 Å²	106.1	73%	0.733	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-54.3	-27.4	-174.8	-157.2	78	0	0	0	113.3	M275	L272-M275 HydrophobicContact CD1-CE 3.79Å; L272-M275 HydrophobicContact CG-CE 4.25Å
273	G	41.4	Very low	48.2	Very low	62 Å²	62	102.9 Å²	102.9	64%	0.639	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-77.4	-20.1	177.2	0	0	0	0	0	115.3	A271 M275 A276	A271-G273 PolarHBondContact O-N 3.48Å; G273-M275 PolarHBondContact O-N 3.26Å; G273-A276 PolarHBondContact O-N 2.93Å
274	A	51.2	Low	48.8	Very low	50 Å²	50	102.4 Å²	102.4	41%	0.413	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-75.1	-4.3	176.8	0	0	0	0	0	113	M270 A271 A276	M270-A274 HydrophobicContact CB-CB 4.39Å; M270-A274 HydrophobicContact CE-CB 3.42Å; M270-A274 VanDerWaalsContact CE-CB 3.42Å; M270-A274 HydrophobicContact SD-CB 4.03Å; A271-A274 WeakPolarHBondContact O-CB 3.39Å; A271-A274 PolarHBondContact O-N 2.85Å; A274-A276 PolarHBondContact O-N 3.46Å
275	M	47	Very low	50.2	Low	137 Å²	137	100.1 Å²	100.1	68%	0.675	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-74.4	-10.1	170	-68.1	-154.4	-75.9	0	0	113.6	L272 G273	L272-M275 HydrophobicContact CD1-CE 3.79Å; L272-M275 HydrophobicContact CG-CE 4.25Å; G273-M275 PolarHBondContact O-N 3.26Å
276	A	46.2	Very low	52.1	Low	90 Å²	90	97.6 Å²	97.6	74%	0.744	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-89.6	-3	-169.6	0	0	0	0	0	115.7	G273 A274	G273-A276 PolarHBondContact O-N 2.93Å; A274-A276 PolarHBondContact O-N 3.46Å
277	S	47	Very low	54	Low	76 Å²	76	96.6 Å²	96.6	53%	0.531	59%	0.589	S	S	.	*			trans	-102.9	81.6	174.7	-170.8	0	0	0	0	110	N279	S277-N279 PolarHBondContact O-N 3.49Å; S277-N279 PolarHBondContact OG-ND2 3.33Å; S277-N279 VanDerWaalsContact OG-ND2 3.13Å; S277-N279 PolarHBondContact OG-OD1 3.3Å
278	E	50	Low	56.5	Low	160 Å²	160	92.3 Å²	92.3	75%	0.748	56%	0.558	S	S	*	*			trans	-69.4	69.4	167.3	-71.5	-179.3	164	0	0	109.6	H280	E278-H280 PolarHBondContact O-N 2.96Å
279	N	50.8	Low	58.2	Low	91 Å²	91	93.8 Å²	93.8	49%	0.487	56%	0.563	S	S	.	*			trans	-75	106.7	172.4	-75	-25.7	0	0	0	109	S277 A281 L282	S277-N279 PolarHBondContact O-N 3.49Å; S277-N279 PolarHBondContact OG-ND2 3.33Å; S277-N279 VanDerWaalsContact OG-ND2 3.13Å; S277-N279 PolarHBondContact OG-OD1 3.3Å; N279-A281 PolarHBondContact O-N 3.11Å; N279-L282 HydrophobicContact CB-CD1 4.05Å; N279-L282 HydrophobicContact CB-CG 4.06Å; N279-L282 WeakPolarHBondContact O-CB 3.39Å; N279-L282 PolarHBondContact O-N 2.91Å
280	H	52.9	Low	60.3	Low	176 Å²	176	95.5 Å²	95.5	82%	0.815	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-54.7	-22.1	173.4	-77	-87.1	0	0	0	113.6	E278 L282 S283	E278-H280 PolarHBondContact O-N 2.96Å; H280-L282 PolarHBondContact O-N 3.47Å; H280-S283 PolarHBondContact O-N 3.31Å
281	A	52.3	Low	62.3	Low	95 Å²	95	89.5 Å²	89.5	79%	0.785	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-67.8	-11.4	174.2	0	0	0	0	0	114.4	N279	N279-A281 PolarHBondContact O-N 3.11Å
282	L	56.7	Low	64.5	Low	66 Å²	66	87.6 Å²	87.6	35%	0.346	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-95.5	21.7	178.1	-60.4	176.7	0	0	0	112.6	N279 H280 D284 N285 W286	N279-L282 HydrophobicContact CB-CD1 4.05Å; N279-L282 HydrophobicContact CB-CG 4.06Å; N279-L282 WeakPolarHBondContact O-CB 3.39Å; N279-L282 PolarHBondContact O-N 2.91Å; H280-L282 PolarHBondContact O-N 3.47Å; L282-D284 PolarHBondContact O-N 3.26Å; L282-N285 HydrophobicContact CB-CB 4.21Å; L282-N285 WeakPolarHBondContact O-CB 3.31Å; L282-N285 PolarHBondContact O-N 2.94Å; L282-W286 PolarHBondContact O-NE1 3.1Å
283	S	53.5	Low	66.5	Low	72 Å²	72	81.1 Å²	81.1	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-53.2	-38.3	175.6	55.6	0	0	0	0	112	H280 N285 W286	H280-S283 PolarHBondContact O-N 3.31Å; S283-N285 PolarHBondContact O-N 3.04Å; S283-W286 PolarHBondContact O-N 3.26Å
284	D	61.5	Low	68.9	Low	138 Å²	138	84.4 Å²	84.4	74%	0.738	48%	0.479	S	S	*	.	H	α-helix	trans	-64	-16	175.8	-163.1	34.3	0	0	0	113.6	L282	L282-D284 PolarHBondContact O-N 3.26Å
285	N	78.1	Confident	70.8	Confident	88 Å²	88	82.6 Å²	82.6	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-87.1	-21.8	-179.6	-70.7	39.5	0	0	0	113.5	L282 S283	L282-N285 HydrophobicContact CB-CB 4.21Å; L282-N285 WeakPolarHBondContact O-CB 3.31Å; L282-N285 PolarHBondContact O-N 2.94Å; S283-N285 PolarHBondContact O-N 3.04Å
286	W	82.4	Confident	73	Confident	78 Å²	78	83.3 Å²	83.3	30%	0.295	46%	0.458	S	S	.	.	H	α-helix	trans	-86.7	-31	-174.7	-60.4	115.6	0	0	0	112.6	L282 S283 Y293 R294 K378	L282-W286 PolarHBondContact O-NE1 3.1Å; S283-W286 PolarHBondContact O-N 3.26Å; W286-Y293 HydrophobicContact CB-CD2 4.25Å; W286-Y293 HydrophobicContact CB-CE2 4.01Å; W286-Y293 HydrophobicContact CE3-CE2 4.35Å; W286-R294 WeakPolarHBondContact O-CB 3.2Å; W286-R294 VanDerWaalsContact O-CG 3.32Å; W286-R294 WeakPolarHBondContact O-CG 3.45Å; W286-R294 PolarHBondContact O-N 2.87Å; W286-K378 HydrophobicContact CB-CD 4.28Å; W286-K378 HydrophobicContact CD2-CD 3.75Å; W286-K378 VanDerWaalsContact CD2-NZ 3.26Å; W286-K378 HydrophobicContact CE3-CD 4.23Å; W286-K378 HydrophobicContact CG-CD 3.75Å
287	D	86.8	Confident	75.3	Confident	23 Å²	23	82.5 Å²	82.5	12%	0.123	44%	0.44	C	S	.	.	B	Isolated β-bridge	trans	-97.1	151.2	-177.4	-61.8	1.6	0	0	0	109.1	Y292 R294 N339 H380	D287-Y292 CarbonylContact C-O 3.58Å; D287-Y292 VanDerWaalsContact CA-O 3.31Å; D287-Y292 WeakPolarHBondContact CA-O 3.39Å; D287-R294 VanDerWaalsContact O-CZ 3.31Å; D287-R294 PolarHBondContact O-NE 3.42Å; D287-N339 WeakPolarHBondContact OD2-CB 3.45Å; D287-N339 PolarHBondContact OD2-ND2 3.26Å; D287-H380 IonicContact OD1-CD2 3.77Å; D287-H380 IonicContact OD1-CE1 3.62Å; D287-H380 IonicContact OD1-NE2 2.59Å; D287-H380 PolarHBondContact OD1-NE2 3.23Å; D287-H380 IonicContact OD2-NE2 2.85Å
288	D	87.9	Confident	77.5	Confident	53 Å²	53	81.4 Å²	81.4	28%	0.283	44%	0.441	S	S	.	.			trans	-80.9	176.9	162.5	69.6	11.3	0	0	0	111.6	E290 G291 Y292 R294	D288-E290 PolarHBondContact O-N 3.42Å; D288-E290 WeakPolarHBondContact OD1-CA 3.44Å; D288-E290 WeakPolarHBondContact OD1-CB 3.44Å; D288-E290 PolarHBondContact OD1-N 2.97Å; D288-G291 PolarHBondContact O-N 2.96Å; D288-G291 PolarHBondContact OD1-N 3.38Å; D288-Y292 PolarHBondContact N-O 3.04Å; D288-Y292 PolarHBondContact OD1-N 3.46Å; D288-Y292 WeakPolarHBondContact OD2-CB 3.31Å; D288-Y292 WeakPolarHBondContact OD2-CD2 3.39Å; D288-R294 HydrophobicContact CB-CG 4.43Å
289	A	86.9	Confident	79.6	Confident	113 Å²	113	75.2 Å²	75.2	93%	0.934	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.1	-179.7	0	0	0	0	0	113.3
290	E	88	Confident	81.7	Confident	113 Å²	113	74.6 Å²	74.6	53%	0.528	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-21.9	176.8	-77.2	-163.3	-145.3	0	0	111.6	D288 Y292 R338	D288-E290 PolarHBondContact O-N 3.42Å; D288-E290 WeakPolarHBondContact OD1-CA 3.44Å; D288-E290 WeakPolarHBondContact OD1-CB 3.44Å; D288-E290 PolarHBondContact OD1-N 2.97Å; E290-Y292 HydrophobicContact CB-CD2 3.73Å; E290-Y292 HydrophobicContact CB-CE2 3.87Å; E290-R338 VanDerWaalsContact C-NH2 3.34Å; E290-R338 VanDerWaalsContact CA-NH2 3.31Å; E290-R338 PolarHBondContact O-NE 2.95Å; E290-R338 PolarHBondContact O-NH2 3.19Å; E290-R338 IonicContact OE2-CZ 3.71Å; E290-R338 IonicContact OE2-NH1 2.81Å; E290-R338 PolarHBondContact OE2-NH1 3.36Å; E290-R338 IonicContact OE2-NH2 3.42Å
291	G	89.8	Confident	83.8	Confident	8 Å²	8	66.2 Å²	66.2	8%	0.082	37%	0.372	C	S	.	.	S	Bend	trans	99.3	17.1	-176.6	0	0	0	0	0	112.9	D288 R338 N339 H380	D288-G291 PolarHBondContact O-N 2.96Å; D288-G291 PolarHBondContact OD1-N 3.38Å; G291-R338 CarbonylContact O-C 3.54Å; G291-R338 WeakPolarHBondContact O-CA 3.4Å; G291-R338 VanDerWaalsContact O-CG 3.25Å; G291-R338 WeakPolarHBondContact O-CG 3.36Å; G291-N339 PolarHBondContact O-N 3.13Å; G291-H380 PolarHBondContact O-CE1 3.1Å; G291-H380 VanDerWaalsContact O-CE1 3.32Å
292	Y	92.7	Very high	85.8	Confident	10 Å²	10	64.5 Å²	64.5	4%	0.039	35%	0.35	C	S	.	.			trans	-80	138.5	168	-66.5	-87.6	0	0	0	110.5	D287 D288 E290 R294 H313 G314 V315 N318 R338	D287-Y292 CarbonylContact C-O 3.58Å; D287-Y292 VanDerWaalsContact CA-O 3.31Å; D287-Y292 WeakPolarHBondContact CA-O 3.39Å; D288-Y292 PolarHBondContact N-O 3.04Å; D288-Y292 PolarHBondContact OD1-N 3.46Å; D288-Y292 WeakPolarHBondContact OD2-CB 3.31Å; D288-Y292 WeakPolarHBondContact OD2-CD2 3.39Å; E290-Y292 HydrophobicContact CB-CD2 3.73Å; E290-Y292 HydrophobicContact CB-CE2 3.87Å; Y292-R294 PolarHBondContact O-N 2.91Å; Y292-H313 AromaticContact CE1-CE1 3.88Å; Y292-H313 AromaticContact CZ-CE1 3.88Å; Y292-G314 VanDerWaalsContact CE1-O 3.23Å; Y292-G314 WeakPolarHBondContact CE1-O 3.47Å; Y292-G314 PolarHBondContact OH-O 3.35Å; Y292-V315 WeakPolarHBondContact OH-CA 3.5Å; Y292-V315 PolarHBondContact OH-O 3.35Å; Y292-V315 VanDerWaalsContact OH-O 3.07Å; Y292-N318 WeakPolarHBondContact CD1-OD1 3.36Å; Y292-R338 HydrophobicContact CD1-CB 4.47Å
293	Y	93.5	Very high	87.6	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.016	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-65.1	126.9	171.4	-174	-115.1	0	0	0	110.7	W286 V295 E299 L301 I336 H377 K378 H380	W286-Y293 HydrophobicContact CB-CD2 4.25Å; W286-Y293 HydrophobicContact CB-CE2 4.01Å; W286-Y293 HydrophobicContact CE3-CE2 4.35Å; Y293-V295 VanDerWaalsContact C-N 3.34Å; Y293-V295 HydrophobicContact CD1-CB 4.43Å; Y293-V295 HydrophobicContact CD1-CG2 3.53Å; Y293-V295 HydrophobicContact CE1-CG2 4.03Å; Y293-V295 PolarHBondContact O-N 3.4Å; Y293-E299 PolarHBondContact OH-OE2 3.3Å; Y293-L301 HydrophobicContact CE1-CD2 3.96Å; Y293-I336 HydrophobicContact CD1-CD1 4.01Å; Y293-I336 HydrophobicContact CG-CG2 4.44Å; Y293-H377 AromaticContact CZ-CD2 3.7Å; Y293-H377 AromaticContact CZ-NE2 3.46Å; Y293-H377 PolarHBondContact OH-NE2 2.98Å; Y293-K378 HydrophobicContact CE2-CB 4.47Å; Y293-K378 HydrophobicContact CE2-CD 3.51Å; Y293-K378 PolarHBondContact OH-NZ 3.05Å; Y293-H380 AromaticContact CD2-CD2 3.84Å; Y293-H380 AromaticContact CD2-NE2 3.87Å; Y293-H380 PolarHBondContact N-CE1 3.09Å
294	R	91.4	Very high	89.7	Confident	131 Å²	131	69.4 Å²	69.4	49%	0.494	36%	0.358	S	S	.	.			trans	-79.8	81.2	175.8	-65.5	175.5	172.7	175.1	0.2	110.6	W286 D287 D288 Y292	W286-R294 WeakPolarHBondContact O-CB 3.2Å; W286-R294 VanDerWaalsContact O-CG 3.32Å; W286-R294 WeakPolarHBondContact O-CG 3.45Å; W286-R294 PolarHBondContact O-N 2.87Å; D287-R294 VanDerWaalsContact O-CZ 3.31Å; D287-R294 PolarHBondContact O-NE 3.42Å; D288-R294 HydrophobicContact CB-CG 4.43Å; Y292-R294 PolarHBondContact O-N 2.91Å
295	V	91.8	Very high	91.4	Very high	13 Å²	13	62.9 Å²	62.9	8%	0.079	32%	0.323	C	S	.	.			trans	-60.4	144.5	176.7	177	0	0	0	0	110.6	Y293 E299 V307 Y310 V320 I336	Y293-V295 VanDerWaalsContact C-N 3.34Å; Y293-V295 HydrophobicContact CD1-CB 4.43Å; Y293-V295 HydrophobicContact CD1-CG2 3.53Å; Y293-V295 HydrophobicContact CE1-CG2 4.03Å; Y293-V295 PolarHBondContact O-N 3.4Å; V295-E299 WeakPolarHBondContact CA-OE1 3.47Å; V295-E299 WeakPolarHBondContact CG1-OE1 3.41Å; V295-V307 HydrophobicContact CG1-CG1 3.73Å; V295-Y310 HydrophobicContact CB-CE1 3.9Å; V295-Y310 HydrophobicContact CG1-CE1 4.03Å; V295-Y310 PolarHBondContact O-OH 3.45Å; V295-V320 HydrophobicContact CB-CG1 4.24Å; V295-V320 HydrophobicContact CG1-CG1 3.82Å; V295-V320 HydrophobicContact CG2-CG1 3.81Å; V295-I336 HydrophobicContact CG2-CD1 3.63Å
296	R	92.5	Very high	92.4	Very high	152 Å²	152	60.6 Å²	60.6	57%	0.574	32%	0.316	S	S	*	.			trans	-122.4	129.1	170.3	-63.4	-178	-177	-178.6	0.7	110.4	G298 E299	R296-G298 PolarHBondContact O-N 2.88Å; R296-E299 HydrophobicContact CB-CB 4.35Å; R296-E299 PolarHBondContact N-OE1 3.43Å; R296-E299 WeakPolarHBondContact O-CB 3.26Å; R296-E299 VanDerWaalsContact O-CG 3.24Å; R296-E299 WeakPolarHBondContact O-CG 3.47Å; R296-E299 PolarHBondContact O-N 3.3Å
297	I	94.3	Very high	93.1	Very high	72 Å²	72	57 Å²	57	37%	0.369	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	130.2	172.9	-57.9	-51.4	0	0	0	109.1	V307 Y310	I297-V307 HydrophobicContact CD1-CG1 4.02Å; I297-Y310 HydrophobicContact CD1-CD2 3.83Å; I297-Y310 HydrophobicContact CD1-CE2 3.52Å; I297-Y310 HydrophobicContact CG1-CD2 4.35Å; I297-Y310 HydrophobicContact CG1-CE2 3.76Å
298	G	93.1	Very high	93.6	Very high	53 Å²	53	59.1 Å²	59.1	55%	0.546	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-9.3	-174	0	0	0	0	0	114.5	R296 V307	R296-G298 PolarHBondContact O-N 2.88Å; G298-V307 PolarHBondContact N-O 3.41Å
299	E	94.6	Very high	93.9	Very high	31 Å²	31	57.2 Å²	57.2	15%	0.145	30%	0.303	C	S	.	.			trans	-71.5	157.3	172.9	88.1	-175.3	134.1	0	0	111.6	Y293 V295 R296 L301 V307	Y293-E299 PolarHBondContact OH-OE2 3.3Å; V295-E299 WeakPolarHBondContact CA-OE1 3.47Å; V295-E299 WeakPolarHBondContact CG1-OE1 3.41Å; R296-E299 HydrophobicContact CB-CB 4.35Å; R296-E299 PolarHBondContact N-OE1 3.43Å; R296-E299 WeakPolarHBondContact O-CB 3.26Å; R296-E299 VanDerWaalsContact O-CG 3.24Å; R296-E299 WeakPolarHBondContact O-CG 3.47Å; R296-E299 PolarHBondContact O-N 3.3Å; E299-L301 HydrophobicContact CG-CD2 3.93Å; E299-L301 HydrophobicContact CG-CG 4.43Å; E299-V307 HydrophobicContact CG-CB 4.38Å; E299-V307 HydrophobicContact CG-CG2 4.1Å; E299-V307 PolarHBondContact O-N 3.13Å
300	V	95.7	Very high	94.2	Very high	77 Å²	77	57.6 Å²	57.6	47%	0.467	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.1	176.2	-176.5	0	0	0	0	109.5	R304 Y305 A306	V300-R304 VanDerWaalsContact CG1-N 3.34Å; V300-Y305 CarbonylContact C-O 3.54Å; V300-Y305 VanDerWaalsContact CA-O 3.3Å; V300-Y305 WeakPolarHBondContact CA-O 3.37Å; V300-A306 HydrophobicContact CG2-CB 4.4Å
301	L	95.5	Very high	94.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	142.1	175	-51.5	177.1	0	0	0	110	Y293 E299 K303 R304 Y305 V307 I334 I336 F375 H377	Y293-L301 HydrophobicContact CE1-CD2 3.96Å; E299-L301 HydrophobicContact CG-CD2 3.93Å; E299-L301 HydrophobicContact CG-CG 4.43Å; L301-K303 PolarHBondContact O-N 3.38Å; L301-R304 PolarHBondContact O-N 3.26Å; L301-Y305 PolarHBondContact N-O 3.47Å; L301-Y305 PolarHBondContact O-N 3.08Å; L301-V307 HydrophobicContact CD1-CG2 3.73Å; L301-V307 HydrophobicContact CG-CG2 3.78Å; L301-I334 HydrophobicContact CD1-CD1 4.3Å; L301-I336 HydrophobicContact CD1-CD1 4.07Å; L301-F375 HydrophobicContact CB-CE2 4.16Å; L301-F375 HydrophobicContact CB-CZ 4.02Å; L301-H377 WeakPolarHBondContact CD2-NE2 3.44Å
302	D	95.4	Very high	93.8	Very high	60 Å²	60	56.3 Å²	56.3	32%	0.321	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	29.3	178.3	-166.5	39	0	0	0	113.6	R304 Y305 R373 F375	D302-R304 WeakPolarHBondContact O-CB 3.34Å; D302-R304 PolarHBondContact O-N 3.02Å; D302-Y305 HydrophobicContact CB-CD2 4.17Å; D302-Y305 HydrophobicContact CB-CE2 4.41Å; D302-R373 IonicContact OD2-CZ 2.62Å; D302-R373 IonicContact OD2-NH1 3.31Å; D302-R373 PolarHBondContact OD2-NH1 2.89Å; D302-R373 IonicContact OD2-NH2 2.72Å; D302-R373 PolarHBondContact OD2-NH2 3.46Å; D302-F375 HydrophobicContact CB-CD1 4.28Å; D302-F375 HydrophobicContact CB-CD2 3.67Å; D302-F375 HydrophobicContact CB-CE1 4.31Å; D302-F375 HydrophobicContact CB-CE2 3.71Å; D302-F375 HydrophobicContact CB-CG 3.97Å; D302-F375 HydrophobicContact CB-CZ 4.04Å
303	K	95	Very high	93.4	Very high	192 Å²	192	62.5 Å²	62.5	84%	0.835	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	21.1	-175.1	-57	177.1	-177.5	176.8	0	114	L301	L301-K303 PolarHBondContact O-N 3.38Å
304	R	96.8	Very high	92.9	Very high	49 Å²	49	63.8 Å²	63.8	19%	0.185	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140	-37.9	-168.8	178.1	176.4	169	174.1	1.5	114	V300 L301 D302 D324 S325 A326	V300-R304 VanDerWaalsContact CG1-N 3.34Å; L301-R304 PolarHBondContact O-N 3.26Å; D302-R304 WeakPolarHBondContact O-CB 3.34Å; D302-R304 PolarHBondContact O-N 3.02Å; R304-D324 IonicContact CZ-OD1 3.14Å; R304-D324 IonicContact CZ-OD2 3.08Å; R304-D324 IonicContact NE-OD1 2.68Å; R304-D324 PolarHBondContact NE-OD1 3.43Å; R304-D324 IonicContact NE-OD2 2.94Å; R304-D324 PolarHBondContact NE-OD2 2.78Å; R304-D324 IonicContact NH2-OD1 3.76Å; R304-D324 PolarHBondContact NH2-OD1 3.17Å; R304-D324 IonicContact NH2-OD2 2.7Å; R304-D324 PolarHBondContact NH2-OD2 2.87Å; R304-S325 WeakPolarHBondContact O-CB 3.25Å; R304-S325 PolarHBondContact O-N 2.89Å; R304-S325 PolarHBondContact O-OG 2.91Å; R304-A326 HydrophobicContact CG-CB 4.22Å
305	Y	98	Very high	92.7	Very high	1 Å²	1	62.5 Å²	62.5	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	103.6	-172.5	-61.6	-72.3	0	0	0	111	V300 L301 D302 V307 R323 D324 V332 I334 R373 F375 V384	V300-Y305 CarbonylContact C-O 3.54Å; V300-Y305 VanDerWaalsContact CA-O 3.3Å; V300-Y305 WeakPolarHBondContact CA-O 3.37Å; L301-Y305 PolarHBondContact N-O 3.47Å; L301-Y305 PolarHBondContact O-N 3.08Å; D302-Y305 HydrophobicContact CB-CD2 4.17Å; D302-Y305 HydrophobicContact CB-CE2 4.41Å; Y305-V307 PolarHBondContact O-N 3.39Å; Y305-R323 WeakPolarHBondContact CA-O 3.45Å; Y305-D324 HydrophobicContact CD1-CB 4.04Å; Y305-D324 HydrophobicContact CE1-CB 3.76Å; Y305-V332 HydrophobicContact CD1-CG2 3.9Å; Y305-V332 HydrophobicContact CE1-CG2 4.13Å; Y305-I334 HydrophobicContact CD1-CD1 3.93Å; Y305-I334 HydrophobicContact CD2-CD1 4.06Å; Y305-I334 HydrophobicContact CG-CD1 3.57Å; Y305-R373 WeakPolarHBondContact OH-CD 3.41Å; Y305-R373 WeakPolarHBondContact OH-CG 3.4Å; Y305-R373 PolarHBondContact OH-NH1 2.79Å; Y305-R373 VanDerWaalsContact OH-NH1 3.08Å; Y305-F375 HydrophobicContact CD2-CD1 4.42Å; Y305-F375 AromaticContact CD2-CE1 3.57Å; Y305-F375 HydrophobicContact CD2-CE1 3.57Å; Y305-F375 AromaticContact CD2-CZ 3.85Å; Y305-F375 HydrophobicContact CD2-CZ 3.85Å; Y305-F375 AromaticContact CE2-CD1 3.91Å; Y305-F375 HydrophobicContact CE2-CD1 3.91Å; Y305-F375 AromaticContact CE2-CE1 3.41Å; Y305-F375 HydrophobicContact CE2-CE1 3.41Å; Y305-F375 VanDerWaalsContact CE2-CE1 3.41Å; Y305-F375 HydrophobicContact CE2-CZ 4.16Å; Y305-V384 HydrophobicContact CE1-CG1 3.89Å; Y305-V384 HydrophobicContact CE1-CG2 4.23Å; Y305-V384 HydrophobicContact CE2-CG2 3.92Å
306	A	97.6	Very high	92.4	Very high	39 Å²	39	66.7 Å²	66.7	32%	0.322	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	110.4	175.9	0	0	0	0	0	110	V300 A322 R323	V300-A306 HydrophobicContact CG2-CB 4.4Å; A306-A322 CarbonylContact O-C 3.38Å; A306-A322 WeakPolarHBondContact O-CA 3.38Å; A306-A322 WeakPolarHBondContact O-CB 3.46Å; A306-R323 PolarHBondContact N-O 2.96Å; A306-R323 PolarHBondContact O-N 3.18Å
307	V	97.8	Very high	92.4	Very high	3 Å²	3	60 Å²	60	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128	-177.9	-178.6	0	0	0	0	110.1	V295 I297 G298 E299 L301 Y305 V320 A322	V295-V307 HydrophobicContact CG1-CG1 3.73Å; I297-V307 HydrophobicContact CD1-CG1 4.02Å; G298-V307 PolarHBondContact N-O 3.41Å; E299-V307 HydrophobicContact CG-CB 4.38Å; E299-V307 HydrophobicContact CG-CG2 4.1Å; E299-V307 PolarHBondContact O-N 3.13Å; L301-V307 HydrophobicContact CD1-CG2 3.73Å; L301-V307 HydrophobicContact CG-CG2 3.78Å; Y305-V307 PolarHBondContact O-N 3.39Å; V307-V320 HydrophobicContact CG1-CB 4.1Å; V307-V320 HydrophobicContact CG1-CG2 4.31Å; V307-V320 HydrophobicContact CG2-CG2 4.37Å; V307-A322 HydrophobicContact CG2-CB 4.39Å
308	Y	96.7	Very high	92.4	Very high	68 Å²	68	57.4 Å²	57.4	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	-12.6	-178.3	71.6	-93.5	0	0	0	114.6	R321 R323 E331	Y308-R321 HydrophobicContact CD1-CB 4.27Å; Y308-R321 HydrophobicContact CD2-CB 4.4Å; Y308-R321 HydrophobicContact CE1-CB 3.68Å; Y308-R321 HydrophobicContact CE2-CB 3.84Å; Y308-R321 VanDerWaalsContact CZ-CB 3.46Å; Y308-R321 PolarHBondContact N-O 3.05Å; Y308-R323 HydrophobicContact CD1-CG 3.92Å; Y308-R323 HydrophobicContact CE1-CG 3.91Å; Y308-E331 PolarHBondContact OH-OE2 2.95Å
309	G	94.8	Very high	92.5	Very high	13 Å²	13	56.6 Å²	56.6	13%	0.134	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	166.9	178.6	0	0	0	0	0	114.1	V320 R321	G309-V320 CarbonylContact O-C 3.6Å; G309-V320 WeakPolarHBondContact O-CA 3.48Å; G309-R321 PolarHBondContact N-O 3.27Å; G309-R321 PolarHBondContact O-N 3.11Å
310	Y	92.6	Very high	92.6	Very high	120 Å²	120	55.1 Å²	55.1	47%	0.471	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.1	170.8	-65.3	-83.5	0	0	0	110.3	V295 I297 V320 R321	V295-Y310 HydrophobicContact CB-CE1 3.9Å; V295-Y310 HydrophobicContact CG1-CE1 4.03Å; V295-Y310 PolarHBondContact O-OH 3.45Å; I297-Y310 HydrophobicContact CD1-CD2 3.83Å; I297-Y310 HydrophobicContact CD1-CE2 3.52Å; I297-Y310 HydrophobicContact CG1-CD2 4.35Å; I297-Y310 HydrophobicContact CG1-CE2 3.76Å; Y310-V320 HydrophobicContact CD1-CG1 4.06Å; Y310-V320 HydrophobicContact CE1-CG1 4.26Å; Y310-R321 PolarHBondContact O-NE 2.96Å; Y310-R321 PolarHBondContact O-NH2 2.67Å
311	T	87	Confident	92.7	Very high	61 Å²	61	56.3 Å²	56.3	37%	0.374	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-43.6	174.7	-57.1	0	0	0	0	111.6	V319 R321	T311-V319 HydrophobicContact CG2-CG1 4.46Å; T311-V319 PolarHBondContact N-O 3.3Å; T311-R321 WeakPolarHBondContact OG1-CG 3.46Å; T311-R321 PolarHBondContact OG1-NE 3.07Å; T311-R321 VanDerWaalsContact OG1-NE 3.15Å
312	G	82.3	Confident	92.9	Very high	33 Å²	33	56.3 Å²	56.3	34%	0.34	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	150.5	-174.5	0	0	0	0	0	113.5	V319	G312-V319 PolarHBondContact N-O 2.66Å; G312-V319 VanDerWaalsContact N-O 3.07Å; G312-V319 PolarHBondContact O-N 3.32Å
313	H	85.6	Confident	93	Very high	140 Å²	140	58.6 Å²	58.6	65%	0.648	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.7	172.3	-176.4	68.1	0	0	0	107.2	Y292 N318	Y292-H313 AromaticContact CE1-CE1 3.88Å; Y292-H313 AromaticContact CZ-CE1 3.88Å; H313-N318 PolarHBondContact CE1-OD1 2.95Å; H313-N318 PolarHBondContact ND1-OD1 3.24Å
314	G	83.1	Confident	93.1	Very high	32 Å²	32	49.5 Å²	49.5	33%	0.33	26%	0.255	S	S	.	.			trans	-131.7	166.8	-178	0	0	0	0	0	111.6	Y292 F316 S317	Y292-G314 VanDerWaalsContact CE1-O 3.23Å; Y292-G314 WeakPolarHBondContact CE1-O 3.47Å; Y292-G314 PolarHBondContact OH-O 3.35Å; G314-F316 PolarHBondContact O-N 3.39Å; G314-F316 VanDerWaalsContact O-N 3.17Å; G314-S317 PolarHBondContact N-O 2.79Å; G314-S317 PolarHBondContact O-N 2.86Å
315	V	85.8	Confident	93.1	Very high	104 Å²	104	50.5 Å²	50.5	63%	0.63	27%	0.269	S	S	*	.	S	Bend	trans	-59.5	-29.9	-179.4	-177.8	0	0	0	0	112.2	Y292	Y292-V315 WeakPolarHBondContact OH-CA 3.5Å; Y292-V315 PolarHBondContact OH-O 3.35Å; Y292-V315 VanDerWaalsContact OH-O 3.07Å
316	F	86.5	Confident	93	Very high	101 Å²	101	53.8 Å²	53.8	44%	0.443	30%	0.297	S	S	.	.	S	Bend	trans	-98.2	-27.3	-175	-56	-83.9	0	0	0	113.8	G314 R338 M343	G314-F316 PolarHBondContact O-N 3.39Å; G314-F316 VanDerWaalsContact O-N 3.17Å; F316-R338 WeakPolarHBondContact O-CB 3.3Å; F316-R338 PolarHBondContact O-N 3.39Å; F316-M343 HydrophobicContact CB-SD 4.14Å; F316-M343 HydrophobicContact CD1-CE 3.88Å; F316-M343 HydrophobicContact CD1-SD 3.34Å; F316-M343 WeakPolarHBondContact CD1-SD 3.42Å; F316-M343 HydrophobicContact CE1-CE 4.05Å; F316-M343 HydrophobicContact CE1-SD 4.09Å; F316-M343 HydrophobicContact CG-SD 4.15Å
317	S	92.8	Very high	92.8	Very high	10 Å²	10	57.8 Å²	57.8	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	160.9	-167.3	61.7	0	0	0	0	113.1	G314 K335 I336	G314-S317 PolarHBondContact N-O 2.79Å; G314-S317 PolarHBondContact O-N 2.86Å; S317-K335 WeakPolarHBondContact OG-CE 3.32Å; S317-K335 WeakPolarHBondContact OG-CG 3.39Å; S317-I336 VanDerWaalsContact CA-O 3.3Å; S317-I336 WeakPolarHBondContact CA-O 3.38Å; S317-I336 VanDerWaalsContact CB-O 3.25Å; S317-I336 WeakPolarHBondContact CB-O 3.23Å
318	N	94.1	Very high	92.6	Very high	19 Å²	19	60.9 Å²	60.9	10%	0.102	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.6	166.8	-69.6	-17.4	0	0	0	110.6	Y292 H313 K335 I336	Y292-N318 WeakPolarHBondContact CD1-OD1 3.36Å; H313-N318 PolarHBondContact CE1-OD1 2.95Å; H313-N318 PolarHBondContact ND1-OD1 3.24Å; N318-K335 CarbonylContact O-C 3.54Å; N318-K335 WeakPolarHBondContact O-CA 3.23Å; N318-I336 PolarHBondContact N-O 3.11Å; N318-I336 PolarHBondContact O-N 3.21Å
319	V	95.7	Very high	92.5	Very high	35 Å²	35	62.3 Å²	62.3	21%	0.212	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124	174.7	-172.4	0	0	0	0	109.6	T311 G312 A333 I334 K335	T311-V319 HydrophobicContact CG2-CG1 4.46Å; T311-V319 PolarHBondContact N-O 3.3Å; G312-V319 PolarHBondContact N-O 2.66Å; G312-V319 VanDerWaalsContact N-O 3.07Å; G312-V319 PolarHBondContact O-N 3.32Å; V319-A333 HydrophobicContact CG1-CB 4.15Å; V319-I334 WeakPolarHBondContact CA-O 3.27Å; V319-K335 HydrophobicContact CG2-CB 4.36Å; V319-K335 HydrophobicContact CG2-CG 4.16Å
320	V	97	Very high	92.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	157	-179.7	-56.9	0	0	0	0	110.7	V295 V307 G309 Y310 A333 I334 I336	V295-V320 HydrophobicContact CB-CG1 4.24Å; V295-V320 HydrophobicContact CG1-CG1 3.82Å; V295-V320 HydrophobicContact CG2-CG1 3.81Å; V307-V320 HydrophobicContact CG1-CB 4.1Å; V307-V320 HydrophobicContact CG1-CG2 4.31Å; V307-V320 HydrophobicContact CG2-CG2 4.37Å; G309-V320 CarbonylContact O-C 3.6Å; G309-V320 WeakPolarHBondContact O-CA 3.48Å; Y310-V320 HydrophobicContact CD1-CG1 4.06Å; Y310-V320 HydrophobicContact CE1-CG1 4.26Å; V320-A333 CarbonylContact O-C 3.57Å; V320-A333 WeakPolarHBondContact O-CA 3.4Å; V320-I334 HydrophobicContact CG2-CB 3.82Å; V320-I334 PolarHBondContact N-O 2.99Å; V320-I334 PolarHBondContact O-N 2.85Å; V320-I336 HydrophobicContact CG1-CD1 4.46Å; V320-I336 HydrophobicContact CG2-CD1 4.17Å
321	R	97.7	Very high	92.9	Very high	102 Å²	102	62.8 Å²	62.8	39%	0.385	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.3	171.2	-50.9	-177.8	-138	178.6	8.2	109.4	Y308 G309 Y310 T311 V332 L387	Y308-R321 HydrophobicContact CD1-CB 4.27Å; Y308-R321 HydrophobicContact CD2-CB 4.4Å; Y308-R321 HydrophobicContact CE1-CB 3.68Å; Y308-R321 HydrophobicContact CE2-CB 3.84Å; Y308-R321 VanDerWaalsContact CZ-CB 3.46Å; Y308-R321 PolarHBondContact N-O 3.05Å; G309-R321 PolarHBondContact N-O 3.27Å; G309-R321 PolarHBondContact O-N 3.11Å; Y310-R321 PolarHBondContact O-NE 2.96Å; Y310-R321 PolarHBondContact O-NH2 2.67Å; T311-R321 WeakPolarHBondContact OG1-CG 3.46Å; T311-R321 PolarHBondContact OG1-NE 3.07Å; T311-R321 VanDerWaalsContact OG1-NE 3.15Å; R321-V332 WeakPolarHBondContact CA-O 3.27Å; R321-L387 HydrophobicContact CG-CD1 4.06Å
322	A	98.1	Very high	93.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	162.1	178.7	0	0	0	0	0	111.4	A306 V307 V332 I334	A306-A322 CarbonylContact O-C 3.38Å; A306-A322 WeakPolarHBondContact O-CA 3.38Å; A306-A322 WeakPolarHBondContact O-CB 3.46Å; V307-A322 HydrophobicContact CG2-CB 4.39Å; A322-V332 HydrophobicContact CB-CG2 4.16Å; A322-V332 PolarHBondContact N-O 2.72Å; A322-V332 WeakPolarHBondContact O-CG2 3.46Å; A322-V332 PolarHBondContact O-N 2.76Å; A322-I334 HydrophobicContact CB-CD1 3.68Å; A322-I334 HydrophobicContact CB-CG1 4.27Å
323	R	98.2	Very high	94.2	Very high	109 Å²	109	58.8 Å²	58.8	41%	0.411	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.7	170.6	-70.8	176.6	-179.9	156.8	0.4	109.7	Y305 A306 Y308 S325 N329 L330 E331	Y305-R323 WeakPolarHBondContact CA-O 3.45Å; A306-R323 PolarHBondContact N-O 2.96Å; A306-R323 PolarHBondContact O-N 3.18Å; Y308-R323 HydrophobicContact CD1-CG 3.92Å; Y308-R323 HydrophobicContact CE1-CG 3.91Å; R323-S325 PolarHBondContact O-N 3.48Å; R323-N329 HydrophobicContact CB-CB 4.28Å; R323-L330 WeakPolarHBondContact CA-O 3.4Å; R323-E331 HydrophobicContact CG-CG 4.37Å; R323-E331 IonicContact CZ-OE1 3.95Å; R323-E331 IonicContact NE-OE1 3.99Å; R323-E331 PolarHBondContact NE-OE1 3.05Å; R323-E331 IonicContact NH2-OE1 3.21Å; R323-E331 PolarHBondContact NH2-OE1 3.18Å
324	D	98	Very high	94.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	102.7	178.5	-175.3	-16.1	0	0	0	110.8	R304 Y305 A326 R327 N329 L330 V332	R304-D324 IonicContact CZ-OD1 3.14Å; R304-D324 IonicContact CZ-OD2 3.08Å; R304-D324 IonicContact NE-OD1 2.68Å; R304-D324 PolarHBondContact NE-OD1 3.43Å; R304-D324 IonicContact NE-OD2 2.94Å; R304-D324 PolarHBondContact NE-OD2 2.78Å; R304-D324 IonicContact NH2-OD1 3.76Å; R304-D324 PolarHBondContact NH2-OD1 3.17Å; R304-D324 IonicContact NH2-OD2 2.7Å; R304-D324 PolarHBondContact NH2-OD2 2.87Å; Y305-D324 HydrophobicContact CD1-CB 4.04Å; Y305-D324 HydrophobicContact CE1-CB 3.76Å; D324-A326 PolarHBondContact O-N 3.33Å; D324-A326 WeakPolarHBondContact OD1-CB 3.49Å; D324-A326 PolarHBondContact OD1-N 2.85Å; D324-R327 HydrophobicContact CB-CB 4.25Å; D324-R327 CarbonylContact O-C 3.49Å; D324-R327 PolarHBondContact O-N 2.98Å; D324-R327 VanDerWaalsContact O-N 3.15Å; D324-R327 PolarHBondContact OD1-N 3.01Å; D324-R327 WeakPolarHBondContact OD2-CD 3.44Å; D324-N329 WeakPolarHBondContact O-CA 3.45Å; D324-N329 PolarHBondContact O-N 2.77Å; D324-L330 HydrophobicContact CB-CB 4.49Å; D324-L330 PolarHBondContact N-O 2.84Å; D324-V332 HydrophobicContact CB-CG1 4.34Å
325	S	96.4	Very high	95.4	Very high	70 Å²	70	51.5 Å²	51.5	49%	0.49	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-63.2	-26.7	-179	67.2	0	0	0	0	113.7	R304 R323 R327	R304-S325 WeakPolarHBondContact O-CB 3.25Å; R304-S325 PolarHBondContact O-N 2.89Å; R304-S325 PolarHBondContact O-OG 2.91Å; R323-S325 PolarHBondContact O-N 3.48Å; S325-R327 VanDerWaalsContact C-N 3.34Å
326	A	95.2	Very high	95.9	Very high	71 Å²	71	46.7 Å²	46.7	59%	0.587	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-81	-15.7	179.6	0	0	0	0	0	113	R304 D324	R304-A326 HydrophobicContact CG-CB 4.22Å; D324-A326 PolarHBondContact O-N 3.33Å; D324-A326 WeakPolarHBondContact OD1-CB 3.49Å; D324-A326 PolarHBondContact OD1-N 2.85Å
327	R	94.2	Very high	96.4	Very high	122 Å²	122	42.2 Å²	42.2	46%	0.46	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-114.4	37.5	177.4	-67.2	-173.9	171.8	-166.4	0.9	111.8	D324 S325 N329 L330	D324-R327 HydrophobicContact CB-CB 4.25Å; D324-R327 CarbonylContact O-C 3.49Å; D324-R327 PolarHBondContact O-N 2.98Å; D324-R327 VanDerWaalsContact O-N 3.15Å; D324-R327 PolarHBondContact OD1-N 3.01Å; D324-R327 WeakPolarHBondContact OD2-CD 3.44Å; S325-R327 VanDerWaalsContact C-N 3.34Å; R327-N329 PolarHBondContact O-N 2.74Å; R327-L330 HydrophobicContact CB-CB 4.01Å; R327-L330 HydrophobicContact CB-CD2 4.43Å; R327-L330 WeakPolarHBondContact O-CB 3.27Å; R327-L330 PolarHBondContact O-N 3.44Å
328	G	93.7	Very high	96.5	Very high	69 Å²	69	43.9 Å²	43.9	71%	0.711	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	36.2	175.6	0	0	0	0	0	114	L330	G328-L330 VanDerWaalsContact C-N 3.29Å; G328-L330 PolarHBondContact O-N 2.8Å
329	N	94.7	Very high	96.4	Very high	98 Å²	98	46 Å²	46	52%	0.524	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	29.1	-175.5	-61.1	-43.5	0	0	0	114.7	R323 D324 R327 E331	R323-N329 HydrophobicContact CB-CB 4.28Å; D324-N329 WeakPolarHBondContact O-CA 3.45Å; D324-N329 PolarHBondContact O-N 2.77Å; R327-N329 PolarHBondContact O-N 2.74Å; N329-E331 PolarHBondContact O-N 3.39Å
