A0A096MAV9_POEFO Loading...

Sphingomyelin phosphodiesterase 4

AlphaFold DB , UniProt , Accession A0A096MAV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	26.8	Very low	248 Å²	248	133.1 Å²	133.1	100%	1.222	83%	0.827	S	S	*	*				0	146.1	0	-75.9	168.9	168.2	0	0	108.4
2	S	24	Very low	26.7	Very low	100 Å²	100	133.3 Å²	133.3	70%	0.699	84%	0.837	S	S	*	*			trans	-71.9	157	-178.7	-43.4	0	0	0	0	111.5
3	F	23.7	Very low	26.6	Very low	196 Å²	196	129.2 Å²	129.2	86%	0.86	84%	0.836	S	S	*	*				-167.1	155	66	-106.9	-81.6	0	0	0	113.6
4	S	25.9	Very low	26.7	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	84%	0.838	S	S	*	*			trans	-100.2	146.8	161.5	-36	0	0	0	0	109.3
5	V	26.7	Very low	26.6	Very low	126 Å²	126	134.8 Å²	134.8	76%	0.764	84%	0.837	S	S	*	*			trans	-143.1	126	166.6	-178.5	0	0	0	0	110.9
6	L	27.9	Very low	26.7	Very low	165 Å²	165	136.6 Å²	136.6	86%	0.864	83%	0.833	S	S	*	*			trans	-108.1	150.3	152.1	-81.4	166.2	0	0	0	107.5
7	P	36	Very low	26.6	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	82%	0.823	S	S	*	*				-129.7	154.8	107.3	8.8	12.7	0	0	0	111.3
8	A	26.5	Very low	26.6	Very low	82 Å²	82	136.4 Å²	136.4	68%	0.678	82%	0.823	S	S	*	*			cis	96	127.5	27.9	0	0	0	0	0	115
9	D	24.1	Very low	26.6	Very low	166 Å²	166	132.6 Å²	132.6	89%	0.888	81%	0.814	S	S	*	*			trans	57.2	114.9	161	-55.9	-24.1	0	0	0	122.9
10	G	24.8	Very low	26.5	Very low	84 Å²	84	131.6 Å²	131.6	87%	0.866	81%	0.812	S	S	*	*				118.9	132.8	91.9	0	0	0	0	0	119.5
11	G	23.7	Very low	26.5	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	81%	0.807	S	S	*	*			trans	124.3	84.8	143.2	0	0	0	0	0	120.5
12	S	25.9	Very low	26.2	Very low	135 Å²	135	126 Å²	126	94%	0.944	78%	0.784	S	S	*	*			trans	54	142.6	142.9	59.4	0	0	0	0	123.2
13	G	25.3	Very low	26.4	Very low	80 Å²	80	127.5 Å²	127.5	83%	0.825	78%	0.784	S	S	*	*			trans	172.2	58.6	175.4	0	0	0	0	0	117.1
14	L	27.8	Very low	26.4	Very low	166 Å²	166	125.1 Å²	125.1	87%	0.869	78%	0.78	S	S	*	*			trans	-42.7	137.3	179	-81.7	149.1	0	0	0	116.9
15	Q	26.2	Very low	26.4	Very low	177 Å²	177	122.8 Å²	122.8	83%	0.827	77%	0.774	S	S	*	*				-174.8	120.5	105.8	-102.5	-174.3	8.9	0	0	117.4
16	H	27.1	Very low	26.3	Very low	164 Å²	164	125.4 Å²	125.4	76%	0.759	78%	0.778	S	S	*	*				82.1	140.9	128.4	-112.2	-104.1	0	0	0	125.9
17	V	26.1	Very low	26.2	Very low	111 Å²	111	126.2 Å²	126.2	67%	0.673	78%	0.777	S	S	*	*			trans	77	86.6	162.5	-163.6	0	0	0	0	120.5
18	I	26.5	Very low	25.7	Very low	159 Å²	159	124.5 Å²	124.5	82%	0.815	78%	0.779	S	S	*	*				41.2	130.6	116	-54.1	161.7	0	0	0	118.9
19	G	26.1	Very low	25.6	Very low	64 Å²	64	131.7 Å²	131.7	66%	0.66	79%	0.791	S	S	*	*			cis	156.7	179.6	-4.9	0	0	0	0	0	115.8
20	S	25.7	Very low	26.5	Very low	111 Å²	111	128.6 Å²	128.6	78%	0.776	78%	0.78	S	S	*	*			trans	72.6	118.8	176.5	-56.1	0	0	0	0	116.7
21	C	24.8	Very low	26.5	Very low	105 Å²	105	131.6 Å²	131.6	71%	0.709	78%	0.775	S	S	*	*			cis	81.2	142	47.2	-63.5	0	0	0	0	112.5
22	E	26.2	Very low	26.5	Very low	157 Å²	157	135 Å²	135	73%	0.734	78%	0.776	S	S	*	*			cis	-158.9	-176.2	3.9	-121.2	157.1	-119.1	0	0	108.5
23	L	26.8	Very low	26.4	Very low	133 Å²	133	133.9 Å²	133.9	70%	0.696	76%	0.763	S	S	*	*			cis	-152.6	-165.2	15.9	-133	178.8	0	0	0	111.1
24	N	24.3	Very low	26.4	Very low	146 Å²	146	136.5 Å²	136.5	78%	0.781	76%	0.758	S	S	*	*			trans	-82.9	178.5	-174	-57.3	-10.5	0	0	0	114.7
25	G	25.3	Very low	26.2	Very low	64 Å²	64	135 Å²	135	66%	0.66	75%	0.75	S	S	*	*			cis	142.4	167.4	-6.8	0	0	0	0	0	113.8
26	E	25.2	Very low	26.1	Very low	181 Å²	181	138.9 Å²	138.9	85%	0.846	76%	0.757	S	S	*	*			trans	62.7	160.6	166.6	-58.3	-172.4	178.3	0	0	118.1
27	E	26.9	Very low	26	Very low	183 Å²	183	138.9 Å²	138.9	86%	0.855	76%	0.755	S	S	*	*			cis	-158.3	172.6	-31.9	-109.4	-153.2	161.9	0	0	108.2
28	G	24.7	Very low	26	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	77%	0.769	S	S	*	*			trans	108.9	125.5	150.8	0	0	0	0	0	120
29	Y	24	Very low	25.9	Very low	233 Å²	233	141.8 Å²	141.8	91%	0.914	77%	0.769	S	S	*	*			trans	-112.5	176	165.5	-90.6	-80.4	0	0	0	108.4
30	P	42.8	Very low	25.9	Very low	102 Å²	102	144.5 Å²	144.5	66%	0.662	78%	0.777	S	S	*	*			cis	-140.3	-161.7	-18.1	33.6	-9.7	0	0	0	114.5
31	L	25.6	Very low	25.8	Very low	146 Å²	146	145.3 Å²	145.3	76%	0.764	78%	0.781	S	S	*	*			trans	78.4	118.3	150.6	-68.3	171.6	0	0	0	122.8
32	L	24.2	Very low	25.8	Very low	144 Å²	144	149.9 Å²	149.9	75%	0.754	79%	0.789	S	S	*	*			trans	58.2	123.2	130.5	-66.2	178.9	0	0	0	123.4
33	V	24.1	Very low	25.7	Very low	111 Å²	111	146.3 Å²	146.3	67%	0.673	79%	0.787	S	S	*	*				95.6	113	122.5	166.8	0	0	0	0	121
34	N	24.3	Very low	25.7	Very low	134 Å²	134	149 Å²	149	72%	0.717	80%	0.795	S	S	*	*			trans	84.2	123.2	143.1	-80.8	-9.4	0	0	0	123.7
35	L	24.1	Very low	25.8	Very low	136 Å²	136	146.8 Å²	146.8	71%	0.712	79%	0.792	S	S	*	*			trans	66.9	105.3	133.5	-64.6	169.3	0	0	0	119.5
36	W	23.9	Very low	26.1	Very low	257 Å²	257	149.5 Å²	149.5	97%	0.973	80%	0.795	S	S	*	*				-138.8	163.7	116.5	-146.9	45	0	0	0	113.9
37	K	25.4	Very low	26.2	Very low	164 Å²	164	149 Å²	149	71%	0.713	79%	0.793	S	S	*	*			trans	-115.6	159.1	-174.4	-80	178.5	173.8	172.8	0	111
38	R	25.7	Very low	26.4	Very low	253 Å²	253	145.5 Å²	145.5	96%	0.955	79%	0.788	S	S	*	*			trans	72.5	126	165.9	-68.9	177.8	167	171.2	-4.5	116.6
39	G	24.5	Very low	26.9	Very low	79 Å²	79	148.8 Å²	148.8	81%	0.814	79%	0.788	S	S	*	*			trans	176	67.1	172.7	0	0	0	0	0	111
40	S	24.7	Very low	27.2	Very low	120 Å²	120	145.5 Å²	145.5	84%	0.839	78%	0.779	S	S	*	*			trans	-77.9	122.7	179.8	-61.6	0	0	0	0	111.5
41	C	24.3	Very low	26.6	Very low	128 Å²	128	146.7 Å²	146.7	87%	0.865	78%	0.78	S	S	*	*				-173.6	160.9	127	-107	0	0	0	0	114.9
42	K	24.7	Very low	27	Very low	202 Å²	202	147.1 Å²	147.1	88%	0.878	78%	0.776	S	S	*	*			trans	-45.6	158.8	172.9	-63	162.6	169.5	174.8	0	113.5
43	A	25.1	Very low	27.5	Very low	82 Å²	82	147.7 Å²	147.7	68%	0.678	77%	0.773	S	S	*	*			cis	-156.9	-180	19.2	0	0	0	0	0	113
44	H	25.6	Very low	28.1	Very low	188 Å²	188	147 Å²	147	87%	0.87	76%	0.764	S	S	*	*			trans	18.2	127.3	161	-60.5	-75.5	0	0	0	118.9
45	S	27.1	Very low	28.4	Very low	101 Å²	101	149 Å²	149	71%	0.706	76%	0.762	S	S	*	*			cis	-166.5	-177.1	48.9	-162.3	0	0	0	0	112.5
46	T	31.4	Very low	29.2	Very low	120 Å²	120	145.6 Å²	145.6	74%	0.736	75%	0.747	S	S	*	*			trans	47.8	103.9	164.7	52.2	0	0	0	0	118.6
47	H	27.8	Very low	29.8	Very low	171 Å²	171	139.3 Å²	139.3	79%	0.792	73%	0.728	S	S	*	*				-176.4	102.1	127.7	-113.4	-97.2	0	0	0	110.7
48	S	30.9	Very low	30.1	Very low	110 Å²	110	136 Å²	136	77%	0.769	72%	0.718	S	S	*	*			trans	-140	96.5	171.9	-179.9	0	0	0	0	109.4
49	N	35.6	Very low	30.5	Very low	144 Å²	144	128 Å²	128	77%	0.77	69%	0.691	S	S	*	*	S	Bend	trans	177.1	-37.9	161.4	-92.7	-18.9	0	0	0	110.2	N51 F52	N49-N51 PolarHBondContact O-N 2.8Å; N49-F52 PolarHBondContact O-N 3.05Å
50	F	29.2	Very low	31.3	Very low	163 Å²	163	128.6 Å²	128.6	72%	0.715	68%	0.679	S	S	*	*	H	α-helix	trans	-67.9	-29.1	-173.7	-143.9	-94.5	0	0	0	114.5	F52	F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 2.74Å
51	N	30.6	Very low	31.8	Very low	128 Å²	128	129.1 Å²	129.1	68%	0.684	67%	0.668	S	S	*	*	H	α-helix	trans	-76.1	-12.5	179.9	-92.9	-36.6	0	0	0	114.5	N49 W55	N49-N51 PolarHBondContact O-N 2.8Å; N51-W55 PolarHBondContact O-N 2.97Å
52	F	34.4	Very low	32	Very low	155 Å²	155	128 Å²	128	68%	0.68	65%	0.653	S	S	*	*	H	α-helix	trans	-78.6	-35.4	-176.6	-160.6	-93.8	0	0	0	112.6	N49 F50 W55 T56	N49-F52 PolarHBondContact O-N 3.05Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 2.74Å; F52-W55 PolarHBondContact O-N 3.42Å; F52-T56 HydrophobicContact CD1-CG2 4.38Å; F52-T56 HydrophobicContact CE1-CG2 4.06Å; F52-T56 PolarHBondContact O-N 2.94Å; F52-T56 VanDerWaalsContact O-N 3.13Å; F52-T56 PolarHBondContact O-OG1 3.05Å
53	F	34.1	Very low	32.4	Very low	156 Å²	156	127.2 Å²	127.2	68%	0.684	65%	0.645	S	S	*	*	H	α-helix	trans	-66.8	-50.8	178.4	-103.5	-92.9	0	0	0	112.3	W55 T56 E57	F53-W55 PolarHBondContact O-N 3.18Å; F53-T56 WeakPolarHBondContact CA-OG1 3.36Å; F53-T56 PolarHBondContact O-N 3.38Å; F53-T56 VanDerWaalsContact O-N 3.09Å; F53-T56 PolarHBondContact O-OG1 2.9Å; F53-E57 PolarHBondContact O-N 2.84Å; F53-E57 VanDerWaalsContact O-N 3.08Å
54	L	36.6	Very low	32.8	Very low	96 Å²	96	129.1 Å²	129.1	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-60	-34.4	176.6	-103.7	72.9	0	0	0	112.8	L58	L54-L58 WeakPolarHBondContact O-CD1 3.39Å; L54-L58 PolarHBondContact O-N 3.42Å
55	W	31.9	Very low	32.9	Very low	177 Å²	177	127.4 Å²	127.4	67%	0.67	64%	0.638	S	S	*	*	H	α-helix	trans	-72.6	-28.2	177.9	-123.7	83.1	0	0	0	113.2	N51 F52 F53 Q59	N51-W55 PolarHBondContact O-N 2.97Å; F52-W55 PolarHBondContact O-N 3.42Å; F53-W55 PolarHBondContact O-N 3.18Å; W55-Q59 HydrophobicContact CE3-CG 3.76Å; W55-Q59 HydrophobicContact CZ3-CG 3.89Å; W55-Q59 VanDerWaalsContact CZ3-NE2 3.34Å; W55-Q59 WeakPolarHBondContact O-CB 3.33Å; W55-Q59 WeakPolarHBondContact O-CG 3.32Å; W55-Q59 PolarHBondContact O-N 3.34Å
56	T	40.6	Very low	33	Very low	63 Å²	63	127 Å²	127	39%	0.387	63%	0.634	S	S	.	*	H	α-helix	trans	-77	-38.9	175	34.6	0	0	0	0	111.6	F52 F53 Q59 V60	F52-T56 HydrophobicContact CD1-CG2 4.38Å; F52-T56 HydrophobicContact CE1-CG2 4.06Å; F52-T56 PolarHBondContact O-N 2.94Å; F52-T56 VanDerWaalsContact O-N 3.13Å; F52-T56 PolarHBondContact O-OG1 3.05Å; F53-T56 WeakPolarHBondContact CA-OG1 3.36Å; F53-T56 PolarHBondContact O-N 3.38Å; F53-T56 VanDerWaalsContact O-N 3.09Å; F53-T56 PolarHBondContact O-OG1 2.9Å; T56-Q59 PolarHBondContact O-N 2.7Å; T56-V60 WeakPolarHBondContact O-CG2 3.17Å; T56-V60 PolarHBondContact O-N 3.45Å
57	E	35.8	Very low	32.8	Very low	126 Å²	126	125 Å²	125	59%	0.589	63%	0.625	S	S	*	*	H	α-helix	trans	-64.8	-47.4	173.1	-68.3	-171.4	138.6	0	0	112.2	F53 Q59 V60 E61	F53-E57 PolarHBondContact O-N 2.84Å; F53-E57 VanDerWaalsContact O-N 3.08Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 3.44Å; E57-V60 WeakPolarHBondContact O-CB 3.32Å; E57-V60 PolarHBondContact O-N 2.86Å; E57-E61 PolarHBondContact O-N 3.33Å
58	L	31.8	Very low	33.1	Very low	94 Å²	94	123.2 Å²	123.2	49%	0.492	63%	0.629	S	S	.	*	H	α-helix	trans	-62.2	-32.1	175.7	-99.8	98.7	0	0	0	113.3	L54 V60 L62	L54-L58 WeakPolarHBondContact O-CD1 3.39Å; L54-L58 PolarHBondContact O-N 3.42Å; L58-V60 VanDerWaalsContact C-N 3.32Å; L58-L62 VanDerWaalsContact O-CB 3.25Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.19Å
59	Q	33.6	Very low	33	Very low	85 Å²	85	121.7 Å²	121.7	40%	0.397	62%	0.619	S	S	.	*	H	α-helix	trans	-67.1	-32.4	173.8	-83.4	-78.1	-45	0	0	112.6	W55 T56 E57 R63	W55-Q59 HydrophobicContact CE3-CG 3.76Å; W55-Q59 HydrophobicContact CZ3-CG 3.89Å; W55-Q59 VanDerWaalsContact CZ3-NE2 3.34Å; W55-Q59 WeakPolarHBondContact O-CB 3.33Å; W55-Q59 WeakPolarHBondContact O-CG 3.32Å; W55-Q59 PolarHBondContact O-N 3.34Å; T56-Q59 PolarHBondContact O-N 2.7Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 3.44Å; Q59-R63 WeakPolarHBondContact O-CB 3.46Å; Q59-R63 PolarHBondContact O-N 2.85Å
60	V	42.8	Very low	32.9	Very low	92 Å²	92	123.6 Å²	123.6	56%	0.558	63%	0.628	S	S	*	*	H	α-helix	trans	-72.3	-46	175.1	171.2	0	0	0	0	110.6	T56 E57 L58 R63 N64	T56-V60 WeakPolarHBondContact O-CG2 3.17Å; T56-V60 PolarHBondContact O-N 3.45Å; E57-V60 WeakPolarHBondContact O-CB 3.32Å; E57-V60 PolarHBondContact O-N 2.86Å; L58-V60 VanDerWaalsContact C-N 3.32Å; V60-R63 PolarHBondContact O-N 3.18Å; V60-N64 PolarHBondContact O-N 2.74Å; V60-N64 PolarHBondContact O-ND2 2.94Å
61	E	33.7	Very low	33.4	Very low	130 Å²	130	122.3 Å²	122.3	61%	0.607	62%	0.624	S	S	*	*	H	α-helix	trans	-66.9	-43	177.8	-70	-166.2	119.7	0	0	112.9	E57 R63 N64 M65	E57-E61 PolarHBondContact O-N 3.33Å; E61-R63 VanDerWaalsContact C-N 3.26Å; E61-R63 PolarHBondContact O-N 2.75Å; E61-N64 PolarHBondContact O-N 3.29Å; E61-N64 VanDerWaalsContact O-N 3.08Å; E61-M65 PolarHBondContact O-N 3.34Å
62	L	29.9	Very low	34	Very low	105 Å²	105	124.6 Å²	124.6	55%	0.55	63%	0.63	S	S	.	*	H	α-helix	trans	-64.3	-29.9	177.5	-79.1	164.9	0	0	0	112.8	L58 N64 M65	L58-L62 VanDerWaalsContact O-CB 3.25Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 WeakPolarHBondContact O-CG 3.46Å; L58-L62 PolarHBondContact O-N 3.19Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-M65 HydrophobicContact CD2-CE 4.21Å
63	R	33	Very low	35	Very low	186 Å²	186	123 Å²	123	70%	0.702	64%	0.636	S	S	*	*	H	α-helix	trans	-74.5	-23.7	174.7	-167.6	174.5	-65.2	-169.2	1.9	112.8	Q59 V60 E61	Q59-R63 WeakPolarHBondContact O-CB 3.46Å; Q59-R63 PolarHBondContact O-N 2.85Å; V60-R63 PolarHBondContact O-N 3.18Å; E61-R63 VanDerWaalsContact C-N 3.26Å; E61-R63 PolarHBondContact O-N 2.75Å
64	N	32.5	Very low	37.1	Very low	122 Å²	122	117.1 Å²	117.1	65%	0.652	61%	0.614	S	S	*	*	H	α-helix	trans	-79.8	-16.6	176.3	-72.5	-23.8	0	0	0	113.7	V60 E61 L62 S66	V60-N64 PolarHBondContact O-N 2.74Å; V60-N64 PolarHBondContact O-ND2 2.94Å; E61-N64 PolarHBondContact O-N 3.29Å; E61-N64 VanDerWaalsContact O-N 3.08Å; L62-N64 VanDerWaalsContact C-N 3.34Å; N64-S66 PolarHBondContact O-N 2.99Å
65	M	27.8	Very low	39.5	Very low	152 Å²	152	120.1 Å²	120.1	75%	0.749	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	10.9	-177.6	-71.8	-159.2	-77.6	0	0	115.3	E61 L62	E61-M65 PolarHBondContact O-N 3.34Å; L62-M65 HydrophobicContact CD2-CE 4.21Å
66	S	28.7	Very low	42.3	Very low	91 Å²	91	112.6 Å²	112.6	64%	0.636	60%	0.596	S	S	*	*			trans	-117	56.4	178.6	68.6	0	0	0	0	114	N64	N64-S66 PolarHBondContact O-N 2.99Å
67	S	28.1	Very low	44.8	Very low	78 Å²	78	111.1 Å²	111.1	55%	0.545	59%	0.586	S	S	.	*	S	Bend	trans	-139.2	142.7	160.2	75.7	0	0	0	0	111.2	S69	S67-S69 VanDerWaalsContact C-N 3.27Å; S67-S69 PolarHBondContact O-N 3.33Å
68	P	33.9	Very low	47.4	Very low	135 Å²	135	107.8 Å²	107.8	88%	0.877	58%	0.58	S	S	*	*	S	Bend	trans	-84.9	56	-172.2	34.9	-36.7	0	0	0	113.6
69	S	29.1	Very low	50.3	Low	78 Å²	78	106.5 Å²	106.5	55%	0.545	57%	0.574	S	S	.	*			trans	-155.4	112.1	161.8	62.1	0	0	0	0	111.6	S67 Q71	S67-S69 VanDerWaalsContact C-N 3.27Å; S67-S69 PolarHBondContact O-N 3.33Å; S69-Q71 PolarHBondContact O-N 3.47Å
70	L	32.1	Very low	53.1	Low	183 Å²	183	103 Å²	103	96%	0.958	56%	0.557	S	S	*	*			trans	-71	92.7	169	-95.3	75.1	0	0	0	109.6
71	Q	41.5	Very low	55.4	Low	136 Å²	136	103.8 Å²	103.8	64%	0.636	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-72.5	132.8	158.2	-74.5	-172.7	-13.1	0	0	108.9	S69	S69-Q71 PolarHBondContact O-N 3.47Å
72	Q	43	Very low	58.2	Low	176 Å²	176	100.1 Å²	100.1	82%	0.822	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-62.8	142.9	165.5	-71.4	178.9	-24.6	0	0	109.3	S74	Q72-S74 PolarHBondContact O-N 3.07Å; Q72-S74 VanDerWaalsContact O-N 3.09Å
73	P	55.7	Low	61	Low	123 Å²	123	97 Å²	97	80%	0.799	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-61.1	116.8	174.9	26	-33.5	0	0	0	109.2	F75	P73-F75 PolarHBondContact O-N 3.2Å; P73-F75 VanDerWaalsContact O-N 3.16Å
74	S	78.1	Confident	63.6	Low	32 Å²	32	89.1 Å²	89.1	22%	0.224	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-67.5	116.2	-176.6	47.4	0	0	0	0	110.3	Q72 L76 L77 A78	Q72-S74 PolarHBondContact O-N 3.07Å; Q72-S74 VanDerWaalsContact O-N 3.09Å; S74-L76 PolarHBondContact O-N 2.79Å; S74-L77 WeakPolarHBondContact O-CA 3.41Å; S74-L77 WeakPolarHBondContact O-CB 3.28Å; S74-L77 PolarHBondContact O-N 3.36Å; S74-L77 VanDerWaalsContact OG-CB 3.23Å; S74-L77 WeakPolarHBondContact OG-CB 3.39Å; S74-A78 PolarHBondContact O-N 3.45Å; S74-A78 VanDerWaalsContact O-N 3.1Å
75	F	86.9	Confident	66.2	Low	159 Å²	159	89.1 Å²	89.1	70%	0.697	51%	0.508	S	S	*	.	H	α-helix	trans	-54	-37.6	-178.8	-177.7	-115.9	0	0	0	112.1	P73 L77 A78 N79	P73-F75 PolarHBondContact O-N 3.2Å; P73-F75 VanDerWaalsContact O-N 3.16Å; F75-L77 PolarHBondContact O-N 2.98Å; F75-A78 PolarHBondContact O-N 3.19Å; F75-N79 WeakPolarHBondContact CD1-ND2 3.47Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.33Å; F75-N79 VanDerWaalsContact CZ-ND2 3.34Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.37Å; F75-N79 VanDerWaalsContact O-CG 3.22Å; F75-N79 PolarHBondContact O-N 3.07Å; F75-N79 PolarHBondContact O-ND2 3.36Å
76	L	90.8	Very high	69.2	Low	19 Å²	19	86.9 Å²	86.9	10%	0.099	50%	0.503	C	S	.	.	H	α-helix	trans	-56.3	-44.6	172.2	-174.9	64.2	0	0	0	112.9	S74 L80 I99 Y103 E107 I111	S74-L76 PolarHBondContact O-N 2.79Å; L76-L80 HydrophobicContact CD1-CD1 4.31Å; L76-L80 HydrophobicContact CG-CD1 4.09Å; L76-L80 WeakPolarHBondContact O-CB 3.28Å; L76-L80 VanDerWaalsContact O-CG 3.26Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 2.89Å; L76-I99 HydrophobicContact CD1-CD1 4.07Å; L76-I99 HydrophobicContact CD1-CG1 4.37Å; L76-I99 HydrophobicContact CD1-CG2 4.24Å; L76-I99 HydrophobicContact CD2-CG2 4.11Å; L76-Y103 HydrophobicContact CD1-CE1 4.05Å; L76-Y103 HydrophobicContact CD2-CD1 3.82Å; L76-Y103 HydrophobicContact CD2-CE1 3.95Å; L76-Y103 HydrophobicContact CD2-CG 4.5Å; L76-E107 HydrophobicContact CD2-CB 4.45Å; L76-I111 HydrophobicContact CD2-CD1 4.17Å; L76-I111 HydrophobicContact CD2-CG2 4.01Å; L76-I111 HydrophobicContact CG-CG2 4.09Å
77	L	91.8	Very high	72.2	Confident	31 Å²	31	85.7 Å²	85.7	16%	0.162	49%	0.487	C	S	.	.	H	α-helix	trans	-70.4	-36.9	178.6	-176.9	57.8	0	0	0	112	S74 F75 K81 I111 W114	S74-L77 WeakPolarHBondContact O-CA 3.41Å; S74-L77 WeakPolarHBondContact O-CB 3.28Å; S74-L77 PolarHBondContact O-N 3.36Å; S74-L77 VanDerWaalsContact OG-CB 3.23Å; S74-L77 WeakPolarHBondContact OG-CB 3.39Å; F75-L77 PolarHBondContact O-N 2.98Å; L77-K81 HydrophobicContact CD1-CD 4.44Å; L77-K81 HydrophobicContact CD1-CG 4.4Å; L77-K81 HydrophobicContact CG-CD 4.3Å; L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 VanDerWaalsContact O-CG 3.3Å; L77-K81 WeakPolarHBondContact O-CG 3.46Å; L77-K81 PolarHBondContact O-N 3Å; L77-I111 HydrophobicContact CB-CG2 4.05Å; L77-I111 HydrophobicContact CD1-CG2 4.26Å; L77-W114 HydrophobicContact CD1-CB 3.8Å; L77-W114 HydrophobicContact CD1-CD2 3.59Å; L77-W114 HydrophobicContact CD1-CE3 3.82Å; L77-W114 HydrophobicContact CD1-CG 3.59Å
78	A	91.2	Very high	75.2	Confident	57 Å²	57	85.9 Å²	85.9	47%	0.471	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-46.9	175.4	0	0	0	0	0	111.2	S74 F75 K81 A82	S74-A78 PolarHBondContact O-N 3.45Å; S74-A78 VanDerWaalsContact O-N 3.1Å; F75-A78 PolarHBondContact O-N 3.19Å; A78-K81 PolarHBondContact O-N 3.39Å; A78-A82 PolarHBondContact O-N 3.37Å; A78-A82 VanDerWaalsContact O-N 3.09Å
79	N	91.4	Very high	78	Confident	67 Å²	67	80.4 Å²	80.4	36%	0.358	45%	0.45	S	S	.	.	H	α-helix	trans	-63.9	-46.2	176.8	-64.3	-17.4	0	0	0	111.4	F75 K81 A82 D83	F75-N79 WeakPolarHBondContact CD1-ND2 3.47Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.33Å; F75-N79 VanDerWaalsContact CZ-ND2 3.34Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.37Å; F75-N79 VanDerWaalsContact O-CG 3.22Å; F75-N79 PolarHBondContact O-N 3.07Å; F75-N79 PolarHBondContact O-ND2 3.36Å; N79-K81 VanDerWaalsContact C-N 3.27Å; N79-K81 PolarHBondContact O-N 3.06Å; N79-A82 PolarHBondContact O-N 3.1Å; N79-A82 VanDerWaalsContact O-N 3.13Å; N79-D83 WeakPolarHBondContact O-CB 3.4Å; N79-D83 PolarHBondContact O-N 3.31Å
80	L	92.8	Very high	81	Confident	10 Å²	10	81 Å²	81	5%	0.052	45%	0.446	C	S	.	.	H	α-helix	trans	-62.1	-32	177.1	-76	172.4	0	0	0	113.1	L76 A84 L96 I99 I111 W114	L76-L80 HydrophobicContact CD1-CD1 4.31Å; L76-L80 HydrophobicContact CG-CD1 4.09Å; L76-L80 WeakPolarHBondContact O-CB 3.28Å; L76-L80 VanDerWaalsContact O-CG 3.26Å; L76-L80 WeakPolarHBondContact O-CG 3.28Å; L76-L80 PolarHBondContact O-N 2.89Å; L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 2.94Å; L80-L96 HydrophobicContact CD1-CD2 4.23Å; L80-L96 HydrophobicContact CD2-CD2 3.86Å; L80-L96 HydrophobicContact CD2-CG 4.45Å; L80-I99 HydrophobicContact CD2-CD1 3.9Å; L80-I99 HydrophobicContact CG-CD1 4.48Å; L80-I111 HydrophobicContact CD1-CB 4.3Å; L80-I111 HydrophobicContact CD1-CD1 3.73Å; L80-I111 HydrophobicContact CD1-CG2 4.05Å; L80-W114 HydrophobicContact CB-CH2 3.73Å; L80-W114 HydrophobicContact CB-CZ3 3.73Å; L80-W114 HydrophobicContact CD1-CZ3 4.28Å; L80-W114 WeakPolarHBondContact O-CH2 3.49Å
81	K	92.3	Very high	83.9	Confident	109 Å²	109	75.7 Å²	75.7	47%	0.474	42%	0.416	S	S	.	.	H	α-helix	trans	-69.5	-39	172.6	-79.6	176	176.3	-175	0	112.8	L77 A78 N79 A84 W114	L77-K81 HydrophobicContact CD1-CD 4.44Å; L77-K81 HydrophobicContact CD1-CG 4.4Å; L77-K81 HydrophobicContact CG-CD 4.3Å; L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 VanDerWaalsContact O-CG 3.3Å; L77-K81 WeakPolarHBondContact O-CG 3.46Å; L77-K81 PolarHBondContact O-N 3Å; A78-K81 PolarHBondContact O-N 3.39Å; N79-K81 VanDerWaalsContact C-N 3.27Å; N79-K81 PolarHBondContact O-N 3.06Å; K81-A84 PolarHBondContact O-N 3.01Å; K81-W114 VanDerWaalsContact CE-CD1 3.42Å; K81-W114 HydrophobicContact CG-CD2 4.49Å; K81-W114 HydrophobicContact CG-CZ2 3.84Å
82	A	90.9	Very high	86.4	Confident	54 Å²	54	71 Å²	71	45%	0.446	39%	0.392	S	S	.	.	H	α-helix	trans	-70.4	-40.2	174.2	0	0	0	0	0	112.1	A78 N79 A84 T85 T86	A78-A82 PolarHBondContact O-N 3.37Å; A78-A82 VanDerWaalsContact O-N 3.09Å; N79-A82 PolarHBondContact O-N 3.1Å; N79-A82 VanDerWaalsContact O-N 3.13Å; A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 2.98Å; A82-T85 PolarHBondContact O-N 3.47Å; A82-T85 PolarHBondContact O-OG1 2.86Å; A82-T85 VanDerWaalsContact O-OG1 3.14Å; A82-T86 WeakPolarHBondContact O-CG2 3.28Å; A82-T86 PolarHBondContact O-N 3.25Å; A82-T86 PolarHBondContact O-OG1 3.09Å
83	D	90.4	Very high	88.9	Confident	39 Å²	39	62.8 Å²	62.8	21%	0.209	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-34.9	172.6	-81.5	-14	0	0	0	111.9	N79 T85 T86 K87	N79-D83 WeakPolarHBondContact O-CB 3.4Å; N79-D83 PolarHBondContact O-N 3.31Å; D83-T85 PolarHBondContact O-N 2.88Å; D83-T86 WeakPolarHBondContact CA-OG1 3.25Å; D83-T86 PolarHBondContact O-N 3.18Å; D83-K87 HydrophobicContact CB-CD 3.92Å; D83-K87 HydrophobicContact CB-CG 4.4Å; D83-K87 WeakPolarHBondContact O-CB 3.49Å; D83-K87 PolarHBondContact O-N 2.88Å; D83-K87 WeakPolarHBondContact OD1-CD 3.42Å; D83-K87 WeakPolarHBondContact OD1-CE 3.35Å; D83-K87 IonicContact OD1-NZ 2.7Å; D83-K87 PolarHBondContact OD1-NZ 3.18Å; D83-K87 IonicContact OD2-NZ 3.36Å; D83-K87 PolarHBondContact OD2-NZ 3.38Å
84	A	87.1	Confident	90.7	Very high	20 Å²	20	61.5 Å²	61.5	17%	0.165	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-23.8	-178.6	0	0	0	0	0	114.4	L80 K81 A82 R92 W114	L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 2.94Å; K81-A84 PolarHBondContact O-N 3.01Å; A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 2.98Å; A84-R92 VanDerWaalsContact CA-CZ 3.49Å; A84-R92 PolarHBondContact O-NH1 2.83Å; A84-W114 HydrophobicContact CB-CH2 4.2Å; A84-W114 HydrophobicContact CB-CZ2 3.9Å
85	T	86.9	Confident	91.4	Very high	122 Å²	122	61.3 Å²	61.3	75%	0.748	33%	0.334	S	S	*	.	H	α-helix	trans	-102.2	-11	177.8	59.1	0	0	0	0	113.5	A82 D83	A82-T85 PolarHBondContact O-N 3.47Å; A82-T85 PolarHBondContact O-OG1 2.86Å; A82-T85 VanDerWaalsContact O-OG1 3.14Å; D83-T85 PolarHBondContact O-N 2.88Å
86	T	90.3	Very high	91.8	Very high	105 Å²	105	53.9 Å²	53.9	64%	0.644	30%	0.302	S	S	*	.	H	α-helix	trans	-118.7	-28.8	-172.1	56	0	0	0	0	114.6	A82 D83	A82-T86 WeakPolarHBondContact O-CG2 3.28Å; A82-T86 PolarHBondContact O-N 3.25Å; A82-T86 PolarHBondContact O-OG1 3.09Å; D83-T86 WeakPolarHBondContact CA-OG1 3.25Å; D83-T86 PolarHBondContact O-N 3.18Å
87	K	92.4	Very high	92.1	Very high	66 Å²	66	56.8 Å²	56.8	29%	0.287	32%	0.317	S	S	.	.	S	Bend	trans	-98.7	142.8	-179.7	-68.6	-179.2	179	166.9	0	112.3	D83 Q91 R92 D95	D83-K87 HydrophobicContact CB-CD 3.92Å; D83-K87 HydrophobicContact CB-CG 4.4Å; D83-K87 WeakPolarHBondContact O-CB 3.49Å; D83-K87 PolarHBondContact O-N 2.88Å; D83-K87 WeakPolarHBondContact OD1-CD 3.42Å; D83-K87 WeakPolarHBondContact OD1-CE 3.35Å; D83-K87 IonicContact OD1-NZ 2.7Å; D83-K87 PolarHBondContact OD1-NZ 3.18Å; D83-K87 IonicContact OD2-NZ 3.36Å; D83-K87 PolarHBondContact OD2-NZ 3.38Å; K87-Q91 HydrophobicContact CB-CB 4.39Å; K87-Q91 HydrophobicContact CD-CG 4.02Å; K87-R92 HydrophobicContact CB-CG 3.88Å; K87-R92 WeakPolarHBondContact O-CD 3.36Å; K87-D95 IonicContact NZ-OD2 2.74Å; K87-D95 PolarHBondContact NZ-OD2 3.47Å
88	P	91.7	Very high	92.2	Very high	82 Å²	82	60.5 Å²	60.5	53%	0.532	33%	0.332	S	S	.	.			trans	-65.4	154.8	171.4	30.3	-35.8	0	0	0	111.1	I90 Q91 R92	P88-I90 HydrophobicContact CB-CG2 4.48Å; P88-I90 HydrophobicContact CG-CG2 4.41Å; P88-I90 PolarHBondContact O-N 2.83Å; P88-I90 VanDerWaalsContact O-N 3.14Å; P88-Q91 HydrophobicContact CG-CB 4.15Å; P88-Q91 PolarHBondContact O-N 3.07Å; P88-R92 PolarHBondContact O-N 3.05Å; P88-R92 VanDerWaalsContact O-N 3.09Å
89	L	90.8	Very high	92.4	Very high	21 Å²	21	58.8 Å²	58.8	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-35.2	-173	-174.2	54.7	0	0	0	113	Q91 R92 C93 W130 E141 L144 V145	L89-Q91 PolarHBondContact O-N 2.74Å; L89-R92 WeakPolarHBondContact O-CB 3.46Å; L89-R92 PolarHBondContact O-N 3.08Å; L89-C93 PolarHBondContact O-N 3.02Å; L89-C93 PolarHBondContact O-SG 3.17Å; L89-W130 HydrophobicContact CD1-CD2 3.92Å; L89-W130 HydrophobicContact CD1-CE3 4.3Å; L89-W130 HydrophobicContact CD1-CG 4.48Å; L89-W130 HydrophobicContact CD1-CH2 4.09Å; L89-W130 HydrophobicContact CD1-CZ2 3.68Å; L89-W130 HydrophobicContact CD1-CZ3 4.38Å; L89-W130 HydrophobicContact CD2-CD2 4.43Å; L89-E141 VanDerWaalsContact CB-OE1 3.28Å; L89-E141 WeakPolarHBondContact CB-OE1 3.39Å; L89-E141 HydrophobicContact CD2-CB 4.35Å; L89-L144 HydrophobicContact CG-CD2 4.25Å; L89-V145 HydrophobicContact CD2-CG2 3.63Å
90	I	92.3	Very high	92.6	Very high	91 Å²	91	55.7 Å²	55.7	47%	0.467	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-39.7	176.7	-167.5	157	0	0	0	113.6	P88 Q94 L144	P88-I90 HydrophobicContact CB-CG2 4.48Å; P88-I90 HydrophobicContact CG-CG2 4.41Å; P88-I90 PolarHBondContact O-N 2.83Å; P88-I90 VanDerWaalsContact O-N 3.14Å; I90-Q94 VanDerWaalsContact O-CG 3.32Å; I90-Q94 WeakPolarHBondContact O-CG 3.18Å; I90-Q94 PolarHBondContact O-N 2.73Å; I90-Q94 VanDerWaalsContact O-N 3.17Å; I90-L144 HydrophobicContact CB-CD2 3.87Å; I90-L144 HydrophobicContact CG1-CD1 4.06Å; I90-L144 HydrophobicContact CG1-CD2 4.17Å
91	Q	93.6	Very high	92.7	Very high	70 Å²	70	58.5 Å²	58.5	33%	0.327	31%	0.313	S	S	.	.	H	α-helix	trans	-71.2	-41.1	174.5	-168.4	63.5	55.5	0	0	110.5	K87 P88 L89 C93 Q94 D95	K87-Q91 HydrophobicContact CB-CB 4.39Å; K87-Q91 HydrophobicContact CD-CG 4.02Å; P88-Q91 HydrophobicContact CG-CB 4.15Å; P88-Q91 PolarHBondContact O-N 3.07Å; L89-Q91 PolarHBondContact O-N 2.74Å; Q91-C93 VanDerWaalsContact C-N 3.33Å; Q91-C93 PolarHBondContact O-N 2.94Å; Q91-Q94 PolarHBondContact O-N 3.5Å; Q91-D95 PolarHBondContact NE2-OD1 3Å; Q91-D95 WeakPolarHBondContact O-CB 2.97Å; Q91-D95 VanDerWaalsContact O-CG 3.26Å; Q91-D95 PolarHBondContact O-N 2.92Å
92	R	94.2	Very high	92.8	Very high	37 Å²	37	60.1 Å²	60.1	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-44.9	175.7	-67.1	174	57.6	175.4	0.9	111.7	A84 K87 P88 L89 L96 N118	A84-R92 VanDerWaalsContact CA-CZ 3.49Å; A84-R92 PolarHBondContact O-NH1 2.83Å; K87-R92 HydrophobicContact CB-CG 3.88Å; K87-R92 WeakPolarHBondContact O-CD 3.36Å; P88-R92 PolarHBondContact O-N 3.05Å; P88-R92 VanDerWaalsContact O-N 3.09Å; L89-R92 WeakPolarHBondContact O-CB 3.46Å; L89-R92 PolarHBondContact O-N 3.08Å; R92-L96 VanDerWaalsContact O-CB 3.23Å; R92-L96 WeakPolarHBondContact O-CB 3.46Å; R92-L96 WeakPolarHBondContact O-CD1 3.44Å; R92-L96 WeakPolarHBondContact O-CG 3.25Å; R92-L96 PolarHBondContact O-N 2.96Å; R92-N118 PolarHBondContact NH2-OD1 2.9Å; R92-N118 VanDerWaalsContact NH2-OD1 3.12Å
93	C	94.8	Very high	93	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.034	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-38.1	176.9	-74	0	0	0	0	113	L89 Q91 L97 L144 F148	L89-C93 PolarHBondContact O-N 3.02Å; L89-C93 PolarHBondContact O-SG 3.17Å; Q91-C93 VanDerWaalsContact C-N 3.33Å; Q91-C93 PolarHBondContact O-N 2.94Å; C93-L97 WeakPolarHBondContact O-CB 3.43Å; C93-L97 PolarHBondContact O-N 3.04Å; C93-L144 HydrophobicContact CB-CD1 3.93Å; C93-L144 HydrophobicContact CB-CD2 4.28Å; C93-L144 HydrophobicContact CB-CG 4.23Å; C93-F148 HydrophobicContact CB-CD2 4Å; C93-F148 HydrophobicContact CB-CE2 4.42Å
94	Q	93.6	Very high	93.2	Very high	96 Å²	96	62.8 Å²	62.8	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-68	-42.6	176.1	-72.4	175.4	12.8	0	0	112.5	I90 Q91 L97 K98	I90-Q94 VanDerWaalsContact O-CG 3.32Å; I90-Q94 WeakPolarHBondContact O-CG 3.18Å; I90-Q94 PolarHBondContact O-N 2.73Å; I90-Q94 VanDerWaalsContact O-N 3.17Å; Q91-Q94 PolarHBondContact O-N 3.5Å; Q94-L97 PolarHBondContact O-N 3.14Å; Q94-K98 PolarHBondContact O-N 3.43Å
95	D	94.3	Very high	93.5	Very high	27 Å²	27	62.3 Å²	62.3	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-68	-43.4	178.2	-65.4	-9.6	0	0	0	110.5	K87 Q91 L97 K98 I99	K87-D95 IonicContact NZ-OD2 2.74Å; K87-D95 PolarHBondContact NZ-OD2 3.47Å; Q91-D95 PolarHBondContact NE2-OD1 3Å; Q91-D95 WeakPolarHBondContact O-CB 2.97Å; Q91-D95 VanDerWaalsContact O-CG 3.26Å; Q91-D95 PolarHBondContact O-N 2.92Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 3.43Å; D95-K98 PolarHBondContact O-N 3.13Å; D95-I99 WeakPolarHBondContact O-CD1 3.36Å; D95-I99 VanDerWaalsContact O-CG1 3.32Å; D95-I99 WeakPolarHBondContact O-CG1 3.23Å; D95-I99 PolarHBondContact O-N 3.36Å
96	L	95.6	Very high	93.8	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-37.3	174.1	-76.6	168.5	0	0	0	112.9	L80 R92 I99 I100 L115 F148	L80-L96 HydrophobicContact CD1-CD2 4.23Å; L80-L96 HydrophobicContact CD2-CD2 3.86Å; L80-L96 HydrophobicContact CD2-CG 4.45Å; R92-L96 VanDerWaalsContact O-CB 3.23Å; R92-L96 WeakPolarHBondContact O-CB 3.46Å; R92-L96 WeakPolarHBondContact O-CD1 3.44Å; R92-L96 WeakPolarHBondContact O-CG 3.25Å; R92-L96 PolarHBondContact O-N 2.96Å; L96-I99 PolarHBondContact O-N 2.91Å; L96-I100 WeakPolarHBondContact O-CB 3.5Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.1Å; L96-L115 HydrophobicContact CD1-CD1 3.73Å; L96-L115 HydrophobicContact CD2-CD1 4.3Å; L96-L115 HydrophobicContact CD2-CD2 4.31Å; L96-F148 HydrophobicContact CB-CE2 4.01Å; L96-F148 HydrophobicContact CB-CZ 4Å; L96-F148 HydrophobicContact CD1-CZ 4.1Å
97	L	95.5	Very high	94	Very high	79 Å²	79	62.9 Å²	62.9	41%	0.414	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-46.4	177	-175.3	158.4	0	0	0	111.2	C93 Q94 D95 I100 D101 P154	C93-L97 WeakPolarHBondContact O-CB 3.43Å; C93-L97 PolarHBondContact O-N 3.04Å; Q94-L97 PolarHBondContact O-N 3.14Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 3.43Å; L97-I100 PolarHBondContact O-N 3.17Å; L97-D101 PolarHBondContact O-N 3.32Å; L97-P154 HydrophobicContact CB-CG 4.48Å; L97-P154 HydrophobicContact CD1-CG 3.83Å; L97-P154 HydrophobicContact CG-CG 4.04Å
98	K	95.1	Very high	94.1	Very high	110 Å²	110	59.7 Å²	59.7	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-47	175.2	-64.8	174	-174.4	169.7	0	111.5	Q94 D95 I100 D101 E102	Q94-K98 PolarHBondContact O-N 3.43Å; D95-K98 PolarHBondContact O-N 3.13Å; K98-I100 PolarHBondContact O-N 3.3Å; K98-D101 PolarHBondContact O-N 2.99Å; K98-E102 WeakPolarHBondContact O-CB 3.42Å; K98-E102 WeakPolarHBondContact O-CG 3.33Å; K98-E102 PolarHBondContact O-N 3.44Å
99	I	95.3	Very high	94.3	Very high	21 Å²	21	57.8 Å²	57.8	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-47.7	179.1	-68.8	161.9	0	0	0	110.9	L76 L80 D95 L96 D101 Y103 L108 I111	L76-I99 HydrophobicContact CD1-CD1 4.07Å; L76-I99 HydrophobicContact CD1-CG1 4.37Å; L76-I99 HydrophobicContact CD1-CG2 4.24Å; L76-I99 HydrophobicContact CD2-CG2 4.11Å; L80-I99 HydrophobicContact CD2-CD1 3.9Å; L80-I99 HydrophobicContact CG-CD1 4.48Å; D95-I99 WeakPolarHBondContact O-CD1 3.36Å; D95-I99 VanDerWaalsContact O-CG1 3.32Å; D95-I99 WeakPolarHBondContact O-CG1 3.23Å; D95-I99 PolarHBondContact O-N 3.36Å; L96-I99 PolarHBondContact O-N 2.91Å; I99-D101 PolarHBondContact O-N 2.83Å; I99-Y103 HydrophobicContact CB-CD2 4.26Å; I99-Y103 HydrophobicContact CG1-CD2 4.36Å; I99-Y103 HydrophobicContact CG1-CE2 4.17Å; I99-Y103 HydrophobicContact CG2-CD2 4.02Å; I99-Y103 HydrophobicContact CG2-CG 4.2Å; I99-Y103 VanDerWaalsContact O-CB 3.28Å; I99-Y103 WeakPolarHBondContact O-CB 3.17Å; I99-Y103 PolarHBondContact O-N 3.46Å; I99-L108 HydrophobicContact CG2-CD2 3.85Å; I99-I111 HydrophobicContact CG2-CD1 4.06Å
100	I	95.7	Very high	94.4	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-36.5	179	-73.2	165.8	0	0	0	111.9	L96 L97 K98 F148 P154 L158 K161	L96-I100 WeakPolarHBondContact O-CB 3.5Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.1Å; L97-I100 PolarHBondContact O-N 3.17Å; K98-I100 PolarHBondContact O-N 3.3Å; I100-F148 HydrophobicContact CD1-CE2 4.45Å; I100-F148 HydrophobicContact CD1-CZ 4.14Å; I100-P154 HydrophobicContact CD1-CB 4.08Å; I100-L158 HydrophobicContact CD1-CB 4.11Å; I100-L158 HydrophobicContact CD1-CD2 4.06Å; I100-L158 HydrophobicContact CG1-CB 4.08Å; I100-L158 HydrophobicContact CG1-CD1 4.32Å; I100-L158 HydrophobicContact CG1-CD2 4.05Å; I100-L158 HydrophobicContact CG1-CG 4.38Å; I100-L158 HydrophobicContact CG2-CB 3.92Å; I100-K161 PolarHBondContact O-NZ 2.6Å
101	D	93.9	Very high	94.6	Very high	69 Å²	69	55 Å²	55	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-80	-52.6	-179	-79.9	17	0	0	0	111.9	L97 K98 I99 K157 K161	L97-D101 PolarHBondContact O-N 3.32Å; K98-D101 PolarHBondContact O-N 2.99Å; I99-D101 PolarHBondContact O-N 2.83Å; D101-K157 WeakPolarHBondContact OD1-CD 3.34Å; D101-K157 WeakPolarHBondContact OD1-CE 3.14Å; D101-K157 IonicContact OD1-NZ 2.83Å; D101-K157 PolarHBondContact OD1-NZ 3.42Å; D101-K157 IonicContact OD2-NZ 3.95Å; D101-K157 PolarHBondContact OD2-NZ 3.22Å; D101-K161 PolarHBondContact O-NZ 2.8Å
102	E	95	Very high	94.8	Very high	144 Å²	144	51.6 Å²	51.6	67%	0.673	25%	0.248	S	C	*	.	H	α-helix	trans	-77.2	-36.5	-171.1	-65.3	169.3	-159.3	0	0	113.9	K98	K98-E102 WeakPolarHBondContact O-CB 3.42Å; K98-E102 WeakPolarHBondContact O-CG 3.33Å; K98-E102 PolarHBondContact O-N 3.44Å
103	Y	94.9	Very high	94.9	Very high	80 Å²	80	52.2 Å²	52.2	31%	0.314	26%	0.257	S	S	.	.	S	Bend	trans	-81.5	150.1	-170.9	-80	-114.6	0	0	0	113.4	L76 I99 E107 L108 K161	L76-Y103 HydrophobicContact CD1-CE1 4.05Å; L76-Y103 HydrophobicContact CD2-CD1 3.82Å; L76-Y103 HydrophobicContact CD2-CE1 3.95Å; L76-Y103 HydrophobicContact CD2-CG 4.5Å; I99-Y103 HydrophobicContact CB-CD2 4.26Å; I99-Y103 HydrophobicContact CG1-CD2 4.36Å; I99-Y103 HydrophobicContact CG1-CE2 4.17Å; I99-Y103 HydrophobicContact CG2-CD2 4.02Å; I99-Y103 HydrophobicContact CG2-CG 4.2Å; I99-Y103 VanDerWaalsContact O-CB 3.28Å; I99-Y103 WeakPolarHBondContact O-CB 3.17Å; I99-Y103 PolarHBondContact O-N 3.46Å; Y103-E107 HydrophobicContact CD1-CB 4.2Å; Y103-E107 WeakPolarHBondContact CD1-OE2 3.49Å; Y103-E107 WeakPolarHBondContact CE1-OE2 3.46Å; Y103-L108 WeakPolarHBondContact O-CD1 3.28Å; Y103-K161 VanDerWaalsContact O-CE 3.31Å; Y103-K161 WeakPolarHBondContact O-CE 3.22Å; Y103-K161 PolarHBondContact O-NZ 2.9Å