330	L	97.2	Very high	96.2	Very high	72 Å²	72	47.2 Å²	47.2	38%	0.377	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	130.9	170.4	-180	65.8	0	0	0	110.4	R323 D324 R327 G328 V332 Y372	R323-L330 WeakPolarHBondContact CA-O 3.4Å; D324-L330 HydrophobicContact CB-CB 4.49Å; D324-L330 PolarHBondContact N-O 2.84Å; R327-L330 HydrophobicContact CB-CB 4.01Å; R327-L330 HydrophobicContact CB-CD2 4.43Å; R327-L330 WeakPolarHBondContact O-CB 3.27Å; R327-L330 PolarHBondContact O-N 3.44Å; G328-L330 VanDerWaalsContact C-N 3.29Å; G328-L330 PolarHBondContact O-N 2.8Å; L330-V332 HydrophobicContact CG-CG1 4.4Å; L330-Y372 HydrophobicContact CD2-CE2 4.09Å
331	E	97.7	Very high	96	Very high	70 Å²	70	54 Å²	54	33%	0.327	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.8	177.1	-53.3	-151.7	149	0	0	110.6	Y308 R323 N329 L387	Y308-E331 PolarHBondContact OH-OE2 2.95Å; R323-E331 HydrophobicContact CG-CG 4.37Å; R323-E331 IonicContact CZ-OE1 3.95Å; R323-E331 IonicContact NE-OE1 3.99Å; R323-E331 PolarHBondContact NE-OE1 3.05Å; R323-E331 IonicContact NH2-OE1 3.21Å; R323-E331 PolarHBondContact NH2-OE1 3.18Å; N329-E331 PolarHBondContact O-N 3.39Å; E331-L387 HydrophobicContact CB-CD2 3.66Å
332	V	98	Very high	95.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.9	-174.8	-62.8	0	0	0	0	110.8	Y305 R321 A322 D324 L330 I334 Y372 V384 F385	Y305-V332 HydrophobicContact CD1-CG2 3.9Å; Y305-V332 HydrophobicContact CE1-CG2 4.13Å; R321-V332 WeakPolarHBondContact CA-O 3.27Å; A322-V332 HydrophobicContact CB-CG2 4.16Å; A322-V332 PolarHBondContact N-O 2.72Å; A322-V332 WeakPolarHBondContact O-CG2 3.46Å; A322-V332 PolarHBondContact O-N 2.76Å; D324-V332 HydrophobicContact CB-CG1 4.34Å; L330-V332 HydrophobicContact CG-CG1 4.4Å; V332-I334 HydrophobicContact CG2-CD1 4.49Å; V332-I334 HydrophobicContact CG2-CG1 4.24Å; V332-Y372 HydrophobicContact CG1-CD2 3.97Å; V332-Y372 HydrophobicContact CG1-CE2 3.98Å; V332-V384 HydrophobicContact CB-CG1 3.84Å; V332-V384 HydrophobicContact CG1-CG1 4.09Å; V332-V384 HydrophobicContact CG2-CG1 3.9Å; V332-F385 WeakPolarHBondContact CB-O 3.48Å
333	A	97.8	Very high	95.5	Very high	11 Å²	11	55.3 Å²	55.3	9%	0.091	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.4	167.7	0	0	0	0	0	109.7	V319 V320 F385 L387	V319-A333 HydrophobicContact CG1-CB 4.15Å; V320-A333 CarbonylContact O-C 3.57Å; V320-A333 WeakPolarHBondContact O-CA 3.4Å; A333-F385 HydrophobicContact CB-CB 4.45Å; A333-F385 PolarHBondContact N-O 3.35Å; A333-F385 VanDerWaalsContact N-O 3.11Å; A333-F385 PolarHBondContact O-N 3.11Å; A333-L387 HydrophobicContact CB-CD1 4.02Å
334	I	98	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	114.1	177	-53.7	-178.6	0	0	0	108.8	L301 Y305 V319 V320 A322 V332 I336 F375 C382 M383 V384	L301-I334 HydrophobicContact CD1-CD1 4.3Å; Y305-I334 HydrophobicContact CD1-CD1 3.93Å; Y305-I334 HydrophobicContact CD2-CD1 4.06Å; Y305-I334 HydrophobicContact CG-CD1 3.57Å; V319-I334 WeakPolarHBondContact CA-O 3.27Å; V320-I334 HydrophobicContact CG2-CB 3.82Å; V320-I334 PolarHBondContact N-O 2.99Å; V320-I334 PolarHBondContact O-N 2.85Å; A322-I334 HydrophobicContact CB-CD1 3.68Å; A322-I334 HydrophobicContact CB-CG1 4.27Å; V332-I334 HydrophobicContact CG2-CD1 4.49Å; V332-I334 HydrophobicContact CG2-CG1 4.24Å; I334-I336 HydrophobicContact CG2-CG1 4.02Å; I334-F375 HydrophobicContact CD1-CZ 4.47Å; I334-F375 HydrophobicContact CG2-CZ 4.34Å; I334-C382 HydrophobicContact CG2-CB 4.06Å; I334-M383 CarbonylContact C-O 3.56Å; I334-M383 VanDerWaalsContact CA-O 3.31Å; I334-M383 WeakPolarHBondContact CA-O 3.25Å; I334-V384 HydrophobicContact CD1-CG2 4.48Å; I334-V384 HydrophobicContact CG1-CG1 4.47Å; I334-V384 HydrophobicContact CG1-CG2 4.26Å
335	K	97.1	Very high	95.1	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.078	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.2	170.7	-167	-179.4	-170.7	-175.3	0	108	S317 N318 V319 I337 E350 C382 M383 F385 D452	S317-K335 WeakPolarHBondContact OG-CE 3.32Å; S317-K335 WeakPolarHBondContact OG-CG 3.39Å; N318-K335 CarbonylContact O-C 3.54Å; N318-K335 WeakPolarHBondContact O-CA 3.23Å; V319-K335 HydrophobicContact CG2-CB 4.36Å; V319-K335 HydrophobicContact CG2-CG 4.16Å; K335-I337 HydrophobicContact CD-CD1 4.18Å; K335-I337 HydrophobicContact CG-CD1 4.17Å; K335-E350 IonicContact NZ-OE1 2.73Å; K335-E350 PolarHBondContact NZ-OE1 2.6Å; K335-E350 IonicContact NZ-OE2 3.57Å; K335-E350 PolarHBondContact NZ-OE2 2.69Å; K335-C382 CarbonylContact O-C 3.54Å; K335-C382 WeakPolarHBondContact O-CA 3.4Å; K335-M383 HydrophobicContact CB-CB 4.49Å; K335-M383 HydrophobicContact CB-CE 4.47Å; K335-M383 HydrophobicContact CD-CE 3.78Å; K335-M383 HydrophobicContact CG-CE 4.42Å; K335-M383 PolarHBondContact N-O 3.15Å; K335-M383 PolarHBondContact O-N 3.18Å; K335-F385 HydrophobicContact CB-CD2 4.23Å; K335-F385 HydrophobicContact CB-CE2 3.68Å; K335-F385 HydrophobicContact CD-CE2 4.33Å; K335-D452 IonicContact NZ-OD1 3.72Å; K335-D452 PolarHBondContact NZ-OD1 3.32Å
336	I	97	Very high	94.9	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109	178.9	-52.9	176.7	0	0	0	107.2	Y293 V295 L301 S317 N318 V320 I334 H380	Y293-I336 HydrophobicContact CD1-CD1 4.01Å; Y293-I336 HydrophobicContact CG-CG2 4.44Å; V295-I336 HydrophobicContact CG2-CD1 3.63Å; L301-I336 HydrophobicContact CD1-CD1 4.07Å; S317-I336 VanDerWaalsContact CA-O 3.3Å; S317-I336 WeakPolarHBondContact CA-O 3.38Å; S317-I336 VanDerWaalsContact CB-O 3.25Å; S317-I336 WeakPolarHBondContact CB-O 3.23Å; N318-I336 PolarHBondContact N-O 3.11Å; N318-I336 PolarHBondContact O-N 3.21Å; V320-I336 HydrophobicContact CG1-CD1 4.46Å; V320-I336 HydrophobicContact CG2-CD1 4.17Å; I334-I336 HydrophobicContact CG2-CG1 4.02Å; I336-H380 HydrophobicContact CG2-CB 3.68Å
337	I	96.4	Very high	94.9	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.5	-178.9	-57.8	-56.5	0	0	0	109.5	K335 M343 H380 L381 M383	K335-I337 HydrophobicContact CD-CD1 4.18Å; K335-I337 HydrophobicContact CG-CD1 4.17Å; I337-M343 HydrophobicContact CG2-CB 3.99Å; I337-M343 WeakPolarHBondContact CG2-O 3.43Å; I337-H380 PolarHBondContact O-ND1 3.44Å; I337-L381 HydrophobicContact CB-CB 4.12Å; I337-L381 WeakPolarHBondContact CB-O 3.35Å; I337-L381 HydrophobicContact CG1-CB 4.08Å; I337-L381 HydrophobicContact CG1-CD2 4.2Å; I337-L381 HydrophobicContact CG1-CG 4.18Å; I337-L381 WeakPolarHBondContact CG1-O 3.47Å; I337-L381 PolarHBondContact N-O 2.72Å; I337-M383 HydrophobicContact CD1-CE 3.93Å; I337-M383 HydrophobicContact CG1-CE 4.29Å
338	R	94.2	Very high	95	Very high	46 Å²	46	51.5 Å²	51.5	17%	0.174	28%	0.282	C	S	.	.			trans	-56.3	137.4	175.9	-174.8	178.6	168.5	158.3	-1.7	110.7	E290 G291 Y292 F316 N340 M343	E290-R338 VanDerWaalsContact C-NH2 3.34Å; E290-R338 VanDerWaalsContact CA-NH2 3.31Å; E290-R338 PolarHBondContact O-NE 2.95Å; E290-R338 PolarHBondContact O-NH2 3.19Å; E290-R338 IonicContact OE2-CZ 3.71Å; E290-R338 IonicContact OE2-NH1 2.81Å; E290-R338 PolarHBondContact OE2-NH1 3.36Å; E290-R338 IonicContact OE2-NH2 3.42Å; G291-R338 CarbonylContact O-C 3.54Å; G291-R338 WeakPolarHBondContact O-CA 3.4Å; G291-R338 VanDerWaalsContact O-CG 3.25Å; G291-R338 WeakPolarHBondContact O-CG 3.36Å; Y292-R338 HydrophobicContact CD1-CB 4.47Å; F316-R338 WeakPolarHBondContact O-CB 3.3Å; F316-R338 PolarHBondContact O-N 3.39Å; R338-N340 HydrophobicContact CG-CB 4.44Å; R338-N340 PolarHBondContact O-N 2.85Å; R338-M343 HydrophobicContact CB-CB 4.3Å; R338-M343 HydrophobicContact CB-CG 4.16Å
339	N	91.7	Very high	95	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	27%	0.27	S	S	.	.	S	Bend	trans	-74.9	77.9	178.6	-176.8	18.3	0	0	0	110	D287 G291 H380	D287-N339 WeakPolarHBondContact OD2-CB 3.45Å; D287-N339 PolarHBondContact OD2-ND2 3.26Å; G291-N339 PolarHBondContact O-N 3.13Å; N339-H380 WeakPolarHBondContact CB-CE1 3.33Å
340	N	92.1	Very high	95.1	Very high	61 Å²	61	49.8 Å²	49.8	33%	0.326	25%	0.247	S	C	.	.	S	Bend	trans	-147.8	133.9	179.2	172	-69.5	0	0	0	107.9	R338 V342 M343 H344	R338-N340 HydrophobicContact CG-CB 4.44Å; R338-N340 PolarHBondContact O-N 2.85Å; N340-V342 VanDerWaalsContact C-N 3.27Å; N340-V342 PolarHBondContact O-N 3.04Å; N340-V342 VanDerWaalsContact O-N 3.16Å; N340-V342 WeakPolarHBondContact OD1-CB 3.43Å; N340-V342 PolarHBondContact OD1-N 3.1Å; N340-M343 HydrophobicContact CB-CB 4.08Å; N340-M343 HydrophobicContact CB-CG 3.73Å; N340-M343 CarbonylContact O-C 3.48Å; N340-M343 WeakPolarHBondContact O-CA 3.25Å; N340-M343 WeakPolarHBondContact O-CB 3.3Å; N340-M343 PolarHBondContact O-N 3.03Å; N340-M343 PolarHBondContact OD1-N 3.08Å; N340-H344 WeakPolarHBondContact O-CB 3.43Å; N340-H344 PolarHBondContact O-N 2.76Å
341	D	91.9	Very high	95.1	Very high	142 Å²	142	46.8 Å²	46.8	76%	0.759	23%	0.231	S	C	*	.	H	α-helix	trans	-55.1	-39.1	-173.2	-65	-35.4	0	0	0	113.9	K345	D341-K345 WeakPolarHBondContact O-CB 3.08Å; D341-K345 PolarHBondContact O-N 3.05Å
342	V	92.7	Very high	95.1	Very high	98 Å²	98	50.2 Å²	50.2	59%	0.594	25%	0.247	S	C	*	.	H	α-helix	trans	-67	-44.1	178.2	-176.1	0	0	0	0	110.2	N340 S346	N340-V342 VanDerWaalsContact C-N 3.27Å; N340-V342 PolarHBondContact O-N 3.04Å; N340-V342 VanDerWaalsContact O-N 3.16Å; N340-V342 WeakPolarHBondContact OD1-CB 3.43Å; N340-V342 PolarHBondContact OD1-N 3.1Å; V342-S346 WeakPolarHBondContact O-CB 3.38Å; V342-S346 PolarHBondContact O-N 3.1Å
343	M	92.4	Very high	95.1	Very high	32 Å²	32	51.2 Å²	51.2	16%	0.158	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-42.3	178.9	-56	-64.9	111	0	0	111	F316 I337 R338 N340 S346 G347	F316-M343 HydrophobicContact CB-SD 4.14Å; F316-M343 HydrophobicContact CD1-CE 3.88Å; F316-M343 HydrophobicContact CD1-SD 3.34Å; F316-M343 WeakPolarHBondContact CD1-SD 3.42Å; F316-M343 HydrophobicContact CE1-CE 4.05Å; F316-M343 HydrophobicContact CE1-SD 4.09Å; F316-M343 HydrophobicContact CG-SD 4.15Å; I337-M343 HydrophobicContact CG2-CB 3.99Å; I337-M343 WeakPolarHBondContact CG2-O 3.43Å; R338-M343 HydrophobicContact CB-CB 4.3Å; R338-M343 HydrophobicContact CB-CG 4.16Å; N340-M343 HydrophobicContact CB-CB 4.08Å; N340-M343 HydrophobicContact CB-CG 3.73Å; N340-M343 CarbonylContact O-C 3.48Å; N340-M343 WeakPolarHBondContact O-CA 3.25Å; N340-M343 WeakPolarHBondContact O-CB 3.3Å; N340-M343 PolarHBondContact O-N 3.03Å; N340-M343 PolarHBondContact OD1-N 3.08Å; M343-S346 PolarHBondContact O-N 3.01Å; M343-G347 PolarHBondContact O-N 2.93Å
344	H	93.6	Very high	95.1	Very high	59 Å²	59	50.8 Å²	50.8	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-62.1	-46.8	177.1	-174.5	-94.7	0	0	0	111.3	N340 S346 G347 L348 F376	N340-H344 WeakPolarHBondContact O-CB 3.43Å; N340-H344 PolarHBondContact O-N 2.76Å; H344-S346 VanDerWaalsContact C-N 3.35Å; H344-S346 PolarHBondContact O-N 3.03Å; H344-G347 PolarHBondContact O-N 2.9Å; H344-L348 WeakPolarHBondContact O-CG 3.12Å; H344-L348 PolarHBondContact O-N 3.48Å; H344-F376 AromaticContact NE2-CE1 3.53Å
345	K	94.2	Very high	95.1	Very high	142 Å²	142	55.1 Å²	55.1	62%	0.617	27%	0.268	S	S	*	.	H	α-helix	trans	-64.5	-36	175.5	-173.7	176.6	-179.6	179.1	0	112.8	D341 R349	D341-K345 WeakPolarHBondContact O-CB 3.08Å; D341-K345 PolarHBondContact O-N 3.05Å; K345-R349 PolarHBondContact O-N 3.4Å; K345-R349 PolarHBondContact O-NE 2.99Å
346	S	93.2	Very high	95.1	Very high	19 Å²	19	59.2 Å²	59.2	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-43.9	173.2	174.5	0	0	0	0	111.4	V342 M343 H344 L348 R349 E350 G454	V342-S346 WeakPolarHBondContact O-CB 3.38Å; V342-S346 PolarHBondContact O-N 3.1Å; M343-S346 PolarHBondContact O-N 3.01Å; H344-S346 VanDerWaalsContact C-N 3.35Å; H344-S346 PolarHBondContact O-N 3.03Å; S346-L348 PolarHBondContact O-N 2.82Å; S346-R349 WeakPolarHBondContact O-CB 3.38Å; S346-R349 PolarHBondContact O-N 3.21Å; S346-E350 PolarHBondContact O-N 3.14Å; S346-G454 PolarHBondContact OG-O 3.16Å
347	G	95.4	Very high	95.1	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-36.3	177.8	0	0	0	0	0	113.6	M343 H344 E350 L351 L381	M343-G347 PolarHBondContact O-N 2.93Å; H344-G347 PolarHBondContact O-N 2.9Å; G347-E350 PolarHBondContact O-N 2.75Å; G347-L351 WeakPolarHBondContact O-CB 3.4Å; G347-L351 PolarHBondContact O-N 3.35Å; G347-L381 VanDerWaalsContact C-CD2 3.48Å
348	L	96.1	Very high	95.2	Very high	72 Å²	72	60.1 Å²	60.1	38%	0.377	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-38.1	173	-73.6	177.9	0	0	0	112.5	H344 S346 L351 E352 F376 L381	H344-L348 WeakPolarHBondContact O-CG 3.12Å; H344-L348 PolarHBondContact O-N 3.48Å; S346-L348 PolarHBondContact O-N 2.82Å; L348-L351 HydrophobicContact CD2-CD2 4.46Å; L348-L351 WeakPolarHBondContact O-CB 3.36Å; L348-L351 PolarHBondContact O-N 3.47Å; L348-E352 PolarHBondContact O-N 3.24Å; L348-E352 VanDerWaalsContact O-N 3.14Å; L348-F376 HydrophobicContact CD2-CZ 4.36Å; L348-L381 HydrophobicContact CD2-CD2 4.12Å; L348-L381 HydrophobicContact CG-CD2 4.43Å
349	R	94.8	Very high	95.4	Very high	124 Å²	124	64.1 Å²	64.1	47%	0.468	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-45	173	-77.7	-176.7	-78.8	145.7	-7.5	111.4	K345 S346 L351 E352 V353	K345-R349 PolarHBondContact O-N 3.4Å; K345-R349 PolarHBondContact O-NE 2.99Å; S346-R349 WeakPolarHBondContact O-CB 3.38Å; S346-R349 PolarHBondContact O-N 3.21Å; R349-L351 VanDerWaalsContact C-N 3.3Å; R349-L351 PolarHBondContact O-N 2.7Å; R349-E352 PolarHBondContact O-N 3.35Å; R349-V353 WeakPolarHBondContact O-CG2 3.42Å; R349-V353 PolarHBondContact O-N 3.08Å
350	E	96.5	Very high	95.6	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.033	31%	0.313	C	S	.	.	H	α-helix	trans	-56.5	-45.1	174.6	-174.6	176.8	-173.5	0	0	111.4	K335 S346 G347 E352 V353 L354 M383 F453	K335-E350 IonicContact NZ-OE1 2.73Å; K335-E350 PolarHBondContact NZ-OE1 2.6Å; K335-E350 IonicContact NZ-OE2 3.57Å; K335-E350 PolarHBondContact NZ-OE2 2.69Å; S346-E350 PolarHBondContact O-N 3.14Å; G347-E350 PolarHBondContact O-N 2.75Å; E350-E352 VanDerWaalsContact C-N 3.33Å; E350-E352 PolarHBondContact O-N 3.03Å; E350-V353 PolarHBondContact O-N 2.83Å; E350-L354 HydrophobicContact CG-CD1 3.86Å; E350-L354 HydrophobicContact CG-CG 4.42Å; E350-L354 WeakPolarHBondContact O-CB 3.28Å; E350-L354 VanDerWaalsContact O-CG 3.31Å; E350-L354 WeakPolarHBondContact O-CG 3.24Å; E350-L354 PolarHBondContact O-N 3.48Å; E350-M383 HydrophobicContact CG-CE 4.38Å; E350-F453 HydrophobicContact CG-CB 3.97Å; E350-F453 PolarHBondContact OE1-N 2.84Å
351	L	97.4	Very high	95.9	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-42.5	177	175.2	62.4	0	0	0	112.6	G347 L348 R349 K355 L371 H374 L381 M383	G347-L351 WeakPolarHBondContact O-CB 3.4Å; G347-L351 PolarHBondContact O-N 3.35Å; L348-L351 HydrophobicContact CD2-CD2 4.46Å; L348-L351 WeakPolarHBondContact O-CB 3.36Å; L348-L351 PolarHBondContact O-N 3.47Å; R349-L351 VanDerWaalsContact C-N 3.3Å; R349-L351 PolarHBondContact O-N 2.7Å; L351-K355 HydrophobicContact CD1-CG 4.48Å; L351-K355 WeakPolarHBondContact O-CG 3.25Å; L351-K355 PolarHBondContact O-N 3.38Å; L351-L371 HydrophobicContact CD1-CD2 3.46Å; L351-L371 VanDerWaalsContact CD1-CD2 3.46Å; L351-H374 HydrophobicContact CD1-CB 3.89Å; L351-H374 HydrophobicContact CD2-CB 4.26Å; L351-L381 HydrophobicContact CD2-CD1 4.4Å; L351-M383 HydrophobicContact CB-SD 4.06Å; L351-M383 HydrophobicContact CD1-SD 4.33Å
352	E	96.9	Very high	96.1	Very high	142 Å²	142	58 Å²	58	66%	0.664	29%	0.293	S	S	*	.	H	α-helix	trans	-64.9	-46	177.6	-174.7	177.8	-176.5	0	0	111.7	L348 R349 E350 L354 K355 K356	L348-E352 PolarHBondContact O-N 3.24Å; L348-E352 VanDerWaalsContact O-N 3.14Å; R349-E352 PolarHBondContact O-N 3.35Å; E350-E352 VanDerWaalsContact C-N 3.33Å; E350-E352 PolarHBondContact O-N 3.03Å; E352-L354 PolarHBondContact O-N 3.46Å; E352-K355 PolarHBondContact O-N 3.29Å; E352-K356 PolarHBondContact O-N 3.38Å
353	V	97.2	Very high	96.2	Very high	22 Å²	22	59.8 Å²	59.8	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-47	176.3	174.9	0	0	0	0	110.9	R349 E350 K355 K356 L357 I429 F453 A456	R349-V353 WeakPolarHBondContact O-CG2 3.42Å; R349-V353 PolarHBondContact O-N 3.08Å; E350-V353 PolarHBondContact O-N 2.83Å; V353-K355 PolarHBondContact O-N 2.98Å; V353-K356 WeakPolarHBondContact O-CB 3.36Å; V353-K356 PolarHBondContact O-N 3.41Å; V353-L357 HydrophobicContact CG1-CD1 4.09Å; V353-L357 WeakPolarHBondContact O-CG 3.45Å; V353-L357 PolarHBondContact O-N 2.91Å; V353-I429 HydrophobicContact CG1-CD1 3.71Å; V353-I429 HydrophobicContact CG1-CG1 4.18Å; V353-I429 HydrophobicContact CG1-CG2 3.89Å; V353-F453 HydrophobicContact CG1-CB 4.18Å; V353-F453 HydrophobicContact CG1-CD1 4Å; V353-F453 HydrophobicContact CG1-CG 4.33Å; V353-A456 HydrophobicContact CG1-CB 4.01Å; V353-A456 HydrophobicContact CG2-CB 4.3Å
354	L	97.9	Very high	96.4	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-41.3	179.6	-75.4	166.1	0	0	0	112.8	E350 E352 L357 N358 L371 M383 F385 F453	E350-L354 HydrophobicContact CG-CD1 3.86Å; E350-L354 HydrophobicContact CG-CG 4.42Å; E350-L354 WeakPolarHBondContact O-CB 3.28Å; E350-L354 VanDerWaalsContact O-CG 3.31Å; E350-L354 WeakPolarHBondContact O-CG 3.24Å; E350-L354 PolarHBondContact O-N 3.48Å; E352-L354 PolarHBondContact O-N 3.46Å; L354-L357 PolarHBondContact O-N 3Å; L354-N358 WeakPolarHBondContact O-CB 3.42Å; L354-N358 PolarHBondContact O-N 3.16Å; L354-L371 HydrophobicContact CB-CB 4.18Å; L354-L371 HydrophobicContact CB-CD2 3.98Å; L354-M383 HydrophobicContact CD1-SD 4.24Å; L354-F385 HydrophobicContact CD1-CE1 3.51Å; L354-F385 HydrophobicContact CD1-CZ 3.61Å; L354-F385 HydrophobicContact CD2-CE1 4.15Å; L354-F385 HydrophobicContact CG-CE1 4.46Å; L354-F453 HydrophobicContact CD2-CD2 3.57Å; L354-F453 HydrophobicContact CD2-CE2 3.94Å; L354-F453 HydrophobicContact CD2-CG 4.35Å; L354-F453 HydrophobicContact CG-CD2 4.33Å
355	K	97.6	Very high	96.5	Very high	90 Å²	90	63.5 Å²	63.5	39%	0.391	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-47.5	173.8	-76.6	176.5	-179.7	174.5	0	110.9	L351 E352 V353 L357 N358 D359 L371 H374	L351-K355 HydrophobicContact CD1-CG 4.48Å; L351-K355 WeakPolarHBondContact O-CG 3.25Å; L351-K355 PolarHBondContact O-N 3.38Å; E352-K355 PolarHBondContact O-N 3.29Å; V353-K355 PolarHBondContact O-N 2.98Å; K355-L357 VanDerWaalsContact C-N 3.34Å; K355-L357 PolarHBondContact O-N 3.05Å; K355-N358 WeakPolarHBondContact O-CB 3.4Å; K355-N358 PolarHBondContact O-N 2.77Å; K355-N358 VanDerWaalsContact O-N 3.12Å; K355-D359 VanDerWaalsContact O-CG 3.24Å; K355-D359 PolarHBondContact O-N 3.47Å; K355-L371 HydrophobicContact CG-CD2 4.32Å; K355-H374 PolarHBondContact NZ-CE1 3.35Å
356	K	97.5	Very high	96.7	Very high	105 Å²	105	57.6 Å²	57.6	46%	0.457	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-42.9	178.4	-171.4	-179.4	-171.1	-176.6	0	112.6	E352 V353 A360 C427 I429	E352-K356 PolarHBondContact O-N 3.38Å; V353-K356 WeakPolarHBondContact O-CB 3.36Å; V353-K356 PolarHBondContact O-N 3.41Å; K356-A360 WeakPolarHBondContact O-CB 3.41Å; K356-A360 PolarHBondContact O-N 3.38Å; K356-A360 VanDerWaalsContact O-N 3.15Å; K356-C427 HydrophobicContact CD-CB 4.47Å; K356-C427 VanDerWaalsContact CE-O 3.23Å; K356-C427 WeakPolarHBondContact CE-O 3.47Å; K356-C427 PolarHBondContact NZ-O 3.12Å; K356-I429 HydrophobicContact CD-CD1 4.29Å
357	L	97.9	Very high	96.9	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-42.2	175.4	-71	172.2	0	0	0	111.3	V353 L354 K355 A360 D361 C368 L423 M424 C427 I429 F453	V353-L357 HydrophobicContact CG1-CD1 4.09Å; V353-L357 WeakPolarHBondContact O-CG 3.45Å; V353-L357 PolarHBondContact O-N 2.91Å; L354-L357 PolarHBondContact O-N 3Å; K355-L357 VanDerWaalsContact C-N 3.34Å; K355-L357 PolarHBondContact O-N 3.05Å; L357-A360 PolarHBondContact O-N 2.99Å; L357-D361 PolarHBondContact O-N 2.91Å; L357-C368 HydrophobicContact CD1-CB 4.44Å; L357-L423 HydrophobicContact CB-CD2 4.48Å; L357-L423 HydrophobicContact CD2-CD2 3.96Å; L357-L423 HydrophobicContact CD2-CG 3.97Å; L357-M424 HydrophobicContact CD2-CG 4.13Å; L357-C427 HydrophobicContact CD2-CB 4.25Å; L357-I429 HydrophobicContact CD1-CD1 4.22Å; L357-I429 HydrophobicContact CD2-CD1 3.51Å; L357-I429 HydrophobicContact CG-CD1 3.61Å; L357-F453 HydrophobicContact CD1-CD1 3.9Å; L357-F453 HydrophobicContact CD1-CE1 3.39Å; L357-F453 HydrophobicContact CD1-CE2 4.2Å; L357-F453 HydrophobicContact CD1-CG 4.49Å; L357-F453 HydrophobicContact CD1-CZ 3.56Å
358	N	97.7	Very high	97	Very high	27 Å²	27	57.9 Å²	57.9	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-43.4	179.6	-88.8	9	0	0	0	113.3	L354 K355 A360 D361 R370 L371	L354-N358 WeakPolarHBondContact O-CB 3.42Å; L354-N358 PolarHBondContact O-N 3.16Å; K355-N358 WeakPolarHBondContact O-CB 3.4Å; K355-N358 PolarHBondContact O-N 2.77Å; K355-N358 VanDerWaalsContact O-N 3.12Å; N358-A360 VanDerWaalsContact C-N 3.31Å; N358-D361 CarbonylContact O-C 3.44Å; N358-D361 PolarHBondContact O-N 2.98Å; N358-R370 VanDerWaalsContact CG-NH1 3.27Å; N358-R370 PolarHBondContact O-NH1 2.59Å; N358-R370 PolarHBondContact OD1-NH1 2.86Å; N358-L371 PolarHBondContact ND2-O 2.85Å
359	D	97.7	Very high	97.1	Very high	129 Å²	129	55.1 Å²	55.1	69%	0.69	27%	0.268	S	S	*	.	H	α-helix	trans	-67.6	-33.9	179.4	-66.1	-19.7	0	0	0	111.4	K355 D361	K355-D359 VanDerWaalsContact O-CG 3.24Å; K355-D359 PolarHBondContact O-N 3.47Å; D359-D361 VanDerWaalsContact C-N 3.35Å
360	A	97.5	Very high	97.3	Very high	34 Å²	34	51.1 Å²	51.1	28%	0.281	25%	0.252	S	S	.	.	H	α-helix	trans	-76.7	-19.3	176.7	0	0	0	0	0	113.9	K356 L357 N358 L423 C427	K356-A360 WeakPolarHBondContact O-CB 3.41Å; K356-A360 PolarHBondContact O-N 3.38Å; K356-A360 VanDerWaalsContact O-N 3.15Å; L357-A360 PolarHBondContact O-N 2.99Å; N358-A360 VanDerWaalsContact C-N 3.31Å; A360-L423 HydrophobicContact CB-CD1 3.8Å; A360-C427 WeakPolarHBondContact CB-SG 3.32Å
361	D	97.4	Very high	97.3	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.027	25%	0.254	C	S	.	.			trans	-130.7	73.1	175	-175.2	22.8	0	0	0	112.5	L357 N358 D359 Q363 D364 R365 F366 R370 L423	L357-D361 PolarHBondContact O-N 2.91Å; N358-D361 CarbonylContact O-C 3.44Å; N358-D361 PolarHBondContact O-N 2.98Å; D359-D361 VanDerWaalsContact C-N 3.35Å; D361-Q363 PolarHBondContact O-N 3Å; D361-D364 PolarHBondContact O-N 2.75Å; D361-D364 PolarHBondContact OD1-N 2.8Å; D361-D364 VanDerWaalsContact OD1-N 3.14Å; D361-D364 WeakPolarHBondContact OD2-CA 3.3Å; D361-R365 VanDerWaalsContact CG-N 3.34Å; D361-R365 PolarHBondContact OD1-N 3.21Å; D361-R365 PolarHBondContact OD2-N 3.01Å; D361-F366 HydrophobicContact CB-CD2 4.15Å; D361-F366 PolarHBondContact OD2-N 3.49Å; D361-R370 VanDerWaalsContact O-CZ 3.25Å; D361-R370 PolarHBondContact O-NH1 2.79Å; D361-R370 PolarHBondContact O-NH2 3.05Å; D361-R370 VanDerWaalsContact O-NH2 3.11Å; D361-L423 HydrophobicContact CB-CD1 4.16Å; D361-L423 HydrophobicContact CB-CD2 3.8Å
362	P	96.6	Very high	97.3	Very high	98 Å²	98	54.7 Å²	54.7	64%	0.636	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.2	-179.9	-24.1	35.3	0	0	0	113.5	R370	P362-R370 PolarHBondContact O-NH2 2.86Å
363	Q	95.5	Very high	97.3	Very high	135 Å²	135	51.3 Å²	51.3	63%	0.631	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	1.4	-175.9	-67.5	178.6	-14.6	0	0	113.6	D361 R365	D361-Q363 PolarHBondContact O-N 3Å; Q363-R365 VanDerWaalsContact C-N 3.35Å; Q363-R365 HydrophobicContact CB-CG 3.86Å; Q363-R365 PolarHBondContact O-N 3.33Å; Q363-R365 VanDerWaalsContact OE1-CZ 3.27Å; Q363-R365 VanDerWaalsContact OE1-NE 3.12Å
364	D	96.1	Very high	97.4	Very high	51 Å²	51	53.1 Å²	53.1	27%	0.273	25%	0.254	S	S	.	.			trans	58	39.8	177	-168.7	34.5	0	0	0	114.8	D361 R370 K449	D361-D364 PolarHBondContact O-N 2.75Å; D361-D364 PolarHBondContact OD1-N 2.8Å; D361-D364 VanDerWaalsContact OD1-N 3.14Å; D361-D364 WeakPolarHBondContact OD2-CA 3.3Å; D364-R370 HydrophobicContact CB-CG 4.4Å; D364-R370 WeakPolarHBondContact OD1-CD 3.44Å; D364-R370 VanDerWaalsContact OD1-CG 3.24Å; D364-R370 WeakPolarHBondContact OD1-CG 3.48Å; D364-R370 IonicContact OD1-NE 3.73Å; D364-K449 IonicContact OD1-NZ 3.53Å; D364-K449 PolarHBondContact OD1-NZ 2.75Å; D364-K449 IonicContact OD2-NZ 3.94Å; D364-K449 PolarHBondContact OD2-NZ 3.07Å
365	R	95.7	Very high	97.4	Very high	118 Å²	118	53.6 Å²	53.6	45%	0.445	26%	0.256	S	S	.	.			trans	-93.4	-12.1	-174.9	-61.4	-172.9	-60.9	168.1	-2.1	114.3	D361 Q363	D361-R365 VanDerWaalsContact CG-N 3.34Å; D361-R365 PolarHBondContact OD1-N 3.21Å; D361-R365 PolarHBondContact OD2-N 3.01Å; Q363-R365 VanDerWaalsContact C-N 3.35Å; Q363-R365 HydrophobicContact CB-CG 3.86Å; Q363-R365 PolarHBondContact O-N 3.33Å; Q363-R365 VanDerWaalsContact OE1-CZ 3.27Å; Q363-R365 VanDerWaalsContact OE1-NE 3.12Å
366	F	97.6	Very high	97.3	Very high	19 Å²	19	54.8 Å²	54.8	8%	0.083	26%	0.262	C	S	.	.	S	Bend	trans	-113.9	25.3	-171.2	-65.1	-88.7	0	0	0	113.5	L177 D361 C368 L419 A420 L423	L177-F366 HydrophobicContact CD1-CE2 4.43Å; L177-F366 HydrophobicContact CD1-CZ 4.16Å; L177-F366 HydrophobicContact CD2-CZ 4.2Å; D361-F366 HydrophobicContact CB-CD2 4.15Å; D361-F366 PolarHBondContact OD2-N 3.49Å; F366-C368 VanDerWaalsContact C-N 3.26Å; F366-C368 PolarHBondContact O-N 2.91Å; F366-L419 HydrophobicContact CD1-CB 4.14Å; F366-L419 HydrophobicContact CD1-CD2 4.34Å; F366-L419 WeakPolarHBondContact CD1-O 3.37Å; F366-L419 HydrophobicContact CE1-CD2 4.34Å; F366-A420 WeakPolarHBondContact O-CA 3.32Å; F366-A420 WeakPolarHBondContact O-CB 3.48Å; F366-A420 PolarHBondContact O-N 2.99Å; F366-L423 HydrophobicContact CB-CB 3.62Å; F366-L423 HydrophobicContact CB-CD2 3.82Å; F366-L423 HydrophobicContact CB-CG 4.22Å; F366-L423 HydrophobicContact CD1-CB 4.22Å; F366-L423 HydrophobicContact CG-CB 3.95Å
367	H	97.9	Very high	97.2	Very high	22 Å²	22	51.2 Å²	51.2	10%	0.102	25%	0.247	C	C	.	.			trans	55.5	30.7	162.3	-58.1	-83.7	0	0	0	116.5	Q416 A420 L448 K449 L450	H367-Q416 HydrophobicContact CB-CB 4.4Å; H367-Q416 WeakPolarHBondContact CE1-CG 3.47Å; H367-Q416 PolarHBondContact CE1-OE1 3.25Å; H367-Q416 PolarHBondContact ND1-OE1 2.72Å; H367-Q416 VanDerWaalsContact ND1-OE1 3.09Å; H367-A420 HydrophobicContact CB-CB 4.3Å; H367-L448 HydrophobicContact CB-CD1 4.33Å; H367-L448 PolarHBondContact ND1-O 3.43Å; H367-L448 VanDerWaalsContact ND1-O 3.1Å; H367-K449 CarbonylContact O-C 3.57Å; H367-K449 WeakPolarHBondContact O-CA 3.3Å; H367-L450 PolarHBondContact O-N 3.45Å
368	C	98.2	Very high	96.9	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.027	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-99.4	139.9	167.1	-66.3	0	0	0	0	109.3	L357 F366 R370 L423 F453	L357-C368 HydrophobicContact CD1-CB 4.44Å; F366-C368 VanDerWaalsContact C-N 3.26Å; F366-C368 PolarHBondContact O-N 2.91Å; C368-R370 PolarHBondContact O-N 3.47Å; C368-L423 HydrophobicContact CB-CD2 4.38Å; C368-F453 HydrophobicContact CB-CZ 4.21Å
369	L	97.9	Very high	96.6	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.073	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.5	128.5	-175.9	-173.3	72.1	0	0	0	111.6	L371 F385 E386 M388 L440 K449 L450	L369-L371 PolarHBondContact O-N 2.71Å; L369-F385 HydrophobicContact CD2-CB 4.2Å; L369-F385 HydrophobicContact CD2-CD1 3.58Å; L369-F385 HydrophobicContact CD2-CE1 4.08Å; L369-F385 HydrophobicContact CD2-CG 3.94Å; L369-F385 HydrophobicContact CG-CB 4.44Å; L369-F385 HydrophobicContact CG-CD1 3.89Å; L369-F385 HydrophobicContact CG-CG 4.46Å; L369-E386 HydrophobicContact CD1-CG 3.56Å; L369-E386 HydrophobicContact CG-CG 4.39Å; L369-M388 HydrophobicContact CD1-CG 3.68Å; L369-L440 HydrophobicContact CD1-CD1 4.09Å; L369-L440 HydrophobicContact CD2-CD1 4.18Å; L369-K449 HydrophobicContact CB-CB 4.34Å; L369-K449 HydrophobicContact CD1-CB 4.15Å; L369-L450 VanDerWaalsContact CB-O 3.3Å; L369-L450 WeakPolarHBondContact CB-O 3.27Å; L369-L450 PolarHBondContact N-O 3.38Å
370	R	97.8	Very high	96.5	Very high	39 Å²	39	52.5 Å²	52.5	15%	0.147	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-82.7	118.9	-174	-62.3	-67.9	-86	173.9	-14.8	112.2	N358 D361 P362 D364 C368 Y372 F385 E386	N358-R370 VanDerWaalsContact CG-NH1 3.27Å; N358-R370 PolarHBondContact O-NH1 2.59Å; N358-R370 PolarHBondContact OD1-NH1 2.86Å; D361-R370 VanDerWaalsContact O-CZ 3.25Å; D361-R370 PolarHBondContact O-NH1 2.79Å; D361-R370 PolarHBondContact O-NH2 3.05Å; D361-R370 VanDerWaalsContact O-NH2 3.11Å; P362-R370 PolarHBondContact O-NH2 2.86Å; D364-R370 HydrophobicContact CB-CG 4.4Å; D364-R370 WeakPolarHBondContact OD1-CD 3.44Å; D364-R370 VanDerWaalsContact OD1-CG 3.24Å; D364-R370 WeakPolarHBondContact OD1-CG 3.48Å; D364-R370 IonicContact OD1-NE 3.73Å; C368-R370 PolarHBondContact O-N 3.47Å; R370-Y372 HydrophobicContact CB-CE1 4.38Å; R370-F385 VanDerWaalsContact O-CA 3.28Å; R370-F385 WeakPolarHBondContact O-CA 3.49Å; R370-E386 HydrophobicContact CB-CB 4.42Å; R370-E386 HydrophobicContact CB-CG 4.16Å; R370-E386 WeakPolarHBondContact CB-OE1 3.23Å; R370-E386 WeakPolarHBondContact CG-OE1 3.25Å; R370-E386 PolarHBondContact N-OE1 3.46Å; R370-E386 PolarHBondContact O-N 2.85Å
371	L	98.1	Very high	96.5	Very high	11 Å²	11	51 Å²	51	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.1	167.1	179	74.2	0	0	0	110.1	L351 L354 K355 N358 L369 R373 M383 F385	L351-L371 HydrophobicContact CD1-CD2 3.46Å; L351-L371 VanDerWaalsContact CD1-CD2 3.46Å; L354-L371 HydrophobicContact CB-CB 4.18Å; L354-L371 HydrophobicContact CB-CD2 3.98Å; K355-L371 HydrophobicContact CG-CD2 4.32Å; N358-L371 PolarHBondContact ND2-O 2.85Å; L369-L371 PolarHBondContact O-N 2.71Å; L371-R373 WeakPolarHBondContact CD1-O 3.12Å; L371-M383 HydrophobicContact CD1-CB 3.82Å; L371-M383 HydrophobicContact CD1-CG 4.32Å; L371-F385 HydrophobicContact CB-CD1 4.29Å; L371-F385 HydrophobicContact CB-CE1 4.13Å; L371-F385 HydrophobicContact CD1-CD1 4.22Å; L371-F385 HydrophobicContact CD1-CE1 3.86Å; L371-F385 HydrophobicContact CD1-CE2 4.43Å; L371-F385 HydrophobicContact CD1-CZ 3.97Å
372	Y	97.4	Very high	96.6	Very high	80 Å²	80	50.7 Å²	50.7	31%	0.314	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-44.5	174	-65.5	-28.6	0	0	0	112.9	L330 V332 R370 V384 E386	L330-Y372 HydrophobicContact CD2-CE2 4.09Å; V332-Y372 HydrophobicContact CG1-CD2 3.97Å; V332-Y372 HydrophobicContact CG1-CE2 3.98Å; R370-Y372 HydrophobicContact CB-CE1 4.38Å; Y372-V384 HydrophobicContact CD2-CG1 4.41Å; Y372-V384 PolarHBondContact N-O 3.21Å; Y372-E386 HydrophobicContact CE1-CB 4.4Å; Y372-E386 HydrophobicContact CE2-CB 4.27Å; Y372-E386 WeakPolarHBondContact OH-CB 3.33Å
373	R	97	Very high	96.6	Very high	70 Å²	70	46 Å²	46	26%	0.264	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	178	174.9	59.7	178.8	-78.6	-115.5	4.4	111.3	D302 Y305 L371 V384	D302-R373 IonicContact OD2-CZ 2.62Å; D302-R373 IonicContact OD2-NH1 3.31Å; D302-R373 PolarHBondContact OD2-NH1 2.89Å; D302-R373 IonicContact OD2-NH2 2.72Å; D302-R373 PolarHBondContact OD2-NH2 3.46Å; Y305-R373 WeakPolarHBondContact OH-CD 3.41Å; Y305-R373 WeakPolarHBondContact OH-CG 3.4Å; Y305-R373 PolarHBondContact OH-NH1 2.79Å; Y305-R373 VanDerWaalsContact OH-NH1 3.08Å; L371-R373 WeakPolarHBondContact CD1-O 3.12Å; R373-V384 HydrophobicContact CG-CB 4.18Å; R373-V384 HydrophobicContact CG-CG2 4.11Å; R373-V384 PolarHBondContact N-O 3.02Å; R373-V384 PolarHBondContact O-N 2.99Å
374	H	97.9	Very high	96.8	Very high	60 Å²	60	39.6 Å²	39.6	28%	0.278	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162.3	170.3	65.6	-67.1	0	0	0	109.8	L351 K355 L381 C382 M383	L351-H374 HydrophobicContact CD1-CB 3.89Å; L351-H374 HydrophobicContact CD2-CB 4.26Å; K355-H374 PolarHBondContact NZ-CE1 3.35Å; H374-L381 HydrophobicContact CB-CD1 4.31Å; H374-C382 CarbonylContact C-O 3.56Å; H374-C382 WeakPolarHBondContact CA-O 3.36Å; H374-C382 WeakPolarHBondContact CB-O 3.25Å; H374-M383 HydrophobicContact CB-CG 4.28Å