104	P	94	Very high	94.9	Very high	68 Å²	68	53.4 Å²	53.4	44%	0.442	26%	0.26	S	S	.	.			trans	-69.2	149.9	175.4	29.9	-35.4	0	0	0	111.7	K106 E107 L108	P104-K106 PolarHBondContact O-N 3.41Å; P104-K106 VanDerWaalsContact O-N 3.07Å; P104-E107 HydrophobicContact CG-CB 4.36Å; P104-E107 HydrophobicContact CG-CG 4.13Å; P104-E107 WeakPolarHBondContact CG-OE1 3.47Å; P104-E107 PolarHBondContact O-N 3Å; P104-L108 PolarHBondContact O-N 3.23Å
105	A	93.6	Very high	95	Very high	10 Å²	10	48.9 Å²	48.9	8%	0.083	24%	0.239	C	C	.	.	H	α-helix	trans	-54.6	-32	-178.7	0	0	0	0	0	113.4	E107 L108 H109 L162 E165 Y167	A105-E107 VanDerWaalsContact C-N 3.34Å; A105-E107 PolarHBondContact O-N 3Å; A105-L108 PolarHBondContact O-N 3.42Å; A105-H109 WeakPolarHBondContact O-CB 3.4Å; A105-H109 PolarHBondContact O-N 3.35Å; A105-L162 HydrophobicContact CB-CD2 4.47Å; A105-L162 WeakPolarHBondContact O-CD2 3.3Å; A105-E165 HydrophobicContact CB-CG 3.74Å; A105-Y167 HydrophobicContact CB-CE2 4.3Å
106	K	93.2	Very high	95.2	Very high	156 Å²	156	47.7 Å²	47.7	68%	0.678	23%	0.233	S	C	*	.	H	α-helix	trans	-58.9	-37.1	175.1	-177	-178	175.7	-173.7	0	114.2	P104 Y167	P104-K106 PolarHBondContact O-N 3.41Å; P104-K106 VanDerWaalsContact O-N 3.07Å; K106-Y167 WeakPolarHBondContact CA-OH 3.48Å
107	E	94	Very high	95.1	Very high	83 Å²	83	50.8 Å²	50.8	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-83.9	-38.1	177.4	-71.3	-178.5	-118.7	0	0	111	L76 Y103 P104 A105 H109 L110	L76-E107 HydrophobicContact CD2-CB 4.45Å; Y103-E107 HydrophobicContact CD1-CB 4.2Å; Y103-E107 WeakPolarHBondContact CD1-OE2 3.49Å; Y103-E107 WeakPolarHBondContact CE1-OE2 3.46Å; P104-E107 HydrophobicContact CG-CB 4.36Å; P104-E107 HydrophobicContact CG-CG 4.13Å; P104-E107 WeakPolarHBondContact CG-OE1 3.47Å; P104-E107 PolarHBondContact O-N 3Å; A105-E107 VanDerWaalsContact C-N 3.34Å; A105-E107 PolarHBondContact O-N 3Å; E107-H109 VanDerWaalsContact C-N 3.27Å; E107-H109 PolarHBondContact O-N 2.86Å; E107-L110 PolarHBondContact O-N 3.3Å; E107-L110 VanDerWaalsContact O-N 3.15Å
108	L	95.8	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-34.6	175.3	-67.2	177.5	0	0	0	112.8	I99 Y103 P104 A105 L110 I111 F112 L158 K161 L162	I99-L108 HydrophobicContact CG2-CD2 3.85Å; Y103-L108 WeakPolarHBondContact O-CD1 3.28Å; P104-L108 PolarHBondContact O-N 3.23Å; A105-L108 PolarHBondContact O-N 3.42Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.93Å; L108-I111 HydrophobicContact CD2-CD1 4.04Å; L108-I111 VanDerWaalsContact O-CG1 3.29Å; L108-I111 WeakPolarHBondContact O-CG1 3.48Å; L108-I111 PolarHBondContact O-N 3.34Å; L108-F112 WeakPolarHBondContact O-CB 3.38Å; L108-F112 PolarHBondContact O-N 3.39Å; L108-F112 VanDerWaalsContact O-N 3.09Å; L108-L158 HydrophobicContact CB-CD1 3.78Å; L108-L158 HydrophobicContact CD1-CD1 3.96Å; L108-L158 HydrophobicContact CD2-CD1 4.17Å; L108-L158 HydrophobicContact CG-CD1 4.19Å; L108-K161 HydrophobicContact CD1-CD 3.81Å; L108-L162 HydrophobicContact CB-CD2 4.1Å
109	H	95.1	Very high	95.1	Very high	41 Å²	41	43 Å²	43	19%	0.19	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-38.2	175.1	172.3	56.7	0	0	0	112.5	A105 E107 P113 L162 Y167 Y169	A105-H109 WeakPolarHBondContact O-CB 3.4Å; A105-H109 PolarHBondContact O-N 3.35Å; E107-H109 VanDerWaalsContact C-N 3.27Å; E107-H109 PolarHBondContact O-N 2.86Å; H109-P113 WeakPolarHBondContact O-CD 3.23Å; H109-L162 HydrophobicContact CB-CD2 3.88Å; H109-Y167 HydrophobicContact CB-CD1 4.25Å; H109-Y167 HydrophobicContact CB-CD2 4.11Å; H109-Y167 HydrophobicContact CB-CE1 4.1Å; H109-Y167 HydrophobicContact CB-CE2 3.93Å; H109-Y167 HydrophobicContact CB-CG 4.28Å; H109-Y167 AromaticContact CD2-CD1 3.68Å; H109-Y167 AromaticContact CD2-CE1 3.57Å; H109-Y167 AromaticContact CE1-CD1 3.54Å; H109-Y167 AromaticContact CG-CD1 3.54Å; H109-Y167 AromaticContact CG-CE1 3.65Å; H109-Y167 AromaticContact CG-CG 3.85Å; H109-Y167 AromaticContact ND1-CD1 3.44Å; H109-Y167 WeakPolarHBondContact ND1-CD1 3.38Å; H109-Y167 AromaticContact ND1-CG 3.56Å; H109-Y167 AromaticContact NE2-CD1 3.69Å; H109-Y167 AromaticContact NE2-CE1 3.96Å; H109-Y169 AromaticContact CE1-CE1 3.43Å; H109-Y169 VanDerWaalsContact CE1-CE1 3.43Å; H109-Y169 WeakPolarHBondContact CE1-CE1 3.46Å; H109-Y169 AromaticContact CE1-CZ 3.88Å; H109-Y169 AromaticContact ND1-CE1 3.27Å; H109-Y169 VanDerWaalsContact ND1-CE1 3.27Å; H109-Y169 WeakPolarHBondContact ND1-CE1 3.2Å; H109-Y169 AromaticContact ND1-CZ 3.34Å; H109-Y169 VanDerWaalsContact ND1-CZ 3.34Å; H109-Y169 PolarHBondContact ND1-OH 2.9Å
110	L	94	Very high	95.1	Very high	52 Å²	52	42.6 Å²	42.6	27%	0.272	21%	0.209	S	C	.	.	H	α-helix	trans	-73.8	-26.6	-176.9	-55.4	178.2	0	0	0	112.9	E107 L108	E107-L110 PolarHBondContact O-N 3.3Å; E107-L110 VanDerWaalsContact O-N 3.15Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.93Å
111	I	95.6	Very high	95	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-94.5	-20	179.4	66.4	167.7	0	0	0	113.1	L76 L77 L80 I99 L108 W114 L115	L76-I111 HydrophobicContact CD2-CD1 4.17Å; L76-I111 HydrophobicContact CD2-CG2 4.01Å; L76-I111 HydrophobicContact CG-CG2 4.09Å; L77-I111 HydrophobicContact CB-CG2 4.05Å; L77-I111 HydrophobicContact CD1-CG2 4.26Å; L80-I111 HydrophobicContact CD1-CB 4.3Å; L80-I111 HydrophobicContact CD1-CD1 3.73Å; L80-I111 HydrophobicContact CD1-CG2 4.05Å; I99-I111 HydrophobicContact CG2-CD1 4.06Å; L108-I111 HydrophobicContact CD2-CD1 4.04Å; L108-I111 VanDerWaalsContact O-CG1 3.29Å; L108-I111 WeakPolarHBondContact O-CG1 3.48Å; L108-I111 PolarHBondContact O-N 3.34Å; I111-W114 PolarHBondContact O-N 3.34Å; I111-L115 WeakPolarHBondContact O-CB 3.42Å; I111-L115 PolarHBondContact O-N 3.15Å
112	F	97.4	Very high	94.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-46.5	-171.8	176	-100	0	0	0	114.6	L108 W114 L115 V116 M155 L158 V159 L162 Y169 P215 F218 F219	L108-F112 WeakPolarHBondContact O-CB 3.38Å; L108-F112 PolarHBondContact O-N 3.39Å; L108-F112 VanDerWaalsContact O-N 3.09Å; F112-W114 VanDerWaalsContact C-N 3.34Å; F112-W114 PolarHBondContact O-N 3.44Å; F112-L115 PolarHBondContact O-N 3.1Å; F112-V116 HydrophobicContact CD1-CG2 4.29Å; F112-V116 HydrophobicContact CD2-CG2 4.13Å; F112-V116 HydrophobicContact CE1-CG2 3.99Å; F112-V116 HydrophobicContact CE2-CG2 3.79Å; F112-V116 HydrophobicContact CG-CG2 4.39Å; F112-V116 HydrophobicContact CZ-CG2 3.73Å; F112-V116 WeakPolarHBondContact O-CG2 3.02Å; F112-V116 PolarHBondContact O-N 3.07Å; F112-M155 HydrophobicContact CD2-CE 4.32Å; F112-M155 HydrophobicContact CE2-CE 4Å; F112-L158 HydrophobicContact CD2-CD2 3.82Å; F112-L158 HydrophobicContact CD2-CG 3.98Å; F112-V159 HydrophobicContact CE2-CG2 3.69Å; F112-V159 HydrophobicContact CZ-CG2 3.91Å; F112-L162 HydrophobicContact CB-CD1 3.66Å; F112-L162 HydrophobicContact CD1-CD1 4.23Å; F112-L162 HydrophobicContact CD2-CD1 3.58Å; F112-L162 HydrophobicContact CE2-CD1 4.22Å; F112-L162 HydrophobicContact CG-CD1 3.56Å; F112-Y169 HydrophobicContact CD1-CD1 4.36Å; F112-Y169 AromaticContact CD1-CD2 3.92Å; F112-Y169 HydrophobicContact CD1-CD2 3.92Å; F112-Y169 AromaticContact CD1-CE1 3.84Å; F112-Y169 HydrophobicContact CD1-CE1 3.84Å; F112-Y169 AromaticContact CD1-CE2 3.33Å; F112-Y169 HydrophobicContact CD1-CE2 3.33Å; F112-Y169 HydrophobicContact CD1-CG 4.39Å; F112-Y169 AromaticContact CD1-CZ 3.3Å; F112-Y169 AromaticContact CE1-CD2 3.72Å; F112-Y169 HydrophobicContact CE1-CD2 3.72Å; F112-Y169 AromaticContact CE1-CE2 3.39Å; F112-Y169 HydrophobicContact CE1-CE2 3.39Å; F112-Y169 HydrophobicContact CE1-CG 4.45Å; F112-Y169 AromaticContact CE1-CZ 3.9Å; F112-Y169 HydrophobicContact CG-CE2 4.39Å; F112-P215 HydrophobicContact CE1-CB 4.46Å; F112-P215 HydrophobicContact CZ-CB 4.46Å; F112-F218 HydrophobicContact CD1-CD1 4.36Å; F112-F218 AromaticContact CE1-CD1 3.59Å; F112-F218 HydrophobicContact CE1-CD1 3.59Å; F112-F218 HydrophobicContact CE1-CE1 4.19Å; F112-F218 HydrophobicContact CE1-CG 4.46Å; F112-F218 HydrophobicContact CZ-CD1 4.28Å; F112-F219 HydrophobicContact CZ-CB 4.48Å
113	P	96.3	Very high	94.6	Very high	50 Å²	50	34.6 Å²	34.6	33%	0.325	17%	0.173	S	C	.	.	H	α-helix	trans	-59.4	-43.6	177.8	-25.1	35.5	0	0	0	112.7	H109 V116 E117 Y169	H109-P113 WeakPolarHBondContact O-CD 3.23Å; P113-V116 PolarHBondContact O-N 2.59Å; P113-E117 WeakPolarHBondContact O-CB 3.23Å; P113-E117 PolarHBondContact O-N 3.12Å; P113-Y169 HydrophobicContact CG-CD1 3.66Å; P113-Y169 HydrophobicContact CG-CE1 3.7Å
114	W	95.3	Very high	94.2	Very high	30 Å²	30	34.7 Å²	34.7	11%	0.114	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-36.8	176.8	170.8	81.9	0	0	0	112.4	L77 L80 K81 A84 I111 F112 N118	L77-W114 HydrophobicContact CD1-CB 3.8Å; L77-W114 HydrophobicContact CD1-CD2 3.59Å; L77-W114 HydrophobicContact CD1-CE3 3.82Å; L77-W114 HydrophobicContact CD1-CG 3.59Å; L80-W114 HydrophobicContact CB-CH2 3.73Å; L80-W114 HydrophobicContact CB-CZ3 3.73Å; L80-W114 HydrophobicContact CD1-CZ3 4.28Å; L80-W114 WeakPolarHBondContact O-CH2 3.49Å; K81-W114 VanDerWaalsContact CE-CD1 3.42Å; K81-W114 HydrophobicContact CG-CD2 4.49Å; K81-W114 HydrophobicContact CG-CZ2 3.84Å; A84-W114 HydrophobicContact CB-CH2 4.2Å; A84-W114 HydrophobicContact CB-CZ2 3.9Å; I111-W114 PolarHBondContact O-N 3.34Å; F112-W114 VanDerWaalsContact C-N 3.34Å; F112-W114 PolarHBondContact O-N 3.44Å; W114-N118 PolarHBondContact NE1-ND2 3.45Å; W114-N118 WeakPolarHBondContact O-CB 3.47Å; W114-N118 PolarHBondContact O-N 3.22Å; W114-N118 PolarHBondContact O-ND2 3.06Å
115	L	96.4	Very high	93.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-68.2	-41.4	176.4	-179.2	58.8	0	0	0	111.6	L96 I111 F112 N118 V119 M155 L158	L96-L115 HydrophobicContact CD1-CD1 3.73Å; L96-L115 HydrophobicContact CD2-CD1 4.3Å; L96-L115 HydrophobicContact CD2-CD2 4.31Å; I111-L115 WeakPolarHBondContact O-CB 3.42Å; I111-L115 PolarHBondContact O-N 3.15Å; F112-L115 PolarHBondContact O-N 3.1Å; L115-N118 PolarHBondContact O-N 2.95Å; L115-V119 HydrophobicContact CD1-CG2 4.42Å; L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 3.01Å; L115-M155 HydrophobicContact CD2-CE 4.21Å; L115-M155 HydrophobicContact CD2-SD 3.66Å; L115-M155 HydrophobicContact CG-CE 4.05Å; L115-M155 HydrophobicContact CG-SD 3.99Å; L115-L158 HydrophobicContact CD2-CD2 3.68Å
116	V	97.2	Very high	93.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-45.9	174.6	172.7	0	0	0	0	110.8	F112 P113 N118 V119 F120 M155 F218 N222	F112-V116 HydrophobicContact CD1-CG2 4.29Å; F112-V116 HydrophobicContact CD2-CG2 4.13Å; F112-V116 HydrophobicContact CE1-CG2 3.99Å; F112-V116 HydrophobicContact CE2-CG2 3.79Å; F112-V116 HydrophobicContact CG-CG2 4.39Å; F112-V116 HydrophobicContact CZ-CG2 3.73Å; F112-V116 WeakPolarHBondContact O-CG2 3.02Å; F112-V116 PolarHBondContact O-N 3.07Å; P113-V116 PolarHBondContact O-N 2.59Å; V116-N118 PolarHBondContact O-N 3.06Å; V116-V119 PolarHBondContact O-N 3.27Å; V116-F120 HydrophobicContact CG1-CD2 3.89Å; V116-F120 HydrophobicContact CG1-CE2 4.38Å; V116-F120 WeakPolarHBondContact O-CD2 3.31Å; V116-F120 PolarHBondContact O-N 3.07Å; V116-M155 HydrophobicContact CG2-CE 3.53Å; V116-F218 HydrophobicContact CB-CE1 3.94Å; V116-F218 HydrophobicContact CG1-CD1 4.23Å; V116-F218 HydrophobicContact CG1-CE1 3.73Å; V116-F218 HydrophobicContact CG2-CD1 4.27Å; V116-F218 HydrophobicContact CG2-CE1 4.06Å; V116-N222 HydrophobicContact CG1-CB 3.51Å; V116-N222 VanDerWaalsContact CG1-CG 3.42Å
117	E	94.9	Very high	93.1	Very high	70 Å²	70	32.7 Å²	32.7	33%	0.327	18%	0.176	S	C	.	.	H	α-helix	trans	-61.8	-40.1	173.7	178.5	177.1	-109.9	0	0	112.5	P113 V119 G121 S122 I127	P113-E117 WeakPolarHBondContact O-CB 3.23Å; P113-E117 PolarHBondContact O-N 3.12Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 3.44Å; E117-G121 CarbonylContact O-C 3.59Å; E117-G121 WeakPolarHBondContact O-CA 3.49Å; E117-G121 PolarHBondContact O-N 3.21Å; E117-S122 WeakPolarHBondContact OE1-CB 3.32Å; E117-I127 HydrophobicContact CG-CD1 4.23Å
118	N	94.1	Very high	92.6	Very high	24 Å²	24	32.3 Å²	32.3	13%	0.128	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-33.7	175.9	-94	-112.4	0	0	0	112.6	R92 W114 L115 V116 G129 W130	R92-N118 PolarHBondContact NH2-OD1 2.9Å; R92-N118 VanDerWaalsContact NH2-OD1 3.12Å; W114-N118 PolarHBondContact NE1-ND2 3.45Å; W114-N118 WeakPolarHBondContact O-CB 3.47Å; W114-N118 PolarHBondContact O-N 3.22Å; W114-N118 PolarHBondContact O-ND2 3.06Å; L115-N118 PolarHBondContact O-N 2.95Å; V116-N118 PolarHBondContact O-N 3.06Å; N118-G129 CarbonylContact O-C 3.16Å; N118-G129 WeakPolarHBondContact O-CA 3.44Å; N118-W130 PolarHBondContact O-N 3.28Å; N118-W130 PolarHBondContact O-NE1 3.01Å
119	V	95.8	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-77.8	-56	179.3	167.7	0	0	0	0	111.1	L115 V116 E117 W130 L132 L149	L115-V119 HydrophobicContact CD1-CG2 4.42Å; L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 3.01Å; V116-V119 PolarHBondContact O-N 3.27Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 3.44Å; V119-W130 HydrophobicContact CG2-CD2 3.99Å; V119-W130 HydrophobicContact CG2-CE3 4.05Å; V119-W130 HydrophobicContact CG2-CH2 3.95Å; V119-W130 HydrophobicContact CG2-CZ2 3.87Å; V119-W130 HydrophobicContact CG2-CZ3 4.04Å; V119-W130 PolarHBondContact O-N 2.82Å; V119-W130 VanDerWaalsContact O-N 3.07Å; V119-L132 HydrophobicContact CG1-CD1 3.99Å; V119-L149 HydrophobicContact CG1-CD1 3.59Å; V119-L149 HydrophobicContact CG1-CD2 3.71Å; V119-L149 HydrophobicContact CG1-CG 4.33Å; V119-L149 HydrophobicContact CG2-CD2 4.02Å
120	F	95.3	Very high	92.3	Very high	14 Å²	14	32.6 Å²	32.6	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-94.4	-17.2	-168.8	-64.3	-66.5	0	0	0	114.9	V116 L132 F219 N222 L223 C226	V116-F120 HydrophobicContact CG1-CD2 3.89Å; V116-F120 HydrophobicContact CG1-CE2 4.38Å; V116-F120 WeakPolarHBondContact O-CD2 3.31Å; V116-F120 PolarHBondContact O-N 3.07Å; F120-L132 HydrophobicContact CD1-CD1 3.72Å; F120-L132 HydrophobicContact CE1-CD1 3.73Å; F120-F219 HydrophobicContact CE2-CD2 4.07Å; F120-F219 AromaticContact CE2-CE2 3.65Å; F120-F219 HydrophobicContact CE2-CE2 3.65Å; F120-F219 HydrophobicContact CE2-CZ 4.08Å; F120-F219 HydrophobicContact CZ-CE1 4.4Å; F120-F219 AromaticContact CZ-CE2 3.79Å; F120-F219 HydrophobicContact CZ-CE2 3.79Å; F120-F219 AromaticContact CZ-CZ 3.73Å; F120-F219 HydrophobicContact CZ-CZ 3.73Å; F120-N222 HydrophobicContact CD2-CB 3.85Å; F120-N222 HydrophobicContact CE2-CB 4.43Å; F120-N222 HydrophobicContact CG-CB 4.34Å; F120-L223 HydrophobicContact CE1-CB 4.06Å; F120-L223 HydrophobicContact CE1-CD1 3.59Å; F120-L223 HydrophobicContact CE1-CG 4.44Å; F120-L223 HydrophobicContact CZ-CB 3.94Å; F120-L223 HydrophobicContact CZ-CD1 4.01Å; F120-C226 HydrophobicContact CB-CB 4.14Å; F120-C226 HydrophobicContact CD1-CB 3.98Å; F120-C226 HydrophobicContact CG-CB 4.45Å; F120-C226 PolarHBondContact O-SG 3.43Å
121	G	92.6	Very high	92.1	Very high	7 Å²	7	33.5 Å²	33.5	7%	0.072	19%	0.193	C	C	.	.			trans	96.1	168.1	-168.1	0	0	0	0	0	113.1	E117 I127	E117-G121 CarbonylContact O-C 3.59Å; E117-G121 WeakPolarHBondContact O-CA 3.49Å; E117-G121 PolarHBondContact O-N 3.21Å; G121-I127 CarbonylContact C-O 3.54Å; G121-I127 WeakPolarHBondContact CA-O 3.41Å
122	S	91.5	Very high	91.9	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.07	19%	0.193	C	C	.	.			trans	-80.2	152.1	174.9	61.4	0	0	0	0	111.3	E117 D124 G125 V126 I127	E117-S122 WeakPolarHBondContact OE1-CB 3.32Å; S122-D124 VanDerWaalsContact CB-OD1 3.3Å; S122-D124 WeakPolarHBondContact CB-OD1 3.46Å; S122-D124 PolarHBondContact O-N 3.23Å; S122-D124 PolarHBondContact OG-OD1 3.02Å; S122-G125 PolarHBondContact O-N 3.11Å; S122-V126 PolarHBondContact OG-N 3.06Å; S122-I127 PolarHBondContact N-O 3.06Å; S122-I127 PolarHBondContact OG-N 3.24Å
123	L	89.8	Confident	91.6	Very high	28 Å²	28	34.7 Å²	34.7	15%	0.147	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.7	-175.3	-60.6	-179.9	0	0	0	113.9	V171 Y175 F221 Y225	L123-V171 HydrophobicContact CD1-CG1 4.41Å; L123-Y175 HydrophobicContact CB-CD1 3.74Å; L123-Y175 HydrophobicContact CB-CD2 3.87Å; L123-Y175 HydrophobicContact CB-CE1 3.7Å; L123-Y175 HydrophobicContact CB-CE2 3.81Å; L123-Y175 HydrophobicContact CB-CG 3.82Å; L123-Y175 HydrophobicContact CD1-CD2 3.58Å; L123-Y175 HydrophobicContact CD1-CE2 4.01Å; L123-Y175 HydrophobicContact CD1-CG 3.97Å; L123-Y175 HydrophobicContact CG-CD2 4.38Å; L123-Y175 HydrophobicContact CG-CG 4.49Å; L123-Y175 VanDerWaalsContact O-CE1 3.26Å; L123-Y175 WeakPolarHBondContact O-CE1 3.36Å; L123-F221 HydrophobicContact CD1-CE1 4.05Å; L123-F221 HydrophobicContact CD2-CE1 3.84Å; L123-Y225 HydrophobicContact CB-CE1 4.27Å; L123-Y225 HydrophobicContact CD2-CD1 3.52Å; L123-Y225 HydrophobicContact CD2-CE1 3.96Å; L123-Y225 HydrophobicContact CD2-CG 3.9Å; L123-Y225 WeakPolarHBondContact O-CE1 3.45Å; L123-Y225 PolarHBondContact O-OH 3.04Å
124	D	85.8	Confident	91.2	Very high	83 Å²	83	36.7 Å²	36.7	44%	0.444	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.6	173.1	60.4	6.1	0	0	0	114	S122 V126	S122-D124 VanDerWaalsContact CB-OD1 3.3Å; S122-D124 WeakPolarHBondContact CB-OD1 3.46Å; S122-D124 PolarHBondContact O-N 3.23Å; S122-D124 PolarHBondContact OG-OD1 3.02Å; D124-V126 VanDerWaalsContact C-N 3.31Å; D124-V126 HydrophobicContact CB-CG2 4.38Å; D124-V126 PolarHBondContact O-N 2.89Å; D124-V126 WeakPolarHBondContact OD1-CB 3.46Å; D124-V126 WeakPolarHBondContact OD1-CG2 3.49Å; D124-V126 PolarHBondContact OD1-N 3.17Å; D124-V126 VanDerWaalsContact OD1-N 3.07Å; D124-V126 WeakPolarHBondContact OD2-CG2 3.35Å
125	G	83.7	Confident	91	Very high	12 Å²	12	36.2 Å²	36.2	12%	0.124	21%	0.205	C	C	.	.	S	Bend	trans	75.4	12.3	-178.3	0	0	0	0	0	115.2	S122 N232	S122-G125 PolarHBondContact O-N 3.11Å; G125-N232 PolarHBondContact O-ND2 2.77Å
126	V	87.1	Confident	90.6	Very high	104 Å²	104	37.9 Å²	37.9	63%	0.63	21%	0.213	S	C	*	.	S	Bend	trans	-73.5	-42.1	176.2	174.9	0	0	0	0	111.5	S122 D124	S122-V126 PolarHBondContact OG-N 3.06Å; D124-V126 VanDerWaalsContact C-N 3.31Å; D124-V126 HydrophobicContact CB-CG2 4.38Å; D124-V126 PolarHBondContact O-N 2.89Å; D124-V126 WeakPolarHBondContact OD1-CB 3.46Å; D124-V126 WeakPolarHBondContact OD1-CG2 3.49Å; D124-V126 PolarHBondContact OD1-N 3.17Å; D124-V126 VanDerWaalsContact OD1-N 3.07Å; D124-V126 WeakPolarHBondContact OD2-CG2 3.35Å
127	I	87.3	Confident	90.1	Very high	75 Å²	75	41.4 Å²	41.4	39%	0.385	24%	0.238	S	C	.	.			trans	-100.7	119.2	176.6	-61	169.9	0	0	0	108.2	E117 G121 S122 G129	E117-I127 HydrophobicContact CG-CD1 4.23Å; G121-I127 CarbonylContact C-O 3.54Å; G121-I127 WeakPolarHBondContact CA-O 3.41Å; S122-I127 PolarHBondContact N-O 3.06Å; S122-I127 PolarHBondContact OG-N 3.24Å; I127-G129 VanDerWaalsContact C-N 3.28Å; I127-G129 PolarHBondContact O-N 3.1Å
128	S	84.8	Confident	89.5	Confident	75 Å²	75	49.4 Å²	49.4	52%	0.524	27%	0.265	S	S	.	.			trans	-81.2	-1.9	-178.7	-46.5	0	0	0	0	115	N131	S128-N131 WeakPolarHBondContact CB-OD1 3.4Å; S128-N131 PolarHBondContact O-N 3.29Å; S128-N131 PolarHBondContact O-ND2 3.14Å
129	G	90.7	Very high	89.2	Confident	21 Å²	21	50.4 Å²	50.4	22%	0.216	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	-145.1	-177.3	0	0	0	0	0	113.8	N118 I127 N131	N118-G129 CarbonylContact O-C 3.16Å; N118-G129 WeakPolarHBondContact O-CA 3.44Å; I127-G129 VanDerWaalsContact C-N 3.28Å; I127-G129 PolarHBondContact O-N 3.1Å; G129-N131 PolarHBondContact O-N 3.05Å; G129-N131 VanDerWaalsContact O-N 3.17Å; G129-N131 PolarHBondContact O-ND2 2.86Å
130	W	92.3	Very high	88.8	Confident	26 Å²	26	58.2 Å²	58.2	10%	0.098	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	8.4	175.3	-65.3	0.8	0	0	0	113.2	L89 N118 V119 L132 V145 F148 L149	L89-W130 HydrophobicContact CD1-CD2 3.92Å; L89-W130 HydrophobicContact CD1-CE3 4.3Å; L89-W130 HydrophobicContact CD1-CG 4.48Å; L89-W130 HydrophobicContact CD1-CH2 4.09Å; L89-W130 HydrophobicContact CD1-CZ2 3.68Å; L89-W130 HydrophobicContact CD1-CZ3 4.38Å; L89-W130 HydrophobicContact CD2-CD2 4.43Å; N118-W130 PolarHBondContact O-N 3.28Å; N118-W130 PolarHBondContact O-NE1 3.01Å; V119-W130 HydrophobicContact CG2-CD2 3.99Å; V119-W130 HydrophobicContact CG2-CE3 4.05Å; V119-W130 HydrophobicContact CG2-CH2 3.95Å; V119-W130 HydrophobicContact CG2-CZ2 3.87Å; V119-W130 HydrophobicContact CG2-CZ3 4.04Å; V119-W130 PolarHBondContact O-N 2.82Å; V119-W130 VanDerWaalsContact O-N 3.07Å; W130-L132 VanDerWaalsContact C-N 3.27Å; W130-L132 HydrophobicContact CB-CD2 3.93Å; W130-L132 PolarHBondContact O-N 3.45Å; W130-V145 HydrophobicContact CE3-CG1 4.07Å; W130-V145 HydrophobicContact CE3-CG2 3.96Å; W130-V145 HydrophobicContact CZ3-CG1 4.46Å; W130-V145 HydrophobicContact CZ3-CG2 4.23Å; W130-F148 AromaticContact CH2-CD1 3.62Å; W130-F148 HydrophobicContact CH2-CD1 3.62Å; W130-F148 AromaticContact CH2-CE1 3.68Å; W130-F148 HydrophobicContact CH2-CE1 3.68Å; W130-F148 HydrophobicContact CH2-CG 4.4Å; W130-F148 HydrophobicContact CH2-CZ 4.49Å; W130-F148 AromaticContact CZ3-CD1 3.81Å; W130-F148 HydrophobicContact CZ3-CD1 3.81Å; W130-F148 HydrophobicContact CZ3-CE1 4.29Å; W130-L149 HydrophobicContact CE3-CD1 4.21Å; W130-L149 HydrophobicContact CZ3-CD1 4.24Å; W130-L149 HydrophobicContact CZ3-CD2 4.3Å; W130-L149 HydrophobicContact CZ3-CG 4.24Å
131	N	89.9	Confident	88.6	Confident	71 Å²	71	61.2 Å²	61.2	38%	0.38	33%	0.329	S	S	.	.			trans	50.4	43.3	177.4	-70.8	-94.5	0	0	0	113	S128 G129 R133 L134 L135	S128-N131 WeakPolarHBondContact CB-OD1 3.4Å; S128-N131 PolarHBondContact O-N 3.29Å; S128-N131 PolarHBondContact O-ND2 3.14Å; G129-N131 PolarHBondContact O-N 3.05Å; G129-N131 VanDerWaalsContact O-N 3.17Å; G129-N131 PolarHBondContact O-ND2 2.86Å; N131-R133 PolarHBondContact O-N 2.89Å; N131-L134 HydrophobicContact CB-CB 4.36Å; N131-L134 CarbonylContact O-C 3.49Å; N131-L134 WeakPolarHBondContact O-CA 3.21Å; N131-L134 PolarHBondContact O-N 3.25Å; N131-L135 PolarHBondContact O-N 3.23Å
132	L	92.6	Very high	88.6	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-27.1	-173.7	-56.4	-179.9	0	0	0	114.4	V119 F120 W130 L134 V145 L149 A245 Y246 L249	V119-L132 HydrophobicContact CG1-CD1 3.99Å; F120-L132 HydrophobicContact CD1-CD1 3.72Å; F120-L132 HydrophobicContact CE1-CD1 3.73Å; W130-L132 VanDerWaalsContact C-N 3.27Å; W130-L132 HydrophobicContact CB-CD2 3.93Å; W130-L132 PolarHBondContact O-N 3.45Å; L132-L134 VanDerWaalsContact C-N 3.34Å; L132-V145 HydrophobicContact CD2-CG1 3.48Å; L132-V145 VanDerWaalsContact CD2-CG1 3.48Å; L132-L149 HydrophobicContact CD1-CD1 3.96Å; L132-L149 HydrophobicContact CD2-CD1 3.82Å; L132-A245 PolarHBondContact O-N 3.09Å; L132-Y246 HydrophobicContact CB-CD2 4.45Å; L132-Y246 PolarHBondContact O-N 2.82Å; L132-L249 HydrophobicContact CD1-CD1 4.22Å
133	R	89.9	Confident	88.8	Confident	25 Å²	25	66.2 Å²	66.2	9%	0.094	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.7	178.8	-61.7	168.6	59.3	-171.3	4.8	114.2	N131 C226 L227 R231 Y246 E499	N131-R133 PolarHBondContact O-N 2.89Å; R133-C226 WeakPolarHBondContact CD-O 3.49Å; R133-C226 PolarHBondContact NH1-O 3.43Å; R133-L227 PolarHBondContact NH1-O 3.49Å; R133-L227 PolarHBondContact NH2-O 3.36Å; R133-L227 VanDerWaalsContact NH2-O 3.12Å; R133-R231 VanDerWaalsContact NE-NH2 3.16Å; R133-Y246 HydrophobicContact CG-CD1 4.03Å; R133-Y246 HydrophobicContact CG-CD2 4.14Å; R133-Y246 HydrophobicContact CG-CG 3.61Å; R133-E499 WeakPolarHBondContact CB-OE1 3.43Å; R133-E499 VanDerWaalsContact CG-OE1 3.29Å; R133-E499 WeakPolarHBondContact CG-OE1 3.17Å; R133-E499 IonicContact CZ-OE1 3.61Å; R133-E499 IonicContact CZ-OE2 3.62Å; R133-E499 VanDerWaalsContact NE-CD 3.33Å; R133-E499 IonicContact NE-OE1 3.92Å; R133-E499 PolarHBondContact NE-OE1 2.91Å; R133-E499 IonicContact NE-OE2 2.75Å; R133-E499 PolarHBondContact NE-OE2 3.15Å; R133-E499 IonicContact NH2-OE1 2.74Å; R133-E499 IonicContact NH2-OE2 3.64Å; R133-E499 PolarHBondContact NH2-OE2 3.11Å
134	L	88.3	Confident	89.1	Confident	93 Å²	93	66.6 Å²	66.6	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-13.4	174.6	-63.1	176.7	0	0	0	112.5	N131 L132 H136	N131-L134 HydrophobicContact CB-CB 4.36Å; N131-L134 CarbonylContact O-C 3.49Å; N131-L134 WeakPolarHBondContact O-CA 3.21Å; N131-L134 PolarHBondContact O-N 3.25Å; L132-L134 VanDerWaalsContact C-N 3.34Å; L134-H136 PolarHBondContact O-CE1 3.08Å; L134-H136 VanDerWaalsContact O-CE1 3.32Å; L134-H136 PolarHBondContact O-N 2.78Å; L134-H136 PolarHBondContact O-ND1 2.87Å
135	L	90.4	Very high	89.6	Confident	19 Å²	19	62.6 Å²	62.6	10%	0.099	33%	0.334	C	S	.	.			trans	-73.1	119	167.4	-175.4	63.7	0	0	0	109.3	N131 S139 E141 F142 V145 S244 A245	N131-L135 PolarHBondContact O-N 3.23Å; L135-S139 VanDerWaalsContact CD1-CB 3.49Å; L135-S139 WeakPolarHBondContact CD1-OG 3.22Å; L135-E141 HydrophobicContact CD1-CB 4.29Å; L135-F142 HydrophobicContact CG-CD2 4.31Å; L135-V145 HydrophobicContact CD2-CB 3.71Å; L135-V145 HydrophobicContact CD2-CG1 3.8Å; L135-V145 HydrophobicContact CD2-CG2 3.75Å; L135-S244 CarbonylContact O-C 3.51Å; L135-S244 WeakPolarHBondContact O-CA 3.45Å; L135-A245 HydrophobicContact CB-CB 4.08Å; L135-A245 HydrophobicContact CD2-CB 3.92Å; L135-A245 HydrophobicContact CG-CB 4.07Å; L135-A245 PolarHBondContact O-N 2.74Å
136	H	89.1	Confident	90.2	Very high	37 Å²	37	62.9 Å²	62.9	17%	0.171	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-122.7	164	-177.1	-63.1	85.6	0	0	0	111.4	L134 R138 S139 F142 C239	L134-H136 PolarHBondContact O-CE1 3.08Å; L134-H136 VanDerWaalsContact O-CE1 3.32Å; L134-H136 PolarHBondContact O-N 2.78Å; L134-H136 PolarHBondContact O-ND1 2.87Å; H136-R138 PolarHBondContact O-N 3.4Å; H136-S139 WeakPolarHBondContact O-CB 3.33Å; H136-S139 PolarHBondContact O-N 3.44Å; H136-F142 WeakPolarHBondContact O-CD2 3.49Å; H136-C239 VanDerWaalsContact CE1-SG 3.51Å; H136-C239 PolarHBondContact NE2-SG 2.89Å
137	S	86	Confident	90.6	Very high	75 Å²	75	63.1 Å²	63.1	52%	0.524	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-7.9	-175	59.4	0	0	0	0	117.6	F142 D243	S137-F142 VanDerWaalsContact N-CD2 3.34Å; S137-D243 PolarHBondContact N-O 2.96Å
138	R	83.7	Confident	91.1	Very high	238 Å²	238	60 Å²	60	90%	0.898	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.2	173.6	-59.3	-177.5	-174.5	173.3	2	113.9	H136	H136-R138 PolarHBondContact O-N 3.4Å
139	S	87.4	Confident	91.7	Very high	44 Å²	44	56.5 Å²	56.5	31%	0.308	29%	0.289	S	S	.	.	S	Bend	trans	-84.3	137.6	175.3	-179.5	0	0	0	0	110.9	L135 H136 E141 F142	L135-S139 VanDerWaalsContact CD1-CB 3.49Å; L135-S139 WeakPolarHBondContact CD1-OG 3.22Å; H136-S139 WeakPolarHBondContact O-CB 3.33Å; H136-S139 PolarHBondContact O-N 3.44Å; S139-E141 PolarHBondContact O-N 3.13Å; S139-E141 PolarHBondContact OG-N 3.31Å; S139-F142 WeakPolarHBondContact O-CB 3.36Å; S139-F142 PolarHBondContact O-N 2.83Å
140	N	86.9	Confident	92	Very high	165 Å²	165	56.6 Å²	56.6	88%	0.882	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23	173.4	-62.4	-16.1	0	0	0	112.5
141	E	90.6	Very high	92.1	Very high	76 Å²	76	55.8 Å²	55.8	36%	0.355	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.1	178.7	-60.4	-179.9	145.4	0	0	113.2	L89 L135 S139 V145	L89-E141 VanDerWaalsContact CB-OE1 3.28Å; L89-E141 WeakPolarHBondContact CB-OE1 3.39Å; L89-E141 HydrophobicContact CD2-CB 4.35Å; L135-E141 HydrophobicContact CD1-CB 4.29Å; S139-E141 PolarHBondContact O-N 3.13Å; S139-E141 PolarHBondContact OG-N 3.31Å; E141-V145 WeakPolarHBondContact O-CB 3.49Å; E141-V145 WeakPolarHBondContact O-CG2 3.49Å; E141-V145 PolarHBondContact O-N 2.87Å
142	F	94	Very high	92.1	Very high	15 Å²	15	57 Å²	57	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-54.8	-172.3	-179.6	-97.3	0	0	0	112.8	L135 H136 S137 S139 V145 L146 A245 V248	L135-F142 HydrophobicContact CG-CD2 4.31Å; H136-F142 WeakPolarHBondContact O-CD2 3.49Å; S137-F142 VanDerWaalsContact N-CD2 3.34Å; S139-F142 WeakPolarHBondContact O-CB 3.36Å; S139-F142 PolarHBondContact O-N 2.83Å; F142-V145 PolarHBondContact O-N 3.07Å; F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.43Å; F142-L146 HydrophobicContact CE1-CD1 3.43Å; F142-L146 VanDerWaalsContact CE1-CD1 3.43Å; F142-L146 HydrophobicContact CE1-CG 4.26Å; F142-L146 HydrophobicContact CZ-CD1 3.86Å; F142-L146 WeakPolarHBondContact O-CG 3.44Å; F142-L146 PolarHBondContact O-N 2.62Å; F142-A245 HydrophobicContact CD2-CB 3.94Å; F142-A245 HydrophobicContact CE2-CB 3.89Å; F142-V248 HydrophobicContact CZ-CG2 4.22Å
143	N	94.9	Very high	92.3	Very high	107 Å²	107	57.1 Å²	57.1	57%	0.572	30%	0.3	S	S	*	.	H	α-helix	trans	-64.4	-43.7	-178.5	-64.6	-31	0	0	0	111.4	V145 L146 D147	N143-V145 VanDerWaalsContact C-N 3.28Å; N143-V145 PolarHBondContact O-N 3.1Å; N143-L146 WeakPolarHBondContact O-CB 3.33Å; N143-L146 PolarHBondContact O-N 2.93Å; N143-L146 VanDerWaalsContact O-N 3.1Å; N143-D147 WeakPolarHBondContact O-CB 3.5Å; N143-D147 VanDerWaalsContact O-CG 3.23Å; N143-D147 PolarHBondContact O-N 3.01Å
144	L	95.4	Very high	92.6	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.188	30%	0.303	C	S	.	.	H	α-helix	trans	-50.9	-47.3	174.4	174.1	81.2	0	0	0	112.2	L89 I90 C93 D147 F148	L89-L144 HydrophobicContact CG-CD2 4.25Å; I90-L144 HydrophobicContact CB-CD2 3.87Å; I90-L144 HydrophobicContact CG1-CD1 4.06Å; I90-L144 HydrophobicContact CG1-CD2 4.17Å; C93-L144 HydrophobicContact CB-CD1 3.93Å; C93-L144 HydrophobicContact CB-CD2 4.28Å; C93-L144 HydrophobicContact CB-CG 4.23Å; L144-D147 PolarHBondContact O-N 2.97Å; L144-F148 VanDerWaalsContact O-CB 3.25Å; L144-F148 WeakPolarHBondContact O-CB 3.28Å; L144-F148 PolarHBondContact O-N 3.28Å
145	V	96.1	Very high	93	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71.1	-37.2	-179.5	170	0	0	0	0	111.5	L89 W130 L132 L135 E141 F142 N143 L149	L89-V145 HydrophobicContact CD2-CG2 3.63Å; W130-V145 HydrophobicContact CE3-CG1 4.07Å; W130-V145 HydrophobicContact CE3-CG2 3.96Å; W130-V145 HydrophobicContact CZ3-CG1 4.46Å; W130-V145 HydrophobicContact CZ3-CG2 4.23Å; L132-V145 HydrophobicContact CD2-CG1 3.48Å; L132-V145 VanDerWaalsContact CD2-CG1 3.48Å; L135-V145 HydrophobicContact CD2-CB 3.71Å; L135-V145 HydrophobicContact CD2-CG1 3.8Å; L135-V145 HydrophobicContact CD2-CG2 3.75Å; E141-V145 WeakPolarHBondContact O-CB 3.49Å; E141-V145 WeakPolarHBondContact O-CG2 3.49Å; E141-V145 PolarHBondContact O-N 2.87Å; F142-V145 PolarHBondContact O-N 3.07Å; N143-V145 VanDerWaalsContact C-N 3.28Å; N143-V145 PolarHBondContact O-N 3.1Å; V145-L149 HydrophobicContact CG1-CD1 3.73Å; V145-L149 HydrophobicContact CG1-CG 4.45Å; V145-L149 VanDerWaalsContact O-CB 3.3Å; V145-L149 WeakPolarHBondContact O-CB 3.49Å; V145-L149 WeakPolarHBondContact O-CG 3.38Å; V145-L149 PolarHBondContact O-N 2.68Å; V145-L149 VanDerWaalsContact O-N 3.08Å
146	L	96.1	Very high	93.3	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-48.1	171.9	-68.4	-173.4	0	0	0	111.6	F142 N143 S150 A245 V248 L249	F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.43Å; F142-L146 HydrophobicContact CE1-CD1 3.43Å; F142-L146 VanDerWaalsContact CE1-CD1 3.43Å; F142-L146 HydrophobicContact CE1-CG 4.26Å; F142-L146 HydrophobicContact CZ-CD1 3.86Å; F142-L146 WeakPolarHBondContact O-CG 3.44Å; F142-L146 PolarHBondContact O-N 2.62Å; N143-L146 WeakPolarHBondContact O-CB 3.33Å; N143-L146 PolarHBondContact O-N 2.93Å; N143-L146 VanDerWaalsContact O-N 3.1Å; L146-S150 WeakPolarHBondContact O-CA 3.43Å; L146-S150 VanDerWaalsContact O-CB 3.23Å; L146-S150 WeakPolarHBondContact O-CB 3.48Å; L146-S150 PolarHBondContact O-N 3.31Å; L146-A245 HydrophobicContact CD2-CB 4.2Å; L146-V248 HydrophobicContact CD1-CB 4.44Å; L146-V248 HydrophobicContact CD1-CG1 3.71Å; L146-V248 HydrophobicContact CD2-CB 4.1Å; L146-V248 HydrophobicContact CD2-CG1 3.95Å; L146-L249 HydrophobicContact CD2-CD1 4.45Å; L146-L249 HydrophobicContact CD2-CD2 4.06Å; L146-L249 HydrophobicContact CD2-CG 3.73Å
147	D	96.2	Very high	93.5	Very high	109 Å²	109	53.8 Å²	53.8	58%	0.583	28%	0.283	S	S	*	.	H	α-helix	trans	-63	-48.1	-179.2	-65.1	-30	0	0	0	110.8	N143 L144 L149 S150 G153	N143-D147 WeakPolarHBondContact O-CB 3.5Å; N143-D147 VanDerWaalsContact O-CG 3.23Å; N143-D147 PolarHBondContact O-N 3.01Å; L144-D147 PolarHBondContact O-N 2.97Å; D147-L149 PolarHBondContact O-N 2.94Å; D147-S150 PolarHBondContact O-N 2.97Å; D147-S150 PolarHBondContact O-OG 3.21Å; D147-G153 WeakPolarHBondContact O-CA 3.27Å
148	F	97.5	Very high	94	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-40.3	-179.2	-173.5	-92	0	0	0	113.1	C93 L96 I100 W130 L144 P154 M155	C93-F148 HydrophobicContact CB-CD2 4Å; C93-F148 HydrophobicContact CB-CE2 4.42Å; L96-F148 HydrophobicContact CB-CE2 4.01Å; L96-F148 HydrophobicContact CB-CZ 4Å; L96-F148 HydrophobicContact CD1-CZ 4.1Å; I100-F148 HydrophobicContact CD1-CE2 4.45Å; I100-F148 HydrophobicContact CD1-CZ 4.14Å; W130-F148 AromaticContact CH2-CD1 3.62Å; W130-F148 HydrophobicContact CH2-CD1 3.62Å; W130-F148 AromaticContact CH2-CE1 3.68Å; W130-F148 HydrophobicContact CH2-CE1 3.68Å; W130-F148 HydrophobicContact CH2-CG 4.4Å; W130-F148 HydrophobicContact CH2-CZ 4.49Å; W130-F148 AromaticContact CZ3-CD1 3.81Å; W130-F148 HydrophobicContact CZ3-CD1 3.81Å; W130-F148 HydrophobicContact CZ3-CE1 4.29Å; L144-F148 VanDerWaalsContact O-CB 3.25Å; L144-F148 WeakPolarHBondContact O-CB 3.28Å; L144-F148 PolarHBondContact O-N 3.28Å; F148-P154 HydrophobicContact CD2-CB 3.98Å; F148-P154 HydrophobicContact CD2-CG 4.06Å; F148-P154 HydrophobicContact CE2-CB 3.83Å; F148-P154 HydrophobicContact CE2-CG 4.35Å; F148-P154 HydrophobicContact CZ-CB 4.45Å; F148-M155 HydrophobicContact CD1-CB 4.26Å; F148-M155 HydrophobicContact CE1-CB 4.01Å; F148-M155 HydrophobicContact CE1-SD 4.38Å; F148-M155 WeakPolarHBondContact O-CB 3.23Å; F148-M155 PolarHBondContact O-N 3.1Å; F148-M155 VanDerWaalsContact O-N 3.14Å
149	L	97.8	Very high	94.6	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-95.6	-3	-177.1	-60.6	177.4	0	0	0	114.1	V119 W130 L132 V145 D147 M155 L249 Y253	V119-L149 HydrophobicContact CG1-CD1 3.59Å; V119-L149 HydrophobicContact CG1-CD2 3.71Å; V119-L149 HydrophobicContact CG1-CG 4.33Å; V119-L149 HydrophobicContact CG2-CD2 4.02Å; W130-L149 HydrophobicContact CE3-CD1 4.21Å; W130-L149 HydrophobicContact CZ3-CD1 4.24Å; W130-L149 HydrophobicContact CZ3-CD2 4.3Å; W130-L149 HydrophobicContact CZ3-CG 4.24Å; L132-L149 HydrophobicContact CD1-CD1 3.96Å; L132-L149 HydrophobicContact CD2-CD1 3.82Å; V145-L149 HydrophobicContact CG1-CD1 3.73Å; V145-L149 HydrophobicContact CG1-CG 4.45Å; V145-L149 VanDerWaalsContact O-CB 3.3Å; V145-L149 WeakPolarHBondContact O-CB 3.49Å; V145-L149 WeakPolarHBondContact O-CG 3.38Å; V145-L149 PolarHBondContact O-N 2.68Å; V145-L149 VanDerWaalsContact O-N 3.08Å; D147-L149 PolarHBondContact O-N 2.94Å; L149-M155 HydrophobicContact CD2-CB 3.88Å; L149-M155 HydrophobicContact CD2-CG 3.84Å; L149-L249 HydrophobicContact CB-CD1 4.02Å; L149-L249 HydrophobicContact CB-CD2 3.79Å; L149-L249 HydrophobicContact CD1-CD1 3.84Å; L149-Y253 WeakPolarHBondContact O-CE2 3.41Å; L149-Y253 PolarHBondContact O-OH 3.44Å
150	S	96	Very high	94.9	Very high	23 Å²	23	37 Å²	37	16%	0.161	20%	0.202	C	C	.	.	S	Bend	trans	-57.8	158.9	-179	65.7	0	0	0	0	112.8	L146 D147 S152 G153	L146-S150 WeakPolarHBondContact O-CA 3.43Å; L146-S150 VanDerWaalsContact O-CB 3.23Å; L146-S150 WeakPolarHBondContact O-CB 3.48Å; L146-S150 PolarHBondContact O-N 3.31Å; D147-S150 PolarHBondContact O-N 2.97Å; D147-S150 PolarHBondContact O-OG 3.21Å; S150-S152 PolarHBondContact O-N 2.76Å; S150-G153 PolarHBondContact O-N 2.92Å; S150-G153 WeakPolarHBondContact OG-CA 3.38Å; S150-G153 PolarHBondContact OG-N 3.41Å; S150-G153 VanDerWaalsContact OG-N 3.08Å
151	P	94.4	Very high	95.3	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.058	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17	176.8	-25.5	35	0	0	0	115.3	M156 Y253 Y256 F257	P151-M156 WeakPolarHBondContact O-CB 3.3Å; P151-M156 WeakPolarHBondContact O-CG 3.42Å; P151-Y253 HydrophobicContact CG-CD1 4.23Å; P151-Y253 HydrophobicContact CG-CD2 3.64Å; P151-Y253 HydrophobicContact CG-CE1 4.3Å; P151-Y253 HydrophobicContact CG-CE2 3.75Å; P151-Y253 HydrophobicContact CG-CG 3.9Å; P151-Y256 HydrophobicContact CB-CD1 3.42Å; P151-Y256 VanDerWaalsContact CB-CD1 3.42Å; P151-Y256 HydrophobicContact CB-CD2 3.81Å; P151-Y256 HydrophobicContact CB-CE1 3.79Å; P151-Y256 HydrophobicContact CB-CE2 4.15Å; P151-Y256 HydrophobicContact CB-CG 3.42Å; P151-Y256 VanDerWaalsContact CB-CG 3.42Å; P151-Y256 HydrophobicContact CG-CD1 4.28Å; P151-Y256 HydrophobicContact CG-CD2 4.48Å; P151-Y256 HydrophobicContact CG-CG 3.97Å; P151-F257 HydrophobicContact CB-CE2 4.28Å
152	S	91.6	Very high	95.5	Very high	95 Å²	95	27.5 Å²	27.5	66%	0.664	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	5.9	174.3	-53.8	0	0	0	0	113	S150	S150-S152 PolarHBondContact O-N 2.76Å
153	G	95.1	Very high	95.3	Very high	4 Å²	4	27.4 Å²	27.4	4%	0.041	15%	0.151	C	C	.	.	S	Bend	trans	-84.7	170	-172.8	0	0	0	0	0	114.2	D147 S150 M155 M156 K157	D147-G153 WeakPolarHBondContact O-CA 3.27Å; S150-G153 PolarHBondContact O-N 2.92Å; S150-G153 WeakPolarHBondContact OG-CA 3.38Å; S150-G153 PolarHBondContact OG-N 3.41Å; S150-G153 VanDerWaalsContact OG-N 3.08Å; G153-M155 PolarHBondContact O-N 3.43Å; G153-M155 VanDerWaalsContact O-N 3.13Å; G153-M156 PolarHBondContact O-N 2.96Å; G153-K157 PolarHBondContact O-N 2.93Å
154	P	96.5	Very high	95	Very high	25 Å²	25	25 Å²	25	16%	0.162	15%	0.147	C	C	.	.	H	α-helix	trans	-46.4	-41.2	176.5	-30	33.7	0	0	0	114.5	L97 I100 F148 M156 K157 L158	L97-P154 HydrophobicContact CB-CG 4.48Å; L97-P154 HydrophobicContact CD1-CG 3.83Å; L97-P154 HydrophobicContact CG-CG 4.04Å; I100-P154 HydrophobicContact CD1-CB 4.08Å; F148-P154 HydrophobicContact CD2-CB 3.98Å; F148-P154 HydrophobicContact CD2-CG 4.06Å; F148-P154 HydrophobicContact CE2-CB 3.83Å; F148-P154 HydrophobicContact CE2-CG 4.35Å; F148-P154 HydrophobicContact CZ-CB 4.45Å; P154-M156 PolarHBondContact O-N 2.96Å; P154-K157 WeakPolarHBondContact O-CB 3.42Å; P154-K157 PolarHBondContact O-N 3.32Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 PolarHBondContact O-N 2.89Å
155	M	96.9	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-36	-179.8	-168.9	62.6	-178.1	0	0	112.7	F112 L115 V116 F148 L149 G153 L158 V159 F219	F112-M155 HydrophobicContact CD2-CE 4.32Å; F112-M155 HydrophobicContact CE2-CE 4Å; L115-M155 HydrophobicContact CD2-CE 4.21Å; L115-M155 HydrophobicContact CD2-SD 3.66Å; L115-M155 HydrophobicContact CG-CE 4.05Å; L115-M155 HydrophobicContact CG-SD 3.99Å; V116-M155 HydrophobicContact CG2-CE 3.53Å; F148-M155 HydrophobicContact CD1-CB 4.26Å; F148-M155 HydrophobicContact CE1-CB 4.01Å; F148-M155 HydrophobicContact CE1-SD 4.38Å; F148-M155 WeakPolarHBondContact O-CB 3.23Å; F148-M155 PolarHBondContact O-N 3.1Å; F148-M155 VanDerWaalsContact O-N 3.14Å; L149-M155 HydrophobicContact CD2-CB 3.88Å; L149-M155 HydrophobicContact CD2-CG 3.84Å; G153-M155 PolarHBondContact O-N 3.43Å; G153-M155 VanDerWaalsContact O-N 3.13Å; M155-L158 WeakPolarHBondContact O-CB 3.21Å; M155-L158 HydrophobicContact SD-CD2 4.09Å; M155-V159 WeakPolarHBondContact O-CG2 3.32Å; M155-V159 PolarHBondContact O-N 3.41Å; M155-V159 VanDerWaalsContact O-N 3.1Å; M155-F219 HydrophobicContact CE-CD2 4.05Å; M155-F219 HydrophobicContact CE-CE2 3.99Å; M155-F219 HydrophobicContact CG-CD2 4.3Å; M155-F219 HydrophobicContact CG-CE2 3.56Å; M155-F219 HydrophobicContact CG-CZ 4.31Å
156	M	96.3	Very high	94.2	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-78.8	-32	175.9	-168.2	53.3	52.3	0	0	112	P151 G153 P154 L158 V159 Y160 F216 F219 M220 Y253	P151-M156 WeakPolarHBondContact O-CB 3.3Å; P151-M156 WeakPolarHBondContact O-CG 3.42Å; G153-M156 PolarHBondContact O-N 2.96Å; P154-M156 PolarHBondContact O-N 2.96Å; M156-L158 VanDerWaalsContact C-N 3.31Å; M156-L158 PolarHBondContact O-N 3.16Å; M156-V159 HydrophobicContact CE-CB 4.49Å; M156-V159 HydrophobicContact CE-CG2 4.38Å; M156-V159 WeakPolarHBondContact O-CB 3.21Å; M156-V159 PolarHBondContact O-N 2.98Å; M156-V159 HydrophobicContact SD-CB 3.81Å; M156-V159 HydrophobicContact SD-CG1 3.74Å; M156-V159 HydrophobicContact SD-CG2 4.33Å; M156-Y160 HydrophobicContact CG-CD2 4.05Å; M156-Y160 HydrophobicContact CG-CE2 3.52Å; M156-Y160 VanDerWaalsContact O-CD2 3.32Å; M156-Y160 WeakPolarHBondContact O-CD2 3.26Å; M156-Y160 PolarHBondContact O-N 3.09Å; M156-Y160 HydrophobicContact SD-CD2 4.48Å; M156-Y160 HydrophobicContact SD-CE1 4.13Å; M156-Y160 HydrophobicContact SD-CE2 4.02Å; M156-F216 HydrophobicContact SD-CD2 4.09Å; M156-F216 HydrophobicContact SD-CE2 4.24Å; M156-F219 HydrophobicContact CE-CD1 3.58Å; M156-F219 HydrophobicContact CE-CE1 3.53Å; M156-F219 HydrophobicContact CE-CG 4.26Å; M156-F219 HydrophobicContact CE-CZ 4.16Å; M156-M220 HydrophobicContact CE-CE 4.32Å; M156-Y253 HydrophobicContact CE-CE1 3.72Å; M156-Y253 WeakPolarHBondContact CE-OH 3.5Å
157	K	94.8	Very high	94.1	Very high	78 Å²	78	38.2 Å²	38.2	34%	0.339	21%	0.205	S	C	.	.	H	α-helix	trans	-58	-43.7	168.4	-173.3	-180	-178.3	-179.5	0	111.2	D101 G153 P154 Y160 K161 F269	D101-K157 WeakPolarHBondContact OD1-CD 3.34Å; D101-K157 WeakPolarHBondContact OD1-CE 3.14Å; D101-K157 IonicContact OD1-NZ 2.83Å; D101-K157 PolarHBondContact OD1-NZ 3.42Å; D101-K157 IonicContact OD2-NZ 3.95Å; D101-K157 PolarHBondContact OD2-NZ 3.22Å; G153-K157 PolarHBondContact O-N 2.93Å; P154-K157 WeakPolarHBondContact O-CB 3.42Å; P154-K157 PolarHBondContact O-N 3.32Å; K157-Y160 PolarHBondContact O-N 3.29Å; K157-K161 VanDerWaalsContact O-CB 3.28Å; K157-K161 WeakPolarHBondContact O-CB 3.34Å; K157-K161 PolarHBondContact O-N 3.24Å; K157-F269 HydrophobicContact CG-CE2 4.14Å; K157-F269 HydrophobicContact CG-CZ 3.94Å; K157-F269 WeakPolarHBondContact O-CE2 3.44Å
158	L	96.8	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-47.4	172.7	174.5	61.3	0	0	0	112.1	I100 L108 F112 L115 P154 M155 M156 Y160 K161 L162	I100-L158 HydrophobicContact CD1-CB 4.11Å; I100-L158 HydrophobicContact CD1-CD2 4.06Å; I100-L158 HydrophobicContact CG1-CB 4.08Å; I100-L158 HydrophobicContact CG1-CD1 4.32Å; I100-L158 HydrophobicContact CG1-CD2 4.05Å; I100-L158 HydrophobicContact CG1-CG 4.38Å; I100-L158 HydrophobicContact CG2-CB 3.92Å; L108-L158 HydrophobicContact CB-CD1 3.78Å; L108-L158 HydrophobicContact CD1-CD1 3.96Å; L108-L158 HydrophobicContact CD2-CD1 4.17Å; L108-L158 HydrophobicContact CG-CD1 4.19Å; F112-L158 HydrophobicContact CD2-CD2 3.82Å; F112-L158 HydrophobicContact CD2-CG 3.98Å; L115-L158 HydrophobicContact CD2-CD2 3.68Å; P154-L158 WeakPolarHBondContact O-CB 3.42Å; P154-L158 PolarHBondContact O-N 2.89Å; M155-L158 WeakPolarHBondContact O-CB 3.21Å; M155-L158 HydrophobicContact SD-CD2 4.09Å; M156-L158 VanDerWaalsContact C-N 3.31Å; M156-L158 PolarHBondContact O-N 3.16Å; L158-Y160 PolarHBondContact O-N 2.68Å; L158-K161 PolarHBondContact O-N 2.87Å; L158-L162 HydrophobicContact CD1-CD1 3.64Å; L158-L162 HydrophobicContact CD1-CG 4.06Å; L158-L162 HydrophobicContact CG-CD1 3.91Å; L158-L162 WeakPolarHBondContact O-CB 3.34Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.41Å; L158-L162 PolarHBondContact O-N 2.83Å
159	V	96.4	Very high	93.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-49	176.3	164.7	0	0	0	0	111.6	F112 M155 M156 L162 Q163 F216 F219	F112-V159 HydrophobicContact CE2-CG2 3.69Å; F112-V159 HydrophobicContact CZ-CG2 3.91Å; M155-V159 WeakPolarHBondContact O-CG2 3.32Å; M155-V159 PolarHBondContact O-N 3.41Å; M155-V159 VanDerWaalsContact O-N 3.1Å; M156-V159 HydrophobicContact CE-CB 4.49Å; M156-V159 HydrophobicContact CE-CG2 4.38Å; M156-V159 WeakPolarHBondContact O-CB 3.21Å; M156-V159 PolarHBondContact O-N 2.98Å; M156-V159 HydrophobicContact SD-CB 3.81Å; M156-V159 HydrophobicContact SD-CG1 3.74Å; M156-V159 HydrophobicContact SD-CG2 4.33Å; V159-L162 PolarHBondContact O-N 2.63Å; V159-Q163 WeakPolarHBondContact O-CB 3.18Å; V159-Q163 PolarHBondContact O-N 3.09Å; V159-F216 HydrophobicContact CG1-CB 3.83Å; V159-F216 HydrophobicContact CG1-CD2 4.07Å; V159-F216 HydrophobicContact CG1-CG 4.43Å; V159-F219 HydrophobicContact CG2-CB 3.81Å; V159-F219 HydrophobicContact CG2-CD2 3.9Å; V159-F219 HydrophobicContact CG2-CG 3.89Å
160	Y	93.4	Very high	93.4	Very high	6 Å²	6	44.3 Å²	44.3	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-71.2	-38.2	179.8	-62.6	-45.7	0	0	0	113.2	M156 K157 L158 L162 Q163 A164 F216 P268	M156-Y160 HydrophobicContact CG-CD2 4.05Å; M156-Y160 HydrophobicContact CG-CE2 3.52Å; M156-Y160 VanDerWaalsContact O-CD2 3.32Å; M156-Y160 WeakPolarHBondContact O-CD2 3.26Å; M156-Y160 PolarHBondContact O-N 3.09Å; M156-Y160 HydrophobicContact SD-CD2 4.48Å; M156-Y160 HydrophobicContact SD-CE1 4.13Å; M156-Y160 HydrophobicContact SD-CE2 4.02Å; K157-Y160 PolarHBondContact O-N 3.29Å; L158-Y160 PolarHBondContact O-N 2.68Å; Y160-L162 PolarHBondContact O-N 2.9Å; Y160-Q163 PolarHBondContact O-N 3.17Å; Y160-A164 PolarHBondContact O-N 3.24Å; Y160-F216 AromaticContact CE1-CD2 3.77Å; Y160-F216 HydrophobicContact CE1-CD2 3.77Å; Y160-F216 HydrophobicContact CE1-CE2 4.04Å; Y160-P268 VanDerWaalsContact CD2-CD 3.5Å; Y160-P268 HydrophobicContact CD2-CG 3.48Å; Y160-P268 VanDerWaalsContact CD2-CG 3.48Å; Y160-P268 HydrophobicContact CE2-CG 3.88Å; Y160-P268 HydrophobicContact CG-CG 4.42Å
161	K	94.1	Very high	93.2	Very high	40 Å²	40	43.3 Å²	43.3	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-59.1	-33.7	174.3	-173.7	170.3	176.6	-178.8	0	111.9	I100 D101 Y103 L108 K157 L158 F269	I100-K161 PolarHBondContact O-NZ 2.6Å; D101-K161 PolarHBondContact O-NZ 2.8Å; Y103-K161 VanDerWaalsContact O-CE 3.31Å; Y103-K161 WeakPolarHBondContact O-CE 3.22Å; Y103-K161 PolarHBondContact O-NZ 2.9Å; L108-K161 HydrophobicContact CD1-CD 3.81Å; K157-K161 VanDerWaalsContact O-CB 3.28Å; K157-K161 WeakPolarHBondContact O-CB 3.34Å; K157-K161 PolarHBondContact O-N 3.24Å; L158-K161 PolarHBondContact O-N 2.87Å; K161-F269 HydrophobicContact CB-CE2 4.24Å; K161-F269 HydrophobicContact CB-CZ 3.9Å; K161-F269 HydrophobicContact CG-CZ 4.48Å
162	L	95.2	Very high	93	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-81.4	-30.5	173.4	-66.9	167.6	0	0	0	113.1	A105 L108 H109 F112 L158 V159 Y160 E165 Y167 P215	A105-L162 HydrophobicContact CB-CD2 4.47Å; A105-L162 WeakPolarHBondContact O-CD2 3.3Å; L108-L162 HydrophobicContact CB-CD2 4.1Å; H109-L162 HydrophobicContact CB-CD2 3.88Å; F112-L162 HydrophobicContact CB-CD1 3.66Å; F112-L162 HydrophobicContact CD1-CD1 4.23Å; F112-L162 HydrophobicContact CD2-CD1 3.58Å; F112-L162 HydrophobicContact CE2-CD1 4.22Å; F112-L162 HydrophobicContact CG-CD1 3.56Å; L158-L162 HydrophobicContact CD1-CD1 3.64Å; L158-L162 HydrophobicContact CD1-CG 4.06Å; L158-L162 HydrophobicContact CG-CD1 3.91Å; L158-L162 WeakPolarHBondContact O-CB 3.34Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.41Å; L158-L162 PolarHBondContact O-N 2.83Å; V159-L162 PolarHBondContact O-N 2.63Å; Y160-L162 PolarHBondContact O-N 2.9Å; L162-E165 PolarHBondContact O-N 3.04Å; L162-Y167 HydrophobicContact CB-CD2 4.46Å; L162-Y167 HydrophobicContact CD2-CD2 3.9Å; L162-Y167 HydrophobicContact CD2-CE2 4.22Å; L162-P215 HydrophobicContact CB-CB 4.02Å; L162-P215 HydrophobicContact CB-CG 3.94Å
163	Q	90.1	Very high	92.8	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-68.3	-35.6	178.7	-169.9	-174.9	-7	0	0	112	V159 Y160 E165 E166 P215 V276	V159-Q163 WeakPolarHBondContact O-CB 3.18Å; V159-Q163 PolarHBondContact O-N 3.09Å; Y160-Q163 PolarHBondContact O-N 3.17Å; Q163-E165 PolarHBondContact O-N 2.89Å; Q163-E166 PolarHBondContact O-N 3.34Å; Q163-E166 VanDerWaalsContact O-N 3.11Å; Q163-P215 HydrophobicContact CB-CG 4.32Å; Q163-V276 HydrophobicContact CG-CG1 4.16Å
164	A	87.6	Confident	92.5	Very high	58 Å²	58	44.5 Å²	44.5	48%	0.479	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.2	178.3	0	0	0	0	0	114	Y160	Y160-A164 PolarHBondContact O-N 3.24Å
165	E	88.8	Confident	92.1	Very high	120 Å²	120	46.6 Å²	46.6	56%	0.561	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	14.1	179.6	-59.8	-75.1	-176.9	0	0	112.8	A105 L162 Q163 Y167	A105-E165 HydrophobicContact CB-CG 3.74Å; L162-E165 PolarHBondContact O-N 3.04Å; Q163-E165 PolarHBondContact O-N 2.89Å; E165-Y167 HydrophobicContact CB-CD2 3.66Å; E165-Y167 HydrophobicContact CB-CE2 3.51Å; E165-Y167 HydrophobicContact CG-CE2 4.11Å; E165-Y167 PolarHBondContact O-N 2.89Å
166	E	87.7	Confident	91.7	Very high	155 Å²	155	47 Å²	47	72%	0.724	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	20.5	-179.5	-62.7	-164.7	-168.9	0	0	116.5	Q163	Q163-E166 PolarHBondContact O-N 3.34Å; Q163-E166 VanDerWaalsContact O-N 3.11Å
167	Y	92.5	Very high	91.3	Very high	56 Å²	56	47.3 Å²	47.3	22%	0.22	23%	0.23	C	C	.	.			trans	-56.7	150.4	178.2	-75.4	-60.8	0	0	0	113.1	A105 K106 H109 L162 E165 P215	A105-Y167 HydrophobicContact CB-CE2 4.3Å; K106-Y167 WeakPolarHBondContact CA-OH 3.48Å; H109-Y167 HydrophobicContact CB-CD1 4.25Å; H109-Y167 HydrophobicContact CB-CD2 4.11Å; H109-Y167 HydrophobicContact CB-CE1 4.1Å; H109-Y167 HydrophobicContact CB-CE2 3.93Å; H109-Y167 HydrophobicContact CB-CG 4.28Å; H109-Y167 AromaticContact CD2-CD1 3.68Å; H109-Y167 AromaticContact CD2-CE1 3.57Å; H109-Y167 AromaticContact CE1-CD1 3.54Å; H109-Y167 AromaticContact CG-CD1 3.54Å; H109-Y167 AromaticContact CG-CE1 3.65Å; H109-Y167 AromaticContact CG-CG 3.85Å; H109-Y167 AromaticContact ND1-CD1 3.44Å; H109-Y167 WeakPolarHBondContact ND1-CD1 3.38Å; H109-Y167 AromaticContact ND1-CG 3.56Å; H109-Y167 AromaticContact NE2-CD1 3.69Å; H109-Y167 AromaticContact NE2-CE1 3.96Å; L162-Y167 HydrophobicContact CB-CD2 4.46Å; L162-Y167 HydrophobicContact CD2-CD2 3.9Å; L162-Y167 HydrophobicContact CD2-CE2 4.22Å; E165-Y167 HydrophobicContact CB-CD2 3.66Å; E165-Y167 HydrophobicContact CB-CE2 3.51Å; E165-Y167 HydrophobicContact CG-CE2 4.11Å; E165-Y167 PolarHBondContact O-N 2.89Å; Y167-P215 VanDerWaalsContact O-CD 3.27Å; Y167-P215 WeakPolarHBondContact O-CD 3.14Å
168	K	92.3	Very high	90.8	Very high	135 Å²	135	44.1 Å²	44.1	59%	0.587	22%	0.218	S	C	*	.			trans	-131.2	152.6	178.7	-59.8	-173.7	-175.4	-177.8	0	111.8	A212 L213	K168-A212 HydrophobicContact CB-CB 4.5Å; K168-A212 HydrophobicContact CD-CB 4.22Å; K168-L213 CarbonylContact C-O 3.57Å; K168-L213 VanDerWaalsContact CA-O 3.27Å; K168-L213 WeakPolarHBondContact CA-O 3.39Å
169	Y	93.4	Very high	90.2	Very high	11 Å²	11	44.8 Å²	44.8	4%	0.043	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.9	179.7	-57.6	-71.1	0	0	0	110.3	H109 F112 P113 L213 P215 F218	H109-Y169 AromaticContact CE1-CE1 3.43Å; H109-Y169 VanDerWaalsContact CE1-CE1 3.43Å; H109-Y169 WeakPolarHBondContact CE1-CE1 3.46Å; H109-Y169 AromaticContact CE1-CZ 3.88Å; H109-Y169 AromaticContact ND1-CE1 3.27Å; H109-Y169 VanDerWaalsContact ND1-CE1 3.27Å; H109-Y169 WeakPolarHBondContact ND1-CE1 3.2Å; H109-Y169 AromaticContact ND1-CZ 3.34Å; H109-Y169 VanDerWaalsContact ND1-CZ 3.34Å; H109-Y169 PolarHBondContact ND1-OH 2.9Å; F112-Y169 HydrophobicContact CD1-CD1 4.36Å; F112-Y169 AromaticContact CD1-CD2 3.92Å; F112-Y169 HydrophobicContact CD1-CD2 3.92Å; F112-Y169 AromaticContact CD1-CE1 3.84Å; F112-Y169 HydrophobicContact CD1-CE1 3.84Å; F112-Y169 AromaticContact CD1-CE2 3.33Å; F112-Y169 HydrophobicContact CD1-CE2 3.33Å; F112-Y169 HydrophobicContact CD1-CG 4.39Å; F112-Y169 AromaticContact CD1-CZ 3.3Å; F112-Y169 AromaticContact CE1-CD2 3.72Å; F112-Y169 HydrophobicContact CE1-CD2 3.72Å; F112-Y169 AromaticContact CE1-CE2 3.39Å; F112-Y169 HydrophobicContact CE1-CE2 3.39Å; F112-Y169 HydrophobicContact CE1-CG 4.45Å; F112-Y169 AromaticContact CE1-CZ 3.9Å; F112-Y169 HydrophobicContact CG-CE2 4.39Å; P113-Y169 HydrophobicContact CG-CD1 3.66Å; P113-Y169 HydrophobicContact CG-CE1 3.7Å; Y169-L213 PolarHBondContact N-O 2.97Å; Y169-L213 PolarHBondContact O-N 3.28Å; Y169-P215 HydrophobicContact CD2-CB 4.44Å; Y169-P215 HydrophobicContact CD2-CG 4.47Å; Y169-P215 HydrophobicContact CE2-CB 3.86Å; Y169-P215 HydrophobicContact CE2-CG 3.84Å; Y169-F218 VanDerWaalsContact CB-CD2 3.44Å; Y169-F218 HydrophobicContact CD2-CB 4.12Å; Y169-F218 HydrophobicContact CD2-CD1 4.37Å; Y169-F218 HydrophobicContact CD2-CG 4.19Å; Y169-F218 HydrophobicContact CG-CD1 4.4Å; Y169-F218 HydrophobicContact CG-CD2 4.38Å; Y169-F218 HydrophobicContact CG-CG 4.21Å
170	E	91.4	Very high	89.6	Confident	102 Å²	102	44.8 Å²	44.8	48%	0.477	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.8	-173.3	-57.6	-165	-176.8	0	0	111.7	Q200 N210 V211	E170-Q200 VanDerWaalsContact CD-OE1 3.27Å; E170-Q200 PolarHBondContact OE1-NE2 2.75Å; E170-Q200 PolarHBondContact OE1-OE1 3.4Å; E170-N210 HydrophobicContact CB-CB 4.23Å; E170-N210 PolarHBondContact OE2-ND2 3.01Å; E170-V211 WeakPolarHBondContact CA-O 3.38Å
171	V	91.6	Very high	89.2	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.3	171.5	176.2	0	0	0	0	108.8	L123 V173 V211 L213 F218 F221	L123-V171 HydrophobicContact CD1-CG1 4.41Å; V171-V173 PolarHBondContact O-N 2.82Å; V171-V211 PolarHBondContact N-O 3.09Å; V171-V211 PolarHBondContact O-N 2.68Å; V171-L213 HydrophobicContact CB-CD1 4.46Å; V171-L213 HydrophobicContact CG2-CD1 3.71Å; V171-L213 HydrophobicContact CG2-CG 4.35Å; V171-F218 HydrophobicContact CG2-CD2 3.74Å; V171-F218 HydrophobicContact CG2-CE2 3.83Å; V171-F221 HydrophobicContact CG1-CD1 4.11Å; V171-F221 HydrophobicContact CG1-CE1 3.53Å; V171-F221 HydrophobicContact CG1-CE2 4.17Å; V171-F221 HydrophobicContact CG1-CZ 3.57Å; V171-F221 HydrophobicContact CG2-CD1 4.01Å; V171-F221 HydrophobicContact CG2-CE1 4.22Å
172	P	90.4	Very high	88.6	Confident	39 Å²	39	46.3 Å²	46.3	25%	0.253	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.4	176	-25	34.8	0	0	0	112.2	N174 Y175 N210	P172-N174 PolarHBondContact O-N 2.95Å; P172-Y175 HydrophobicContact CB-CD2 3.94Å; P172-Y175 HydrophobicContact CB-CE2 4.08Å; P172-Y175 HydrophobicContact CG-CD2 4.17Å; P172-Y175 HydrophobicContact CG-CE2 4.06Å; P172-Y175 PolarHBondContact O-N 3.38Å; P172-N210 WeakPolarHBondContact CA-OD1 3.43Å
173	V	87.9	Confident	87.9	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.024	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-55	-21.2	179.5	166	0	0	0	0	112.6	V171 Y175 L176 K181 I184 L199 L209 V211	V171-V173 PolarHBondContact O-N 2.82Å; V173-Y175 PolarHBondContact O-N 3.31Å; V173-L176 HydrophobicContact CB-CD1 4.3Å; V173-L176 HydrophobicContact CG1-CD1 4.3Å; V173-L176 HydrophobicContact CG2-CD1 4.08Å; V173-L176 PolarHBondContact O-N 2.84Å; V173-K181 HydrophobicContact CG1-CG 4.26Å; V173-I184 HydrophobicContact CG1-CB 4.21Å; V173-I184 HydrophobicContact CG1-CD1 4.21Å; V173-I184 HydrophobicContact CG1-CG2 3.82Å; V173-I184 HydrophobicContact CG2-CD1 4.34Å; V173-I184 HydrophobicContact CG2-CG2 4.11Å; V173-L199 HydrophobicContact CG2-CD2 4.03Å; V173-L209 HydrophobicContact CB-CB 4.07Å; V173-L209 WeakPolarHBondContact CB-O 3.3Å; V173-L209 HydrophobicContact CG2-CB 3.75Å; V173-L209 WeakPolarHBondContact CG2-O 3.34Å; V173-L209 PolarHBondContact N-O 2.96Å; V173-V211 HydrophobicContact CG2-CG2 3.93Å
174	N	87.6	Confident	87.5	Confident	89 Å²	89	47.7 Å²	47.7	48%	0.476	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-59	-26.8	175.4	-86.6	-40.2	0	0	0	115.1	P172 K181	P172-N174 PolarHBondContact O-N 2.95Å; N174-K181 PolarHBondContact O-NZ 3.26Å; N174-K181 VanDerWaalsContact O-NZ 3.15Å; N174-K181 WeakPolarHBondContact OD1-CE 3.49Å; N174-K181 PolarHBondContact OD1-NZ 2.98Å
175	Y	89.1	Confident	87.1	Confident	69 Å²	69	50.8 Å²	50.8	27%	0.271	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-95.8	1.1	-179.3	-57.6	-67.6	0	0	0	113.9	L123 P172 V173 Y225	L123-Y175 HydrophobicContact CB-CD1 3.74Å; L123-Y175 HydrophobicContact CB-CD2 3.87Å; L123-Y175 HydrophobicContact CB-CE1 3.7Å; L123-Y175 HydrophobicContact CB-CE2 3.81Å; L123-Y175 HydrophobicContact CB-CG 3.82Å; L123-Y175 HydrophobicContact CD1-CD2 3.58Å; L123-Y175 HydrophobicContact CD1-CE2 4.01Å; L123-Y175 HydrophobicContact CD1-CG 3.97Å; L123-Y175 HydrophobicContact CG-CD2 4.38Å; L123-Y175 HydrophobicContact CG-CG 4.49Å; L123-Y175 VanDerWaalsContact O-CE1 3.26Å; L123-Y175 WeakPolarHBondContact O-CE1 3.36Å; P172-Y175 HydrophobicContact CB-CD2 3.94Å; P172-Y175 HydrophobicContact CB-CE2 4.08Å; P172-Y175 HydrophobicContact CG-CD2 4.17Å; P172-Y175 HydrophobicContact CG-CE2 4.06Å; P172-Y175 PolarHBondContact O-N 3.38Å; V173-Y175 PolarHBondContact O-N 3.31Å; Y175-Y225 WeakPolarHBondContact O-CE2 3.24Å
176	L	88.9	Confident	86.7	Confident	10 Å²	10	52.1 Å²	52.1	5%	0.052	26%	0.257	C	S	.	.	S	Bend	trans	-77.4	156.3	173.6	-58.4	179.5	0	0	0	111.2	V173 V180 I184 F195 V211 F221	V173-L176 HydrophobicContact CB-CD1 4.3Å; V173-L176 HydrophobicContact CG1-CD1 4.3Å; V173-L176 HydrophobicContact CG2-CD1 4.08Å; V173-L176 PolarHBondContact O-N 2.84Å; L176-V180 HydrophobicContact CB-CB 4.46Å; L176-V180 HydrophobicContact CB-CG1 4.39Å; L176-V180 HydrophobicContact CD1-CG1 4.23Å; L176-I184 HydrophobicContact CD1-CD1 3.56Å; L176-F195 HydrophobicContact CD2-CE1 3.91Å; L176-F195 HydrophobicContact CD2-CZ 3.94Å; L176-V211 HydrophobicContact CD1-CG2 3.93Å; L176-F221 HydrophobicContact CD2-CE2 3.9Å
177	P	87.6	Confident	85.9	Confident	7 Å²	7	46.8 Å²	46.8	5%	0.045	24%	0.243	C	C	.	.			trans	-59.2	147.9	179.2	-24.6	36	0	0	0	112.7	V180 K181 E330 I331 H334	P177-V180 HydrophobicContact CB-CG2 4.21Å; P177-V180 HydrophobicContact CG-CG2 4.42Å; P177-V180 WeakPolarHBondContact O-CB 3.29Å; P177-V180 PolarHBondContact O-N 2.94Å; P177-K181 PolarHBondContact O-N 3.29Å; P177-E330 HydrophobicContact CG-CG 4.26Å; P177-E330 VanDerWaalsContact CG-O 3.28Å; P177-E330 WeakPolarHBondContact CG-O 3.2Å; P177-I331 HydrophobicContact CG-CD1 3.92Å; P177-H334 VanDerWaalsContact CB-O 3.25Å; P177-H334 WeakPolarHBondContact CB-O 3.26Å
178	G	83.4	Confident	85.2	Confident	10 Å²	10	47.6 Å²	47.6	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-47	-51.8	-170.7	0	0	0	0	0	115.7	K181 A182	G178-K181 PolarHBondContact O-N 2.94Å; G178-A182 WeakPolarHBondContact O-CB 3.44Å; G178-A182 PolarHBondContact O-N 2.89Å
179	P	83.9	Confident	84.2	Confident	14 Å²	14	44.9 Å²	44.9	9%	0.091	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176.1	-23.9	35.1	0	0	0	113.2	K181 A182 C183 H334	P179-K181 PolarHBondContact O-N 3.22Å; P179-A182 PolarHBondContact O-N 2.9Å; P179-C183 PolarHBondContact O-N 3.03Å; P179-C183 PolarHBondContact O-SG 3.34Å; P179-H334 WeakPolarHBondContact CD-O 3.29Å; P179-H334 WeakPolarHBondContact CG-O 3.27Å
180	V	84.3	Confident	83.3	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-46.4	178.6	-172.6	0	0	0	0	110.7	L176 P177 C183 I184 P190 F195 E330	L176-V180 HydrophobicContact CB-CB 4.46Å; L176-V180 HydrophobicContact CB-CG1 4.39Å; L176-V180 HydrophobicContact CD1-CG1 4.23Å; P177-V180 HydrophobicContact CB-CG2 4.21Å; P177-V180 HydrophobicContact CG-CG2 4.42Å; P177-V180 WeakPolarHBondContact O-CB 3.29Å; P177-V180 PolarHBondContact O-N 2.94Å; V180-C183 PolarHBondContact O-N 3.06Å; V180-I184 HydrophobicContact CG1-CD1 3.85Å; V180-I184 WeakPolarHBondContact O-CD1 3.43Å; V180-I184 VanDerWaalsContact O-CG1 3.28Å; V180-I184 WeakPolarHBondContact O-CG1 3.23Å; V180-I184 PolarHBondContact O-N 3.06Å; V180-P190 HydrophobicContact CG1-CB 4.15Å; V180-P190 HydrophobicContact CG1-CG 3.99Å; V180-F195 HydrophobicContact CG1-CD2 3.55Å; V180-F195 HydrophobicContact CG1-CE2 3.61Å; V180-F195 HydrophobicContact CG2-CE2 4.34Å; V180-E330 HydrophobicContact CG2-CG 4.09Å; V180-E330 WeakPolarHBondContact CG2-OE1 3.15Å
181	K	84.4	Confident	82.1	Confident	43 Å²	43	47 Å²	47	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-43.8	177.2	179.7	175.6	-178.1	171.6	0	111.5	V173 N174 P177 G178 P179 I184 Q185	V173-K181 HydrophobicContact CG1-CG 4.26Å; N174-K181 PolarHBondContact O-NZ 3.26Å; N174-K181 VanDerWaalsContact O-NZ 3.15Å; N174-K181 WeakPolarHBondContact OD1-CE 3.49Å; N174-K181 PolarHBondContact OD1-NZ 2.98Å; P177-K181 PolarHBondContact O-N 3.29Å; G178-K181 PolarHBondContact O-N 2.94Å; P179-K181 PolarHBondContact O-N 3.22Å; K181-I184 PolarHBondContact O-N 3.21Å; K181-Q185 WeakPolarHBondContact O-CB 3.43Å; K181-Q185 VanDerWaalsContact O-CG 3.24Å; K181-Q185 WeakPolarHBondContact O-CG 3.49Å; K181-Q185 PolarHBondContact O-N 2.87Å
182	A	82.6	Confident	81.2	Confident	35 Å²	35	47.2 Å²	47.2	29%	0.289	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-51.7	175.8	0	0	0	0	0	111.4	G178 P179 I184 Q185 E186	G178-A182 WeakPolarHBondContact O-CB 3.44Å; G178-A182 PolarHBondContact O-N 2.89Å; P179-A182 PolarHBondContact O-N 2.9Å; A182-I184 VanDerWaalsContact C-N 3.34Å; A182-I184 PolarHBondContact O-N 3.14Å; A182-Q185 CarbonylContact O-C 3.42Å; A182-Q185 PolarHBondContact O-N 3.29Å; A182-E186 WeakPolarHBondContact O-CB 3.11Å; A182-E186 WeakPolarHBondContact O-CG 3.28Å; A182-E186 PolarHBondContact O-N 3.46Å
183	C	81.1	Confident	80.3	Confident	30 Å²	30	47 Å²	47	20%	0.203	26%	0.261	C	S	.	.	H	α-helix	trans	-53.9	-48.7	176.9	-65.5	0	0	0	0	112	P179 V180 Q185 E186 G187 V188 P190	P179-C183 PolarHBondContact O-N 3.03Å; P179-C183 PolarHBondContact O-SG 3.34Å; V180-C183 PolarHBondContact O-N 3.06Å; C183-Q185 VanDerWaalsContact C-N 3.32Å; C183-Q185 PolarHBondContact O-N 2.84Å; C183-E186 PolarHBondContact O-N 3.47Å; C183-G187 PolarHBondContact O-N 3.38Å; C183-G187 VanDerWaalsContact O-N 3.11Å; C183-V188 CarbonylContact C-O 3.2Å; C183-V188 HydrophobicContact CB-CB 4.32Å; C183-V188 WeakPolarHBondContact CB-O 3.38Å; C183-V188 PolarHBondContact O-N 3.38Å; C183-P190 HydrophobicContact CB-CB 4.47Å; C183-P190 HydrophobicContact CB-CG 4.05Å
184	I	81.4	Confident	79.8	Confident	12 Å²	12	47 Å²	47	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-40.1	178.1	-67.3	163.9	0	0	0	111.8	V173 L176 V180 K181 A182 P190 L199 L209	V173-I184 HydrophobicContact CG1-CB 4.21Å; V173-I184 HydrophobicContact CG1-CD1 4.21Å; V173-I184 HydrophobicContact CG1-CG2 3.82Å; V173-I184 HydrophobicContact CG2-CD1 4.34Å; V173-I184 HydrophobicContact CG2-CG2 4.11Å; L176-I184 HydrophobicContact CD1-CD1 3.56Å; V180-I184 HydrophobicContact CG1-CD1 3.85Å; V180-I184 WeakPolarHBondContact O-CD1 3.43Å; V180-I184 VanDerWaalsContact O-CG1 3.28Å; V180-I184 WeakPolarHBondContact O-CG1 3.23Å; V180-I184 PolarHBondContact O-N 3.06Å; K181-I184 PolarHBondContact O-N 3.21Å; A182-I184 VanDerWaalsContact C-N 3.34Å; A182-I184 PolarHBondContact O-N 3.14Å; I184-P190 HydrophobicContact CD1-CG 4.32Å; I184-P190 HydrophobicContact CG1-CG 3.84Å; I184-L199 HydrophobicContact CD1-CD2 4.11Å; I184-L199 HydrophobicContact CG1-CD1 4.37Å; I184-L199 HydrophobicContact CG1-CD2 4.21Å; I184-L199 HydrophobicContact CG2-CD1 4.16Å; I184-L199 HydrophobicContact CG2-CD2 3.59Å; I184-L209 HydrophobicContact CG2-CD1 3.93Å
185	Q	79.7	Confident	79.2	Confident	123 Å²	123	43 Å²	43	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-73.3	-28.2	178.8	-73.2	179.7	-37.8	0	0	113.3	K181 A182 C183	K181-Q185 WeakPolarHBondContact O-CB 3.43Å; K181-Q185 VanDerWaalsContact O-CG 3.24Å; K181-Q185 WeakPolarHBondContact O-CG 3.49Å; K181-Q185 PolarHBondContact O-N 2.87Å; A182-Q185 CarbonylContact O-C 3.42Å; A182-Q185 PolarHBondContact O-N 3.29Å; C183-Q185 VanDerWaalsContact C-N 3.32Å; C183-Q185 PolarHBondContact O-N 2.84Å
186	E	78.5	Confident	78.5	Confident	148 Å²	148	42.3 Å²	42.3	69%	0.692	24%	0.238	S	C	*	.	H	α-helix	trans	-86	-7.2	177.8	-70.6	174.3	-179.7	0	0	113.3	A182 C183 V188	A182-E186 WeakPolarHBondContact O-CB 3.11Å; A182-E186 WeakPolarHBondContact O-CG 3.28Å; A182-E186 PolarHBondContact O-N 3.46Å; C183-E186 PolarHBondContact O-N 3.47Å; E186-V188 HydrophobicContact CB-CG2 4.21Å
187	G	72.3	Confident	77.7	Confident	42 Å²	42	46.9 Å²	46.9	43%	0.433	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	30	-174.3	0	0	0	0	0	113.2	C183 F288	C183-G187 PolarHBondContact O-N 3.38Å; C183-G187 VanDerWaalsContact O-N 3.11Å; G187-F288 WeakPolarHBondContact O-CD1 3.49Å; G187-F288 WeakPolarHBondContact O-CE1 3.34Å
188	V	77.6	Confident	77.3	Confident	74 Å²	74	48.4 Å²	48.4	45%	0.448	27%	0.269	S	S	.	.			trans	-110.4	135.6	175.5	-177.9	0	0	0	0	109.1	C183 E186 P190	C183-V188 CarbonylContact C-O 3.2Å; C183-V188 HydrophobicContact CB-CB 4.32Å; C183-V188 WeakPolarHBondContact CB-O 3.38Å; C183-V188 PolarHBondContact O-N 3.38Å; E186-V188 HydrophobicContact CB-CG2 4.21Å; V188-P190 WeakPolarHBondContact O-CD 3.21Å
189	L	70	Confident	77	Confident	78 Å²	78	49.8 Å²	49.8	41%	0.408	27%	0.273	S	S	.	.			trans	-75.3	123.8	-177.5	-172.5	68.6	0	0	0	108.9	F288	L189-F288 HydrophobicContact CB-CD1 3.87Å; L189-F288 HydrophobicContact CB-CE1 4.25Å
190	P	74.8	Confident	76.4	Confident	6 Å²	6	52.3 Å²	52.3	4%	0.039	28%	0.284	C	S	.	.			trans	-60.3	144.1	179.9	-23.7	33.7	0	0	0	112.2	V180 C183 I184 V188 C192 H196	V180-P190 HydrophobicContact CG1-CB 4.15Å; V180-P190 HydrophobicContact CG1-CG 3.99Å; C183-P190 HydrophobicContact CB-CB 4.47Å; C183-P190 HydrophobicContact CB-CG 4.05Å; I184-P190 HydrophobicContact CD1-CG 4.32Å; I184-P190 HydrophobicContact CG1-CG 3.84Å; V188-P190 WeakPolarHBondContact O-CD 3.21Å; P190-C192 PolarHBondContact O-N 3.46Å; P190-C192 VanDerWaalsContact O-N 3.1Å; P190-H196 PolarHBondContact O-NE2 3.42Å
191	D	67.9	Low	75.5	Confident	150 Å²	150	58.6 Å²	58.6	80%	0.802	31%	0.312	S	S	*	.	S	Bend	trans	-61.5	-20.4	177.2	-68.4	-51.5	0	0	0	113.5	P193	D191-P193 WeakPolarHBondContact O-CD 3.39Å
192	C	71.2	Confident	74.2	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.047	32%	0.317	C	S	.	.	S	Bend	trans	-81.8	116.5	176.6	-165.4	0	0	0	0	111.2	P190 L194 H196 E330	P190-C192 PolarHBondContact O-N 3.46Å; P190-C192 VanDerWaalsContact O-N 3.1Å; C192-L194 PolarHBondContact O-N 3.3Å; C192-L194 VanDerWaalsContact O-N 3.1Å; C192-H196 PolarHBondContact O-CD2 3.13Å; C192-H196 PolarHBondContact O-NE2 3.12Å; C192-E330 WeakPolarHBondContact CB-OE1 3.44Å
193	P	71.9	Confident	73.2	Confident	34 Å²	34	63.6 Å²	63.6	22%	0.221	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-62.2	-20.8	-178.2	-24.3	35.9	0	0	0	114.7	D191 F195 H196 F304	D191-P193 WeakPolarHBondContact O-CD 3.39Å; P193-F195 PolarHBondContact O-N 2.91Å; P193-H196 WeakPolarHBondContact O-CB 3.21Å; P193-H196 PolarHBondContact O-N 3.07Å; P193-F304 HydrophobicContact CB-CE1 3.95Å; P193-F304 HydrophobicContact CB-CZ 3.73Å; P193-F304 HydrophobicContact CG-CE1 4.45Å; P193-F304 HydrophobicContact CG-CZ 3.78Å
194	L	77.5	Confident	71.6	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.026	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-48.1	-31.8	-176.4	-169.3	62	0	0	0	114.6	C192 K198 T323 Q326 M327	C192-L194 PolarHBondContact O-N 3.3Å; C192-L194 VanDerWaalsContact O-N 3.1Å; L194-K198 WeakPolarHBondContact O-CD 3.3Å; L194-K198 VanDerWaalsContact O-CE 3.24Å; L194-K198 WeakPolarHBondContact O-CE 3.38Å; L194-K198 PolarHBondContact O-NZ 3.01Å; L194-T323 HydrophobicContact CD1-CG2 4.35Å; L194-Q326 HydrophobicContact CB-CB 4.47Å; L194-Q326 HydrophobicContact CD1-CB 4.12Å; L194-Q326 HydrophobicContact CD2-CB 4.13Å; L194-Q326 HydrophobicContact CG-CB 4.49Å; L194-M327 HydrophobicContact CD1-CE 4.07Å; L194-M327 HydrophobicContact CD1-CG 4.41Å; L194-M327 HydrophobicContact CD2-CE 3.89Å; L194-M327 HydrophobicContact CD2-CG 3.96Å; L194-M327 HydrophobicContact CD2-SD 3.77Å; L194-M327 HydrophobicContact CG-CE 4.12Å
195	F	75.9	Confident	70.4	Confident	4 Å²	4	72 Å²	72	2%	0.018	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-108.3	-0.8	-176.1	-50.7	-59.9	0	0	0	114	L176 V180 P193 N197 K198 V211 E330	L176-F195 HydrophobicContact CD2-CE1 3.91Å; L176-F195 HydrophobicContact CD2-CZ 3.94Å; V180-F195 HydrophobicContact CG1-CD2 3.55Å; V180-F195 HydrophobicContact CG1-CE2 3.61Å; V180-F195 HydrophobicContact CG2-CE2 4.34Å; P193-F195 PolarHBondContact O-N 2.91Å; F195-N197 PolarHBondContact O-N 2.91Å; F195-K198 PolarHBondContact O-N 2.84Å; F195-V211 HydrophobicContact CD1-CG1 4.12Å; F195-E330 HydrophobicContact CE2-CG 3.96Å; F195-E330 HydrophobicContact CZ-CG 4.37Å
196	H	74.1	Confident	69.2	Low	56 Å²	56	69.6 Å²	69.6	26%	0.259	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	134.2	-179.5	-68.5	-168.9	0	0	0	110.2	P190 C192 P193 K198	P190-H196 PolarHBondContact O-NE2 3.42Å; C192-H196 PolarHBondContact O-CD2 3.13Å; C192-H196 PolarHBondContact O-NE2 3.12Å; P193-H196 WeakPolarHBondContact O-CB 3.21Å; P193-H196 PolarHBondContact O-N 3.07Å; H196-K198 PolarHBondContact O-N 3.28Å; H196-K198 VanDerWaalsContact O-N 3.08Å
197	N	71.3	Confident	68.3	Low	106 Å²	106	70.9 Å²	70.9	57%	0.567	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	15.8	-178.5	-56.4	-36.7	0	0	0	115.9	F195 R282	F195-N197 PolarHBondContact O-N 2.91Å; N197-R282 PolarHBondContact ND2-O 2.94Å; N197-R282 VanDerWaalsContact ND2-O 3.11Å
198	K	78.6	Confident	68	Low	38 Å²	38	72.1 Å²	72.1	17%	0.165	41%	0.41	C	S	.	.			trans	-106	-6	177.7	-64.1	-177.4	-168.3	174.7	0	114.7	L194 F195 H196 Q200 V211 A212 L213 E217	L194-K198 WeakPolarHBondContact O-CD 3.3Å; L194-K198 VanDerWaalsContact O-CE 3.24Å; L194-K198 WeakPolarHBondContact O-CE 3.38Å; L194-K198 PolarHBondContact O-NZ 3.01Å; F195-K198 PolarHBondContact O-N 2.84Å; H196-K198 PolarHBondContact O-N 3.28Å; H196-K198 VanDerWaalsContact O-N 3.08Å; K198-Q200 PolarHBondContact O-N 3.09Å; K198-V211 HydrophobicContact CB-CG1 3.72Å; K198-V211 WeakPolarHBondContact O-CA 3.3Å; K198-A212 PolarHBondContact O-N 2.86Å; K198-L213 HydrophobicContact CD-CD2 4.17Å; K198-E217 IonicContact NZ-OE1 3.41Å; K198-E217 PolarHBondContact NZ-OE1 3.27Å; K198-E217 IonicContact NZ-OE2 3.77Å; K198-E217 PolarHBondContact NZ-OE2 3.06Å
199	L	78.9	Confident	68.2	Low	39 Å²	39	70.9 Å²	70.9	20%	0.204	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	124.4	174.1	-71.1	168.8	0	0	0	110.5	V173 I184 V211	V173-L199 HydrophobicContact CG2-CD2 4.03Å; I184-L199 HydrophobicContact CD1-CD2 4.11Å; I184-L199 HydrophobicContact CG1-CD1 4.37Å; I184-L199 HydrophobicContact CG1-CD2 4.21Å; I184-L199 HydrophobicContact CG2-CD1 4.16Å; I184-L199 HydrophobicContact CG2-CD2 3.59Å; L199-V211 HydrophobicContact CD2-CG2 4.05Å
200	Q	70.3	Confident	68.9	Low	68 Å²	68	68.5 Å²	68.5	32%	0.318	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.2	166.4	-68.5	163.6	-72.9	0	0	108.5	E170 K198 N210 A212	E170-Q200 VanDerWaalsContact CD-OE1 3.27Å; E170-Q200 PolarHBondContact OE1-NE2 2.75Å; E170-Q200 PolarHBondContact OE1-OE1 3.4Å; K198-Q200 PolarHBondContact O-N 3.09Å; Q200-N210 PolarHBondContact N-O 3.06Å; Q200-A212 HydrophobicContact CG-CB 4.19Å