375	F	97.9	Very high	96.9	Very high	12 Å²	12	37.7 Å²	37.7	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	166.4	171.6	59.7	-89.2	0	0	0	109.5	L301 D302 Y305 I334 H377 C382 V384	L301-F375 HydrophobicContact CB-CE2 4.16Å; L301-F375 HydrophobicContact CB-CZ 4.02Å; D302-F375 HydrophobicContact CB-CD1 4.28Å; D302-F375 HydrophobicContact CB-CD2 3.67Å; D302-F375 HydrophobicContact CB-CE1 4.31Å; D302-F375 HydrophobicContact CB-CE2 3.71Å; D302-F375 HydrophobicContact CB-CG 3.97Å; D302-F375 HydrophobicContact CB-CZ 4.04Å; Y305-F375 HydrophobicContact CD2-CD1 4.42Å; Y305-F375 AromaticContact CD2-CE1 3.57Å; Y305-F375 HydrophobicContact CD2-CE1 3.57Å; Y305-F375 AromaticContact CD2-CZ 3.85Å; Y305-F375 HydrophobicContact CD2-CZ 3.85Å; Y305-F375 AromaticContact CE2-CD1 3.91Å; Y305-F375 HydrophobicContact CE2-CD1 3.91Å; Y305-F375 AromaticContact CE2-CE1 3.41Å; Y305-F375 HydrophobicContact CE2-CE1 3.41Å; Y305-F375 VanDerWaalsContact CE2-CE1 3.41Å; Y305-F375 HydrophobicContact CE2-CZ 4.16Å; I334-F375 HydrophobicContact CD1-CZ 4.47Å; I334-F375 HydrophobicContact CG2-CZ 4.34Å; F375-H377 HydrophobicContact CD2-CB 4.05Å; F375-H377 HydrophobicContact CE2-CB 3.81Å; F375-C382 HydrophobicContact CD1-CB 4.08Å; F375-C382 HydrophobicContact CD2-CB 3.74Å; F375-C382 HydrophobicContact CE1-CB 3.78Å; F375-C382 HydrophobicContact CE2-CB 3.41Å; F375-C382 VanDerWaalsContact CE2-CB 3.41Å; F375-C382 HydrophobicContact CG-CB 4.06Å; F375-C382 HydrophobicContact CZ-CB 3.44Å; F375-C382 VanDerWaalsContact CZ-CB 3.44Å; F375-C382 PolarHBondContact N-O 3.38Å; F375-C382 WeakPolarHBondContact O-CB 3.5Å; F375-C382 PolarHBondContact O-N 2.62Å; F375-V384 HydrophobicContact CD1-CG2 3.98Å; F375-V384 HydrophobicContact CE1-CG2 3.54Å
376	F	96.4	Very high	96.9	Very high	115 Å²	115	33.3 Å²	33.3	50%	0.504	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133	172.1	-67	-84.2	0	0	0	109.5	H344 L348 H380 L381	H344-F376 AromaticContact NE2-CE1 3.53Å; L348-F376 HydrophobicContact CD2-CZ 4.36Å; F376-H380 VanDerWaalsContact CA-O 3.3Å; F376-H380 WeakPolarHBondContact CA-O 3.3Å; F376-L381 HydrophobicContact CD1-CB 4.37Å; F376-L381 HydrophobicContact CD1-CD1 4.46Å; F376-L381 HydrophobicContact CE1-CB 4.03Å; F376-L381 HydrophobicContact CE1-CD1 3.92Å; F376-L381 HydrophobicContact CZ-CD1 4.02Å
377	H	94.9	Very high	96.9	Very high	31 Å²	31	34.7 Å²	34.7	14%	0.144	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	114.5	177.3	-179	82.6	0	0	0	109	Y293 L301 F375 N379 H380	Y293-H377 AromaticContact CZ-CD2 3.7Å; Y293-H377 AromaticContact CZ-NE2 3.46Å; Y293-H377 PolarHBondContact OH-NE2 2.98Å; L301-H377 WeakPolarHBondContact CD2-NE2 3.44Å; F375-H377 HydrophobicContact CD2-CB 4.05Å; F375-H377 HydrophobicContact CE2-CB 3.81Å; H377-N379 VanDerWaalsContact C-N 3.32Å; H377-N379 PolarHBondContact O-N 3.11Å; H377-H380 PolarHBondContact N-O 2.8Å; H377-H380 WeakPolarHBondContact O-CB 3.37Å; H377-H380 PolarHBondContact O-N 3.45Å
378	K	91.7	Very high	96.8	Very high	71 Å²	71	34.6 Å²	34.6	31%	0.309	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	50.4	179	-59.9	169.7	179.4	174.1	0	112.5	W286 Y293 H380	W286-K378 HydrophobicContact CB-CD 4.28Å; W286-K378 HydrophobicContact CD2-CD 3.75Å; W286-K378 VanDerWaalsContact CD2-NZ 3.26Å; W286-K378 HydrophobicContact CE3-CD 4.23Å; W286-K378 HydrophobicContact CG-CD 3.75Å; Y293-K378 HydrophobicContact CE2-CB 4.47Å; Y293-K378 HydrophobicContact CE2-CD 3.51Å; Y293-K378 PolarHBondContact OH-NZ 3.05Å; K378-H380 PolarHBondContact O-CD2 3.35Å; K378-H380 PolarHBondContact O-N 3.17Å
379	N	91.5	Very high	96.7	Very high	113 Å²	113	37 Å²	37	60%	0.604	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	4.5	-177.3	-53.3	-30.4	0	0	0	116.5	H377	H377-N379 VanDerWaalsContact C-N 3.32Å; H377-N379 PolarHBondContact O-N 3.11Å
380	H	96.3	Very high	96.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.1	170.3	-62.9	-90.3	0	0	0	111.6	D287 G291 Y293 I336 I337 N339 F376 H377 K378 C382	D287-H380 IonicContact OD1-CD2 3.77Å; D287-H380 IonicContact OD1-CE1 3.62Å; D287-H380 IonicContact OD1-NE2 2.59Å; D287-H380 PolarHBondContact OD1-NE2 3.23Å; D287-H380 IonicContact OD2-NE2 2.85Å; G291-H380 PolarHBondContact O-CE1 3.1Å; G291-H380 VanDerWaalsContact O-CE1 3.32Å; Y293-H380 AromaticContact CD2-CD2 3.84Å; Y293-H380 AromaticContact CD2-NE2 3.87Å; Y293-H380 PolarHBondContact N-CE1 3.09Å; I336-H380 HydrophobicContact CG2-CB 3.68Å; I337-H380 PolarHBondContact O-ND1 3.44Å; N339-H380 WeakPolarHBondContact CB-CE1 3.33Å; F376-H380 VanDerWaalsContact CA-O 3.3Å; F376-H380 WeakPolarHBondContact CA-O 3.3Å; H377-H380 PolarHBondContact N-O 2.8Å; H377-H380 WeakPolarHBondContact O-CB 3.37Å; H377-H380 PolarHBondContact O-N 3.45Å; K378-H380 PolarHBondContact O-CD2 3.35Å; K378-H380 PolarHBondContact O-N 3.17Å; H380-C382 PolarHBondContact O-N 2.94Å
381	L	97.3	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.6	163.5	173.5	61.8	0	0	0	108.8	I337 G347 L348 L351 H374 F376 M383	I337-L381 HydrophobicContact CB-CB 4.12Å; I337-L381 WeakPolarHBondContact CB-O 3.35Å; I337-L381 HydrophobicContact CG1-CB 4.08Å; I337-L381 HydrophobicContact CG1-CD2 4.2Å; I337-L381 HydrophobicContact CG1-CG 4.18Å; I337-L381 WeakPolarHBondContact CG1-O 3.47Å; I337-L381 PolarHBondContact N-O 2.72Å; G347-L381 VanDerWaalsContact C-CD2 3.48Å; L348-L381 HydrophobicContact CD2-CD2 4.12Å; L348-L381 HydrophobicContact CG-CD2 4.43Å; L351-L381 HydrophobicContact CD2-CD1 4.4Å; H374-L381 HydrophobicContact CB-CD1 4.31Å; F376-L381 HydrophobicContact CD1-CB 4.37Å; F376-L381 HydrophobicContact CD1-CD1 4.46Å; F376-L381 HydrophobicContact CE1-CB 4.03Å; F376-L381 HydrophobicContact CE1-CD1 3.92Å; F376-L381 HydrophobicContact CZ-CD1 4.02Å; L381-M383 HydrophobicContact CG-CG 4.35Å
382	C	98.1	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.1	176.8	-64.5	0	0	0	0	109.8	I334 K335 H374 F375 H380	I334-C382 HydrophobicContact CG2-CB 4.06Å; K335-C382 CarbonylContact O-C 3.54Å; K335-C382 WeakPolarHBondContact O-CA 3.4Å; H374-C382 CarbonylContact C-O 3.56Å; H374-C382 WeakPolarHBondContact CA-O 3.36Å; H374-C382 WeakPolarHBondContact CB-O 3.25Å; F375-C382 HydrophobicContact CD1-CB 4.08Å; F375-C382 HydrophobicContact CD2-CB 3.74Å; F375-C382 HydrophobicContact CE1-CB 3.78Å; F375-C382 HydrophobicContact CE2-CB 3.41Å; F375-C382 VanDerWaalsContact CE2-CB 3.41Å; F375-C382 HydrophobicContact CG-CB 4.06Å; F375-C382 HydrophobicContact CZ-CB 3.44Å; F375-C382 VanDerWaalsContact CZ-CB 3.44Å; F375-C382 PolarHBondContact N-O 3.38Å; F375-C382 WeakPolarHBondContact O-CB 3.5Å; F375-C382 PolarHBondContact O-N 2.62Å; H380-C382 PolarHBondContact O-N 2.94Å
383	M	98.3	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.8	177.3	-66.4	-174.8	-64.4	0	0	109.7	I334 K335 I337 E350 L351 L354 L371 H374 L381 F385	I334-M383 CarbonylContact C-O 3.56Å; I334-M383 VanDerWaalsContact CA-O 3.31Å; I334-M383 WeakPolarHBondContact CA-O 3.25Å; K335-M383 HydrophobicContact CB-CB 4.49Å; K335-M383 HydrophobicContact CB-CE 4.47Å; K335-M383 HydrophobicContact CD-CE 3.78Å; K335-M383 HydrophobicContact CG-CE 4.42Å; K335-M383 PolarHBondContact N-O 3.15Å; K335-M383 PolarHBondContact O-N 3.18Å; I337-M383 HydrophobicContact CD1-CE 3.93Å; I337-M383 HydrophobicContact CG1-CE 4.29Å; E350-M383 HydrophobicContact CG-CE 4.38Å; L351-M383 HydrophobicContact CB-SD 4.06Å; L351-M383 HydrophobicContact CD1-SD 4.33Å; L354-M383 HydrophobicContact CD1-SD 4.24Å; L371-M383 HydrophobicContact CD1-CB 3.82Å; L371-M383 HydrophobicContact CD1-CG 4.32Å; H374-M383 HydrophobicContact CB-CG 4.28Å; L381-M383 HydrophobicContact CG-CG 4.35Å; M383-F385 HydrophobicContact CB-CD2 4.27Å; M383-F385 HydrophobicContact CB-CE2 3.41Å; M383-F385 VanDerWaalsContact CB-CE2 3.41Å; M383-F385 HydrophobicContact CB-CZ 3.77Å; M383-F385 HydrophobicContact CE-CE2 4.33Å; M383-F385 HydrophobicContact CE-CZ 4.14Å; M383-F385 WeakPolarHBondContact O-CD2 3.29Å; M383-F385 HydrophobicContact SD-CZ 4.28Å
384	V	98.2	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.3	-175.8	-173.6	0	0	0	0	108.7	Y305 V332 I334 Y372 R373 F375	Y305-V384 HydrophobicContact CE1-CG1 3.89Å; Y305-V384 HydrophobicContact CE1-CG2 4.23Å; Y305-V384 HydrophobicContact CE2-CG2 3.92Å; V332-V384 HydrophobicContact CB-CG1 3.84Å; V332-V384 HydrophobicContact CG1-CG1 4.09Å; V332-V384 HydrophobicContact CG2-CG1 3.9Å; I334-V384 HydrophobicContact CD1-CG2 4.48Å; I334-V384 HydrophobicContact CG1-CG1 4.47Å; I334-V384 HydrophobicContact CG1-CG2 4.26Å; Y372-V384 HydrophobicContact CD2-CG1 4.41Å; Y372-V384 PolarHBondContact N-O 3.21Å; R373-V384 HydrophobicContact CG-CB 4.18Å; R373-V384 HydrophobicContact CG-CG2 4.11Å; R373-V384 PolarHBondContact N-O 3.02Å; R373-V384 PolarHBondContact O-N 2.99Å; F375-V384 HydrophobicContact CD1-CG2 3.98Å; F375-V384 HydrophobicContact CE1-CG2 3.54Å
385	F	98.3	Very high	96.3	Very high	10 Å²	10	31.8 Å²	31.8	4%	0.044	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	163.3	-177.7	-62.7	-85.9	0	0	0	111.6	V332 A333 K335 L354 L369 R370 L371 M383	V332-F385 WeakPolarHBondContact CB-O 3.48Å; A333-F385 HydrophobicContact CB-CB 4.45Å; A333-F385 PolarHBondContact N-O 3.35Å; A333-F385 VanDerWaalsContact N-O 3.11Å; A333-F385 PolarHBondContact O-N 3.11Å; K335-F385 HydrophobicContact CB-CD2 4.23Å; K335-F385 HydrophobicContact CB-CE2 3.68Å; K335-F385 HydrophobicContact CD-CE2 4.33Å; L354-F385 HydrophobicContact CD1-CE1 3.51Å; L354-F385 HydrophobicContact CD1-CZ 3.61Å; L354-F385 HydrophobicContact CD2-CE1 4.15Å; L354-F385 HydrophobicContact CG-CE1 4.46Å; L369-F385 HydrophobicContact CD2-CB 4.2Å; L369-F385 HydrophobicContact CD2-CD1 3.58Å; L369-F385 HydrophobicContact CD2-CE1 4.08Å; L369-F385 HydrophobicContact CD2-CG 3.94Å; L369-F385 HydrophobicContact CG-CB 4.44Å; L369-F385 HydrophobicContact CG-CD1 3.89Å; L369-F385 HydrophobicContact CG-CG 4.46Å; R370-F385 VanDerWaalsContact O-CA 3.28Å; R370-F385 WeakPolarHBondContact O-CA 3.49Å; L371-F385 HydrophobicContact CB-CD1 4.29Å; L371-F385 HydrophobicContact CB-CE1 4.13Å; L371-F385 HydrophobicContact CD1-CD1 4.22Å; L371-F385 HydrophobicContact CD1-CE1 3.86Å; L371-F385 HydrophobicContact CD1-CE2 4.43Å; L371-F385 HydrophobicContact CD1-CZ 3.97Å; M383-F385 HydrophobicContact CB-CD2 4.27Å; M383-F385 HydrophobicContact CB-CE2 3.41Å; M383-F385 VanDerWaalsContact CB-CE2 3.41Å; M383-F385 HydrophobicContact CB-CZ 3.77Å; M383-F385 HydrophobicContact CE-CE2 4.33Å; M383-F385 HydrophobicContact CE-CZ 4.14Å; M383-F385 WeakPolarHBondContact O-CD2 3.29Å; M383-F385 HydrophobicContact SD-CZ 4.28Å
386	E	97.2	Very high	96.2	Very high	26 Å²	26	31.8 Å²	31.8	12%	0.121	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	144.9	158.4	67.7	-177.8	137.9	0	0	110.9	L369 R370 Y372 M388 K449	L369-E386 HydrophobicContact CD1-CG 3.56Å; L369-E386 HydrophobicContact CG-CG 4.39Å; R370-E386 HydrophobicContact CB-CB 4.42Å; R370-E386 HydrophobicContact CB-CG 4.16Å; R370-E386 WeakPolarHBondContact CB-OE1 3.23Å; R370-E386 WeakPolarHBondContact CG-OE1 3.25Å; R370-E386 PolarHBondContact N-OE1 3.46Å; R370-E386 PolarHBondContact O-N 2.85Å; Y372-E386 HydrophobicContact CE1-CB 4.4Å; Y372-E386 HydrophobicContact CE2-CB 4.27Å; Y372-E386 WeakPolarHBondContact OH-CB 3.33Å; E386-M388 HydrophobicContact CG-CG 4.47Å; E386-M388 HydrophobicContact CG-SD 4.38Å; E386-K449 WeakPolarHBondContact OE1-CE 3.47Å
387	L	96.9	Very high	96.1	Very high	49 Å²	49	33.1 Å²	33.1	26%	0.257	16%	0.163	S	C	.	.			trans	-84.3	122.8	178.6	-177.1	62.6	0	0	0	110.2	R321 E331 A333	R321-L387 HydrophobicContact CG-CD1 4.06Å; E331-L387 HydrophobicContact CB-CD2 3.66Å; A333-L387 HydrophobicContact CB-CD1 4.02Å
388	M	96.6	Very high	96	Very high	19 Å²	19	37.7 Å²	37.7	9%	0.094	18%	0.182	C	C	.	.			trans	-109.5	157.3	172.2	-58.8	-64.3	-74.7	0	0	110.3	L369 E386 L440 V441 K449	L369-M388 HydrophobicContact CD1-CG 3.68Å; E386-M388 HydrophobicContact CG-CG 4.47Å; E386-M388 HydrophobicContact CG-SD 4.38Å; M388-L440 HydrophobicContact CB-CB 3.6Å; M388-L440 HydrophobicContact CB-CD1 3.88Å; M388-L440 HydrophobicContact CB-CG 4.31Å; M388-L440 HydrophobicContact CE-CB 4.01Å; M388-L440 WeakPolarHBondContact CE-O 3.28Å; M388-L440 HydrophobicContact CG-CB 3.76Å; M388-L440 HydrophobicContact CG-CD1 3.91Å; M388-L440 HydrophobicContact CG-CG 4.49Å; M388-V441 VanDerWaalsContact CE-C 3.41Å; M388-K449 HydrophobicContact CE-CB 3.91Å; M388-K449 HydrophobicContact CE-CG 3.61Å; M388-K449 HydrophobicContact SD-CG 3.96Å
389	S	95.2	Very high	95.9	Very high	54 Å²	54	37.1 Å²	37.1	38%	0.378	18%	0.178	S	C	.	.			trans	-85.5	-65.9	-171.6	-172.9	0	0	0	0	112.8	V441	S389-V441 WeakPolarHBondContact CB-O 3.44Å; S389-V441 PolarHBondContact N-O 3.36Å
390	L	95.2	Very high	95.6	Very high	22 Å²	22	31.8 Å²	31.8	12%	0.115	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.4	-175.9	-62	177.1	0	0	0	109.8	E394 V395 K398 L440 V441	L390-E394 WeakPolarHBondContact CA-OE2 3.34Å; L390-E394 HydrophobicContact CB-CB 4.26Å; L390-E394 HydrophobicContact CD2-CB 4.35Å; L390-V395 HydrophobicContact CB-CG2 4.04Å; L390-V395 HydrophobicContact CD1-CG2 4.25Å; L390-K398 HydrophobicContact CD1-CD 4.09Å; L390-L440 CarbonylContact O-C 3.57Å; L390-L440 WeakPolarHBondContact O-CA 3.2Å; L390-V441 HydrophobicContact CB-CG2 4.12Å; L390-V441 PolarHBondContact N-O 3.17Å; L390-V441 WeakPolarHBondContact O-CG2 3.4Å; L390-V441 PolarHBondContact O-N 3.14Å
391	N	96.8	Very high	95	Very high	33 Å²	33	40.9 Å²	40.9	18%	0.176	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	161.8	161.4	63.3	51.6	0	0	0	111.4	R393 E394 V395 D437 I439 L440	N391-R393 PolarHBondContact O-N 3.07Å; N391-R393 VanDerWaalsContact OD1-CB 3.25Å; N391-R393 WeakPolarHBondContact OD1-CB 3.48Å; N391-R393 PolarHBondContact OD1-N 2.9Å; N391-E394 PolarHBondContact N-OE2 2.84Å; N391-E394 PolarHBondContact ND2-OE2 3.25Å; N391-E394 WeakPolarHBondContact O-CB 3.46Å; N391-E394 PolarHBondContact O-N 3.24Å; N391-E394 VanDerWaalsContact O-N 3.11Å; N391-E394 VanDerWaalsContact OD1-CG 3.26Å; N391-E394 WeakPolarHBondContact OD1-CG 3.41Å; N391-E394 PolarHBondContact OD1-N 2.87Å; N391-V395 WeakPolarHBondContact O-CG2 3.4Å; N391-V395 PolarHBondContact O-N 2.98Å; N391-D437 WeakPolarHBondContact CB-O 3.47Å; N391-I439 CarbonylContact C-O 3.17Å; N391-I439 VanDerWaalsContact CA-O 3.24Å; N391-I439 WeakPolarHBondContact CA-O 3.3Å; N391-L440 HydrophobicContact CB-CD2 3.8Å
392	L	97.5	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-24.3	-178.5	-73.4	-176.8	0	0	0	113.3	V395 L396 Y413 P436 I439 V441 L448 L500	L392-V395 HydrophobicContact CD2-CB 4.44Å; L392-V395 HydrophobicContact CD2-CG2 4.42Å; L392-V395 PolarHBondContact O-N 3.05Å; L392-L396 WeakPolarHBondContact O-CB 3.48Å; L392-L396 PolarHBondContact O-N 2.98Å; L392-Y413 HydrophobicContact CD2-CD2 4.28Å; L392-Y413 HydrophobicContact CD2-CE2 3.75Å; L392-P436 HydrophobicContact CB-CB 4.13Å; L392-P436 WeakPolarHBondContact CB-O 3.47Å; L392-P436 PolarHBondContact N-O 3.48Å; L392-I439 HydrophobicContact CB-CB 4.48Å; L392-I439 HydrophobicContact CD1-CB 3.71Å; L392-I439 HydrophobicContact CD1-CD1 4.08Å; L392-I439 HydrophobicContact CD1-CG2 3.37Å; L392-I439 HydrophobicContact CG-CB 4.03Å; L392-I439 HydrophobicContact CG-CG2 3.85Å; L392-I439 PolarHBondContact N-O 3.32Å; L392-V441 HydrophobicContact CD2-CG1 3.39Å; L392-V441 HydrophobicContact CG-CG1 4.1Å; L392-L448 HydrophobicContact CD1-CD2 4.42Å; L392-L500 HydrophobicContact CB-CD2 3.87Å; L392-L500 HydrophobicContact CD1-CD1 3.63Å; L392-L500 HydrophobicContact CD1-CD2 4.21Å; L392-L500 HydrophobicContact CG-CD2 4.48Å
393	R	96.7	Very high	93.9	Very high	37 Å²	37	50.5 Å²	50.5	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-46.8	170.5	179.5	74.4	62.5	-156.6	-6.7	111.1	N391 L396 K397 P436 D437 Y473 E499	N391-R393 PolarHBondContact O-N 3.07Å; N391-R393 VanDerWaalsContact OD1-CB 3.25Å; N391-R393 WeakPolarHBondContact OD1-CB 3.48Å; N391-R393 PolarHBondContact OD1-N 2.9Å; R393-L396 PolarHBondContact O-N 3.15Å; R393-K397 HydrophobicContact CG-CD 4.36Å; R393-K397 WeakPolarHBondContact O-CG 3.33Å; R393-K397 PolarHBondContact O-N 3.4Å; R393-P436 HydrophobicContact CB-CB 4.07Å; R393-P436 PolarHBondContact N-O 3.08Å; R393-P436 VanDerWaalsContact N-O 3.13Å; R393-D437 WeakPolarHBondContact CB-OD1 3.25Å; R393-D437 VanDerWaalsContact CG-OD1 3.25Å; R393-D437 WeakPolarHBondContact CG-OD1 3.45Å; R393-D437 IonicContact CZ-OD1 2.82Å; R393-D437 IonicContact CZ-OD2 3.75Å; R393-D437 IonicContact NE-OD1 3.46Å; R393-D437 PolarHBondContact NE-OD1 3.02Å; R393-D437 IonicContact NE-OD2 3.31Å; R393-D437 PolarHBondContact NE-OD2 3.14Å; R393-D437 IonicContact NH2-OD1 3.74Å; R393-D437 IonicContact NH2-OD2 3.52Å; R393-D437 PolarHBondContact NH2-OD2 2.85Å; R393-Y473 PolarHBondContact NH2-OH 3.45Å; R393-E499 IonicContact CZ-OE1 3.55Å; R393-E499 VanDerWaalsContact NH1-CD 3.34Å; R393-E499 IonicContact NH1-OE1 3.81Å; R393-E499 PolarHBondContact NH1-OE1 3.07Å; R393-E499 IonicContact NH1-OE2 2.88Å
394	E	95.8	Very high	93.6	Very high	73 Å²	73	50.8 Å²	50.8	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-41	178.1	-69.8	170	139.8	0	0	111.5	L390 N391 L396 K397 K398	L390-E394 WeakPolarHBondContact CA-OE2 3.34Å; L390-E394 HydrophobicContact CB-CB 4.26Å; L390-E394 HydrophobicContact CD2-CB 4.35Å; N391-E394 PolarHBondContact N-OE2 2.84Å; N391-E394 PolarHBondContact ND2-OE2 3.25Å; N391-E394 WeakPolarHBondContact O-CB 3.46Å; N391-E394 PolarHBondContact O-N 3.24Å; N391-E394 VanDerWaalsContact O-N 3.11Å; N391-E394 VanDerWaalsContact OD1-CG 3.26Å; N391-E394 WeakPolarHBondContact OD1-CG 3.41Å; N391-E394 PolarHBondContact OD1-N 2.87Å; E394-L396 VanDerWaalsContact C-N 3.33Å; E394-L396 PolarHBondContact O-N 3.12Å; E394-K397 PolarHBondContact O-N 3.35Å; E394-K398 WeakPolarHBondContact O-CB 3.45Å; E394-K398 WeakPolarHBondContact O-CG 3.3Å; E394-K398 PolarHBondContact O-N 2.99Å
395	V	96	Very high	93.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-48.6	173.1	174.8	0	0	0	0	110	F191 L390 N391 L392 K397 K398 Y399 L405 V441	F191-V395 HydrophobicContact CE1-CG1 4.46Å; F191-V395 HydrophobicContact CZ-CG1 4Å; L390-V395 HydrophobicContact CB-CG2 4.04Å; L390-V395 HydrophobicContact CD1-CG2 4.25Å; N391-V395 WeakPolarHBondContact O-CG2 3.4Å; N391-V395 PolarHBondContact O-N 2.98Å; L392-V395 HydrophobicContact CD2-CB 4.44Å; L392-V395 HydrophobicContact CD2-CG2 4.42Å; L392-V395 PolarHBondContact O-N 3.05Å; V395-K397 PolarHBondContact O-N 3.37Å; V395-K398 PolarHBondContact O-N 3.45Å; V395-Y399 HydrophobicContact CB-CD2 4.46Å; V395-Y399 HydrophobicContact CG1-CD2 3.93Å; V395-Y399 WeakPolarHBondContact O-CB 3.44Å; V395-Y399 WeakPolarHBondContact O-CD2 3.3Å; V395-Y399 PolarHBondContact O-N 2.93Å; V395-L405 HydrophobicContact CG1-CD1 4.13Å; V395-L405 HydrophobicContact CG1-CD2 4.18Å; V395-V441 HydrophobicContact CG2-CG2 3.57Å
396	L	95.4	Very high	93.2	Very high	12 Å²	12	51 Å²	51	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-40.8	179.8	-173.4	66.9	0	0	0	112.1	L392 R393 E394 K398 G400 R401 L405 E499	L392-L396 WeakPolarHBondContact O-CB 3.48Å; L392-L396 PolarHBondContact O-N 2.98Å; R393-L396 PolarHBondContact O-N 3.15Å; E394-L396 VanDerWaalsContact C-N 3.33Å; E394-L396 PolarHBondContact O-N 3.12Å; L396-K398 PolarHBondContact O-N 3.38Å; L396-G400 CarbonylContact O-C 3.59Å; L396-G400 VanDerWaalsContact O-CA 3.3Å; L396-G400 WeakPolarHBondContact O-CA 3.25Å; L396-G400 PolarHBondContact O-N 3.08Å; L396-R401 PolarHBondContact O-N 2.98Å; L396-L405 HydrophobicContact CD1-CG 4.42Å; L396-E499 HydrophobicContact CD2-CG 3.88Å
397	K	95	Very high	93.1	Very high	143 Å²	143	49.9 Å²	49.9	62%	0.622	23%	0.234	S	C	*	.	H	α-helix	trans	-62.8	-39	175.1	-76.3	174.3	-179.6	174.5	0	112.8	R393 E394 V395	R393-K397 HydrophobicContact CG-CD 4.36Å; R393-K397 WeakPolarHBondContact O-CG 3.33Å; R393-K397 PolarHBondContact O-N 3.4Å; E394-K397 PolarHBondContact O-N 3.35Å; V395-K397 PolarHBondContact O-N 3.37Å
398	K	92.9	Very high	93	Very high	127 Å²	127	48.4 Å²	48.4	55%	0.552	23%	0.229	S	C	*	.	H	α-helix	trans	-80.3	-41.1	-177.4	-74.1	179	-179.5	177	0	113.2	L390 E394 V395 L396	L390-K398 HydrophobicContact CD1-CD 4.09Å; E394-K398 WeakPolarHBondContact O-CB 3.45Å; E394-K398 WeakPolarHBondContact O-CG 3.3Å; E394-K398 PolarHBondContact O-N 2.99Å; V395-K398 PolarHBondContact O-N 3.45Å; L396-K398 PolarHBondContact O-N 3.38Å
399	Y	89.8	Confident	92.9	Very high	59 Å²	59	47.7 Å²	47.7	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-117.3	-14.5	-166	-59.9	-68.2	0	0	0	114.5	F191 V195 V395 K445	F191-Y399 HydrophobicContact CE1-CD2 4.18Å; F191-Y399 HydrophobicContact CE1-CG 4.22Å; V195-Y399 HydrophobicContact CG1-CD1 3.73Å; V195-Y399 HydrophobicContact CG1-CG 4.18Å; V395-Y399 HydrophobicContact CB-CD2 4.46Å; V395-Y399 HydrophobicContact CG1-CD2 3.93Å; V395-Y399 WeakPolarHBondContact O-CB 3.44Å; V395-Y399 WeakPolarHBondContact O-CD2 3.3Å; V395-Y399 PolarHBondContact O-N 2.93Å; Y399-K445 HydrophobicContact CE2-CD 4.17Å; Y399-K445 WeakPolarHBondContact OH-CE 3.4Å; Y399-K445 PolarHBondContact OH-NZ 2.96Å
400	G	84	Confident	93	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	21%	0.207	C	C	.	.			trans	-138	22.8	-170	0	0	0	0	0	114.7	L396 N402 I403 G404	L396-G400 CarbonylContact O-C 3.59Å; L396-G400 VanDerWaalsContact O-CA 3.3Å; L396-G400 WeakPolarHBondContact O-CA 3.25Å; L396-G400 PolarHBondContact O-N 3.08Å; G400-N402 PolarHBondContact O-N 3.28Å; G400-N402 VanDerWaalsContact O-N 3.08Å; G400-I403 PolarHBondContact O-N 2.99Å; G400-I403 VanDerWaalsContact O-N 3.14Å; G400-G404 WeakPolarHBondContact O-CA 3.38Å; G400-G404 PolarHBondContact O-N 2.79Å
401	R	84.1	Confident	93.1	Very high	193 Å²	193	47.3 Å²	47.3	73%	0.728	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	118.1	-175.2	-169.6	174.3	-174.7	171	0.1	110.6	L396 I403	L396-R401 PolarHBondContact O-N 2.98Å; R401-I403 PolarHBondContact O-N 3.45Å; R401-I403 VanDerWaalsContact O-N 3.08Å
402	N	81.8	Confident	93.1	Very high	118 Å²	118	47 Å²	47	63%	0.631	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	6.7	-178.9	-54.5	-24.7	0	0	0	116.2	G400	G400-N402 PolarHBondContact O-N 3.28Å; G400-N402 VanDerWaalsContact O-N 3.08Å
403	I	89.5	Confident	93.1	Very high	85 Å²	85	47.1 Å²	47.1	44%	0.436	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-31.1	-177.2	-59.3	170.1	0	0	0	110.8	I202 G400 R401 T502	I202-I403 HydrophobicContact CD1-CD1 4Å; G400-I403 PolarHBondContact O-N 2.99Å; G400-I403 VanDerWaalsContact O-N 3.14Å; R401-I403 PolarHBondContact O-N 3.45Å; R401-I403 VanDerWaalsContact O-N 3.08Å; I403-T502 CarbonylContact C-O 3.46Å
404	G	93.2	Very high	93.2	Very high	5 Å²	5	45.5 Å²	45.5	5%	0.052	21%	0.209	C	C	.	.			trans	78.8	-178.2	-173.3	0	0	0	0	0	114.2	G400 L500 H501 T502 G503	G400-G404 WeakPolarHBondContact O-CA 3.38Å; G400-G404 PolarHBondContact O-N 2.79Å; G404-L500 CarbonylContact C-O 3.58Å; G404-L500 VanDerWaalsContact CA-O 3.3Å; G404-L500 WeakPolarHBondContact CA-O 3.49Å; G404-H501 WeakPolarHBondContact CA-O 3.34Å; G404-T502 PolarHBondContact N-O 3.34Å; G404-G503 VanDerWaalsContact CA-N 3.35Å
405	L	94.5	Very high	93.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	20%	0.203	C	C	.	.			trans	-90.9	162	-177.5	-54.6	-177.9	0	0	0	111.1	F191 V395 L396 I410 Y413 L500	F191-L405 HydrophobicContact CZ-CD2 4.15Å; V395-L405 HydrophobicContact CG1-CD1 4.13Å; V395-L405 HydrophobicContact CG1-CD2 4.18Å; L396-L405 HydrophobicContact CD1-CG 4.42Å; L405-I410 HydrophobicContact CB-CD1 3.98Å; L405-I410 HydrophobicContact CB-CG1 4.48Å; L405-Y413 HydrophobicContact CD1-CD2 4.47Å; L405-Y413 HydrophobicContact CD1-CE2 3.87Å; L405-L500 HydrophobicContact CD1-CB 4.41Å; L405-L500 HydrophobicContact CD1-CD2 4.42Å; L405-L500 PolarHBondContact N-O 3.36Å
406	H	93.4	Very high	93.4	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.065	21%	0.205	C	C	.	.			trans	-67.4	142.8	178	-171.1	-109.2	0	0	0	112.2	F194 A408 A409 I410	F194-H406 HydrophobicContact CD1-CB 3.95Å; F194-H406 AromaticContact CD1-CG 3.85Å; F194-H406 HydrophobicContact CE1-CB 3.64Å; F194-H406 AromaticContact CE1-CD2 3.23Å; F194-H406 WeakPolarHBondContact CE1-CD2 3.33Å; F194-H406 AromaticContact CE1-CE1 3.53Å; F194-H406 AromaticContact CE1-CG 3.09Å; F194-H406 AromaticContact CE1-ND1 3.29Å; F194-H406 VanDerWaalsContact CE1-ND1 3.29Å; F194-H406 WeakPolarHBondContact CE1-ND1 3.38Å; F194-H406 AromaticContact CE1-NE2 3.53Å; F194-H406 AromaticContact CZ-CD2 3.63Å; F194-H406 AromaticContact CZ-CE1 3.25Å; F194-H406 WeakPolarHBondContact CZ-CE1 3.19Å; F194-H406 AromaticContact CZ-CG 3.71Å; F194-H406 AromaticContact CZ-ND1 3.49Å; F194-H406 WeakPolarHBondContact CZ-ND1 3.17Å; F194-H406 AromaticContact CZ-NE2 3.36Å; F194-H406 WeakPolarHBondContact CZ-NE2 3.29Å; H406-A408 VanDerWaalsContact ND1-CB 3.33Å; H406-A408 WeakPolarHBondContact ND1-CB 3.24Å; H406-A408 PolarHBondContact ND1-N 3.39Å; H406-A408 PolarHBondContact O-N 2.93Å; H406-A408 VanDerWaalsContact O-N 3.08Å; H406-A409 WeakPolarHBondContact O-CA 3.45Å; H406-A409 WeakPolarHBondContact O-CB 3.47Å; H406-A409 PolarHBondContact O-N 3.28Å; H406-I410 PolarHBondContact O-N 3.32Å
407	I	94.9	Very high	93.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-58.3	-28.2	-176.3	-167.5	65.1	0	0	0	113.2	I410 R411 I587 K590 V591 F594 F620 M625	I407-I410 HydrophobicContact CD1-CB 4.28Å; I407-I410 HydrophobicContact CD1-CG2 4.38Å; I407-I410 PolarHBondContact O-N 3.18Å; I407-R411 WeakPolarHBondContact O-CB 3.37Å; I407-R411 PolarHBondContact O-N 2.9Å; I407-I587 HydrophobicContact CG2-CG2 4.07Å; I407-K590 HydrophobicContact CG1-CB 4.21Å; I407-K590 HydrophobicContact CG1-CG 3.69Å; I407-K590 HydrophobicContact CG2-CG 4.38Å; I407-V591 HydrophobicContact CB-CG2 4.46Å; I407-V591 HydrophobicContact CD1-CG2 4.13Å; I407-V591 HydrophobicContact CG1-CG2 4.12Å; I407-F594 HydrophobicContact CD1-CB 4.01Å; I407-F594 HydrophobicContact CD1-CD1 4.05Å; I407-F594 HydrophobicContact CD1-CG 4.09Å; I407-F620 HydrophobicContact CD1-CE2 3.8Å; I407-F620 HydrophobicContact CD1-CZ 4.01Å; I407-F620 HydrophobicContact CG1-CE2 4.08Å; I407-M625 HydrophobicContact CG2-CE 3.61Å
408	A	93.8	Very high	93.8	Very high	18 Å²	18	37.7 Å²	37.7	15%	0.149	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-41.5	173.6	0	0	0	0	0	112.4	F189 H406 R411 S412 M625	F189-A408 HydrophobicContact CE2-CB 4.19Å; F189-A408 HydrophobicContact CZ-CB 4.37Å; H406-A408 VanDerWaalsContact ND1-CB 3.33Å; H406-A408 WeakPolarHBondContact ND1-CB 3.24Å; H406-A408 PolarHBondContact ND1-N 3.39Å; H406-A408 PolarHBondContact O-N 2.93Å; H406-A408 VanDerWaalsContact O-N 3.08Å; A408-R411 PolarHBondContact O-N 3.44Å; A408-S412 PolarHBondContact O-N 3.45Å; A408-S412 VanDerWaalsContact O-N 3.15Å; A408-M625 HydrophobicContact CB-CE 4.13Å
409	A	95.2	Very high	94	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-42.4	174.4	0	0	0	0	0	110.7	F189 F191 H406 R411 S412 Y413	F189-A409 HydrophobicContact CE1-CB 4.41Å; F191-A409 HydrophobicContact CD2-CB 4.07Å; F191-A409 HydrophobicContact CE2-CB 3.79Å; H406-A409 WeakPolarHBondContact O-CA 3.45Å; H406-A409 WeakPolarHBondContact O-CB 3.47Å; H406-A409 PolarHBondContact O-N 3.28Å; A409-R411 VanDerWaalsContact C-N 3.3Å; A409-R411 PolarHBondContact O-N 3.38Å; A409-S412 PolarHBondContact O-N 2.92Å; A409-S412 VanDerWaalsContact O-N 3.17Å; A409-Y413 HydrophobicContact CB-CE2 4.47Å; A409-Y413 WeakPolarHBondContact O-CB 3.48Å; A409-Y413 VanDerWaalsContact O-CG 3.3Å; A409-Y413 PolarHBondContact O-N 3.14Å
410	I	97.3	Very high	94.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-42.8	174.8	-58.4	-58.8	0	0	0	111.4	L405 H406 I407 Y413 T414 L500 H501 F594 F620	L405-I410 HydrophobicContact CB-CD1 3.98Å; L405-I410 HydrophobicContact CB-CG1 4.48Å; H406-I410 PolarHBondContact O-N 3.32Å; I407-I410 HydrophobicContact CD1-CB 4.28Å; I407-I410 HydrophobicContact CD1-CG2 4.38Å; I407-I410 PolarHBondContact O-N 3.18Å; I410-Y413 PolarHBondContact O-N 3.2Å; I410-T414 VanDerWaalsContact O-CB 3.32Å; I410-T414 WeakPolarHBondContact O-CB 3.43Å; I410-T414 PolarHBondContact O-N 2.95Å; I410-T414 PolarHBondContact O-OG1 3.27Å; I410-L500 HydrophobicContact CD1-CB 3.5Å; I410-H501 HydrophobicContact CD1-CB 4.05Å; I410-H501 HydrophobicContact CG1-CB 3.93Å; I410-H501 HydrophobicContact CG2-CB 4.44Å; I410-F594 HydrophobicContact CG2-CD2 4.24Å; I410-F594 HydrophobicContact CG2-CE1 4.06Å; I410-F594 HydrophobicContact CG2-CE2 3.73Å; I410-F594 HydrophobicContact CG2-CZ 3.63Å; I410-F620 HydrophobicContact CG2-CZ 4.16Å
411	R	97.3	Very high	95.1	Very high	69 Å²	69	30.9 Å²	30.9	26%	0.26	15%	0.148	S	C	.	.	H	α-helix	trans	-58.5	-50.6	174.8	-174.6	-165.3	66.5	77.3	4.5	111.5	I407 A408 A409 T414 Q415 F620 I621	I407-R411 WeakPolarHBondContact O-CB 3.37Å; I407-R411 PolarHBondContact O-N 2.9Å; A408-R411 PolarHBondContact O-N 3.44Å; A409-R411 VanDerWaalsContact C-N 3.3Å; A409-R411 PolarHBondContact O-N 3.38Å; R411-T414 PolarHBondContact O-N 3.02Å; R411-Q415 PolarHBondContact O-N 3.3Å; R411-Q415 VanDerWaalsContact O-N 3.13Å; R411-F620 HydrophobicContact CB-CE1 4.15Å; R411-F620 HydrophobicContact CB-CE2 4.26Å; R411-F620 HydrophobicContact CB-CZ 3.78Å; R411-F620 WeakPolarHBondContact CD-O 3.46Å; R411-F620 HydrophobicContact CG-CE1 4.35Å; R411-F620 HydrophobicContact CG-CZ 4.31Å; R411-F620 WeakPolarHBondContact CG-O 3.34Å; R411-I621 HydrophobicContact CG-CD1 4.49Å
412	S	96.8	Very high	95.8	Very high	27 Å²	27	23.6 Å²	23.6	19%	0.189	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-51.2	178.2	-177.7	0	0	0	0	111.1	A408 A409 T414 Q415 Q416	A408-S412 PolarHBondContact O-N 3.45Å; A408-S412 VanDerWaalsContact O-N 3.15Å; A409-S412 PolarHBondContact O-N 2.92Å; A409-S412 VanDerWaalsContact O-N 3.17Å; S412-T414 VanDerWaalsContact C-N 3.31Å; S412-T414 PolarHBondContact O-N 2.7Å; S412-Q415 WeakPolarHBondContact O-CB 3.39Å; S412-Q415 PolarHBondContact O-N 2.99Å; S412-Q416 WeakPolarHBondContact O-CG 3.34Å; S412-Q416 PolarHBondContact O-N 3.3Å; S412-Q416 VanDerWaalsContact O-N 3.08Å; S412-Q416 PolarHBondContact OG-NE2 3.46Å
413	Y	98.4	Very high	96.5	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-36.6	-180	-65.8	-16.1	0	0	0	113	L392 L405 A409 I410 Q416 L417 K445 L448 L500	L392-Y413 HydrophobicContact CD2-CD2 4.28Å; L392-Y413 HydrophobicContact CD2-CE2 3.75Å; L405-Y413 HydrophobicContact CD1-CD2 4.47Å; L405-Y413 HydrophobicContact CD1-CE2 3.87Å; A409-Y413 HydrophobicContact CB-CE2 4.47Å; A409-Y413 WeakPolarHBondContact O-CB 3.48Å; A409-Y413 VanDerWaalsContact O-CG 3.3Å; A409-Y413 PolarHBondContact O-N 3.14Å; I410-Y413 PolarHBondContact O-N 3.2Å; Y413-Q416 PolarHBondContact O-N 2.92Å; Y413-L417 WeakPolarHBondContact O-CB 3.35Å; Y413-L417 WeakPolarHBondContact O-CG 3.41Å; Y413-L417 PolarHBondContact O-N 2.59Å; Y413-K445 WeakPolarHBondContact CE1-O 3.44Å; Y413-K445 PolarHBondContact OH-O 3.4Å; Y413-L448 HydrophobicContact CD1-CD2 3.58Å; Y413-L448 HydrophobicContact CD1-CG 4.29Å; Y413-L448 HydrophobicContact CE1-CD2 4.41Å; Y413-L448 HydrophobicContact CG-CD2 3.65Å; Y413-L500 HydrophobicContact CD2-CD1 4.5Å