201	F	65.4	Low	69.6	Low	132 Å²	132	68.2 Å²	68.2	58%	0.579	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-81.7	125.5	170.6	-68	-81.5	0	0	0	109.1	L209	F201-L209 HydrophobicContact CD1-CD2 4.01Å; F201-L209 HydrophobicContact CE1-CD2 4.34Å
202	P	57.9	Low	70.7	Confident	47 Å²	47	61.8 Å²	61.8	31%	0.305	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-61.9	153.2	177.3	20.4	-29.6	0	0	0	112.3	V206	P202-V206 HydrophobicContact CB-CB 3.65Å; P202-V206 HydrophobicContact CB-CG1 3.79Å; P202-V206 WeakPolarHBondContact CB-O 3.48Å; P202-V206 WeakPolarHBondContact CG-O 3.42Å
203	L	60.9	Low	71.7	Confident	137 Å²	137	61.5 Å²	61.5	72%	0.717	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-62.2	153.8	166.4	-78	84.8	0	0	0	110.3	G205 V206	L203-G205 PolarHBondContact O-N 3.28Å; L203-V206 PolarHBondContact O-N 3.29Å; L203-V206 VanDerWaalsContact O-N 3.17Å
204	P	47	Very low	72.7	Confident	141 Å²	141	61 Å²	61	92%	0.916	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	109.9	-179.6	-27.6	35.7	0	0	0	112.6
205	G	55.8	Low	73.6	Confident	76 Å²	76	60.8 Å²	60.8	78%	0.784	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.2	-22.1	-179.9	0	0	0	0	0	115.1	L203	L203-G205 PolarHBondContact O-N 3.28Å
206	V	55.1	Low	74.5	Confident	74 Å²	74	60.6 Å²	60.6	45%	0.448	35%	0.345	S	S	.	.			trans	-93.7	132.3	176.2	171.8	0	0	0	0	110.5	P202 L203	P202-V206 HydrophobicContact CB-CB 3.65Å; P202-V206 HydrophobicContact CB-CG1 3.79Å; P202-V206 WeakPolarHBondContact CB-O 3.48Å; P202-V206 WeakPolarHBondContact CG-O 3.42Å; L203-V206 PolarHBondContact O-N 3.29Å; L203-V206 VanDerWaalsContact O-N 3.17Å
207	L	60	Low	75.5	Confident	175 Å²	175	58.1 Å²	58.1	92%	0.916	33%	0.334	S	S	*	.			trans	-97.5	-3.4	-169.9	-64.8	174	0	0	0	114.8
208	T	66	Low	76.7	Confident	68 Å²	68	53.9 Å²	53.9	42%	0.417	31%	0.31	S	S	.	.			trans	-103.8	119.2	-176.3	47.8	0	0	0	0	111.5
209	L	81.4	Confident	77.6	Confident	47 Å²	47	52.1 Å²	52.1	25%	0.246	30%	0.303	C	S	.	.			trans	-76	133.5	166.1	-66.9	170.2	0	0	0	109.8	V173 I184 F201	V173-L209 HydrophobicContact CB-CB 4.07Å; V173-L209 WeakPolarHBondContact CB-O 3.3Å; V173-L209 HydrophobicContact CG2-CB 3.75Å; V173-L209 WeakPolarHBondContact CG2-O 3.34Å; V173-L209 PolarHBondContact N-O 2.96Å; I184-L209 HydrophobicContact CG2-CD1 3.93Å; F201-L209 HydrophobicContact CD1-CD2 4.01Å; F201-L209 HydrophobicContact CE1-CD2 4.34Å
210	N	85.4	Confident	78.5	Confident	28 Å²	28	50.3 Å²	50.3	15%	0.15	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154.8	178.1	-70.5	-6.1	0	0	0	110.7	E170 P172 Q200	E170-N210 HydrophobicContact CB-CB 4.23Å; E170-N210 PolarHBondContact OE2-ND2 3.01Å; P172-N210 WeakPolarHBondContact CA-OD1 3.43Å; Q200-N210 PolarHBondContact N-O 3.06Å
211	V	89	Confident	79.7	Confident	1 Å²	1	47 Å²	47	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.7	171.2	178	0	0	0	0	109.1	E170 V171 V173 L176 F195 K198 L199 L213	E170-V211 WeakPolarHBondContact CA-O 3.38Å; V171-V211 PolarHBondContact N-O 3.09Å; V171-V211 PolarHBondContact O-N 2.68Å; V173-V211 HydrophobicContact CG2-CG2 3.93Å; L176-V211 HydrophobicContact CD1-CG2 3.93Å; F195-V211 HydrophobicContact CD1-CG1 4.12Å; K198-V211 HydrophobicContact CB-CG1 3.72Å; K198-V211 WeakPolarHBondContact O-CA 3.3Å; L199-V211 HydrophobicContact CD2-CG2 4.05Å; V211-L213 HydrophobicContact CG1-CD2 3.71Å; V211-L213 HydrophobicContact CG1-CG 4.21Å; V211-L213 PolarHBondContact O-N 3.44Å
212	A	90.2	Very high	81.2	Confident	14 Å²	14	41.2 Å²	41.2	12%	0.116	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	109.1	172.9	0	0	0	0	0	110.9	K168 K198 Q200	K168-A212 HydrophobicContact CB-CB 4.5Å; K168-A212 HydrophobicContact CD-CB 4.22Å; K198-A212 PolarHBondContact O-N 2.86Å; Q200-A212 HydrophobicContact CG-CB 4.19Å
213	L	93	Very high	83.1	Confident	2 Å²	2	39 Å²	39	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	149.8	175.2	-61.7	-176.5	0	0	0	111	K168 Y169 V171 K198 V211 E217 F218 F221 M327	K168-L213 CarbonylContact C-O 3.57Å; K168-L213 VanDerWaalsContact CA-O 3.27Å; K168-L213 WeakPolarHBondContact CA-O 3.39Å; Y169-L213 PolarHBondContact N-O 2.97Å; Y169-L213 PolarHBondContact O-N 3.28Å; V171-L213 HydrophobicContact CB-CD1 4.46Å; V171-L213 HydrophobicContact CG2-CD1 3.71Å; V171-L213 HydrophobicContact CG2-CG 4.35Å; K198-L213 HydrophobicContact CD-CD2 4.17Å; V211-L213 HydrophobicContact CG1-CD2 3.71Å; V211-L213 HydrophobicContact CG1-CG 4.21Å; V211-L213 PolarHBondContact O-N 3.44Å; L213-E217 HydrophobicContact CB-CB 3.85Å; L213-E217 HydrophobicContact CD1-CB 4.47Å; L213-E217 HydrophobicContact CD2-CB 4.21Å; L213-E217 HydrophobicContact CG-CB 4.4Å; L213-F218 HydrophobicContact CB-CB 4.17Å; L213-F221 HydrophobicContact CD1-CB 3.91Å; L213-F221 HydrophobicContact CD1-CG 4.24Å; L213-M327 HydrophobicContact CD1-CE 3.93Å; L213-M327 HydrophobicContact CD2-CE 4.18Å
214	N	93.2	Very high	84.8	Confident	22 Å²	22	32.5 Å²	32.5	12%	0.118	20%	0.204	C	C	.	.			trans	-73.5	171.3	167.1	81.4	44.6	0	0	0	110.8	F216 E217 F218	N214-F216 VanDerWaalsContact C-N 3.32Å; N214-F216 PolarHBondContact O-N 2.99Å; N214-F216 WeakPolarHBondContact OD1-CB 3.41Å; N214-F216 PolarHBondContact OD1-N 2.89Å; N214-E217 PolarHBondContact N-OE2 2.96Å; N214-E217 VanDerWaalsContact N-OE2 3.09Å; N214-E217 WeakPolarHBondContact ND2-CG 3.43Å; N214-E217 PolarHBondContact ND2-OE1 3.24Å; N214-E217 PolarHBondContact O-N 2.86Å; N214-E217 PolarHBondContact OD1-N 3.5Å; N214-F218 WeakPolarHBondContact O-CB 3.39Å; N214-F218 PolarHBondContact O-N 3.32Å
215	P	95.8	Very high	87	Confident	1 Å²	1	27 Å²	27	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-34	-171.6	-23.2	37.9	0	0	0	113.5	F112 L162 Q163 Y167 Y169 F219	F112-P215 HydrophobicContact CE1-CB 4.46Å; F112-P215 HydrophobicContact CZ-CB 4.46Å; L162-P215 HydrophobicContact CB-CB 4.02Å; L162-P215 HydrophobicContact CB-CG 3.94Å; Q163-P215 HydrophobicContact CB-CG 4.32Å; Y167-P215 VanDerWaalsContact O-CD 3.27Å; Y167-P215 WeakPolarHBondContact O-CD 3.14Å; Y169-P215 HydrophobicContact CD2-CB 4.44Å; Y169-P215 HydrophobicContact CD2-CG 4.47Å; Y169-P215 HydrophobicContact CE2-CB 3.86Å; Y169-P215 HydrophobicContact CE2-CG 3.84Å; P215-F219 WeakPolarHBondContact O-CB 3.4Å; P215-F219 PolarHBondContact O-N 3.39Å
216	F	95.2	Very high	88.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72	-45	176.5	-178.4	-89.9	0	0	0	111	M156 V159 Y160 N214 F219 M220 F257 W319 R320 T323	M156-F216 HydrophobicContact SD-CD2 4.09Å; M156-F216 HydrophobicContact SD-CE2 4.24Å; V159-F216 HydrophobicContact CG1-CB 3.83Å; V159-F216 HydrophobicContact CG1-CD2 4.07Å; V159-F216 HydrophobicContact CG1-CG 4.43Å; Y160-F216 AromaticContact CE1-CD2 3.77Å; Y160-F216 HydrophobicContact CE1-CD2 3.77Å; Y160-F216 HydrophobicContact CE1-CE2 4.04Å; N214-F216 VanDerWaalsContact C-N 3.32Å; N214-F216 PolarHBondContact O-N 2.99Å; N214-F216 WeakPolarHBondContact OD1-CB 3.41Å; N214-F216 PolarHBondContact OD1-N 2.89Å; F216-F219 PolarHBondContact O-N 3.07Å; F216-M220 HydrophobicContact CD1-CG 4.18Å; F216-M220 HydrophobicContact CD2-CE 4.18Å; F216-M220 HydrophobicContact CE1-CE 3.97Å; F216-M220 HydrophobicContact CE1-CG 3.95Å; F216-M220 HydrophobicContact CE2-CE 3.46Å; F216-M220 VanDerWaalsContact CE2-CE 3.46Å; F216-M220 HydrophobicContact CZ-CE 3.33Å; F216-M220 HydrophobicContact CZ-CG 4.28Å; F216-M220 VanDerWaalsContact O-CG 3.3Å; F216-M220 WeakPolarHBondContact O-CG 3.27Å; F216-M220 PolarHBondContact O-N 3.28Å; F216-F257 AromaticContact CE2-CE1 3.97Å; F216-F257 HydrophobicContact CE2-CE1 3.97Å; F216-F257 HydrophobicContact CE2-CE2 4.49Å; F216-F257 AromaticContact CE2-CZ 3.69Å; F216-F257 HydrophobicContact CE2-CZ 3.69Å; F216-F257 AromaticContact CZ-CE1 3.9Å; F216-F257 HydrophobicContact CZ-CE1 3.9Å; F216-F257 AromaticContact CZ-CZ 3.92Å; F216-F257 HydrophobicContact CZ-CZ 3.92Å; F216-W319 HydrophobicContact CB-CH2 4.29Å; F216-W319 AromaticContact CD1-CH2 3.98Å; F216-W319 HydrophobicContact CD1-CH2 3.98Å; F216-W319 AromaticContact CD1-CZ3 3.73Å; F216-W319 HydrophobicContact CD1-CZ3 3.73Å; F216-W319 HydrophobicContact CE1-CZ3 4.18Å; F216-W319 HydrophobicContact CG-CH2 4.15Å; F216-W319 HydrophobicContact CG-CZ3 4.34Å; F216-R320 HydrophobicContact CE1-CB 3.99Å; F216-R320 HydrophobicContact CE1-CG 4.21Å; F216-R320 HydrophobicContact CE2-CB 4.34Å; F216-R320 HydrophobicContact CE2-CG 4.27Å; F216-R320 HydrophobicContact CZ-CB 3.63Å; F216-R320 HydrophobicContact CZ-CG 3.94Å; F216-T323 HydrophobicContact CD1-CG2 4.05Å; F216-T323 HydrophobicContact CE1-CG2 4.06Å
217	E	95.1	Very high	90.5	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-44.3	174	-71.4	169.7	178.8	0	0	112.2	K198 L213 N214 M220 F221 T323 M327	K198-E217 IonicContact NZ-OE1 3.41Å; K198-E217 PolarHBondContact NZ-OE1 3.27Å; K198-E217 IonicContact NZ-OE2 3.77Å; K198-E217 PolarHBondContact NZ-OE2 3.06Å; L213-E217 HydrophobicContact CB-CB 3.85Å; L213-E217 HydrophobicContact CD1-CB 4.47Å; L213-E217 HydrophobicContact CD2-CB 4.21Å; L213-E217 HydrophobicContact CG-CB 4.4Å; N214-E217 PolarHBondContact N-OE2 2.96Å; N214-E217 VanDerWaalsContact N-OE2 3.09Å; N214-E217 WeakPolarHBondContact ND2-CG 3.43Å; N214-E217 PolarHBondContact ND2-OE1 3.24Å; N214-E217 PolarHBondContact O-N 2.86Å; N214-E217 PolarHBondContact OD1-N 3.5Å; E217-M220 PolarHBondContact O-N 3.49Å; E217-F221 WeakPolarHBondContact O-CB 3.39Å; E217-F221 PolarHBondContact O-N 3.19Å; E217-T323 HydrophobicContact CG-CG2 3.68Å; E217-M327 HydrophobicContact CB-CE 4.04Å; E217-M327 WeakPolarHBondContact O-CE 3.38Å
218	F	96.4	Very high	91.9	Very high	17 Å²	17	14 Å²	14	8%	0.075	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-41.8	177.2	-175.2	-96.1	0	0	0	111.6	F112 V116 Y169 V171 L213 N214 F221 N222	F112-F218 HydrophobicContact CD1-CD1 4.36Å; F112-F218 AromaticContact CE1-CD1 3.59Å; F112-F218 HydrophobicContact CE1-CD1 3.59Å; F112-F218 HydrophobicContact CE1-CE1 4.19Å; F112-F218 HydrophobicContact CE1-CG 4.46Å; F112-F218 HydrophobicContact CZ-CD1 4.28Å; V116-F218 HydrophobicContact CB-CE1 3.94Å; V116-F218 HydrophobicContact CG1-CD1 4.23Å; V116-F218 HydrophobicContact CG1-CE1 3.73Å; V116-F218 HydrophobicContact CG2-CD1 4.27Å; V116-F218 HydrophobicContact CG2-CE1 4.06Å; Y169-F218 VanDerWaalsContact CB-CD2 3.44Å; Y169-F218 HydrophobicContact CD2-CB 4.12Å; Y169-F218 HydrophobicContact CD2-CD1 4.37Å; Y169-F218 HydrophobicContact CD2-CG 4.19Å; Y169-F218 HydrophobicContact CG-CD1 4.4Å; Y169-F218 HydrophobicContact CG-CD2 4.38Å; Y169-F218 HydrophobicContact CG-CG 4.21Å; V171-F218 HydrophobicContact CG2-CD2 3.74Å; V171-F218 HydrophobicContact CG2-CE2 3.83Å; L213-F218 HydrophobicContact CB-CB 4.17Å; N214-F218 WeakPolarHBondContact O-CB 3.39Å; N214-F218 PolarHBondContact O-N 3.32Å; F218-F221 PolarHBondContact O-N 3.15Å; F218-N222 WeakPolarHBondContact CE1-ND2 3.27Å; F218-N222 PolarHBondContact O-N 2.96Å; F218-N222 VanDerWaalsContact O-N 3.12Å; F218-N222 PolarHBondContact O-ND2 3.08Å
219	F	97.8	Very high	92.8	Very high	1 Å²	1	11.6 Å²	11.6	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-62.5	-48.2	174.1	-176.5	-90.1	0	0	0	111.8	F112 F120 M155 M156 V159 P215 F216 F221 N222 L223 Y253	F112-F219 HydrophobicContact CZ-CB 4.48Å; F120-F219 HydrophobicContact CE2-CD2 4.07Å; F120-F219 AromaticContact CE2-CE2 3.65Å; F120-F219 HydrophobicContact CE2-CE2 3.65Å; F120-F219 HydrophobicContact CE2-CZ 4.08Å; F120-F219 HydrophobicContact CZ-CE1 4.4Å; F120-F219 AromaticContact CZ-CE2 3.79Å; F120-F219 HydrophobicContact CZ-CE2 3.79Å; F120-F219 AromaticContact CZ-CZ 3.73Å; F120-F219 HydrophobicContact CZ-CZ 3.73Å; M155-F219 HydrophobicContact CE-CD2 4.05Å; M155-F219 HydrophobicContact CE-CE2 3.99Å; M155-F219 HydrophobicContact CG-CD2 4.3Å; M155-F219 HydrophobicContact CG-CE2 3.56Å; M155-F219 HydrophobicContact CG-CZ 4.31Å; M156-F219 HydrophobicContact CE-CD1 3.58Å; M156-F219 HydrophobicContact CE-CE1 3.53Å; M156-F219 HydrophobicContact CE-CG 4.26Å; M156-F219 HydrophobicContact CE-CZ 4.16Å; V159-F219 HydrophobicContact CG2-CB 3.81Å; V159-F219 HydrophobicContact CG2-CD2 3.9Å; V159-F219 HydrophobicContact CG2-CG 3.89Å; P215-F219 WeakPolarHBondContact O-CB 3.4Å; P215-F219 PolarHBondContact O-N 3.39Å; F216-F219 PolarHBondContact O-N 3.07Å; F219-F221 VanDerWaalsContact C-N 3.33Å; F219-F221 PolarHBondContact O-N 3.48Å; F219-N222 PolarHBondContact O-N 3.28Å; F219-L223 HydrophobicContact CE1-CD2 4.18Å; F219-L223 WeakPolarHBondContact O-CB 3.45Å; F219-L223 PolarHBondContact O-N 3.31Å; F219-Y253 HydrophobicContact CD1-CE1 4.5Å; F219-Y253 AromaticContact CE1-CE1 3.72Å; F219-Y253 HydrophobicContact CE1-CE1 3.72Å; F219-Y253 AromaticContact CE1-CZ 3.72Å; F219-Y253 VanDerWaalsContact CE1-OH 3.3Å; F219-Y253 WeakPolarHBondContact CE1-OH 3.47Å; F219-Y253 WeakPolarHBondContact CZ-OH 3.31Å
220	M	97.4	Very high	92.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.3	-34.7	179.2	-66.6	-56.6	174.6	0	0	112.7	M156 F216 E217 L223 A224 Y253 F257 L324 M327	M156-M220 HydrophobicContact CE-CE 4.32Å; F216-M220 HydrophobicContact CD1-CG 4.18Å; F216-M220 HydrophobicContact CD2-CE 4.18Å; F216-M220 HydrophobicContact CE1-CE 3.97Å; F216-M220 HydrophobicContact CE1-CG 3.95Å; F216-M220 HydrophobicContact CE2-CE 3.46Å; F216-M220 VanDerWaalsContact CE2-CE 3.46Å; F216-M220 HydrophobicContact CZ-CE 3.33Å; F216-M220 HydrophobicContact CZ-CG 4.28Å; F216-M220 VanDerWaalsContact O-CG 3.3Å; F216-M220 WeakPolarHBondContact O-CG 3.27Å; F216-M220 PolarHBondContact O-N 3.28Å; E217-M220 PolarHBondContact O-N 3.49Å; M220-L223 HydrophobicContact SD-CD2 4.03Å; M220-A224 VanDerWaalsContact O-CB 3.31Å; M220-A224 WeakPolarHBondContact O-CB 3.49Å; M220-A224 PolarHBondContact O-N 3Å; M220-Y253 HydrophobicContact CE-CD1 3.82Å; M220-Y253 HydrophobicContact CE-CE1 3.78Å; M220-Y253 HydrophobicContact SD-CD1 4.16Å; M220-Y253 HydrophobicContact SD-CE1 4.31Å; M220-F257 HydrophobicContact CE-CD2 4.38Å; M220-F257 HydrophobicContact CE-CE2 3.79Å; M220-F257 HydrophobicContact CE-CZ 4.18Å; M220-L324 HydrophobicContact CE-CD1 3.92Å; M220-L324 HydrophobicContact SD-CB 4.38Å; M220-L324 HydrophobicContact SD-CD1 3.88Å; M220-L324 HydrophobicContact SD-CG 4.18Å; M220-M327 HydrophobicContact CB-CB 4.21Å; M220-M327 HydrophobicContact CB-CG 3.96Å
221	F	96.4	Very high	91.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-52	172.4	177.6	-94.1	0	0	0	111.3	L123 V171 L176 L213 E217 F218 F219 A224 Y225 M327 I331	L123-F221 HydrophobicContact CD1-CE1 4.05Å; L123-F221 HydrophobicContact CD2-CE1 3.84Å; V171-F221 HydrophobicContact CG1-CD1 4.11Å; V171-F221 HydrophobicContact CG1-CE1 3.53Å; V171-F221 HydrophobicContact CG1-CE2 4.17Å; V171-F221 HydrophobicContact CG1-CZ 3.57Å; V171-F221 HydrophobicContact CG2-CD1 4.01Å; V171-F221 HydrophobicContact CG2-CE1 4.22Å; L176-F221 HydrophobicContact CD2-CE2 3.9Å; L213-F221 HydrophobicContact CD1-CB 3.91Å; L213-F221 HydrophobicContact CD1-CG 4.24Å; E217-F221 WeakPolarHBondContact O-CB 3.39Å; E217-F221 PolarHBondContact O-N 3.19Å; F218-F221 PolarHBondContact O-N 3.15Å; F219-F221 VanDerWaalsContact C-N 3.33Å; F219-F221 PolarHBondContact O-N 3.48Å; F221-A224 PolarHBondContact O-N 3.39Å; F221-Y225 HydrophobicContact CE1-CD2 4.4Å; F221-Y225 HydrophobicContact CE1-CG 4.45Å; F221-Y225 AromaticContact CZ-CD2 3.98Å; F221-Y225 HydrophobicContact CZ-CD2 3.98Å; F221-Y225 HydrophobicContact CZ-CG 4.46Å; F221-Y225 VanDerWaalsContact O-CB 3.27Å; F221-Y225 WeakPolarHBondContact O-CB 3.48Å; F221-Y225 PolarHBondContact O-N 2.64Å; F221-M327 HydrophobicContact CB-CE 3.96Å; F221-M327 HydrophobicContact CB-SD 3.72Å; F221-M327 HydrophobicContact CD2-SD 4.07Å; F221-M327 HydrophobicContact CG-SD 4.42Å; F221-I331 HydrophobicContact CD2-CD1 3.89Å; F221-I331 HydrophobicContact CD2-CG1 4.38Å; F221-I331 HydrophobicContact CE2-CD1 3.54Å; F221-I331 HydrophobicContact CE2-CG1 4.46Å
222	N	96.6	Very high	89.6	Confident	9 Å²	9	22.9 Å²	22.9	5%	0.048	12%	0.122	C	C	.	.	H	α-helix	trans	-67.3	-39.3	-178.8	-75.5	-84.3	0	0	0	112.1	V116 F120 F218 F219 A224 Y225 C226	V116-N222 HydrophobicContact CG1-CB 3.51Å; V116-N222 VanDerWaalsContact CG1-CG 3.42Å; F120-N222 HydrophobicContact CD2-CB 3.85Å; F120-N222 HydrophobicContact CE2-CB 4.43Å; F120-N222 HydrophobicContact CG-CB 4.34Å; F218-N222 WeakPolarHBondContact CE1-ND2 3.27Å; F218-N222 PolarHBondContact O-N 2.96Å; F218-N222 VanDerWaalsContact O-N 3.12Å; F218-N222 PolarHBondContact O-ND2 3.08Å; F219-N222 PolarHBondContact O-N 3.28Å; N222-A224 VanDerWaalsContact C-N 3.33Å; N222-A224 PolarHBondContact O-N 2.92Å; N222-Y225 PolarHBondContact O-N 3.45Å; N222-C226 WeakPolarHBondContact O-CB 3.35Å; N222-C226 PolarHBondContact O-N 2.91Å
223	L	97.2	Very high	87.5	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-44.7	171.7	176.2	62.9	0	0	0	111.4	F120 F219 M220 Y246 Y253 F328	F120-L223 HydrophobicContact CE1-CB 4.06Å; F120-L223 HydrophobicContact CE1-CD1 3.59Å; F120-L223 HydrophobicContact CE1-CG 4.44Å; F120-L223 HydrophobicContact CZ-CB 3.94Å; F120-L223 HydrophobicContact CZ-CD1 4.01Å; F219-L223 HydrophobicContact CE1-CD2 4.18Å; F219-L223 WeakPolarHBondContact O-CB 3.45Å; F219-L223 PolarHBondContact O-N 3.31Å; M220-L223 HydrophobicContact SD-CD2 4.03Å; L223-Y246 HydrophobicContact CD1-CE2 4Å; L223-Y246 VanDerWaalsContact O-CE2 3.23Å; L223-Y246 WeakPolarHBondContact O-CE2 3.37Å; L223-Y246 PolarHBondContact O-OH 2.99Å; L223-Y253 HydrophobicContact CD2-CD1 3.87Å; L223-Y253 HydrophobicContact CD2-CD2 4.48Å; L223-Y253 HydrophobicContact CD2-CE1 4.1Å; L223-Y253 HydrophobicContact CD2-CG 4.08Å; L223-F328 HydrophobicContact CD2-CE1 4.09Å; L223-F328 HydrophobicContact CD2-CZ 3.87Å; L223-F328 HydrophobicContact CG-CE1 4.23Å; L223-F328 HydrophobicContact CG-CZ 4.3Å
224	A	96.6	Very high	84.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.8	-43	177.2	0	0	0	0	0	112.3	M220 F221 N222 C226 L227 F328 I331 W332	M220-A224 VanDerWaalsContact O-CB 3.31Å; M220-A224 WeakPolarHBondContact O-CB 3.49Å; M220-A224 PolarHBondContact O-N 3Å; F221-A224 PolarHBondContact O-N 3.39Å; N222-A224 VanDerWaalsContact C-N 3.33Å; N222-A224 PolarHBondContact O-N 2.92Å; A224-C226 PolarHBondContact O-N 3.18Å; A224-L227 PolarHBondContact O-N 3.38Å; A224-F328 HydrophobicContact CB-CD1 3.85Å; A224-F328 HydrophobicContact CB-CE1 4.21Å; A224-I331 HydrophobicContact CB-CB 3.8Å; A224-I331 HydrophobicContact CB-CG1 4.05Å; A224-I331 HydrophobicContact CB-CG2 3.8Å; A224-W332 PolarHBondContact O-NE1 3.45Å
225	Y	94.1	Very high	82.4	Confident	27 Å²	27	39 Å²	39	11%	0.106	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-34.6	-175.6	-166.3	-89.9	0	0	0	112.7	L123 Y175 F221 N222 L227 I228 A229	L123-Y225 HydrophobicContact CB-CE1 4.27Å; L123-Y225 HydrophobicContact CD2-CD1 3.52Å; L123-Y225 HydrophobicContact CD2-CE1 3.96Å; L123-Y225 HydrophobicContact CD2-CG 3.9Å; L123-Y225 WeakPolarHBondContact O-CE1 3.45Å; L123-Y225 PolarHBondContact O-OH 3.04Å; Y175-Y225 WeakPolarHBondContact O-CE2 3.24Å; F221-Y225 HydrophobicContact CE1-CD2 4.4Å; F221-Y225 HydrophobicContact CE1-CG 4.45Å; F221-Y225 AromaticContact CZ-CD2 3.98Å; F221-Y225 HydrophobicContact CZ-CD2 3.98Å; F221-Y225 HydrophobicContact CZ-CG 4.46Å; F221-Y225 VanDerWaalsContact O-CB 3.27Å; F221-Y225 WeakPolarHBondContact O-CB 3.48Å; F221-Y225 PolarHBondContact O-N 2.64Å; N222-Y225 PolarHBondContact O-N 3.45Å; Y225-L227 PolarHBondContact O-N 2.84Å; Y225-I228 HydrophobicContact CD2-CD1 3.86Å; Y225-I228 HydrophobicContact CD2-CG1 4.02Å; Y225-I228 HydrophobicContact CE2-CD1 3.88Å; Y225-I228 HydrophobicContact CE2-CG1 4.22Å; Y225-I228 HydrophobicContact CG-CG1 4.33Å; Y225-I228 WeakPolarHBondContact O-CG1 3.24Å; Y225-I228 PolarHBondContact O-N 3.3Å; Y225-A229 HydrophobicContact CD1-CB 3.9Å; Y225-A229 HydrophobicContact CE1-CB 3.7Å; Y225-A229 PolarHBondContact O-N 2.8Å
226	C	92.9	Very high	79.8	Confident	12 Å²	12	45.5 Å²	45.5	8%	0.081	25%	0.248	C	C	.	.	H	α-helix	trans	-50.6	-29	177.8	-171.8	0	0	0	0	113.7	F120 R133 N222 A224 Y246	F120-C226 HydrophobicContact CB-CB 4.14Å; F120-C226 HydrophobicContact CD1-CB 3.98Å; F120-C226 HydrophobicContact CG-CB 4.45Å; F120-C226 PolarHBondContact O-SG 3.43Å; R133-C226 WeakPolarHBondContact CD-O 3.49Å; R133-C226 PolarHBondContact NH1-O 3.43Å; N222-C226 WeakPolarHBondContact O-CB 3.35Å; N222-C226 PolarHBondContact O-N 2.91Å; A224-C226 PolarHBondContact O-N 3.18Å; C226-Y246 HydrophobicContact CB-CD2 4.39Å; C226-Y246 HydrophobicContact CB-CE2 3.83Å
227	L	91.6	Very high	77.5	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-73.2	-39	175.7	-175.9	59.9	0	0	0	114	R133 A224 Y225 Y246 W332 E499 H500 V503	R133-L227 PolarHBondContact NH1-O 3.49Å; R133-L227 PolarHBondContact NH2-O 3.36Å; R133-L227 VanDerWaalsContact NH2-O 3.12Å; A224-L227 PolarHBondContact O-N 3.38Å; Y225-L227 PolarHBondContact O-N 2.84Å; L227-Y246 HydrophobicContact CB-CE1 3.89Å; L227-Y246 HydrophobicContact CD1-CD1 4.4Å; L227-Y246 HydrophobicContact CD1-CE1 3.91Å; L227-Y246 HydrophobicContact CD2-CE1 4.42Å; L227-Y246 HydrophobicContact CG-CE1 4.3Å; L227-W332 HydrophobicContact CD2-CD2 4.12Å; L227-W332 HydrophobicContact CD2-CG 4.2Å; L227-W332 HydrophobicContact CD2-CZ2 4.29Å; L227-E499 HydrophobicContact CD1-CG 4.07Å; L227-H500 HydrophobicContact CD1-CB 4.49Å; L227-H500 HydrophobicContact CD2-CB 4.44Å; L227-H500 HydrophobicContact CG-CB 4.29Å; L227-V503 HydrophobicContact CD1-CB 4.49Å; L227-V503 HydrophobicContact CD1-CG2 4.03Å; L227-V503 HydrophobicContact CD2-CB 3.69Å; L227-V503 HydrophobicContact CD2-CG1 3.72Å; L227-V503 HydrophobicContact CD2-CG2 4.09Å
228	I	89.1	Confident	75.1	Confident	35 Å²	35	60.9 Å²	60.9	18%	0.179	33%	0.325	C	S	.	.	H	α-helix	trans	-97.3	-11.9	-174.6	65.7	155.9	0	0	0	113.5	Y225 I331 F494	Y225-I228 HydrophobicContact CD2-CD1 3.86Å; Y225-I228 HydrophobicContact CD2-CG1 4.02Å; Y225-I228 HydrophobicContact CE2-CD1 3.88Å; Y225-I228 HydrophobicContact CE2-CG1 4.22Å; Y225-I228 HydrophobicContact CG-CG1 4.33Å; Y225-I228 WeakPolarHBondContact O-CG1 3.24Å; Y225-I228 PolarHBondContact O-N 3.3Å; I228-I331 HydrophobicContact CD1-CG2 3.7Å; I228-I331 HydrophobicContact CG1-CG2 3.98Å; I228-F494 HydrophobicContact CB-CE2 4.2Å; I228-F494 HydrophobicContact CB-CZ 4.24Å; I228-F494 HydrophobicContact CG2-CE2 4.34Å; I228-F494 HydrophobicContact CG2-CZ 3.9Å
229	A	85.1	Confident	72.8	Confident	19 Å²	19	63.9 Å²	63.9	16%	0.157	35%	0.347	C	S	.	.	S	Bend	trans	-54.4	136.8	-179.4	0	0	0	0	0	111.6	Y225 R231	Y225-A229 HydrophobicContact CD1-CB 3.9Å; Y225-A229 HydrophobicContact CE1-CB 3.7Å; Y225-A229 PolarHBondContact O-N 2.8Å; A229-R231 PolarHBondContact O-N 3.12Å
230	P	70.9	Confident	70.7	Confident	76 Å²	76	66.6 Å²	66.6	49%	0.494	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-65.5	125.9	-178.5	27.4	-34	0	0	0	110.3
231	R	66.3	Low	69.2	Low	97 Å²	97	68 Å²	68	37%	0.366	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-95.2	127.5	175.9	-65.6	-167.7	-173	177.5	5.6	111.5	R133 A229 C233 E499	R133-R231 VanDerWaalsContact NE-NH2 3.16Å; A229-R231 PolarHBondContact O-N 3.12Å; R231-C233 HydrophobicContact CB-CB 3.89Å; R231-C233 PolarHBondContact O-N 2.78Å; R231-E499 IonicContact CZ-OE2 3.7Å; R231-E499 IonicContact NH2-OE1 2.63Å; R231-E499 IonicContact NH2-OE2 3.57Å; R231-E499 PolarHBondContact NH2-OE2 3.25Å
232	N	51.8	Low	68.4	Low	140 Å²	140	70.5 Å²	70.5	75%	0.749	39%	0.391	S	S	*	.			trans	-72.5	61.6	160.2	-69.2	-48.3	0	0	0	111	G125 L234	G125-N232 PolarHBondContact O-ND2 2.77Å; N232-L234 PolarHBondContact O-N 3.45Å
233	C	44.3	Very low	67.9	Low	76 Å²	76	73.4 Å²	73.4	51%	0.514	41%	0.407	S	S	.	.			trans	-91.7	97.3	-168.4	-153.1	0	0	0	0	112.7	R231 Q235	R231-C233 HydrophobicContact CB-CB 3.89Å; R231-C233 PolarHBondContact O-N 2.78Å; C233-Q235 PolarHBondContact O-N 3.27Å
234	L	39.8	Very low	67.6	Low	176 Å²	176	73.4 Å²	73.4	92%	0.921	41%	0.407	S	S	*	.			trans	-76.5	6.6	175.8	-68.4	174	0	0	0	114.6	N232	N232-L234 PolarHBondContact O-N 3.45Å
235	Q	41.1	Very low	67.5	Low	125 Å²	125	73.4 Å²	73.4	58%	0.584	41%	0.407	S	S	*	.			trans	-145.3	111.4	-174	-124.2	-178.4	20.6	0	0	113.8	C233 Q237	C233-Q235 PolarHBondContact O-N 3.27Å; Q235-Q237 VanDerWaalsContact C-N 3.34Å; Q235-Q237 HydrophobicContact CB-CG 4.44Å; Q235-Q237 HydrophobicContact CG-CG 4.34Å; Q235-Q237 PolarHBondContact O-N 3.11Å
236	P	40.2	Very low	67.6	Low	137 Å²	137	72.1 Å²	72.1	89%	0.89	40%	0.402	S	S	*	.			trans	-81.9	75.1	174	33.7	-34.1	0	0	0	110.9
237	Q	46.6	Very low	67.7	Low	143 Å²	143	72.9 Å²	72.9	67%	0.668	40%	0.404	S	S	*	.			trans	-84.9	132.3	176.1	-68.5	-146.8	22.2	0	0	112.7	Q235 C239	Q235-Q237 VanDerWaalsContact C-N 3.34Å; Q235-Q237 HydrophobicContact CB-CG 4.44Å; Q235-Q237 HydrophobicContact CG-CG 4.34Å; Q235-Q237 PolarHBondContact O-N 3.11Å; Q237-C239 VanDerWaalsContact C-N 3.27Å; Q237-C239 PolarHBondContact O-N 2.91Å
238	L	45.3	Very low	68	Low	185 Å²	185	74.6 Å²	74.6	97%	0.969	41%	0.414	S	S	*	.			trans	-82.3	54.1	-170.4	-162.3	83.2	0	0	0	112.8
239	C	47.3	Very low	68.3	Low	79 Å²	79	73 Å²	73	53%	0.534	41%	0.406	S	S	.	.			trans	-87.6	156.2	-174.5	-149.3	0	0	0	0	114	H136 Q237 S241	H136-C239 VanDerWaalsContact CE1-SG 3.51Å; H136-C239 PolarHBondContact NE2-SG 2.89Å; Q237-C239 VanDerWaalsContact C-N 3.27Å; Q237-C239 PolarHBondContact O-N 2.91Å; C239-S241 PolarHBondContact O-N 2.97Å; C239-S241 VanDerWaalsContact O-N 3.15Å
240	S	55.2	Low	68.9	Low	58 Å²	58	72.1 Å²	72.1	41%	0.406	40%	0.399	S	S	.	.			trans	-75.8	96.7	176.9	-172.3	0	0	0	0	110.5	T242 D243	S240-T242 PolarHBondContact O-N 2.87Å; S240-D243 WeakPolarHBondContact CB-OD2 3.48Å; S240-D243 PolarHBondContact O-N 3.28Å; S240-D243 VanDerWaalsContact O-N 3.09Å; S240-D243 PolarHBondContact OG-OD2 2.83Å
241	S	64.5	Low	70.2	Confident	31 Å²	31	70 Å²	70	22%	0.217	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-62.4	-24.5	-172.5	50.8	0	0	0	0	114.6	C239 D243 S244 L502	C239-S241 PolarHBondContact O-N 2.97Å; C239-S241 VanDerWaalsContact O-N 3.15Å; S241-D243 PolarHBondContact O-N 2.86Å; S241-S244 PolarHBondContact O-OG 2.86Å; S241-L502 VanDerWaalsContact OG-CD1 3.26Å; S241-L502 WeakPolarHBondContact OG-CD1 3.36Å
242	T	80.8	Confident	71.6	Confident	52 Å²	52	68.1 Å²	68.1	32%	0.319	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-70.4	-15.9	176.5	55.4	0	0	0	0	114.1	S240 F247	S240-T242 PolarHBondContact O-N 2.87Å; T242-F247 HydrophobicContact CG2-CE1 4.1Å; T242-F247 HydrophobicContact CG2-CE2 4.03Å; T242-F247 HydrophobicContact CG2-CZ 3.77Å; T242-F247 WeakPolarHBondContact O-CD1 3.34Å
243	D	84.8	Confident	73.8	Confident	70 Å²	70	61.6 Å²	61.6	37%	0.374	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-107.3	13.9	-171.4	-44	-26.6	0	0	0	111.2	S137 S240 S241	S137-D243 PolarHBondContact N-O 2.96Å; S240-D243 WeakPolarHBondContact CB-OD2 3.48Å; S240-D243 PolarHBondContact O-N 3.28Å; S240-D243 VanDerWaalsContact O-N 3.09Å; S240-D243 PolarHBondContact OG-OD2 2.83Å; S241-D243 PolarHBondContact O-N 2.86Å
244	S	92.2	Very high	76.3	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-82.6	150.2	174.8	65.6	0	0	0	0	111.7	L135 S241 Y246 F247 V248	L135-S244 CarbonylContact O-C 3.51Å; L135-S244 WeakPolarHBondContact O-CA 3.45Å; S241-S244 PolarHBondContact O-OG 2.86Å; S244-Y246 PolarHBondContact O-N 3.47Å; S244-F247 PolarHBondContact O-N 2.77Å; S244-F247 VanDerWaalsContact O-N 3.13Å; S244-F247 WeakPolarHBondContact OG-CB 3.26Å; S244-F247 PolarHBondContact OG-N 3.08Å; S244-V248 PolarHBondContact O-N 3.11Å
245	A	94.8	Very high	78.8	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-36.1	-179.7	0	0	0	0	0	111.1	L132 L135 F142 L146 V248 L249	L132-A245 PolarHBondContact O-N 3.09Å; L135-A245 HydrophobicContact CB-CB 4.08Å; L135-A245 HydrophobicContact CD2-CB 3.92Å; L135-A245 HydrophobicContact CG-CB 4.07Å; L135-A245 PolarHBondContact O-N 2.74Å; F142-A245 HydrophobicContact CD2-CB 3.94Å; F142-A245 HydrophobicContact CE2-CB 3.89Å; L146-A245 HydrophobicContact CD2-CB 4.2Å; A245-V248 PolarHBondContact O-N 3.04Å; A245-L249 WeakPolarHBondContact O-CB 3.33Å; A245-L249 VanDerWaalsContact O-CG 3.24Å; A245-L249 WeakPolarHBondContact O-CG 3.34Å; A245-L249 PolarHBondContact O-N 2.68Å
246	Y	95.6	Very high	81.3	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-48.5	173	-175.1	-93.7	0	0	0	112.8	L132 R133 L223 C226 L227 S244 V248 L249 V250 V503	L132-Y246 HydrophobicContact CB-CD2 4.45Å; L132-Y246 PolarHBondContact O-N 2.82Å; R133-Y246 HydrophobicContact CG-CD1 4.03Å; R133-Y246 HydrophobicContact CG-CD2 4.14Å; R133-Y246 HydrophobicContact CG-CG 3.61Å; L223-Y246 HydrophobicContact CD1-CE2 4Å; L223-Y246 VanDerWaalsContact O-CE2 3.23Å; L223-Y246 WeakPolarHBondContact O-CE2 3.37Å; L223-Y246 PolarHBondContact O-OH 2.99Å; C226-Y246 HydrophobicContact CB-CD2 4.39Å; C226-Y246 HydrophobicContact CB-CE2 3.83Å; L227-Y246 HydrophobicContact CB-CE1 3.89Å; L227-Y246 HydrophobicContact CD1-CD1 4.4Å; L227-Y246 HydrophobicContact CD1-CE1 3.91Å; L227-Y246 HydrophobicContact CD2-CE1 4.42Å; L227-Y246 HydrophobicContact CG-CE1 4.3Å; S244-Y246 PolarHBondContact O-N 3.47Å; Y246-V248 VanDerWaalsContact C-N 3.34Å; Y246-V248 PolarHBondContact O-N 3.07Å; Y246-L249 PolarHBondContact O-N 3.44Å; Y246-V250 HydrophobicContact CD1-CG2 4.3Å; Y246-V250 HydrophobicContact CE1-CG2 3.7Å; Y246-V250 HydrophobicContact CE2-CG2 4.4Å; Y246-V250 WeakPolarHBondContact O-CG2 3.34Å; Y246-V250 PolarHBondContact O-N 3.09Å; Y246-V503 HydrophobicContact CE1-CG2 4.35Å
247	F	95.4	Very high	83.8	Confident	29 Å²	29	45.5 Å²	45.5	13%	0.127	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-40.6	-179.7	-169.5	-83.2	0	0	0	111.7	T242 S244 V250 D251 L502 V503 L506	T242-F247 HydrophobicContact CG2-CE1 4.1Å; T242-F247 HydrophobicContact CG2-CE2 4.03Å; T242-F247 HydrophobicContact CG2-CZ 3.77Å; T242-F247 WeakPolarHBondContact O-CD1 3.34Å; S244-F247 PolarHBondContact O-N 2.77Å; S244-F247 VanDerWaalsContact O-N 3.13Å; S244-F247 WeakPolarHBondContact OG-CB 3.26Å; S244-F247 PolarHBondContact OG-N 3.08Å; F247-V250 PolarHBondContact O-N 2.87Å; F247-D251 PolarHBondContact O-N 3.35Å; F247-L502 HydrophobicContact CE2-CB 4.23Å; F247-V503 HydrophobicContact CD2-CG2 3.7Å; F247-V503 HydrophobicContact CE2-CG2 4.13Å; F247-L506 HydrophobicContact CD1-CD2 4.15Å; F247-L506 HydrophobicContact CD2-CD2 4.47Å; F247-L506 HydrophobicContact CE1-CD1 4.32Å; F247-L506 HydrophobicContact CE1-CD2 3.86Å; F247-L506 HydrophobicContact CE2-CB 4.33Å; F247-L506 HydrophobicContact CE2-CD2 4.2Å; F247-L506 HydrophobicContact CG-CD2 4.45Å; F247-L506 HydrophobicContact CZ-CB 4.05Å; F247-L506 HydrophobicContact CZ-CD1 4.33Å; F247-L506 HydrophobicContact CZ-CD2 3.88Å; F247-L506 HydrophobicContact CZ-CG 4.32Å
248	V	96.2	Very high	86	Confident	38 Å²	38	38.9 Å²	38.9	23%	0.23	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-37.3	176.6	177.1	0	0	0	0	111.9	F142 L146 S244 A245 Y246 D251 L252	F142-V248 HydrophobicContact CZ-CG2 4.22Å; L146-V248 HydrophobicContact CD1-CB 4.44Å; L146-V248 HydrophobicContact CD1-CG1 3.71Å; L146-V248 HydrophobicContact CD2-CB 4.1Å; L146-V248 HydrophobicContact CD2-CG1 3.95Å; S244-V248 PolarHBondContact O-N 3.11Å; A245-V248 PolarHBondContact O-N 3.04Å; Y246-V248 VanDerWaalsContact C-N 3.34Å; Y246-V248 PolarHBondContact O-N 3.07Å; V248-D251 WeakPolarHBondContact O-CB 3.48Å; V248-D251 PolarHBondContact O-N 3.19Å; V248-L252 HydrophobicContact CG1-CD1 4.27Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 2.8Å
249	L	97.2	Very high	88	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-48.4	171.6	-76.6	165.7	0	0	0	111.1	L132 L146 L149 A245 Y246 D251 L252 Y253	L132-L249 HydrophobicContact CD1-CD1 4.22Å; L146-L249 HydrophobicContact CD2-CD1 4.45Å; L146-L249 HydrophobicContact CD2-CD2 4.06Å; L146-L249 HydrophobicContact CD2-CG 3.73Å; L149-L249 HydrophobicContact CB-CD1 4.02Å; L149-L249 HydrophobicContact CB-CD2 3.79Å; L149-L249 HydrophobicContact CD1-CD1 3.84Å; A245-L249 WeakPolarHBondContact O-CB 3.33Å; A245-L249 VanDerWaalsContact O-CG 3.24Å; A245-L249 WeakPolarHBondContact O-CG 3.34Å; A245-L249 PolarHBondContact O-N 2.68Å; Y246-L249 PolarHBondContact O-N 3.44Å; L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 3.32Å; L249-L252 PolarHBondContact O-N 2.99Å; L249-L252 VanDerWaalsContact O-N 3.1Å; L249-Y253 HydrophobicContact CD2-CE2 4.29Å; L249-Y253 VanDerWaalsContact O-CD2 3.24Å; L249-Y253 WeakPolarHBondContact O-CD2 3.45Å; L249-Y253 PolarHBondContact O-N 2.64Å
250	V	97.6	Very high	89.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.2	-37.6	176.8	174.2	0	0	0	0	111.7	Y246 F247 L254 F328 W332 V503 L506	Y246-V250 HydrophobicContact CD1-CG2 4.3Å; Y246-V250 HydrophobicContact CE1-CG2 3.7Å; Y246-V250 HydrophobicContact CE2-CG2 4.4Å; Y246-V250 WeakPolarHBondContact O-CG2 3.34Å; Y246-V250 PolarHBondContact O-N 3.09Å; F247-V250 PolarHBondContact O-N 2.87Å; V250-L254 HydrophobicContact CG1-CD1 3.69Å; V250-L254 HydrophobicContact CG1-CG 4.28Å; V250-L254 WeakPolarHBondContact O-CB 3.49Å; V250-L254 VanDerWaalsContact O-CG 3.26Å; V250-L254 WeakPolarHBondContact O-CG 3.47Å; V250-L254 PolarHBondContact O-N 3.35Å; V250-F328 HydrophobicContact CG1-CE2 4.18Å; V250-W332 HydrophobicContact CG1-CH2 3.72Å; V250-W332 HydrophobicContact CG1-CZ3 4.39Å; V250-W332 HydrophobicContact CG2-CH2 4.24Å; V250-W332 HydrophobicContact CG2-CZ2 4.44Å; V250-V503 HydrophobicContact CG1-CG1 3.97Å; V250-V503 HydrophobicContact CG2-CG1 4.49Å; V250-L506 HydrophobicContact CB-CD2 4.22Å; V250-L506 HydrophobicContact CG1-CD2 3.93Å
251	D	96.7	Very high	90.8	Very high	31 Å²	31	36.2 Å²	36.2	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-43.8	173.9	-175.5	55.6	0	0	0	112.6	F247 V248 L249 K255 L506 H510	F247-D251 PolarHBondContact O-N 3.35Å; V248-D251 WeakPolarHBondContact O-CB 3.48Å; V248-D251 PolarHBondContact O-N 3.19Å; L249-D251 VanDerWaalsContact C-N 3.25Å; L249-D251 PolarHBondContact O-N 3.32Å; D251-K255 WeakPolarHBondContact O-CB 3.27Å; D251-K255 WeakPolarHBondContact O-CD 3.31Å; D251-K255 WeakPolarHBondContact O-CG 3.39Å; D251-K255 PolarHBondContact O-N 2.74Å; D251-K255 WeakPolarHBondContact OD1-CE 3.34Å; D251-K255 IonicContact OD1-NZ 3.07Å; D251-K255 WeakPolarHBondContact OD2-CE 3.39Å; D251-K255 IonicContact OD2-NZ 2.73Å; D251-K255 PolarHBondContact OD2-NZ 3.02Å; D251-L506 HydrophobicContact CB-CD1 4.29Å; D251-L506 HydrophobicContact CB-CD2 3.96Å; D251-H510 IonicContact OD1-CD2 2.68Å; D251-H510 IonicContact OD1-CE1 2.77Å; D251-H510 PolarHBondContact OD1-CE1 3.48Å; D251-H510 IonicContact OD1-NE2 2.76Å; D251-H510 PolarHBondContact OD1-NE2 3.35Å
252	L	96.6	Very high	91.3	Very high	59 Å²	59	37.9 Å²	37.9	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-44.7	175.6	-70.9	169.5	0	0	0	112.3	V248 L249 K255 Y256	V248-L252 HydrophobicContact CG1-CD1 4.27Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 2.8Å; L249-L252 PolarHBondContact O-N 2.99Å; L249-L252 VanDerWaalsContact O-N 3.1Å; L252-K255 PolarHBondContact O-N 3.19Å; L252-Y256 WeakPolarHBondContact O-CB 3.42Å; L252-Y256 PolarHBondContact O-N 3.49Å
253	Y	97.5	Very high	90.8	Very high	2 Å²	2	39 Å²	39	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-42.7	179.2	-88.4	-104.2	0	0	0	112	L149 P151 M156 F219 M220 L223 L249 Y256 F257 L324	L149-Y253 WeakPolarHBondContact O-CE2 3.41Å; L149-Y253 PolarHBondContact O-OH 3.44Å; P151-Y253 HydrophobicContact CG-CD1 4.23Å; P151-Y253 HydrophobicContact CG-CD2 3.64Å; P151-Y253 HydrophobicContact CG-CE1 4.3Å; P151-Y253 HydrophobicContact CG-CE2 3.75Å; P151-Y253 HydrophobicContact CG-CG 3.9Å; M156-Y253 HydrophobicContact CE-CE1 3.72Å; M156-Y253 WeakPolarHBondContact CE-OH 3.5Å; F219-Y253 HydrophobicContact CD1-CE1 4.5Å; F219-Y253 AromaticContact CE1-CE1 3.72Å; F219-Y253 HydrophobicContact CE1-CE1 3.72Å; F219-Y253 AromaticContact CE1-CZ 3.72Å; F219-Y253 VanDerWaalsContact CE1-OH 3.3Å; F219-Y253 WeakPolarHBondContact CE1-OH 3.47Å; F219-Y253 WeakPolarHBondContact CZ-OH 3.31Å; M220-Y253 HydrophobicContact CE-CD1 3.82Å; M220-Y253 HydrophobicContact CE-CE1 3.78Å; M220-Y253 HydrophobicContact SD-CD1 4.16Å; M220-Y253 HydrophobicContact SD-CE1 4.31Å; L223-Y253 HydrophobicContact CD2-CD1 3.87Å; L223-Y253 HydrophobicContact CD2-CD2 4.48Å; L223-Y253 HydrophobicContact CD2-CE1 4.1Å; L223-Y253 HydrophobicContact CD2-CG 4.08Å; L249-Y253 HydrophobicContact CD2-CE2 4.29Å; L249-Y253 VanDerWaalsContact O-CD2 3.24Å; L249-Y253 WeakPolarHBondContact O-CD2 3.45Å; L249-Y253 PolarHBondContact O-N 2.64Å; Y253-Y256 PolarHBondContact O-N 3.17Å; Y253-F257 HydrophobicContact CD1-CD2 4.18Å; Y253-F257 AromaticContact CD1-CE2 3.83Å; Y253-F257 HydrophobicContact CD1-CE2 3.83Å; Y253-F257 HydrophobicContact CE1-CE2 4.16Å; Y253-F257 WeakPolarHBondContact O-CD2 3.4Å; Y253-F257 PolarHBondContact O-N 2.88Å; Y253-L324 HydrophobicContact CD1-CD1 4.2Å
254	L	96.4	Very high	90.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-43.3	175.2	-72.1	168.1	0	0	0	111.6	V250 Y256 L258 L324 F328 L506 L507 H510	V250-L254 HydrophobicContact CG1-CD1 3.69Å; V250-L254 HydrophobicContact CG1-CG 4.28Å; V250-L254 WeakPolarHBondContact O-CB 3.49Å; V250-L254 VanDerWaalsContact O-CG 3.26Å; V250-L254 WeakPolarHBondContact O-CG 3.47Å; V250-L254 PolarHBondContact O-N 3.35Å; L254-Y256 VanDerWaalsContact C-N 3.34Å; L254-Y256 PolarHBondContact O-N 2.79Å; L254-L258 HydrophobicContact CD2-CD1 3.67Å; L254-L258 WeakPolarHBondContact O-CA 3.36Å; L254-L258 WeakPolarHBondContact O-CB 3.29Å; L254-L258 PolarHBondContact O-N 2.92Å; L254-L324 HydrophobicContact CD2-CD2 3.95Å; L254-F328 HydrophobicContact CD2-CD2 4.04Å; L254-F328 HydrophobicContact CD2-CE2 4.07Å; L254-F328 HydrophobicContact CG-CE2 4.19Å; L254-L506 HydrophobicContact CD1-CG 4.23Å; L254-L507 HydrophobicContact CD1-CB 4.42Å; L254-L507 HydrophobicContact CD1-CD1 4.48Å; L254-L507 HydrophobicContact CD2-CD1 3.77Å; L254-H510 HydrophobicContact CB-CB 4.09Å; L254-H510 HydrophobicContact CD1-CB 4.37Å
255	K	93.6	Very high	89.5	Confident	115 Å²	115	37 Å²	37	50%	0.5	20%	0.204	S	C	.	.	H	α-helix	trans	-60	-41.4	175.1	-76	167.1	175.4	170.5	0	113.2	D251 L252	D251-K255 WeakPolarHBondContact O-CB 3.27Å; D251-K255 WeakPolarHBondContact O-CD 3.31Å; D251-K255 WeakPolarHBondContact O-CG 3.39Å; D251-K255 PolarHBondContact O-N 2.74Å; D251-K255 WeakPolarHBondContact OD1-CE 3.34Å; D251-K255 IonicContact OD1-NZ 3.07Å; D251-K255 WeakPolarHBondContact OD2-CE 3.39Å; D251-K255 IonicContact OD2-NZ 2.73Å; D251-K255 PolarHBondContact OD2-NZ 3.02Å; L252-K255 PolarHBondContact O-N 3.19Å
256	Y	93.1	Very high	88.1	Confident	62 Å²	62	39.7 Å²	39.7	24%	0.243	23%	0.227	C	C	.	.	H	α-helix	trans	-71.3	-52.2	-177.6	-171.7	-97.2	0	0	0	111.3	P151 L252 Y253 L254 P265	P151-Y256 HydrophobicContact CB-CD1 3.42Å; P151-Y256 VanDerWaalsContact CB-CD1 3.42Å; P151-Y256 HydrophobicContact CB-CD2 3.81Å; P151-Y256 HydrophobicContact CB-CE1 3.79Å; P151-Y256 HydrophobicContact CB-CE2 4.15Å; P151-Y256 HydrophobicContact CB-CG 3.42Å; P151-Y256 VanDerWaalsContact CB-CG 3.42Å; P151-Y256 HydrophobicContact CG-CD1 4.28Å; P151-Y256 HydrophobicContact CG-CD2 4.48Å; P151-Y256 HydrophobicContact CG-CG 3.97Å; L252-Y256 WeakPolarHBondContact O-CB 3.42Å; L252-Y256 PolarHBondContact O-N 3.49Å; Y253-Y256 PolarHBondContact O-N 3.17Å; L254-Y256 VanDerWaalsContact C-N 3.34Å; L254-Y256 PolarHBondContact O-N 2.79Å; Y256-P265 HydrophobicContact CD1-CB 4.07Å; Y256-P265 HydrophobicContact CD1-CG 3.62Å; Y256-P265 HydrophobicContact CD2-CG 4.3Å; Y256-P265 HydrophobicContact CE1-CB 3.44Å; Y256-P265 VanDerWaalsContact CE1-CB 3.44Å; Y256-P265 HydrophobicContact CE1-CG 3.55Å; Y256-P265 HydrophobicContact CE2-CB 4.11Å; Y256-P265 HydrophobicContact CE2-CG 4.25Å; Y256-P265 HydrophobicContact CG-CG 4.01Å; Y256-P265 VanDerWaalsContact CZ-CB 3.47Å; Y256-P265 WeakPolarHBondContact O-CD 3.46Å; Y256-P265 WeakPolarHBondContact O-CG 3.33Å
257	F	93.1	Very high	86.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-84	-13.5	-175.4	-69.2	-73	0	0	0	114.5	P151 F216 M220 Y253 P259 R320 S321 L324	P151-F257 HydrophobicContact CB-CE2 4.28Å; F216-F257 AromaticContact CE2-CE1 3.97Å; F216-F257 HydrophobicContact CE2-CE1 3.97Å; F216-F257 HydrophobicContact CE2-CE2 4.49Å; F216-F257 AromaticContact CE2-CZ 3.69Å; F216-F257 HydrophobicContact CE2-CZ 3.69Å; F216-F257 AromaticContact CZ-CE1 3.9Å; F216-F257 HydrophobicContact CZ-CE1 3.9Å; F216-F257 AromaticContact CZ-CZ 3.92Å; F216-F257 HydrophobicContact CZ-CZ 3.92Å; M220-F257 HydrophobicContact CE-CD2 4.38Å; M220-F257 HydrophobicContact CE-CE2 3.79Å; M220-F257 HydrophobicContact CE-CZ 4.18Å; Y253-F257 HydrophobicContact CD1-CD2 4.18Å; Y253-F257 AromaticContact CD1-CE2 3.83Å; Y253-F257 HydrophobicContact CD1-CE2 3.83Å; Y253-F257 HydrophobicContact CE1-CE2 4.16Å; Y253-F257 WeakPolarHBondContact O-CD2 3.4Å; Y253-F257 PolarHBondContact O-N 2.88Å; F257-P259 VanDerWaalsContact O-CD 3.23Å; F257-P259 WeakPolarHBondContact O-CD 3.25Å; F257-R320 HydrophobicContact CD1-CB 4.08Å; F257-R320 HydrophobicContact CE1-CB 3.98Å; F257-S321 WeakPolarHBondContact O-CB 3.35Å; F257-S321 PolarHBondContact O-OG 3.18Å; F257-L324 HydrophobicContact CB-CD1 4.03Å; F257-L324 HydrophobicContact CD2-CD1 3.45Å; F257-L324 VanDerWaalsContact CD2-CD1 3.45Å; F257-L324 HydrophobicContact CE2-CD1 4.22Å; F257-L324 HydrophobicContact CG-CD1 3.96Å
258	L	92.4	Very high	84.7	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-116.8	67.3	175.5	-52	176.2	0	0	0	111.4	L254 I260 L325 H510 F514	L254-L258 HydrophobicContact CD2-CD1 3.67Å; L254-L258 WeakPolarHBondContact O-CA 3.36Å; L254-L258 WeakPolarHBondContact O-CB 3.29Å; L254-L258 PolarHBondContact O-N 2.92Å; L258-I260 PolarHBondContact O-N 3.07Å; L258-L325 HydrophobicContact CD1-CD1 4.3Å; L258-L325 HydrophobicContact CD1-CD2 3.97Å; L258-L325 HydrophobicContact CD1-CG 4.31Å; L258-L325 HydrophobicContact CD2-CD1 3.59Å; L258-L325 HydrophobicContact CD2-CG 3.95Å; L258-H510 HydrophobicContact CD1-CB 4.48Å; L258-F514 HydrophobicContact CB-CB 4.12Å; L258-F514 HydrophobicContact CB-CD1 4.36Å; L258-F514 HydrophobicContact CB-CD2 3.72Å; L258-F514 HydrophobicContact CB-CE2 4.14Å; L258-F514 HydrophobicContact CB-CG 3.83Å; L258-F514 HydrophobicContact CD2-CD1 4.2Å; L258-F514 HydrophobicContact CD2-CE1 4.07Å; L258-F514 HydrophobicContact CD2-CG 4.5Å; L258-F514 HydrophobicContact CD2-CZ 4.24Å; L258-F514 WeakPolarHBondContact O-CD2 3.49Å
259	P	88	Confident	82.8	Confident	11 Å²	11	43.6 Å²	43.6	7%	0.071	25%	0.25	C	C	.	.			trans	-63.9	118.7	-174.9	27.6	-38	0	0	0	112.6	F257 E261 S263 V264 F514 K540	F257-P259 VanDerWaalsContact O-CD 3.23Å; F257-P259 WeakPolarHBondContact O-CD 3.25Å; P259-E261 WeakPolarHBondContact CB-O 3.24Å; P259-S263 WeakPolarHBondContact CG-O 3.33Å; P259-V264 HydrophobicContact CG-CG1 4.27Å; P259-F514 HydrophobicContact CG-CE2 4.28Å; P259-F514 WeakPolarHBondContact O-CD2 3.27Å; P259-F514 WeakPolarHBondContact O-CE2 3.42Å; P259-K540 VanDerWaalsContact O-CE 3.23Å; P259-K540 WeakPolarHBondContact O-CE 3.38Å; P259-K540 PolarHBondContact O-NZ 2.82Å
260	I	84.4	Confident	80.3	Confident	80 Å²	80	49 Å²	49	41%	0.41	28%	0.283	S	S	.	.	S	Bend	trans	-68.4	-40.6	168.7	-62.6	169	0	0	0	109.3	L258 A513 S517	L258-I260 PolarHBondContact O-N 3.07Å; I260-A513 HydrophobicContact CD1-CB 3.7Å; I260-A513 HydrophobicContact CG1-CB 4.22Å; I260-S517 VanDerWaalsContact O-CB 3.28Å; I260-S517 WeakPolarHBondContact O-CB 3.31Å; I260-S517 PolarHBondContact O-OG 2.96Å
261	E	76.6	Confident	77.4	Confident	175 Å²	175	54.7 Å²	54.7	82%	0.818	31%	0.313	S	S	*	.	S	Bend	trans	-119.9	143.8	177.9	-63	179.8	-165	0	0	110.3	P259	P259-E261 WeakPolarHBondContact CB-O 3.24Å
262	G	73.3	Confident	74.4	Confident	65 Å²	65	59.3 Å²	59.3	67%	0.67	35%	0.348	S	S	*	.	S	Bend	trans	82.9	-168.4	-178.5	0	0	0	0	0	114.9
263	S	72	Confident	71.7	Confident	75 Å²	75	68.1 Å²	68.1	52%	0.524	38%	0.377	S	S	.	.	S	Bend	trans	-85.9	175.9	171.5	61.4	0	0	0	0	111.2	P259	P259-S263 WeakPolarHBondContact CG-O 3.33Å
264	V	74.9	Confident	69	Low	2 Å²	2	70.3 Å²	70.3	1%	0.012	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-59.7	152.6	163.3	-73.5	0	0	0	0	111.5	P259 A314 E317 I318 S321 L536	P259-V264 HydrophobicContact CG-CG1 4.27Å; V264-A314 HydrophobicContact CG2-CB 4.36Å; V264-A314 WeakPolarHBondContact CG2-O 3.12Å; V264-E317 HydrophobicContact CG2-CB 3.74Å; V264-I318 HydrophobicContact CG1-CG1 4.16Å; V264-I318 HydrophobicContact CG2-CG1 4.12Å; V264-S321 WeakPolarHBondContact CG1-OG 3.48Å; V264-L536 HydrophobicContact CG1-CD1 3.91Å
265	P	73.1	Confident	66.5	Low	26 Å²	26	72.5 Å²	72.5	17%	0.169	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-69.9	135.4	-179.2	-18.3	31.9	0	0	0	112.6	Y256	Y256-P265 HydrophobicContact CD1-CB 4.07Å; Y256-P265 HydrophobicContact CD1-CG 3.62Å; Y256-P265 HydrophobicContact CD2-CG 4.3Å; Y256-P265 HydrophobicContact CE1-CB 3.44Å; Y256-P265 VanDerWaalsContact CE1-CB 3.44Å; Y256-P265 HydrophobicContact CE1-CG 3.55Å; Y256-P265 HydrophobicContact CE2-CB 4.11Å; Y256-P265 HydrophobicContact CE2-CG 4.25Å; Y256-P265 HydrophobicContact CG-CG 4.01Å; Y256-P265 VanDerWaalsContact CZ-CB 3.47Å; Y256-P265 WeakPolarHBondContact O-CD 3.46Å; Y256-P265 WeakPolarHBondContact O-CG 3.33Å
266	A	66.5	Low	64.4	Low	58 Å²	58	68.6 Å²	68.6	48%	0.479	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-70.4	153.5	-179.8	0	0	0	0	0	113.4	P268 E317	A266-P268 WeakPolarHBondContact O-CD 3.01Å; A266-E317 VanDerWaalsContact CA-OE1 3.28Å; A266-E317 WeakPolarHBondContact CA-OE1 3.08Å; A266-E317 WeakPolarHBondContact CA-OE2 3.39Å
267	S	62.8	Low	62.1	Low	4 Å²	4	69.1 Å²	69.1	3%	0.028	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-57.3	121.4	163.3	-177.9	0	0	0	0	109.8	F269 E317	S267-F269 PolarHBondContact O-N 3.39Å; S267-F269 PolarHBondContact OG-N 2.85Å; S267-F269 PolarHBondContact OG-O 3.06Å; S267-E317 PolarHBondContact N-OE1 2.88Å
268	P	57.6	Low	59.9	Low	81 Å²	81	70.2 Å²	70.2	53%	0.526	43%	0.428	S	S	.	.	S	Bend	trans	-69.3	-11.2	174.8	29.3	-34.4	0	0	0	112.6	Y160 A266	Y160-P268 VanDerWaalsContact CD2-CD 3.5Å; Y160-P268 HydrophobicContact CD2-CG 3.48Å; Y160-P268 VanDerWaalsContact CD2-CG 3.48Å; Y160-P268 HydrophobicContact CE2-CG 3.88Å; Y160-P268 HydrophobicContact CG-CG 4.42Å; A266-P268 WeakPolarHBondContact O-CD 3.01Å
269	F	55.1	Low	57.6	Low	63 Å²	63	73.7 Å²	73.7	28%	0.276	45%	0.45	S	S	.	.			trans	-101.3	92.3	167.6	-63.7	-88.8	0	0	0	108.8	K157 K161 S267	K157-F269 HydrophobicContact CG-CE2 4.14Å; K157-F269 HydrophobicContact CG-CZ 3.94Å; K157-F269 WeakPolarHBondContact O-CE2 3.44Å; K161-F269 HydrophobicContact CB-CE2 4.24Å; K161-F269 HydrophobicContact CB-CZ 3.9Å; K161-F269 HydrophobicContact CG-CZ 4.48Å; S267-F269 PolarHBondContact O-N 3.39Å; S267-F269 PolarHBondContact OG-N 2.85Å; S267-F269 PolarHBondContact OG-O 3.06Å
270	T	45	Very low	55.1	Low	116 Å²	116	77.4 Å²	77.4	71%	0.712	48%	0.477	S	S	*	.			trans	-98.8	73.9	164.8	54.9	0	0	0	0	108.7
271	D	36.3	Very low	52.7	Low	119 Å²	119	77.8 Å²	77.8	64%	0.636	48%	0.484	S	S	*	.			trans	-76.2	159.8	179.6	-149.2	-24.3	0	0	0	111	R273 G274	D271-R273 PolarHBondContact O-N 3.03Å; D271-G274 PolarHBondContact O-N 3.48Å
272	S	33.9	Very low	50.8	Low	129 Å²	129	78.6 Å²	78.6	90%	0.902	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	9.3	-174.5	-59.6	0	0	0	0	114.7
273	R	39.7	Very low	48.6	Very low	244 Å²	244	80.3 Å²	80.3	92%	0.921	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-2.8	174.1	-69.6	-179.8	173.1	171.4	-0.9	113.7	D271	D271-R273 PolarHBondContact O-N 3.03Å
274	G	40.4	Very low	46.8	Very low	47 Å²	47	80.4 Å²	80.4	49%	0.485	49%	0.489	S	S	.	.			trans	103.6	176	178.5	0	0	0	0	0	113.9	D271	D271-G274 PolarHBondContact O-N 3.48Å
275	S	44.1	Very low	44.8	Very low	46 Å²	46	86.3 Å²	86.3	32%	0.322	53%	0.53	S	S	.	.			trans	-67.2	146.4	179.5	-167.1	0	0	0	0	111.7	A277	S275-A277 PolarHBondContact O-N 3.27Å
276	V	50.3	Low	43.2	Very low	34 Å²	34	88.6 Å²	88.6	21%	0.206	54%	0.543	C	S	.	.			trans	-67.2	98.9	176.6	-179.1	0	0	0	0	109	Q163	Q163-V276 HydrophobicContact CG-CG1 4.16Å
277	A	44.2	Very low	41.5	Very low	72 Å²	72	91.8 Å²	91.8	60%	0.595	56%	0.562	S	S	*	*			trans	-60	149.8	-173.6	0	0	0	0	0	113	S275	S275-A277 PolarHBondContact O-N 3.27Å
278	A	46.7	Very low	40.5	Very low	24 Å²	24	95.6 Å²	95.6	20%	0.198	58%	0.578	C	S	.	*			trans	-58.2	142.7	173.6	0	0	0	0	0	111	S280 W319	A278-S280 PolarHBondContact O-N 2.87Å; A278-W319 HydrophobicContact CB-CB 4.29Å; A278-W319 HydrophobicContact CB-CG 4.02Å
279	P	44.6	Very low	39.3	Very low	76 Å²	76	95.7 Å²	95.7	49%	0.494	59%	0.586	S	S	.	*			trans	-59.8	114.6	-177.1	22.6	-32.8	0	0	0	111.4
280	S	36.6	Very low	38.2	Very low	90 Å²	90	96.5 Å²	96.5	63%	0.629	61%	0.612	S	S	*	*			trans	-67.4	129.4	-170.9	-175.9	0	0	0	0	112.4	A278 R282	A278-S280 PolarHBondContact O-N 2.87Å; S280-R282 VanDerWaalsContact C-N 3.34Å; S280-R282 PolarHBondContact O-N 2.94Å
281	P	33.8	Very low	37.5	Very low	87 Å²	87	101.5 Å²	101.5	57%	0.565	62%	0.619	S	S	*	*			trans	-74.3	83.2	-179.6	31	-35.1	0	0	0	111
282	R	35.9	Very low	37.4	Very low	192 Å²	192	99.2 Å²	99.2	73%	0.725	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-61.7	137.1	170.8	-65.8	-176.9	-176.7	155.2	6.5	109.8	N197 S280	N197-R282 PolarHBondContact ND2-O 2.94Å; N197-R282 VanDerWaalsContact ND2-O 3.11Å; S280-R282 VanDerWaalsContact C-N 3.34Å; S280-R282 PolarHBondContact O-N 2.94Å
283	A	27.9	Very low	37	Very low	101 Å²	101	99.3 Å²	99.3	84%	0.835	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-60.9	138.6	178.5	0	0	0	0	0	111.3	S285	A283-S285 PolarHBondContact O-N 3.2Å
284	S	32.5	Very low	36.4	Very low	78 Å²	78	96.6 Å²	96.6	55%	0.545	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-69.5	123	-179.3	51.5	0	0	0	0	111.5	V286	S284-V286 PolarHBondContact O-N 3.05Å
285	S	34	Very low	35.7	Very low	126 Å²	126	99.3 Å²	99.3	88%	0.881	63%	0.628	S	S	*	*	S	Bend	trans	-78.8	5.2	172.4	55	0	0	0	0	114.1	A283	A283-S285 PolarHBondContact O-N 3.2Å
286	V	40.1	Very low	35	Very low	73 Å²	73	103.5 Å²	103.5	44%	0.442	65%	0.654	S	S	.	*	S	Bend	trans	-125.8	122.4	-175.3	-175	0	0	0	0	109.5	S284 F288	S284-V286 PolarHBondContact O-N 3.05Å; V286-F288 HydrophobicContact CG1-CD2 4.22Å; V286-F288 HydrophobicContact CG1-CE2 4.2Å; V286-F288 PolarHBondContact O-N 3.37Å
287	S	30.2	Very low	33.9	Very low	125 Å²	125	105.5 Å²	105.5	87%	0.874	67%	0.669	S	S	*	*			trans	-78.4	115.1	177	-58	0	0	0	0	111
288	F	42	Very low	33.5	Very low	84 Å²	84	110.9 Å²	110.9	37%	0.368	69%	0.687	S	S	.	*			trans	-91.9	140.6	168.7	-94.8	-135.6	0	0	0	110.8	G187 L189 V286 G290	G187-F288 WeakPolarHBondContact O-CD1 3.49Å; G187-F288 WeakPolarHBondContact O-CE1 3.34Å; L189-F288 HydrophobicContact CB-CD1 3.87Å; L189-F288 HydrophobicContact CB-CE1 4.25Å; V286-F288 HydrophobicContact CG1-CD2 4.22Å; V286-F288 HydrophobicContact CG1-CE2 4.2Å; V286-F288 PolarHBondContact O-N 3.37Å; F288-G290 PolarHBondContact O-N 3.32Å
289	A	33.1	Very low	32.8	Very low	83 Å²	83	115.9 Å²	115.9	69%	0.686	71%	0.71	S	S	*	*			trans	-83.5	92.6	-178	0	0	0	0	0	111.4	Y291	A289-Y291 PolarHBondContact O-N 3.1Å
290	G	30.4	Very low	32.3	Very low	80 Å²	80	120.5 Å²	120.5	83%	0.825	72%	0.722	S	S	*	*			trans	-76.3	105.3	173.5	0	0	0	0	0	112.3	F288	F288-G290 PolarHBondContact O-N 3.32Å
291	Y	31.3	Very low	32.3	Very low	222 Å²	222	123.2 Å²	123.2	87%	0.871	72%	0.724	S	S	*	*			trans	-73.4	131.4	166.9	-78.4	-83.1	0	0	0	110.4	A289	A289-Y291 PolarHBondContact O-N 3.1Å
292	G	32.8	Very low	32.5	Very low	71 Å²	71	125.9 Å²	125.9	73%	0.732	73%	0.729	S	S	*	*			trans	-78.7	127.9	-165	0	0	0	0	0	115
293	V	26.2	Very low	32.8	Very low	130 Å²	130	120.5 Å²	120.5	79%	0.788	71%	0.714	S	S	*	*			trans	-119.4	124.6	151.7	179.3	0	0	0	0	106.9	S295	V293-S295 PolarHBondContact O-N 3.48Å
294	H	27.2	Very low	33.3	Very low	187 Å²	187	120.4 Å²	120.4	87%	0.866	70%	0.695	S	S	*	*			trans	-73.1	101.6	-172.1	-65.1	-81.5	0	0	0	111.8	P296	H294-P296 WeakPolarHBondContact O-CD 3.31Å
295	S	26.8	Very low	33.9	Very low	105 Å²	105	120.2 Å²	120.2	73%	0.734	69%	0.685	S	S	*	*			trans	-91	110.1	171.1	-64.3	0	0	0	0	110.8	V293 S297	V293-S295 PolarHBondContact O-N 3.48Å; S295-S297 PolarHBondContact O-N 3.11Å
296	P	28.8	Very low	33.7	Very low	134 Å²	134	122.1 Å²	122.1	87%	0.87	68%	0.68	S	S	*	*			trans	-81.4	80.3	-179.1	33.6	-35.2	0	0	0	111.3	H294	H294-P296 WeakPolarHBondContact O-CD 3.31Å
297	S	27.7	Very low	33.5	Very low	75 Å²	75	124 Å²	124	52%	0.524	69%	0.693	S	S	.	*			trans	-152.2	113	166.2	-173.8	0	0	0	0	112.8	S295 L299	S295-S297 PolarHBondContact O-N 3.11Å; S297-L299 WeakPolarHBondContact OG-CA 3.48Å; S297-L299 PolarHBondContact OG-N 3.43Å
298	L	35.6	Very low	33.8	Very low	186 Å²	186	121.3 Å²	121.3	97%	0.974	68%	0.675	S	S	*	*	S	Bend	trans	-80.6	3.6	162.2	-72	169.1	0	0	0	112.1
299	L	32.2	Very low	33.8	Very low	129 Å²	129	124.3 Å²	124.3	68%	0.675	70%	0.7	S	S	*	*			trans	-105	46.4	177.3	-66.5	172.5	0	0	0	111.1	S297 H301	S297-L299 WeakPolarHBondContact OG-CA 3.48Å; S297-L299 PolarHBondContact OG-N 3.43Å; L299-H301 PolarHBondContact O-N 2.92Å
300	K	33.6	Very low	34.2	Very low	172 Å²	172	127.7 Å²	127.7	75%	0.748	71%	0.707	S	S	*	*			trans	-75.7	65	167.8	-163.7	174.7	-174.7	177.7	0	109.6	H302	K300-H302 PolarHBondContact O-N 2.97Å; K300-H302 PolarHBondContact O-ND1 2.99Å
301	H	36.5	Very low	35.1	Very low	148 Å²	148	125.3 Å²	125.3	69%	0.685	68%	0.679	S	S	*	*			trans	-50.1	122.3	-175.2	-94.7	-93.7	0	0	0	110.9	L299 I303	L299-H301 PolarHBondContact O-N 2.92Å; H301-I303 VanDerWaalsContact C-N 3.35Å; H301-I303 PolarHBondContact O-N 3.4Å
302	H	37.2	Very low	36.1	Very low	143 Å²	143	118.5 Å²	118.5	66%	0.662	66%	0.657	S	S	*	*			trans	-75.5	88.3	179.4	-79.6	32.8	0	0	0	110.2	K300	K300-H302 PolarHBondContact O-N 2.97Å; K300-H302 PolarHBondContact O-ND1 2.99Å
303	I	42	Very low	37.3	Very low	79 Å²	79	119.5 Å²	119.5	41%	0.405	65%	0.651	S	S	.	*			trans	-89.5	26.8	150.5	-35.6	-179.2	0	0	0	109.5	H301 E538	H301-I303 VanDerWaalsContact C-N 3.35Å; H301-I303 PolarHBondContact O-N 3.4Å; I303-E538 HydrophobicContact CD1-CG 3.88Å
304	F	39.2	Very low	38.8	Very low	99 Å²	99	114.1 Å²	114.1	43%	0.434	62%	0.62	S	S	.	*	S	Bend	trans	-89.2	125.6	148.6	-78	-80.4	0	0	0	106.4	P193 Q306	P193-F304 HydrophobicContact CB-CE1 3.95Å; P193-F304 HydrophobicContact CB-CZ 3.73Å; P193-F304 HydrophobicContact CG-CE1 4.45Å; P193-F304 HydrophobicContact CG-CZ 3.78Å; F304-Q306 PolarHBondContact O-N 3.35Å
305	H	44.2	Very low	40.2	Very low	74 Å²	74	105.8 Å²	105.8	34%	0.343	58%	0.584	S	S	.	*			trans	-54.3	103.3	-174.6	-55.6	-87.3	0	0	0	111.7	P307 A315	H305-P307 WeakPolarHBondContact O-CD 3.23Å; H305-A315 PolarHBondContact CE1-O 3.25Å
306	Q	31.5	Very low	41.9	Very low	165 Å²	165	104 Å²	104	77%	0.771	56%	0.564	S	S	*	*			trans	-69	121.1	140.2	-83.9	-163.1	-15.4	0	0	106.2	F304 S308	F304-Q306 PolarHBondContact O-N 3.35Å; Q306-S308 PolarHBondContact O-N 2.93Å
307	P	36	Very low	44.1	Very low	112 Å²	112	98.4 Å²	98.4	73%	0.727	53%	0.526	S	S	*	.			trans	-71.6	84	167.1	30.6	-32.7	0	0	0	107.8	H305 V309	H305-P307 WeakPolarHBondContact O-CD 3.23Å; P307-V309 PolarHBondContact O-N 2.63Å
308	S	35.8	Very low	46.8	Very low	69 Å²	69	95.3 Å²	95.3	48%	0.483	50%	0.503	S	S	.	.			trans	-62	135.4	163.5	62.1	0	0	0	0	107.5	Q306 N310 A311	Q306-S308 PolarHBondContact O-N 2.93Å; S308-N310 PolarHBondContact O-N 3.42Å; S308-A311 WeakPolarHBondContact O-CB 3.4Å; S308-A311 PolarHBondContact O-N 3.45Å
309	V	41.8	Very low	49.3	Very low	147 Å²	147	86.9 Å²	86.9	89%	0.891	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.9	-171.1	-173.6	0	0	0	0	112.3	P307	P307-V309 PolarHBondContact O-N 2.63Å
310	N	41.4	Very low	52	Low	155 Å²	155	80.8 Å²	80.8	83%	0.829	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	25.5	177.6	-58.3	-12.8	0	0	0	113	S308	S308-N310 PolarHBondContact O-N 3.42Å
311	A	48.5	Very low	54.8	Low	29 Å²	29	72.6 Å²	72.6	24%	0.24	39%	0.391	C	S	.	.			trans	-65.4	135.4	176.8	0	0	0	0	0	111.9	S308	S308-A311 WeakPolarHBondContact O-CB 3.4Å; S308-A311 PolarHBondContact O-N 3.45Å
312	D	54	Low	57.3	Low	79 Å²	79	66.4 Å²	66.4	42%	0.422	36%	0.363	S	S	.	.			trans	-48.4	128.4	171.1	173.5	2.2	0	0	0	110.8	A314 A315 Q316	D312-A314 PolarHBondContact O-N 3.33Å; D312-A314 WeakPolarHBondContact OD1-CB 3.17Å; D312-A314 PolarHBondContact OD1-N 2.98Å; D312-A315 HydrophobicContact CB-CB 4.16Å; D312-A315 WeakPolarHBondContact O-CA 2.95Å; D312-A315 VanDerWaalsContact O-CB 3.25Å; D312-A315 WeakPolarHBondContact O-CB 3.32Å; D312-A315 PolarHBondContact O-N 2.82Å; D312-Q316 PolarHBondContact O-N 2.95Å
313	P	56.7	Low	59.9	Low	92 Å²	92	60.2 Å²	60.2	60%	0.597	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-49.2	-39.1	174.4	-29.6	36.3	0	0	0	113.8	A315 Q316	P313-A315 VanDerWaalsContact C-N 3.25Å; P313-A315 PolarHBondContact O-N 3.44Å; P313-Q316 WeakPolarHBondContact O-CB 3.48Å; P313-Q316 PolarHBondContact O-N 2.89Å
314	A	57.9	Low	62.4	Low	17 Å²	17	56.4 Å²	56.4	14%	0.14	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-63.7	-32.6	177.2	0	0	0	0	0	112.1	V264 D312 Q316 E317 I318	V264-A314 HydrophobicContact CG2-CB 4.36Å; V264-A314 WeakPolarHBondContact CG2-O 3.12Å; D312-A314 PolarHBondContact O-N 3.33Å; D312-A314 WeakPolarHBondContact OD1-CB 3.17Å; D312-A314 PolarHBondContact OD1-N 2.98Å; A314-Q316 PolarHBondContact O-N 3.07Å; A314-E317 PolarHBondContact O-N 2.74Å; A314-E317 VanDerWaalsContact O-N 3.07Å; A314-I318 WeakPolarHBondContact O-CG1 3.5Å; A314-I318 PolarHBondContact O-N 3.5Å
315	A	58	Low	65	Low	12 Å²	12	51.7 Å²	51.7	10%	0.099	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-68.6	-22.1	174.8	0	0	0	0	0	112.9	H305 D312 P313 E317 P535	H305-A315 PolarHBondContact CE1-O 3.25Å; D312-A315 HydrophobicContact CB-CB 4.16Å; D312-A315 WeakPolarHBondContact O-CA 2.95Å; D312-A315 VanDerWaalsContact O-CB 3.25Å; D312-A315 WeakPolarHBondContact O-CB 3.32Å; D312-A315 PolarHBondContact O-N 2.82Å; P313-A315 VanDerWaalsContact C-N 3.25Å; P313-A315 PolarHBondContact O-N 3.44Å; A315-E317 PolarHBondContact O-N 3.02Å; A315-P535 HydrophobicContact CB-CB 3.96Å; A315-P535 HydrophobicContact CB-CG 3.83Å
316	Q	61.1	Low	67.3	Low	67 Å²	67	48.9 Å²	48.9	31%	0.313	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-78.4	-3.3	171.8	-54.7	-172.9	4.7	0	0	113.1	D312 P313 A314 W319	D312-Q316 PolarHBondContact O-N 2.95Å; P313-Q316 WeakPolarHBondContact O-CB 3.48Å; P313-Q316 PolarHBondContact O-N 2.89Å; A314-Q316 PolarHBondContact O-N 3.07Å; Q316-W319 PolarHBondContact O-NE1 3.4Å
317	E	75.1	Confident	70.2	Confident	18 Å²	18	41 Å²	41	8%	0.084	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-17.9	-173	-60.1	-169.9	123.1	0	0	113.4	V264 A266 S267 A314 A315 W319 R320	V264-E317 HydrophobicContact CG2-CB 3.74Å; A266-E317 VanDerWaalsContact CA-OE1 3.28Å; A266-E317 WeakPolarHBondContact CA-OE1 3.08Å; A266-E317 WeakPolarHBondContact CA-OE2 3.39Å; S267-E317 PolarHBondContact N-OE1 2.88Å; A314-E317 PolarHBondContact O-N 2.74Å; A314-E317 VanDerWaalsContact O-N 3.07Å; A315-E317 PolarHBondContact O-N 3.02Å; E317-W319 PolarHBondContact O-N 2.98Å; E317-W319 VanDerWaalsContact O-N 3.1Å; E317-R320 WeakPolarHBondContact O-CB 3.37Å; E317-R320 PolarHBondContact O-N 3.32Å; E317-R320 IonicContact OE1-NH1 3.59Å; E317-R320 PolarHBondContact OE1-NH1 3.04Å
318	I	84.9	Confident	73.1	Confident	9 Å²	9	35.7 Å²	35.7	5%	0.046	21%	0.21	C	C	.	.	H	α-helix	trans	-53.1	-30.6	173.1	-69.4	168	0	0	0	112.5	V264 A314 R320 S321 E322 P535 L536 F539	V264-I318 HydrophobicContact CG1-CG1 4.16Å; V264-I318 HydrophobicContact CG2-CG1 4.12Å; A314-I318 WeakPolarHBondContact O-CG1 3.5Å; A314-I318 PolarHBondContact O-N 3.5Å; I318-R320 PolarHBondContact O-N 3.44Å; I318-R320 VanDerWaalsContact O-N 3.09Å; I318-S321 WeakPolarHBondContact O-CB 3.5Å; I318-S321 PolarHBondContact O-N 3.21Å; I318-E322 PolarHBondContact O-N 3Å; I318-P535 VanDerWaalsContact CD1-C 3.49Å; I318-P535 HydrophobicContact CD1-CB 3.77Å; I318-L536 HydrophobicContact CD1-CB 4Å; I318-L536 HydrophobicContact CG1-CD1 4.43Å; I318-F539 HydrophobicContact CG2-CB 4.29Å; I318-F539 HydrophobicContact CG2-CD1 4.02Å; I318-F539 HydrophobicContact CG2-CD2 4.24Å; I318-F539 HydrophobicContact CG2-CE1 4.39Å; I318-F539 HydrophobicContact CG2-CG 3.94Å
319	W	86.8	Confident	75.8	Confident	9 Å²	9	32.5 Å²	32.5	3%	0.034	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-27	179.3	76.8	-97.3	0	0	0	112.6	F216 A278 Q316 E317 T323	F216-W319 HydrophobicContact CB-CH2 4.29Å; F216-W319 AromaticContact CD1-CH2 3.98Å; F216-W319 HydrophobicContact CD1-CH2 3.98Å; F216-W319 AromaticContact CD1-CZ3 3.73Å; F216-W319 HydrophobicContact CD1-CZ3 3.73Å; F216-W319 HydrophobicContact CE1-CZ3 4.18Å; F216-W319 HydrophobicContact CG-CH2 4.15Å; F216-W319 HydrophobicContact CG-CZ3 4.34Å; A278-W319 HydrophobicContact CB-CB 4.29Å; A278-W319 HydrophobicContact CB-CG 4.02Å; Q316-W319 PolarHBondContact O-NE1 3.4Å; E317-W319 PolarHBondContact O-N 2.98Å; E317-W319 VanDerWaalsContact O-N 3.1Å; W319-T323 WeakPolarHBondContact O-CB 3.33Å; W319-T323 PolarHBondContact O-N 2.96Å; W319-T323 PolarHBondContact O-OG1 3.34Å
320	R	89.7	Confident	78.1	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-66.9	-46.4	174.6	-68.4	-173.7	-175.8	101.6	5.2	111.2	F216 F257 E317 I318 T323 L324	F216-R320 HydrophobicContact CE1-CB 3.99Å; F216-R320 HydrophobicContact CE1-CG 4.21Å; F216-R320 HydrophobicContact CE2-CB 4.34Å; F216-R320 HydrophobicContact CE2-CG 4.27Å; F216-R320 HydrophobicContact CZ-CB 3.63Å; F216-R320 HydrophobicContact CZ-CG 3.94Å; F257-R320 HydrophobicContact CD1-CB 4.08Å; F257-R320 HydrophobicContact CE1-CB 3.98Å; E317-R320 WeakPolarHBondContact O-CB 3.37Å; E317-R320 PolarHBondContact O-N 3.32Å; E317-R320 IonicContact OE1-NH1 3.59Å; E317-R320 PolarHBondContact OE1-NH1 3.04Å; I318-R320 PolarHBondContact O-N 3.44Å; I318-R320 VanDerWaalsContact O-N 3.09Å; R320-T323 PolarHBondContact O-N 3.4Å; R320-L324 WeakPolarHBondContact O-CB 3.16Å; R320-L324 PolarHBondContact O-N 2.7Å
321	S	91.8	Very high	80.5	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-42.7	175.6	-53.7	0	0	0	0	112.1	F257 V264 I318 L325	F257-S321 WeakPolarHBondContact O-CB 3.35Å; F257-S321 PolarHBondContact O-OG 3.18Å; V264-S321 WeakPolarHBondContact CG1-OG 3.48Å; I318-S321 WeakPolarHBondContact O-CB 3.5Å; I318-S321 PolarHBondContact O-N 3.21Å; S321-L325 WeakPolarHBondContact O-CB 3.35Å; S321-L325 PolarHBondContact O-N 3.16Å; S321-L325 VanDerWaalsContact O-N 3.11Å
322	E	90.6	Very high	82.7	Confident	18 Å²	18	16.7 Å²	16.7	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-44.4	173.8	-175.6	171.5	-174.6	0	0	111.2	I318 L325 Q326 F539 R546 F547	I318-E322 PolarHBondContact O-N 3Å; E322-L325 PolarHBondContact O-N 3.19Å; E322-Q326 HydrophobicContact CG-CG 4.13Å; E322-Q326 WeakPolarHBondContact O-CB 3.5Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.26Å; E322-Q326 PolarHBondContact O-N 3.36Å; E322-Q326 PolarHBondContact OE1-NE2 3.48Å; E322-F539 HydrophobicContact CB-CE2 3.85Å; E322-F539 HydrophobicContact CB-CZ 4.05Å; E322-F539 HydrophobicContact CG-CE2 4.17Å; E322-R546 IonicContact OE1-CZ 2.7Å; E322-R546 IonicContact OE1-NH1 3.21Å; E322-R546 IonicContact OE1-NH2 3.36Å; E322-R546 PolarHBondContact OE1-NH2 2.95Å; E322-F547 HydrophobicContact CG-CE1 4.3Å; E322-F547 HydrophobicContact CG-CZ 3.83Å; E322-F547 VanDerWaalsContact OE1-CZ 3.31Å; E322-F547 WeakPolarHBondContact OE1-CZ 3.49Å
323	T	91.8	Very high	84.5	Confident	12 Å²	12	13.1 Å²	13.1	7%	0.074	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-45	179.7	-65.2	0	0	0	0	112.2	L194 F216 E217 W319 R320 L325 Q326 M327	L194-T323 HydrophobicContact CD1-CG2 4.35Å; F216-T323 HydrophobicContact CD1-CG2 4.05Å; F216-T323 HydrophobicContact CE1-CG2 4.06Å; E217-T323 HydrophobicContact CG-CG2 3.68Å; W319-T323 WeakPolarHBondContact O-CB 3.33Å; W319-T323 PolarHBondContact O-N 2.96Å; W319-T323 PolarHBondContact O-OG1 3.34Å; R320-T323 PolarHBondContact O-N 3.4Å; T323-L325 VanDerWaalsContact C-N 3.35Å; T323-Q326 PolarHBondContact O-N 2.91Å; T323-M327 WeakPolarHBondContact O-CB 3.49Å; T323-M327 WeakPolarHBondContact O-CG 3.49Å; T323-M327 PolarHBondContact O-N 3.17Å
324	L	94.8	Very high	86	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.9	-46.3	175.2	177.1	153.8	0	0	0	110.9	M220 Y253 L254 F257 R320 M327 F328	M220-L324 HydrophobicContact CE-CD1 3.92Å; M220-L324 HydrophobicContact SD-CB 4.38Å; M220-L324 HydrophobicContact SD-CD1 3.88Å; M220-L324 HydrophobicContact SD-CG 4.18Å; Y253-L324 HydrophobicContact CD1-CD1 4.2Å; L254-L324 HydrophobicContact CD2-CD2 3.95Å; F257-L324 HydrophobicContact CB-CD1 4.03Å; F257-L324 HydrophobicContact CD2-CD1 3.45Å; F257-L324 VanDerWaalsContact CD2-CD1 3.45Å; F257-L324 HydrophobicContact CE2-CD1 4.22Å; F257-L324 HydrophobicContact CG-CD1 3.96Å; R320-L324 WeakPolarHBondContact O-CB 3.16Å; R320-L324 PolarHBondContact O-N 2.7Å; L324-M327 PolarHBondContact O-N 3.05Å; L324-F328 HydrophobicContact CD1-CE2 4.29Å; L324-F328 HydrophobicContact CD1-CZ 4.19Å; L324-F328 HydrophobicContact CD2-CD2 3.6Å; L324-F328 HydrophobicContact CD2-CE2 3.58Å; L324-F328 HydrophobicContact CD2-CG 4.19Å; L324-F328 HydrophobicContact CD2-CZ 4.13Å; L324-F328 HydrophobicContact CG-CD1 4.5Å; L324-F328 HydrophobicContact CG-CD2 4.21Å; L324-F328 HydrophobicContact CG-CE1 4.23Å; L324-F328 HydrophobicContact CG-CE2 3.93Å; L324-F328 HydrophobicContact CG-CZ 3.94Å; L324-F328 WeakPolarHBondContact O-CB 3.19Å; L324-F328 WeakPolarHBondContact O-CD1 3.27Å; L324-F328 WeakPolarHBondContact O-CG 3.3Å; L324-F328 PolarHBondContact O-N 2.93Å
325	L	93.7	Very high	87.1	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.2	-41.8	178.8	-82	-177.3	0	0	0	112.9	L258 S321 E322 T323 F328 V329 L507 L511 F539 V543	L258-L325 HydrophobicContact CD1-CD1 4.3Å; L258-L325 HydrophobicContact CD1-CD2 3.97Å; L258-L325 HydrophobicContact CD1-CG 4.31Å; L258-L325 HydrophobicContact CD2-CD1 3.59Å; L258-L325 HydrophobicContact CD2-CG 3.95Å; S321-L325 WeakPolarHBondContact O-CB 3.35Å; S321-L325 PolarHBondContact O-N 3.16Å; S321-L325 VanDerWaalsContact O-N 3.11Å; E322-L325 PolarHBondContact O-N 3.19Å; T323-L325 VanDerWaalsContact C-N 3.35Å; L325-F328 PolarHBondContact O-N 3.49Å; L325-V329 WeakPolarHBondContact O-CB 3.42Å; L325-V329 VanDerWaalsContact O-CG2 3.23Å; L325-V329 WeakPolarHBondContact O-CG2 3.23Å; L325-V329 PolarHBondContact O-N 2.91Å; L325-L507 HydrophobicContact CD2-CD1 3.59Å; L325-L511 HydrophobicContact CD1-CD2 3.9Å; L325-L511 HydrophobicContact CD2-CD2 3.9Å; L325-F539 HydrophobicContact CD1-CZ 4.07Å; L325-V543 HydrophobicContact CD1-CG2 3.33Å
326	Q	91.4	Very high	88	Confident	14 Å²	14	10.5 Å²	10.5	7%	0.065	5%	0.049	C	C	.	.	H	α-helix	trans	-58.6	-49.8	173.9	-73.9	-175.5	16.6	0	0	109.9	L194 E322 T323 F328 E330 F547	L194-Q326 HydrophobicContact CB-CB 4.47Å; L194-Q326 HydrophobicContact CD1-CB 4.12Å; L194-Q326 HydrophobicContact CD2-CB 4.13Å; L194-Q326 HydrophobicContact CG-CB 4.49Å; E322-Q326 HydrophobicContact CG-CG 4.13Å; E322-Q326 WeakPolarHBondContact O-CB 3.5Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.26Å; E322-Q326 PolarHBondContact O-N 3.36Å; E322-Q326 PolarHBondContact OE1-NE2 3.48Å; T323-Q326 PolarHBondContact O-N 2.91Å; Q326-F328 PolarHBondContact O-N 3.1Å; Q326-E330 WeakPolarHBondContact O-CB 3.47Å; Q326-E330 PolarHBondContact O-N 2.91Å; Q326-F547 HydrophobicContact CG-CD1 4Å; Q326-F547 HydrophobicContact CG-CE1 3.68Å
327	M	93.1	Very high	88.3	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56.9	-51.5	176.1	-77.2	-75.5	179.3	0	0	112.4	L194 L213 E217 M220 F221 T323 L324 E330 I331	L194-M327 HydrophobicContact CD1-CE 4.07Å; L194-M327 HydrophobicContact CD1-CG 4.41Å; L194-M327 HydrophobicContact CD2-CE 3.89Å; L194-M327 HydrophobicContact CD2-CG 3.96Å; L194-M327 HydrophobicContact CD2-SD 3.77Å; L194-M327 HydrophobicContact CG-CE 4.12Å; L213-M327 HydrophobicContact CD1-CE 3.93Å; L213-M327 HydrophobicContact CD2-CE 4.18Å; E217-M327 HydrophobicContact CB-CE 4.04Å; E217-M327 WeakPolarHBondContact O-CE 3.38Å; M220-M327 HydrophobicContact CB-CB 4.21Å; M220-M327 HydrophobicContact CB-CG 3.96Å; F221-M327 HydrophobicContact CB-CE 3.96Å; F221-M327 HydrophobicContact CB-SD 3.72Å; F221-M327 HydrophobicContact CD2-SD 4.07Å; F221-M327 HydrophobicContact CG-SD 4.42Å; T323-M327 WeakPolarHBondContact O-CB 3.49Å; T323-M327 WeakPolarHBondContact O-CG 3.49Å; T323-M327 PolarHBondContact O-N 3.17Å; L324-M327 PolarHBondContact O-N 3.05Å; M327-E330 PolarHBondContact O-N 2.97Å; M327-I331 VanDerWaalsContact O-CB 3.3Å; M327-I331 WeakPolarHBondContact O-CB 3.48Å; M327-I331 WeakPolarHBondContact O-CG1 3.48Å; M327-I331 PolarHBondContact O-N 2.78Å
328	F	95.4	Very high	87.6	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.1	-44.8	-177.2	-74.7	8.8	0	0	0	111.9	L223 A224 V250 L254 L324 L325 Q326 W332 L507	L223-F328 HydrophobicContact CD2-CE1 4.09Å; L223-F328 HydrophobicContact CD2-CZ 3.87Å; L223-F328 HydrophobicContact CG-CE1 4.23Å; L223-F328 HydrophobicContact CG-CZ 4.3Å; A224-F328 HydrophobicContact CB-CD1 3.85Å; A224-F328 HydrophobicContact CB-CE1 4.21Å; V250-F328 HydrophobicContact CG1-CE2 4.18Å; L254-F328 HydrophobicContact CD2-CD2 4.04Å; L254-F328 HydrophobicContact CD2-CE2 4.07Å; L254-F328 HydrophobicContact CG-CE2 4.19Å; L324-F328 HydrophobicContact CD1-CE2 4.29Å; L324-F328 HydrophobicContact CD1-CZ 4.19Å; L324-F328 HydrophobicContact CD2-CD2 3.6Å; L324-F328 HydrophobicContact CD2-CE2 3.58Å; L324-F328 HydrophobicContact CD2-CG 4.19Å; L324-F328 HydrophobicContact CD2-CZ 4.13Å; L324-F328 HydrophobicContact CG-CD1 4.5Å; L324-F328 HydrophobicContact CG-CD2 4.21Å; L324-F328 HydrophobicContact CG-CE1 4.23Å; L324-F328 HydrophobicContact CG-CE2 3.93Å; L324-F328 HydrophobicContact CG-CZ 3.94Å; L324-F328 WeakPolarHBondContact O-CB 3.19Å; L324-F328 WeakPolarHBondContact O-CD1 3.27Å; L324-F328 WeakPolarHBondContact O-CG 3.3Å; L324-F328 PolarHBondContact O-N 2.93Å; L325-F328 PolarHBondContact O-N 3.49Å; Q326-F328 PolarHBondContact O-N 3.1Å; F328-W332 HydrophobicContact CB-CD2 4.26Å; F328-W332 HydrophobicContact CB-CE3 3.84Å; F328-W332 HydrophobicContact CB-CH2 3.96Å; F328-W332 HydrophobicContact CB-CZ2 4.37Å; F328-W332 HydrophobicContact CB-CZ3 3.67Å; F328-W332 AromaticContact CD1-CH2 3.91Å; F328-W332 HydrophobicContact CD1-CH2 3.91Å; F328-W332 AromaticContact CD1-CZ2 3.92Å; F328-W332 HydrophobicContact CD1-CZ2 3.92Å; F328-W332 HydrophobicContact CD2-CE3 4.48Å; F328-W332 AromaticContact CD2-CH2 3.26Å; F328-W332 HydrophobicContact CD2-CH2 3.26Å; F328-W332 HydrophobicContact CD2-CZ2 4.11Å; F328-W332 AromaticContact CD2-CZ3 3.49Å; F328-W332 HydrophobicContact CD2-CZ3 3.49Å; F328-W332 VanDerWaalsContact CD2-CZ3 3.49Å; F328-W332 HydrophobicContact CE1-CH2 4.18Å; F328-W332 HydrophobicContact CE1-CZ2 4.17Å; F328-W332 AromaticContact CE2-CH2 3.58Å; F328-W332 HydrophobicContact CE2-CH2 3.58Å; F328-W332 HydrophobicContact CE2-CZ2 4.36Å; F328-W332 HydrophobicContact CE2-CZ3 4.22Å; F328-W332 HydrophobicContact CG-CE3 4.27Å; F328-W332 AromaticContact CG-CH2 3.43Å; F328-W332 HydrophobicContact CG-CH2 3.43Å; F328-W332 VanDerWaalsContact CG-CH2 3.43Å; F328-W332 AromaticContact CG-CZ2 3.88Å; F328-W332 HydrophobicContact CG-CZ2 3.88Å; F328-W332 AromaticContact CG-CZ3 3.66Å; F328-W332 HydrophobicContact CG-CZ3 3.66Å; F328-W332 HydrophobicContact CZ-CH2 4.03Å; F328-W332 HydrophobicContact CZ-CZ2 4.38Å; F328-W332 WeakPolarHBondContact O-CB 3.37Å; F328-W332 PolarHBondContact O-N 2.99Å; F328-L507 HydrophobicContact CB-CD2 4.47Å