414	T	98.5	Very high	96.9	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-47.2	175.2	-56.9	0	0	0	0	110.7	I410 R411 S412 Q416 L417 L418 L497 L597 F620 I621	I410-T414 VanDerWaalsContact O-CB 3.32Å; I410-T414 WeakPolarHBondContact O-CB 3.43Å; I410-T414 PolarHBondContact O-N 2.95Å; I410-T414 PolarHBondContact O-OG1 3.27Å; R411-T414 PolarHBondContact O-N 3.02Å; S412-T414 VanDerWaalsContact C-N 3.31Å; S412-T414 PolarHBondContact O-N 2.7Å; T414-Q416 PolarHBondContact O-N 3.04Å; T414-L417 PolarHBondContact O-N 2.94Å; T414-L418 HydrophobicContact CG2-CD1 3.98Å; T414-L418 HydrophobicContact CG2-CG 4.35Å; T414-L418 WeakPolarHBondContact O-CB 3.32Å; T414-L418 VanDerWaalsContact O-CG 3.23Å; T414-L418 WeakPolarHBondContact O-CG 3.38Å; T414-L418 PolarHBondContact O-N 2.98Å; T414-L497 HydrophobicContact CG2-CD1 3.7Å; T414-L497 WeakPolarHBondContact OG1-CD1 3.35Å; T414-L497 VanDerWaalsContact OG1-CD2 3.3Å; T414-L497 WeakPolarHBondContact OG1-CD2 3.46Å; T414-L597 HydrophobicContact CG2-CD2 3.77Å; T414-F620 HydrophobicContact CG2-CD1 4.41Å; T414-F620 HydrophobicContact CG2-CE1 4.24Å; T414-I621 HydrophobicContact CG2-CD1 3.74Å
415	Q	98.1	Very high	97.1	Very high	46 Å²	46	19.2 Å²	19.2	22%	0.215	9%	0.09	C	C	.	.	H	α-helix	trans	-58.9	-48.5	178	-173.3	177.6	16.2	0	0	111.3	R411 S412 L417 L418 L419 I621	R411-Q415 PolarHBondContact O-N 3.3Å; R411-Q415 VanDerWaalsContact O-N 3.13Å; S412-Q415 WeakPolarHBondContact O-CB 3.39Å; S412-Q415 PolarHBondContact O-N 2.99Å; Q415-L417 PolarHBondContact O-N 2.95Å; Q415-L418 PolarHBondContact O-N 3.48Å; Q415-L419 WeakPolarHBondContact O-CG 3.36Å; Q415-L419 PolarHBondContact O-N 3.15Å; Q415-I621 HydrophobicContact CB-CD1 4.26Å; Q415-I621 HydrophobicContact CB-CG2 4.17Å; Q415-I621 HydrophobicContact CG-CG2 4Å
416	Q	98.4	Very high	97.1	Very high	10 Å²	10	24.2 Å²	24.2	5%	0.047	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-43.6	-178.5	-64	-176.8	52.3	0	0	112.2	H367 S412 Y413 T414 L419 A420 I446 L448	H367-Q416 HydrophobicContact CB-CB 4.4Å; H367-Q416 WeakPolarHBondContact CE1-CG 3.47Å; H367-Q416 PolarHBondContact CE1-OE1 3.25Å; H367-Q416 PolarHBondContact ND1-OE1 2.72Å; H367-Q416 VanDerWaalsContact ND1-OE1 3.09Å; S412-Q416 WeakPolarHBondContact O-CG 3.34Å; S412-Q416 PolarHBondContact O-N 3.3Å; S412-Q416 VanDerWaalsContact O-N 3.08Å; S412-Q416 PolarHBondContact OG-NE2 3.46Å; Y413-Q416 PolarHBondContact O-N 2.92Å; T414-Q416 PolarHBondContact O-N 3.04Å; Q416-L419 PolarHBondContact O-N 3.35Å; Q416-A420 PolarHBondContact O-N 3.49Å; Q416-I446 PolarHBondContact NE2-O 3.5Å; Q416-L448 HydrophobicContact CB-CD1 3.72Å; Q416-L448 HydrophobicContact CB-CD2 4.25Å; Q416-L448 HydrophobicContact CB-CG 3.76Å
417	L	98.7	Very high	97.3	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-65.4	-41.2	176.1	-72.5	172.4	0	0	0	112	Y413 T414 Q415 L419 A420 L421 I439 L448 L497	Y413-L417 WeakPolarHBondContact O-CB 3.35Å; Y413-L417 WeakPolarHBondContact O-CG 3.41Å; Y413-L417 PolarHBondContact O-N 2.59Å; T414-L417 PolarHBondContact O-N 2.94Å; Q415-L417 PolarHBondContact O-N 2.95Å; L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 3.34Å; L417-A420 WeakPolarHBondContact O-CB 3.44Å; L417-A420 PolarHBondContact O-N 3.22Å; L417-A420 VanDerWaalsContact O-N 3.17Å; L417-L421 WeakPolarHBondContact O-CG 3.16Å; L417-L421 PolarHBondContact O-N 3.42Å; L417-I439 HydrophobicContact CD1-CD1 4.17Å; L417-I439 HydrophobicContact CD2-CD1 3.9Å; L417-I439 HydrophobicContact CD2-CG1 4.18Å; L417-I439 HydrophobicContact CD2-CG2 4.28Å; L417-L448 HydrophobicContact CD1-CD2 4.46Å; L417-L448 HydrophobicContact CD2-CD1 3.8Å; L417-L448 HydrophobicContact CD2-CD2 4.36Å; L417-L448 HydrophobicContact CG-CD1 4.03Å; L417-L448 HydrophobicContact CG-CD2 3.98Å; L417-L497 HydrophobicContact CD1-CD2 4.03Å; L417-L497 HydrophobicContact CD1-CG 4.26Å
418	L	98.6	Very high	97.3	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-35.5	176.4	-71.3	175.4	0	0	0	112.1	T414 Q415 L421 K422 L490 L612 A615 L616	T414-L418 HydrophobicContact CG2-CD1 3.98Å; T414-L418 HydrophobicContact CG2-CG 4.35Å; T414-L418 WeakPolarHBondContact O-CB 3.32Å; T414-L418 VanDerWaalsContact O-CG 3.23Å; T414-L418 WeakPolarHBondContact O-CG 3.38Å; T414-L418 PolarHBondContact O-N 2.98Å; Q415-L418 PolarHBondContact O-N 3.48Å; L418-L421 HydrophobicContact CD2-CD1 4.42Å; L418-L421 PolarHBondContact O-N 2.92Å; L418-K422 WeakPolarHBondContact O-CB 3.44Å; L418-K422 PolarHBondContact O-N 3.02Å; L418-L490 HydrophobicContact CD2-CD1 3.84Å; L418-L612 HydrophobicContact CD2-CD2 3.99Å; L418-A615 HydrophobicContact CD1-CB 3.93Å; L418-A615 HydrophobicContact CD2-CB 4.02Å; L418-L616 HydrophobicContact CB-CD2 3.61Å; L418-L616 HydrophobicContact CB-CG 4.01Å; L418-L616 HydrophobicContact CD1-CD2 4.2Å; L418-L616 HydrophobicContact CD1-CG 4.4Å
419	L	98.4	Very high	97.5	Very high	35 Å²	35	24.2 Å²	24.2	18%	0.183	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-43.8	172.3	-69	174.2	0	0	0	111.6	F366 Q415 Q416 L417 L421 K422 L423 L616	F366-L419 HydrophobicContact CD1-CB 4.14Å; F366-L419 HydrophobicContact CD1-CD2 4.34Å; F366-L419 WeakPolarHBondContact CD1-O 3.37Å; F366-L419 HydrophobicContact CE1-CD2 4.34Å; Q415-L419 WeakPolarHBondContact O-CG 3.36Å; Q415-L419 PolarHBondContact O-N 3.15Å; Q416-L419 PolarHBondContact O-N 3.35Å; L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 3.34Å; L419-L421 PolarHBondContact O-N 3.39Å; L419-K422 WeakPolarHBondContact O-CB 3.46Å; L419-K422 PolarHBondContact O-N 2.55Å; L419-K422 VanDerWaalsContact O-N 3.11Å; L419-L423 PolarHBondContact O-N 3.02Å; L419-L423 VanDerWaalsContact O-N 3.07Å; L419-L616 HydrophobicContact CD2-CD1 4.26Å; L419-L616 HydrophobicContact CD2-CD2 4.12Å; L419-L616 HydrophobicContact CG-CD2 4.29Å
420	A	98.5	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-46.1	173.9	0	0	0	0	0	112.5	F366 H367 Q416 L417 K422 L423 M424 L450	F366-A420 WeakPolarHBondContact O-CA 3.32Å; F366-A420 WeakPolarHBondContact O-CB 3.48Å; F366-A420 PolarHBondContact O-N 2.99Å; H367-A420 HydrophobicContact CB-CB 4.3Å; Q416-A420 PolarHBondContact O-N 3.49Å; L417-A420 WeakPolarHBondContact O-CB 3.44Å; L417-A420 PolarHBondContact O-N 3.22Å; L417-A420 VanDerWaalsContact O-N 3.17Å; A420-K422 VanDerWaalsContact C-N 3.25Å; A420-K422 PolarHBondContact O-N 2.91Å; A420-L423 PolarHBondContact O-N 3.12Å; A420-M424 WeakPolarHBondContact O-CG 3.44Å; A420-M424 PolarHBondContact O-N 3.35Å; A420-L450 HydrophobicContact CB-CB 4.37Å; A420-L450 HydrophobicContact CB-CD2 4.4Å
421	L	98.4	Very high	97.5	Very high	10 Å²	10	24 Å²	24	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-37.2	174.8	-64.8	-174.8	0	0	0	112	L417 L418 L419 M424 R425 I434 D489 L490 C493 L612	L417-L421 WeakPolarHBondContact O-CG 3.16Å; L417-L421 PolarHBondContact O-N 3.42Å; L418-L421 HydrophobicContact CD2-CD1 4.42Å; L418-L421 PolarHBondContact O-N 2.92Å; L419-L421 PolarHBondContact O-N 3.39Å; L421-M424 HydrophobicContact CD2-CE 3.4Å; L421-M424 HydrophobicContact CG-CE 4.46Å; L421-M424 PolarHBondContact O-N 2.91Å; L421-R425 WeakPolarHBondContact O-CB 3.37Å; L421-R425 PolarHBondContact O-N 3.33Å; L421-I434 HydrophobicContact CD2-CD1 3.59Å; L421-D489 HydrophobicContact CD2-CB 3.74Å; L421-L490 HydrophobicContact CD1-CB 4.25Å; L421-L490 HydrophobicContact CD1-CD1 3.96Å; L421-C493 HydrophobicContact CD1-CB 4.04Å; L421-L612 HydrophobicContact CB-CD1 3.88Å; L421-L612 HydrophobicContact CB-CD2 3.71Å; L421-L612 HydrophobicContact CB-CG 4.48Å; L421-L612 HydrophobicContact CD1-CD2 3.8Å; L421-L612 HydrophobicContact CG-CD2 4.43Å
422	K	97.8	Very high	97.5	Very high	40 Å²	40	20.9 Å²	20.9	17%	0.174	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-43.7	178.6	-175.9	172.3	177.8	168.5	0	111.7	M180 L418 L419 A420 K426 N613 L616	M180-K422 PolarHBondContact SD-NZ 2.82Å; L418-K422 WeakPolarHBondContact O-CB 3.44Å; L418-K422 PolarHBondContact O-N 3.02Å; L419-K422 WeakPolarHBondContact O-CB 3.46Å; L419-K422 PolarHBondContact O-N 2.55Å; L419-K422 VanDerWaalsContact O-N 3.11Å; A420-K422 VanDerWaalsContact C-N 3.25Å; A420-K422 PolarHBondContact O-N 2.91Å; K422-K426 PolarHBondContact O-N 3.32Å; K422-K426 VanDerWaalsContact O-N 3.08Å; K422-N613 PolarHBondContact NZ-OD1 3.22Å; K422-L616 HydrophobicContact CD-CD1 3.9Å
423	L	98	Very high	97.5	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-50.4	174.3	177.1	67	0	0	0	111.1	L357 A360 D361 F366 C368 L419 A420 R425 K426 C427	L357-L423 HydrophobicContact CB-CD2 4.48Å; L357-L423 HydrophobicContact CD2-CD2 3.96Å; L357-L423 HydrophobicContact CD2-CG 3.97Å; A360-L423 HydrophobicContact CB-CD1 3.8Å; D361-L423 HydrophobicContact CB-CD1 4.16Å; D361-L423 HydrophobicContact CB-CD2 3.8Å; F366-L423 HydrophobicContact CB-CB 3.62Å; F366-L423 HydrophobicContact CB-CD2 3.82Å; F366-L423 HydrophobicContact CB-CG 4.22Å; F366-L423 HydrophobicContact CD1-CB 4.22Å; F366-L423 HydrophobicContact CG-CB 3.95Å; C368-L423 HydrophobicContact CB-CD2 4.38Å; L419-L423 PolarHBondContact O-N 3.02Å; L419-L423 VanDerWaalsContact O-N 3.07Å; A420-L423 PolarHBondContact O-N 3.12Å; L423-R425 VanDerWaalsContact C-N 3.32Å; L423-R425 PolarHBondContact O-N 3.26Å; L423-K426 WeakPolarHBondContact O-CB 3.31Å; L423-K426 PolarHBondContact O-N 3.35Å; L423-K426 VanDerWaalsContact O-N 3.08Å; L423-C427 PolarHBondContact O-N 3.07Å; L423-C427 PolarHBondContact O-SG 3.46Å
424	M	97.6	Very high	97.5	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-57.7	-45	-179.5	-70.8	-167.8	-63	0	0	111.9	L357 A420 L421 K426 C427 G428 I429 H431 I434 L450 F453	L357-M424 HydrophobicContact CD2-CG 4.13Å; A420-M424 WeakPolarHBondContact O-CG 3.44Å; A420-M424 PolarHBondContact O-N 3.35Å; L421-M424 HydrophobicContact CD2-CE 3.4Å; L421-M424 HydrophobicContact CG-CE 4.46Å; L421-M424 PolarHBondContact O-N 2.91Å; M424-K426 PolarHBondContact O-N 3.1Å; M424-C427 CarbonylContact O-C 3.24Å; M424-C427 PolarHBondContact O-N 3.25Å; M424-C427 VanDerWaalsContact O-N 3.15Å; M424-G428 PolarHBondContact O-N 3.32Å; M424-I429 HydrophobicContact CB-CB 4.33Å; M424-I429 PolarHBondContact O-N 3.26Å; M424-H431 HydrophobicContact CE-CB 4.15Å; M424-H431 HydrophobicContact SD-CB 3.87Å; M424-I434 HydrophobicContact CE-CD1 4.35Å; M424-L450 HydrophobicContact CE-CD2 3.45Å; M424-L450 VanDerWaalsContact CE-CD2 3.45Å; M424-L450 HydrophobicContact SD-CD2 3.83Å; M424-F453 HydrophobicContact CG-CE1 4.44Å; M424-F453 HydrophobicContact SD-CE1 3.68Å; M424-F453 HydrophobicContact SD-CZ 4.44Å
425	R	96	Very high	97.4	Very high	109 Å²	109	21.9 Å²	21.9	41%	0.411	10%	0.103	S	C	.	.	H	α-helix	trans	-60.5	-42.8	175.6	-176.7	173.9	179.8	155	-1.1	112.2	L421 L423 C427 G428 Y486 L612	L421-R425 WeakPolarHBondContact O-CB 3.37Å; L421-R425 PolarHBondContact O-N 3.33Å; L423-R425 VanDerWaalsContact C-N 3.32Å; L423-R425 PolarHBondContact O-N 3.26Å; R425-C427 VanDerWaalsContact C-N 3.28Å; R425-C427 PolarHBondContact O-N 3.3Å; R425-G428 PolarHBondContact O-N 2.84Å; R425-G428 VanDerWaalsContact O-N 3.1Å; R425-Y486 HydrophobicContact CG-CD2 3.94Å; R425-Y486 HydrophobicContact CG-CG 4.3Å; R425-L612 HydrophobicContact CB-CD1 4.2Å
426	K	95.8	Very high	97.4	Very high	107 Å²	107	19.7 Å²	19.7	47%	0.465	9%	0.093	S	C	.	.	H	α-helix	trans	-61	-39.2	175.8	-177.5	-178.7	177.5	-176.4	0	111.5	L177 K422 L423 M424 G428	L177-K426 HydrophobicContact CD1-CD 4.01Å; K422-K426 PolarHBondContact O-N 3.32Å; K422-K426 VanDerWaalsContact O-N 3.08Å; L423-K426 WeakPolarHBondContact O-CB 3.31Å; L423-K426 PolarHBondContact O-N 3.35Å; L423-K426 VanDerWaalsContact O-N 3.08Å; M424-K426 PolarHBondContact O-N 3.1Å; K426-G428 PolarHBondContact O-N 3.43Å
427	C	96.5	Very high	97.3	Very high	13 Å²	13	22 Å²	22	9%	0.088	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.8	177.2	-65.1	0	0	0	0	113.7	K356 L357 A360 L423 M424 R425 I429	K356-C427 HydrophobicContact CD-CB 4.47Å; K356-C427 VanDerWaalsContact CE-O 3.23Å; K356-C427 WeakPolarHBondContact CE-O 3.47Å; K356-C427 PolarHBondContact NZ-O 3.12Å; L357-C427 HydrophobicContact CD2-CB 4.25Å; A360-C427 WeakPolarHBondContact CB-SG 3.32Å; L423-C427 PolarHBondContact O-N 3.07Å; L423-C427 PolarHBondContact O-SG 3.46Å; M424-C427 CarbonylContact O-C 3.24Å; M424-C427 PolarHBondContact O-N 3.25Å; M424-C427 VanDerWaalsContact O-N 3.15Å; R425-C427 VanDerWaalsContact C-N 3.28Å; R425-C427 PolarHBondContact O-N 3.3Å; C427-I429 VanDerWaalsContact C-N 3.33Å; C427-I429 HydrophobicContact CB-CD1 3.59Å; C427-I429 HydrophobicContact CB-CG1 4.06Å
428	G	96	Very high	97.2	Very high	16 Å²	16	22.4 Å²	22.4	17%	0.165	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	32.1	-176.9	0	0	0	0	0	113.9	M424 R425 K426 Y486	M424-G428 PolarHBondContact O-N 3.32Å; R425-G428 PolarHBondContact O-N 2.84Å; R425-G428 VanDerWaalsContact O-N 3.1Å; K426-G428 PolarHBondContact O-N 3.43Å; G428-Y486 VanDerWaalsContact C-CE1 3.47Å; G428-Y486 WeakPolarHBondContact CA-OH 3.31Å; G428-Y486 PolarHBondContact O-OH 3.5Å
429	I	97.2	Very high	97.2	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	11%	0.106	C	C	.	.			trans	-105.4	130.8	-177.6	-66.1	161.1	0	0	0	109.3	V353 K356 L357 M424 C427 A456 Y486	V353-I429 HydrophobicContact CG1-CD1 3.71Å; V353-I429 HydrophobicContact CG1-CG1 4.18Å; V353-I429 HydrophobicContact CG1-CG2 3.89Å; K356-I429 HydrophobicContact CD-CD1 4.29Å; L357-I429 HydrophobicContact CD1-CD1 4.22Å; L357-I429 HydrophobicContact CD2-CD1 3.51Å; L357-I429 HydrophobicContact CG-CD1 3.61Å; M424-I429 HydrophobicContact CB-CB 4.33Å; M424-I429 PolarHBondContact O-N 3.26Å; C427-I429 VanDerWaalsContact C-N 3.33Å; C427-I429 HydrophobicContact CB-CD1 3.59Å; C427-I429 HydrophobicContact CB-CG1 4.06Å; I429-A456 HydrophobicContact CG2-CB 4.15Å; I429-Y486 WeakPolarHBondContact O-CD1 3.13Å
430	L	96.3	Very high	97.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-102	126.1	165.1	-177.8	71.8	0	0	0	108.5	A432 A456 S457 N462 L468 Y484 Y486 V488 D489	L430-A432 HydrophobicContact CD2-CB 4.18Å; L430-A432 HydrophobicContact CG-CB 4.19Å; L430-A456 CarbonylContact O-C 3.52Å; L430-A456 WeakPolarHBondContact O-CA 3.32Å; L430-S457 WeakPolarHBondContact CB-O 3.38Å; L430-S457 PolarHBondContact N-O 3.05Å; L430-S457 PolarHBondContact O-N 2.69Å; L430-N462 WeakPolarHBondContact CD2-ND2 3.44Å; L430-L468 HydrophobicContact CD2-CD2 4.22Å; L430-Y484 HydrophobicContact CD2-CD2 4.38Å; L430-Y484 HydrophobicContact CD2-CE2 4.01Å; L430-Y486 HydrophobicContact CB-CD1 4.28Å; L430-V488 HydrophobicContact CD1-CG2 3.27Å; L430-V488 HydrophobicContact CD2-CG2 4.14Å; L430-V488 HydrophobicContact CG-CG2 4.23Å; L430-D489 VanDerWaalsContact CD1-OD2 3.28Å; L430-D489 WeakPolarHBondContact CD1-OD2 3.49Å
431	H	97.2	Very high	97.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.			trans	-78.4	-44.2	179.3	-171.7	-55	0	0	0	112.2	M424 D433 I434 L450 S451 D452 F453 D489	M424-H431 HydrophobicContact CE-CB 4.15Å; M424-H431 HydrophobicContact SD-CB 3.87Å; H431-D433 PolarHBondContact ND1-N 3.44Å; H431-D433 PolarHBondContact O-N 2.93Å; H431-I434 HydrophobicContact CB-CD1 4.3Å; H431-I434 HydrophobicContact CB-CG1 3.99Å; H431-L450 VanDerWaalsContact CD2-CD2 3.43Å; H431-L450 WeakPolarHBondContact CD2-CD2 3.45Å; H431-S451 PolarHBondContact CE1-O 3.18Å; H431-S451 PolarHBondContact NE2-O 2.83Å; H431-D452 PolarHBondContact CE1-O 2.94Å; H431-F453 AromaticContact CD2-CD1 3.89Å; H431-F453 AromaticContact CD2-CE1 3.68Å; H431-D489 PolarHBondContact N-OD2 3.49Å
432	A	96	Very high	97.1	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	11%	0.114	C	C	.	.			trans	58.8	14.7	176.8	0	0	0	0	0	116.6	L430 L468 V469 D489	L430-A432 HydrophobicContact CD2-CB 4.18Å; L430-A432 HydrophobicContact CG-CB 4.19Å; A432-L468 HydrophobicContact CB-CD1 4.01Å; A432-L468 HydrophobicContact CB-CD2 4.44Å; A432-L468 HydrophobicContact CB-CG 4.09Å; A432-V469 HydrophobicContact CB-CG2 4.16Å; A432-V469 WeakPolarHBondContact O-CA 3.21Å; A432-V469 WeakPolarHBondContact O-CG2 3.35Å; A432-D489 PolarHBondContact N-OD1 3.02Å
433	D	96.2	Very high	96.9	Very high	16 Å²	16	28.5 Å²	28.5	9%	0.086	14%	0.137	C	C	.	.			trans	-152.3	40	174.1	-160.1	28.6	0	0	0	112.2	H431 K435 N438 S470	H431-D433 PolarHBondContact ND1-N 3.44Å; H431-D433 PolarHBondContact O-N 2.93Å; D433-K435 PolarHBondContact O-N 3.04Å; D433-K435 IonicContact OD1-NZ 3.46Å; D433-K435 PolarHBondContact OD1-NZ 2.84Å; D433-K435 WeakPolarHBondContact OD2-CE 3.43Å; D433-K435 IonicContact OD2-NZ 3.44Å; D433-K435 PolarHBondContact OD2-NZ 3.31Å; D433-N438 PolarHBondContact O-ND2 3.36Å; D433-N438 PolarHBondContact OD2-ND2 3.38Å; D433-S470 WeakPolarHBondContact OD1-CB 3.47Å; D433-S470 PolarHBondContact OD1-OG 3.39Å
434	I	98.5	Very high	96.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.163	C	C	.	.			trans	-72.9	118.6	175.4	-57.9	-177.3	0	0	0	109.1	L421 M424 H431 I439 L450 D489	L421-I434 HydrophobicContact CD2-CD1 3.59Å; M424-I434 HydrophobicContact CE-CD1 4.35Å; H431-I434 HydrophobicContact CB-CD1 4.3Å; H431-I434 HydrophobicContact CB-CG1 3.99Å; I434-I439 HydrophobicContact CG2-CD1 4.23Å; I434-L450 HydrophobicContact CD1-CD2 4.21Å; I434-L450 HydrophobicContact CG1-CD1 4.2Å; I434-L450 HydrophobicContact CG1-CD2 4.38Å; I434-L450 HydrophobicContact CG2-CD1 4.45Å; I434-D489 HydrophobicContact CD1-CB 3.64Å
435	K	97.8	Very high	96.6	Very high	35 Å²	35	33.6 Å²	33.6	15%	0.152	16%	0.164	C	C	.	.	S	Bend	trans	-158.3	162.9	177.6	60.9	-171.6	171	-147.8	0	109.5	D433 D437 N438 S470 Y473	D433-K435 PolarHBondContact O-N 3.04Å; D433-K435 IonicContact OD1-NZ 3.46Å; D433-K435 PolarHBondContact OD1-NZ 2.84Å; D433-K435 WeakPolarHBondContact OD2-CE 3.43Å; D433-K435 IonicContact OD2-NZ 3.44Å; D433-K435 PolarHBondContact OD2-NZ 3.31Å; K435-D437 HydrophobicContact CD-CB 4.3Å; K435-D437 HydrophobicContact CG-CB 4.12Å; K435-D437 PolarHBondContact O-N 2.9Å; K435-N438 WeakPolarHBondContact CE-ND2 3.36Å; K435-N438 HydrophobicContact CG-CB 4.2Å; K435-N438 PolarHBondContact O-N 2.66Å; K435-S470 PolarHBondContact NZ-OG 2.98Å; K435-Y473 HydrophobicContact CB-CD1 4.41Å; K435-Y473 HydrophobicContact CB-CD2 3.69Å; K435-Y473 HydrophobicContact CB-CE1 4.28Å; K435-Y473 HydrophobicContact CB-CE2 3.52Å; K435-Y473 HydrophobicContact CB-CG 4.15Å
436	P	98	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-53	-29.1	178.3	-26.3	31.4	0	0	0	115	L392 R393 N438 Y473 T496 E499	L392-P436 HydrophobicContact CB-CB 4.13Å; L392-P436 WeakPolarHBondContact CB-O 3.47Å; L392-P436 PolarHBondContact N-O 3.48Å; R393-P436 HydrophobicContact CB-CB 4.07Å; R393-P436 PolarHBondContact N-O 3.08Å; R393-P436 VanDerWaalsContact N-O 3.13Å; P436-N438 VanDerWaalsContact C-N 3.3Å; P436-N438 PolarHBondContact O-N 2.85Å; P436-Y473 WeakPolarHBondContact CD-OH 3.44Å; P436-Y473 HydrophobicContact CG-CE1 4.49Å; P436-T496 HydrophobicContact CG-CG2 3.98Å; P436-E499 WeakPolarHBondContact CG-OE2 3.32Å
437	D	96	Very high	96.6	Very high	58 Å²	58	28.8 Å²	28.8	31%	0.31	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-71	-25.8	-179.7	-47.2	-89.2	0	0	0	112.7	N391 R393 K435	N391-D437 WeakPolarHBondContact CB-O 3.47Å; R393-D437 WeakPolarHBondContact CB-OD1 3.25Å; R393-D437 VanDerWaalsContact CG-OD1 3.25Å; R393-D437 WeakPolarHBondContact CG-OD1 3.45Å; R393-D437 IonicContact CZ-OD1 2.82Å; R393-D437 IonicContact CZ-OD2 3.75Å; R393-D437 IonicContact NE-OD1 3.46Å; R393-D437 PolarHBondContact NE-OD1 3.02Å; R393-D437 IonicContact NE-OD2 3.31Å; R393-D437 PolarHBondContact NE-OD2 3.14Å; R393-D437 IonicContact NH2-OD1 3.74Å; R393-D437 IonicContact NH2-OD2 3.52Å; R393-D437 PolarHBondContact NH2-OD2 2.85Å; K435-D437 HydrophobicContact CD-CB 4.3Å; K435-D437 HydrophobicContact CG-CB 4.12Å; K435-D437 PolarHBondContact O-N 2.9Å
438	N	97.2	Very high	96.7	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.07	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-104.6	9.8	-176.2	-70.9	2.6	0	0	0	112.9	D433 K435 P436 S451 D452	D433-N438 PolarHBondContact O-ND2 3.36Å; D433-N438 PolarHBondContact OD2-ND2 3.38Å; K435-N438 WeakPolarHBondContact CE-ND2 3.36Å; K435-N438 HydrophobicContact CG-CB 4.2Å; K435-N438 PolarHBondContact O-N 2.66Å; P436-N438 VanDerWaalsContact C-N 3.3Å; P436-N438 PolarHBondContact O-N 2.85Å; N438-S451 VanDerWaalsContact C-OG 3.3Å; N438-S451 PolarHBondContact O-N 3.13Å; N438-S451 PolarHBondContact O-OG 3.32Å; N438-D452 HydrophobicContact CB-CB 4.29Å
439	I	98.4	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116	175	-57.5	160.2	0	0	0	107.7	N391 L392 L417 I434 L448 L450 T496	N391-I439 CarbonylContact C-O 3.17Å; N391-I439 VanDerWaalsContact CA-O 3.24Å; N391-I439 WeakPolarHBondContact CA-O 3.3Å; L392-I439 HydrophobicContact CB-CB 4.48Å; L392-I439 HydrophobicContact CD1-CB 3.71Å; L392-I439 HydrophobicContact CD1-CD1 4.08Å; L392-I439 HydrophobicContact CD1-CG2 3.37Å; L392-I439 HydrophobicContact CG-CB 4.03Å; L392-I439 HydrophobicContact CG-CG2 3.85Å; L392-I439 PolarHBondContact N-O 3.32Å; L417-I439 HydrophobicContact CD1-CD1 4.17Å; L417-I439 HydrophobicContact CD2-CD1 3.9Å; L417-I439 HydrophobicContact CD2-CG1 4.18Å; L417-I439 HydrophobicContact CD2-CG2 4.28Å; I434-I439 HydrophobicContact CG2-CD1 4.23Å; I439-L448 HydrophobicContact CG2-CB 3.97Å; I439-L448 HydrophobicContact CG2-CD1 4.12Å; I439-L448 HydrophobicContact CG2-CD2 4.08Å; I439-L448 HydrophobicContact CG2-CG 4.29Å; I439-L450 HydrophobicContact CG1-CD1 3.86Å; I439-T496 HydrophobicContact CD1-CG2 3.73Å
440	L	98.1	Very high	96.8	Very high	37 Å²	37	27.9 Å²	27.9	19%	0.194	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	149.8	-176.2	-53.8	179.5	0	0	0	110.5	L369 M388 L390 N391 L448 K449	L369-L440 HydrophobicContact CD1-CD1 4.09Å; L369-L440 HydrophobicContact CD2-CD1 4.18Å; M388-L440 HydrophobicContact CB-CB 3.6Å; M388-L440 HydrophobicContact CB-CD1 3.88Å; M388-L440 HydrophobicContact CB-CG 4.31Å; M388-L440 HydrophobicContact CE-CB 4.01Å; M388-L440 WeakPolarHBondContact CE-O 3.28Å; M388-L440 HydrophobicContact CG-CB 3.76Å; M388-L440 HydrophobicContact CG-CD1 3.91Å; M388-L440 HydrophobicContact CG-CG 4.49Å; L390-L440 CarbonylContact O-C 3.57Å; L390-L440 WeakPolarHBondContact O-CA 3.2Å; N391-L440 HydrophobicContact CB-CD2 3.8Å; L440-L448 CarbonylContact O-C 3.49Å; L440-L448 WeakPolarHBondContact O-CA 3.38Å; L440-L448 WeakPolarHBondContact O-CB 3.36Å; L440-K449 PolarHBondContact N-O 3.21Å; L440-K449 PolarHBondContact O-N 3.34Å
441	V	97.8	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.7	174	-62.8	0	0	0	0	111.8	M388 S389 L390 L392 V395 K445 L447 L448	M388-V441 VanDerWaalsContact CE-C 3.41Å; S389-V441 WeakPolarHBondContact CB-O 3.44Å; S389-V441 PolarHBondContact N-O 3.36Å; L390-V441 HydrophobicContact CB-CG2 4.12Å; L390-V441 PolarHBondContact N-O 3.17Å; L390-V441 WeakPolarHBondContact O-CG2 3.4Å; L390-V441 PolarHBondContact O-N 3.14Å; L392-V441 HydrophobicContact CD2-CG1 3.39Å; L392-V441 HydrophobicContact CG-CG1 4.1Å; V395-V441 HydrophobicContact CG2-CG2 3.57Å; V441-K445 HydrophobicContact CG2-CB 4.49Å; V441-K445 HydrophobicContact CG2-CG 4.31Å; V441-L447 VanDerWaalsContact CA-O 3.27Å; V441-L447 WeakPolarHBondContact CA-O 3.44Å; V441-L448 HydrophobicContact CG1-CB 4.06Å
442	N	96	Very high	96.7	Very high	37 Å²	37	30.3 Å²	30.3	20%	0.198	16%	0.155	C	C	.	.			trans	-71.1	174.9	171.9	72.3	-18	0	0	0	111.6	N444 K445 I446 L447	N442-N444 VanDerWaalsContact C-N 3.29Å; N442-N444 PolarHBondContact O-N 3.46Å; N442-K445 WeakPolarHBondContact O-CA 3.48Å; N442-K445 PolarHBondContact O-N 3.38Å; N442-K445 WeakPolarHBondContact OD1-CA 3.35Å; N442-K445 PolarHBondContact OD1-N 3.08Å; N442-I446 WeakPolarHBondContact ND2-CG1 3.05Å; N442-I446 PolarHBondContact OD1-N 3.03Å; N442-L447 PolarHBondContact N-O 3.07Å; N442-L447 PolarHBondContact OD1-N 3.17Å; N442-L447 VanDerWaalsContact OD1-N 3.1Å; N442-L447 PolarHBondContact OD1-O 2.88Å
443	E	94.7	Very high	96.7	Very high	143 Å²	143	30.3 Å²	30.3	67%	0.668	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-41.9	-176.9	-62.1	-174.9	160.9	0	0	112.7	K445	E443-K445 PolarHBondContact O-N 3.13Å
444	N	94.6	Very high	96.5	Very high	105 Å²	105	30.3 Å²	30.3	56%	0.561	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-6.2	179.2	-61.3	-1.1	0	0	0	112.9	N442 I446	N442-N444 VanDerWaalsContact C-N 3.29Å; N442-N444 PolarHBondContact O-N 3.46Å; N444-I446 HydrophobicContact CB-CD1 4.31Å; N444-I446 HydrophobicContact CB-CG1 3.98Å; N444-I446 HydrophobicContact CB-CG2 4.34Å; N444-I446 PolarHBondContact O-N 2.93Å; N444-I446 VanDerWaalsContact O-N 3.11Å
445	K	94.8	Very high	96.2	Very high	9 Å²	9	33.1 Å²	33.1	4%	0.039	18%	0.178	C	C	.	.	S	Bend	trans	60.2	17	-179.5	-47.7	137.8	-162.2	161.5	0	113.7	F191 E192 Y399 Y413 V441 N442 E443	F191-K445 HydrophobicContact CB-CB 4.32Å; F191-K445 HydrophobicContact CD1-CB 3.91Å; F191-K445 HydrophobicContact CD1-CD 3.3Å; F191-K445 HydrophobicContact CD1-CG 4.19Å; F191-K445 HydrophobicContact CD2-CB 4.19Å; F191-K445 HydrophobicContact CE1-CB 4.21Å; F191-K445 HydrophobicContact CE1-CD 3.58Å; F191-K445 HydrophobicContact CE1-CG 4.36Å; F191-K445 HydrophobicContact CE2-CB 4.5Å; F191-K445 HydrophobicContact CG-CB 3.89Å; F191-K445 HydrophobicContact CG-CD 4.09Å; F191-K445 HydrophobicContact CZ-CB 4.5Å; E192-K445 IonicContact OE1-NZ 3.72Å; E192-K445 PolarHBondContact OE1-NZ 3.45Å; E192-K445 IonicContact OE2-NZ 3.01Å; E192-K445 PolarHBondContact OE2-NZ 3.21Å; Y399-K445 HydrophobicContact CE2-CD 4.17Å; Y399-K445 WeakPolarHBondContact OH-CE 3.4Å; Y399-K445 PolarHBondContact OH-NZ 2.96Å; Y413-K445 WeakPolarHBondContact CE1-O 3.44Å; Y413-K445 PolarHBondContact OH-O 3.4Å; V441-K445 HydrophobicContact CG2-CB 4.49Å; V441-K445 HydrophobicContact CG2-CG 4.31Å; N442-K445 WeakPolarHBondContact O-CA 3.48Å; N442-K445 PolarHBondContact O-N 3.38Å; N442-K445 WeakPolarHBondContact OD1-CA 3.35Å; N442-K445 PolarHBondContact OD1-N 3.08Å; E443-K445 PolarHBondContact O-N 3.13Å
446	I	94.2	Very high	96.1	Very high	38 Å²	38	31.8 Å²	31.8	20%	0.195	17%	0.173	C	C	.	.			trans	-86.8	-33.9	-180	56.6	171.3	0	0	0	112.3	F189 Q416 N442 N444	F189-I446 VanDerWaalsContact O-CG2 3.27Å; F189-I446 WeakPolarHBondContact O-CG2 3.46Å; Q416-I446 PolarHBondContact NE2-O 3.5Å; N442-I446 WeakPolarHBondContact ND2-CG1 3.05Å; N442-I446 PolarHBondContact OD1-N 3.03Å; N444-I446 HydrophobicContact CB-CD1 4.31Å; N444-I446 HydrophobicContact CB-CG1 3.98Å; N444-I446 HydrophobicContact CB-CG2 4.34Å; N444-I446 PolarHBondContact O-N 2.93Å; N444-I446 VanDerWaalsContact O-N 3.11Å
447	L	96.8	Very high	95.9	Very high	77 Å²	77	32.8 Å²	32.8	40%	0.403	18%	0.18	S	C	.	.			trans	-111.4	132	-178	-72.1	169.8	0	0	0	109	V441 N442	V441-L447 VanDerWaalsContact CA-O 3.27Å; V441-L447 WeakPolarHBondContact CA-O 3.44Å; N442-L447 PolarHBondContact N-O 3.07Å; N442-L447 PolarHBondContact OD1-N 3.17Å; N442-L447 VanDerWaalsContact OD1-N 3.1Å; N442-L447 PolarHBondContact OD1-O 2.88Å
448	L	98	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	155.2	169	68.5	75.2	0	0	0	111.5	H367 L392 Y413 Q416 L417 I439 L440 V441	H367-L448 HydrophobicContact CB-CD1 4.33Å; H367-L448 PolarHBondContact ND1-O 3.43Å; H367-L448 VanDerWaalsContact ND1-O 3.1Å; L392-L448 HydrophobicContact CD1-CD2 4.42Å; Y413-L448 HydrophobicContact CD1-CD2 3.58Å; Y413-L448 HydrophobicContact CD1-CG 4.29Å; Y413-L448 HydrophobicContact CE1-CD2 4.41Å; Y413-L448 HydrophobicContact CG-CD2 3.65Å; Q416-L448 HydrophobicContact CB-CD1 3.72Å; Q416-L448 HydrophobicContact CB-CD2 4.25Å; Q416-L448 HydrophobicContact CB-CG 3.76Å; L417-L448 HydrophobicContact CD1-CD2 4.46Å; L417-L448 HydrophobicContact CD2-CD1 3.8Å; L417-L448 HydrophobicContact CD2-CD2 4.36Å; L417-L448 HydrophobicContact CG-CD1 4.03Å; L417-L448 HydrophobicContact CG-CD2 3.98Å; I439-L448 HydrophobicContact CG2-CB 3.97Å; I439-L448 HydrophobicContact CG2-CD1 4.12Å; I439-L448 HydrophobicContact CG2-CD2 4.08Å; I439-L448 HydrophobicContact CG2-CG 4.29Å; L440-L448 CarbonylContact O-C 3.49Å; L440-L448 WeakPolarHBondContact O-CA 3.38Å; L440-L448 WeakPolarHBondContact O-CB 3.36Å; V441-L448 HydrophobicContact CG1-CB 4.06Å
449	K	98.4	Very high	95	Very high	13 Å²	13	33.9 Å²	33.9	6%	0.057	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.7	170.1	-61.9	-67	-168	-178.3	0	109.5	D364 H367 L369 E386 M388 L440	D364-K449 IonicContact OD1-NZ 3.53Å; D364-K449 PolarHBondContact OD1-NZ 2.75Å; D364-K449 IonicContact OD2-NZ 3.94Å; D364-K449 PolarHBondContact OD2-NZ 3.07Å; H367-K449 CarbonylContact O-C 3.57Å; H367-K449 WeakPolarHBondContact O-CA 3.3Å; L369-K449 HydrophobicContact CB-CB 4.34Å; L369-K449 HydrophobicContact CD1-CB 4.15Å; E386-K449 WeakPolarHBondContact OE1-CE 3.47Å; M388-K449 HydrophobicContact CE-CB 3.91Å; M388-K449 HydrophobicContact CE-CG 3.61Å; M388-K449 HydrophobicContact SD-CG 3.96Å; L440-K449 PolarHBondContact N-O 3.21Å; L440-K449 PolarHBondContact O-N 3.34Å
450	L	98.4	Very high	94.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.7	169.9	-173.8	60.6	0	0	0	109.6	H367 L369 A420 M424 H431 I434 I439 F453	H367-L450 PolarHBondContact O-N 3.45Å; L369-L450 VanDerWaalsContact CB-O 3.3Å; L369-L450 WeakPolarHBondContact CB-O 3.27Å; L369-L450 PolarHBondContact N-O 3.38Å; A420-L450 HydrophobicContact CB-CB 4.37Å; A420-L450 HydrophobicContact CB-CD2 4.4Å; M424-L450 HydrophobicContact CE-CD2 3.45Å; M424-L450 VanDerWaalsContact CE-CD2 3.45Å; M424-L450 HydrophobicContact SD-CD2 3.83Å; H431-L450 VanDerWaalsContact CD2-CD2 3.43Å; H431-L450 WeakPolarHBondContact CD2-CD2 3.45Å; I434-L450 HydrophobicContact CD1-CD2 4.21Å; I434-L450 HydrophobicContact CG1-CD1 4.2Å; I434-L450 HydrophobicContact CG1-CD2 4.38Å; I434-L450 HydrophobicContact CG2-CD1 4.45Å; I439-L450 HydrophobicContact CG1-CD1 3.86Å; L450-F453 HydrophobicContact CG-CZ 4.41Å
451	S	96.7	Very high	93.3	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.063	25%	0.248	C	C	.	.			trans	-136.8	173.5	-172.6	71.1	0	0	0	0	111.8	H431 N438	H431-S451 PolarHBondContact CE1-O 3.18Å; H431-S451 PolarHBondContact NE2-O 2.83Å; N438-S451 VanDerWaalsContact C-OG 3.3Å; N438-S451 PolarHBondContact O-N 3.13Å; N438-S451 PolarHBondContact O-OG 3.32Å
452	D	94.3	Very high	92.3	Very high	43 Å²	43	48.2 Å²	48.2	23%	0.23	26%	0.258	C	S	.	.			trans	64.7	71.2	178.5	-160.4	24.6	0	0	0	114.4	K335 H431 N438 G454	K335-D452 IonicContact NZ-OD1 3.72Å; K335-D452 PolarHBondContact NZ-OD1 3.32Å; H431-D452 PolarHBondContact CE1-O 2.94Å; N438-D452 HydrophobicContact CB-CB 4.29Å; D452-G454 PolarHBondContact O-N 3.46Å