329	V	92.8	Very high	86.4	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-63.9	-42.1	177.1	165.1	0	0	0	0	111.6	L325 L333 H334 L507 F547 V548 K551	L325-V329 WeakPolarHBondContact O-CB 3.42Å; L325-V329 VanDerWaalsContact O-CG2 3.23Å; L325-V329 WeakPolarHBondContact O-CG2 3.23Å; L325-V329 PolarHBondContact O-N 2.91Å; V329-L333 HydrophobicContact CG1-CD1 4.47Å; V329-L333 WeakPolarHBondContact O-CA 3.41Å; V329-L333 VanDerWaalsContact O-CB 3.29Å; V329-L333 WeakPolarHBondContact O-CB 3.36Å; V329-L333 PolarHBondContact O-N 3.28Å; V329-H334 PolarHBondContact O-N 2.9Å; V329-L507 HydrophobicContact CG2-CD2 4.36Å; V329-F547 VanDerWaalsContact CG1-O 3.25Å; V329-F547 WeakPolarHBondContact CG1-O 3.31Å; V329-F547 HydrophobicContact CG2-CB 4.33Å; V329-V548 HydrophobicContact CG2-CG2 3.63Å; V329-K551 HydrophobicContact CG1-CD 3.6Å
330	E	90.1	Very high	85	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-49.2	-177.6	-155.1	70.3	175.3	0	0	111.3	P177 V180 C192 F195 Q326 M327 H334 K551	P177-E330 HydrophobicContact CG-CG 4.26Å; P177-E330 VanDerWaalsContact CG-O 3.28Å; P177-E330 WeakPolarHBondContact CG-O 3.2Å; V180-E330 HydrophobicContact CG2-CG 4.09Å; V180-E330 WeakPolarHBondContact CG2-OE1 3.15Å; C192-E330 WeakPolarHBondContact CB-OE1 3.44Å; F195-E330 HydrophobicContact CE2-CG 3.96Å; F195-E330 HydrophobicContact CZ-CG 4.37Å; Q326-E330 WeakPolarHBondContact O-CB 3.47Å; Q326-E330 PolarHBondContact O-N 2.91Å; M327-E330 PolarHBondContact O-N 2.97Å; E330-H334 VanDerWaalsContact CD-ND1 3.26Å; E330-H334 HydrophobicContact CG-CB 4.38Å; E330-H334 VanDerWaalsContact O-CB 3.3Å; E330-H334 WeakPolarHBondContact O-CB 3.4Å; E330-H334 PolarHBondContact O-N 3.38Å; E330-H334 IonicContact OE1-CE1 3.81Å; E330-H334 IonicContact OE1-CG 3.4Å; E330-H334 IonicContact OE1-ND1 2.75Å; E330-H334 PolarHBondContact OE1-ND1 3.4Å; E330-H334 IonicContact OE2-CG 3.42Å; E330-H334 IonicContact OE2-ND1 3Å; E330-H334 PolarHBondContact OE2-ND1 2.74Å; E330-K551 IonicContact OE2-NZ 3.04Å; E330-K551 PolarHBondContact OE2-NZ 2.73Å
331	I	92.9	Very high	83.4	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-76.8	-21.9	-174.2	-58.4	-64.1	0	0	0	112.8	P177 F221 A224 I228 M327 H335	P177-I331 HydrophobicContact CG-CD1 3.92Å; F221-I331 HydrophobicContact CD2-CD1 3.89Å; F221-I331 HydrophobicContact CD2-CG1 4.38Å; F221-I331 HydrophobicContact CE2-CD1 3.54Å; F221-I331 HydrophobicContact CE2-CG1 4.46Å; A224-I331 HydrophobicContact CB-CB 3.8Å; A224-I331 HydrophobicContact CB-CG1 4.05Å; A224-I331 HydrophobicContact CB-CG2 3.8Å; I228-I331 HydrophobicContact CD1-CG2 3.7Å; I228-I331 HydrophobicContact CG1-CG2 3.98Å; M327-I331 VanDerWaalsContact O-CB 3.3Å; M327-I331 WeakPolarHBondContact O-CB 3.48Å; M327-I331 WeakPolarHBondContact O-CG1 3.48Å; M327-I331 PolarHBondContact O-N 2.78Å; I331-H335 PolarHBondContact O-CE1 3.41Å; I331-H335 PolarHBondContact O-NE2 2.77Å; I331-H335 VanDerWaalsContact O-NE2 3.08Å
332	W	94.6	Very high	81.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-104.2	-29.1	-179.9	-58.3	-18.2	0	0	0	114.4	A224 L227 V250 F328 H335 H500 V503 V504 L507	A224-W332 PolarHBondContact O-NE1 3.45Å; L227-W332 HydrophobicContact CD2-CD2 4.12Å; L227-W332 HydrophobicContact CD2-CG 4.2Å; L227-W332 HydrophobicContact CD2-CZ2 4.29Å; V250-W332 HydrophobicContact CG1-CH2 3.72Å; V250-W332 HydrophobicContact CG1-CZ3 4.39Å; V250-W332 HydrophobicContact CG2-CH2 4.24Å; V250-W332 HydrophobicContact CG2-CZ2 4.44Å; F328-W332 HydrophobicContact CB-CD2 4.26Å; F328-W332 HydrophobicContact CB-CE3 3.84Å; F328-W332 HydrophobicContact CB-CH2 3.96Å; F328-W332 HydrophobicContact CB-CZ2 4.37Å; F328-W332 HydrophobicContact CB-CZ3 3.67Å; F328-W332 AromaticContact CD1-CH2 3.91Å; F328-W332 HydrophobicContact CD1-CH2 3.91Å; F328-W332 AromaticContact CD1-CZ2 3.92Å; F328-W332 HydrophobicContact CD1-CZ2 3.92Å; F328-W332 HydrophobicContact CD2-CE3 4.48Å; F328-W332 AromaticContact CD2-CH2 3.26Å; F328-W332 HydrophobicContact CD2-CH2 3.26Å; F328-W332 HydrophobicContact CD2-CZ2 4.11Å; F328-W332 AromaticContact CD2-CZ3 3.49Å; F328-W332 HydrophobicContact CD2-CZ3 3.49Å; F328-W332 VanDerWaalsContact CD2-CZ3 3.49Å; F328-W332 HydrophobicContact CE1-CH2 4.18Å; F328-W332 HydrophobicContact CE1-CZ2 4.17Å; F328-W332 AromaticContact CE2-CH2 3.58Å; F328-W332 HydrophobicContact CE2-CH2 3.58Å; F328-W332 HydrophobicContact CE2-CZ2 4.36Å; F328-W332 HydrophobicContact CE2-CZ3 4.22Å; F328-W332 HydrophobicContact CG-CE3 4.27Å; F328-W332 AromaticContact CG-CH2 3.43Å; F328-W332 HydrophobicContact CG-CH2 3.43Å; F328-W332 VanDerWaalsContact CG-CH2 3.43Å; F328-W332 AromaticContact CG-CZ2 3.88Å; F328-W332 HydrophobicContact CG-CZ2 3.88Å; F328-W332 AromaticContact CG-CZ3 3.66Å; F328-W332 HydrophobicContact CG-CZ3 3.66Å; F328-W332 HydrophobicContact CZ-CH2 4.03Å; F328-W332 HydrophobicContact CZ-CZ2 4.38Å; F328-W332 WeakPolarHBondContact O-CB 3.37Å; F328-W332 PolarHBondContact O-N 2.99Å; W332-H335 PolarHBondContact O-CD2 3.4Å; W332-H335 PolarHBondContact O-NE2 2.99Å; W332-H500 VanDerWaalsContact CA-NE2 3.34Å; W332-H500 WeakPolarHBondContact CA-NE2 3.18Å; W332-H500 VanDerWaalsContact CB-NE2 3.27Å; W332-H500 WeakPolarHBondContact CB-NE2 3.36Å; W332-H500 AromaticContact CD1-NE2 3.99Å; W332-H500 AromaticContact CG-NE2 3.77Å; W332-H500 PolarHBondContact O-CE1 2.83Å; W332-H500 PolarHBondContact O-NE2 3.33Å; W332-H500 VanDerWaalsContact O-NE2 3.1Å; W332-V503 HydrophobicContact CE3-CG1 4.16Å; W332-V503 HydrophobicContact CH2-CG1 3.61Å; W332-V503 HydrophobicContact CZ2-CG1 3.98Å; W332-V503 HydrophobicContact CZ3-CG1 3.7Å; W332-V504 HydrophobicContact CB-CG2 4.15Å; W332-L507 HydrophobicContact CE3-CD2 3.9Å; W332-L507 HydrophobicContact CZ3-CB 4.21Å; W332-L507 HydrophobicContact CZ3-CD2 4.07Å
333	L	91.6	Very high	79.8	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-115.4	-28.4	-173	-53.3	175.9	0	0	0	113.8	V329 H335 V504 V548 K551 L552 F555	V329-L333 HydrophobicContact CG1-CD1 4.47Å; V329-L333 WeakPolarHBondContact O-CA 3.41Å; V329-L333 VanDerWaalsContact O-CB 3.29Å; V329-L333 WeakPolarHBondContact O-CB 3.36Å; V329-L333 PolarHBondContact O-N 3.28Å; L333-H335 PolarHBondContact O-N 3.33Å; L333-V504 HydrophobicContact CD2-CB 4.49Å; L333-V504 HydrophobicContact CD2-CG1 3.79Å; L333-V504 HydrophobicContact CD2-CG2 3.8Å; L333-V548 HydrophobicContact CD1-CG1 4.44Å; L333-K551 HydrophobicContact CB-CB 3.73Å; L333-K551 HydrophobicContact CD1-CB 4.39Å; L333-L552 HydrophobicContact CD1-CB 4.17Å; L333-L552 HydrophobicContact CD1-CD1 4.49Å; L333-L552 HydrophobicContact CD2-CD1 4.07Å; L333-F555 HydrophobicContact CD2-CB 3.97Å; L333-F555 HydrophobicContact CD2-CD1 4.07Å; L333-F555 HydrophobicContact CD2-CD2 3.89Å; L333-F555 HydrophobicContact CD2-CE2 4.38Å; L333-F555 HydrophobicContact CD2-CG 3.72Å
334	H	87	Confident	77.5	Confident	31 Å²	31	36.2 Å²	36.2	14%	0.144	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	46.2	-171.2	-158.7	-167	0	0	0	113.8	P177 P179 V329 E330 K551	P177-H334 VanDerWaalsContact CB-O 3.25Å; P177-H334 WeakPolarHBondContact CB-O 3.26Å; P179-H334 WeakPolarHBondContact CD-O 3.29Å; P179-H334 WeakPolarHBondContact CG-O 3.27Å; V329-H334 PolarHBondContact O-N 2.9Å; E330-H334 VanDerWaalsContact CD-ND1 3.26Å; E330-H334 HydrophobicContact CG-CB 4.38Å; E330-H334 VanDerWaalsContact O-CB 3.3Å; E330-H334 WeakPolarHBondContact O-CB 3.4Å; E330-H334 PolarHBondContact O-N 3.38Å; E330-H334 IonicContact OE1-CE1 3.81Å; E330-H334 IonicContact OE1-CG 3.4Å; E330-H334 IonicContact OE1-ND1 2.75Å; E330-H334 PolarHBondContact OE1-ND1 3.4Å; E330-H334 IonicContact OE2-CG 3.42Å; E330-H334 IonicContact OE2-ND1 3Å; E330-H334 PolarHBondContact OE2-ND1 2.74Å; H334-K551 HydrophobicContact CB-CD 4.11Å
335	H	82.7	Confident	75.1	Confident	23 Å²	23	41.7 Å²	41.7	11%	0.106	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.5	179.6	-58.7	-72	0	0	0	114.6	I331 W332 L333 F494 H500	I331-H335 PolarHBondContact O-CE1 3.41Å; I331-H335 PolarHBondContact O-NE2 2.77Å; I331-H335 VanDerWaalsContact O-NE2 3.08Å; W332-H335 PolarHBondContact O-CD2 3.4Å; W332-H335 PolarHBondContact O-NE2 2.99Å; L333-H335 PolarHBondContact O-N 3.33Å; H335-F494 HydrophobicContact CB-CB 3.82Å; H335-F494 HydrophobicContact CB-CD1 3.77Å; H335-F494 HydrophobicContact CB-CG 3.86Å; H335-F494 AromaticContact CD2-CD1 3.4Å; H335-F494 VanDerWaalsContact CD2-CD1 3.4Å; H335-F494 WeakPolarHBondContact CD2-CD1 3.44Å; H335-F494 AromaticContact CD2-CE1 3.3Å; H335-F494 WeakPolarHBondContact CD2-CE1 3.21Å; H335-F494 AromaticContact CD2-CZ 3.84Å; H335-F494 AromaticContact CE1-CD2 3.98Å; H335-F494 AromaticContact CE1-CE1 3.94Å; H335-F494 AromaticContact CE1-CE2 3.7Å; H335-F494 AromaticContact CE1-CZ 3.67Å; H335-F494 AromaticContact CG-CD1 3.42Å; H335-F494 VanDerWaalsContact CG-CD1 3.42Å; H335-F494 AromaticContact CG-CE1 3.79Å; H335-F494 AromaticContact CG-CG 3.6Å; H335-F494 AromaticContact ND1-CD1 3.94Å; H335-F494 AromaticContact ND1-CD2 3.77Å; H335-F494 AromaticContact ND1-CE2 3.99Å; H335-F494 AromaticContact ND1-CG 3.74Å; H335-F494 AromaticContact NE2-CD1 3.9Å; H335-F494 AromaticContact NE2-CE1 3.41Å; H335-F494 WeakPolarHBondContact NE2-CE1 3.04Å; H335-F494 AromaticContact NE2-CE2 3.96Å; H335-F494 AromaticContact NE2-CZ 3.43Å; H335-F494 WeakPolarHBondContact NE2-CZ 3.47Å; H335-H500 AromaticContact NE2-CE1 3.9Å
336	Y	76.5	Confident	71.9	Confident	13 Å²	13	43.7 Å²	43.7	5%	0.051	22%	0.219	C	C	.	.			trans	-122.8	120.3	-171.2	-47.6	-71.2	0	0	0	110.8	L340 F494 P496 F555 H558	Y336-L340 HydrophobicContact CD1-CD2 4.28Å; Y336-F494 HydrophobicContact CE1-CB 4.44Å; Y336-F494 PolarHBondContact OH-O 3.26Å; Y336-P496 WeakPolarHBondContact OH-CD 3.32Å; Y336-F555 HydrophobicContact CE2-CD2 4.29Å; Y336-H558 AromaticContact CD1-ND1 4Å; Y336-H558 HydrophobicContact CD2-CB 4.32Å; Y336-H558 HydrophobicContact CE1-CB 4.19Å; Y336-H558 AromaticContact CE1-CD2 3.9Å; Y336-H558 AromaticContact CE1-CE1 3.72Å; Y336-H558 AromaticContact CE1-CG 3.55Å; Y336-H558 AromaticContact CE1-ND1 3.43Å; Y336-H558 WeakPolarHBondContact CE1-ND1 3.35Å; Y336-H558 HydrophobicContact CE2-CB 3.93Å; Y336-H558 AromaticContact CZ-CD2 3.53Å; Y336-H558 AromaticContact CZ-CG 3.43Å; Y336-H558 VanDerWaalsContact CZ-CG 3.43Å; Y336-H558 AromaticContact CZ-ND1 3.83Å; Y336-H558 PolarHBondContact OH-CD2 3.42Å; Y336-H558 PolarHBondContact OH-NE2 3.14Å
337	S	67.1	Low	69	Low	40 Å²	40	48.1 Å²	48.1	28%	0.28	25%	0.249	S	C	.	.			trans	-80.9	159.1	175	68.6	0	0	0	0	112.1	D339 L340 Y341	S337-D339 VanDerWaalsContact C-N 3.27Å; S337-D339 PolarHBondContact O-N 3.28Å; S337-L340 PolarHBondContact O-N 3.15Å; S337-L340 WeakPolarHBondContact OG-CB 3.39Å; S337-L340 PolarHBondContact OG-N 2.75Å; S337-Y341 PolarHBondContact O-N 2.97Å
338	L	59.8	Low	66.1	Low	95 Å²	95	55.2 Å²	55.2	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-34.8	177.3	-168.5	65.1	0	0	0	111.8	Y341 Q342	L338-Y341 HydrophobicContact CD1-CD1 4.48Å; L338-Y341 WeakPolarHBondContact O-CB 3.37Å; L338-Y341 PolarHBondContact O-N 3.31Å; L338-Q342 WeakPolarHBondContact O-CG 3.15Å; L338-Q342 PolarHBondContact O-N 2.74Å
339	D	60.2	Low	63.1	Low	89 Å²	89	61.5 Å²	61.5	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-71.2	-38.1	176.8	-54.1	-73.6	0	0	0	113	S337 Y341 Q342 K343	S337-D339 VanDerWaalsContact C-N 3.27Å; S337-D339 PolarHBondContact O-N 3.28Å; D339-Y341 VanDerWaalsContact C-N 3.28Å; D339-Q342 PolarHBondContact O-N 2.59Å; D339-K343 WeakPolarHBondContact O-CB 3.37Å; D339-K343 VanDerWaalsContact O-CD 3.26Å; D339-K343 WeakPolarHBondContact O-CD 3.43Å; D339-K343 WeakPolarHBondContact O-CG 3.44Å; D339-K343 PolarHBondContact O-N 2.8Å
340	L	58.4	Low	60.2	Low	65 Å²	65	70.1 Å²	70.1	34%	0.34	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-43	172.2	177.1	61.4	0	0	0	109.8	Y336 S337 K343 L344	Y336-L340 HydrophobicContact CD1-CD2 4.28Å; S337-L340 PolarHBondContact O-N 3.15Å; S337-L340 WeakPolarHBondContact OG-CB 3.39Å; S337-L340 PolarHBondContact OG-N 2.75Å; L340-K343 PolarHBondContact O-N 2.71Å; L340-L344 HydrophobicContact CD1-CD1 4.28Å; L340-L344 HydrophobicContact CD1-CG 4.38Å; L340-L344 HydrophobicContact CG-CD1 4.06Å; L340-L344 WeakPolarHBondContact O-CB 3.31Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.72Å
341	Y	54.8	Low	57.3	Low	40 Å²	40	73 Å²	73	16%	0.157	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-47.9	175.1	177.3	-89.1	0	0	0	112.5	S337 L338 D339 K343 L344 Q345 L554 Q557	S337-Y341 PolarHBondContact O-N 2.97Å; L338-Y341 HydrophobicContact CD1-CD1 4.48Å; L338-Y341 WeakPolarHBondContact O-CB 3.37Å; L338-Y341 PolarHBondContact O-N 3.31Å; D339-Y341 VanDerWaalsContact C-N 3.28Å; Y341-K343 VanDerWaalsContact C-N 3.32Å; Y341-K343 PolarHBondContact O-N 3.25Å; Y341-L344 PolarHBondContact O-N 3.03Å; Y341-Q345 HydrophobicContact CD1-CG 4.38Å; Y341-Q345 VanDerWaalsContact CE1-CD 3.46Å; Y341-Q345 HydrophobicContact CE1-CG 3.97Å; Y341-Q345 WeakPolarHBondContact O-CG 3.39Å; Y341-Q345 PolarHBondContact O-N 2.75Å; Y341-Q345 PolarHBondContact OH-NE2 3.25Å; Y341-Q345 VanDerWaalsContact OH-NE2 3.15Å; Y341-L554 HydrophobicContact CD2-CD2 3.48Å; Y341-L554 VanDerWaalsContact CD2-CD2 3.48Å; Y341-L554 HydrophobicContact CE2-CD2 3.84Å; Y341-L554 HydrophobicContact CG-CD2 3.86Å; Y341-Q557 VanDerWaalsContact CE2-CD 3.5Å; Y341-Q557 HydrophobicContact CE2-CG 4.46Å; Y341-Q557 VanDerWaalsContact CE2-NE2 3.31Å; Y341-Q557 PolarHBondContact OH-NE2 3.07Å; Y341-Q557 VanDerWaalsContact OH-NE2 3.11Å; Y341-Q557 PolarHBondContact OH-OE1 3.29Å
342	Q	56.2	Low	54.1	Low	108 Å²	108	83 Å²	83	51%	0.505	43%	0.425	S	S	.	.	H	α-helix	trans	-59.8	-40.9	175.1	-72.6	177	29.6	0	0	111.9	L338 D339 Q345 S346	L338-Q342 WeakPolarHBondContact O-CG 3.15Å; L338-Q342 PolarHBondContact O-N 2.74Å; D339-Q342 PolarHBondContact O-N 2.59Å; Q342-Q345 PolarHBondContact O-N 2.93Å; Q342-S346 PolarHBondContact O-N 3.29Å
343	K	51.2	Low	50.8	Low	140 Å²	140	94.8 Å²	94.8	61%	0.609	47%	0.47	S	S	*	.	H	α-helix	trans	-65.3	-39.9	176	-71.2	160.3	-169.5	164.5	0	111.8	D339 L340 Y341 S346	D339-K343 WeakPolarHBondContact O-CB 3.37Å; D339-K343 VanDerWaalsContact O-CD 3.26Å; D339-K343 WeakPolarHBondContact O-CD 3.43Å; D339-K343 WeakPolarHBondContact O-CG 3.44Å; D339-K343 PolarHBondContact O-N 2.8Å; L340-K343 PolarHBondContact O-N 2.71Å; Y341-K343 VanDerWaalsContact C-N 3.32Å; Y341-K343 PolarHBondContact O-N 3.25Å; K343-S346 WeakPolarHBondContact O-CB 3.22Å; K343-S346 PolarHBondContact O-N 3.07Å; K343-S346 PolarHBondContact O-OG 2.86Å
344	L	44	Very low	47.6	Very low	98 Å²	98	104.7 Å²	104.7	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-67.9	-30.6	173.6	-72.9	168.3	0	0	0	113.2	L340 Y341	L340-L344 HydrophobicContact CD1-CD1 4.28Å; L340-L344 HydrophobicContact CD1-CG 4.38Å; L340-L344 HydrophobicContact CG-CD1 4.06Å; L340-L344 WeakPolarHBondContact O-CB 3.31Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.72Å; Y341-L344 PolarHBondContact O-N 3.03Å
345	Q	43.7	Very low	44.7	Very low	114 Å²	114	109.4 Å²	109.4	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-79.8	-19.5	171.7	-68.1	-154.1	-55.9	0	0	113.4	Y341 Q342 P347	Y341-Q345 HydrophobicContact CD1-CG 4.38Å; Y341-Q345 VanDerWaalsContact CE1-CD 3.46Å; Y341-Q345 HydrophobicContact CE1-CG 3.97Å; Y341-Q345 WeakPolarHBondContact O-CG 3.39Å; Y341-Q345 PolarHBondContact O-N 2.75Å; Y341-Q345 PolarHBondContact OH-NE2 3.25Å; Y341-Q345 VanDerWaalsContact OH-NE2 3.15Å; Q342-Q345 PolarHBondContact O-N 2.93Å; Q345-P347 VanDerWaalsContact O-CD 3.26Å; Q345-P347 WeakPolarHBondContact O-CD 3.22Å
346	S	26.5	Very low	41.9	Very low	42 Å²	42	113.3 Å²	113.3	29%	0.294	57%	0.573	S	S	.	*	S	Bend	trans	-66.3	118	-179.5	76.9	0	0	0	0	111	Q342 K343 Q348	Q342-S346 PolarHBondContact O-N 3.29Å; K343-S346 WeakPolarHBondContact O-CB 3.22Å; K343-S346 PolarHBondContact O-N 3.07Å; K343-S346 PolarHBondContact O-OG 2.86Å; S346-Q348 PolarHBondContact O-N 3.09Å; S346-Q348 PolarHBondContact OG-NE2 3.29Å
347	P	31.6	Very low	39.4	Very low	107 Å²	107	117.7 Å²	117.7	70%	0.695	61%	0.612	S	S	*	*			trans	-68.1	107.9	167.2	28.4	-31.2	0	0	0	106.9	Q345 V349	Q345-P347 VanDerWaalsContact O-CD 3.26Å; Q345-P347 WeakPolarHBondContact O-CD 3.22Å; P347-V349 VanDerWaalsContact C-N 3.26Å; P347-V349 PolarHBondContact O-N 3.21Å
348	Q	31.8	Very low	37.2	Very low	150 Å²	150	119.2 Å²	119.2	70%	0.701	63%	0.634	S	S	*	*			trans	-66.4	83.4	-178.1	-76.7	-71.4	-52.5	0	0	110.9	S346 K350	S346-Q348 PolarHBondContact O-N 3.09Å; S346-Q348 PolarHBondContact OG-NE2 3.29Å; Q348-K350 PolarHBondContact O-N 3.35Å
349	V	32.3	Very low	35.7	Very low	131 Å²	131	121 Å²	121	79%	0.794	65%	0.652	S	S	*	*			trans	-69.5	76.2	169.9	-176.4	0	0	0	0	107.9	P347 G351	P347-V349 VanDerWaalsContact C-N 3.26Å; P347-V349 PolarHBondContact O-N 3.21Å; V349-G351 PolarHBondContact O-N 2.68Å
350	K	31.7	Very low	34.1	Very low	184 Å²	184	126.1 Å²	126.1	80%	0.8	67%	0.673	S	S	*	*			trans	-76.4	43	175	-151.6	167.3	-169.6	169.4	0	111	Q348 R352	Q348-K350 PolarHBondContact O-N 3.35Å; K350-R352 PolarHBondContact O-N 2.98Å
351	G	28.6	Very low	32.5	Very low	61 Å²	61	128.1 Å²	128.1	63%	0.629	70%	0.698	S	S	*	*			trans	-71.3	58.1	177.5	0	0	0	0	0	111.7	V349 R353	V349-G351 PolarHBondContact O-N 2.68Å; G351-R353 VanDerWaalsContact C-N 3.3Å; G351-R353 PolarHBondContact O-N 3.42Å
352	R	25.3	Very low	30.9	Very low	209 Å²	209	129.5 Å²	129.5	79%	0.789	73%	0.725	S	S	*	*			trans	-72.3	87.1	178.6	-161.4	178.4	-160.4	-175.6	7	108.6	K350 R354	K350-R352 PolarHBondContact O-N 2.98Å; R352-R354 PolarHBondContact O-N 3.32Å
353	R	25.4	Very low	29.4	Very low	248 Å²	248	132 Å²	132	94%	0.936	74%	0.74	S	S	*	*			trans	-46.2	108.4	170.6	-77.6	-176.2	172.7	-175.7	-1.8	109.2	G351	G351-R353 VanDerWaalsContact C-N 3.3Å; G351-R353 PolarHBondContact O-N 3.42Å
354	R	25.6	Very low	28.1	Very low	210 Å²	210	135.6 Å²	135.6	79%	0.792	75%	0.75	S	S	*	*			trans	-106.6	106.1	162.3	-87.8	-173	163.3	178.1	-5.8	107.5	R352	R352-R354 PolarHBondContact O-N 3.32Å
355	S	25	Very low	27.1	Very low	131 Å²	131	139.3 Å²	139.3	92%	0.916	77%	0.769	S	S	*	*			trans	-89.1	114.3	163.8	-172.1	0	0	0	0	108
356	S	23.9	Very low	26.2	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	78%	0.777	S	S	*	*			trans	-167.6	131.2	170.6	52.5	0	0	0	0	107.7
357	A	24.3	Very low	26.1	Very low	104 Å²	104	140.9 Å²	140.9	86%	0.86	80%	0.799	S	S	*	*			trans	-98.7	135.3	-161.7	0	0	0	0	0	115.1
358	G	21.2	Very low	25.8	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	80%	0.8	S	S	*	*			trans	68.5	-179	155.2	0	0	0	0	0	118.2
359	P	28.9	Very low	25.4	Very low	134 Å²	134	141.4 Å²	141.4	87%	0.87	81%	0.809	S	S	*	*			cis	-106	-169.4	-8.1	40.2	-31.3	0	0	0	112.8
360	Q	25.1	Very low	25.1	Very low	196 Å²	196	146.1 Å²	146.1	92%	0.916	81%	0.812	S	S	*	*			trans	-76.4	140.9	-177.7	-62.6	168.3	-12.1	0	0	113.2
361	A	25.2	Very low	24.8	Very low	106 Å²	106	144.3 Å²	144.3	88%	0.876	82%	0.817	S	S	*	*			trans	-149.9	132.4	150.5	0	0	0	0	0	108
362	G	22.1	Very low	24.7	Very low	70 Å²	70	144.8 Å²	144.8	72%	0.722	82%	0.822	S	S	*	*			trans	-134.8	164.6	174.4	0	0	0	0	0	110.6
363	I	23.8	Very low	25.2	Very low	159 Å²	159	140.3 Å²	140.3	82%	0.815	82%	0.82	S	S	*	*			trans	-169.6	127.7	151.5	-102.9	150.6	0	0	0	110.9
364	R	24.2	Very low	25.2	Very low	217 Å²	217	135.2 Å²	135.2	82%	0.819	81%	0.811	S	S	*	*			trans	39.9	118.8	152	-60.4	178.7	175.6	162.5	-0.8	120.6	V366	R364-V366 HydrophobicContact CB-CG2 4.36Å
365	L	23	Very low	25.4	Very low	175 Å²	175	137.1 Å²	137.1	92%	0.916	82%	0.819	S	S	*	*			trans	-55.4	138.2	135.5	-94.9	68.3	0	0	0	109.9
366	V	25.6	Very low	25.3	Very low	115 Å²	115	134.8 Å²	134.8	70%	0.697	82%	0.815	S	S	*	*			trans	-132.9	107.1	154.6	179	0	0	0	0	107.4	R364	R364-V366 HydrophobicContact CB-CG2 4.36Å
367	G	23.8	Very low	25.5	Very low	74 Å²	74	135 Å²	135	76%	0.763	82%	0.824	S	S	*	*			trans	-83.1	142.7	167.4	0	0	0	0	0	110.1
368	L	25.5	Very low	25.6	Very low	138 Å²	138	135 Å²	135	72%	0.723	82%	0.824	S	S	*	*			trans	-141.2	84.5	174.2	-113	168.5	0	0	0	110.6	R370	L368-R370 HydrophobicContact CD2-CG 4.28Å
369	C	22.7	Very low	25.8	Very low	130 Å²	130	137.1 Å²	137.1	88%	0.878	83%	0.826	S	S	*	*			trans	-66	131.4	158	-64.1	0	0	0	0	108.4
370	R	25.9	Very low	25.6	Very low	230 Å²	230	141.9 Å²	141.9	87%	0.868	83%	0.826	S	S	*	*			trans	-131.2	110.3	161.6	-91.9	-170.9	168.3	-176.2	-4	110.4	L368	L368-R370 HydrophobicContact CD2-CG 4.28Å
371	T	26	Very low	25.7	Very low	147 Å²	147	139.5 Å²	139.5	90%	0.902	83%	0.825	S	S	*	*			trans	-76.6	151.6	163.1	42.9	0	0	0	0	110
372	G	26.2	Very low	25.7	Very low	71 Å²	71	138.1 Å²	138.1	73%	0.732	82%	0.821	S	S	*	*			trans	-178.7	114	177.8	0	0	0	0	0	110.2
373	P	35.8	Very low	26	Very low	114 Å²	114	140.3 Å²	140.3	74%	0.74	83%	0.832	S	S	*	*			trans	-99.9	-165.9	-170.8	40	-37	0	0	0	113.7
374	D	25.9	Very low	26	Very low	142 Å²	142	136.4 Å²	136.4	76%	0.759	83%	0.831	S	S	*	*			trans	75.4	106.8	163.8	-55.6	-23	0	0	0	119.1
375	R	28.7	Very low	26.4	Very low	250 Å²	250	132.6 Å²	132.6	94%	0.943	84%	0.838	S	S	*	*				-170.2	141.5	93.9	-94.1	163.2	-166.3	-142.3	0.7	111.6
376	G	24.5	Very low	26.6	Very low	82 Å²	82	127.1 Å²	127.1	85%	0.845	82%	0.824	S	S	*	*			trans	-101.8	147.8	172.5	0	0	0	0	0	112.4
377	A	27.9	Very low	27.3	Very low	110 Å²	110	133.8 Å²	133.8	91%	0.909	84%	0.836	S	S	*	*			trans	-149.3	135.9	163.9	0	0	0	0	0	108.8
378	A	25.3	Very low	27.7	Very low	104 Å²	104	136 Å²	136	86%	0.86	84%	0.836	S	S	*	*			trans	-98.6	145.4	-175.9	0	0	0	0	0	111.8
379	C	25	Very low	28	Very low	116 Å²	116	132.8 Å²	132.8	78%	0.784	84%	0.835	S	S	*	*			trans	-147.1	106.3	162.7	-121.8	0	0	0	0	113.6
380	R	25.8	Very low	28.4	Very low	233 Å²	233	131.2 Å²	131.2	88%	0.879	83%	0.826	S	S	*	*			trans	50	119.5	142.9	-57.7	-176.2	-174	-162.4	-0.3	119.9
381	T	26.7	Very low	28.6	Very low	147 Å²	147	122.5 Å²	122.5	90%	0.902	81%	0.808	S	S	*	*			trans	-46.8	135.3	155.7	48.5	0	0	0	0	113.7
382	G	25.1	Very low	28.7	Very low	77 Å²	77	121.4 Å²	121.4	79%	0.794	80%	0.796	S	S	*	*			trans	-132.2	116.5	158.6	0	0	0	0	0	109.3
383	A	28.1	Very low	28.8	Very low	115 Å²	115	126.1 Å²	126.1	95%	0.95	80%	0.796	S	S	*	*			trans	-84.8	121.6	-177.8	0	0	0	0	0	110.9
384	G	24.8	Very low	28.5	Very low	77 Å²	77	125 Å²	125	79%	0.794	79%	0.79	S	S	*	*			trans	-130.5	103.1	177	0	0	0	0	0	111.2	G386	G384-G386 PolarHBondContact O-N 3.22Å
385	S	32.3	Very low	28.7	Very low	137 Å²	137	123 Å²	123	96%	0.958	78%	0.775	S	S	*	*			trans	-76.9	117.8	176.1	-176.2	0	0	0	0	110.5
386	G	27	Very low	28.6	Very low	60 Å²	60	116.5 Å²	116.5	62%	0.619	75%	0.754	S	S	*	*			trans	-150.8	120.1	179.2	0	0	0	0	0	112.1	G384 T388	G384-G386 PolarHBondContact O-N 3.22Å; G386-T388 PolarHBondContact O-N 2.92Å
387	R	40.1	Very low	29	Very low	255 Å²	255	115.1 Å²	115.1	96%	0.962	73%	0.731	S	S	*	*			trans	-73.9	114.4	-176.6	-69.2	173.5	171.5	167.7	-4.5	111.9
388	T	33.1	Very low	29.3	Very low	122 Å²	122	113.5 Å²	113.5	75%	0.748	70%	0.704	S	S	*	*			trans	-132.9	22	173.2	49.7	0	0	0	0	114.5	G386 S390	G386-T388 PolarHBondContact O-N 2.92Å; T388-S390 VanDerWaalsContact C-N 3.26Å; T388-S390 PolarHBondContact O-N 3.44Å; T388-S390 VanDerWaalsContact O-N 3.13Å
389	G	31.1	Very low	29.9	Very low	69 Å²	69	109.8 Å²	109.8	71%	0.711	67%	0.669	S	S	*	*	H	α-helix	trans	-67.3	-9.4	-175	0	0	0	0	0	117.3
390	S	31.2	Very low	30.5	Very low	98 Å²	98	113.2 Å²	113.2	69%	0.685	67%	0.666	S	S	*	*	H	α-helix	trans	-92.9	-23.9	-174.8	49.1	0	0	0	0	114.9	T388	T388-S390 VanDerWaalsContact C-N 3.26Å; T388-S390 PolarHBondContact O-N 3.44Å; T388-S390 VanDerWaalsContact O-N 3.13Å
391	G	29.5	Very low	31.1	Very low	47 Å²	47	110.9 Å²	110.9	49%	0.485	66%	0.657	S	S	.	*	H	α-helix	trans	-72	-51.9	-176.3	0	0	0	0	0	113.3	F393 C394 F395	G391-F393 PolarHBondContact O-N 3.16Å; G391-C394 PolarHBondContact O-N 3.5Å; G391-F395 PolarHBondContact O-N 3.02Å; G391-F395 VanDerWaalsContact O-N 3.14Å
392	L	29.9	Very low	31.8	Very low	124 Å²	124	105.8 Å²	105.8	65%	0.649	62%	0.624	S	S	*	*	H	α-helix	trans	-62.1	-41.5	-176.2	-116.2	71.1	0	0	0	112.6	C394 F395 F396	L392-C394 VanDerWaalsContact C-N 3.35Å; L392-C394 PolarHBondContact O-N 3.12Å; L392-F395 WeakPolarHBondContact O-CB 3.48Å; L392-F395 PolarHBondContact O-N 3.17Å; L392-F395 VanDerWaalsContact O-N 3.09Å; L392-F396 HydrophobicContact CD2-CE2 4.32Å; L392-F396 HydrophobicContact CG-CE2 4.32Å; L392-F396 WeakPolarHBondContact O-CD2 3.42Å; L392-F396 PolarHBondContact O-N 3.09Å
393	F	26.9	Very low	32.5	Very low	170 Å²	170	104.3 Å²	104.3	75%	0.746	60%	0.6	S	S	*	*	H	α-helix	trans	-65.5	-37.6	-178.4	-120.9	-87.8	0	0	0	112.4	G391 S397	G391-F393 PolarHBondContact O-N 3.16Å; F393-S397 VanDerWaalsContact O-CB 3.24Å; F393-S397 WeakPolarHBondContact O-CB 3.49Å; F393-S397 PolarHBondContact O-N 3.16Å
394	C	30.8	Very low	33	Very low	91 Å²	91	103.6 Å²	103.6	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-62.1	-43.6	169.7	-80.8	0	0	0	0	111.6	G391 L392 S397 F398	G391-C394 PolarHBondContact O-N 3.5Å; L392-C394 VanDerWaalsContact C-N 3.35Å; L392-C394 PolarHBondContact O-N 3.12Å; C394-S397 PolarHBondContact O-N 3.42Å; C394-F398 WeakPolarHBondContact O-CB 3.43Å; C394-F398 PolarHBondContact O-N 2.92Å
395	F	28.8	Very low	33.8	Very low	98 Å²	98	104.1 Å²	104.1	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-64.1	-44.7	-179.2	-150.7	-106.4	0	0	0	112.6	G391 L392 F398 N399 M428	G391-F395 PolarHBondContact O-N 3.02Å; G391-F395 VanDerWaalsContact O-N 3.14Å; L392-F395 WeakPolarHBondContact O-CB 3.48Å; L392-F395 PolarHBondContact O-N 3.17Å; L392-F395 VanDerWaalsContact O-N 3.09Å; F395-F398 PolarHBondContact O-N 2.73Å; F395-N399 PolarHBondContact O-N 2.93Å; F395-N399 PolarHBondContact O-ND2 2.9Å; F395-M428 HydrophobicContact CE1-CE 3.59Å; F395-M428 HydrophobicContact CZ-CE 4.01Å
396	F	27.9	Very low	34	Very low	114 Å²	114	99.3 Å²	99.3	50%	0.5	52%	0.523	S	S	.	.	H	α-helix	trans	-67.7	-38.5	174.9	-82.8	-75.7	0	0	0	113.1	L392 N399 R400 F429	L392-F396 HydrophobicContact CD2-CE2 4.32Å; L392-F396 HydrophobicContact CG-CE2 4.32Å; L392-F396 WeakPolarHBondContact O-CD2 3.42Å; L392-F396 PolarHBondContact O-N 3.09Å; F396-N399 PolarHBondContact O-N 3.12Å; F396-R400 WeakPolarHBondContact O-CB 3.37Å; F396-R400 PolarHBondContact O-N 3.1Å; F396-F429 HydrophobicContact CE1-CZ 4.31Å
397	S	32.4	Very low	34.4	Very low	54 Å²	54	102.7 Å²	102.7	38%	0.378	52%	0.523	S	S	.	.	H	α-helix	trans	-67.7	-37.9	176.2	-166.1	0	0	0	0	112.2	F393 C394 R401	F393-S397 VanDerWaalsContact O-CB 3.24Å; F393-S397 WeakPolarHBondContact O-CB 3.49Å; F393-S397 PolarHBondContact O-N 3.16Å; C394-S397 PolarHBondContact O-N 3.42Å; S397-R401 WeakPolarHBondContact O-CB 3.35Å; S397-R401 VanDerWaalsContact O-CG 3.31Å; S397-R401 WeakPolarHBondContact O-CG 3.26Å; S397-R401 PolarHBondContact O-N 3.03Å
398	F	33.5	Very low	34.3	Very low	75 Å²	75	95.4 Å²	95.4	33%	0.329	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-50.9	173.4	-176.9	-103.7	0	0	0	111.2	C394 F395 R401 I402 F641	C394-F398 WeakPolarHBondContact O-CB 3.43Å; C394-F398 PolarHBondContact O-N 2.92Å; F395-F398 PolarHBondContact O-N 2.73Å; F398-R401 PolarHBondContact O-N 3.01Å; F398-I402 HydrophobicContact CD1-CD1 3.62Å; F398-I402 HydrophobicContact CD2-CD1 4.29Å; F398-I402 HydrophobicContact CE1-CD1 3.42Å; F398-I402 VanDerWaalsContact CE1-CD1 3.42Å; F398-I402 HydrophobicContact CE2-CD1 4.12Å; F398-I402 HydrophobicContact CG-CD1 4.07Å; F398-I402 HydrophobicContact CZ-CD1 3.7Å; F398-I402 WeakPolarHBondContact O-CG1 3.27Å; F398-I402 PolarHBondContact O-N 3.19Å; F398-F641 HydrophobicContact CE2-CD1 4.45Å; F398-F641 AromaticContact CE2-CD2 3.49Å; F398-F641 HydrophobicContact CE2-CD2 3.49Å; F398-F641 VanDerWaalsContact CE2-CD2 3.49Å; F398-F641 AromaticContact CE2-CE2 3.62Å; F398-F641 HydrophobicContact CE2-CE2 3.62Å; F398-F641 AromaticContact CE2-CG 3.93Å; F398-F641 HydrophobicContact CE2-CG 3.93Å; F398-F641 HydrophobicContact CE2-CZ 4.17Å; F398-F641 HydrophobicContact CZ-CB 3.84Å; F398-F641 HydrophobicContact CZ-CD1 4.4Å; F398-F641 AromaticContact CZ-CD2 3.5Å; F398-F641 HydrophobicContact CZ-CD2 3.5Å; F398-F641 HydrophobicContact CZ-CE2 4.14Å; F398-F641 AromaticContact CZ-CG 3.64Å; F398-F641 HydrophobicContact CZ-CG 3.64Å
399	N	38.9	Very low	34.7	Very low	26 Å²	26	92.2 Å²	92.2	14%	0.139	49%	0.488	C	S	.	.	H	α-helix	trans	-60.4	-48.2	177.3	-73.5	-22.9	0	0	0	112.5	F395 F396 R401 I402 V403 F425	F395-N399 PolarHBondContact O-N 2.93Å; F395-N399 PolarHBondContact O-ND2 2.9Å; F396-N399 PolarHBondContact O-N 3.12Å; N399-R401 VanDerWaalsContact C-N 3.31Å; N399-R401 PolarHBondContact O-N 3.1Å; N399-I402 PolarHBondContact O-N 2.95Å; N399-V403 WeakPolarHBondContact O-CG2 3.34Å; N399-V403 PolarHBondContact O-N 3.06Å; N399-F425 HydrophobicContact CB-CE1 3.8Å; N399-F425 HydrophobicContact CB-CZ 4.28Å
400	R	37.6	Very low	35.3	Very low	189 Å²	189	92.6 Å²	92.6	71%	0.713	47%	0.471	S	S	*	.	H	α-helix	trans	-62.3	-37	178.9	-171.8	175.4	179.6	-171.9	-0.3	112.3	F396 L404	F396-R400 WeakPolarHBondContact O-CB 3.37Å; F396-R400 PolarHBondContact O-N 3.1Å; R400-L404 HydrophobicContact CG-CD1 4.11Å; R400-L404 WeakPolarHBondContact O-CG 3.28Å; R400-L404 PolarHBondContact O-N 2.92Å
401	R	38.5	Very low	35.9	Very low	184 Å²	184	94.1 Å²	94.1	69%	0.694	48%	0.482	S	S	*	.	H	α-helix	trans	-69.2	-40.9	175.1	-75	177.3	177.8	-168.6	-1.4	112.2	S397 F398 N399 F405	S397-R401 WeakPolarHBondContact O-CB 3.35Å; S397-R401 VanDerWaalsContact O-CG 3.31Å; S397-R401 WeakPolarHBondContact O-CG 3.26Å; S397-R401 PolarHBondContact O-N 3.03Å; F398-R401 PolarHBondContact O-N 3.01Å; N399-R401 VanDerWaalsContact C-N 3.31Å; N399-R401 PolarHBondContact O-N 3.1Å; R401-F405 WeakPolarHBondContact O-CB 3.34Å; R401-F405 PolarHBondContact O-N 3.21Å
402	I	39.3	Very low	36.5	Very low	39 Å²	39	97.2 Å²	97.2	20%	0.2	50%	0.496	C	S	.	.	H	α-helix	trans	-64.5	-42.2	177.8	-71.1	167.9	0	0	0	111.6	F398 N399 F405 L406 F641	F398-I402 HydrophobicContact CD1-CD1 3.62Å; F398-I402 HydrophobicContact CD2-CD1 4.29Å; F398-I402 HydrophobicContact CE1-CD1 3.42Å; F398-I402 VanDerWaalsContact CE1-CD1 3.42Å; F398-I402 HydrophobicContact CE2-CD1 4.12Å; F398-I402 HydrophobicContact CG-CD1 4.07Å; F398-I402 HydrophobicContact CZ-CD1 3.7Å; F398-I402 WeakPolarHBondContact O-CG1 3.27Å; F398-I402 PolarHBondContact O-N 3.19Å; N399-I402 PolarHBondContact O-N 2.95Å; I402-F405 PolarHBondContact O-N 2.97Å; I402-L406 HydrophobicContact CG2-CD1 3.76Å; I402-L406 HydrophobicContact CG2-CG 4.38Å; I402-L406 WeakPolarHBondContact O-CB 3.3Å; I402-L406 WeakPolarHBondContact O-CG 3.49Å; I402-L406 PolarHBondContact O-N 3.42Å; I402-F641 HydrophobicContact CD1-CD2 4.11Å
403	V	40.2	Very low	37.1	Very low	47 Å²	47	98.9 Å²	98.9	29%	0.285	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-57.1	175.9	171.6	0	0	0	0	110.9	N399 F405 L406 Q407 F425	N399-V403 WeakPolarHBondContact O-CG2 3.34Å; N399-V403 PolarHBondContact O-N 3.06Å; V403-F405 PolarHBondContact O-N 3.1Å; V403-L406 PolarHBondContact O-N 2.89Å; V403-Q407 VanDerWaalsContact O-CB 3.22Å; V403-Q407 WeakPolarHBondContact O-CB 3.33Å; V403-Q407 PolarHBondContact O-N 2.98Å; V403-F425 HydrophobicContact CG2-CD2 4.02Å; V403-F425 HydrophobicContact CG2-CE2 3.24Å; V403-F425 HydrophobicContact CG2-CZ 3.6Å
404	L	39.1	Very low	37.7	Very low	99 Å²	99	94 Å²	94	52%	0.518	49%	0.485	S	S	.	.	H	α-helix	trans	-62.5	-31.4	-178	-67	171.4	0	0	0	112.4	R400 S408	R400-L404 HydrophobicContact CG-CD1 4.11Å; R400-L404 WeakPolarHBondContact O-CG 3.28Å; R400-L404 PolarHBondContact O-N 2.92Å; L404-S408 PolarHBondContact O-N 3.21Å
405	F	40.8	Very low	38.2	Very low	89 Å²	89	96.3 Å²	96.3	39%	0.39	49%	0.49	S	S	.	.	H	α-helix	trans	-70.1	-49.9	176.6	-175.3	-92.4	0	0	0	112.4	R401 I402 V403 Q407 S408 I409 A648	R401-F405 WeakPolarHBondContact O-CB 3.34Å; R401-F405 PolarHBondContact O-N 3.21Å; I402-F405 PolarHBondContact O-N 2.97Å; V403-F405 PolarHBondContact O-N 3.1Å; F405-Q407 VanDerWaalsContact C-N 3.27Å; F405-Q407 PolarHBondContact O-N 2.91Å; F405-S408 WeakPolarHBondContact O-CB 3.25Å; F405-S408 PolarHBondContact O-N 2.98Å; F405-S408 VanDerWaalsContact O-N 3.12Å; F405-I409 HydrophobicContact CD1-CD1 4.05Å; F405-I409 HydrophobicContact CE1-CD1 3.35Å; F405-I409 HydrophobicContact CE2-CD1 4.44Å; F405-I409 HydrophobicContact CZ-CD1 3.57Å; F405-A648 HydrophobicContact CE1-CB 3.34Å; F405-A648 HydrophobicContact CE2-CB 4.37Å; F405-A648 HydrophobicContact CZ-CB 3.23Å
406	L	36.9	Very low	38.8	Very low	35 Å²	35	98.7 Å²	98.7	18%	0.183	51%	0.506	C	S	.	.	H	α-helix	trans	-66.2	-31.5	178	-68.7	171.8	0	0	0	112.1	I402 V403 S408 L421	I402-L406 HydrophobicContact CG2-CD1 3.76Å; I402-L406 HydrophobicContact CG2-CG 4.38Å; I402-L406 WeakPolarHBondContact O-CB 3.3Å; I402-L406 WeakPolarHBondContact O-CG 3.49Å; I402-L406 PolarHBondContact O-N 3.42Å; V403-L406 PolarHBondContact O-N 2.89Å; L406-S408 PolarHBondContact O-N 3.19Å; L406-L421 HydrophobicContact CB-CD1 4.18Å; L406-L421 HydrophobicContact CD1-CD1 3.81Å; L406-L421 HydrophobicContact CD1-CD2 4.06Å
407	Q	36	Very low	39.5	Very low	132 Å²	132	95.3 Å²	95.3	62%	0.617	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.4	175.2	-168.2	170	7.8	0	0	113.3	V403 F405	V403-Q407 VanDerWaalsContact O-CB 3.22Å; V403-Q407 WeakPolarHBondContact O-CB 3.33Å; V403-Q407 PolarHBondContact O-N 2.98Å; F405-Q407 VanDerWaalsContact C-N 3.27Å; F405-Q407 PolarHBondContact O-N 2.91Å
408	S	37.7	Very low	39.8	Very low	102 Å²	102	95.6 Å²	95.6	71%	0.713	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.7	-178.7	-169	0	0	0	0	114.9	L404 F405 L406	L404-S408 PolarHBondContact O-N 3.21Å; F405-S408 WeakPolarHBondContact O-CB 3.25Å; F405-S408 PolarHBondContact O-N 2.98Å; F405-S408 VanDerWaalsContact O-N 3.12Å; L406-S408 PolarHBondContact O-N 3.19Å
409	I	41	Very low	40.2	Very low	54 Å²	54	98.7 Å²	98.7	28%	0.277	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-27.2	-166	-62.9	173.5	0	0	0	113.6	F405 A653	F405-I409 HydrophobicContact CD1-CD1 4.05Å; F405-I409 HydrophobicContact CE1-CD1 3.35Å; F405-I409 HydrophobicContact CE2-CD1 4.44Å; F405-I409 HydrophobicContact CZ-CD1 3.57Å; I409-A653 HydrophobicContact CG2-CB 4.26Å
410	F	43.8	Very low	40.6	Very low	77 Å²	77	99.5 Å²	99.5	34%	0.338	51%	0.51	S	S	.	.			trans	-122.3	77.9	-162.1	-64.5	-70.4	0	0	0	115.5	S412 L417	F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 2.55Å; F410-L417 HydrophobicContact CD2-CD2 4.41Å
411	S	45.3	Very low	41	Very low	131 Å²	131	92 Å²	92	92%	0.916	48%	0.484	S	S	*	.	S	Bend	trans	-81.8	59	173.5	-167.6	0	0	0	0	113.7
412	S	41.3	Very low	41.5	Very low	112 Å²	112	88.5 Å²	88.5	78%	0.783	48%	0.479	S	S	*	.	S	Bend	trans	-169.3	-43.5	155.8	-171.4	0	0	0	0	111.8	F410 C414	F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 2.55Å; S412-C414 PolarHBondContact O-N 3.38Å
413	F	41.6	Very low	41.9	Very low	159 Å²	159	91.5 Å²	91.5	70%	0.697	50%	0.495	S	S	*	.	S	Bend	trans	-67	12.4	177.1	-94.8	-89.6	0	0	0	115.3	L415	F413-L415 PolarHBondContact O-N 3.28Å
414	C	40.9	Very low	42.2	Very low	68 Å²	68	90.6 Å²	90.6	46%	0.459	49%	0.488	S	S	.	.	H	α-helix	trans	-69.6	-39.7	-150.3	-150.8	0	0	0	0	114.1	S412 C418	S412-C414 PolarHBondContact O-N 3.38Å; C414-C418 WeakPolarHBondContact O-CB 3.23Å; C414-C418 PolarHBondContact O-N 2.92Å
415	L	40.8	Very low	42.5	Very low	139 Å²	139	87.7 Å²	87.7	73%	0.728	47%	0.472	S	S	*	.	H	α-helix	trans	-69.4	-49.3	-172.7	-70.7	171.8	0	0	0	113.3	F413 C418 F419	F413-L415 PolarHBondContact O-N 3.28Å; L415-C418 PolarHBondContact O-N 3Å; L415-F419 WeakPolarHBondContact O-CB 3.43Å; L415-F419 PolarHBondContact O-N 3.08Å
416	L	40.8	Very low	42.8	Very low	148 Å²	148	84.8 Å²	84.8	78%	0.775	47%	0.467	S	S	*	.	H	α-helix	trans	-66.2	-40.8	-177.8	-91.2	158	0	0	0	112.2	F420	L416-F420 VanDerWaalsContact O-CB 3.25Å; L416-F420 WeakPolarHBondContact O-CB 3.35Å; L416-F420 PolarHBondContact O-N 3.28Å
417	L	41.9	Very low	43.1	Very low	43 Å²	43	89.7 Å²	89.7	23%	0.225	49%	0.489	C	S	.	.	H	α-helix	trans	-73.6	-34.5	179	-158.6	76.3	0	0	0	112.1	F410 F420 L421 L623	F410-L417 HydrophobicContact CD2-CD2 4.41Å; L417-F420 HydrophobicContact CD1-CD1 3.94Å; L417-F420 PolarHBondContact O-N 3.49Å; L417-L421 WeakPolarHBondContact O-CG 3.39Å; L417-L421 PolarHBondContact O-N 3.32Å; L417-L623 HydrophobicContact CD1-CD1 4.32Å
418	C	39.3	Very low	43.2	Very low	60 Å²	60	86 Å²	86	41%	0.405	47%	0.472	S	S	.	.	H	α-helix	trans	-67.1	-45	174.3	-167.6	0	0	0	0	111.3	C414 L415 F420 L421 L422	C414-C418 WeakPolarHBondContact O-CB 3.23Å; C414-C418 PolarHBondContact O-N 2.92Å; L415-C418 PolarHBondContact O-N 3Å; C418-F420 VanDerWaalsContact C-N 3.3Å; C418-F420 PolarHBondContact O-N 3.08Å; C418-L421 PolarHBondContact O-N 3.22Å; C418-L422 WeakPolarHBondContact O-CB 3.29Å; C418-L422 VanDerWaalsContact O-CG 3.29Å; C418-L422 WeakPolarHBondContact O-CG 3.49Å; C418-L422 PolarHBondContact O-N 2.93Å
419	F	42.5	Very low	43.4	Very low	139 Å²	139	87.7 Å²	87.7	61%	0.61	47%	0.467	S	S	*	.	H	α-helix	trans	-60.3	-36.9	171.2	-99.3	-83.2	0	0	0	112.9	L415 N423	L415-F419 WeakPolarHBondContact O-CB 3.43Å; L415-F419 PolarHBondContact O-N 3.08Å; F419-N423 WeakPolarHBondContact O-CB 3.47Å; F419-N423 PolarHBondContact O-N 3.42Å
420	F	47.3	Very low	43.4	Very low	43 Å²	43	92.6 Å²	92.6	19%	0.189	49%	0.493	C	S	.	.	H	α-helix	trans	-65.9	-47.6	177	170.9	-122.3	0	0	0	112.2	L416 L417 C418 N423 I424 L623 T627	L416-F420 VanDerWaalsContact O-CB 3.25Å; L416-F420 WeakPolarHBondContact O-CB 3.35Å; L416-F420 PolarHBondContact O-N 3.28Å; L417-F420 HydrophobicContact CD1-CD1 3.94Å; L417-F420 PolarHBondContact O-N 3.49Å; C418-F420 VanDerWaalsContact C-N 3.3Å; C418-F420 PolarHBondContact O-N 3.08Å; F420-N423 WeakPolarHBondContact O-CB 3.31Å; F420-N423 PolarHBondContact O-N 2.74Å; F420-I424 HydrophobicContact CD1-CD1 4.49Å; F420-I424 HydrophobicContact CD2-CD1 4.2Å; F420-I424 HydrophobicContact CE1-CD1 3.86Å; F420-I424 HydrophobicContact CE2-CD1 3.48Å; F420-I424 VanDerWaalsContact CE2-CD1 3.48Å; F420-I424 HydrophobicContact CE2-CG1 4.06Å; F420-I424 HydrophobicContact CZ-CD1 3.31Å; F420-I424 HydrophobicContact CZ-CG1 4.37Å; F420-I424 PolarHBondContact O-N 3.49Å; F420-L623 HydrophobicContact CE1-CD2 4.49Å; F420-T627 HydrophobicContact CD2-CG2 3.91Å; F420-T627 HydrophobicContact CE2-CG2 3.19Å; F420-T627 HydrophobicContact CZ-CG2 3.56Å
421	L	46.2	Very low	43.2	Very low	32 Å²	32	94.4 Å²	94.4	17%	0.168	51%	0.514	C	S	.	.	H	α-helix	trans	-63.8	-42.8	174.8	-69.8	172.6	0	0	0	111.2	L406 L417 C418 N423 I424 F425	L406-L421 HydrophobicContact CB-CD1 4.18Å; L406-L421 HydrophobicContact CD1-CD1 3.81Å; L406-L421 HydrophobicContact CD1-CD2 4.06Å; L417-L421 WeakPolarHBondContact O-CG 3.39Å; L417-L421 PolarHBondContact O-N 3.32Å; C418-L421 PolarHBondContact O-N 3.22Å; L421-N423 VanDerWaalsContact C-N 3.26Å; L421-N423 PolarHBondContact O-N 3.4Å; L421-I424 PolarHBondContact O-N 3.27Å; L421-I424 VanDerWaalsContact O-N 3.17Å; L421-F425 HydrophobicContact CB-CD2 4.41Å; L421-F425 HydrophobicContact CB-CE2 4.37Å; L421-F425 WeakPolarHBondContact O-CD2 3.41Å; L421-F425 PolarHBondContact O-N 3.1Å
422	L	49.6	Very low	42.8	Very low	111 Å²	111	90 Å²	90	58%	0.581	49%	0.489	S	S	*	.	H	α-helix	trans	-60.7	-33.2	174	-75.1	166.6	0	0	0	112.6	C418 G426	C418-L422 WeakPolarHBondContact O-CB 3.29Å; C418-L422 VanDerWaalsContact O-CG 3.29Å; C418-L422 WeakPolarHBondContact O-CG 3.49Å; C418-L422 PolarHBondContact O-N 2.93Å; L422-G426 WeakPolarHBondContact O-CA 3.24Å; L422-G426 PolarHBondContact O-N 3.44Å
423	N	46.6	Very low	42.3	Very low	101 Å²	101	90.4 Å²	90.4	54%	0.54	49%	0.491	S	S	.	.	H	α-helix	trans	-68.4	-44.9	171.8	-113	-64	0	0	0	112.4	F419 F420 L421 G426 Q427	F419-N423 WeakPolarHBondContact O-CB 3.47Å; F419-N423 PolarHBondContact O-N 3.42Å; F420-N423 WeakPolarHBondContact O-CB 3.31Å; F420-N423 PolarHBondContact O-N 2.74Å; L421-N423 VanDerWaalsContact C-N 3.26Å; L421-N423 PolarHBondContact O-N 3.4Å; N423-G426 PolarHBondContact O-N 3.41Å; N423-Q427 PolarHBondContact O-N 2.8Å
424	I	47.9	Very low	41.9	Very low	28 Å²	28	88.8 Å²	88.8	14%	0.144	50%	0.499	C	S	.	.	H	α-helix	trans	-61.2	-48.2	176.1	-75.1	173.2	0	0	0	110.5	F420 L421 G426 Q427 M428 L631	F420-I424 HydrophobicContact CD1-CD1 4.49Å; F420-I424 HydrophobicContact CD2-CD1 4.2Å; F420-I424 HydrophobicContact CE1-CD1 3.86Å; F420-I424 HydrophobicContact CE2-CD1 3.48Å; F420-I424 VanDerWaalsContact CE2-CD1 3.48Å; F420-I424 HydrophobicContact CE2-CG1 4.06Å; F420-I424 HydrophobicContact CZ-CD1 3.31Å; F420-I424 HydrophobicContact CZ-CG1 4.37Å; F420-I424 PolarHBondContact O-N 3.49Å; L421-I424 PolarHBondContact O-N 3.27Å; L421-I424 VanDerWaalsContact O-N 3.17Å; I424-G426 VanDerWaalsContact C-N 3.3Å; I424-G426 PolarHBondContact O-N 2.97Å; I424-Q427 PolarHBondContact O-N 3.05Å; I424-M428 HydrophobicContact CG2-SD 4.12Å; I424-M428 WeakPolarHBondContact O-CG 3.25Å; I424-M428 PolarHBondContact O-N 3.24Å; I424-L631 HydrophobicContact CD1-CD1 3.83Å; I424-L631 HydrophobicContact CG1-CD1 4.38Å; I424-L631 HydrophobicContact CG2-CD1 4.11Å
425	F	45.3	Very low	41.6	Very low	39 Å²	39	91.7 Å²	91.7	17%	0.171	52%	0.517	C	S	.	.	H	α-helix	trans	-64.6	-36	175.6	-72.2	-61.9	0	0	0	111.9	N399 V403 L421 M428 F429	N399-F425 HydrophobicContact CB-CE1 3.8Å; N399-F425 HydrophobicContact CB-CZ 4.28Å; V403-F425 HydrophobicContact CG2-CD2 4.02Å; V403-F425 HydrophobicContact CG2-CE2 3.24Å; V403-F425 HydrophobicContact CG2-CZ 3.6Å; L421-F425 HydrophobicContact CB-CD2 4.41Å; L421-F425 HydrophobicContact CB-CE2 4.37Å; L421-F425 WeakPolarHBondContact O-CD2 3.41Å; L421-F425 PolarHBondContact O-N 3.1Å; F425-M428 HydrophobicContact CD1-SD 4.33Å; F425-M428 HydrophobicContact CE1-SD 4.4Å; F425-M428 PolarHBondContact O-N 3.07Å; F425-F429 WeakPolarHBondContact O-CB 3.3Å; F425-F429 WeakPolarHBondContact O-CD2 3.28Å; F425-F429 PolarHBondContact O-N 2.89Å
426	G	45.8	Very low	41.2	Very low	28 Å²	28	91.4 Å²	91.4	29%	0.289	53%	0.526	S	S	.	.	H	α-helix	trans	-58.2	-47.3	171.2	0	0	0	0	0	112.9	L422 N423 I424 F429 L430	L422-G426 WeakPolarHBondContact O-CA 3.24Å; L422-G426 PolarHBondContact O-N 3.44Å; N423-G426 PolarHBondContact O-N 3.41Å; I424-G426 VanDerWaalsContact C-N 3.3Å; I424-G426 PolarHBondContact O-N 2.97Å; G426-F429 PolarHBondContact O-N 2.71Å; G426-L430 WeakPolarHBondContact O-CB 3.48Å; G426-L430 VanDerWaalsContact O-CG 3.27Å; G426-L430 WeakPolarHBondContact O-CG 3.43Å; G426-L430 PolarHBondContact O-N 3.27Å
427	Q	42.9	Very low	40.8	Very low	137 Å²	137	87.7 Å²	87.7	64%	0.64	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-38.8	175.7	-72	-173.2	-8	0	0	112.4	N423 I424 C431	N423-Q427 PolarHBondContact O-N 2.8Å; I424-Q427 PolarHBondContact O-N 3.05Å; Q427-C431 PolarHBondContact O-N 3.34Å
428	M	38.3	Very low	40.3	Very low	55 Å²	55	90.5 Å²	90.5	27%	0.271	55%	0.554	S	S	.	*	H	α-helix	trans	-66.8	-35.3	175.3	-67.8	179.4	77.3	0	0	112.8	F395 I424 F425	F395-M428 HydrophobicContact CE1-CE 3.59Å; F395-M428 HydrophobicContact CZ-CE 4.01Å; I424-M428 HydrophobicContact CG2-SD 4.12Å; I424-M428 WeakPolarHBondContact O-CG 3.25Å; I424-M428 PolarHBondContact O-N 3.24Å; F425-M428 HydrophobicContact CD1-SD 4.33Å; F425-M428 HydrophobicContact CE1-SD 4.4Å; F425-M428 PolarHBondContact O-N 3.07Å
429	F	41.8	Very low	40	Very low	137 Å²	137	93.2 Å²	93.2	60%	0.601	57%	0.571	S	S	*	*	H	α-helix	trans	-76.8	-39	175.8	-95.1	-88.3	0	0	0	112.9	F396 F425 G426 C431 G432	F396-F429 HydrophobicContact CE1-CZ 4.31Å; F425-F429 WeakPolarHBondContact O-CB 3.3Å; F425-F429 WeakPolarHBondContact O-CD2 3.28Å; F425-F429 PolarHBondContact O-N 2.89Å; G426-F429 PolarHBondContact O-N 2.71Å; F429-C431 PolarHBondContact O-N 3.48Å; F429-G432 CarbonylContact O-C 3.59Å; F429-G432 PolarHBondContact O-N 2.97Å
430	L	41.7	Very low	39.7	Very low	158 Å²	158	92.1 Å²	92.1	83%	0.827	58%	0.577	S	S	*	*	H	α-helix	trans	-65.5	-19.6	179	-75.1	169	0	0	0	113.4	G426	G426-L430 WeakPolarHBondContact O-CB 3.48Å; G426-L430 VanDerWaalsContact O-CG 3.27Å; G426-L430 WeakPolarHBondContact O-CG 3.43Å; G426-L430 PolarHBondContact O-N 3.27Å
431	C	38.5	Very low	39	Very low	114 Å²	114	96 Å²	96	77%	0.77	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	0.5	172.2	-145.9	0	0	0	0	113.4	Q427 F429	Q427-C431 PolarHBondContact O-N 3.34Å; F429-C431 PolarHBondContact O-N 3.48Å
432	G	37.9	Very low	38.2	Very low	38 Å²	38	102.3 Å²	102.3	39%	0.392	64%	0.64	S	S	.	*	S	Bend	trans	-133.9	86.3	-169.3	0	0	0	0	0	114.7	F429	F429-G432 CarbonylContact O-C 3.59Å; F429-G432 PolarHBondContact O-N 2.97Å
433	C	31.5	Very low	37.3	Very low	122 Å²	122	102.2 Å²	102.2	82%	0.824	65%	0.649	S	S	*	*			trans	60.7	107.3	165	-60.3	0	0	0	0	117.8	P435	C433-P435 WeakPolarHBondContact O-CD 3.43Å
434	S	31.6	Very low	36.7	Very low	124 Å²	124	104.1 Å²	104.1	87%	0.867	66%	0.663	S	S	*	*			trans	-62.5	123.9	158.1	-58.7	0	0	0	0	110.9	S436	S434-S436 PolarHBondContact O-N 2.87Å
435	P	34.9	Very low	36	Very low	129 Å²	129	108.1 Å²	108.1	84%	0.838	69%	0.691	S	S	*	*			trans	-79	111.3	171	-3.9	21.4	0	0	0	109.6	C433	C433-P435 WeakPolarHBondContact O-CD 3.43Å
436	S	33.8	Very low	35.6	Very low	133 Å²	133	112.1 Å²	112.1	93%	0.93	72%	0.721	S	S	*	*			trans	-78.8	124.1	163.3	-175.3	0	0	0	0	109	S434	S434-S436 PolarHBondContact O-N 2.87Å
437	G	31.9	Very low	34.9	Very low	71 Å²	71	116.6 Å²	116.6	73%	0.732	75%	0.748	S	S	*	*			trans	157.9	89.3	178.7	0	0	0	0	0	113.5
438	A	30.8	Very low	34.6	Very low	102 Å²	102	115.8 Å²	115.8	84%	0.843	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-95	128.7	172.8	0	0	0	0	0	111.1
439	P	34.3	Very low	34.2	Very low	117 Å²	117	124.9 Å²	124.9	76%	0.76	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-86.9	159.8	165.5	34.2	-31.6	0	0	0	111.8
440	P	35.8	Very low	33.8	Very low	115 Å²	115	124.8 Å²	124.8	75%	0.747	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.3	162	-174.1	31.7	-36.5	0	0	0	114.2
441	P	32.4	Very low	33.3	Very low	125 Å²	125	122.2 Å²	122.2	81%	0.812	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-81.3	148.2	-175.6	33.2	-36.1	0	0	0	113.7
442	L	29.4	Very low	33.1	Very low	164 Å²	164	122.9 Å²	122.9	86%	0.859	79%	0.792	S	S	*	*			trans	-132.8	120.1	170.1	-79.3	171.1	0	0	0	112
443	S	30.4	Very low	32.9	Very low	110 Å²	110	127.2 Å²	127.2	77%	0.769	81%	0.811	S	S	*	*			trans	27.5	118.3	152.4	56.9	0	0	0	0	120.7
444	V	34.5	Very low	32.9	Very low	140 Å²	140	126.8 Å²	126.8	85%	0.848	81%	0.806	S	S	*	*			trans	-88.3	138.1	169.5	174.4	0	0	0	0	112.1
445	P	32.4	Very low	33	Very low	112 Å²	112	129.7 Å²	129.7	73%	0.727	81%	0.806	S	S	*	*			trans	-110.2	161	148.3	-1.4	23	0	0	0	112.4
446	P	37.5	Very low	33	Very low	123 Å²	123	128.8 Å²	128.8	80%	0.799	80%	0.8	S	S	*	*			trans	-88.2	156.5	-162.6	34.2	-37.3	0	0	0	116.5
447	S	31.6	Very low	32.9	Very low	122 Å²	122	128.6 Å²	128.6	85%	0.853	80%	0.796	S	S	*	*			trans	-77.1	156.9	179.2	-37.3	0	0	0	0	115
448	P	35	Very low	32.9	Very low	121 Å²	121	129.3 Å²	129.3	79%	0.786	79%	0.79	S	S	*	*			trans	-119.3	118.9	149.8	34.2	-23.7	0	0	0	113.7
449	R	30.6	Very low	33.1	Very low	245 Å²	245	127.6 Å²	127.6	93%	0.925	78%	0.781	S	S	*	*			trans	41	124.4	148.2	-56.8	-173.5	-176	-158.7	-0.7	121.2
450	V	32.7	Very low	33.3	Very low	136 Å²	136	129.2 Å²	129.2	82%	0.824	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-92.8	138.4	172.9	170.9	0	0	0	0	111.9
451	P	32.7	Very low	33.1	Very low	103 Å²	103	131.6 Å²	131.6	67%	0.669	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-95.7	153	151	35.4	-29.3	0	0	0	111.4
452	P	34.2	Very low	33.2	Very low	128 Å²	128	131.4 Å²	131.4	83%	0.831	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-76.5	150.5	-160.5	29.7	-36.6	0	0	0	115.8
453	V	33.1	Very low	33.4	Very low	129 Å²	129	126.4 Å²	126.4	78%	0.782	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-100.7	138.2	172.6	178.4	0	0	0	0	109.3
454	P	31.4	Very low	33.6	Very low	113 Å²	113	126.2 Å²	126.2	73%	0.734	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-69.5	154.1	177.8	28.5	-35	0	0	0	113
455	H	33.5	Very low	33.6	Very low	185 Å²	185	124.9 Å²	124.9	86%	0.856	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-67.6	145.7	-171.5	-63.9	-94.4	0	0	0	114.2
456	P	34.4	Very low	33.7	Very low	111 Å²	111	125.6 Å²	125.6	72%	0.721	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-73.8	154.1	164.8	33.1	-34.9	0	0	0	111.5
457	P	31.3	Very low	33.5	Very low	128 Å²	128	127.6 Å²	127.6	83%	0.831	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-68.9	160.5	176.1	28.9	-34.8	0	0	0	113.2
458	S	32.7	Very low	33.6	Very low	87 Å²	87	131 Å²	131	61%	0.608	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-69.3	150.4	-169.5	51.3	0	0	0	0	115	E460	S458-E460 PolarHBondContact O-N 3.32Å
459	G	35.9	Very low	33.4	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	7.7	-173.9	0	0	0	0	0	117.1	Q461 L462	G459-Q461 VanDerWaalsContact C-N 3.35Å; G459-Q461 PolarHBondContact O-N 2.63Å; G459-L462 PolarHBondContact O-N 3.44Å
460	E	36.8	Very low	33.3	Very low	151 Å²	151	123.3 Å²	123.3	71%	0.706	69%	0.688	S	S	*	*	H	α-helix	trans	-71.4	-28.1	-175.2	-64.5	-175.9	119.4	0	0	113.1	S458 L462 L464	S458-E460 PolarHBondContact O-N 3.32Å; E460-L462 VanDerWaalsContact C-N 3.31Å; E460-L462 PolarHBondContact O-N 3.2Å; E460-L464 PolarHBondContact O-N 3.42Å
461	Q	32.8	Very low	33.1	Very low	166 Å²	166	124 Å²	124	78%	0.776	68%	0.684	S	S	*	*	H	α-helix	trans	-67.4	-29.4	177.9	-66.4	-170.1	-1.4	0	0	113	G459 L465	G459-Q461 VanDerWaalsContact C-N 3.35Å; G459-Q461 PolarHBondContact O-N 2.63Å; Q461-L465 WeakPolarHBondContact O-CB 3.45Å; Q461-L465 PolarHBondContact O-N 3.42Å
462	L	33.2	Very low	32.9	Very low	121 Å²	121	124 Å²	124	63%	0.634	69%	0.687	S	S	*	*	H	α-helix	trans	-73.4	-42.4	-177.5	-147.9	81	0	0	0	111.8	G459 E460 L465 Q466	G459-L462 PolarHBondContact O-N 3.44Å; E460-L462 VanDerWaalsContact C-N 3.31Å; E460-L462 PolarHBondContact O-N 3.2Å; L462-L465 PolarHBondContact O-N 3.2Å; L462-Q466 PolarHBondContact O-N 2.92Å
463	A	35.4	Very low	32.8	Very low	59 Å²	59	122.4 Å²	122.4	49%	0.488	68%	0.678	S	S	.	*	H	α-helix	trans	-64.3	-41	177.9	0	0	0	0	0	111.9	L465 Q466 Y467	A463-L465 PolarHBondContact O-N 2.9Å; A463-Q466 PolarHBondContact O-N 2.85Å; A463-Y467 WeakPolarHBondContact O-CB 3.48Å; A463-Y467 PolarHBondContact O-N 3.38Å
464	L	34.3	Very low	32.4	Very low	106 Å²	106	124.8 Å²	124.8	56%	0.555	68%	0.683	S	S	*	*	H	α-helix	trans	-64.3	-30.7	176.6	-128.6	169.8	0	0	0	112.2	E460 R468	E460-L464 PolarHBondContact O-N 3.42Å; L464-R468 PolarHBondContact O-N 3.27Å
465	L	33.3	Very low	32.2	Very low	111 Å²	111	125.3 Å²	125.3	58%	0.581	69%	0.686	S	S	*	*	H	α-helix	trans	-79.3	-40.9	178.1	-154.4	143.8	0	0	0	111.7	Q461 L462 A463 R468 L469	Q461-L465 WeakPolarHBondContact O-CB 3.45Å; Q461-L465 PolarHBondContact O-N 3.42Å; L462-L465 PolarHBondContact O-N 3.2Å; A463-L465 PolarHBondContact O-N 2.9Å; L465-R468 PolarHBondContact O-N 3.02Å; L465-L469 HydrophobicContact CD2-CD1 3.81Å; L465-L469 WeakPolarHBondContact O-CG 3.25Å; L465-L469 PolarHBondContact O-N 2.9Å
466	Q	35.7	Very low	31.8	Very low	127 Å²	127	122.4 Å²	122.4	59%	0.593	69%	0.685	S	S	*	*	H	α-helix	trans	-62.9	-42.6	171.9	-74	179.7	-43.4	0	0	112.4	L462 A463 R468 L469 S470	L462-Q466 PolarHBondContact O-N 2.92Å; A463-Q466 PolarHBondContact O-N 2.85Å; Q466-R468 VanDerWaalsContact C-N 3.26Å; Q466-R468 PolarHBondContact O-N 3.04Å; Q466-L469 PolarHBondContact O-N 3.06Å; Q466-S470 PolarHBondContact O-N 2.76Å; Q466-S470 PolarHBondContact O-OG 3Å
467	Y	33.8	Very low	31.4	Very low	166 Å²	166	126.1 Å²	126.1	65%	0.651	69%	0.693	S	S	*	*	H	α-helix	trans	-61.3	-31	177.3	-178.2	-104.6	0	0	0	113.4	A463 S470	A463-Y467 WeakPolarHBondContact O-CB 3.48Å; A463-Y467 PolarHBondContact O-N 3.38Å; Y467-S470 PolarHBondContact O-OG 3.1Å
468	R	31.9	Very low	31.6	Very low	194 Å²	194	125.7 Å²	125.7	73%	0.732	69%	0.69	S	S	*	*	H	α-helix	trans	-77.3	-24.7	173.9	-75.1	-170.7	-179.9	-146.4	3.3	113.8	L464 L465 Q466	L464-R468 PolarHBondContact O-N 3.27Å; L465-R468 PolarHBondContact O-N 3.02Å; Q466-R468 VanDerWaalsContact C-N 3.26Å; Q466-R468 PolarHBondContact O-N 3.04Å
469	L	32.5	Very low	31.2	Very low	125 Å²	125	130.3 Å²	130.3	65%	0.654	71%	0.707	S	S	*	*	H	α-helix	trans	-85.5	-23.4	-179	-70.4	171	0	0	0	113.4	L465 Q466 M471	L465-L469 HydrophobicContact CD2-CD1 3.81Å; L465-L469 WeakPolarHBondContact O-CG 3.25Å; L465-L469 PolarHBondContact O-N 2.9Å; Q466-L469 PolarHBondContact O-N 3.06Å; L469-M471 VanDerWaalsContact C-N 3.34Å; L469-M471 PolarHBondContact O-N 3.17Å
470	S	27.8	Very low	30.9	Very low	78 Å²	78	131.6 Å²	131.6	55%	0.545	71%	0.711	S	S	.	*	S	Bend	trans	-79.5	-6.2	-177.1	55	0	0	0	0	115.5	Q466 Y467 S472	Q466-S470 PolarHBondContact O-N 2.76Å; Q466-S470 PolarHBondContact O-OG 3Å; Y467-S470 PolarHBondContact O-OG 3.1Å; S470-S472 VanDerWaalsContact C-N 3.27Å; S470-S472 PolarHBondContact O-N 2.97Å
471	M	27.4	Very low	30.7	Very low	151 Å²	151	130.1 Å²	130.1	74%	0.744	72%	0.715	S	S	*	*			trans	-85.9	21	-175.6	-77.2	-64.8	-61.7	0	0	114.6	L469	L469-M471 VanDerWaalsContact C-N 3.34Å; L469-M471 PolarHBondContact O-N 3.17Å
472	S	30.2	Very low	30.9	Very low	104 Å²	104	128.2 Å²	128.2	73%	0.727	72%	0.717	S	S	*	*	S	Bend	trans	-117.9	31	-173.2	-61.6	0	0	0	0	114.7	S470	S470-S472 VanDerWaalsContact C-N 3.27Å; S470-S472 PolarHBondContact O-N 2.97Å
473	S	30.5	Very low	30.4	Very low	93 Å²	93	126 Å²	126	65%	0.65	72%	0.723	S	S	*	*			trans	-156.8	95.1	176	58	0	0	0	0	114.1
474	M	25.1	Very low	30.1	Very low	179 Å²	179	129.8 Å²	129.8	88%	0.882	75%	0.746	S	S	*	*			trans	-156.2	138.9	148.2	-88.7	-52.4	139.3	0	0	109.6
475	P	27.3	Very low	29.7	Very low	124 Å²	124	128 Å²	128	81%	0.805	75%	0.753	S	S	*	*			trans	-77	149.1	172.8	32.9	-33.9	0	0	0	111.1
476	C	24.4	Very low	29.4	Very low	124 Å²	124	128.9 Å²	128.9	84%	0.838	76%	0.763	S	S	*	*			trans	-106.8	126.1	179.5	-165.2	0	0	0	0	110.8
477	Q	27	Very low	29	Very low	190 Å²	190	130.8 Å²	130.8	89%	0.888	78%	0.777	S	S	*	*			trans	-112.7	127.8	166.1	-80.5	-171.4	-34.9	0	0	109.5
478	P	36	Very low	28.9	Very low	119 Å²	119	130.5 Å²	130.5	77%	0.773	78%	0.781	S	S	*	*			trans	-95.2	139.5	173.8	34.7	-30.9	0	0	0	112.4
479	L	23.8	Very low	28.8	Very low	184 Å²	184	126.7 Å²	126.7	96%	0.963	78%	0.78	S	S	*	*			trans	-124.1	139.6	158.1	-85.2	163.3	0	0	0	108.2
480	A	28.5	Very low	28.8	Very low	91 Å²	91	131.5 Å²	131.5	75%	0.752	79%	0.791	S	S	*	*			trans	-90.3	-174.5	-173.8	0	0	0	0	0	110.8
481	P	34	Very low	29.7	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	79%	0.794	S	S	*	*			cis	-133.7	-137.9	9.4	36.1	-9.8	0	0	0	113.7
482	P	37	Very low	31	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	80%	0.798	S	S	*	*				-121.6	167.5	-111.6	37.8	-19.3	0	0	0	116
483	G	23.3	Very low	32.7	Very low	75 Å²	75	134.2 Å²	134.2	77%	0.773	79%	0.789	S	S	*	*			trans	-165.5	137.9	169.4	0	0	0	0	0	112.1
484	S	28.8	Very low	35.1	Very low	138 Å²	138	132.3 Å²	132.3	97%	0.965	77%	0.769	S	S	*	*			trans	-76.1	140.5	-171.1	-53.6	0	0	0	0	113.9
485	G	25.2	Very low	37.9	Very low	68 Å²	68	129.5 Å²	129.5	70%	0.701	76%	0.757	S	S	*	*			trans	162.7	117.4	166.1	0	0	0	0	0	113.9
486	T	26	Very low	40.9	Very low	130 Å²	130	124.2 Å²	124.2	80%	0.798	72%	0.723	S	S	*	*			trans	52.4	100	165.4	-44.9	0	0	0	0	116.8	H488	T486-H488 VanDerWaalsContact C-N 3.25Å; T486-H488 PolarHBondContact O-N 3.01Å
487	L	27.7	Very low	44	Very low	167 Å²	167	120.7 Å²	120.7	87%	0.874	70%	0.7	S	S	*	*			trans	-69.3	78.8	166.4	-86.7	167.2	0	0	0	111.5	T489	L487-T489 VanDerWaalsContact C-N 3.3Å; L487-T489 PolarHBondContact O-N 3.2Å; L487-T489 VanDerWaalsContact O-N 3.12Å
488	H	32	Very low	47.1	Very low	161 Å²	161	115.8 Å²	115.8	75%	0.745	68%	0.677	S	S	*	*			trans	-65.8	101.1	142.7	-97.2	-60.7	0	0	0	106.8	T486 Y490	T486-H488 VanDerWaalsContact C-N 3.25Å; T486-H488 PolarHBondContact O-N 3.01Å; H488-Y490 PolarHBondContact O-N 3.46Å
489	T	30.8	Very low	49.7	Very low	114 Å²	114	111.2 Å²	111.2	70%	0.699	65%	0.645	S	S	*	*			trans	-54.9	112.2	168.8	-57.2	0	0	0	0	108.1	L487 Q491	L487-T489 VanDerWaalsContact C-N 3.3Å; L487-T489 PolarHBondContact O-N 3.2Å; L487-T489 VanDerWaalsContact O-N 3.12Å; T489-Q491 PolarHBondContact O-N 3.04Å
490	Y	32.6	Very low	53	Low	226 Å²	226	102.5 Å²	102.5	89%	0.886	60%	0.6	S	S	*	*			trans	-67	86.1	164.4	-88.5	-99.4	0	0	0	107.1	H488 E492	H488-Y490 PolarHBondContact O-N 3.46Å; Y490-E492 PolarHBondContact O-N 2.89Å
491	Q	47	Very low	56.2	Low	133 Å²	133	98.2 Å²	98.2	62%	0.621	56%	0.564	S	S	*	*			trans	-64.6	114.8	169.2	-175.2	168.8	14.9	0	0	107	T489	T489-Q491 PolarHBondContact O-N 3.04Å
492	E	53.4	Low	59.2	Low	175 Å²	175	93.8 Å²	93.8	82%	0.818	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-56.7	135.5	176.5	-66.4	-165.7	136.8	0	0	109.3	Y490 F494	Y490-E492 PolarHBondContact O-N 2.89Å; E492-F494 PolarHBondContact O-N 3.39Å
493	P	66.5	Low	62	Low	82 Å²	82	87.8 Å²	87.8	53%	0.532	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-62.3	126.5	-177.9	25.6	-33.4	0	0	0	109.3	N495	P493-N495 PolarHBondContact O-N 2.86Å; P493-N495 VanDerWaalsContact O-N 3.09Å; P493-N495 PolarHBondContact O-ND2 3.5Å; P493-N495 VanDerWaalsContact O-ND2 3.16Å
494	F	80.6	Confident	65.5	Low	52 Å²	52	84.3 Å²	84.3	23%	0.228	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-60.1	116.6	178.3	178.9	-96	0	0	0	110.1	I228 H335 Y336 E492 P496 H500	I228-F494 HydrophobicContact CB-CE2 4.2Å; I228-F494 HydrophobicContact CB-CZ 4.24Å; I228-F494 HydrophobicContact CG2-CE2 4.34Å; I228-F494 HydrophobicContact CG2-CZ 3.9Å; H335-F494 HydrophobicContact CB-CB 3.82Å; H335-F494 HydrophobicContact CB-CD1 3.77Å; H335-F494 HydrophobicContact CB-CG 3.86Å; H335-F494 AromaticContact CD2-CD1 3.4Å; H335-F494 VanDerWaalsContact CD2-CD1 3.4Å; H335-F494 WeakPolarHBondContact CD2-CD1 3.44Å; H335-F494 AromaticContact CD2-CE1 3.3Å; H335-F494 WeakPolarHBondContact CD2-CE1 3.21Å; H335-F494 AromaticContact CD2-CZ 3.84Å; H335-F494 AromaticContact CE1-CD2 3.98Å; H335-F494 AromaticContact CE1-CE1 3.94Å; H335-F494 AromaticContact CE1-CE2 3.7Å; H335-F494 AromaticContact CE1-CZ 3.67Å; H335-F494 AromaticContact CG-CD1 3.42Å; H335-F494 VanDerWaalsContact CG-CD1 3.42Å; H335-F494 AromaticContact CG-CE1 3.79Å; H335-F494 AromaticContact CG-CG 3.6Å; H335-F494 AromaticContact ND1-CD1 3.94Å; H335-F494 AromaticContact ND1-CD2 3.77Å; H335-F494 AromaticContact ND1-CE2 3.99Å; H335-F494 AromaticContact ND1-CG 3.74Å; H335-F494 AromaticContact NE2-CD1 3.9Å; H335-F494 AromaticContact NE2-CE1 3.41Å; H335-F494 WeakPolarHBondContact NE2-CE1 3.04Å; H335-F494 AromaticContact NE2-CE2 3.96Å; H335-F494 AromaticContact NE2-CZ 3.43Å; H335-F494 WeakPolarHBondContact NE2-CZ 3.47Å; Y336-F494 HydrophobicContact CE1-CB 4.44Å; Y336-F494 PolarHBondContact OH-O 3.26Å; E492-F494 PolarHBondContact O-N 3.39Å; F494-P496 HydrophobicContact CE1-CB 4.02Å; F494-P496 VanDerWaalsContact O-CD 3.3Å; F494-P496 WeakPolarHBondContact O-CD 3.34Å; F494-H500 AromaticContact CE1-CE1 3.58Å; F494-H500 AromaticContact CE1-ND1 3.64Å; F494-H500 AromaticContact CZ-CE1 3.59Å; F494-H500 AromaticContact CZ-ND1 3.55Å
495	N	83.4	Confident	68.8	Low	120 Å²	120	80.3 Å²	80.3	64%	0.642	42%	0.422	S	S	*	.			trans	-103.2	100.9	-178.6	-69.4	-52.6	0	0	0	109.4	P493	P493-N495 PolarHBondContact O-N 2.86Å; P493-N495 VanDerWaalsContact O-N 3.09Å; P493-N495 PolarHBondContact O-ND2 3.5Å; P493-N495 VanDerWaalsContact O-ND2 3.16Å
496	P	90.6	Very high	72.2	Confident	14 Å²	14	77.3 Å²	77.3	9%	0.091	39%	0.39	C	S	.	.			trans	-65.2	140.6	179.1	22.5	-30.5	0	0	0	112.1	Y336 F494 V501 F555 C559 W563	Y336-P496 WeakPolarHBondContact OH-CD 3.32Å; F494-P496 HydrophobicContact CE1-CB 4.02Å; F494-P496 VanDerWaalsContact O-CD 3.3Å; F494-P496 WeakPolarHBondContact O-CD 3.34Å; P496-V501 HydrophobicContact CB-CG2 4.32Å; P496-F555 HydrophobicContact CB-CE2 3.84Å; P496-F555 HydrophobicContact CB-CZ 3.88Å; P496-F555 HydrophobicContact CG-CE2 4.07Å; P496-F555 HydrophobicContact CG-CZ 4.18Å; P496-C559 VanDerWaalsContact CG-SG 3.58Å; P496-W563 HydrophobicContact CB-CZ3 4.45Å; P496-W563 HydrophobicContact CG-CZ3 4.17Å; P496-W563 WeakPolarHBondContact O-CH2 3.43Å; P496-W563 WeakPolarHBondContact O-CZ3 3.4Å
497	S	90.4	Very high	75.6	Confident	50 Å²	50	71.1 Å²	71.1	35%	0.35	35%	0.352	S	S	.	.			trans	-84.2	162.8	175	67.3	0	0	0	0	112.2	E499 H500 V501	S497-E499 VanDerWaalsContact C-N 3.27Å; S497-E499 PolarHBondContact O-N 3.21Å; S497-H500 WeakPolarHBondContact O-CB 3.36Å; S497-H500 PolarHBondContact O-N 3.42Å; S497-H500 VanDerWaalsContact O-N 3.09Å; S497-H500 WeakPolarHBondContact OG-CB 3.15Å; S497-H500 PolarHBondContact OG-N 3.46Å; S497-H500 VanDerWaalsContact OG-N 3.16Å; S497-V501 WeakPolarHBondContact O-CG2 3.19Å; S497-V501 PolarHBondContact O-N 3.18Å
498	E	91.3	Very high	78.9	Confident	86 Å²	86	63.3 Å²	63.3	40%	0.402	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-39.4	176.4	-177.1	165.6	-170.8	0	0	111.9	V501 L502 W563 A571	E498-V501 PolarHBondContact O-N 3.35Å; E498-L502 HydrophobicContact CG-CD1 4.03Å; E498-L502 VanDerWaalsContact O-CG 3.27Å; E498-L502 WeakPolarHBondContact O-CG 3.11Å; E498-L502 PolarHBondContact O-N 3.42Å; E498-W563 HydrophobicContact CB-CZ2 4.24Å; E498-A571 HydrophobicContact CG-CB 3.73Å
499	E	91.1	Very high	82	Confident	24 Å²	24	59.5 Å²	59.5	11%	0.112	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-45.8	172.2	-174.6	-171.4	173	0	0	112.1	R133 L227 R231 S497 V501 L502 V503	R133-E499 WeakPolarHBondContact CB-OE1 3.43Å; R133-E499 VanDerWaalsContact CG-OE1 3.29Å; R133-E499 WeakPolarHBondContact CG-OE1 3.17Å; R133-E499 IonicContact CZ-OE1 3.61Å; R133-E499 IonicContact CZ-OE2 3.62Å; R133-E499 VanDerWaalsContact NE-CD 3.33Å; R133-E499 IonicContact NE-OE1 3.92Å; R133-E499 PolarHBondContact NE-OE1 2.91Å; R133-E499 IonicContact NE-OE2 2.75Å; R133-E499 PolarHBondContact NE-OE2 3.15Å; R133-E499 IonicContact NH2-OE1 2.74Å; R133-E499 IonicContact NH2-OE2 3.64Å; R133-E499 PolarHBondContact NH2-OE2 3.11Å; L227-E499 HydrophobicContact CD1-CG 4.07Å; R231-E499 IonicContact CZ-OE2 3.7Å; R231-E499 IonicContact NH2-OE1 2.63Å; R231-E499 IonicContact NH2-OE2 3.57Å; R231-E499 PolarHBondContact NH2-OE2 3.25Å; S497-E499 VanDerWaalsContact C-N 3.27Å; S497-E499 PolarHBondContact O-N 3.21Å; E499-V501 PolarHBondContact O-N 3.01Å; E499-L502 PolarHBondContact O-N 3.5Å; E499-V503 PolarHBondContact O-N 3.37Å
500	H	93.6	Very high	85.1	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-47.7	177.3	-176.9	-170.5	0	0	0	111.2	L227 W332 H335 F494 S497 L502 V503 V504 F555	L227-H500 HydrophobicContact CD1-CB 4.49Å; L227-H500 HydrophobicContact CD2-CB 4.44Å; L227-H500 HydrophobicContact CG-CB 4.29Å; W332-H500 VanDerWaalsContact CA-NE2 3.34Å; W332-H500 WeakPolarHBondContact CA-NE2 3.18Å; W332-H500 VanDerWaalsContact CB-NE2 3.27Å; W332-H500 WeakPolarHBondContact CB-NE2 3.36Å; W332-H500 AromaticContact CD1-NE2 3.99Å; W332-H500 AromaticContact CG-NE2 3.77Å; W332-H500 PolarHBondContact O-CE1 2.83Å; W332-H500 PolarHBondContact O-NE2 3.33Å; W332-H500 VanDerWaalsContact O-NE2 3.1Å; H335-H500 AromaticContact NE2-CE1 3.9Å; F494-H500 AromaticContact CE1-CE1 3.58Å; F494-H500 AromaticContact CE1-ND1 3.64Å; F494-H500 AromaticContact CZ-CE1 3.59Å; F494-H500 AromaticContact CZ-ND1 3.55Å; S497-H500 WeakPolarHBondContact O-CB 3.36Å; S497-H500 PolarHBondContact O-N 3.42Å; S497-H500 VanDerWaalsContact O-N 3.09Å; S497-H500 WeakPolarHBondContact OG-CB 3.15Å; S497-H500 PolarHBondContact OG-N 3.46Å; S497-H500 VanDerWaalsContact OG-N 3.16Å; H500-L502 VanDerWaalsContact C-N 3.28Å; H500-L502 PolarHBondContact O-N 2.92Å; H500-V503 PolarHBondContact O-N 3Å; H500-V504 WeakPolarHBondContact O-CG2 3.17Å; H500-V504 PolarHBondContact O-N 3.34Å; H500-F555 AromaticContact CE1-CE2 3.89Å
501	V	95.8	Very high	88.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-37.2	177.1	173.9	0	0	0	0	111.9	P496 S497 E498 E499 V504 R505 F555 W563 A571 V572 T575	P496-V501 HydrophobicContact CB-CG2 4.32Å; S497-V501 WeakPolarHBondContact O-CG2 3.19Å; S497-V501 PolarHBondContact O-N 3.18Å; E498-V501 PolarHBondContact O-N 3.35Å; E499-V501 PolarHBondContact O-N 3.01Å; V501-V504 PolarHBondContact O-N 2.84Å; V501-R505 PolarHBondContact O-N 3.25Å; V501-F555 HydrophobicContact CG2-CE1 4.16Å; V501-F555 HydrophobicContact CG2-CZ 3.96Å; V501-W563 HydrophobicContact CB-CH2 4.42Å; V501-W563 HydrophobicContact CG2-CH2 3.62Å; V501-W563 HydrophobicContact CG2-CZ3 3.57Å; V501-A571 HydrophobicContact CB-CB 4.38Å; V501-A571 VanDerWaalsContact CG1-C 3.48Å; V501-A571 HydrophobicContact CG1-CB 3.89Å; V501-V572 HydrophobicContact CG1-CB 4.46Å; V501-V572 HydrophobicContact CG1-CG2 4.06Å; V501-V572 HydrophobicContact CG2-CG2 4.17Å; V501-T575 VanDerWaalsContact CG1-OG1 3.31Å; V501-T575 WeakPolarHBondContact CG1-OG1 3.07Å; V501-T575 PolarHBondContact O-OG1 3.49Å
502	L	95.4	Very high	90.3	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-70.9	-32.5	177.3	-70.6	166.5	0	0	0	113.2	S241 F247 E498 E499 H500 R505 L506 A571	S241-L502 VanDerWaalsContact OG-CD1 3.26Å; S241-L502 WeakPolarHBondContact OG-CD1 3.36Å; F247-L502 HydrophobicContact CE2-CB 4.23Å; E498-L502 HydrophobicContact CG-CD1 4.03Å; E498-L502 VanDerWaalsContact O-CG 3.27Å; E498-L502 WeakPolarHBondContact O-CG 3.11Å; E498-L502 PolarHBondContact O-N 3.42Å; E499-L502 PolarHBondContact O-N 3.5Å; H500-L502 VanDerWaalsContact C-N 3.28Å; H500-L502 PolarHBondContact O-N 2.92Å; L502-R505 WeakPolarHBondContact O-CB 3.15Å; L502-R505 PolarHBondContact O-N 3.09Å; L502-L506 PolarHBondContact O-N 3.5Å; L502-A571 HydrophobicContact CD2-CB 4.19Å; L502-A571 HydrophobicContact CG-CB 4.18Å
503	V	96.8	Very high	92.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-73.4	-38.2	171.8	176.1	0	0	0	0	111.3	L227 Y246 F247 V250 W332 E499 H500 R505 L506 L507	L227-V503 HydrophobicContact CD1-CB 4.49Å; L227-V503 HydrophobicContact CD1-CG2 4.03Å; L227-V503 HydrophobicContact CD2-CB 3.69Å; L227-V503 HydrophobicContact CD2-CG1 3.72Å; L227-V503 HydrophobicContact CD2-CG2 4.09Å; Y246-V503 HydrophobicContact CE1-CG2 4.35Å; F247-V503 HydrophobicContact CD2-CG2 3.7Å; F247-V503 HydrophobicContact CE2-CG2 4.13Å; V250-V503 HydrophobicContact CG1-CG1 3.97Å; V250-V503 HydrophobicContact CG2-CG1 4.49Å; W332-V503 HydrophobicContact CE3-CG1 4.16Å; W332-V503 HydrophobicContact CH2-CG1 3.61Å; W332-V503 HydrophobicContact CZ2-CG1 3.98Å; W332-V503 HydrophobicContact CZ3-CG1 3.7Å; E499-V503 PolarHBondContact O-N 3.37Å; H500-V503 PolarHBondContact O-N 3Å; V503-R505 VanDerWaalsContact C-N 3.25Å; V503-R505 PolarHBondContact O-N 3.35Å; V503-L506 WeakPolarHBondContact O-CA 3.04Å; V503-L506 VanDerWaalsContact O-CB 3.31Å; V503-L506 WeakPolarHBondContact O-CB 3.01Å; V503-L506 PolarHBondContact O-N 3.07Å; V503-L507 PolarHBondContact O-N 3.24Å
504	V	97.3	Very high	93.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-39.4	169.3	168.5	0	0	0	0	110.9	W332 L333 H500 V501 L506 L507 V508 L552 F555 T575	W332-V504 HydrophobicContact CB-CG2 4.15Å; L333-V504 HydrophobicContact CD2-CB 4.49Å; L333-V504 HydrophobicContact CD2-CG1 3.79Å; L333-V504 HydrophobicContact CD2-CG2 3.8Å; H500-V504 WeakPolarHBondContact O-CG2 3.17Å; H500-V504 PolarHBondContact O-N 3.34Å; V501-V504 PolarHBondContact O-N 2.84Å; V504-L506 VanDerWaalsContact C-N 3.35Å; V504-L506 PolarHBondContact O-N 3.27Å; V504-L507 PolarHBondContact O-N 3.09Å; V504-V508 WeakPolarHBondContact O-CG2 3.5Å; V504-V508 PolarHBondContact O-N 2.89Å; V504-L552 HydrophobicContact CG1-CD1 3.65Å; V504-F555 HydrophobicContact CB-CE1 4.46Å; V504-F555 HydrophobicContact CG1-CE1 4.17Å; V504-F555 HydrophobicContact CG2-CE1 4.34Å; V504-F555 HydrophobicContact CG2-CZ 4.07Å; V504-T575 HydrophobicContact CG1-CG2 4.06Å
505	R	97.1	Very high	94	Very high	55 Å²	55	25.8 Å²	25.8	21%	0.208	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-39.6	172	-170.5	-178.1	-176.5	-177.3	15.1	112.9	V501 L502 V503 V508 K509 E574 T575 S578	V501-R505 PolarHBondContact O-N 3.25Å; L502-R505 WeakPolarHBondContact O-CB 3.15Å; L502-R505 PolarHBondContact O-N 3.09Å; V503-R505 VanDerWaalsContact C-N 3.25Å; V503-R505 PolarHBondContact O-N 3.35Å; R505-V508 PolarHBondContact O-N 3.45Å; R505-K509 WeakPolarHBondContact O-CG 3.43Å; R505-K509 PolarHBondContact O-N 3.17Å; R505-E574 IonicContact CZ-OE2 2.71Å; R505-E574 PolarHBondContact NE-O 3.32Å; R505-E574 IonicContact NH1-OE2 2.72Å; R505-E574 PolarHBondContact NH1-OE2 3.12Å; R505-E574 PolarHBondContact NH2-O 2.86Å; R505-E574 IonicContact NH2-OE2 3.4Å; R505-E574 PolarHBondContact NH2-OE2 3.26Å; R505-T575 HydrophobicContact CB-CG2 4.11Å; R505-S578 PolarHBondContact NE-OG 3.43Å; R505-S578 PolarHBondContact NH2-OG 3.43Å