453	F	96.1	Very high	91.8	Very high	2 Å²	2	53 Å²	53	1%	0.009	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.4	18.3	178.4	-65.4	-93.3	0	0	0	112.4	E350 V353 L354 L357 C368 M424 H431 L450 S455 A456	E350-F453 HydrophobicContact CG-CB 3.97Å; E350-F453 PolarHBondContact OE1-N 2.84Å; V353-F453 HydrophobicContact CG1-CB 4.18Å; V353-F453 HydrophobicContact CG1-CD1 4Å; V353-F453 HydrophobicContact CG1-CG 4.33Å; L354-F453 HydrophobicContact CD2-CD2 3.57Å; L354-F453 HydrophobicContact CD2-CE2 3.94Å; L354-F453 HydrophobicContact CD2-CG 4.35Å; L354-F453 HydrophobicContact CG-CD2 4.33Å; L357-F453 HydrophobicContact CD1-CD1 3.9Å; L357-F453 HydrophobicContact CD1-CE1 3.39Å; L357-F453 HydrophobicContact CD1-CE2 4.2Å; L357-F453 HydrophobicContact CD1-CG 4.49Å; L357-F453 HydrophobicContact CD1-CZ 3.56Å; C368-F453 HydrophobicContact CB-CZ 4.21Å; M424-F453 HydrophobicContact CG-CE1 4.44Å; M424-F453 HydrophobicContact SD-CE1 3.68Å; M424-F453 HydrophobicContact SD-CZ 4.44Å; H431-F453 AromaticContact CD2-CD1 3.89Å; H431-F453 AromaticContact CD2-CE1 3.68Å; L450-F453 HydrophobicContact CG-CZ 4.41Å; F453-S455 PolarHBondContact O-N 3.47Å; F453-A456 HydrophobicContact CB-CB 3.87Å; F453-A456 HydrophobicContact CD1-CB 4.05Å; F453-A456 HydrophobicContact CG-CB 4.48Å; F453-A456 WeakPolarHBondContact O-CB 3.45Å; F453-A456 PolarHBondContact O-N 3.14Å
454	G	92.3	Very high	91.7	Very high	15 Å²	15	49 Å²	49	16%	0.155	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-63	-27.2	-179.4	0	0	0	0	0	114.2	S346 D452	S346-G454 PolarHBondContact OG-O 3.16Å; D452-G454 PolarHBondContact O-N 3.46Å
455	S	92.2	Very high	91.6	Very high	60 Å²	60	46.7 Å²	46.7	42%	0.42	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-96.8	2.1	174	-58.5	0	0	0	0	113.3	F453	F453-S455 PolarHBondContact O-N 3.47Å
456	A	94.9	Very high	91.4	Very high	7 Å²	7	47 Å²	47	6%	0.058	26%	0.258	C	S	.	.			trans	-70.1	145.4	-176.3	0	0	0	0	0	111.3	V353 I429 L430 F453	V353-A456 HydrophobicContact CG1-CB 4.01Å; V353-A456 HydrophobicContact CG2-CB 4.3Å; I429-A456 HydrophobicContact CG2-CB 4.15Å; L430-A456 CarbonylContact O-C 3.52Å; L430-A456 WeakPolarHBondContact O-CA 3.32Å; F453-A456 HydrophobicContact CB-CB 3.87Å; F453-A456 HydrophobicContact CD1-CB 4.05Å; F453-A456 HydrophobicContact CG-CB 4.48Å; F453-A456 WeakPolarHBondContact O-CB 3.45Å; F453-A456 PolarHBondContact O-N 3.14Å
457	S	93.4	Very high	91.4	Very high	21 Å²	21	53 Å²	53	15%	0.147	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-155.7	165.5	-171.4	44.8	0	0	0	0	110.5	L430 N462	L430-S457 WeakPolarHBondContact CB-O 3.38Å; L430-S457 PolarHBondContact N-O 3.05Å; L430-S457 PolarHBondContact O-N 2.69Å; S457-N462 VanDerWaalsContact CB-OD1 3.27Å; S457-N462 WeakPolarHBondContact CB-OD1 3.46Å; S457-N462 PolarHBondContact OG-ND2 3.11Å; S457-N462 PolarHBondContact OG-OD1 3.06Å; S457-N462 VanDerWaalsContact OG-OD1 3.08Å
458	T	91.6	Very high	91.1	Very high	40 Å²	40	50.6 Å²	50.6	25%	0.245	27%	0.267	C	S	.	.			trans	-90.3	157.8	166.5	79.9	0	0	0	0	109.7	Q460 D461 N462	T458-Q460 PolarHBondContact O-N 2.94Å; T458-Q460 PolarHBondContact OG1-N 3.41Å; T458-D461 WeakPolarHBondContact CB-OD2 3.23Å; T458-D461 PolarHBondContact O-N 3.35Å; T458-D461 PolarHBondContact OG1-N 3.17Å; T458-D461 PolarHBondContact OG1-OD2 3.37Å; T458-N462 PolarHBondContact O-ND2 3.44Å; T458-N462 VanDerWaalsContact O-ND2 3.11Å
459	I	84.4	Confident	91	Very high	54 Å²	54	51 Å²	51	28%	0.277	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-60.9	-30.3	175.6	-68.6	174.8	0	0	0	111.7	D461 N462 D485 Y486	I459-D461 VanDerWaalsContact C-N 3.32Å; I459-D461 PolarHBondContact O-N 3.16Å; I459-N462 PolarHBondContact O-N 2.83Å; I459-D485 HydrophobicContact CD1-CB 4.01Å; I459-Y486 HydrophobicContact CD1-CD1 3.86Å; I459-Y486 HydrophobicContact CD1-CD2 3.56Å; I459-Y486 HydrophobicContact CD1-CE1 3.56Å; I459-Y486 HydrophobicContact CD1-CE2 3.26Å; I459-Y486 HydrophobicContact CD1-CG 3.85Å; I459-Y486 HydrophobicContact CG1-CD1 4.14Å; I459-Y486 HydrophobicContact CG1-CE1 3.63Å; I459-Y486 HydrophobicContact CG1-CE2 4.21Å
460	Q	82.5	Confident	90.9	Very high	187 Å²	187	52.1 Å²	52.1	87%	0.874	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-71.5	-29.3	-177	-65.1	178.2	-5.2	0	0	112.5	T458 N462	T458-Q460 PolarHBondContact O-N 2.94Å; T458-Q460 PolarHBondContact OG1-N 3.41Å; Q460-N462 VanDerWaalsContact C-N 3.3Å
461	D	78.4	Confident	90.9	Very high	114 Å²	114	57.4 Å²	57.4	61%	0.61	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-84.3	-7.1	-178.2	-56.6	-41.8	0	0	0	113.2	T458 I459	T458-D461 WeakPolarHBondContact CB-OD2 3.23Å; T458-D461 PolarHBondContact O-N 3.35Å; T458-D461 PolarHBondContact OG1-N 3.17Å; T458-D461 PolarHBondContact OG1-OD2 3.37Å; I459-D461 VanDerWaalsContact C-N 3.32Å; I459-D461 PolarHBondContact O-N 3.16Å
462	N	75.9	Confident	91	Very high	38 Å²	38	60.1 Å²	60.1	20%	0.203	31%	0.31	C	S	.	.			trans	-99.1	112.7	-161.9	-88.6	-20.2	0	0	0	113	L430 S457 T458 I459 Q460 Y484	L430-N462 WeakPolarHBondContact CD2-ND2 3.44Å; S457-N462 VanDerWaalsContact CB-OD1 3.27Å; S457-N462 WeakPolarHBondContact CB-OD1 3.46Å; S457-N462 PolarHBondContact OG-ND2 3.11Å; S457-N462 PolarHBondContact OG-OD1 3.06Å; S457-N462 VanDerWaalsContact OG-OD1 3.08Å; T458-N462 PolarHBondContact O-ND2 3.44Å; T458-N462 VanDerWaalsContact O-ND2 3.11Å; I459-N462 PolarHBondContact O-N 2.83Å; Q460-N462 VanDerWaalsContact C-N 3.3Å; N462-Y484 HydrophobicContact CB-CE2 4.3Å; N462-Y484 WeakPolarHBondContact CB-OH 3.35Å
463	D	86	Confident	91.2	Very high	137 Å²	137	58.3 Å²	58.3	73%	0.733	30%	0.3	S	S	*	.			trans	-68.9	149	168.9	-70.5	-43	0	0	0	111.7	T465 Y484	D463-T465 PolarHBondContact O-N 3.14Å; D463-Y484 PolarHBondContact O-OH 3.04Å
464	I	91.3	Very high	91.2	Very high	59 Å²	59	58.8 Å²	58.8	30%	0.303	30%	0.302	S	S	.	.			trans	-73	101.1	173.3	-62.5	175	0	0	0	108.5	G481 P483 Y484 M535 F536	I464-G481 VanDerWaalsContact CG2-CA 3.44Å; I464-P483 HydrophobicContact CD1-CG 4.32Å; I464-Y484 HydrophobicContact CG1-CE1 4.46Å; I464-M535 HydrophobicContact CB-SD 4.04Å; I464-M535 HydrophobicContact CD1-SD 3.59Å; I464-M535 VanDerWaalsContact CD1-SD 3.59Å; I464-M535 HydrophobicContact CG1-SD 4.4Å; I464-M535 HydrophobicContact CG2-SD 3.88Å; I464-F536 HydrophobicContact CG2-CE2 3.89Å; I464-F536 HydrophobicContact CG2-CZ 4.23Å
465	T	92.9	Very high	91.5	Very high	56 Å²	56	58.1 Å²	58.1	34%	0.344	29%	0.294	S	S	.	.			trans	-124.3	133.8	178.5	178.6	0	0	0	0	111.4	D463 Y467 L468 I478	D463-T465 PolarHBondContact O-N 3.14Å; T465-Y467 PolarHBondContact O-N 3.21Å; T465-Y467 VanDerWaalsContact O-N 3.15Å; T465-L468 HydrophobicContact CG2-CB 3.88Å; T465-L468 PolarHBondContact O-N 3.5Å; T465-I478 WeakPolarHBondContact O-CG2 3.43Å
466	P	91.4	Very high	91.8	Very high	15 Å²	15	55.2 Å²	55.2	10%	0.097	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-3.1	-175.7	31.2	-33.7	0	0	0	113.4	R474 N512 F536	P466-R474 PolarHBondContact O-NH1 3.16Å; P466-R474 VanDerWaalsContact O-NH1 3.08Å; P466-N512 PolarHBondContact O-ND2 2.7Å; P466-N512 VanDerWaalsContact O-ND2 3.14Å; P466-F536 HydrophobicContact CB-CD2 3.74Å; P466-F536 HydrophobicContact CB-CE2 3.83Å; P466-F536 VanDerWaalsContact CD-CE2 3.48Å; P466-F536 HydrophobicContact CG-CD2 4.19Å; P466-F536 HydrophobicContact CG-CE2 3.95Å; P466-F536 HydrophobicContact CG-CZ 4.31Å
467	Y	92.7	Very high	91.9	Very high	165 Å²	165	55 Å²	55	65%	0.647	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	7.6	-177.1	-54.9	-62.6	0	0	0	114.2	T465 R474	T465-Y467 PolarHBondContact O-N 3.21Å; T465-Y467 VanDerWaalsContact O-N 3.15Å; Y467-R474 PolarHBondContact O-NH2 3.26Å; Y467-R474 VanDerWaalsContact O-NH2 3.12Å
468	L	91.7	Very high	92.1	Very high	26 Å²	26	54 Å²	54	14%	0.136	27%	0.265	C	S	.	.			trans	-60.5	141.3	168.4	-167.3	70.8	0	0	0	109.1	L430 A432 T465 R474 I478 Y484	L430-L468 HydrophobicContact CD2-CD2 4.22Å; A432-L468 HydrophobicContact CB-CD1 4.01Å; A432-L468 HydrophobicContact CB-CD2 4.44Å; A432-L468 HydrophobicContact CB-CG 4.09Å; T465-L468 HydrophobicContact CG2-CB 3.88Å; T465-L468 PolarHBondContact O-N 3.5Å; L468-R474 PolarHBondContact O-NE 3.09Å; L468-I478 HydrophobicContact CB-CD1 4.46Å; L468-I478 HydrophobicContact CB-CG2 3.86Å; L468-I478 HydrophobicContact CD2-CD1 3.87Å; L468-I478 WeakPolarHBondContact O-CG2 3.32Å; L468-Y484 HydrophobicContact CD2-CD2 4.49Å; L468-Y484 HydrophobicContact CD2-CE1 4.41Å; L468-Y484 HydrophobicContact CD2-CE2 3.62Å; L468-Y484 WeakPolarHBondContact CD2-OH 3.41Å
469	V	95.9	Very high	92.4	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	25%	0.253	C	S	.	.	S	Bend	trans	69.4	141.9	-176.4	-163.9	0	0	0	0	114.8	A432 R471 R474	A432-V469 HydrophobicContact CB-CG2 4.16Å; A432-V469 WeakPolarHBondContact O-CA 3.21Å; A432-V469 WeakPolarHBondContact O-CG2 3.35Å; V469-R471 PolarHBondContact O-N 2.71Å; V469-R474 HydrophobicContact CB-CB 4.26Å; V469-R474 HydrophobicContact CB-CG 4.36Å; V469-R474 HydrophobicContact CG1-CB 4.49Å; V469-R474 VanDerWaalsContact O-CZ 3.29Å; V469-R474 PolarHBondContact O-NE 3.12Å; V469-R474 VanDerWaalsContact O-NE 3.07Å; V469-R474 PolarHBondContact O-NH2 2.96Å
470	S	96.3	Very high	93	Very high	36 Å²	36	49.6 Å²	49.6	25%	0.252	24%	0.24	S	C	.	.			trans	-53.6	129.9	169.8	-74.3	0	0	0	0	111.7	D433 K435 F472 Y473 R474	D433-S470 WeakPolarHBondContact OD1-CB 3.47Å; D433-S470 PolarHBondContact OD1-OG 3.39Å; K435-S470 PolarHBondContact NZ-OG 2.98Å; S470-F472 PolarHBondContact O-N 3.48Å; S470-F472 VanDerWaalsContact O-N 3.16Å; S470-Y473 PolarHBondContact O-N 3.07Å; S470-R474 PolarHBondContact O-N 2.92Å; S470-R474 VanDerWaalsContact O-N 3.09Å
471	R	97.8	Very high	93.7	Very high	111 Å²	111	40.7 Å²	40.7	42%	0.419	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-48	-49.3	-166.7	-173.6	-171.5	-62	146.5	-2.2	114.7	V469 Y473 R474 G509 K510 M515	V469-R471 PolarHBondContact O-N 2.71Å; R471-Y473 PolarHBondContact O-N 3.04Å; R471-R474 WeakPolarHBondContact O-CB 3.38Å; R471-R474 PolarHBondContact O-N 3.26Å; R471-G509 WeakPolarHBondContact CD-O 3.4Å; R471-K510 PolarHBondContact NE-O 3.08Å; R471-K510 PolarHBondContact NH1-O 2.71Å; R471-M515 HydrophobicContact CG-CG 3.81Å; R471-M515 HydrophobicContact CG-SD 4.08Å; R471-M515 WeakPolarHBondContact O-CE 3.35Å
472	F	98.3	Very high	94.5	Very high	66 Å²	66	35.3 Å²	35.3	29%	0.289	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-67.2	-21.3	-175.9	-59.2	-33.4	0	0	0	113.8	S470 V495 I505 F507 G509 M515	S470-F472 PolarHBondContact O-N 3.48Å; S470-F472 VanDerWaalsContact O-N 3.16Å; F472-V495 WeakPolarHBondContact O-CG1 3.47Å; F472-I505 HydrophobicContact CB-CG2 3.94Å; F472-I505 HydrophobicContact CD1-CG2 4.43Å; F472-I505 HydrophobicContact CD2-CD1 3.93Å; F472-I505 HydrophobicContact CD2-CG2 4.09Å; F472-I505 HydrophobicContact CE2-CD1 3.91Å; F472-I505 HydrophobicContact CG-CG2 3.92Å; F472-F507 VanDerWaalsContact CD1-O 3.31Å; F472-F507 WeakPolarHBondContact CD1-O 3.5Å; F472-G509 WeakPolarHBondContact CE1-O 3.43Å; F472-M515 HydrophobicContact CD1-SD 4.21Å
473	Y	98.5	Very high	95.4	Very high	5 Å²	5	37 Å²	37	2%	0.02	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-105.7	-2.6	-178.2	-50.4	-80.7	0	0	0	112	R393 K435 P436 S470 R471 W491 S492 V495 T496 E499	R393-Y473 PolarHBondContact NH2-OH 3.45Å; K435-Y473 HydrophobicContact CB-CD1 4.41Å; K435-Y473 HydrophobicContact CB-CD2 3.69Å; K435-Y473 HydrophobicContact CB-CE1 4.28Å; K435-Y473 HydrophobicContact CB-CE2 3.52Å; K435-Y473 HydrophobicContact CB-CG 4.15Å; P436-Y473 WeakPolarHBondContact CD-OH 3.44Å; P436-Y473 HydrophobicContact CG-CE1 4.49Å; S470-Y473 PolarHBondContact O-N 3.07Å; R471-Y473 PolarHBondContact O-N 3.04Å; Y473-W491 VanDerWaalsContact O-CD1 3.26Å; Y473-S492 WeakPolarHBondContact O-CA 3.33Å; Y473-S492 PolarHBondContact O-OG 3.3Å; Y473-V495 HydrophobicContact CD1-CB 4.31Å; Y473-V495 HydrophobicContact CD1-CG1 3.9Å; Y473-V495 HydrophobicContact CE1-CG1 4.31Å; Y473-T496 WeakPolarHBondContact CD1-OG1 3.28Å; Y473-E499 WeakPolarHBondContact CE1-OE2 3.35Å; Y473-E499 PolarHBondContact OH-OE2 3.47Å
474	R	97.8	Very high	95.8	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.049	15%	0.153	C	C	.	.			trans	-70.9	134.9	-174.1	-175.4	-178.6	-65.6	157.6	0.2	111.6	P466 Y467 L468 V469 S470 R471 I478 I479 W491 N512 M519	P466-R474 PolarHBondContact O-NH1 3.16Å; P466-R474 VanDerWaalsContact O-NH1 3.08Å; Y467-R474 PolarHBondContact O-NH2 3.26Å; Y467-R474 VanDerWaalsContact O-NH2 3.12Å; L468-R474 PolarHBondContact O-NE 3.09Å; V469-R474 HydrophobicContact CB-CB 4.26Å; V469-R474 HydrophobicContact CB-CG 4.36Å; V469-R474 HydrophobicContact CG1-CB 4.49Å; V469-R474 VanDerWaalsContact O-CZ 3.29Å; V469-R474 PolarHBondContact O-NE 3.12Å; V469-R474 VanDerWaalsContact O-NE 3.07Å; V469-R474 PolarHBondContact O-NH2 2.96Å; S470-R474 PolarHBondContact O-N 2.92Å; S470-R474 VanDerWaalsContact O-N 3.09Å; R471-R474 WeakPolarHBondContact O-CB 3.38Å; R471-R474 PolarHBondContact O-N 3.26Å; R474-I478 HydrophobicContact CG-CB 3.79Å; R474-I478 HydrophobicContact CG-CG1 4.42Å; R474-I478 HydrophobicContact CG-CG2 3.79Å; R474-I479 HydrophobicContact CG-CG1 4.01Å; R474-W491 PolarHBondContact O-NE1 3.49Å; R474-N512 PolarHBondContact NH1-OD1 2.73Å; R474-M519 WeakPolarHBondContact O-CE 3.4Å
475	A	98	Very high	95.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.			trans	-75.3	151.4	177.1	0	0	0	0	0	112.3	E477 I478 I479 V488 W491	A475-E477 VanDerWaalsContact C-N 3.31Å; A475-E477 VanDerWaalsContact CB-CD 3.43Å; A475-E477 HydrophobicContact CB-CG 4.38Å; A475-E477 WeakPolarHBondContact CB-OE1 3.47Å; A475-E477 VanDerWaalsContact CB-OE2 3.27Å; A475-E477 WeakPolarHBondContact CB-OE2 3.3Å; A475-E477 PolarHBondContact O-N 2.95Å; A475-I478 HydrophobicContact CB-CG1 4.47Å; A475-I478 WeakPolarHBondContact O-CB 3.41Å; A475-I478 PolarHBondContact O-N 3.05Å; A475-I479 PolarHBondContact O-N 2.77Å; A475-V488 HydrophobicContact CB-CB 4.2Å; A475-V488 HydrophobicContact CB-CG1 4.16Å; A475-W491 HydrophobicContact CB-CB 3.86Å; A475-W491 HydrophobicContact CB-CD2 4.13Å; A475-W491 HydrophobicContact CB-CG 3.66Å
476	P	97.8	Very high	96	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-33.7	-177.5	22.6	-33.2	0	0	0	113.7	I478 I479 L480 W491 L516 M519 L604	P476-I478 VanDerWaalsContact C-N 3.28Å; P476-I478 PolarHBondContact O-N 2.95Å; P476-I479 PolarHBondContact O-N 3.01Å; P476-L480 WeakPolarHBondContact O-CB 3.2Å; P476-L480 VanDerWaalsContact O-CG 3.26Å; P476-L480 WeakPolarHBondContact O-CG 3.18Å; P476-L480 PolarHBondContact O-N 2.98Å; P476-W491 HydrophobicContact CG-CE3 4.43Å; P476-W491 HydrophobicContact CG-CH2 4.04Å; P476-W491 HydrophobicContact CG-CZ2 4.5Å; P476-W491 HydrophobicContact CG-CZ3 4Å; P476-L516 HydrophobicContact CB-CD2 4.11Å; P476-M519 HydrophobicContact CB-SD 3.82Å; P476-M519 HydrophobicContact CG-SD 4.28Å; P476-L604 HydrophobicContact CG-CD2 4.26Å
477	E	97.4	Very high	96.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-32.5	177.3	63.5	-86.9	-148.1	0	0	112.7	A475 G481 V482 V488 P606 R609	A475-E477 VanDerWaalsContact C-N 3.31Å; A475-E477 VanDerWaalsContact CB-CD 3.43Å; A475-E477 HydrophobicContact CB-CG 4.38Å; A475-E477 WeakPolarHBondContact CB-OE1 3.47Å; A475-E477 VanDerWaalsContact CB-OE2 3.27Å; A475-E477 WeakPolarHBondContact CB-OE2 3.3Å; A475-E477 PolarHBondContact O-N 2.95Å; E477-G481 PolarHBondContact O-N 3.04Å; E477-V482 HydrophobicContact CB-CB 3.87Å; E477-V482 HydrophobicContact CB-CG1 4.34Å; E477-V482 PolarHBondContact O-N 3.15Å; E477-V488 HydrophobicContact CG-CG1 3.96Å; E477-V488 VanDerWaalsContact OE1-CG1 3.29Å; E477-V488 WeakPolarHBondContact OE1-CG1 3.49Å; E477-P606 HydrophobicContact CB-CG 4.39Å; E477-R609 IonicContact OE1-CZ 3.63Å; E477-R609 VanDerWaalsContact OE1-CZ 3.24Å; E477-R609 IonicContact OE1-NH1 3Å; E477-R609 PolarHBondContact OE1-NH1 2.84Å; E477-R609 IonicContact OE1-NH2 3.73Å; E477-R609 PolarHBondContact OE1-NH2 3Å; E477-R609 IonicContact OE2-CZ 2.7Å; E477-R609 IonicContact OE2-NH1 2.99Å; E477-R609 IonicContact OE2-NH2 3.61Å; E477-R609 PolarHBondContact OE2-NH2 3.19Å
478	I	97.3	Very high	96.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-66.5	-48.6	173.3	-61.1	-56.6	0	0	0	109.4	T465 L468 R474 A475 P476 L480 G481 Y484 V488	T465-I478 WeakPolarHBondContact O-CG2 3.43Å; L468-I478 HydrophobicContact CB-CD1 4.46Å; L468-I478 HydrophobicContact CB-CG2 3.86Å; L468-I478 HydrophobicContact CD2-CD1 3.87Å; L468-I478 WeakPolarHBondContact O-CG2 3.32Å; R474-I478 HydrophobicContact CG-CB 3.79Å; R474-I478 HydrophobicContact CG-CG1 4.42Å; R474-I478 HydrophobicContact CG-CG2 3.79Å; A475-I478 HydrophobicContact CB-CG1 4.47Å; A475-I478 WeakPolarHBondContact O-CB 3.41Å; A475-I478 PolarHBondContact O-N 3.05Å; P476-I478 VanDerWaalsContact C-N 3.28Å; P476-I478 PolarHBondContact O-N 2.95Å; I478-L480 VanDerWaalsContact C-N 3.28Å; I478-L480 PolarHBondContact O-N 3.26Å; I478-G481 PolarHBondContact O-N 3.41Å; I478-Y484 HydrophobicContact CD1-CD1 3.35Å; I478-Y484 HydrophobicContact CD1-CD2 3.86Å; I478-Y484 HydrophobicContact CD1-CE1 3.66Å; I478-Y484 HydrophobicContact CD1-CE2 4.13Å; I478-Y484 HydrophobicContact CD1-CG 3.46Å; I478-Y484 VanDerWaalsContact CD1-CG 3.46Å; I478-V488 HydrophobicContact CD1-CG1 3.89Å; I478-V488 HydrophobicContact CG1-CG1 4.01Å
479	I	98.1	Very high	96.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-42.2	180	-61.9	173	0	0	0	110.9	R474 A475 P476 G481 N512 M515 L516 M519	R474-I479 HydrophobicContact CG-CG1 4.01Å; A475-I479 PolarHBondContact O-N 2.77Å; P476-I479 PolarHBondContact O-N 3.01Å; I479-G481 VanDerWaalsContact C-N 3.31Å; I479-G481 PolarHBondContact O-N 2.86Å; I479-N512 HydrophobicContact CG2-CB 3.65Å; I479-M515 HydrophobicContact CD1-CB 3.71Å; I479-M515 HydrophobicContact CD1-CG 4.46Å; I479-L516 HydrophobicContact CB-CD2 4.22Å; I479-L516 HydrophobicContact CB-CG 4.45Å; I479-L516 HydrophobicContact CD1-CD2 4.22Å; I479-L516 HydrophobicContact CD1-CG 4.3Å; I479-L516 HydrophobicContact CG2-CD1 3.69Å; I479-L516 HydrophobicContact CG2-CD2 4.09Å; I479-L516 HydrophobicContact CG2-CG 3.81Å; I479-M519 HydrophobicContact CD1-CE 3.92Å
480	L	97.6	Very high	96.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-79.4	-12.4	-178	-64.8	171.7	0	0	0	113.7	P476 I478 V482 L516 I526 V530 G534 M535 F536 F541	P476-L480 WeakPolarHBondContact O-CB 3.2Å; P476-L480 VanDerWaalsContact O-CG 3.26Å; P476-L480 WeakPolarHBondContact O-CG 3.18Å; P476-L480 PolarHBondContact O-N 2.98Å; I478-L480 VanDerWaalsContact C-N 3.28Å; I478-L480 PolarHBondContact O-N 3.26Å; L480-V482 HydrophobicContact CB-CG2 3.94Å; L480-L516 HydrophobicContact CD2-CD1 3.94Å; L480-L516 HydrophobicContact CD2-CD2 4.46Å; L480-L516 HydrophobicContact CG-CD2 4.35Å; L480-I526 HydrophobicContact CD1-CD1 4.11Å; L480-I526 HydrophobicContact CD1-CG2 4.32Å; L480-V530 HydrophobicContact CD1-CG1 4.46Å; L480-G534 CarbonylContact O-C 3.6Å; L480-G534 VanDerWaalsContact O-C 3.24Å; L480-G534 WeakPolarHBondContact O-CA 3.01Å; L480-M535 PolarHBondContact O-N 3.03Å; L480-M535 VanDerWaalsContact O-N 3.1Å; L480-F536 PolarHBondContact O-N 3.23Å; L480-F541 HydrophobicContact CD2-CD2 4.02Å; L480-F541 HydrophobicContact CD2-CE2 3.65Å
481	G	96.6	Very high	97	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	40.8	-172.6	0	0	0	0	0	112	I464 E477 I478 I479 M535 F536	I464-G481 VanDerWaalsContact CG2-CA 3.44Å; E477-G481 PolarHBondContact O-N 3.04Å; I478-G481 PolarHBondContact O-N 3.41Å; I479-G481 VanDerWaalsContact C-N 3.31Å; I479-G481 PolarHBondContact O-N 2.86Å; G481-M535 WeakPolarHBondContact O-CG 3.23Å; G481-M535 PolarHBondContact O-N 3.36Å; G481-F536 VanDerWaalsContact CA-CD2 3.46Å
482	V	96.2	Very high	97	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.			trans	-87.1	140.8	169.7	175	0	0	0	0	107.3	E477 L480 Y484 V530 R533	E477-V482 HydrophobicContact CB-CB 3.87Å; E477-V482 HydrophobicContact CB-CG1 4.34Å; E477-V482 PolarHBondContact O-N 3.15Å; L480-V482 HydrophobicContact CB-CG2 3.94Å; V482-Y484 PolarHBondContact O-N 3.3Å; V482-V530 HydrophobicContact CG2-CG1 4.37Å; V482-R533 HydrophobicContact CG1-CB 4.24Å; V482-R533 HydrophobicContact CG2-CB 4.23Å
483	P	93.9	Very high	97	Very high	74 Å²	74	12.3 Å²	12.3	48%	0.481	6%	0.063	S	C	.	.			trans	-52.9	125.9	172.6	-26.8	34.8	0	0	0	110.9	I464	I464-P483 HydrophobicContact CD1-CG 4.32Å
484	Y	94.5	Very high	97	Very high	25 Å²	25	12.3 Å²	12.3	10%	0.098	6%	0.064	C	C	.	.			trans	-114.4	165.7	-173.8	54.5	-92.2	0	0	0	111.1	L430 N462 D463 I464 L468 I478 V482 V488	L430-Y484 HydrophobicContact CD2-CD2 4.38Å; L430-Y484 HydrophobicContact CD2-CE2 4.01Å; N462-Y484 HydrophobicContact CB-CE2 4.3Å; N462-Y484 WeakPolarHBondContact CB-OH 3.35Å; D463-Y484 PolarHBondContact O-OH 3.04Å; I464-Y484 HydrophobicContact CG1-CE1 4.46Å; L468-Y484 HydrophobicContact CD2-CD2 4.49Å; L468-Y484 HydrophobicContact CD2-CE1 4.41Å; L468-Y484 HydrophobicContact CD2-CE2 3.62Å; L468-Y484 WeakPolarHBondContact CD2-OH 3.41Å; I478-Y484 HydrophobicContact CD1-CD1 3.35Å; I478-Y484 HydrophobicContact CD1-CD2 3.86Å; I478-Y484 HydrophobicContact CD1-CE1 3.66Å; I478-Y484 HydrophobicContact CD1-CE2 4.13Å; I478-Y484 HydrophobicContact CD1-CG 3.46Å; I478-Y484 VanDerWaalsContact CD1-CG 3.46Å; V482-Y484 PolarHBondContact O-N 3.3Å; Y484-V488 HydrophobicContact CD2-CG1 4.3Å; Y484-V488 HydrophobicContact CG-CG1 4.22Å
485	D	93.6	Very high	97.1	Very high	58 Å²	58	11.7 Å²	11.7	31%	0.31	6%	0.061	S	C	.	.			trans	-135.2	-165.7	176.4	65.5	7.9	0	0	0	110.2	I459 N487 V488	I459-D485 HydrophobicContact CD1-CB 4.01Å; D485-N487 VanDerWaalsContact CG-ND2 3.28Å; D485-N487 PolarHBondContact O-N 2.83Å; D485-N487 WeakPolarHBondContact OD1-CB 3.15Å; D485-N487 VanDerWaalsContact OD1-CG 3.27Å; D485-N487 PolarHBondContact OD1-N 3.32Å; D485-N487 PolarHBondContact OD1-ND2 3.49Å; D485-N487 PolarHBondContact OD2-ND2 3.27Å; D485-V488 WeakPolarHBondContact O-CG2 3.41Å; D485-V488 PolarHBondContact O-N 3Å
486	Y	94.9	Very high	97.1	Very high	59 Å²	59	11.7 Å²	11.7	23%	0.231	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-11.4	178.5	-51.5	-69.5	0	0	0	114	R425 G428 I429 L430 I459 V488 D489	R425-Y486 HydrophobicContact CG-CD2 3.94Å; R425-Y486 HydrophobicContact CG-CG 4.3Å; G428-Y486 VanDerWaalsContact C-CE1 3.47Å; G428-Y486 WeakPolarHBondContact CA-OH 3.31Å; G428-Y486 PolarHBondContact O-OH 3.5Å; I429-Y486 WeakPolarHBondContact O-CD1 3.13Å; L430-Y486 HydrophobicContact CB-CD1 4.28Å; I459-Y486 HydrophobicContact CD1-CD1 3.86Å; I459-Y486 HydrophobicContact CD1-CD2 3.56Å; I459-Y486 HydrophobicContact CD1-CE1 3.56Å; I459-Y486 HydrophobicContact CD1-CE2 3.26Å; I459-Y486 HydrophobicContact CD1-CG 3.85Å; I459-Y486 HydrophobicContact CG1-CD1 4.14Å; I459-Y486 HydrophobicContact CG1-CE1 3.63Å; I459-Y486 HydrophobicContact CG1-CE2 4.21Å; Y486-V488 PolarHBondContact O-N 2.98Å; Y486-D489 PolarHBondContact O-N 2.75Å
487	N	96	Very high	97.1	Very high	15 Å²	15	11.9 Å²	11.9	8%	0.08	6%	0.062	C	C	.	.	H	α-helix	trans	-73.8	-7.7	179.3	-60.3	-49.5	0	0	0	113.7	D485 D489 L490 W491 R609	D485-N487 VanDerWaalsContact CG-ND2 3.28Å; D485-N487 PolarHBondContact O-N 2.83Å; D485-N487 WeakPolarHBondContact OD1-CB 3.15Å; D485-N487 VanDerWaalsContact OD1-CG 3.27Å; D485-N487 PolarHBondContact OD1-N 3.32Å; D485-N487 PolarHBondContact OD1-ND2 3.49Å; D485-N487 PolarHBondContact OD2-ND2 3.27Å; N487-D489 VanDerWaalsContact C-N 3.27Å; N487-L490 PolarHBondContact O-N 3.05Å; N487-W491 PolarHBondContact O-N 3.46Å; N487-W491 VanDerWaalsContact O-N 3.13Å; N487-R609 PolarHBondContact O-NH1 2.77Å
488	V	97.1	Very high	97.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.1	-32.1	170.6	-58.4	0	0	0	0	111.5	L430 A475 E477 I478 Y484 D485 Y486 W491 S492	L430-V488 HydrophobicContact CD1-CG2 3.27Å; L430-V488 HydrophobicContact CD2-CG2 4.14Å; L430-V488 HydrophobicContact CG-CG2 4.23Å; A475-V488 HydrophobicContact CB-CB 4.2Å; A475-V488 HydrophobicContact CB-CG1 4.16Å; E477-V488 HydrophobicContact CG-CG1 3.96Å; E477-V488 VanDerWaalsContact OE1-CG1 3.29Å; E477-V488 WeakPolarHBondContact OE1-CG1 3.49Å; I478-V488 HydrophobicContact CD1-CG1 3.89Å; I478-V488 HydrophobicContact CG1-CG1 4.01Å; Y484-V488 HydrophobicContact CD2-CG1 4.3Å; Y484-V488 HydrophobicContact CG-CG1 4.22Å; D485-V488 WeakPolarHBondContact O-CG2 3.41Å; D485-V488 PolarHBondContact O-N 3Å; Y486-V488 PolarHBondContact O-N 2.98Å; V488-W491 WeakPolarHBondContact O-CB 3.46Å; V488-W491 PolarHBondContact O-N 2.69Å; V488-S492 PolarHBondContact O-N 2.91Å; V488-S492 PolarHBondContact O-OG 2.96Å
489	D	98.1	Very high	97.2	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.016	6%	0.064	C	C	.	.	H	α-helix	trans	-72.8	-33.5	174.6	-76.1	-21.4	0	0	0	111.1	L421 L430 H431 A432 I434 Y486 N487 W491 S492 C493	L421-D489 HydrophobicContact CD2-CB 3.74Å; L430-D489 VanDerWaalsContact CD1-OD2 3.28Å; L430-D489 WeakPolarHBondContact CD1-OD2 3.49Å; H431-D489 PolarHBondContact N-OD2 3.49Å; A432-D489 PolarHBondContact N-OD1 3.02Å; I434-D489 HydrophobicContact CD1-CB 3.64Å; Y486-D489 PolarHBondContact O-N 2.75Å; N487-D489 VanDerWaalsContact C-N 3.27Å; D489-W491 VanDerWaalsContact C-N 3.34Å; D489-S492 PolarHBondContact O-N 3.47Å; D489-C493 WeakPolarHBondContact O-CB 3.35Å; D489-C493 PolarHBondContact O-N 3Å
490	L	98.4	Very high	97.2	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-64	-39.4	172.8	-179	59.5	0	0	0	111.8	L418 L421 N487 S494 T601 I610 L612	L418-L490 HydrophobicContact CD2-CD1 3.84Å; L421-L490 HydrophobicContact CD1-CB 4.25Å; L421-L490 HydrophobicContact CD1-CD1 3.96Å; N487-L490 PolarHBondContact O-N 3.05Å; L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 3.39Å; L490-S494 PolarHBondContact O-OG 3.11Å; L490-T601 HydrophobicContact CD1-CG2 3.92Å; L490-T601 HydrophobicContact CD2-CG2 4.31Å; L490-T601 HydrophobicContact CG-CG2 4.13Å; L490-I610 HydrophobicContact CD2-CG2 4.47Å; L490-I610 VanDerWaalsContact CD2-O 3.24Å; L490-I610 WeakPolarHBondContact CD2-O 3.31Å; L490-L612 HydrophobicContact CD1-CD2 3.99Å; L490-L612 HydrophobicContact CD2-CD2 4.46Å
491	W	98.6	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.5	-51	171.5	176.9	-76.8	0	0	0	111.1	Y473 R474 A475 P476 N487 V488 D489 C493 S494 V495 F507 M519 L602 L604	Y473-W491 VanDerWaalsContact O-CD1 3.26Å; R474-W491 PolarHBondContact O-NE1 3.49Å; A475-W491 HydrophobicContact CB-CB 3.86Å; A475-W491 HydrophobicContact CB-CD2 4.13Å; A475-W491 HydrophobicContact CB-CG 3.66Å; P476-W491 HydrophobicContact CG-CE3 4.43Å; P476-W491 HydrophobicContact CG-CH2 4.04Å; P476-W491 HydrophobicContact CG-CZ2 4.5Å; P476-W491 HydrophobicContact CG-CZ3 4Å; N487-W491 PolarHBondContact O-N 3.46Å; N487-W491 VanDerWaalsContact O-N 3.13Å; V488-W491 WeakPolarHBondContact O-CB 3.46Å; V488-W491 PolarHBondContact O-N 2.69Å; D489-W491 VanDerWaalsContact C-N 3.34Å; W491-C493 VanDerWaalsContact C-N 3.3Å; W491-C493 PolarHBondContact O-N 3.35Å; W491-S494 WeakPolarHBondContact O-CB 3.01Å; W491-S494 PolarHBondContact O-N 3.17Å; W491-V495 PolarHBondContact O-N 2.81Å; W491-F507 HydrophobicContact CZ2-CD2 4.49Å; W491-F507 AromaticContact CZ2-CE2 3.79Å; W491-F507 HydrophobicContact CZ2-CE2 3.79Å; W491-F507 HydrophobicContact CZ2-CZ 4.42Å; W491-M519 HydrophobicContact CH2-CG 4.22Å; W491-M519 HydrophobicContact CH2-SD 4.18Å; W491-M519 HydrophobicContact CZ2-CE 3.84Å; W491-M519 HydrophobicContact CZ2-CG 3.92Å; W491-M519 HydrophobicContact CZ2-SD 3.81Å; W491-L602 HydrophobicContact CD2-CD2 3.95Å; W491-L602 HydrophobicContact CE3-CD2 4.01Å; W491-L602 HydrophobicContact CG-CD2 4.49Å; W491-L602 HydrophobicContact CH2-CD2 4.34Å; W491-L602 HydrophobicContact CZ2-CD2 4.28Å; W491-L602 HydrophobicContact CZ3-CB 4.17Å; W491-L602 HydrophobicContact CZ3-CD2 4.22Å; W491-L604 HydrophobicContact CH2-CD2 4.15Å; W491-L604 HydrophobicContact CZ3-CD2 4.49Å
492	S	98.7	Very high	97.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.9	-41.5	-179.1	-54.6	0	0	0	0	112	Y473 V488 D489 T496	Y473-S492 WeakPolarHBondContact O-CA 3.33Å; Y473-S492 PolarHBondContact O-OG 3.3Å; V488-S492 PolarHBondContact O-N 2.91Å; V488-S492 PolarHBondContact O-OG 2.96Å; D489-S492 PolarHBondContact O-N 3.47Å; S492-T496 WeakPolarHBondContact O-CB 3.46Å; S492-T496 PolarHBondContact O-N 2.99Å; S492-T496 PolarHBondContact O-OG1 3.19Å
493	C	98.5	Very high	97	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-60.1	-44.6	173	179	0	0	0	0	111.6	L421 D489 W491 T496 L497	L421-C493 HydrophobicContact CD1-CB 4.04Å; D489-C493 WeakPolarHBondContact O-CB 3.35Å; D489-C493 PolarHBondContact O-N 3Å; W491-C493 VanDerWaalsContact C-N 3.3Å; W491-C493 PolarHBondContact O-N 3.35Å; C493-T496 WeakPolarHBondContact O-CB 3.49Å; C493-T496 PolarHBondContact O-N 2.95Å; C493-L497 WeakPolarHBondContact O-CB 3.22Å; C493-L497 VanDerWaalsContact O-CG 3.28Å; C493-L497 WeakPolarHBondContact O-CG 3.42Å; C493-L497 PolarHBondContact O-N 3.37Å
494	S	98.5	Very high	97	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-42.6	-178.7	-57.5	0	0	0	0	112.8	L490 W491 T496 L497 F498 L598 T601	L490-S494 WeakPolarHBondContact O-CB 3.37Å; L490-S494 PolarHBondContact O-N 3.39Å; L490-S494 PolarHBondContact O-OG 3.11Å; W491-S494 WeakPolarHBondContact O-CB 3.01Å; W491-S494 PolarHBondContact O-N 3.17Å; S494-T496 VanDerWaalsContact C-N 3.31Å; S494-T496 PolarHBondContact O-N 3.34Å; S494-L497 PolarHBondContact O-N 2.86Å; S494-F498 PolarHBondContact O-N 3.07Å; S494-L598 WeakPolarHBondContact O-CD2 3.44Å; S494-T601 VanDerWaalsContact CB-OG1 3.28Å; S494-T601 WeakPolarHBondContact CB-OG1 3.44Å; S494-T601 WeakPolarHBondContact OG-CB 3.28Å; S494-T601 PolarHBondContact OG-OG1 2.68Å
495	V	98.6	Very high	97.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-39.2	174.1	175.4	0	0	0	0	111.1	F472 Y473 W491 F498 E499 M506 F507 L602	F472-V495 WeakPolarHBondContact O-CG1 3.47Å; Y473-V495 HydrophobicContact CD1-CB 4.31Å; Y473-V495 HydrophobicContact CD1-CG1 3.9Å; Y473-V495 HydrophobicContact CE1-CG1 4.31Å; W491-V495 PolarHBondContact O-N 2.81Å; V495-F498 PolarHBondContact O-N 2.7Å; V495-E499 PolarHBondContact O-N 2.91Å; V495-E499 VanDerWaalsContact O-N 3.1Å; V495-M506 HydrophobicContact CG1-CB 3.86Å; V495-M506 HydrophobicContact CG2-SD 4.3Å; V495-F507 HydrophobicContact CG1-CD2 4.46Å; V495-F507 HydrophobicContact CG2-CD2 4.02Å; V495-F507 HydrophobicContact CG2-CE2 3.83Å; V495-L602 HydrophobicContact CG2-CD2 3.84Å
496	T	98.6	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.3	-47.5	173.9	-64.4	0	0	0	0	111.2	P436 I439 Y473 S492 C493 S494 F498 E499 L500	P436-T496 HydrophobicContact CG-CG2 3.98Å; I439-T496 HydrophobicContact CD1-CG2 3.73Å; Y473-T496 WeakPolarHBondContact CD1-OG1 3.28Å; S492-T496 WeakPolarHBondContact O-CB 3.46Å; S492-T496 PolarHBondContact O-N 2.99Å; S492-T496 PolarHBondContact O-OG1 3.19Å; C493-T496 WeakPolarHBondContact O-CB 3.49Å; C493-T496 PolarHBondContact O-N 2.95Å; S494-T496 VanDerWaalsContact C-N 3.31Å; S494-T496 PolarHBondContact O-N 3.34Å; T496-F498 PolarHBondContact O-N 3.38Å; T496-E499 WeakPolarHBondContact O-CB 3.39Å; T496-E499 PolarHBondContact O-N 3.19Å; T496-E499 VanDerWaalsContact O-N 3.12Å; T496-L500 HydrophobicContact CG2-CD1 4.11Å; T496-L500 HydrophobicContact CG2-CG 4.43Å; T496-L500 VanDerWaalsContact O-CG 3.29Å; T496-L500 WeakPolarHBondContact O-CG 3.46Å; T496-L500 PolarHBondContact O-N 3.3Å
497	L	98.5	Very high	97.4	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-38.5	179.4	-72.6	166.5	0	0	0	112.7	T414 L417 C493 S494 E499 L500 H501 F594	T414-L497 HydrophobicContact CG2-CD1 3.7Å; T414-L497 WeakPolarHBondContact OG1-CD1 3.35Å; T414-L497 VanDerWaalsContact OG1-CD2 3.3Å; T414-L497 WeakPolarHBondContact OG1-CD2 3.46Å; L417-L497 HydrophobicContact CD1-CD2 4.03Å; L417-L497 HydrophobicContact CD1-CG 4.26Å; C493-L497 WeakPolarHBondContact O-CB 3.22Å; C493-L497 VanDerWaalsContact O-CG 3.28Å; C493-L497 WeakPolarHBondContact O-CG 3.42Å; C493-L497 PolarHBondContact O-N 3.37Å; S494-L497 PolarHBondContact O-N 2.86Å; L497-E499 VanDerWaalsContact C-N 3.33Å; L497-L500 HydrophobicContact CD2-CD1 4.38Å; L497-L500 PolarHBondContact O-N 3.35Å; L497-H501 PolarHBondContact O-N 2.88Å; L497-F594 HydrophobicContact CB-CE2 4.19Å; L497-F594 HydrophobicContact CB-CZ 3.94Å
498	F	98.3	Very high	97.5	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.022	8%	0.081	C	C	.	.	H	α-helix	trans	-58.2	-46.8	171.4	173.9	-83.8	0	0	0	111.3	S494 V495 T496 L500 H501 T502 M506 L573 D576 L577 L598	S494-F498 PolarHBondContact O-N 3.07Å; V495-F498 PolarHBondContact O-N 2.7Å; T496-F498 PolarHBondContact O-N 3.38Å; F498-L500 VanDerWaalsContact C-N 3.31Å; F498-L500 PolarHBondContact O-N 2.86Å; F498-H501 PolarHBondContact O-N 3.28Å; F498-T502 HydrophobicContact CD1-CG2 4.45Å; F498-T502 HydrophobicContact CD2-CG2 4.28Å; F498-T502 HydrophobicContact CE1-CG2 4.07Å; F498-T502 WeakPolarHBondContact CE1-OG1 3.4Å; F498-T502 HydrophobicContact CE2-CG2 3.89Å; F498-T502 HydrophobicContact CZ-CG2 3.78Å; F498-T502 PolarHBondContact O-N 3.15Å; F498-T502 PolarHBondContact O-OG1 3.46Å; F498-M506 HydrophobicContact CB-SD 3.99Å; F498-M506 HydrophobicContact CD1-CB 3.4Å; F498-M506 HydrophobicContact CD1-CG 3.62Å; F498-M506 HydrophobicContact CD1-SD 4.19Å; F498-M506 HydrophobicContact CD2-CE 4.03Å; F498-M506 HydrophobicContact CD2-CG 4.27Å; F498-M506 HydrophobicContact CD2-SD 4.14Å; F498-M506 HydrophobicContact CE1-CB 3.76Å; F498-M506 HydrophobicContact CE1-CG 3.81Å; F498-M506 HydrophobicContact CE2-CE 4.32Å; F498-M506 HydrophobicContact CE2-CG 4.44Å; F498-M506 HydrophobicContact CG-CB 4.02Å; F498-M506 HydrophobicContact CG-CE 4.34Å; F498-M506 HydrophobicContact CG-CG 3.86Å; F498-M506 HydrophobicContact CG-SD 3.83Å; F498-M506 HydrophobicContact CZ-CG 4.21Å; F498-L573 HydrophobicContact CD2-CD1 3.8Å; F498-L573 HydrophobicContact CE2-CD1 3.66Å; F498-D576 HydrophobicContact CE2-CB 3.84Å; F498-D576 HydrophobicContact CZ-CB 3.9Å; F498-L577 HydrophobicContact CD2-CD2 3.88Å; F498-L577 HydrophobicContact CE2-CD2 4.09Å; F498-L598 HydrophobicContact CB-CD1 4.31Å; F498-L598 HydrophobicContact CD2-CD1 4.24Å
499	E	97.6	Very high	97.5	Very high	6 Å²	6	14.8 Å²	14.8	3%	0.028	8%	0.081	C	C	.	.	H	α-helix	trans	-64	-37.7	179.5	173.8	171.6	-154.3	0	0	112.2	R393 L396 P436 Y473 V495 T496 L497 G503 Q504 I505	R393-E499 IonicContact CZ-OE1 3.55Å; R393-E499 VanDerWaalsContact NH1-CD 3.34Å; R393-E499 IonicContact NH1-OE1 3.81Å; R393-E499 PolarHBondContact NH1-OE1 3.07Å; R393-E499 IonicContact NH1-OE2 2.88Å; L396-E499 HydrophobicContact CD2-CG 3.88Å; P436-E499 WeakPolarHBondContact CG-OE2 3.32Å; Y473-E499 WeakPolarHBondContact CE1-OE2 3.35Å; Y473-E499 PolarHBondContact OH-OE2 3.47Å; V495-E499 PolarHBondContact O-N 2.91Å; V495-E499 VanDerWaalsContact O-N 3.1Å; T496-E499 WeakPolarHBondContact O-CB 3.39Å; T496-E499 PolarHBondContact O-N 3.19Å; T496-E499 VanDerWaalsContact O-N 3.12Å; L497-E499 VanDerWaalsContact C-N 3.33Å; E499-G503 WeakPolarHBondContact O-CA 3.5Å; E499-G503 PolarHBondContact O-N 3.42Å; E499-Q504 VanDerWaalsContact CA-O 3.25Å; E499-Q504 WeakPolarHBondContact CA-O 3.38Å; E499-Q504 WeakPolarHBondContact CB-O 3.42Å; E499-I505 VanDerWaalsContact OE1-CG1 3.3Å; E499-I505 WeakPolarHBondContact OE1-CG1 3.45Å
500	L	97.7	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-39.2	174.9	-63.1	171.1	0	0	0	111.8	L392 G404 L405 I410 Y413 T496 L497 F498	L392-L500 HydrophobicContact CB-CD2 3.87Å; L392-L500 HydrophobicContact CD1-CD1 3.63Å; L392-L500 HydrophobicContact CD1-CD2 4.21Å; L392-L500 HydrophobicContact CG-CD2 4.48Å; G404-L500 CarbonylContact C-O 3.58Å; G404-L500 VanDerWaalsContact CA-O 3.3Å; G404-L500 WeakPolarHBondContact CA-O 3.49Å; L405-L500 HydrophobicContact CD1-CB 4.41Å; L405-L500 HydrophobicContact CD1-CD2 4.42Å; L405-L500 PolarHBondContact N-O 3.36Å; I410-L500 HydrophobicContact CD1-CB 3.5Å; Y413-L500 HydrophobicContact CD2-CD1 4.5Å; T496-L500 HydrophobicContact CG2-CD1 4.11Å; T496-L500 HydrophobicContact CG2-CG 4.43Å; T496-L500 VanDerWaalsContact O-CG 3.29Å; T496-L500 WeakPolarHBondContact O-CG 3.46Å; T496-L500 PolarHBondContact O-N 3.3Å; L497-L500 HydrophobicContact CD2-CD1 4.38Å; L497-L500 PolarHBondContact O-N 3.35Å; F498-L500 VanDerWaalsContact C-N 3.31Å; F498-L500 PolarHBondContact O-N 2.86Å
501	H	96.8	Very high	97.3	Very high	16 Å²	16	25.2 Å²	25.2	7%	0.074	13%	0.132	C	C	.	.	H	α-helix	trans	-73.6	-35.2	-178.6	178.7	73	0	0	0	113.2	G404 I410 L497 F498 L577 F594	G404-H501 WeakPolarHBondContact CA-O 3.34Å; I410-H501 HydrophobicContact CD1-CB 4.05Å; I410-H501 HydrophobicContact CG1-CB 3.93Å; I410-H501 HydrophobicContact CG2-CB 4.44Å; L497-H501 PolarHBondContact O-N 2.88Å; F498-H501 PolarHBondContact O-N 3.28Å; H501-L577 VanDerWaalsContact CD2-CD2 3.41Å; H501-L577 WeakPolarHBondContact CD2-CD2 3.35Å; H501-L577 PolarHBondContact NE2-O 3.17Å; H501-F594 HydrophobicContact CB-CE1 3.72Å; H501-F594 HydrophobicContact CB-CZ 4.39Å; H501-F594 AromaticContact CG-CE1 3.88Å
502	T	95.4	Very high	97.2	Very high	11 Å²	11	26 Å²	26	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-102.5	-20	-174.2	60.8	0	0	0	0	113.6	I403 G404 F498 Q504 L577	I403-T502 CarbonylContact C-O 3.46Å; G404-T502 PolarHBondContact N-O 3.34Å; F498-T502 HydrophobicContact CD1-CG2 4.45Å; F498-T502 HydrophobicContact CD2-CG2 4.28Å; F498-T502 HydrophobicContact CE1-CG2 4.07Å; F498-T502 WeakPolarHBondContact CE1-OG1 3.4Å; F498-T502 HydrophobicContact CE2-CG2 3.89Å; F498-T502 HydrophobicContact CZ-CG2 3.78Å; F498-T502 PolarHBondContact O-N 3.15Å; F498-T502 PolarHBondContact O-OG1 3.46Å; T502-Q504 PolarHBondContact O-N 3.47Å; T502-Q504 PolarHBondContact OG1-N 3.03Å; T502-Q504 PolarHBondContact OG1-O 3.35Å; T502-L577 HydrophobicContact CG2-CD2 4.19Å
503	G	94.7	Very high	97.1	Very high	14 Å²	14	26.1 Å²	26.1	14%	0.144	14%	0.137	C	C	.	.	S	Bend	trans	72.4	12.7	-168.9	0	0	0	0	0	114.1	G404 E499	G404-G503 VanDerWaalsContact CA-N 3.35Å; E499-G503 WeakPolarHBondContact O-CA 3.5Å; E499-G503 PolarHBondContact O-N 3.42Å
504	Q	95	Very high	97	Very high	116 Å²	116	28.2 Å²	28.2	54%	0.542	15%	0.147	S	C	.	.	S	Bend	trans	-127.8	141.5	-175.1	-58.8	-175.1	12.4	0	0	111.7	E499 T502 M506	E499-Q504 VanDerWaalsContact CA-O 3.25Å; E499-Q504 WeakPolarHBondContact CA-O 3.38Å; E499-Q504 WeakPolarHBondContact CB-O 3.42Å; T502-Q504 PolarHBondContact O-N 3.47Å; T502-Q504 PolarHBondContact OG1-N 3.03Å; T502-Q504 PolarHBondContact OG1-O 3.35Å; Q504-M506 PolarHBondContact O-N 2.85Å
505	I	96.6	Very high	97	Very high	58 Å²	58	28 Å²	28	30%	0.297	15%	0.146	S	C	.	.			trans	-66.7	124.6	174.5	-64.3	168.5	0	0	0	108.8	F472 E499 F507 P508	F472-I505 HydrophobicContact CB-CG2 3.94Å; F472-I505 HydrophobicContact CD1-CG2 4.43Å; F472-I505 HydrophobicContact CD2-CD1 3.93Å; F472-I505 HydrophobicContact CD2-CG2 4.09Å; F472-I505 HydrophobicContact CE2-CD1 3.91Å; F472-I505 HydrophobicContact CG-CG2 3.92Å; E499-I505 VanDerWaalsContact OE1-CG1 3.3Å; E499-I505 WeakPolarHBondContact OE1-CG1 3.45Å; I505-F507 PolarHBondContact O-N 3Å; I505-P508 HydrophobicContact CB-CB 4.49Å; I505-P508 HydrophobicContact CG2-CB 4.19Å
506	M	97.2	Very high	96.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.146	C	C	.	.	S	Bend	trans	-62.3	-42	-176.3	-163.5	173.5	-169.6	0	0	113.4	V495 F498 Q504 V522 R571 L573 L602	V495-M506 HydrophobicContact CG1-CB 3.86Å; V495-M506 HydrophobicContact CG2-SD 4.3Å; F498-M506 HydrophobicContact CB-SD 3.99Å; F498-M506 HydrophobicContact CD1-CB 3.4Å; F498-M506 HydrophobicContact CD1-CG 3.62Å; F498-M506 HydrophobicContact CD1-SD 4.19Å; F498-M506 HydrophobicContact CD2-CE 4.03Å; F498-M506 HydrophobicContact CD2-CG 4.27Å; F498-M506 HydrophobicContact CD2-SD 4.14Å; F498-M506 HydrophobicContact CE1-CB 3.76Å; F498-M506 HydrophobicContact CE1-CG 3.81Å; F498-M506 HydrophobicContact CE2-CE 4.32Å; F498-M506 HydrophobicContact CE2-CG 4.44Å; F498-M506 HydrophobicContact CG-CB 4.02Å; F498-M506 HydrophobicContact CG-CE 4.34Å; F498-M506 HydrophobicContact CG-CG 3.86Å; F498-M506 HydrophobicContact CG-SD 3.83Å; F498-M506 HydrophobicContact CZ-CG 4.21Å; Q504-M506 PolarHBondContact O-N 2.85Å; M506-V522 HydrophobicContact CE-CG1 4.26Å; M506-R571 PolarHBondContact O-NH1 3.44Å; M506-L573 HydrophobicContact CE-CD1 3.6Å; M506-L602 HydrophobicContact CE-CD1 3.49Å; M506-L602 VanDerWaalsContact CE-CD1 3.49Å; M506-L602 HydrophobicContact SD-CD1 3.7Å
507	F	97.8	Very high	96.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-132	82.3	-175.7	-55.3	-57.8	0	0	0	109.9	F472 W491 V495 I505 G509 M515 L518 M519 V522	F472-F507 VanDerWaalsContact CD1-O 3.31Å; F472-F507 WeakPolarHBondContact CD1-O 3.5Å; W491-F507 HydrophobicContact CZ2-CD2 4.49Å; W491-F507 AromaticContact CZ2-CE2 3.79Å; W491-F507 HydrophobicContact CZ2-CE2 3.79Å; W491-F507 HydrophobicContact CZ2-CZ 4.42Å; V495-F507 HydrophobicContact CG1-CD2 4.46Å; V495-F507 HydrophobicContact CG2-CD2 4.02Å; V495-F507 HydrophobicContact CG2-CE2 3.83Å; I505-F507 PolarHBondContact O-N 3Å; F507-G509 PolarHBondContact O-N 3.47Å; F507-M515 HydrophobicContact CB-CE 3.46Å; F507-M515 VanDerWaalsContact CB-CE 3.46Å; F507-M515 HydrophobicContact CB-SD 4.12Å; F507-M515 HydrophobicContact CG-CE 4.36Å; F507-L518 HydrophobicContact CB-CB 4.37Å; F507-L518 HydrophobicContact CB-CD1 4.49Å; F507-L518 HydrophobicContact CD1-CB 3.89Å; F507-M519 HydrophobicContact CD1-CG 4.32Å; F507-M519 HydrophobicContact CD2-CG 4.31Å; F507-M519 HydrophobicContact CE1-CG 4.21Å; F507-M519 HydrophobicContact CE2-CG 4.21Å; F507-M519 HydrophobicContact CG-CG 4.36Å; F507-M519 HydrophobicContact CZ-CG 4.15Å; F507-V522 HydrophobicContact CE1-CB 4.31Å; F507-V522 HydrophobicContact CE1-CG2 3.82Å
508	P	97.1	Very high	96.7	Very high	69 Å²	69	32.1 Å²	32.1	45%	0.448	16%	0.162	S	C	.	.			trans	-80.4	48.1	-176.6	34.2	-37.6	0	0	0	113	I505 L518	I505-P508 HydrophobicContact CB-CB 4.49Å; I505-P508 HydrophobicContact CG2-CB 4.19Å; P508-L518 HydrophobicContact CG-CD1 4.46Å
509	G	96.6	Very high	96.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.			trans	-77.9	132.5	-177	0	0	0	0	0	113.2	R471 F472 F507 M515 L518	R471-G509 WeakPolarHBondContact CD-O 3.4Å; F472-G509 WeakPolarHBondContact CE1-O 3.43Å; F507-G509 PolarHBondContact O-N 3.47Å; G509-M515 PolarHBondContact N-SD 3.06Å; G509-L518 VanDerWaalsContact N-CD1 3.35Å
510	K	95.4	Very high	96.7	Very high	158 Å²	158	31.6 Å²	31.6	69%	0.687	16%	0.16	S	C	*	.	S	Bend	trans	-79.1	-23.9	177.9	-57.2	177.4	-178.2	179.2	0	112.5	R471 E514	R471-K510 PolarHBondContact NE-O 3.08Å; R471-K510 PolarHBondContact NH1-O 2.71Å; K510-E514 WeakPolarHBondContact CA-OE2 3.27Å; K510-E514 WeakPolarHBondContact CB-OE2 3.44Å; K510-E514 WeakPolarHBondContact CG-OE2 3.21Å; K510-E514 PolarHBondContact N-OE2 2.63Å
511	T	96.4	Very high	96.6	Very high	67 Å²	67	33.3 Å²	33.3	41%	0.411	17%	0.168	S	C	.	.	S	Bend	trans	-130.3	162.1	177.5	69.3	0	0	0	0	111.2	N513 E514 M515	T511-N513 PolarHBondContact O-N 3.46Å; T511-N513 PolarHBondContact OG1-N 3.17Å; T511-E514 PolarHBondContact O-N 3.31Å; T511-E514 PolarHBondContact OG1-N 3.48Å; T511-M515 WeakPolarHBondContact O-CG 3.48Å; T511-M515 PolarHBondContact O-N 2.75Å
512	N	97.3	Very high	96.5	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.08	17%	0.169	C	C	.	.	H	α-helix	trans	-56.8	-35.9	171.6	-88.1	2	0	0	0	112.3	P466 R474 I479 M515 L516	P466-N512 PolarHBondContact O-ND2 2.7Å; P466-N512 VanDerWaalsContact O-ND2 3.14Å; R474-N512 PolarHBondContact NH1-OD1 2.73Å; I479-N512 HydrophobicContact CG2-CB 3.65Å; N512-M515 PolarHBondContact O-N 2.92Å; N512-L516 WeakPolarHBondContact O-CG 3.41Å; N512-L516 PolarHBondContact O-N 3.04Å; N512-L516 VanDerWaalsContact O-N 3.14Å
513	N	96.9	Very high	96.5	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-48.6	175.8	-169.3	-81.3	0	0	0	110.9	T511 M515 L516 R517 H540 F547 L548 Y549 H550	T511-N513 PolarHBondContact O-N 3.46Å; T511-N513 PolarHBondContact OG1-N 3.17Å; N513-M515 PolarHBondContact O-N 3.34Å; N513-L516 PolarHBondContact O-N 2.72Å; N513-R517 PolarHBondContact O-N 3.47Å; N513-R517 VanDerWaalsContact O-N 3.07Å; N513-H540 PolarHBondContact ND2-ND1 3.43Å; N513-F547 WeakPolarHBondContact O-CZ 3.43Å; N513-L548 PolarHBondContact ND2-O 3.42Å; N513-Y549 WeakPolarHBondContact OD1-CD2 3.22Å; N513-H550 PolarHBondContact OD1-N 3.38Å; N513-H550 VanDerWaalsContact OD1-N 3.11Å
514	E	96.4	Very high	96.5	Very high	45 Å²	45	35 Å²	35	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-36.5	177.2	-167.7	175.2	-161.4	0	0	112.8	K510 T511 L516 R517 L518	K510-E514 WeakPolarHBondContact CA-OE2 3.27Å; K510-E514 WeakPolarHBondContact CB-OE2 3.44Å; K510-E514 WeakPolarHBondContact CG-OE2 3.21Å; K510-E514 PolarHBondContact N-OE2 2.63Å; T511-E514 PolarHBondContact O-N 3.31Å; T511-E514 PolarHBondContact OG1-N 3.48Å; E514-L516 PolarHBondContact O-N 2.96Å; E514-R517 WeakPolarHBondContact O-CB 3.38Å; E514-R517 PolarHBondContact O-N 2.71Å; E514-L518 HydrophobicContact CG-CD1 4.27Å; E514-L518 VanDerWaalsContact O-CG 3.31Å; E514-L518 WeakPolarHBondContact O-CG 3.49Å; E514-L518 PolarHBondContact O-N 2.84Å
515	M	97.8	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.7	-48.5	172.5	-71.9	-61.9	-57.3	0	0	111.6	R471 F472 I479 F507 G509 T511 N512 N513 R517 L518 M519	R471-M515 HydrophobicContact CG-CG 3.81Å; R471-M515 HydrophobicContact CG-SD 4.08Å; R471-M515 WeakPolarHBondContact O-CE 3.35Å; F472-M515 HydrophobicContact CD1-SD 4.21Å; I479-M515 HydrophobicContact CD1-CB 3.71Å; I479-M515 HydrophobicContact CD1-CG 4.46Å; F507-M515 HydrophobicContact CB-CE 3.46Å; F507-M515 VanDerWaalsContact CB-CE 3.46Å; F507-M515 HydrophobicContact CB-SD 4.12Å; F507-M515 HydrophobicContact CG-CE 4.36Å; G509-M515 PolarHBondContact N-SD 3.06Å; T511-M515 WeakPolarHBondContact O-CG 3.48Å; T511-M515 PolarHBondContact O-N 2.75Å; N512-M515 PolarHBondContact O-N 2.92Å; N513-M515 PolarHBondContact O-N 3.34Å; M515-R517 VanDerWaalsContact C-N 3.32Å; M515-R517 PolarHBondContact O-N 3.14Å; M515-L518 PolarHBondContact O-N 3.11Å; M515-M519 HydrophobicContact CB-CE 4.26Å; M515-M519 HydrophobicContact CE-CE 3.82Å; M515-M519 VanDerWaalsContact O-CG 3.22Å; M515-M519 WeakPolarHBondContact O-CG 3.47Å; M515-M519 PolarHBondContact O-N 2.82Å
516	L	97.8	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-38.7	177.8	-67.9	172.1	0	0	0	112	P476 I479 L480 N512 N513 E514 M519 M520 I526 H540 F541 F547	P476-L516 HydrophobicContact CB-CD2 4.11Å; I479-L516 HydrophobicContact CB-CD2 4.22Å; I479-L516 HydrophobicContact CB-CG 4.45Å; I479-L516 HydrophobicContact CD1-CD2 4.22Å; I479-L516 HydrophobicContact CD1-CG 4.3Å; I479-L516 HydrophobicContact CG2-CD1 3.69Å; I479-L516 HydrophobicContact CG2-CD2 4.09Å; I479-L516 HydrophobicContact CG2-CG 3.81Å; L480-L516 HydrophobicContact CD2-CD1 3.94Å; L480-L516 HydrophobicContact CD2-CD2 4.46Å; L480-L516 HydrophobicContact CG-CD2 4.35Å; N512-L516 WeakPolarHBondContact O-CG 3.41Å; N512-L516 PolarHBondContact O-N 3.04Å; N512-L516 VanDerWaalsContact O-N 3.14Å; N513-L516 PolarHBondContact O-N 2.72Å; E514-L516 PolarHBondContact O-N 2.96Å; L516-M519 HydrophobicContact CD2-SD 4.32Å; L516-M519 PolarHBondContact O-N 3.17Å; L516-M520 HydrophobicContact CB-CE 4.47Å; L516-M520 WeakPolarHBondContact O-CE 3.19Å; L516-M520 VanDerWaalsContact O-CG 3.32Å; L516-M520 WeakPolarHBondContact O-CG 3Å; L516-M520 PolarHBondContact O-N 3.46Å; L516-I526 HydrophobicContact CD2-CD1 3.76Å; L516-H540 HydrophobicContact CD1-CB 3.7Å; L516-H540 VanDerWaalsContact CD1-CG 3.43Å; L516-F541 HydrophobicContact CD1-CE2 4.17Å; L516-F547 HydrophobicContact CB-CE2 3.96Å; L516-F547 HydrophobicContact CB-CZ 4.4Å; L516-F547 HydrophobicContact CD1-CE2 4.49Å
517	R	96.1	Very high	96.4	Very high	67 Å²	67	34.2 Å²	34.2	25%	0.253	17%	0.168	S	C	.	.	H	α-helix	trans	-57.4	-53.9	173.7	-179.5	-176.8	161.5	157.2	-1.3	110.7	N513 E514 M515 M519 M520 E521 F547 Y549 E551	N513-R517 PolarHBondContact O-N 3.47Å; N513-R517 VanDerWaalsContact O-N 3.07Å; E514-R517 WeakPolarHBondContact O-CB 3.38Å; E514-R517 PolarHBondContact O-N 2.71Å; M515-R517 VanDerWaalsContact C-N 3.32Å; M515-R517 PolarHBondContact O-N 3.14Å; R517-M519 VanDerWaalsContact C-N 3.3Å; R517-M519 PolarHBondContact O-N 3.08Å; R517-M520 CarbonylContact O-C 3.52Å; R517-M520 PolarHBondContact O-N 2.82Å; R517-E521 IonicContact CZ-OE1 3.42Å; R517-E521 IonicContact NE-OE1 3.4Å; R517-E521 PolarHBondContact NE-OE1 3.48Å; R517-E521 IonicContact NH2-OE1 2.69Å; R517-E521 PolarHBondContact NH2-OE1 3.08Å; R517-E521 WeakPolarHBondContact O-CG 3.32Å; R517-E521 PolarHBondContact O-N 3.15Å; R517-F547 HydrophobicContact CB-CE1 3.78Å; R517-F547 HydrophobicContact CB-CZ 3.89Å; R517-F547 HydrophobicContact CG-CE1 4.28Å; R517-Y549 HydrophobicContact CB-CD2 4.19Å; R517-Y549 HydrophobicContact CB-CE2 4.14Å; R517-Y549 HydrophobicContact CG-CD2 4.39Å; R517-Y549 HydrophobicContact CG-CE2 4.32Å; R517-Y549 VanDerWaalsContact NH1-CD1 3.34Å; R517-Y549 VanDerWaalsContact NH1-CZ 3.31Å; R517-E551 IonicContact NH1-OE1 3.33Å
518	L	96.9	Very high	96.3	Very high	22 Å²	22	35.1 Å²	35.1	12%	0.115	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-37.2	-178.7	-66.5	166.4	0	0	0	112.2	F507 P508 G509 E514 M515 M520 E521 V522	F507-L518 HydrophobicContact CB-CB 4.37Å; F507-L518 HydrophobicContact CB-CD1 4.49Å; F507-L518 HydrophobicContact CD1-CB 3.89Å; P508-L518 HydrophobicContact CG-CD1 4.46Å; G509-L518 VanDerWaalsContact N-CD1 3.35Å; E514-L518 HydrophobicContact CG-CD1 4.27Å; E514-L518 VanDerWaalsContact O-CG 3.31Å; E514-L518 WeakPolarHBondContact O-CG 3.49Å; E514-L518 PolarHBondContact O-N 2.84Å; M515-L518 PolarHBondContact O-N 3.11Å; L518-M520 VanDerWaalsContact C-N 3.34Å; L518-E521 PolarHBondContact O-N 3.44Å; L518-V522 PolarHBondContact O-N 3.3Å
519	M	97.8	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-41.3	173	-69.2	170.7	-169.4	0	0	111.7	R474 P476 I479 W491 F507 M515 L516 R517 V522 K523 L604	R474-M519 WeakPolarHBondContact O-CE 3.4Å; P476-M519 HydrophobicContact CB-SD 3.82Å; P476-M519 HydrophobicContact CG-SD 4.28Å; I479-M519 HydrophobicContact CD1-CE 3.92Å; W491-M519 HydrophobicContact CH2-CG 4.22Å; W491-M519 HydrophobicContact CH2-SD 4.18Å; W491-M519 HydrophobicContact CZ2-CE 3.84Å; W491-M519 HydrophobicContact CZ2-CG 3.92Å; W491-M519 HydrophobicContact CZ2-SD 3.81Å; F507-M519 HydrophobicContact CD1-CG 4.32Å; F507-M519 HydrophobicContact CD2-CG 4.31Å; F507-M519 HydrophobicContact CE1-CG 4.21Å; F507-M519 HydrophobicContact CE2-CG 4.21Å; F507-M519 HydrophobicContact CG-CG 4.36Å; F507-M519 HydrophobicContact CZ-CG 4.15Å; M515-M519 HydrophobicContact CB-CE 4.26Å; M515-M519 HydrophobicContact CE-CE 3.82Å; M515-M519 VanDerWaalsContact O-CG 3.22Å; M515-M519 WeakPolarHBondContact O-CG 3.47Å; M515-M519 PolarHBondContact O-N 2.82Å; L516-M519 HydrophobicContact CD2-SD 4.32Å; L516-M519 PolarHBondContact O-N 3.17Å; R517-M519 VanDerWaalsContact C-N 3.3Å; R517-M519 PolarHBondContact O-N 3.08Å; M519-V522 PolarHBondContact O-N 3.45Å; M519-K523 WeakPolarHBondContact O-CB 3.42Å; M519-K523 PolarHBondContact O-N 3.07Å; M519-L604 HydrophobicContact CB-CD2 4.22Å
520	M	96.6	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-74.7	-26	178.4	-67.6	-173.7	-73	0	0	113.3	L516 R517 L518 V522 G524 I526 F541 F547 L567	L516-M520 HydrophobicContact CB-CE 4.47Å; L516-M520 WeakPolarHBondContact O-CE 3.19Å; L516-M520 VanDerWaalsContact O-CG 3.32Å; L516-M520 WeakPolarHBondContact O-CG 3Å; L516-M520 PolarHBondContact O-N 3.46Å; R517-M520 CarbonylContact O-C 3.52Å; R517-M520 PolarHBondContact O-N 2.82Å; L518-M520 VanDerWaalsContact C-N 3.34Å; M520-V522 PolarHBondContact O-N 2.89Å; M520-G524 VanDerWaalsContact CA-O 3.27Å; M520-G524 WeakPolarHBondContact CA-O 3.27Å; M520-G524 WeakPolarHBondContact CB-O 3.49Å; M520-G524 VanDerWaalsContact CG-O 3.31Å; M520-G524 WeakPolarHBondContact CG-O 3.2Å; M520-G524 WeakPolarHBondContact O-CA 3.5Å; M520-G524 PolarHBondContact O-N 3.24Å; M520-I526 HydrophobicContact CG-CD1 4.41Å; M520-I526 HydrophobicContact CG-CG1 3.9Å; M520-I526 HydrophobicContact SD-CD1 4.4Å; M520-I526 HydrophobicContact SD-CG1 4Å; M520-F541 HydrophobicContact CE-CZ 4.27Å; M520-F541 HydrophobicContact SD-CE1 4.44Å; M520-F541 HydrophobicContact SD-CZ 4.32Å; M520-F547 HydrophobicContact CE-CB 4.03Å; M520-F547 HydrophobicContact CE-CD1 3.83Å; M520-F547 HydrophobicContact CE-CD2 3.38Å; M520-F547 HydrophobicContact CE-CE1 4.07Å; M520-F547 HydrophobicContact CE-CE2 3.67Å; M520-F547 HydrophobicContact CE-CG 3.47Å; M520-F547 VanDerWaalsContact CE-CG 3.47Å; M520-F547 HydrophobicContact CE-CZ 4.01Å; M520-L567 HydrophobicContact CB-CD1 4.5Å; M520-L567 HydrophobicContact CE-CD1 3.54Å; M520-L567 HydrophobicContact SD-CD1 3.68Å
521	E	95.5	Very high	96.3	Very high	36 Å²	36	30 Å²	30	17%	0.168	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-28.7	170.9	-73.1	176.9	-176.2	0	0	111.8	R517 L518 P569 T570 R571	R517-E521 IonicContact CZ-OE1 3.42Å; R517-E521 IonicContact NE-OE1 3.4Å; R517-E521 PolarHBondContact NE-OE1 3.48Å; R517-E521 IonicContact NH2-OE1 2.69Å; R517-E521 PolarHBondContact NH2-OE1 3.08Å; R517-E521 WeakPolarHBondContact O-CG 3.32Å; R517-E521 PolarHBondContact O-N 3.15Å; L518-E521 PolarHBondContact O-N 3.44Å; E521-P569 CarbonylContact O-C 3.12Å; E521-P569 VanDerWaalsContact O-CA 3.28Å; E521-P569 WeakPolarHBondContact O-CA 3.34Å; E521-T570 PolarHBondContact O-N 3.25Å; E521-R571 PolarHBondContact O-N 2.75Å
522	V	96	Very high	96.3	Very high	16 Å²	16	34 Å²	34	10%	0.097	15%	0.153	C	C	.	.	H	α-helix	trans	-93.1	-47.3	176.6	-179.6	0	0	0	0	112.5	M506 F507 L518 M519 M520 R571	M506-V522 HydrophobicContact CE-CG1 4.26Å; F507-V522 HydrophobicContact CE1-CB 4.31Å; F507-V522 HydrophobicContact CE1-CG2 3.82Å; L518-V522 PolarHBondContact O-N 3.3Å; M519-V522 PolarHBondContact O-N 3.45Å; M520-V522 PolarHBondContact O-N 2.89Å; V522-R571 HydrophobicContact CG2-CB 4.13Å
523	K	95.3	Very high	96.3	Very high	56 Å²	56	39.3 Å²	39.3	24%	0.243	17%	0.172	C	C	.	.	H	α-helix	trans	-102.4	-3.8	-169.5	-63.7	-61.6	-57.9	-170	0	114	M519 E599 L602 L604	M519-K523 WeakPolarHBondContact O-CB 3.42Å; M519-K523 PolarHBondContact O-N 3.07Å; K523-E599 PolarHBondContact NZ-O 3.14Å; K523-L602 HydrophobicContact CD-CB 4.44Å; K523-L602 VanDerWaalsContact CE-O 3.23Å; K523-L602 WeakPolarHBondContact CE-O 3.42Å; K523-L604 HydrophobicContact CB-CD1 3.69Å; K523-L604 HydrophobicContact CB-CD2 4.13Å; K523-L604 HydrophobicContact CB-CG 3.81Å; K523-L604 HydrophobicContact CG-CD2 4.45Å; K523-L604 HydrophobicContact CG-CG 4.4Å
524	G	94.4	Very high	96.2	Very high	6 Å²	6	39.1 Å²	39.1	6%	0.062	17%	0.171	C	C	.	.			trans	75.8	-170.2	-171.9	0	0	0	0	0	112.8	M520 I526 L604	M520-G524 VanDerWaalsContact CA-O 3.27Å; M520-G524 WeakPolarHBondContact CA-O 3.27Å; M520-G524 WeakPolarHBondContact CB-O 3.49Å; M520-G524 VanDerWaalsContact CG-O 3.31Å; M520-G524 WeakPolarHBondContact CG-O 3.2Å; M520-G524 WeakPolarHBondContact O-CA 3.5Å; M520-G524 PolarHBondContact O-N 3.24Å; G524-I526 PolarHBondContact O-N 3.44Å; G524-L604 WeakPolarHBondContact O-CD1 3.03Å
525	R	94.4	Very high	96.2	Very high	108 Å²	108	42.8 Å²	42.8	41%	0.408	19%	0.189	S	C	.	.	S	Bend	trans	-61.7	134.6	-173.7	-174.4	176.6	177.6	172.8	0.6	112.8	Q544 C545	R525-Q544 PolarHBondContact NH2-O 3.08Å; R525-C545 VanDerWaalsContact NH2-C 3.28Å; R525-C545 PolarHBondContact NH2-O 3.15Å
526	I	96	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-62.3	127.9	170.1	-58.2	176.6	0	0	0	109.2	L480 L516 M520 G524 G528 V530 I531 F541 L604	L480-I526 HydrophobicContact CD1-CD1 4.11Å; L480-I526 HydrophobicContact CD1-CG2 4.32Å; L516-I526 HydrophobicContact CD2-CD1 3.76Å; M520-I526 HydrophobicContact CG-CD1 4.41Å; M520-I526 HydrophobicContact CG-CG1 3.9Å; M520-I526 HydrophobicContact SD-CD1 4.4Å; M520-I526 HydrophobicContact SD-CG1 4Å; G524-I526 PolarHBondContact O-N 3.44Å; I526-G528 PolarHBondContact O-N 3.32Å; I526-V530 HydrophobicContact CG2-CB 4.05Å; I526-V530 HydrophobicContact CG2-CG1 4.16Å; I526-I531 HydrophobicContact CB-CD1 4.1Å; I526-I531 HydrophobicContact CB-CG1 4.08Å; I526-I531 HydrophobicContact CG2-CD1 4.26Å; I526-I531 HydrophobicContact CG2-CG1 3.72Å; I526-I531 WeakPolarHBondContact O-CD1 3.47Å; I526-F541 HydrophobicContact CD1-CE2 4.48Å; I526-F541 HydrophobicContact CD1-CZ 4.06Å; I526-L604 HydrophobicContact CG1-CD1 3.92Å; I526-L604 HydrophobicContact CG1-CD2 4.33Å; I526-L604 HydrophobicContact CG1-CG 4.49Å
527	P	95.3	Very high	96.1	Very high	49 Å²	49	50 Å²	50	32%	0.318	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-56.7	132.6	179.2	-26.1	34.5	0	0	0	111.9	R529 V530 I531	P527-R529 HydrophobicContact CB-CG 4.03Å; P527-R529 PolarHBondContact O-N 3.18Å; P527-V530 HydrophobicContact CB-CG2 4.24Å; P527-V530 HydrophobicContact CG-CG2 4.48Å; P527-V530 WeakPolarHBondContact O-CB 3.43Å; P527-V530 PolarHBondContact O-N 2.86Å; P527-I531 PolarHBondContact O-N 3.36Å
528	G	95.3	Very high	96	Very high	20 Å²	20	50.7 Å²	50.7	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-55.9	-27.6	-179	0	0	0	0	0	114	I526 V530 I531 R532	I526-G528 PolarHBondContact O-N 3.32Å; G528-V530 VanDerWaalsContact C-N 3.32Å; G528-V530 PolarHBondContact O-N 3.1Å; G528-I531 PolarHBondContact O-N 2.98Å; G528-R532 WeakPolarHBondContact O-CB 3.28Å; G528-R532 WeakPolarHBondContact O-CG 3.39Å; G528-R532 PolarHBondContact O-N 3.31Å; G528-R532 PolarHBondContact O-NH1 3.44Å
529	R	95.8	Very high	96	Very high	115 Å²	115	54 Å²	54	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-34.4	173.5	71.1	179.8	-172.7	-163.8	-1.5	113.4	P527 R533 D605	P527-R529 HydrophobicContact CB-CG 4.03Å; P527-R529 PolarHBondContact O-N 3.18Å; R529-R533 WeakPolarHBondContact O-CG 3.17Å; R529-D605 IonicContact CZ-OD2 3.41Å; R529-D605 IonicContact NE-OD2 2.75Å; R529-D605 PolarHBondContact NE-OD2 2.74Å; R529-D605 IonicContact NH2-OD2 2.66Å; R529-D605 PolarHBondContact NH2-OD2 3.04Å
530	V	96.8	Very high	95.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-76.4	-46.5	178	179.3	0	0	0	0	108.9	L480 V482 I526 P527 G528 R532 R533 D605	L480-V530 HydrophobicContact CD1-CG1 4.46Å; V482-V530 HydrophobicContact CG2-CG1 4.37Å; I526-V530 HydrophobicContact CG2-CB 4.05Å; I526-V530 HydrophobicContact CG2-CG1 4.16Å; P527-V530 HydrophobicContact CB-CG2 4.24Å; P527-V530 HydrophobicContact CG-CG2 4.48Å; P527-V530 WeakPolarHBondContact O-CB 3.43Å; P527-V530 PolarHBondContact O-N 2.86Å; G528-V530 VanDerWaalsContact C-N 3.32Å; G528-V530 PolarHBondContact O-N 3.1Å; V530-R532 VanDerWaalsContact C-N 3.32Å; V530-R532 PolarHBondContact O-N 2.82Å; V530-R533 WeakPolarHBondContact O-CB 3.47Å; V530-R533 PolarHBondContact O-N 2.96Å; V530-R533 VanDerWaalsContact O-N 3.09Å; V530-D605 HydrophobicContact CG2-CB 3.77Å
531	I	97.2	Very high	95.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-55.1	-47.2	177.9	-62.6	168.1	0	0	0	111	I526 P527 G528 R533 G534 R537 F541 C545	I526-I531 HydrophobicContact CB-CD1 4.1Å; I526-I531 HydrophobicContact CB-CG1 4.08Å; I526-I531 HydrophobicContact CG2-CD1 4.26Å; I526-I531 HydrophobicContact CG2-CG1 3.72Å; I526-I531 WeakPolarHBondContact O-CD1 3.47Å; P527-I531 PolarHBondContact O-N 3.36Å; G528-I531 PolarHBondContact O-N 2.98Å; I531-R533 PolarHBondContact O-N 3.3Å; I531-G534 PolarHBondContact O-N 2.89Å; I531-R537 HydrophobicContact CG2-CB 4.02Å; I531-R537 WeakPolarHBondContact O-CB 3.46Å; I531-R537 WeakPolarHBondContact O-CD 3.22Å; I531-F541 HydrophobicContact CD1-CD1 3.65Å; I531-F541 HydrophobicContact CD1-CD2 4.37Å; I531-F541 HydrophobicContact CD1-CE1 3.52Å; I531-F541 HydrophobicContact CD1-CE2 4.28Å; I531-F541 HydrophobicContact CD1-CG 4.09Å; I531-F541 HydrophobicContact CD1-CZ 3.87Å; I531-F541 HydrophobicContact CG1-CD1 4.43Å; I531-F541 HydrophobicContact CG1-CD2 4.29Å; I531-F541 HydrophobicContact CG1-CE1 4.31Å; I531-F541 HydrophobicContact CG1-CE2 4.2Å; I531-F541 HydrophobicContact CG1-CG 4.43Å; I531-F541 HydrophobicContact CG1-CZ 4.2Å; I531-F541 HydrophobicContact CG2-CB 3.88Å; I531-F541 HydrophobicContact CG2-CD1 4.38Å; I531-F541 HydrophobicContact CG2-CD2 3.84Å; I531-F541 HydrophobicContact CG2-CG 3.77Å; I531-C545 HydrophobicContact CD1-CB 3.92Å; I531-C545 HydrophobicContact CG2-CB 4.36Å
532	R	97	Very high	95.9	Very high	153 Å²	153	54.8 Å²	54.8	58%	0.577	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.7	-178.7	-76.2	-173.3	-67.1	-90.5	8.3	114.4	G528 V530 G534 R537	G528-R532 WeakPolarHBondContact O-CB 3.28Å; G528-R532 WeakPolarHBondContact O-CG 3.39Å; G528-R532 PolarHBondContact O-N 3.31Å; G528-R532 PolarHBondContact O-NH1 3.44Å; V530-R532 VanDerWaalsContact C-N 3.32Å; V530-R532 PolarHBondContact O-N 2.82Å; R532-G534 VanDerWaalsContact C-N 3.33Å; R532-R537 PolarHBondContact O-NH1 3.46Å; R532-R537 VanDerWaalsContact O-NH1 3.14Å
533	R	96.1	Very high	95.8	Very high	125 Å²	125	62.6 Å²	62.6	47%	0.472	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.9	174.7	-69.4	174.7	64.1	-166	-2.5	112.8	V482 R529 V530 I531	V482-R533 HydrophobicContact CG1-CB 4.24Å; V482-R533 HydrophobicContact CG2-CB 4.23Å; R529-R533 WeakPolarHBondContact O-CG 3.17Å; V530-R533 WeakPolarHBondContact O-CB 3.47Å; V530-R533 PolarHBondContact O-N 2.96Å; V530-R533 VanDerWaalsContact O-N 3.09Å; I531-R533 PolarHBondContact O-N 3.3Å
534	G	96.7	Very high	95.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.308	C	S	.	.			trans	-76.1	132.8	-176.3	0	0	0	0	0	112.7	L480 I531 R532 R537	L480-G534 CarbonylContact O-C 3.6Å; L480-G534 VanDerWaalsContact O-C 3.24Å; L480-G534 WeakPolarHBondContact O-CA 3.01Å; I531-G534 PolarHBondContact O-N 2.89Å; R532-G534 VanDerWaalsContact C-N 3.33Å; G534-R537 WeakPolarHBondContact O-CG 3.42Å; G534-R537 PolarHBondContact O-NH1 2.94Å
535	M	96	Very high	95.7	Very high	123 Å²	123	65.8 Å²	65.8	61%	0.606	31%	0.307	S	S	*	.	S	Bend	trans	-69.5	-35.9	172.8	-65.4	178.4	68.5	0	0	112.1	I464 L480 G481	I464-M535 HydrophobicContact CB-SD 4.04Å; I464-M535 HydrophobicContact CD1-SD 3.59Å; I464-M535 VanDerWaalsContact CD1-SD 3.59Å; I464-M535 HydrophobicContact CG1-SD 4.4Å; I464-M535 HydrophobicContact CG2-SD 3.88Å; L480-M535 PolarHBondContact O-N 3.03Å; L480-M535 VanDerWaalsContact O-N 3.1Å; G481-M535 WeakPolarHBondContact O-CG 3.23Å; G481-M535 PolarHBondContact O-N 3.36Å
536	F	96.7	Very high	95.8	Very high	38 Å²	38	61.8 Å²	61.8	17%	0.167	29%	0.294	C	S	.	.	S	Bend	trans	-96.5	11.4	-176.9	-49.6	-50.3	0	0	0	113.1	I464 P466 L480 G481 A538 Q539	I464-F536 HydrophobicContact CG2-CE2 3.89Å; I464-F536 HydrophobicContact CG2-CZ 4.23Å; P466-F536 HydrophobicContact CB-CD2 3.74Å; P466-F536 HydrophobicContact CB-CE2 3.83Å; P466-F536 VanDerWaalsContact CD-CE2 3.48Å; P466-F536 HydrophobicContact CG-CD2 4.19Å; P466-F536 HydrophobicContact CG-CE2 3.95Å; P466-F536 HydrophobicContact CG-CZ 4.31Å; L480-F536 PolarHBondContact O-N 3.23Å; G481-F536 VanDerWaalsContact CA-CD2 3.46Å; F536-A538 PolarHBondContact O-N 3.43Å; F536-A538 VanDerWaalsContact O-N 3.11Å; F536-Q539 WeakPolarHBondContact O-CB 3.16Å; F536-Q539 PolarHBondContact O-N 3.19Å
537	R	95.5	Very high	95.8	Very high	114 Å²	114	61.9 Å²	61.9	43%	0.43	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-54.1	-35.8	-176.4	70.1	-178.8	-179.7	-98.5	3.4	113.6	I531 R532 G534 Q539 H540 F541	I531-R537 HydrophobicContact CG2-CB 4.02Å; I531-R537 WeakPolarHBondContact O-CB 3.46Å; I531-R537 WeakPolarHBondContact O-CD 3.22Å; R532-R537 PolarHBondContact O-NH1 3.46Å; R532-R537 VanDerWaalsContact O-NH1 3.14Å; G534-R537 WeakPolarHBondContact O-CG 3.42Å; G534-R537 PolarHBondContact O-NH1 2.94Å; R537-Q539 PolarHBondContact O-N 3.34Å; R537-Q539 VanDerWaalsContact O-N 3.16Å; R537-H540 PolarHBondContact O-N 3.31Å; R537-F541 PolarHBondContact O-N 3.44Å
538	A	95.5	Very high	95.8	Very high	80 Å²	80	60.6 Å²	60.6	66%	0.661	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-65.7	-16.9	-177.6	0	0	0	0	0	113.5	F536 H540	F536-A538 PolarHBondContact O-N 3.43Å; F536-A538 VanDerWaalsContact O-N 3.11Å; A538-H540 VanDerWaalsContact C-N 3.28Å
539	Q	95.7	Very high	95.8	Very high	93 Å²	93	60.7 Å²	60.7	44%	0.435	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-79.5	-12.5	174.8	-58.2	178.4	11.3	0	0	112.9	F536 R537 H550	F536-Q539 WeakPolarHBondContact O-CB 3.16Å; F536-Q539 PolarHBondContact O-N 3.19Å; R537-Q539 PolarHBondContact O-N 3.34Å; R537-Q539 VanDerWaalsContact O-N 3.16Å; Q539-H550 PolarHBondContact O-CE1 3.23Å; Q539-H550 PolarHBondContact O-NE2 2.92Å
540	H	96.7	Very high	95.6	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.028	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	-20.8	-169.1	-59	-55.4	0	0	0	113.5	N513 L516 R537 A538 F547 L548	N513-H540 PolarHBondContact ND2-ND1 3.43Å; L516-H540 HydrophobicContact CD1-CB 3.7Å; L516-H540 VanDerWaalsContact CD1-CG 3.43Å; R537-H540 PolarHBondContact O-N 3.31Å; A538-H540 VanDerWaalsContact C-N 3.28Å; H540-F547 VanDerWaalsContact O-CD2 3.25Å; H540-F547 WeakPolarHBondContact O-CD2 3.45Å; H540-L548 PolarHBondContact O-N 3.34Å
541	F	97	Very high	95.1	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.031	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-139.6	146	-174.5	-64.8	-86.5	0	0	0	111.4	L480 L516 M520 I526 I531 R537 N546 F547	L480-F541 HydrophobicContact CD2-CD2 4.02Å; L480-F541 HydrophobicContact CD2-CE2 3.65Å; L516-F541 HydrophobicContact CD1-CE2 4.17Å; M520-F541 HydrophobicContact CE-CZ 4.27Å; M520-F541 HydrophobicContact SD-CE1 4.44Å; M520-F541 HydrophobicContact SD-CZ 4.32Å; I526-F541 HydrophobicContact CD1-CE2 4.48Å; I526-F541 HydrophobicContact CD1-CZ 4.06Å; I531-F541 HydrophobicContact CD1-CD1 3.65Å; I531-F541 HydrophobicContact CD1-CD2 4.37Å; I531-F541 HydrophobicContact CD1-CE1 3.52Å; I531-F541 HydrophobicContact CD1-CE2 4.28Å; I531-F541 HydrophobicContact CD1-CG 4.09Å; I531-F541 HydrophobicContact CD1-CZ 3.87Å; I531-F541 HydrophobicContact CG1-CD1 4.43Å; I531-F541 HydrophobicContact CG1-CD2 4.29Å; I531-F541 HydrophobicContact CG1-CE1 4.31Å; I531-F541 HydrophobicContact CG1-CE2 4.2Å; I531-F541 HydrophobicContact CG1-CG 4.43Å; I531-F541 HydrophobicContact CG1-CZ 4.2Å; I531-F541 HydrophobicContact CG2-CB 3.88Å; I531-F541 HydrophobicContact CG2-CD1 4.38Å; I531-F541 HydrophobicContact CG2-CD2 3.84Å; I531-F541 HydrophobicContact CG2-CG 3.77Å; R537-F541 PolarHBondContact O-N 3.44Å; F541-N546 CarbonylContact C-O 3.51Å; F541-N546 WeakPolarHBondContact CA-O 3.33Å; F541-N546 WeakPolarHBondContact CD1-O 3.42Å; F541-F547 HydrophobicContact CD1-CB 4.2Å; F541-F547 HydrophobicContact CD1-CD2 4.31Å; F541-F547 HydrophobicContact CE1-CB 3.86Å; F541-F547 AromaticContact CE1-CD2 3.76Å; F541-F547 HydrophobicContact CE1-CD2 3.76Å; F541-F547 HydrophobicContact CE1-CG 4.29Å; F541-F547 HydrophobicContact CE2-CD2 4.27Å; F541-F547 AromaticContact CZ-CD2 3.73Å; F541-F547 HydrophobicContact CZ-CD2 3.73Å; F541-F547 HydrophobicContact CZ-CE2 4.46Å
542	D	94.7	Very high	94.5	Very high	39 Å²	39	65.4 Å²	65.4	21%	0.209	31%	0.311	C	S	.	.			trans	-77.1	178.5	168.6	69.7	14.7	0	0	0	112.1	Q544 C545 N546 L548	D542-Q544 PolarHBondContact O-N 3.29Å; D542-Q544 WeakPolarHBondContact OD1-CA 3.5Å; D542-Q544 PolarHBondContact OD1-N 3.07Å; D542-C545 PolarHBondContact O-N 3.43Å; D542-C545 PolarHBondContact OD1-N 3.35Å; D542-N546 PolarHBondContact N-O 3.46Å; D542-N546 WeakPolarHBondContact OD1-CB 3.27Å; D542-N546 PolarHBondContact OD1-N 3.13Å; D542-N546 PolarHBondContact OD1-ND2 3.43Å; D542-N546 VanDerWaalsContact OD2-CB 3.3Å; D542-N546 WeakPolarHBondContact OD2-CB 3.48Å; D542-N546 PolarHBondContact OD2-ND2 3.08Å; D542-L548 HydrophobicContact CB-CD2 4.17Å; D542-L548 HydrophobicContact CB-CG 4.5Å
543	E	93.3	Very high	93.9	Very high	179 Å²	179	60.7 Å²	60.7	84%	0.836	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.1	178.3	-64	-178.3	169.9	0	0	112.8	C545	E543-C545 PolarHBondContact O-N 2.94Å
544	Q	94.1	Very high	93.4	Very high	123 Å²	123	64 Å²	64	58%	0.575	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	9.2	176.8	-62.4	76.1	29.4	0	0	112.6	R525 D542 N546	R525-Q544 PolarHBondContact NH2-O 3.08Å; D542-Q544 PolarHBondContact O-N 3.29Å; D542-Q544 WeakPolarHBondContact OD1-CA 3.5Å; D542-Q544 PolarHBondContact OD1-N 3.07Å; Q544-N546 PolarHBondContact O-N 2.94Å
545	C	94.5	Very high	93	Very high	7 Å²	7	70.3 Å²	70.3	5%	0.047	35%	0.353	C	S	.	.			trans	60.6	25.4	-177.9	-56.5	0	0	0	0	113.8	R525 I531 D542 E543	R525-C545 VanDerWaalsContact NH2-C 3.28Å; R525-C545 PolarHBondContact NH2-O 3.15Å; I531-C545 HydrophobicContact CD1-CB 3.92Å; I531-C545 HydrophobicContact CG2-CB 4.36Å; D542-C545 PolarHBondContact O-N 3.43Å; D542-C545 PolarHBondContact OD1-N 3.35Å; E543-C545 PolarHBondContact O-N 2.94Å
546	N	95.2	Very high	92.6	Very high	23 Å²	23	67.9 Å²	67.9	12%	0.123	35%	0.346	C	S	.	.			trans	-80.5	145.2	168.4	-49.4	-57	0	0	0	109.3	F541 D542 Q544 V563 R565	F541-N546 CarbonylContact C-O 3.51Å; F541-N546 WeakPolarHBondContact CA-O 3.33Å; F541-N546 WeakPolarHBondContact CD1-O 3.42Å; D542-N546 PolarHBondContact N-O 3.46Å; D542-N546 WeakPolarHBondContact OD1-CB 3.27Å; D542-N546 PolarHBondContact OD1-N 3.13Å; D542-N546 PolarHBondContact OD1-ND2 3.43Å; D542-N546 VanDerWaalsContact OD2-CB 3.3Å; D542-N546 WeakPolarHBondContact OD2-CB 3.48Å; D542-N546 PolarHBondContact OD2-ND2 3.08Å; Q544-N546 PolarHBondContact O-N 2.94Å; N546-V563 HydrophobicContact CB-CG1 3.79Å; N546-R565 HydrophobicContact CB-CG 4.44Å
547	F	96.9	Very high	92.1	Very high	2 Å²	2	72.9 Å²	72.9	1%	0.009	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.3	-174.9	-178.2	-116.4	0	0	0	110.9	N513 L516 R517 M520 H540 F541 Y549 I564 L567	N513-F547 WeakPolarHBondContact O-CZ 3.43Å; L516-F547 HydrophobicContact CB-CE2 3.96Å; L516-F547 HydrophobicContact CB-CZ 4.4Å; L516-F547 HydrophobicContact CD1-CE2 4.49Å; R517-F547 HydrophobicContact CB-CE1 3.78Å; R517-F547 HydrophobicContact CB-CZ 3.89Å; R517-F547 HydrophobicContact CG-CE1 4.28Å; M520-F547 HydrophobicContact CE-CB 4.03Å; M520-F547 HydrophobicContact CE-CD1 3.83Å; M520-F547 HydrophobicContact CE-CD2 3.38Å; M520-F547 HydrophobicContact CE-CE1 4.07Å; M520-F547 HydrophobicContact CE-CE2 3.67Å; M520-F547 HydrophobicContact CE-CG 3.47Å; M520-F547 VanDerWaalsContact CE-CG 3.47Å; M520-F547 HydrophobicContact CE-CZ 4.01Å; H540-F547 VanDerWaalsContact O-CD2 3.25Å; H540-F547 WeakPolarHBondContact O-CD2 3.45Å; F541-F547 HydrophobicContact CD1-CB 4.2Å; F541-F547 HydrophobicContact CD1-CD2 4.31Å; F541-F547 HydrophobicContact CE1-CB 3.86Å; F541-F547 AromaticContact CE1-CD2 3.76Å; F541-F547 HydrophobicContact CE1-CD2 3.76Å; F541-F547 HydrophobicContact CE1-CG 4.29Å; F541-F547 HydrophobicContact CE2-CD2 4.27Å; F541-F547 AromaticContact CZ-CD2 3.73Å; F541-F547 HydrophobicContact CZ-CD2 3.73Å; F541-F547 HydrophobicContact CZ-CE2 4.46Å; F547-Y549 AromaticContact CE1-CD2 3.66Å; F547-Y549 HydrophobicContact CE1-CD2 3.66Å; F547-Y549 HydrophobicContact CE1-CG 4.03Å; F547-Y549 HydrophobicContact CZ-CD2 4.08Å; F547-I564 HydrophobicContact CD1-CD1 4.19Å; F547-I564 HydrophobicContact CD1-CG1 4.49Å; F547-I564 PolarHBondContact N-O 3.43Å; F547-I564 PolarHBondContact O-N 3.38Å; F547-L567 HydrophobicContact CB-CD1 3.58Å; F547-L567 HydrophobicContact CD1-CD1 3.93Å; F547-L567 HydrophobicContact CG-CD1 3.98Å
548	L	96	Very high	91.8	Very high	22 Å²	22	74.6 Å²	74.6	12%	0.115	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	94.4	176.8	-59.2	179.1	0	0	0	108	N513 H540 D542 H550 M561 V563	N513-L548 PolarHBondContact ND2-O 3.42Å; H540-L548 PolarHBondContact O-N 3.34Å; D542-L548 HydrophobicContact CB-CD2 4.17Å; D542-L548 HydrophobicContact CB-CG 4.5Å; L548-H550 PolarHBondContact O-CD2 2.86Å; L548-M561 HydrophobicContact CB-CE 4.02Å; L548-M561 HydrophobicContact CD1-CE 3.85Å; L548-M561 HydrophobicContact CG-CE 4.39Å; L548-V563 HydrophobicContact CD2-CG1 4.47Å; L548-V563 HydrophobicContact CD2-CG2 3.79Å
549	Y	94.8	Very high	91.3	Very high	22 Å²	22	78.5 Å²	78.5	9%	0.086	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.7	180	-172.8	-125.8	0	0	0	110.9	N513 R517 F547 E551 M561 T562 I564	N513-Y549 WeakPolarHBondContact OD1-CD2 3.22Å; R517-Y549 HydrophobicContact CB-CD2 4.19Å; R517-Y549 HydrophobicContact CB-CE2 4.14Å; R517-Y549 HydrophobicContact CG-CD2 4.39Å; R517-Y549 HydrophobicContact CG-CE2 4.32Å; R517-Y549 VanDerWaalsContact NH1-CD1 3.34Å; R517-Y549 VanDerWaalsContact NH1-CZ 3.31Å; F547-Y549 AromaticContact CE1-CD2 3.66Å; F547-Y549 HydrophobicContact CE1-CD2 3.66Å; F547-Y549 HydrophobicContact CE1-CG 4.03Å; F547-Y549 HydrophobicContact CZ-CD2 4.08Å; Y549-E551 HydrophobicContact CD1-CG 3.32Å; Y549-E551 WeakPolarHBondContact CD1-OE1 3.15Å; Y549-E551 HydrophobicContact CE1-CB 4.44Å; Y549-E551 VanDerWaalsContact CE1-CD 3.46Å; Y549-E551 HydrophobicContact CE1-CG 3.03Å; Y549-E551 WeakPolarHBondContact CE1-OE1 3.25Å; Y549-E551 HydrophobicContact CG-CG 4.41Å; Y549-M561 WeakPolarHBondContact O-CA 3.47Å; Y549-T562 PolarHBondContact N-O 3.32Å; Y549-T562 PolarHBondContact O-N 2.86Å; Y549-T562 PolarHBondContact O-OG1 2.99Å; Y549-I564 HydrophobicContact CG-CD1 4.3Å
550	H	91.4	Very high	91	Very high	62 Å²	62	79.5 Å²	79.5	29%	0.287	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	107.8	-179.5	-60	-176.9	0	0	0	109	N513 Q539 L548	N513-H550 PolarHBondContact OD1-N 3.38Å; N513-H550 VanDerWaalsContact OD1-N 3.11Å; Q539-H550 PolarHBondContact O-CE1 3.23Å; Q539-H550 PolarHBondContact O-NE2 2.92Å; L548-H550 PolarHBondContact O-CD2 2.86Å
551	E	86.8	Confident	90.7	Very high	75 Å²	75	84.5 Å²	84.5	35%	0.35	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144.4	173.4	-69.8	-178.9	176.9	0	0	109.7	R517 Y549 K560	R517-E551 IonicContact NH1-OE1 3.33Å; Y549-E551 HydrophobicContact CD1-CG 3.32Å; Y549-E551 WeakPolarHBondContact CD1-OE1 3.15Å; Y549-E551 HydrophobicContact CE1-CB 4.44Å; Y549-E551 VanDerWaalsContact CE1-CD 3.46Å; Y549-E551 HydrophobicContact CE1-CG 3.03Å; Y549-E551 WeakPolarHBondContact CE1-OE1 3.25Å; Y549-E551 HydrophobicContact CG-CG 4.41Å; E551-K560 PolarHBondContact N-O 2.87Å; E551-K560 PolarHBondContact O-N 3.41Å
552	V	84.5	Confident	90.4	Very high	81 Å²	81	86 Å²	86	49%	0.491	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.6	163.3	-177.5	0	0	0	0	107.1	K554	V552-K554 PolarHBondContact O-N 3.13Å
553	D	84.1	Confident	90.3	Very high	54 Å²	54	87.4 Å²	87.4	29%	0.289	43%	0.432	S	S	.	.			trans	-62.8	120	174.9	174.9	3	0	0	0	109.4	V555 T556 Q557 K558	D553-V555 PolarHBondContact O-N 2.86Å; D553-V555 VanDerWaalsContact O-N 3.14Å; D553-V555 PolarHBondContact OD1-N 3.22Å; D553-T556 WeakPolarHBondContact CB-OG1 3.24Å; D553-T556 PolarHBondContact O-N 3.26Å; D553-T556 WeakPolarHBondContact OD2-CG2 3.43Å; D553-T556 PolarHBondContact OD2-OG1 3.01Å; D553-Q557 VanDerWaalsContact O-CA 3.3Å; D553-Q557 WeakPolarHBondContact O-CA 3.28Å; D553-Q557 PolarHBondContact O-N 3.16Å; D553-K558 PolarHBondContact N-O 3.27Å
554	K	85.7	Confident	90.2	Very high	195 Å²	195	81 Å²	81	85%	0.848	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.8	-175.4	-63.1	-177.8	-178.6	179.2	0	113	V552	V552-K554 PolarHBondContact O-N 3.13Å
555	V	88.4	Confident	89.7	Confident	131 Å²	131	83.8 Å²	83.8	79%	0.794	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-51.2	-178.6	-176	0	0	0	0	110.6	D553	D553-V555 PolarHBondContact O-N 2.86Å; D553-V555 VanDerWaalsContact O-N 3.14Å; D553-V555 PolarHBondContact OD1-N 3.22Å
556	T	87.8	Confident	89.2	Confident	73 Å²	73	89.3 Å²	89.3	45%	0.448	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-12.8	-172.4	62.5	0	0	0	0	114.2	D553 K558	D553-T556 WeakPolarHBondContact CB-OG1 3.24Å; D553-T556 PolarHBondContact O-N 3.26Å; D553-T556 WeakPolarHBondContact OD2-CG2 3.43Å; D553-T556 PolarHBondContact OD2-OG1 3.01Å; T556-K558 PolarHBondContact O-N 3.41Å; T556-K558 VanDerWaalsContact O-N 3.11Å; T556-K558 PolarHBondContact OG1-N 3.37Å
557	Q	86.2	Confident	88.6	Confident	143 Å²	143	89.3 Å²	89.3	67%	0.668	44%	0.437	S	S	*	.			trans	54.5	20.8	-170.7	-63	-67.3	-20.6	0	0	113.4	D553	D553-Q557 VanDerWaalsContact O-CA 3.3Å; D553-Q557 WeakPolarHBondContact O-CA 3.28Å; D553-Q557 PolarHBondContact O-N 3.16Å
558	K	87.8	Confident	88.2	Confident	150 Å²	150	94.7 Å²	94.7	65%	0.652	46%	0.462	S	S	*	.			trans	-97.2	147.3	176.2	-67.6	-175.7	179	-178.4	0	110.2	D553 T556 K560	D553-K558 PolarHBondContact N-O 3.27Å; T556-K558 PolarHBondContact O-N 3.41Å; T556-K558 VanDerWaalsContact O-N 3.11Å; T556-K558 PolarHBondContact OG1-N 3.37Å; K558-K560 PolarHBondContact O-N 3.37Å
559	E	85.3	Confident	87.9	Confident	162 Å²	162	97.1 Å²	97.1	76%	0.757	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	122.6	171	-66.3	-173.9	164.3	0	0	109.8
560	K	89.5	Confident	87.8	Confident	114 Å²	114	101.3 Å²	101.3	50%	0.496	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.6	174.7	-177.9	-176.6	177.9	-174.8	0	108.2	E551 K558 T562	E551-K560 PolarHBondContact N-O 2.87Å; E551-K560 PolarHBondContact O-N 3.41Å; K558-K560 PolarHBondContact O-N 3.37Å; K560-T562 HydrophobicContact CD-CG2 4.39Å; K560-T562 HydrophobicContact CG-CG2 4.31Å
561	M	90.6	Very high	87.9	Confident	110 Å²	110	101 Å²	101	54%	0.542	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.2	173.4	-63.6	176.7	66.2	0	0	109.6	L548 Y549	L548-M561 HydrophobicContact CB-CE 4.02Å; L548-M561 HydrophobicContact CD1-CE 3.85Å; L548-M561 HydrophobicContact CG-CE 4.39Å; Y549-M561 WeakPolarHBondContact O-CA 3.47Å
562	T	91.5	Very high	88.2	Confident	38 Å²	38	101.4 Å²	101.4	23%	0.233	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.7	174.6	59.5	0	0	0	0	110.2	Y549 K560	Y549-T562 PolarHBondContact N-O 3.32Å; Y549-T562 PolarHBondContact O-N 2.86Å; Y549-T562 PolarHBondContact O-OG1 2.99Å; K560-T562 HydrophobicContact CD-CG2 4.39Å; K560-T562 HydrophobicContact CG-CG2 4.31Å
563	V	92.6	Very high	88.7	Confident	69 Å²	69	97.9 Å²	97.9	42%	0.418	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.7	179	-173.9	0	0	0	0	108.9	N546 L548 R565	N546-V563 HydrophobicContact CB-CG1 3.79Å; L548-V563 HydrophobicContact CD2-CG1 4.47Å; L548-V563 HydrophobicContact CD2-CG2 3.79Å; V563-R565 HydrophobicContact CG1-CG 4.21Å
564	I	90.1	Very high	89.2	Confident	44 Å²	44	96.5 Å²	96.5	23%	0.226	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	107.2	177.5	-44.5	-176.9	0	0	0	109	F547 Y549 L567	F547-I564 HydrophobicContact CD1-CD1 4.19Å; F547-I564 HydrophobicContact CD1-CG1 4.49Å; F547-I564 PolarHBondContact N-O 3.43Å; F547-I564 PolarHBondContact O-N 3.38Å; Y549-I564 HydrophobicContact CG-CD1 4.3Å; I564-L567 HydrophobicContact CB-CD1 4.38Å; I564-L567 HydrophobicContact CB-CD2 4.41Å; I564-L567 HydrophobicContact CB-CG 4.17Å; I564-L567 HydrophobicContact CD1-CD2 4.37Å; I564-L567 HydrophobicContact CG2-CD1 4.33Å; I564-L567 HydrophobicContact CG2-CD2 3.72Å; I564-L567 HydrophobicContact CG2-CG 3.59Å
565	R	84.5	Confident	89.6	Confident	183 Å²	183	91.4 Å²	91.4	69%	0.691	46%	0.464	S	S	*	.			trans	-87.1	-34.7	-176.7	-61.3	-174.7	-177.5	116.5	-0.2	113.5	N546 V563	N546-R565 HydrophobicContact CB-CG 4.44Å; V563-R565 HydrophobicContact CG1-CG 4.21Å
566	N	83.1	Confident	89.8	Confident	122 Å²	122	87.4 Å²	87.4	65%	0.652	44%	0.438	S	S	*	.			trans	-119.6	79.3	-175.7	-168.9	19.9	0	0	0	110.6	Q568	N566-Q568 PolarHBondContact OD1-NE2 3.32Å
567	L	83.2	Confident	90.2	Very high	24 Å²	24	84.3 Å²	84.3	13%	0.126	42%	0.419	C	S	.	.			trans	-85.8	108.5	172.1	-78.4	160.9	0	0	0	109.1	M520 F547 I564	M520-L567 HydrophobicContact CB-CD1 4.5Å; M520-L567 HydrophobicContact CE-CD1 3.54Å; M520-L567 HydrophobicContact SD-CD1 3.68Å; F547-L567 HydrophobicContact CB-CD1 3.58Å; F547-L567 HydrophobicContact CD1-CD1 3.93Å; F547-L567 HydrophobicContact CG-CD1 3.98Å; I564-L567 HydrophobicContact CB-CD1 4.38Å; I564-L567 HydrophobicContact CB-CD2 4.41Å; I564-L567 HydrophobicContact CB-CG 4.17Å; I564-L567 HydrophobicContact CD1-CD2 4.37Å; I564-L567 HydrophobicContact CG2-CD1 4.33Å; I564-L567 HydrophobicContact CG2-CD2 3.72Å; I564-L567 HydrophobicContact CG2-CG 3.59Å
568	Q	87.6	Confident	90.5	Very high	114 Å²	114	79.6 Å²	79.6	53%	0.533	40%	0.398	S	S	.	.			trans	-97.6	149.4	169.7	-63.6	-59.5	-32.4	0	0	109.5	N566 T570	N566-Q568 PolarHBondContact OD1-NE2 3.32Å; Q568-T570 PolarHBondContact O-N 3.22Å; Q568-T570 VanDerWaalsContact O-N 3.13Å
569	P	91.3	Very high	90.3	Very high	73 Å²	73	74.9 Å²	74.9	47%	0.474	39%	0.392	S	S	.	.			trans	-58.5	117.7	169.7	-15.8	27.5	0	0	0	109.3	E521	E521-P569 CarbonylContact O-C 3.12Å; E521-P569 VanDerWaalsContact O-CA 3.28Å; E521-P569 WeakPolarHBondContact O-CA 3.34Å
570	T	92.5	Very high	89.9	Confident	111 Å²	111	76.9 Å²	76.9	68%	0.681	40%	0.401	S	S	*	.			trans	-103.3	-15.4	178.2	51.9	0	0	0	0	112.3	E521 Q568	E521-T570 PolarHBondContact O-N 3.25Å; Q568-T570 PolarHBondContact O-N 3.22Å; Q568-T570 VanDerWaalsContact O-N 3.13Å
571	R	93.6	Very high	89.3	Confident	55 Å²	55	74.9 Å²	74.9	21%	0.208	40%	0.401	C	S	.	.	S	Bend	trans	-116.5	119.2	-177.4	-148.5	-174.8	87.2	-167.8	11.8	109.5	M506 E521 V522 D576	M506-R571 PolarHBondContact O-NH1 3.44Å; E521-R571 PolarHBondContact O-N 2.75Å; V522-R571 HydrophobicContact CG2-CB 4.13Å; R571-D576 IonicContact CZ-OD2 2.75Å; R571-D576 IonicContact NE-OD1 3.38Å; R571-D576 IonicContact NE-OD2 3.19Å; R571-D576 PolarHBondContact NE-OD2 2.76Å; R571-D576 IonicContact NH2-OD2 3.33Å; R571-D576 PolarHBondContact NH2-OD2 3.29Å
572	D	93.2	Very high	88.8	Confident	83 Å²	83	80 Å²	80	44%	0.444	42%	0.421	S	S	.	.			trans	-90.4	124.6	177.8	170.2	41.5	0	0	0	110.8	M574 T575 D576	D572-M574 VanDerWaalsContact C-N 3.29Å; D572-M574 PolarHBondContact O-N 2.74Å; D572-M574 PolarHBondContact OD1-N 3.27Å; D572-M574 WeakPolarHBondContact OD2-CB 3.49Å; D572-T575 PolarHBondContact O-N 3.46Å; D572-T575 WeakPolarHBondContact OD2-CB 3.49Å; D572-T575 PolarHBondContact OD2-N 3.33Å; D572-T575 PolarHBondContact OD2-OG1 3.07Å; D572-D576 PolarHBondContact O-N 3Å; D572-D576 VanDerWaalsContact O-N 3.13Å
573	L	94.1	Very high	88.5	Confident	7 Å²	7	80.8 Å²	80.8	4%	0.037	42%	0.423	C	S	.	.	H	α-helix	trans	-64.6	-34.4	-178.9	-174.4	61.6	0	0	0	112	F498 M506 D576 L577 R595 L598 E599	F498-L573 HydrophobicContact CD2-CD1 3.8Å; F498-L573 HydrophobicContact CE2-CD1 3.66Å; M506-L573 HydrophobicContact CE-CD1 3.6Å; L573-D576 PolarHBondContact O-N 2.96Å; L573-L577 HydrophobicContact CD1-CG 4.41Å; L573-L577 HydrophobicContact CG-CD1 4.08Å; L573-L577 HydrophobicContact CG-CG 4.41Å; L573-L577 WeakPolarHBondContact O-CG 3.46Å; L573-L577 PolarHBondContact O-N 3.23Å; L573-R595 HydrophobicContact CB-CG 4.38Å; L573-R595 HydrophobicContact CD2-CG 4.04Å; L573-R595 HydrophobicContact CG-CG 4.11Å; L573-L598 HydrophobicContact CD2-CB 3.91Å; L573-L598 HydrophobicContact CD2-CD1 4.39Å; L573-E599 HydrophobicContact CD2-CG 4.16Å
574	M	95.1	Very high	88.3	Confident	26 Å²	26	80.5 Å²	80.5	13%	0.128	42%	0.424	C	S	.	.	H	α-helix	trans	-66.8	-43.5	179.5	-171.7	58.4	165.5	0	0	111.1	D572 D576 L577 I578 F588 V591 T592 R595	D572-M574 VanDerWaalsContact C-N 3.29Å; D572-M574 PolarHBondContact O-N 2.74Å; D572-M574 PolarHBondContact OD1-N 3.27Å; D572-M574 WeakPolarHBondContact OD2-CB 3.49Å; M574-D576 VanDerWaalsContact C-N 3.33Å; M574-D576 PolarHBondContact O-N 3.33Å; M574-L577 PolarHBondContact O-N 3.13Å; M574-I578 HydrophobicContact CE-CD1 3.79Å; M574-I578 HydrophobicContact CE-CG1 4.38Å; M574-I578 HydrophobicContact CG-CD1 3.88Å; M574-I578 WeakPolarHBondContact O-CG1 3.37Å; M574-I578 PolarHBondContact O-N 3.21Å; M574-I578 HydrophobicContact SD-CD1 4.08Å; M574-I578 HydrophobicContact SD-CG1 4.37Å; M574-F588 HydrophobicContact CE-CD2 4.19Å; M574-F588 HydrophobicContact CE-CE1 4.33Å; M574-F588 HydrophobicContact CE-CE2 3.47Å; M574-F588 VanDerWaalsContact CE-CE2 3.47Å; M574-F588 HydrophobicContact CE-CZ 3.54Å; M574-V591 HydrophobicContact SD-CG1 4.35Å; M574-T592 WeakPolarHBondContact CE-OG1 3.29Å; M574-R595 HydrophobicContact CB-CG 4.48Å; M574-R595 HydrophobicContact SD-CB 4.36Å; M574-R595 HydrophobicContact SD-CG 4.42Å
575	T	93.7	Very high	88.3	Confident	88 Å²	88	85.1 Å²	85.1	54%	0.54	45%	0.445	S	S	.	.	H	α-helix	trans	-57.8	-44.7	174.2	-59.2	0	0	0	0	111.5	D572 L577 I578 G579	D572-T575 PolarHBondContact O-N 3.46Å; D572-T575 WeakPolarHBondContact OD2-CB 3.49Å; D572-T575 PolarHBondContact OD2-N 3.33Å; D572-T575 PolarHBondContact OD2-OG1 3.07Å; T575-L577 VanDerWaalsContact C-N 3.34Å; T575-L577 PolarHBondContact O-N 3.47Å; T575-I578 PolarHBondContact O-N 3.49Å; T575-G579 PolarHBondContact O-N 3.12Å
576	D	93.5	Very high	88.6	Confident	47 Å²	47	78 Å²	78	25%	0.251	42%	0.422	S	S	.	.	H	α-helix	trans	-61.3	-40.6	176.4	-68.2	-17.9	0	0	0	112.7	F498 R571 D572 L573 M574	F498-D576 HydrophobicContact CE2-CB 3.84Å; F498-D576 HydrophobicContact CZ-CB 3.9Å; R571-D576 IonicContact CZ-OD2 2.75Å; R571-D576 IonicContact NE-OD1 3.38Å; R571-D576 IonicContact NE-OD2 3.19Å; R571-D576 PolarHBondContact NE-OD2 2.76Å; R571-D576 IonicContact NH2-OD2 3.33Å; R571-D576 PolarHBondContact NH2-OD2 3.29Å; D572-D576 PolarHBondContact O-N 3Å; D572-D576 VanDerWaalsContact O-N 3.13Å; L573-D576 PolarHBondContact O-N 2.96Å; M574-D576 VanDerWaalsContact C-N 3.33Å; M574-D576 PolarHBondContact O-N 3.33Å
577	L	94.9	Very high	89.1	Confident	8 Å²	8	74 Å²	74	4%	0.042	40%	0.401	C	S	.	.	H	α-helix	trans	-75.3	-28.7	-175.7	-69.1	172.5	0	0	0	113.4	F498 H501 T502 L573 M574 T575 V591 F594 R595 L598	F498-L577 HydrophobicContact CD2-CD2 3.88Å; F498-L577 HydrophobicContact CE2-CD2 4.09Å; H501-L577 VanDerWaalsContact CD2-CD2 3.41Å; H501-L577 WeakPolarHBondContact CD2-CD2 3.35Å; H501-L577 PolarHBondContact NE2-O 3.17Å; T502-L577 HydrophobicContact CG2-CD2 4.19Å; L573-L577 HydrophobicContact CD1-CG 4.41Å; L573-L577 HydrophobicContact CG-CD1 4.08Å; L573-L577 HydrophobicContact CG-CG 4.41Å; L573-L577 WeakPolarHBondContact O-CG 3.46Å; L573-L577 PolarHBondContact O-N 3.23Å; M574-L577 PolarHBondContact O-N 3.13Å; T575-L577 VanDerWaalsContact C-N 3.34Å; T575-L577 PolarHBondContact O-N 3.47Å; L577-V591 HydrophobicContact CB-CG1 3.83Å; L577-F594 HydrophobicContact CD1-CD1 4.31Å; L577-F594 HydrophobicContact CD2-CD1 3.93Å; L577-F594 HydrophobicContact CD2-CE1 3.82Å; L577-R595 HydrophobicContact CD1-CB 3.62Å; L577-R595 HydrophobicContact CD1-CG 3.95Å; L577-L598 HydrophobicContact CD1-CD1 4.31Å; L577-L598 HydrophobicContact CD2-CD1 4.11Å
578	I	92.6	Very high	89.6	Confident	43 Å²	43	76.6 Å²	76.6	22%	0.221	41%	0.411	C	S	.	.	H	α-helix	trans	-84.4	-37.3	175.8	-63.1	169	0	0	0	110.5	M574 T575 Q580 S581 L583 F588 V591	M574-I578 HydrophobicContact CE-CD1 3.79Å; M574-I578 HydrophobicContact CE-CG1 4.38Å; M574-I578 HydrophobicContact CG-CD1 3.88Å; M574-I578 WeakPolarHBondContact O-CG1 3.37Å; M574-I578 PolarHBondContact O-N 3.21Å; M574-I578 HydrophobicContact SD-CD1 4.08Å; M574-I578 HydrophobicContact SD-CG1 4.37Å; T575-I578 PolarHBondContact O-N 3.49Å; I578-Q580 PolarHBondContact O-N 3.07Å; I578-S581 WeakPolarHBondContact CG2-O 3.13Å; I578-S581 PolarHBondContact O-N 3.42Å; I578-L583 HydrophobicContact CB-CD1 4.47Å; I578-L583 HydrophobicContact CG1-CD1 4.07Å; I578-L583 HydrophobicContact CG2-CD1 4.27Å; I578-L583 HydrophobicContact CG2-CG 4.47Å; I578-F588 HydrophobicContact CD1-CD2 4.25Å; I578-F588 HydrophobicContact CD1-CE2 3.71Å; I578-V591 HydrophobicContact CG1-CG1 4.45Å
579	G	85	Confident	90	Very high	51 Å²	51	77.5 Å²	77.5	53%	0.526	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	-133.4	-170.4	0	0	0	0	0	111.2	T575	T575-G579 PolarHBondContact O-N 3.12Å
580	Q	75.9	Confident	90.2	Very high	205 Å²	205	74.3 Å²	74.3	96%	0.958	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	7.5	180	-63.1	176.6	-4.9	0	0	113.4	I578	I578-Q580 PolarHBondContact O-N 3.07Å
581	S	75.8	Confident	90.4	Very high	71 Å²	71	69.1 Å²	69.1	50%	0.497	36%	0.356	S	S	.	.			trans	-90.2	134.3	-169.6	-59.6	0	0	0	0	112.3	I578 L583	I578-S581 WeakPolarHBondContact CG2-O 3.13Å; I578-S581 PolarHBondContact O-N 3.42Å; S581-L583 PolarHBondContact O-N 3.29Å
582	K	80.1	Confident	90.5	Very high	219 Å²	219	68.6 Å²	68.6	95%	0.952	36%	0.359	S	S	*	.			trans	-76.6	110.9	162.3	-69.9	-174.7	-178.9	-179.4	0	108.6
583	L	85.5	Confident	90.7	Very high	54 Å²	54	65.7 Å²	65.7	28%	0.283	34%	0.343	S	S	.	.			trans	-90.4	143	179.6	-57.7	177.3	0	0	0	110.1	I578 S581 I587 F588 V591	I578-L583 HydrophobicContact CB-CD1 4.47Å; I578-L583 HydrophobicContact CG1-CD1 4.07Å; I578-L583 HydrophobicContact CG2-CD1 4.27Å; I578-L583 HydrophobicContact CG2-CG 4.47Å; S581-L583 PolarHBondContact O-N 3.29Å; L583-I587 HydrophobicContact CB-CB 4.45Å; L583-I587 HydrophobicContact CB-CG2 4.2Å; L583-I587 HydrophobicContact CD1-CG2 4.27Å; L583-I587 HydrophobicContact CD2-CG2 3.95Å; L583-I587 HydrophobicContact CG-CG2 4.36Å; L583-F588 HydrophobicContact CB-CB 4.15Å; L583-V591 HydrophobicContact CD1-CB 4.4Å; L583-V591 HydrophobicContact CD1-CG2 4.02Å
584	S	89.3	Confident	90.9	Very high	63 Å²	63	65.3 Å²	65.3	44%	0.441	34%	0.341	S	S	.	.			trans	-66	155.1	167.6	62.4	0	0	0	0	110.4	I587 F588	S584-I587 PolarHBondContact O-N 3.02Å; S584-I587 WeakPolarHBondContact OG-CD1 3.4Å; S584-I587 WeakPolarHBondContact OG-CG1 3.42Å; S584-F588 WeakPolarHBondContact O-CB 3.37Å; S584-F588 PolarHBondContact O-N 2.92Å
585	E	90.1	Very high	91.1	Very high	140 Å²	140	67 Å²	67	65%	0.654	35%	0.346	S	S	*	.	H	α-helix	trans	-53.5	-44.4	-176.5	-172.2	58	-147	0	0	113.7	I587 F588 R589	E585-I587 VanDerWaalsContact C-N 3.33Å; E585-I587 PolarHBondContact O-N 3.47Å; E585-F588 PolarHBondContact O-N 3.41Å; E585-R589 WeakPolarHBondContact O-CB 3.42Å; E585-R589 PolarHBondContact O-N 3.22Å
586	P	91.6	Very high	91.3	Very high	34 Å²	34	65.1 Å²	65.1	22%	0.221	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-37.4	177.7	-22.1	34.3	0	0	0	113.4	K590 A628	P586-K590 WeakPolarHBondContact O-CB 3.25Å; P586-K590 PolarHBondContact O-N 3.21Å; P586-A628 HydrophobicContact CG-CB 4.41Å
587	I	92.6	Very high	91.5	Very high	39 Å²	39	63.2 Å²	63.2	20%	0.2	32%	0.322	C	S	.	.	H	α-helix	trans	-71.8	-44.6	178.7	-64.7	176.7	0	0	0	109.6	I407 L583 S584 E585 R589 K590 V591	I407-I587 HydrophobicContact CG2-CG2 4.07Å; L583-I587 HydrophobicContact CB-CB 4.45Å; L583-I587 HydrophobicContact CB-CG2 4.2Å; L583-I587 HydrophobicContact CD1-CG2 4.27Å; L583-I587 HydrophobicContact CD2-CG2 3.95Å; L583-I587 HydrophobicContact CG-CG2 4.36Å; S584-I587 PolarHBondContact O-N 3.02Å; S584-I587 WeakPolarHBondContact OG-CD1 3.4Å; S584-I587 WeakPolarHBondContact OG-CG1 3.42Å; E585-I587 VanDerWaalsContact C-N 3.33Å; E585-I587 PolarHBondContact O-N 3.47Å; I587-R589 PolarHBondContact O-N 3.5Å; I587-K590 PolarHBondContact O-N 3.3Å; I587-K590 VanDerWaalsContact O-N 3.14Å; I587-V591 HydrophobicContact CG2-CG2 4.25Å; I587-V591 WeakPolarHBondContact O-CG2 3.26Å; I587-V591 PolarHBondContact O-N 3.26Å
588	F	94	Very high	91.7	Very high	78 Å²	78	62.9 Å²	62.9	34%	0.342	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-45.4	177.7	-178.8	-96.3	0	0	0	111.8	M574 I578 L583 S584 E585 K590 V591 T592	M574-F588 HydrophobicContact CE-CD2 4.19Å; M574-F588 HydrophobicContact CE-CE1 4.33Å; M574-F588 HydrophobicContact CE-CE2 3.47Å; M574-F588 VanDerWaalsContact CE-CE2 3.47Å; M574-F588 HydrophobicContact CE-CZ 3.54Å; I578-F588 HydrophobicContact CD1-CD2 4.25Å; I578-F588 HydrophobicContact CD1-CE2 3.71Å; L583-F588 HydrophobicContact CB-CB 4.15Å; S584-F588 WeakPolarHBondContact O-CB 3.37Å; S584-F588 PolarHBondContact O-N 2.92Å; E585-F588 PolarHBondContact O-N 3.41Å; F588-K590 VanDerWaalsContact C-N 3.33Å; F588-K590 PolarHBondContact O-N 3.37Å; F588-V591 PolarHBondContact O-N 3.42Å; F588-T592 PolarHBondContact O-N 2.82Å; F588-T592 PolarHBondContact O-OG1 2.73Å
589	R	95.1	Very high	91.9	Very high	133 Å²	133	63.6 Å²	63.6	50%	0.502	32%	0.323	S	S	.	.	H	α-helix	trans	-57.2	-46	173.5	178.7	179.5	171	175.5	-0.2	111.5	E585 I587 T592 Q593 E623	E585-R589 WeakPolarHBondContact O-CB 3.42Å; E585-R589 PolarHBondContact O-N 3.22Å; I587-R589 PolarHBondContact O-N 3.5Å; R589-T592 WeakPolarHBondContact O-CB 3.44Å; R589-T592 PolarHBondContact O-N 3.11Å; R589-Q593 WeakPolarHBondContact O-CG 3.39Å; R589-Q593 PolarHBondContact O-N 2.9Å; R589-E623 IonicContact CZ-OE2 2.74Å; R589-E623 IonicContact NE-OE2 2.72Å; R589-E623 IonicContact NH2-OE2 2.96Å; R589-E623 PolarHBondContact NH2-OE2 3.46Å
590	K	95.4	Very high	92.5	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-69.3	-36.6	-178.7	-169.6	59.4	66.1	-175.5	0	112.3	I407 P586 I587 F588 T592 Q593 F594 P619 F620 E623 M625	I407-K590 HydrophobicContact CG1-CB 4.21Å; I407-K590 HydrophobicContact CG1-CG 3.69Å; I407-K590 HydrophobicContact CG2-CG 4.38Å; P586-K590 WeakPolarHBondContact O-CB 3.25Å; P586-K590 PolarHBondContact O-N 3.21Å; I587-K590 PolarHBondContact O-N 3.3Å; I587-K590 VanDerWaalsContact O-N 3.14Å; F588-K590 VanDerWaalsContact C-N 3.33Å; F588-K590 PolarHBondContact O-N 3.37Å; K590-T592 VanDerWaalsContact C-N 3.34Å; K590-Q593 VanDerWaalsContact CE-OE1 3.29Å; K590-Q593 PolarHBondContact O-N 3.38Å; K590-F594 PolarHBondContact O-N 3.49Å; K590-P619 PolarHBondContact NZ-O 3.18Å; K590-F620 HydrophobicContact CD-CD2 3.5Å; K590-F620 HydrophobicContact CD-CE2 3.67Å; K590-F620 HydrophobicContact CG-CD2 4.12Å; K590-F620 HydrophobicContact CG-CE2 3.83Å; K590-F620 PolarHBondContact NZ-O 3.33Å; K590-F620 VanDerWaalsContact NZ-O 3.16Å; K590-F620 WeakPolarHBondContact O-CD2 3.35Å; K590-E623 PolarHBondContact NZ-O 3.36Å; K590-M625 HydrophobicContact CB-CE 4.24Å; K590-M625 HydrophobicContact CG-CE 3.94Å
591	V	96.3	Very high	93.6	Very high	1 Å²	1	55 Å²	55	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-39.7	171.7	170.5	0	0	0	0	111.1	I407 M574 L577 I578 L583 I587 F588 Q593 F594 R595	I407-V591 HydrophobicContact CB-CG2 4.46Å; I407-V591 HydrophobicContact CD1-CG2 4.13Å; I407-V591 HydrophobicContact CG1-CG2 4.12Å; M574-V591 HydrophobicContact SD-CG1 4.35Å; L577-V591 HydrophobicContact CB-CG1 3.83Å; I578-V591 HydrophobicContact CG1-CG1 4.45Å; L583-V591 HydrophobicContact CD1-CB 4.4Å; L583-V591 HydrophobicContact CD1-CG2 4.02Å; I587-V591 HydrophobicContact CG2-CG2 4.25Å; I587-V591 WeakPolarHBondContact O-CG2 3.26Å; I587-V591 PolarHBondContact O-N 3.26Å; F588-V591 PolarHBondContact O-N 3.42Å; V591-Q593 VanDerWaalsContact C-N 3.34Å; V591-Q593 PolarHBondContact O-N 3.49Å; V591-F594 WeakPolarHBondContact O-CB 3.32Å; V591-F594 PolarHBondContact O-N 2.88Å; V591-F594 VanDerWaalsContact O-N 3.15Å; V591-R595 PolarHBondContact O-N 3.06Å
592	T	96.9	Very high	94.6	Very high	44 Å²	44	51.7 Å²	51.7	27%	0.27	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-42.9	174.4	-55.5	0	0	0	0	111.5	M574 F588 R589 K590 F594 R595 D596	M574-T592 WeakPolarHBondContact CE-OG1 3.29Å; F588-T592 PolarHBondContact O-N 2.82Å; F588-T592 PolarHBondContact O-OG1 2.73Å; R589-T592 WeakPolarHBondContact O-CB 3.44Å; R589-T592 PolarHBondContact O-N 3.11Å; K590-T592 VanDerWaalsContact C-N 3.34Å; T592-F594 VanDerWaalsContact C-N 3.31Å; T592-F594 PolarHBondContact O-N 2.99Å; T592-R595 WeakPolarHBondContact O-CB 3.31Å; T592-R595 PolarHBondContact O-N 3.22Å; T592-D596 PolarHBondContact O-N 2.91Å; T592-D596 VanDerWaalsContact O-N 3.07Å
593	Q	98	Very high	95.5	Very high	22 Å²	22	43.8 Å²	43.8	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-36	174.5	-68.8	173.7	-21.7	0	0	112.3	R589 K590 V591 D596 L597 H618 P619 F620 E623	R589-Q593 WeakPolarHBondContact O-CG 3.39Å; R589-Q593 PolarHBondContact O-N 2.9Å; K590-Q593 VanDerWaalsContact CE-OE1 3.29Å; K590-Q593 PolarHBondContact O-N 3.38Å; V591-Q593 VanDerWaalsContact C-N 3.34Å; V591-Q593 PolarHBondContact O-N 3.49Å; Q593-D596 PolarHBondContact O-N 3.21Å; Q593-L597 PolarHBondContact O-N 3.4Å; Q593-L597 VanDerWaalsContact O-N 3.07Å; Q593-H618 PolarHBondContact O-CE1 2.86Å; Q593-H618 VanDerWaalsContact O-CE1 3.3Å; Q593-P619 HydrophobicContact CG-CB 4.47Å; Q593-P619 PolarHBondContact OE1-O 3Å; Q593-F620 HydrophobicContact CB-CB 3.93Å; Q593-F620 HydrophobicContact CB-CD2 4.08Å; Q593-F620 HydrophobicContact CB-CG 4.5Å; Q593-E623 PolarHBondContact NE2-OE2 3.45Å
594	F	98.2	Very high	96	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.2	-44.1	175.6	-175.3	-130.6	0	0	0	111.8	I407 I410 L497 H501 L577 K590 V591 T592 D596 L597 L598 F620	I407-F594 HydrophobicContact CD1-CB 4.01Å; I407-F594 HydrophobicContact CD1-CD1 4.05Å; I407-F594 HydrophobicContact CD1-CG 4.09Å; I410-F594 HydrophobicContact CG2-CD2 4.24Å; I410-F594 HydrophobicContact CG2-CE1 4.06Å; I410-F594 HydrophobicContact CG2-CE2 3.73Å; I410-F594 HydrophobicContact CG2-CZ 3.63Å; L497-F594 HydrophobicContact CB-CE2 4.19Å; L497-F594 HydrophobicContact CB-CZ 3.94Å; H501-F594 HydrophobicContact CB-CE1 3.72Å; H501-F594 HydrophobicContact CB-CZ 4.39Å; H501-F594 AromaticContact CG-CE1 3.88Å; L577-F594 HydrophobicContact CD1-CD1 4.31Å; L577-F594 HydrophobicContact CD2-CD1 3.93Å; L577-F594 HydrophobicContact CD2-CE1 3.82Å; K590-F594 PolarHBondContact O-N 3.49Å; V591-F594 WeakPolarHBondContact O-CB 3.32Å; V591-F594 PolarHBondContact O-N 2.88Å; V591-F594 VanDerWaalsContact O-N 3.15Å; T592-F594 VanDerWaalsContact C-N 3.31Å; T592-F594 PolarHBondContact O-N 2.99Å; F594-D596 VanDerWaalsContact C-N 3.32Å; F594-D596 PolarHBondContact O-N 3.3Å; F594-L597 PolarHBondContact O-N 3.01Å; F594-L598 HydrophobicContact CD1-CD1 4.08Å; F594-L598 HydrophobicContact CD2-CG 4.32Å; F594-L598 HydrophobicContact CE1-CD1 3.63Å; F594-L598 HydrophobicContact CE1-CG 4.27Å; F594-L598 HydrophobicContact CE2-CD1 4.23Å; F594-L598 HydrophobicContact CE2-CD2 4.06Å; F594-L598 HydrophobicContact CE2-CG 3.97Å; F594-L598 HydrophobicContact CZ-CD1 3.71Å; F594-L598 HydrophobicContact CZ-CD2 4.01Å; F594-L598 HydrophobicContact CZ-CG 3.94Å; F594-L598 WeakPolarHBondContact O-CG 3.4Å; F594-L598 PolarHBondContact O-N 2.67Å; F594-F620 HydrophobicContact CB-CD2 3.72Å; F594-F620 HydrophobicContact CB-CE2 3.5Å; F594-F620 HydrophobicContact CB-CG 4.36Å; F594-F620 HydrophobicContact CB-CZ 3.92Å; F594-F620 HydrophobicContact CD2-CD1 4.05Å; F594-F620 HydrophobicContact CD2-CD2 4.45Å; F594-F620 AromaticContact CD2-CE1 3.53Å; F594-F620 HydrophobicContact CD2-CE1 3.53Å; F594-F620 HydrophobicContact CD2-CE2 4.03Å; F594-F620 HydrophobicContact CD2-CG 4.48Å; F594-F620 AromaticContact CD2-CZ 3.52Å; F594-F620 HydrophobicContact CD2-CZ 3.52Å; F594-F620 HydrophobicContact CE2-CE1 4.17Å; F594-F620 HydrophobicContact CE2-CZ 4.32Å; F594-F620 HydrophobicContact CG-CE1 4.34Å; F594-F620 HydrophobicContact CG-CE2 4.02Å; F594-F620 AromaticContact CG-CZ 3.91Å; F594-F620 HydrophobicContact CG-CZ 3.91Å
595	R	97.7	Very high	96.3	Very high	62 Å²	62	39.1 Å²	39.1	23%	0.234	18%	0.182	C	C	.	.	H	α-helix	trans	-54	-48.6	173.1	-170	-141.3	88.2	-147.9	2	111.3	L573 M574 L577 V591 T592 L597 L598 E599	L573-R595 HydrophobicContact CB-CG 4.38Å; L573-R595 HydrophobicContact CD2-CG 4.04Å; L573-R595 HydrophobicContact CG-CG 4.11Å; M574-R595 HydrophobicContact CB-CG 4.48Å; M574-R595 HydrophobicContact SD-CB 4.36Å; M574-R595 HydrophobicContact SD-CG 4.42Å; L577-R595 HydrophobicContact CD1-CB 3.62Å; L577-R595 HydrophobicContact CD1-CG 3.95Å; V591-R595 PolarHBondContact O-N 3.06Å; T592-R595 WeakPolarHBondContact O-CB 3.31Å; T592-R595 PolarHBondContact O-N 3.22Å; R595-L597 VanDerWaalsContact C-N 3.34Å; R595-L597 PolarHBondContact O-N 2.61Å; R595-L598 PolarHBondContact O-N 2.88Å; R595-E599 IonicContact CZ-OE1 3.41Å; R595-E599 IonicContact CZ-OE2 3.72Å; R595-E599 IonicContact NE-OE1 2.96Å; R595-E599 PolarHBondContact NE-OE1 3.49Å; R595-E599 IonicContact NE-OE2 2.64Å; R595-E599 PolarHBondContact NE-OE2 3.2Å; R595-E599 IonicContact NH2-OE1 3.17Å; R595-E599 PolarHBondContact NH2-OE1 2.86Å; R595-E599 IonicContact NH2-OE2 2.61Å; R595-E599 PolarHBondContact NH2-OE2 3.31Å; R595-E599 WeakPolarHBondContact O-CG 3.27Å; R595-E599 PolarHBondContact O-N 3.1Å
596	D	98.1	Very high	96.6	Very high	48 Å²	48	32.9 Å²	32.9	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-62	-40.3	179	-177.7	52.6	0	0	0	112.1	T592 Q593 F594 E599 K600 H618	T592-D596 PolarHBondContact O-N 2.91Å; T592-D596 VanDerWaalsContact O-N 3.07Å; Q593-D596 PolarHBondContact O-N 3.21Å; F594-D596 VanDerWaalsContact C-N 3.32Å; F594-D596 PolarHBondContact O-N 3.3Å; D596-E599 PolarHBondContact O-N 2.86Å; D596-K600 VanDerWaalsContact CG-NZ 3.33Å; D596-K600 WeakPolarHBondContact O-CG 3.12Å; D596-K600 PolarHBondContact O-N 2.94Å; D596-K600 VanDerWaalsContact OD1-CE 3.27Å; D596-K600 WeakPolarHBondContact OD1-CE 3.36Å; D596-K600 IonicContact OD1-NZ 2.8Å; D596-K600 PolarHBondContact OD1-NZ 3.29Å; D596-K600 WeakPolarHBondContact OD2-CE 3.23Å; D596-K600 IonicContact OD2-NZ 2.75Å; D596-K600 PolarHBondContact OD2-NZ 3.26Å; D596-H618 IonicContact OD2-CE1 3.21Å; D596-H618 PolarHBondContact OD2-CE1 2.74Å; D596-H618 IonicContact OD2-NE2 3.38Å; D596-H618 PolarHBondContact OD2-NE2 3.35Å
597	L	98.6	Very high	96.7	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-49	173.7	-179	59.1	0	0	0	111.6	T414 Q593 F594 R595 E599 K600 T601 A615 H618 F620	T414-L597 HydrophobicContact CG2-CD2 3.77Å; Q593-L597 PolarHBondContact O-N 3.4Å; Q593-L597 VanDerWaalsContact O-N 3.07Å; F594-L597 PolarHBondContact O-N 3.01Å; R595-L597 VanDerWaalsContact C-N 3.34Å; R595-L597 PolarHBondContact O-N 2.61Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.48Å; L597-K600 PolarHBondContact O-N 3.19Å; L597-K600 VanDerWaalsContact O-N 3.16Å; L597-T601 HydrophobicContact CD1-CG2 4.13Å; L597-T601 HydrophobicContact CG-CG2 4.48Å; L597-T601 WeakPolarHBondContact O-CG2 3.12Å; L597-T601 PolarHBondContact O-N 2.86Å; L597-T601 PolarHBondContact O-OG1 3.45Å; L597-A615 HydrophobicContact CD1-CB 4.18Å; L597-H618 HydrophobicContact CD1-CB 4.06Å; L597-F620 HydrophobicContact CD2-CB 4.4Å; L597-F620 HydrophobicContact CD2-CD1 3.73Å; L597-F620 HydrophobicContact CD2-CG 4.43Å
598	L	98.4	Very high	96.9	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-38.5	177.8	-72.6	-178.9	0	0	0	111.8	S494 F498 L573 L577 F594 R595 K600 T601 L602	S494-L598 WeakPolarHBondContact O-CD2 3.44Å; F498-L598 HydrophobicContact CB-CD1 4.31Å; F498-L598 HydrophobicContact CD2-CD1 4.24Å; L573-L598 HydrophobicContact CD2-CB 3.91Å; L573-L598 HydrophobicContact CD2-CD1 4.39Å; L577-L598 HydrophobicContact CD1-CD1 4.31Å; L577-L598 HydrophobicContact CD2-CD1 4.11Å; F594-L598 HydrophobicContact CD1-CD1 4.08Å; F594-L598 HydrophobicContact CD2-CG 4.32Å; F594-L598 HydrophobicContact CE1-CD1 3.63Å; F594-L598 HydrophobicContact CE1-CG 4.27Å; F594-L598 HydrophobicContact CE2-CD1 4.23Å; F594-L598 HydrophobicContact CE2-CD2 4.06Å; F594-L598 HydrophobicContact CE2-CG 3.97Å; F594-L598 HydrophobicContact CZ-CD1 3.71Å; F594-L598 HydrophobicContact CZ-CD2 4.01Å; F594-L598 HydrophobicContact CZ-CG 3.94Å; F594-L598 WeakPolarHBondContact O-CG 3.4Å; F594-L598 PolarHBondContact O-N 2.67Å; R595-L598 PolarHBondContact O-N 2.88Å; L598-K600 VanDerWaalsContact C-N 3.28Å; L598-K600 PolarHBondContact O-N 2.67Å; L598-T601 WeakPolarHBondContact CA-OG1 3.23Å; L598-T601 PolarHBondContact O-N 2.64Å; L598-T601 PolarHBondContact O-OG1 3.23Å; L598-L602 HydrophobicContact CB-CD1 4.25Å; L598-L602 WeakPolarHBondContact O-CB 3.47Å; L598-L602 VanDerWaalsContact O-CG 3.22Å; L598-L602 WeakPolarHBondContact O-CG 3.27Å; L598-L602 PolarHBondContact O-N 3.39Å
599	E	97.6	Very high	97.1	Very high	57 Å²	57	38.7 Å²	38.7	27%	0.266	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-39.1	177.2	-83.8	175.3	-176.1	0	0	112.7	K523 L573 R595 D596 L597	K523-E599 PolarHBondContact NZ-O 3.14Å; L573-E599 HydrophobicContact CD2-CG 4.16Å; R595-E599 IonicContact CZ-OE1 3.41Å; R595-E599 IonicContact CZ-OE2 3.72Å; R595-E599 IonicContact NE-OE1 2.96Å; R595-E599 PolarHBondContact NE-OE1 3.49Å; R595-E599 IonicContact NE-OE2 2.64Å; R595-E599 PolarHBondContact NE-OE2 3.2Å; R595-E599 IonicContact NH2-OE1 3.17Å; R595-E599 PolarHBondContact NH2-OE1 2.86Å; R595-E599 IonicContact NH2-OE2 2.61Å; R595-E599 PolarHBondContact NH2-OE2 3.31Å; R595-E599 WeakPolarHBondContact O-CG 3.27Å; R595-E599 PolarHBondContact O-N 3.1Å; D596-E599 PolarHBondContact O-N 2.86Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.48Å
600	K	98.2	Very high	97.2	Very high	74 Å²	74	33.2 Å²	33.2	32%	0.322	16%	0.159	S	C	.	.	H	α-helix	trans	-77.9	-32.1	-179.1	-68.3	173.9	-169.1	159.5	0	112.9	D596 L597 L598 M603 I610 H618	D596-K600 VanDerWaalsContact CG-NZ 3.33Å; D596-K600 WeakPolarHBondContact O-CG 3.12Å; D596-K600 PolarHBondContact O-N 2.94Å; D596-K600 VanDerWaalsContact OD1-CE 3.27Å; D596-K600 WeakPolarHBondContact OD1-CE 3.36Å; D596-K600 IonicContact OD1-NZ 2.8Å; D596-K600 PolarHBondContact OD1-NZ 3.29Å; D596-K600 WeakPolarHBondContact OD2-CE 3.23Å; D596-K600 IonicContact OD2-NZ 2.75Å; D596-K600 PolarHBondContact OD2-NZ 3.26Å; L597-K600 PolarHBondContact O-N 3.19Å; L597-K600 VanDerWaalsContact O-N 3.16Å; L598-K600 VanDerWaalsContact C-N 3.28Å; L598-K600 PolarHBondContact O-N 2.67Å; K600-M603 WeakPolarHBondContact O-CG 3.41Å; K600-I610 HydrophobicContact CB-CB 3.95Å; K600-I610 HydrophobicContact CB-CD1 4.32Å; K600-I610 HydrophobicContact CB-CG2 3.89Å; K600-I610 HydrophobicContact CD-CD1 4.03Å; K600-I610 PolarHBondContact O-N 2.91Å; K600-H618 PolarHBondContact NZ-NE2 3.28Å
601	T	97.9	Very high	97.3	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-83.3	-31.1	176.6	58.7	0	0	0	0	112.8	L490 S494 L597 L598 M603 R609 I610	L490-T601 HydrophobicContact CD1-CG2 3.92Å; L490-T601 HydrophobicContact CD2-CG2 4.31Å; L490-T601 HydrophobicContact CG-CG2 4.13Å; S494-T601 VanDerWaalsContact CB-OG1 3.28Å; S494-T601 WeakPolarHBondContact CB-OG1 3.44Å; S494-T601 WeakPolarHBondContact OG-CB 3.28Å; S494-T601 PolarHBondContact OG-OG1 2.68Å; L597-T601 HydrophobicContact CD1-CG2 4.13Å; L597-T601 HydrophobicContact CG-CG2 4.48Å; L597-T601 WeakPolarHBondContact O-CG2 3.12Å; L597-T601 PolarHBondContact O-N 2.86Å; L597-T601 PolarHBondContact O-OG1 3.45Å; L598-T601 WeakPolarHBondContact CA-OG1 3.23Å; L598-T601 PolarHBondContact O-N 2.64Å; L598-T601 PolarHBondContact O-OG1 3.23Å; T601-M603 PolarHBondContact O-N 3.41Å; T601-R609 VanDerWaalsContact O-CD 3.25Å; T601-R609 WeakPolarHBondContact O-CD 3.3Å; T601-R609 WeakPolarHBondContact O-CG 3.37Å; T601-I610 HydrophobicContact CG2-CG2 3.49Å; T601-I610 VanDerWaalsContact CG2-CG2 3.49Å
602	L	97.8	Very high	97.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-88.7	36	177.7	-60.5	171.2	0	0	0	112.8	W491 V495 M506 K523 L598 L604	W491-L602 HydrophobicContact CD2-CD2 3.95Å; W491-L602 HydrophobicContact CE3-CD2 4.01Å; W491-L602 HydrophobicContact CG-CD2 4.49Å; W491-L602 HydrophobicContact CH2-CD2 4.34Å; W491-L602 HydrophobicContact CZ2-CD2 4.28Å; W491-L602 HydrophobicContact CZ3-CB 4.17Å; W491-L602 HydrophobicContact CZ3-CD2 4.22Å; V495-L602 HydrophobicContact CG2-CD2 3.84Å; M506-L602 HydrophobicContact CE-CD1 3.49Å; M506-L602 VanDerWaalsContact CE-CD1 3.49Å; M506-L602 HydrophobicContact SD-CD1 3.7Å; K523-L602 HydrophobicContact CD-CB 4.44Å; K523-L602 VanDerWaalsContact CE-O 3.23Å; K523-L602 WeakPolarHBondContact CE-O 3.42Å; L598-L602 HydrophobicContact CB-CD1 4.25Å; L598-L602 WeakPolarHBondContact O-CB 3.47Å; L598-L602 VanDerWaalsContact O-CG 3.22Å; L598-L602 WeakPolarHBondContact O-CG 3.27Å; L598-L602 PolarHBondContact O-N 3.39Å; L602-L604 PolarHBondContact O-N 3.01Å
603	M	97.5	Very high	97.2	Very high	53 Å²	53	37.6 Å²	37.6	26%	0.261	18%	0.183	S	C	.	.			trans	-73.7	127.5	174.1	-68.1	-68	-74.1	0	0	110.5	K600 T601 D605 R608 R609	K600-M603 WeakPolarHBondContact O-CG 3.41Å; T601-M603 PolarHBondContact O-N 3.41Å; M603-D605 PolarHBondContact O-N 3.45Å; M603-R608 HydrophobicContact CE-CB 3.87Å; M603-R609 HydrophobicContact CB-CG 3.68Å; M603-R609 PolarHBondContact O-NE 2.81Å; M603-R609 PolarHBondContact O-NH2 3.47Å
604	L	96.9	Very high	97.2	Very high	11 Å²	11	42 Å²	42	6%	0.058	20%	0.204	C	C	.	.	S	Bend	trans	-64.8	-27	-179.9	-62.4	172	0	0	0	112.8	P476 W491 M519 K523 G524 I526 L602	P476-L604 HydrophobicContact CG-CD2 4.26Å; W491-L604 HydrophobicContact CH2-CD2 4.15Å; W491-L604 HydrophobicContact CZ3-CD2 4.49Å; M519-L604 HydrophobicContact CB-CD2 4.22Å; K523-L604 HydrophobicContact CB-CD1 3.69Å; K523-L604 HydrophobicContact CB-CD2 4.13Å; K523-L604 HydrophobicContact CB-CG 3.81Å; K523-L604 HydrophobicContact CG-CD2 4.45Å; K523-L604 HydrophobicContact CG-CG 4.4Å; G524-L604 WeakPolarHBondContact O-CD1 3.03Å; I526-L604 HydrophobicContact CG1-CD1 3.92Å; I526-L604 HydrophobicContact CG1-CD2 4.33Å; I526-L604 HydrophobicContact CG1-CG 4.49Å; L602-L604 PolarHBondContact O-N 3.01Å
605	D	96.2	Very high	97.2	Very high	7 Å²	7	42 Å²	42	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-92.7	112.2	169.1	-171.7	-19.7	0	0	0	109	R529 V530 M603 T607 R608	R529-D605 IonicContact CZ-OD2 3.41Å; R529-D605 IonicContact NE-OD2 2.75Å; R529-D605 PolarHBondContact NE-OD2 2.74Å; R529-D605 IonicContact NH2-OD2 2.66Å; R529-D605 PolarHBondContact NH2-OD2 3.04Å; V530-D605 HydrophobicContact CG2-CB 3.77Å; M603-D605 PolarHBondContact O-N 3.45Å; D605-T607 VanDerWaalsContact CG-OG1 3.25Å; D605-T607 PolarHBondContact O-N 3.11Å; D605-T607 WeakPolarHBondContact OD1-CB 3.44Å; D605-T607 PolarHBondContact OD1-N 2.79Å; D605-T607 VanDerWaalsContact OD1-N 3.09Å; D605-T607 PolarHBondContact OD1-OG1 3.16Å; D605-T607 PolarHBondContact OD2-OG1 2.94Å; D605-R608 HydrophobicContact CB-CB 4.31Å; D605-R608 HydrophobicContact CB-CG 4.36Å; D605-R608 PolarHBondContact O-N 3.1Å
606	P	95.2	Very high	97.2	Very high	10 Å²	10	39.9 Å²	39.9	7%	0.065	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.5	-177.8	23.5	-33.3	0	0	0	112.5	E477 R608 R609	E477-P606 HydrophobicContact CB-CG 4.39Å; P606-R608 PolarHBondContact O-N 2.98Å; P606-R609 PolarHBondContact O-N 3.02Å
607	T	94.4	Very high	97.2	Very high	101 Å²	101	43.6 Å²	43.6	62%	0.62	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-69.3	-15.9	178.4	66.1	0	0	0	0	113.8	D605	D605-T607 VanDerWaalsContact CG-OG1 3.25Å; D605-T607 PolarHBondContact O-N 3.11Å; D605-T607 WeakPolarHBondContact OD1-CB 3.44Å; D605-T607 PolarHBondContact OD1-N 2.79Å; D605-T607 VanDerWaalsContact OD1-N 3.09Å; D605-T607 PolarHBondContact OD1-OG1 3.16Å; D605-T607 PolarHBondContact OD2-OG1 2.94Å
608	R	96.3	Very high	97.2	Very high	155 Å²	155	43.6 Å²	43.6	59%	0.585	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-103.3	0.7	177.9	-70.9	-171.1	157.6	-169.4	-5.2	113.2	M603 D605 P606	M603-R608 HydrophobicContact CE-CB 3.87Å; D605-R608 HydrophobicContact CB-CB 4.31Å; D605-R608 HydrophobicContact CB-CG 4.36Å; D605-R608 PolarHBondContact O-N 3.1Å; P606-R608 PolarHBondContact O-N 2.98Å
609	R	97.4	Very high	97.1	Very high	16 Å²	16	45.8 Å²	45.8	6%	0.06	23%	0.227	C	C	.	.	S	Bend	trans	-68.2	141.9	174.2	-75	179.2	-157.2	144.2	18.2	109.9	E477 N487 T601 M603 P606	E477-R609 IonicContact OE1-CZ 3.63Å; E477-R609 VanDerWaalsContact OE1-CZ 3.24Å; E477-R609 IonicContact OE1-NH1 3Å; E477-R609 PolarHBondContact OE1-NH1 2.84Å; E477-R609 IonicContact OE1-NH2 3.73Å; E477-R609 PolarHBondContact OE1-NH2 3Å; E477-R609 IonicContact OE2-CZ 2.7Å; E477-R609 IonicContact OE2-NH1 2.99Å; E477-R609 IonicContact OE2-NH2 3.61Å; E477-R609 PolarHBondContact OE2-NH2 3.19Å; N487-R609 PolarHBondContact O-NH1 2.77Å; T601-R609 VanDerWaalsContact O-CD 3.25Å; T601-R609 WeakPolarHBondContact O-CD 3.3Å; T601-R609 WeakPolarHBondContact O-CG 3.37Å; M603-R609 HydrophobicContact CB-CG 3.68Å; M603-R609 PolarHBondContact O-NE 2.81Å; M603-R609 PolarHBondContact O-NH2 3.47Å; P606-R609 PolarHBondContact O-N 3.02Å
610	I	97.9	Very high	97.1	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.3	140.3	171.6	-170.6	170.8	0	0	0	110.7	L490 K600 T601 E614 A615	L490-I610 HydrophobicContact CD2-CG2 4.47Å; L490-I610 VanDerWaalsContact CD2-O 3.24Å; L490-I610 WeakPolarHBondContact CD2-O 3.31Å; K600-I610 HydrophobicContact CB-CB 3.95Å; K600-I610 HydrophobicContact CB-CD1 4.32Å; K600-I610 HydrophobicContact CB-CG2 3.89Å; K600-I610 HydrophobicContact CD-CD1 4.03Å; K600-I610 PolarHBondContact O-N 2.91Å; T601-I610 HydrophobicContact CG2-CG2 3.49Å; T601-I610 VanDerWaalsContact CG2-CG2 3.49Å; I610-E614 HydrophobicContact CD1-CB 3.84Å; I610-E614 HydrophobicContact CG1-CB 3.44Å; I610-E614 VanDerWaalsContact CG1-CB 3.44Å; I610-A615 HydrophobicContact CD1-CB 4.22Å; I610-A615 HydrophobicContact CG1-CB 4.4Å; I610-A615 HydrophobicContact CG2-CB 4.33Å
611	S	97.2	Very high	97.1	Very high	36 Å²	36	40.1 Å²	40.1	25%	0.252	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-73.6	159.8	174.5	70.2	0	0	0	0	111.5	N613 E614 A615	S611-N613 VanDerWaalsContact C-N 3.27Å; S611-N613 PolarHBondContact O-N 3Å; S611-E614 VanDerWaalsContact CB-OE2 3.3Å; S611-E614 WeakPolarHBondContact CB-OE2 3.5Å; S611-E614 PolarHBondContact N-OE2 2.65Å; S611-E614 PolarHBondContact O-N 3.09Å; S611-E614 WeakPolarHBondContact OG-CB 3.5Å; S611-E614 VanDerWaalsContact OG-CG 3.23Å; S611-E614 WeakPolarHBondContact OG-CG 3.2Å; S611-E614 PolarHBondContact OG-N 3.18Å; S611-E614 PolarHBondContact OG-OE2 2.81Å; S611-A615 WeakPolarHBondContact O-CB 3.22Å; S611-A615 PolarHBondContact O-N 3.29Å
612	L	96.7	Very high	97	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-36.8	177.4	-66.3	174.7	0	0	0	112.8	L418 L421 R425 L490 A615 L616	L418-L612 HydrophobicContact CD2-CD2 3.99Å; L421-L612 HydrophobicContact CB-CD1 3.88Å; L421-L612 HydrophobicContact CB-CD2 3.71Å; L421-L612 HydrophobicContact CB-CG 4.48Å; L421-L612 HydrophobicContact CD1-CD2 3.8Å; L421-L612 HydrophobicContact CG-CD2 4.43Å; R425-L612 HydrophobicContact CB-CD1 4.2Å; L490-L612 HydrophobicContact CD1-CD2 3.99Å; L490-L612 HydrophobicContact CD2-CD2 4.46Å; L612-A615 PolarHBondContact O-N 3.34Å; L612-L616 WeakPolarHBondContact O-CB 3.36Å; L612-L616 WeakPolarHBondContact O-CG 3.38Å; L612-L616 PolarHBondContact O-N 2.92Å
613	N	95.7	Very high	96.7	Very high	95 Å²	95	46.4 Å²	46.4	51%	0.508	24%	0.236	S	C	.	.	H	α-helix	trans	-67.4	-43.4	178.4	-72.1	-27.3	0	0	0	111.1	K422 S611 L616 Q617	K422-N613 PolarHBondContact NZ-OD1 3.22Å; S611-N613 VanDerWaalsContact C-N 3.27Å; S611-N613 PolarHBondContact O-N 3Å; N613-L616 PolarHBondContact O-N 3.49Å; N613-Q617 WeakPolarHBondContact O-CG 3.45Å; N613-Q617 PolarHBondContact O-N 3.14Å
614	E	97.7	Very high	96.1	Very high	114 Å²	114	53 Å²	53	53%	0.533	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-37.8	175.1	-68.7	163.6	141.2	0	0	111.8	I610 S611 L616 Q617 H618	I610-E614 HydrophobicContact CD1-CB 3.84Å; I610-E614 HydrophobicContact CG1-CB 3.44Å; I610-E614 VanDerWaalsContact CG1-CB 3.44Å; S611-E614 VanDerWaalsContact CB-OE2 3.3Å; S611-E614 WeakPolarHBondContact CB-OE2 3.5Å; S611-E614 PolarHBondContact N-OE2 2.65Å; S611-E614 PolarHBondContact O-N 3.09Å; S611-E614 WeakPolarHBondContact OG-CB 3.5Å; S611-E614 VanDerWaalsContact OG-CG 3.23Å; S611-E614 WeakPolarHBondContact OG-CG 3.2Å; S611-E614 PolarHBondContact OG-N 3.18Å; S611-E614 PolarHBondContact OG-OE2 2.81Å; E614-L616 VanDerWaalsContact C-N 3.35Å; E614-L616 PolarHBondContact O-N 2.98Å; E614-Q617 CarbonylContact O-C 3.45Å; E614-Q617 PolarHBondContact O-N 2.81Å; E614-H618 PolarHBondContact O-N 2.98Å; E614-H618 VanDerWaalsContact O-N 3.13Å
615	A	98.1	Very high	95.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-38.3	176.5	0	0	0	0	0	112.2	L418 L597 I610 S611 L612 Q617 H618	L418-A615 HydrophobicContact CD1-CB 3.93Å; L418-A615 HydrophobicContact CD2-CB 4.02Å; L597-A615 HydrophobicContact CD1-CB 4.18Å; I610-A615 HydrophobicContact CD1-CB 4.22Å; I610-A615 HydrophobicContact CG1-CB 4.4Å; I610-A615 HydrophobicContact CG2-CB 4.33Å; S611-A615 WeakPolarHBondContact O-CB 3.22Å; S611-A615 PolarHBondContact O-N 3.29Å; L612-A615 PolarHBondContact O-N 3.34Å; A615-Q617 VanDerWaalsContact C-N 3.29Å; A615-Q617 PolarHBondContact O-N 2.96Å; A615-H618 WeakPolarHBondContact O-CB 3.3Å; A615-H618 PolarHBondContact O-N 3.36Å
616	L	97.2	Very high	93.5	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-68.1	-27.7	174.2	-76.5	166.7	0	0	0	112.8	L418 L419 K422 L612 N613 E614 H618	L418-L616 HydrophobicContact CB-CD2 3.61Å; L418-L616 HydrophobicContact CB-CG 4.01Å; L418-L616 HydrophobicContact CD1-CD2 4.2Å; L418-L616 HydrophobicContact CD1-CG 4.4Å; L419-L616 HydrophobicContact CD2-CD1 4.26Å; L419-L616 HydrophobicContact CD2-CD2 4.12Å; L419-L616 HydrophobicContact CG-CD2 4.29Å; K422-L616 HydrophobicContact CD-CD1 3.9Å; L612-L616 WeakPolarHBondContact O-CB 3.36Å; L612-L616 WeakPolarHBondContact O-CG 3.38Å; L612-L616 PolarHBondContact O-N 2.92Å; N613-L616 PolarHBondContact O-N 3.49Å; E614-L616 VanDerWaalsContact C-N 3.35Å; E614-L616 PolarHBondContact O-N 2.98Å; L616-H618 VanDerWaalsContact C-N 3.31Å
617	Q	97.9	Very high	91.6	Very high	127 Å²	127	62.2 Å²	62.2	59%	0.593	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	2.2	175.1	-63.1	-59.3	-23.3	0	0	113.3	N613 E614 A615	N613-Q617 WeakPolarHBondContact O-CG 3.45Å; N613-Q617 PolarHBondContact O-N 3.14Å; E614-Q617 CarbonylContact O-C 3.45Å; E614-Q617 PolarHBondContact O-N 2.81Å; A615-Q617 VanDerWaalsContact C-N 3.29Å; A615-Q617 PolarHBondContact O-N 2.96Å
618	H	98.2	Very high	89.2	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.023	32%	0.319	C	S	.	.	S	Bend	trans	-65.8	140.7	-176.4	-163.3	-93.7	0	0	0	111.9	Q593 D596 L597 K600 E614 A615 L616 F620 I621 T622	Q593-H618 PolarHBondContact O-CE1 2.86Å; Q593-H618 VanDerWaalsContact O-CE1 3.3Å; D596-H618 IonicContact OD2-CE1 3.21Å; D596-H618 PolarHBondContact OD2-CE1 2.74Å; D596-H618 IonicContact OD2-NE2 3.38Å; D596-H618 PolarHBondContact OD2-NE2 3.35Å; L597-H618 HydrophobicContact CD1-CB 4.06Å; K600-H618 PolarHBondContact NZ-NE2 3.28Å; E614-H618 PolarHBondContact O-N 2.98Å; E614-H618 VanDerWaalsContact O-N 3.13Å; A615-H618 WeakPolarHBondContact O-CB 3.3Å; A615-H618 PolarHBondContact O-N 3.36Å; L616-H618 VanDerWaalsContact C-N 3.31Å; H618-F620 WeakPolarHBondContact ND1-CB 3.5Å; H618-F620 PolarHBondContact ND1-N 2.97Å; H618-F620 PolarHBondContact O-N 3.09Å; H618-I621 PolarHBondContact O-N 2.98Å; H618-T622 PolarHBondContact O-N 2.76Å; H618-T622 PolarHBondContact O-OG1 3.45Å
619	P	97.4	Very high	86.3	Confident	49 Å²	49	58.7 Å²	58.7	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-52.2	-29.3	178.6	-31.6	37.1	0	0	0	115.2	K590 Q593 I621 T622 E623	K590-P619 PolarHBondContact NZ-O 3.18Å; Q593-P619 HydrophobicContact CG-CB 4.47Å; Q593-P619 PolarHBondContact OE1-O 3Å; P619-I621 VanDerWaalsContact C-N 3.25Å; P619-I621 PolarHBondContact O-N 3.33Å; P619-T622 WeakPolarHBondContact CA-OG1 3.33Å; P619-E623 HydrophobicContact CB-CG 4.19Å; P619-E623 VanDerWaalsContact O-CB 3.27Å; P619-E623 WeakPolarHBondContact O-CB 3.49Å; P619-E623 PolarHBondContact O-N 3.2Å; P619-E623 VanDerWaalsContact O-N 3.08Å
620	F	97.9	Very high	83.4	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-56	-42.4	173.8	-179.4	-117.1	0	0	0	112.2	I407 I410 R411 T414 K590 Q593 F594 L597 H618	I407-F620 HydrophobicContact CD1-CE2 3.8Å; I407-F620 HydrophobicContact CD1-CZ 4.01Å; I407-F620 HydrophobicContact CG1-CE2 4.08Å; I410-F620 HydrophobicContact CG2-CZ 4.16Å; R411-F620 HydrophobicContact CB-CE1 4.15Å; R411-F620 HydrophobicContact CB-CE2 4.26Å; R411-F620 HydrophobicContact CB-CZ 3.78Å; R411-F620 WeakPolarHBondContact CD-O 3.46Å; R411-F620 HydrophobicContact CG-CE1 4.35Å; R411-F620 HydrophobicContact CG-CZ 4.31Å; R411-F620 WeakPolarHBondContact CG-O 3.34Å; T414-F620 HydrophobicContact CG2-CD1 4.41Å; T414-F620 HydrophobicContact CG2-CE1 4.24Å; K590-F620 HydrophobicContact CD-CD2 3.5Å; K590-F620 HydrophobicContact CD-CE2 3.67Å; K590-F620 HydrophobicContact CG-CD2 4.12Å; K590-F620 HydrophobicContact CG-CE2 3.83Å; K590-F620 PolarHBondContact NZ-O 3.33Å; K590-F620 VanDerWaalsContact NZ-O 3.16Å; K590-F620 WeakPolarHBondContact O-CD2 3.35Å; Q593-F620 HydrophobicContact CB-CB 3.93Å; Q593-F620 HydrophobicContact CB-CD2 4.08Å; Q593-F620 HydrophobicContact CB-CG 4.5Å; F594-F620 HydrophobicContact CB-CD2 3.72Å; F594-F620 HydrophobicContact CB-CE2 3.5Å; F594-F620 HydrophobicContact CB-CG 4.36Å; F594-F620 HydrophobicContact CB-CZ 3.92Å; F594-F620 HydrophobicContact CD2-CD1 4.05Å; F594-F620 HydrophobicContact CD2-CD2 4.45Å; F594-F620 AromaticContact CD2-CE1 3.53Å; F594-F620 HydrophobicContact CD2-CE1 3.53Å; F594-F620 HydrophobicContact CD2-CE2 4.03Å; F594-F620 HydrophobicContact CD2-CG 4.48Å; F594-F620 AromaticContact CD2-CZ 3.52Å; F594-F620 HydrophobicContact CD2-CZ 3.52Å; F594-F620 HydrophobicContact CE2-CE1 4.17Å; F594-F620 HydrophobicContact CE2-CZ 4.32Å; F594-F620 HydrophobicContact CG-CE1 4.34Å; F594-F620 HydrophobicContact CG-CE2 4.02Å; F594-F620 AromaticContact CG-CZ 3.91Å; F594-F620 HydrophobicContact CG-CZ 3.91Å; L597-F620 HydrophobicContact CD2-CB 4.4Å; L597-F620 HydrophobicContact CD2-CD1 3.73Å; L597-F620 HydrophobicContact CD2-CG 4.43Å; H618-F620 WeakPolarHBondContact ND1-CB 3.5Å; H618-F620 PolarHBondContact ND1-N 2.97Å; H618-F620 PolarHBondContact O-N 3.09Å
621	I	96.8	Very high	80.4	Confident	11 Å²	11	70.7 Å²	70.7	6%	0.056	39%	0.393	C	S	.	.	H	α-helix	trans	-85.4	-48.6	-177.9	-56.8	-57.2	0	0	0	111.4	R411 T414 Q415 H618 P619	R411-I621 HydrophobicContact CG-CD1 4.49Å; T414-I621 HydrophobicContact CG2-CD1 3.74Å; Q415-I621 HydrophobicContact CB-CD1 4.26Å; Q415-I621 HydrophobicContact CB-CG2 4.17Å; Q415-I621 HydrophobicContact CG-CG2 4Å; H618-I621 PolarHBondContact O-N 2.98Å; P619-I621 VanDerWaalsContact C-N 3.25Å; P619-I621 PolarHBondContact O-N 3.33Å
622	T	95.9	Very high	77.4	Confident	69 Å²	69	72.8 Å²	72.8	42%	0.423	41%	0.412	S	S	.	.	H	α-helix	trans	-80.7	-33.4	-168.7	53.7	0	0	0	0	113.7	H618 P619 R624	H618-T622 PolarHBondContact O-N 2.76Å; H618-T622 PolarHBondContact O-OG1 3.45Å; P619-T622 WeakPolarHBondContact CA-OG1 3.33Å; T622-R624 PolarHBondContact O-N 3.43Å
623	E	92.4	Very high	74.8	Confident	68 Å²	68	80.3 Å²	80.3	32%	0.318	45%	0.453	S	S	.	.	S	Bend	trans	-79.7	123.4	177.7	-62.3	-176.2	-170.3	0	0	110.7	R589 K590 Q593 P619	R589-E623 IonicContact CZ-OE2 2.74Å; R589-E623 IonicContact NE-OE2 2.72Å; R589-E623 IonicContact NH2-OE2 2.96Å; R589-E623 PolarHBondContact NH2-OE2 3.46Å; K590-E623 PolarHBondContact NZ-O 3.36Å; Q593-E623 PolarHBondContact NE2-OE2 3.45Å; P619-E623 HydrophobicContact CB-CG 4.19Å; P619-E623 VanDerWaalsContact O-CB 3.27Å; P619-E623 WeakPolarHBondContact O-CB 3.49Å; P619-E623 PolarHBondContact O-N 3.2Å; P619-E623 VanDerWaalsContact O-N 3.08Å
624	R	84	Confident	72.3	Confident	190 Å²	190	80.7 Å²	80.7	72%	0.717	46%	0.46	S	S	*	.			trans	-62.1	145.7	172.3	-65.9	-174.4	178.1	-170.6	-3.6	109.9	D185 T622 S626	D185-R624 IonicContact OD2-NH2 2.76Å; D185-R624 PolarHBondContact OD2-NH2 3.42Å; D185-R624 VanDerWaalsContact OD2-NH2 3.08Å; T622-R624 PolarHBondContact O-N 3.43Å; R624-S626 PolarHBondContact O-N 2.85Å; R624-S626 VanDerWaalsContact O-N 3.16Å
625	M	76.8	Confident	69.6	Low	61 Å²	61	82 Å²	82	30%	0.3	48%	0.476	S	S	.	.			trans	-70.3	111.7	168.2	-168.2	179.7	-65	0	0	106.1	I407 A408 K590 A627	I407-M625 HydrophobicContact CG2-CE 3.61Å; A408-M625 HydrophobicContact CB-CE 4.13Å; K590-M625 HydrophobicContact CB-CE 4.24Å; K590-M625 HydrophobicContact CG-CE 3.94Å; M625-A627 PolarHBondContact O-N 3.24Å
626	S	63	Low	66.5	Low	71 Å²	71	94.8 Å²	94.8	50%	0.497	54%	0.536	S	S	.	.			trans	-59	112.3	173.3	52	0	0	0	0	107.3	R624 A628	R624-S626 PolarHBondContact O-N 2.85Å; R624-S626 VanDerWaalsContact O-N 3.16Å; S626-A628 PolarHBondContact O-N 2.96Å
627	A	54.1	Low	65	Low	91 Å²	91	98.7 Å²	98.7	75%	0.752	56%	0.558	S	S	*	*			trans	-53.5	113.4	155.1	0	0	0	0	0	104.2	M625 T629	M625-A627 PolarHBondContact O-N 3.24Å; A627-T629 PolarHBondContact O-N 3.01Å
628	A	44.3	Very low	63.3	Low	62 Å²	62	97.2 Å²	97.2	51%	0.512	56%	0.556	S	S	.	*			trans	-51.9	122	173	0	0	0	0	0	105.7	P586 S626 E630	P586-A628 HydrophobicContact CG-CB 4.41Å; S626-A628 PolarHBondContact O-N 2.96Å; A628-E630 PolarHBondContact O-N 3.43Å
629	T	36.6	Very low	61.3	Low	120 Å²	120	102.3 Å²	102.3	74%	0.736	59%	0.586	S	S	*	*			trans	-62.3	80.1	173.5	-24.7	0	0	0	0	106.7	A627 S631	A627-T629 PolarHBondContact O-N 3.01Å; T629-S631 PolarHBondContact O-N 2.66Å
630	E	36.1	Very low	59.2	Low	192 Å²	192	105.4 Å²	105.4	90%	0.897	60%	0.602	S	S	*	*			trans	-71.4	0.4	169.9	-82.1	-171.5	168	0	0	111.2	A628	A628-E630 PolarHBondContact O-N 3.43Å
631	S	35.1	Very low	56.8	Low	95 Å²	95	112 Å²	112	66%	0.664	64%	0.639	S	S	*	*	S	Bend	trans	-102.3	81.1	168.2	64.1	0	0	0	0	111.1	T629	T629-S631 PolarHBondContact O-N 2.66Å
632	A	34.8	Very low	54.1	Low	80 Å²	80	118.7 Å²	118.7	66%	0.661	68%	0.678	S	S	*	*			trans	166.8	86.1	137.4	0	0	0	0	0	109.3	P634	A632-P634 VanDerWaalsContact O-CD 3.25Å; A632-P634 WeakPolarHBondContact O-CD 3.46Å
633	N	41.7	Very low	51.1	Low	169 Å²	169	122.3 Å²	122.3	90%	0.904	70%	0.696	S	S	*	*			trans	-68.7	113.2	142.1	-90	-23.8	0	0	0	106.3
634	P	42.5	Very low	48	Very low	104 Å²	104	126.5 Å²	126.5	68%	0.675	73%	0.726	S	S	*	*			trans	-83.4	126.5	167.3	30.2	-18.9	0	0	0	108.3	A632	A632-P634 VanDerWaalsContact O-CD 3.25Å; A632-P634 WeakPolarHBondContact O-CD 3.46Å
635	T	41.4	Very low	45	Very low	140 Å²	140	121.2 Å²	121.2	86%	0.859	73%	0.726	S	S	*	*			trans	75.6	118	155.5	18.7	0	0	0	0	118.9
636	Q	33.3	Very low	42.1	Very low	269 Å²	269	126.6 Å²	126.6	100%	1.257	77%	0.765	S	S	*	*			trans	-50.2	0	158.4	-68.2	171.3	-15.1	0	0	113.3

Retrieved 636 of 636 residues in 403.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).