506	L	97.1	Very high	94.2	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-46.2	177.4	-179.5	62.9	0	0	0	110.9	F247 V250 D251 L254 L502 V503 V504 K509 H510	F247-L506 HydrophobicContact CD1-CD2 4.15Å; F247-L506 HydrophobicContact CD2-CD2 4.47Å; F247-L506 HydrophobicContact CE1-CD1 4.32Å; F247-L506 HydrophobicContact CE1-CD2 3.86Å; F247-L506 HydrophobicContact CE2-CB 4.33Å; F247-L506 HydrophobicContact CE2-CD2 4.2Å; F247-L506 HydrophobicContact CG-CD2 4.45Å; F247-L506 HydrophobicContact CZ-CB 4.05Å; F247-L506 HydrophobicContact CZ-CD1 4.33Å; F247-L506 HydrophobicContact CZ-CD2 3.88Å; F247-L506 HydrophobicContact CZ-CG 4.32Å; V250-L506 HydrophobicContact CB-CD2 4.22Å; V250-L506 HydrophobicContact CG1-CD2 3.93Å; D251-L506 HydrophobicContact CB-CD1 4.29Å; D251-L506 HydrophobicContact CB-CD2 3.96Å; L254-L506 HydrophobicContact CD1-CG 4.23Å; L502-L506 PolarHBondContact O-N 3.5Å; V503-L506 WeakPolarHBondContact O-CA 3.04Å; V503-L506 VanDerWaalsContact O-CB 3.31Å; V503-L506 WeakPolarHBondContact O-CB 3.01Å; V503-L506 PolarHBondContact O-N 3.07Å; V504-L506 VanDerWaalsContact C-N 3.35Å; V504-L506 PolarHBondContact O-N 3.27Å; L506-K509 PolarHBondContact O-N 3.29Å; L506-H510 PolarHBondContact O-CD2 2.94Å; L506-H510 VanDerWaalsContact O-CD2 3.31Å; L506-H510 PolarHBondContact O-N 3.06Å; L506-H510 VanDerWaalsContact O-N 3.15Å
507	L	97.8	Very high	94.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-56	-50.3	172.6	174.6	60.6	0	0	0	111.9	L254 L325 F328 V329 W332 V503 V504 K509 H510 L511	L254-L507 HydrophobicContact CD1-CB 4.42Å; L254-L507 HydrophobicContact CD1-CD1 4.48Å; L254-L507 HydrophobicContact CD2-CD1 3.77Å; L325-L507 HydrophobicContact CD2-CD1 3.59Å; F328-L507 HydrophobicContact CB-CD2 4.47Å; V329-L507 HydrophobicContact CG2-CD2 4.36Å; W332-L507 HydrophobicContact CE3-CD2 3.9Å; W332-L507 HydrophobicContact CZ3-CB 4.21Å; W332-L507 HydrophobicContact CZ3-CD2 4.07Å; V503-L507 PolarHBondContact O-N 3.24Å; V504-L507 PolarHBondContact O-N 3.09Å; L507-K509 VanDerWaalsContact C-N 3.35Å; L507-K509 PolarHBondContact O-N 3.38Å; L507-H510 PolarHBondContact O-N 3.03Å; L507-L511 HydrophobicContact CD1-CD1 3.75Å; L507-L511 HydrophobicContact CD1-CG 4Å; L507-L511 HydrophobicContact CG-CD1 3.71Å; L507-L511 HydrophobicContact CG-CG 4.42Å; L507-L511 WeakPolarHBondContact O-CB 3.5Å; L507-L511 WeakPolarHBondContact O-CD1 3.39Å; L507-L511 WeakPolarHBondContact O-CG 3.32Å; L507-L511 PolarHBondContact O-N 3.08Å
508	V	97.1	Very high	93.5	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-56.1	-44.6	177.6	164.2	0	0	0	0	112.4	V504 R505 H510 L511 H512 L552 Y579	V504-V508 WeakPolarHBondContact O-CG2 3.5Å; V504-V508 PolarHBondContact O-N 2.89Å; R505-V508 PolarHBondContact O-N 3.45Å; V508-H510 PolarHBondContact O-N 3.48Å; V508-L511 PolarHBondContact O-N 3.01Å; V508-H512 PolarHBondContact O-CD2 3.03Å; V508-H512 PolarHBondContact O-N 3.14Å; V508-H512 VanDerWaalsContact O-N 3.1Å; V508-L552 HydrophobicContact CG2-CD1 4.37Å; V508-L552 HydrophobicContact CG2-CD2 3.66Å; V508-Y579 HydrophobicContact CG1-CD2 4.02Å; V508-Y579 HydrophobicContact CG1-CG 4.43Å; V508-Y579 HydrophobicContact CG2-CD2 4.24Å
509	K	96.1	Very high	92.4	Very high	81 Å²	81	26.3 Å²	26.3	35%	0.352	13%	0.131	S	C	.	.	H	α-helix	trans	-60.6	-45.5	177.2	-70.2	166.8	60.7	-146	0	112.1	R505 L506 L507 H512 A513 Y585	R505-K509 WeakPolarHBondContact O-CG 3.43Å; R505-K509 PolarHBondContact O-N 3.17Å; L506-K509 PolarHBondContact O-N 3.29Å; L507-K509 VanDerWaalsContact C-N 3.35Å; L507-K509 PolarHBondContact O-N 3.38Å; K509-H512 PolarHBondContact O-N 3.18Å; K509-A513 PolarHBondContact O-N 3.21Å; K509-A513 VanDerWaalsContact O-N 3.08Å; K509-Y585 HydrophobicContact CB-CD1 4.39Å; K509-Y585 HydrophobicContact CB-CE1 4.06Å; K509-Y585 HydrophobicContact CG-CD1 4.5Å; K509-Y585 HydrophobicContact CG-CE1 3.7Å
510	H	96	Very high	91	Very high	23 Å²	23	31 Å²	31	11%	0.106	16%	0.164	C	C	.	.	H	α-helix	trans	-68	-41	-178.9	-80.2	-57.9	0	0	0	112	D251 L254 L258 L506 L507 V508 H512 A513 F514	D251-H510 IonicContact OD1-CD2 2.68Å; D251-H510 IonicContact OD1-CE1 2.77Å; D251-H510 PolarHBondContact OD1-CE1 3.48Å; D251-H510 IonicContact OD1-NE2 2.76Å; D251-H510 PolarHBondContact OD1-NE2 3.35Å; L254-H510 HydrophobicContact CB-CB 4.09Å; L254-H510 HydrophobicContact CD1-CB 4.37Å; L258-H510 HydrophobicContact CD1-CB 4.48Å; L506-H510 PolarHBondContact O-CD2 2.94Å; L506-H510 VanDerWaalsContact O-CD2 3.31Å; L506-H510 PolarHBondContact O-N 3.06Å; L506-H510 VanDerWaalsContact O-N 3.15Å; L507-H510 PolarHBondContact O-N 3.03Å; V508-H510 PolarHBondContact O-N 3.48Å; H510-H512 PolarHBondContact O-N 3.08Å; H510-A513 PolarHBondContact O-N 2.79Å; H510-F514 WeakPolarHBondContact O-CB 3.49Å; H510-F514 PolarHBondContact O-N 2.87Å
511	L	94.9	Very high	89.1	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-43.5	174.2	-74.1	162.5	0	0	0	112.7	L325 L507 V508 S515 V543 V544 V548	L325-L511 HydrophobicContact CD1-CD2 3.9Å; L325-L511 HydrophobicContact CD2-CD2 3.9Å; L507-L511 HydrophobicContact CD1-CD1 3.75Å; L507-L511 HydrophobicContact CD1-CG 4Å; L507-L511 HydrophobicContact CG-CD1 3.71Å; L507-L511 HydrophobicContact CG-CG 4.42Å; L507-L511 WeakPolarHBondContact O-CB 3.5Å; L507-L511 WeakPolarHBondContact O-CD1 3.39Å; L507-L511 WeakPolarHBondContact O-CG 3.32Å; L507-L511 PolarHBondContact O-N 3.08Å; V508-L511 PolarHBondContact O-N 3.01Å; L511-S515 VanDerWaalsContact O-CB 3.27Å; L511-S515 WeakPolarHBondContact O-CB 3.42Å; L511-S515 PolarHBondContact O-N 3.48Å; L511-V543 HydrophobicContact CD2-CG1 4.38Å; L511-V543 HydrophobicContact CD2-CG2 3.69Å; L511-V544 HydrophobicContact CB-CG2 4.49Å; L511-V548 HydrophobicContact CD1-CB 4.19Å; L511-V548 HydrophobicContact CD1-CG1 3.97Å; L511-V548 HydrophobicContact CD1-CG2 3.4Å; L511-V548 VanDerWaalsContact CD1-CG2 3.4Å; L511-V548 HydrophobicContact CD2-CG2 4.25Å; L511-V548 HydrophobicContact CG-CG2 4.48Å
512	H	94.2	Very high	87.1	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-66.6	-41.8	175.9	-69.3	-47.7	0	0	0	112.3	V508 K509 H510 S516 Y579 Y585 F607	V508-H512 PolarHBondContact O-CD2 3.03Å; V508-H512 PolarHBondContact O-N 3.14Å; V508-H512 VanDerWaalsContact O-N 3.1Å; K509-H512 PolarHBondContact O-N 3.18Å; H510-H512 PolarHBondContact O-N 3.08Å; H512-S516 WeakPolarHBondContact O-CB 3.43Å; H512-S516 PolarHBondContact O-N 2.95Å; H512-S516 PolarHBondContact O-OG 3.35Å; H512-Y579 AromaticContact CE1-CD2 3.93Å; H512-Y579 WeakPolarHBondContact NE2-CA 3.19Å; H512-Y579 AromaticContact NE2-CD2 3.6Å; H512-Y579 AromaticContact NE2-CG 3.89Å; H512-Y579 PolarHBondContact NE2-O 3.47Å; H512-Y585 HydrophobicContact CB-CD2 3.71Å; H512-Y585 HydrophobicContact CB-CG 3.91Å; H512-F607 AromaticContact CE1-CZ 3.88Å
513	A	93.5	Very high	84.8	Confident	16 Å²	16	46.4 Å²	46.4	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-42.1	176.9	0	0	0	0	0	112.1	I260 K509 H510 S517 Y585	I260-A513 HydrophobicContact CD1-CB 3.7Å; I260-A513 HydrophobicContact CG1-CB 4.22Å; K509-A513 PolarHBondContact O-N 3.21Å; K509-A513 VanDerWaalsContact O-N 3.08Å; H510-A513 PolarHBondContact O-N 2.79Å; A513-S517 WeakPolarHBondContact O-CB 3.41Å; A513-S517 PolarHBondContact O-N 3.35Å; A513-Y585 WeakPolarHBondContact CA-O 3.18Å
514	F	92.9	Very high	82.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-49	176.8	-179.2	-115.9	0	0	0	112.1	L258 P259 H510 S517 L536 F539 K540 V543	L258-F514 HydrophobicContact CB-CB 4.12Å; L258-F514 HydrophobicContact CB-CD1 4.36Å; L258-F514 HydrophobicContact CB-CD2 3.72Å; L258-F514 HydrophobicContact CB-CE2 4.14Å; L258-F514 HydrophobicContact CB-CG 3.83Å; L258-F514 HydrophobicContact CD2-CD1 4.2Å; L258-F514 HydrophobicContact CD2-CE1 4.07Å; L258-F514 HydrophobicContact CD2-CG 4.5Å; L258-F514 HydrophobicContact CD2-CZ 4.24Å; L258-F514 WeakPolarHBondContact O-CD2 3.49Å; P259-F514 HydrophobicContact CG-CE2 4.28Å; P259-F514 WeakPolarHBondContact O-CD2 3.27Å; P259-F514 WeakPolarHBondContact O-CE2 3.42Å; H510-F514 WeakPolarHBondContact O-CB 3.49Å; H510-F514 PolarHBondContact O-N 2.87Å; F514-S517 WeakPolarHBondContact O-CB 3.3Å; F514-S517 PolarHBondContact O-N 2.9Å; F514-S517 PolarHBondContact O-OG 3.33Å; F514-L536 HydrophobicContact CE2-CD1 4.27Å; F514-L536 HydrophobicContact CZ-CD1 3.94Å; F514-F539 AromaticContact CE1-CD1 3.75Å; F514-F539 HydrophobicContact CE1-CD1 3.75Å; F514-F539 AromaticContact CE1-CE1 3.73Å; F514-F539 HydrophobicContact CE1-CE1 3.73Å; F514-F539 AromaticContact CZ-CD1 3.73Å; F514-F539 HydrophobicContact CZ-CD1 3.73Å; F514-F539 AromaticContact CZ-CE1 3.84Å; F514-F539 HydrophobicContact CZ-CE1 3.84Å; F514-K540 HydrophobicContact CD1-CG 3.94Å; F514-K540 HydrophobicContact CD2-CD 4.39Å; F514-K540 HydrophobicContact CD2-CG 4.07Å; F514-K540 HydrophobicContact CE1-CB 4.41Å; F514-K540 HydrophobicContact CE1-CG 3.57Å; F514-K540 HydrophobicContact CE2-CD 4.13Å; F514-K540 HydrophobicContact CE2-CG 3.73Å; F514-K540 HydrophobicContact CG-CG 4.18Å; F514-K540 HydrophobicContact CZ-CD 4.32Å; F514-K540 HydrophobicContact CZ-CG 3.46Å; F514-K540 VanDerWaalsContact CZ-CG 3.46Å; F514-V543 HydrophobicContact CD1-CG1 4.16Å; F514-V543 HydrophobicContact CE1-CG1 4.47Å
515	S	90.8	Very high	79.9	Confident	28 Å²	28	57.5 Å²	57.5	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-67.9	-36.2	177.9	-168	0	0	0	0	112.2	L511 S517 L518 K540	L511-S515 VanDerWaalsContact O-CB 3.27Å; L511-S515 WeakPolarHBondContact O-CB 3.42Å; L511-S515 PolarHBondContact O-N 3.48Å; S515-S517 PolarHBondContact O-N 3.45Å; S515-L518 WeakPolarHBondContact O-CG 3.46Å; S515-K540 WeakPolarHBondContact CB-O 3.41Å; S515-K540 PolarHBondContact OG-O 3.45Å
516	S	88.7	Confident	77.8	Confident	29 Å²	29	61.6 Å²	61.6	20%	0.203	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	0.7	175.4	-51.1	0	0	0	0	114.4	H512 L518	H512-S516 WeakPolarHBondContact O-CB 3.43Å; H512-S516 PolarHBondContact O-N 2.95Å; H512-S516 PolarHBondContact O-OG 3.35Å; S516-L518 VanDerWaalsContact C-N 3.35Å
517	S	87.6	Confident	75.5	Confident	23 Å²	23	65 Å²	65	16%	0.161	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.8	178.8	74.3	0	0	0	0	114.1	I260 A513 F514 S515 K519 K540	I260-S517 VanDerWaalsContact O-CB 3.28Å; I260-S517 WeakPolarHBondContact O-CB 3.31Å; I260-S517 PolarHBondContact O-OG 2.96Å; A513-S517 WeakPolarHBondContact O-CB 3.41Å; A513-S517 PolarHBondContact O-N 3.35Å; F514-S517 WeakPolarHBondContact O-CB 3.3Å; F514-S517 PolarHBondContact O-N 2.9Å; F514-S517 PolarHBondContact O-OG 3.33Å; S515-S517 PolarHBondContact O-N 3.45Å; S517-K519 PolarHBondContact O-N 3.38Å; S517-K540 VanDerWaalsContact OG-CE 3.28Å; S517-K540 WeakPolarHBondContact OG-CE 3.44Å; S517-K540 PolarHBondContact OG-NZ 3.04Å
518	L	79.1	Confident	73.1	Confident	58 Å²	58	73.1 Å²	73.1	30%	0.304	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-56.5	124.6	171.2	-71.2	172.5	0	0	0	110.1	S515 S516 E537 K540 R541	S515-L518 WeakPolarHBondContact O-CG 3.46Å; S516-L518 VanDerWaalsContact C-N 3.35Å; L518-E537 HydrophobicContact CD2-CB 3.69Å; L518-E537 HydrophobicContact CD2-CG 3.78Å; L518-E537 WeakPolarHBondContact CD2-O 3.47Å; L518-K540 HydrophobicContact CD2-CB 3.68Å; L518-K540 HydrophobicContact CD2-CD 4.21Å; L518-K540 HydrophobicContact CG-CB 4.06Å; L518-R541 HydrophobicContact CD1-CB 4.5Å
519	K	68	Low	70.7	Confident	171 Å²	171	77.4 Å²	77.4	74%	0.743	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-73.4	141	173.9	-67.9	178.3	-179.2	174.9	0	108.8	S517 E521	S517-K519 PolarHBondContact O-N 3.38Å; K519-E521 PolarHBondContact O-N 3.47Å
520	P	61	Low	68.4	Low	124 Å²	124	78.1 Å²	78.1	81%	0.805	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-59.6	134.5	166.2	-20	32.3	0	0	0	109.6
521	E	53.9	Low	66.2	Low	120 Å²	120	80.4 Å²	80.4	56%	0.561	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-60.8	138.5	169.5	-76.3	-165.6	129.5	0	0	109.9	K519 P531	K519-E521 PolarHBondContact O-N 3.47Å; E521-P531 WeakPolarHBondContact OE1-CB 3.42Å
522	P	53.4	Low	64.4	Low	109 Å²	109	88.3 Å²	88.3	71%	0.708	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-63.6	144.5	165.8	29.6	-33.6	0	0	0	109.3	L524	P522-L524 PolarHBondContact O-N 2.9Å
523	P	46.8	Very low	63	Low	122 Å²	122	91.4 Å²	91.4	79%	0.792	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.7	133.6	-178.3	24	-33.7	0	0	0	111.3	S525	P523-S525 PolarHBondContact O-N 3.14Å; P523-S525 VanDerWaalsContact O-N 3.1Å
524	L	47.2	Very low	62.4	Low	137 Å²	137	92.4 Å²	92.4	72%	0.717	54%	0.543	S	S	*	.			trans	-54.1	110.4	-173.4	-73.8	159.4	0	0	0	112.7	P522	P522-L524 PolarHBondContact O-N 2.9Å
525	S	45.4	Very low	61.9	Low	97 Å²	97	95.2 Å²	95.2	68%	0.678	56%	0.561	S	S	*	*			trans	-70.7	126.8	164.5	-68.6	0	0	0	0	109.3	P523 A527	P523-S525 PolarHBondContact O-N 3.14Å; P523-S525 VanDerWaalsContact O-N 3.1Å; S525-A527 PolarHBondContact O-N 3.02Å
526	P	51.3	Low	61.5	Low	141 Å²	141	94.6 Å²	94.6	92%	0.916	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	30.5	-160.5	33	-39.5	0	0	0	115.5
527	A	49.9	Very low	61.3	Low	76 Å²	76	96.1 Å²	96.1	63%	0.628	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-7.8	-165.5	0	0	0	0	0	116.2	S525	S525-A527 PolarHBondContact O-N 3.02Å
528	H	46.4	Very low	61.2	Low	172 Å²	172	97.7 Å²	97.7	80%	0.796	56%	0.564	S	S	*	*	S	Bend	trans	-132.7	168.3	-173	-66.6	-49.3	0	0	0	114.1
529	S	46.6	Very low	61.6	Low	93 Å²	93	95.4 Å²	95.4	65%	0.65	55%	0.552	S	S	*	*			trans	-50.2	156.5	-176.4	46	0	0	0	0	114.2
530	P	48.8	Very low	62.7	Low	96 Å²	96	87.8 Å²	87.8	62%	0.623	52%	0.519	S	S	*	.			trans	-50.8	142.1	176.9	22.5	-35.4	0	0	0	111.7	H532	P530-H532 PolarHBondContact O-N 2.95Å
531	P	48.8	Very low	63.9	Low	71 Å²	71	88.3 Å²	88.3	46%	0.461	51%	0.505	S	S	.	.			trans	-63.4	111.3	-178.2	25.2	-33.2	0	0	0	110	E521 T533	E521-P531 WeakPolarHBondContact OE1-CB 3.42Å; P531-T533 VanDerWaalsContact C-N 3.31Å; P531-T533 PolarHBondContact O-N 3.34Å
532	H	57	Low	65.4	Low	168 Å²	168	83.7 Å²	83.7	78%	0.778	49%	0.485	S	S	*	.			trans	-74.6	88.9	167.5	-71.3	-79.8	0	0	0	107.9	P530 S534	P530-H532 PolarHBondContact O-N 2.95Å; H532-S534 PolarHBondContact O-N 2.76Å
533	T	66.3	Low	67	Low	68 Å²	68	78.5 Å²	78.5	42%	0.417	45%	0.451	S	S	.	.			trans	-53	135.5	172.8	48.9	0	0	0	0	109.8	P531	P531-T533 VanDerWaalsContact C-N 3.31Å; P531-T533 PolarHBondContact O-N 3.34Å
534	S	79.9	Confident	68.8	Low	37 Å²	37	73.1 Å²	73.1	26%	0.259	42%	0.416	S	S	.	.			trans	-67.3	144.8	-176.7	69.9	0	0	0	0	110.3	H532 L536 E537 E538	H532-S534 PolarHBondContact O-N 2.76Å; S534-L536 PolarHBondContact O-N 2.83Å; S534-E537 VanDerWaalsContact CB-OE2 3.28Å; S534-E537 WeakPolarHBondContact CB-OE2 3.25Å; S534-E537 PolarHBondContact N-OE2 3.42Å; S534-E537 VanDerWaalsContact N-OE2 3.12Å; S534-E537 PolarHBondContact O-N 3.01Å; S534-E537 WeakPolarHBondContact OG-CB 3.34Å; S534-E537 WeakPolarHBondContact OG-CG 3.49Å; S534-E537 PolarHBondContact OG-N 3.35Å; S534-E537 PolarHBondContact OG-OE2 3.14Å; S534-E538 PolarHBondContact O-N 3.41Å
535	P	82.7	Confident	70.5	Confident	59 Å²	59	70.7 Å²	70.7	38%	0.383	40%	0.401	S	S	.	.	H	α-helix	trans	-56.4	-26.3	177	-30.4	39.4	0	0	0	113.5	A315 I318 F539	A315-P535 HydrophobicContact CB-CB 3.96Å; A315-P535 HydrophobicContact CB-CG 3.83Å; I318-P535 VanDerWaalsContact CD1-C 3.49Å; I318-P535 HydrophobicContact CD1-CB 3.77Å; P535-F539 WeakPolarHBondContact O-CB 3.43Å; P535-F539 PolarHBondContact O-N 3.26Å
536	L	83.6	Confident	72.1	Confident	16 Å²	16	70.8 Å²	70.8	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-73.6	-36.7	174.7	-178.8	55.5	0	0	0	112.6	V264 I318 F514 S534 F539 K540	V264-L536 HydrophobicContact CG1-CD1 3.91Å; I318-L536 HydrophobicContact CD1-CB 4Å; I318-L536 HydrophobicContact CG1-CD1 4.43Å; F514-L536 HydrophobicContact CE2-CD1 4.27Å; F514-L536 HydrophobicContact CZ-CD1 3.94Å; S534-L536 PolarHBondContact O-N 2.83Å; L536-F539 HydrophobicContact CD1-CD1 4.34Å; L536-K540 WeakPolarHBondContact O-CB 3.33Å; L536-K540 VanDerWaalsContact O-CG 3.3Å; L536-K540 WeakPolarHBondContact O-CG 3.34Å; L536-K540 PolarHBondContact O-N 3.22Å
537	E	84.5	Confident	73.3	Confident	61 Å²	61	65 Å²	65	29%	0.285	35%	0.347	S	S	.	.	H	α-helix	trans	-70.1	-39.3	174.6	-73.9	161	142.1	0	0	111.4	L518 S534 K540 R541	L518-E537 HydrophobicContact CD2-CB 3.69Å; L518-E537 HydrophobicContact CD2-CG 3.78Å; L518-E537 WeakPolarHBondContact CD2-O 3.47Å; S534-E537 VanDerWaalsContact CB-OE2 3.28Å; S534-E537 WeakPolarHBondContact CB-OE2 3.25Å; S534-E537 PolarHBondContact N-OE2 3.42Å; S534-E537 VanDerWaalsContact N-OE2 3.12Å; S534-E537 PolarHBondContact O-N 3.01Å; S534-E537 WeakPolarHBondContact OG-CB 3.34Å; S534-E537 WeakPolarHBondContact OG-CG 3.49Å; S534-E537 PolarHBondContact OG-N 3.35Å; S534-E537 PolarHBondContact OG-OE2 3.14Å; E537-K540 PolarHBondContact O-N 3.15Å; E537-R541 WeakPolarHBondContact O-CB 3.34Å; E537-R541 PolarHBondContact O-N 3.46Å
538	E	85.3	Confident	75	Confident	55 Å²	55	61.5 Å²	61.5	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-66.9	-39	174.3	-171.7	54.6	-156.8	0	0	111.7	I303 S534 R541 V542	I303-E538 HydrophobicContact CD1-CG 3.88Å; S534-E538 PolarHBondContact O-N 3.41Å; E538-R541 WeakPolarHBondContact O-CB 3.4Å; E538-R541 PolarHBondContact O-N 3.39Å; E538-R541 WeakPolarHBondContact OE2-CD 3.25Å; E538-R541 IonicContact OE2-CZ 2.62Å; E538-R541 IonicContact OE2-NE 3.72Å; E538-R541 PolarHBondContact OE2-NE 3.23Å; E538-V542 PolarHBondContact O-N 2.94Å; E538-V542 WeakPolarHBondContact OE1-CG1 3.49Å
539	F	87.5	Confident	76.9	Confident	10 Å²	10	55.5 Å²	55.5	4%	0.044	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-47.7	170.1	-178.4	-117.5	0	0	0	111.8	I318 E322 L325 F514 P535 L536 R541 V542 V543 F547	I318-F539 HydrophobicContact CG2-CB 4.29Å; I318-F539 HydrophobicContact CG2-CD1 4.02Å; I318-F539 HydrophobicContact CG2-CD2 4.24Å; I318-F539 HydrophobicContact CG2-CE1 4.39Å; I318-F539 HydrophobicContact CG2-CG 3.94Å; E322-F539 HydrophobicContact CB-CE2 3.85Å; E322-F539 HydrophobicContact CB-CZ 4.05Å; E322-F539 HydrophobicContact CG-CE2 4.17Å; L325-F539 HydrophobicContact CD1-CZ 4.07Å; F514-F539 AromaticContact CE1-CD1 3.75Å; F514-F539 HydrophobicContact CE1-CD1 3.75Å; F514-F539 AromaticContact CE1-CE1 3.73Å; F514-F539 HydrophobicContact CE1-CE1 3.73Å; F514-F539 AromaticContact CZ-CD1 3.73Å; F514-F539 HydrophobicContact CZ-CD1 3.73Å; F514-F539 AromaticContact CZ-CE1 3.84Å; F514-F539 HydrophobicContact CZ-CE1 3.84Å; P535-F539 WeakPolarHBondContact O-CB 3.43Å; P535-F539 PolarHBondContact O-N 3.26Å; L536-F539 HydrophobicContact CD1-CD1 4.34Å; F539-R541 VanDerWaalsContact C-N 3.25Å; F539-R541 PolarHBondContact O-N 3.07Å; F539-V542 PolarHBondContact O-N 2.91Å; F539-V543 HydrophobicContact CZ-CG2 4.44Å; F539-V543 VanDerWaalsContact O-CB 3.29Å; F539-V543 WeakPolarHBondContact O-CB 3.3Å; F539-V543 PolarHBondContact O-N 3Å; F539-F547 AromaticContact CE2-CE2 3.99Å; F539-F547 HydrophobicContact CE2-CE2 3.99Å
540	K	89.4	Confident	78.8	Confident	12 Å²	12	57.2 Å²	57.2	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-32.2	174.8	-79.9	175.6	177.3	-169.5	0	113.3	P259 F514 S515 S517 L518 L536 E537	P259-K540 VanDerWaalsContact O-CE 3.23Å; P259-K540 WeakPolarHBondContact O-CE 3.38Å; P259-K540 PolarHBondContact O-NZ 2.82Å; F514-K540 HydrophobicContact CD1-CG 3.94Å; F514-K540 HydrophobicContact CD2-CD 4.39Å; F514-K540 HydrophobicContact CD2-CG 4.07Å; F514-K540 HydrophobicContact CE1-CB 4.41Å; F514-K540 HydrophobicContact CE1-CG 3.57Å; F514-K540 HydrophobicContact CE2-CD 4.13Å; F514-K540 HydrophobicContact CE2-CG 3.73Å; F514-K540 HydrophobicContact CG-CG 4.18Å; F514-K540 HydrophobicContact CZ-CD 4.32Å; F514-K540 HydrophobicContact CZ-CG 3.46Å; F514-K540 VanDerWaalsContact CZ-CG 3.46Å; S515-K540 WeakPolarHBondContact CB-O 3.41Å; S515-K540 PolarHBondContact OG-O 3.45Å; S517-K540 VanDerWaalsContact OG-CE 3.28Å; S517-K540 WeakPolarHBondContact OG-CE 3.44Å; S517-K540 PolarHBondContact OG-NZ 3.04Å; L518-K540 HydrophobicContact CD2-CB 3.68Å; L518-K540 HydrophobicContact CD2-CD 4.21Å; L518-K540 HydrophobicContact CG-CB 4.06Å; L536-K540 WeakPolarHBondContact O-CB 3.33Å; L536-K540 VanDerWaalsContact O-CG 3.3Å; L536-K540 WeakPolarHBondContact O-CG 3.34Å; L536-K540 PolarHBondContact O-N 3.22Å; E537-K540 PolarHBondContact O-N 3.15Å
541	R	86.8	Confident	80.7	Confident	134 Å²	134	54.2 Å²	54.2	51%	0.506	27%	0.265	S	S	.	.	H	α-helix	trans	-69.1	-53.9	175.6	-170.7	-167.6	-57.5	-81.1	-2.2	111.5	L518 E537 E538 F539	L518-R541 HydrophobicContact CD1-CB 4.5Å; E537-R541 WeakPolarHBondContact O-CB 3.34Å; E537-R541 PolarHBondContact O-N 3.46Å; E538-R541 WeakPolarHBondContact O-CB 3.4Å; E538-R541 PolarHBondContact O-N 3.39Å; E538-R541 WeakPolarHBondContact OE2-CD 3.25Å; E538-R541 IonicContact OE2-CZ 2.62Å; E538-R541 IonicContact OE2-NE 3.72Å; E538-R541 PolarHBondContact OE2-NE 3.23Å; F539-R541 VanDerWaalsContact C-N 3.25Å; F539-R541 PolarHBondContact O-N 3.07Å
542	V	85.6	Confident	82.8	Confident	24 Å²	24	50.9 Å²	50.9	15%	0.145	24%	0.243	C	C	.	.	H	α-helix	trans	-83.2	-17.1	-170.9	-55.2	0	0	0	0	114.6	E538 F539 V544 Q545 R546	E538-V542 PolarHBondContact O-N 2.94Å; E538-V542 WeakPolarHBondContact OE1-CG1 3.49Å; F539-V542 PolarHBondContact O-N 2.91Å; V542-V544 PolarHBondContact O-N 2.95Å; V542-Q545 PolarHBondContact O-N 3.5Å; V542-R546 HydrophobicContact CB-CB 4.34Å; V542-R546 HydrophobicContact CG2-CB 4.46Å; V542-R546 VanDerWaalsContact O-CB 3.25Å; V542-R546 WeakPolarHBondContact O-CB 3.36Å; V542-R546 PolarHBondContact O-N 3.16Å
543	V	86.9	Confident	84.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-53.9	-42.5	-166.5	68.1	0	0	0	0	114.9	L325 L511 F514 F539 F547	L325-V543 HydrophobicContact CD1-CG2 3.33Å; L511-V543 HydrophobicContact CD2-CG1 4.38Å; L511-V543 HydrophobicContact CD2-CG2 3.69Å; F514-V543 HydrophobicContact CD1-CG1 4.16Å; F514-V543 HydrophobicContact CE1-CG1 4.47Å; F539-V543 HydrophobicContact CZ-CG2 4.44Å; F539-V543 VanDerWaalsContact O-CB 3.29Å; F539-V543 WeakPolarHBondContact O-CB 3.3Å; F539-V543 PolarHBondContact O-N 3Å; V543-F547 HydrophobicContact CG2-CD2 4.07Å; V543-F547 WeakPolarHBondContact O-CD2 3.38Å; V543-F547 PolarHBondContact O-N 3.26Å
544	V	85.3	Confident	85.6	Confident	9 Å²	9	42 Å²	42	6%	0.055	20%	0.196	C	C	.	.	I	π-helix	trans	-72.4	-47.4	-176.6	-176.1	0	0	0	0	110.9	L511 V542 V548 Q549 Y579 F607	L511-V544 HydrophobicContact CB-CG2 4.49Å; V542-V544 PolarHBondContact O-N 2.95Å; V544-V548 PolarHBondContact O-N 3.28Å; V544-V548 VanDerWaalsContact O-N 3.16Å; V544-Q549 PolarHBondContact O-N 3.47Å; V544-Y579 HydrophobicContact CG1-CE2 3.9Å; V544-Y579 WeakPolarHBondContact CG1-OH 3.43Å; V544-F607 HydrophobicContact CG1-CE2 4.39Å
545	Q	82.4	Confident	86.2	Confident	86 Å²	86	40.2 Å²	40.2	40%	0.402	18%	0.184	S	C	.	.	I	π-helix	trans	-64	-53.4	178.9	-64.1	172.6	-7.9	0	0	111.3	V542 F547 E610	V542-Q545 PolarHBondContact O-N 3.5Å; Q545-F547 PolarHBondContact O-N 2.89Å; Q545-E610 PolarHBondContact NE2-OE1 2.99Å; Q545-E610 PolarHBondContact NE2-OE2 3.5Å
546	R	79.1	Confident	86.8	Confident	99 Å²	99	37.4 Å²	37.4	37%	0.374	17%	0.166	S	C	.	.	I	π-helix	trans	-69.9	-34.6	-168.7	-179.1	173.5	166.7	-150.4	-18.7	113.9	E322 V542	E322-R546 IonicContact OE1-CZ 2.7Å; E322-R546 IonicContact OE1-NH1 3.21Å; E322-R546 IonicContact OE1-NH2 3.36Å; E322-R546 PolarHBondContact OE1-NH2 2.95Å; V542-R546 HydrophobicContact CB-CB 4.34Å; V542-R546 HydrophobicContact CG2-CB 4.46Å; V542-R546 VanDerWaalsContact O-CB 3.25Å; V542-R546 WeakPolarHBondContact O-CB 3.36Å; V542-R546 PolarHBondContact O-N 3.16Å
547	F	77.1	Confident	87.1	Confident	20 Å²	20	39 Å²	39	9%	0.088	17%	0.173	C	C	.	.	I	π-helix	trans	-108.4	-46.3	-176.1	-57.9	-74.2	0	0	0	113	E322 Q326 V329 F539 V543 Q545	E322-F547 HydrophobicContact CG-CE1 4.3Å; E322-F547 HydrophobicContact CG-CZ 3.83Å; E322-F547 VanDerWaalsContact OE1-CZ 3.31Å; E322-F547 WeakPolarHBondContact OE1-CZ 3.49Å; Q326-F547 HydrophobicContact CG-CD1 4Å; Q326-F547 HydrophobicContact CG-CE1 3.68Å; V329-F547 VanDerWaalsContact CG1-O 3.25Å; V329-F547 WeakPolarHBondContact CG1-O 3.31Å; V329-F547 HydrophobicContact CG2-CB 4.33Å; F539-F547 AromaticContact CE2-CE2 3.99Å; F539-F547 HydrophobicContact CE2-CE2 3.99Å; V543-F547 HydrophobicContact CG2-CD2 4.07Å; V543-F547 WeakPolarHBondContact O-CD2 3.38Å; V543-F547 PolarHBondContact O-N 3.26Å; Q545-F547 PolarHBondContact O-N 2.89Å
548	V	84.6	Confident	87.4	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	16%	0.163	C	C	.	.	I	π-helix	trans	-100.8	-43.8	-156.5	176.5	0	0	0	0	112.7	V329 L333 L511 V544 Q550 K551 L552	V329-V548 HydrophobicContact CG2-CG2 3.63Å; L333-V548 HydrophobicContact CD1-CG1 4.44Å; L511-V548 HydrophobicContact CD1-CB 4.19Å; L511-V548 HydrophobicContact CD1-CG1 3.97Å; L511-V548 HydrophobicContact CD1-CG2 3.4Å; L511-V548 VanDerWaalsContact CD1-CG2 3.4Å; L511-V548 HydrophobicContact CD2-CG2 4.25Å; L511-V548 HydrophobicContact CG-CG2 4.48Å; V544-V548 PolarHBondContact O-N 3.28Å; V544-V548 VanDerWaalsContact O-N 3.16Å; V548-Q550 PolarHBondContact O-N 3.39Å; V548-K551 PolarHBondContact O-N 3.48Å; V548-L552 HydrophobicContact CG1-CB 4.09Å; V548-L552 HydrophobicContact CG1-CD2 4.13Å; V548-L552 VanDerWaalsContact O-CB 3.23Å; V548-L552 WeakPolarHBondContact O-CB 3.25Å; V548-L552 PolarHBondContact O-N 3.02Å
549	Q	87.1	Confident	87.8	Confident	46 Å²	46	34.3 Å²	34.3	22%	0.215	15%	0.151	C	C	.	.	H	α-helix	trans	-48.7	-58.7	-167.5	-179.1	-176.3	53.8	0	0	113.9	V544 Y553 E610 N611	V544-Q549 PolarHBondContact O-N 3.47Å; Q549-Y553 WeakPolarHBondContact O-CB 3.48Å; Q549-Y553 PolarHBondContact O-N 2.98Å; Q549-E610 PolarHBondContact NE2-O 3.09Å; Q549-N611 WeakPolarHBondContact CG-OD1 3.41Å; Q549-N611 VanDerWaalsContact NE2-CG 3.29Å; Q549-N611 PolarHBondContact NE2-ND2 3.48Å; Q549-N611 PolarHBondContact NE2-OD1 3.35Å
550	Q	86.3	Confident	88	Confident	130 Å²	130	34.3 Å²	34.3	61%	0.607	15%	0.151	S	C	*	.	H	α-helix	trans	-65.4	-45.1	-175.4	-172.2	-171.6	17.5	0	0	112.4	V548 Y553 L554	V548-Q550 PolarHBondContact O-N 3.39Å; Q550-Y553 WeakPolarHBondContact O-CB 3.45Å; Q550-Y553 PolarHBondContact O-N 3.42Å; Q550-L554 WeakPolarHBondContact O-CG 3.11Å; Q550-L554 PolarHBondContact O-N 3.2Å; Q550-L554 VanDerWaalsContact O-N 3.14Å
551	K	88.9	Confident	88	Confident	33 Å²	33	36.4 Å²	36.4	14%	0.143	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-39.2	-177.4	-68.1	171.6	177.4	171	0	111.1	V329 E330 L333 H334 V548 L554 F555	V329-K551 HydrophobicContact CG1-CD 3.6Å; E330-K551 IonicContact OE2-NZ 3.04Å; E330-K551 PolarHBondContact OE2-NZ 2.73Å; L333-K551 HydrophobicContact CB-CB 3.73Å; L333-K551 HydrophobicContact CD1-CB 4.39Å; H334-K551 HydrophobicContact CB-CD 4.11Å; V548-K551 PolarHBondContact O-N 3.48Å; K551-L554 PolarHBondContact O-N 3.35Å; K551-F555 WeakPolarHBondContact O-CB 3.4Å; K551-F555 PolarHBondContact O-N 2.98Å
552	L	93.1	Very high	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.5	-38	173.6	-174.9	65.7	0	0	0	112.3	L333 V504 V508 V548 F555 L556 Y579	L333-L552 HydrophobicContact CD1-CB 4.17Å; L333-L552 HydrophobicContact CD1-CD1 4.49Å; L333-L552 HydrophobicContact CD2-CD1 4.07Å; V504-L552 HydrophobicContact CG1-CD1 3.65Å; V508-L552 HydrophobicContact CG2-CD1 4.37Å; V508-L552 HydrophobicContact CG2-CD2 3.66Å; V548-L552 HydrophobicContact CG1-CB 4.09Å; V548-L552 HydrophobicContact CG1-CD2 4.13Å; V548-L552 VanDerWaalsContact O-CB 3.23Å; V548-L552 WeakPolarHBondContact O-CB 3.25Å; V548-L552 PolarHBondContact O-N 3.02Å; L552-F555 HydrophobicContact CD1-CD1 4.43Å; L552-F555 PolarHBondContact O-N 3.32Å; L552-L556 HydrophobicContact CD1-CD1 4.16Å; L552-L556 HydrophobicContact CD1-CG 4.06Å; L552-L556 HydrophobicContact CD2-CD1 4.45Å; L552-L556 HydrophobicContact CG-CD1 3.92Å; L552-L556 HydrophobicContact CG-CG 4.23Å; L552-L556 WeakPolarHBondContact O-CB 3.2Å; L552-L556 WeakPolarHBondContact O-CG 3.4Å; L552-L556 PolarHBondContact O-N 3.23Å; L552-Y579 HydrophobicContact CD2-CD2 3.21Å; L552-Y579 HydrophobicContact CD2-CE2 3.62Å; L552-Y579 HydrophobicContact CD2-CG 3.81Å
553	Y	92.1	Very high	88.4	Confident	27 Å²	27	35.1 Å²	35.1	11%	0.106	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-49.6	173.5	175.4	-87.6	0	0	0	111.5	Q549 Q550 L556 Q557 L613 L614 L618	Q549-Y553 WeakPolarHBondContact O-CB 3.48Å; Q549-Y553 PolarHBondContact O-N 2.98Å; Q550-Y553 WeakPolarHBondContact O-CB 3.45Å; Q550-Y553 PolarHBondContact O-N 3.42Å; Y553-L556 PolarHBondContact O-N 2.86Å; Y553-Q557 WeakPolarHBondContact O-CB 3.35Å; Y553-Q557 PolarHBondContact O-N 3.38Å; Y553-Q557 PolarHBondContact OH-OE1 3.37Å; Y553-L613 HydrophobicContact CD2-CB 4.02Å; Y553-L613 HydrophobicContact CE2-CB 3.43Å; Y553-L613 VanDerWaalsContact CE2-CB 3.43Å; Y553-L613 HydrophobicContact CE2-CD1 4.45Å; Y553-L614 HydrophobicContact CD2-CD2 3.57Å; Y553-L614 HydrophobicContact CD2-CG 3.9Å; Y553-L614 HydrophobicContact CE2-CD2 4.49Å; Y553-L614 HydrophobicContact CG-CD2 4.28Å; Y553-L618 HydrophobicContact CE2-CG 4.46Å
554	L	90.1	Very high	88.7	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.115	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-45.1	178.5	-67	173.1	0	0	0	111.9	Y341 Q550 K551 Q557 H558	Y341-L554 HydrophobicContact CD2-CD2 3.48Å; Y341-L554 VanDerWaalsContact CD2-CD2 3.48Å; Y341-L554 HydrophobicContact CE2-CD2 3.84Å; Y341-L554 HydrophobicContact CG-CD2 3.86Å; Q550-L554 WeakPolarHBondContact O-CG 3.11Å; Q550-L554 PolarHBondContact O-N 3.2Å; Q550-L554 VanDerWaalsContact O-N 3.14Å; K551-L554 PolarHBondContact O-N 3.35Å; L554-Q557 PolarHBondContact O-N 3.06Å; L554-H558 WeakPolarHBondContact O-CB 3.24Å; L554-H558 PolarHBondContact O-N 3.13Å
555	F	93.1	Very high	88.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-50	176.1	177.7	-87.8	0	0	0	112.2	L333 Y336 P496 H500 V501 V504 K551 L552 H558 C559	L333-F555 HydrophobicContact CD2-CB 3.97Å; L333-F555 HydrophobicContact CD2-CD1 4.07Å; L333-F555 HydrophobicContact CD2-CD2 3.89Å; L333-F555 HydrophobicContact CD2-CE2 4.38Å; L333-F555 HydrophobicContact CD2-CG 3.72Å; Y336-F555 HydrophobicContact CE2-CD2 4.29Å; P496-F555 HydrophobicContact CB-CE2 3.84Å; P496-F555 HydrophobicContact CB-CZ 3.88Å; P496-F555 HydrophobicContact CG-CE2 4.07Å; P496-F555 HydrophobicContact CG-CZ 4.18Å; H500-F555 AromaticContact CE1-CE2 3.89Å; V501-F555 HydrophobicContact CG2-CE1 4.16Å; V501-F555 HydrophobicContact CG2-CZ 3.96Å; V504-F555 HydrophobicContact CB-CE1 4.46Å; V504-F555 HydrophobicContact CG1-CE1 4.17Å; V504-F555 HydrophobicContact CG2-CE1 4.34Å; V504-F555 HydrophobicContact CG2-CZ 4.07Å; K551-F555 WeakPolarHBondContact O-CB 3.4Å; K551-F555 PolarHBondContact O-N 2.98Å; L552-F555 HydrophobicContact CD1-CD1 4.43Å; L552-F555 PolarHBondContact O-N 3.32Å; F555-H558 PolarHBondContact O-N 3.45Å; F555-C559 PolarHBondContact O-N 3.38Å; F555-C559 PolarHBondContact O-SG 2.85Å
556	L	94.4	Very high	89.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-44.6	178.2	-72.1	175.2	0	0	0	111.3	L552 Y553 H558 C559 F560 V572 T575 W576 L614 L618	L552-L556 HydrophobicContact CD1-CD1 4.16Å; L552-L556 HydrophobicContact CD1-CG 4.06Å; L552-L556 HydrophobicContact CD2-CD1 4.45Å; L552-L556 HydrophobicContact CG-CD1 3.92Å; L552-L556 HydrophobicContact CG-CG 4.23Å; L552-L556 WeakPolarHBondContact O-CB 3.2Å; L552-L556 WeakPolarHBondContact O-CG 3.4Å; L552-L556 PolarHBondContact O-N 3.23Å; Y553-L556 PolarHBondContact O-N 2.86Å; L556-H558 VanDerWaalsContact C-N 3.32Å; L556-H558 PolarHBondContact O-N 3.11Å; L556-C559 PolarHBondContact O-N 3.01Å; L556-C559 VanDerWaalsContact O-N 3.14Å; L556-F560 WeakPolarHBondContact O-CD2 3.37Å; L556-F560 PolarHBondContact O-N 3.31Å; L556-V572 HydrophobicContact CD2-CG1 4.31Å; L556-T575 HydrophobicContact CD2-CG2 4.17Å; L556-W576 HydrophobicContact CD1-CB 4.11Å; L556-W576 HydrophobicContact CD2-CB 4.33Å; L556-L614 HydrophobicContact CD1-CD2 4.31Å; L556-L618 HydrophobicContact CB-CD1 3.66Å; L556-L618 HydrophobicContact CD1-CD1 3.92Å; L556-L618 HydrophobicContact CG-CD1 4.45Å
557	Q	90.7	Very high	89.7	Confident	49 Å²	49	37.3 Å²	37.3	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-39.2	179.1	-170.5	175.1	-29.4	0	0	112	Y341 Y553 L554 F560 G561 L618	Y341-Q557 VanDerWaalsContact CE2-CD 3.5Å; Y341-Q557 HydrophobicContact CE2-CG 4.46Å; Y341-Q557 VanDerWaalsContact CE2-NE2 3.31Å; Y341-Q557 PolarHBondContact OH-NE2 3.07Å; Y341-Q557 VanDerWaalsContact OH-NE2 3.11Å; Y341-Q557 PolarHBondContact OH-OE1 3.29Å; Y553-Q557 WeakPolarHBondContact O-CB 3.35Å; Y553-Q557 PolarHBondContact O-N 3.38Å; Y553-Q557 PolarHBondContact OH-OE1 3.37Å; L554-Q557 PolarHBondContact O-N 3.06Å; Q557-F560 PolarHBondContact O-N 3.03Å; Q557-G561 PolarHBondContact O-N 2.95Å; Q557-L618 HydrophobicContact CB-CD2 3.79Å; Q557-L618 HydrophobicContact CG-CD2 4.24Å
558	H	89.9	Confident	90.4	Very high	17 Å²	17	37.6 Å²	37.6	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-50.7	171.8	176.8	88.9	0	0	0	110.8	Y336 L554 F555 L556 F560 G561 H562	Y336-H558 AromaticContact CD1-ND1 4Å; Y336-H558 HydrophobicContact CD2-CB 4.32Å; Y336-H558 HydrophobicContact CE1-CB 4.19Å; Y336-H558 AromaticContact CE1-CD2 3.9Å; Y336-H558 AromaticContact CE1-CE1 3.72Å; Y336-H558 AromaticContact CE1-CG 3.55Å; Y336-H558 AromaticContact CE1-ND1 3.43Å; Y336-H558 WeakPolarHBondContact CE1-ND1 3.35Å; Y336-H558 HydrophobicContact CE2-CB 3.93Å; Y336-H558 AromaticContact CZ-CD2 3.53Å; Y336-H558 AromaticContact CZ-CG 3.43Å; Y336-H558 VanDerWaalsContact CZ-CG 3.43Å; Y336-H558 AromaticContact CZ-ND1 3.83Å; Y336-H558 PolarHBondContact OH-CD2 3.42Å; Y336-H558 PolarHBondContact OH-NE2 3.14Å; L554-H558 WeakPolarHBondContact O-CB 3.24Å; L554-H558 PolarHBondContact O-N 3.13Å; F555-H558 PolarHBondContact O-N 3.45Å; L556-H558 VanDerWaalsContact C-N 3.32Å; L556-H558 PolarHBondContact O-N 3.11Å; H558-F560 PolarHBondContact O-N 3.36Å; H558-G561 PolarHBondContact O-N 3.36Å; H558-H562 AromaticContact CE1-CE1 3.87Å; H558-H562 AromaticContact CE1-CG 3.76Å; H558-H562 AromaticContact CE1-ND1 3.44Å; H558-H562 PolarHBondContact CE1-ND1 2.96Å; H558-H562 AromaticContact CG-ND1 3.8Å; H558-H562 AromaticContact ND1-CE1 3.66Å; H558-H562 AromaticContact ND1-ND1 3.37Å; H558-H562 PolarHBondContact ND1-ND1 3.12Å; H558-H562 AromaticContact NE2-ND1 3.87Å; H558-H562 PolarHBondContact O-N 2.93Å; H558-H562 PolarHBondContact O-ND1 3.36Å
559	C	93.1	Very high	90.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-44.7	179.2	-64.4	0	0	0	0	112.3	P496 F555 L556 G561 H562 W563 V572	P496-C559 VanDerWaalsContact CG-SG 3.58Å; F555-C559 PolarHBondContact O-N 3.38Å; F555-C559 PolarHBondContact O-SG 2.85Å; L556-C559 PolarHBondContact O-N 3.01Å; L556-C559 VanDerWaalsContact O-N 3.14Å; C559-G561 VanDerWaalsContact C-N 3.27Å; C559-G561 PolarHBondContact O-N 3Å; C559-H562 PolarHBondContact O-N 3.21Å; C559-W563 HydrophobicContact CB-CE3 4.25Å; C559-W563 WeakPolarHBondContact O-CB 3.28Å; C559-W563 PolarHBondContact O-N 3.26Å; C559-V572 HydrophobicContact CB-CB 4.4Å; C559-V572 HydrophobicContact CB-CG1 3.51Å; C559-V572 HydrophobicContact CB-CG2 3.92Å
560	F	91.9	Very high	91.3	Very high	10 Å²	10	39.7 Å²	39.7	4%	0.044	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-37.6	179	-87.1	-119.8	0	0	0	112.5	L556 Q557 H558 F569 V572 W576 L618 F622 R625	L556-F560 WeakPolarHBondContact O-CD2 3.37Å; L556-F560 PolarHBondContact O-N 3.31Å; Q557-F560 PolarHBondContact O-N 3.03Å; H558-F560 PolarHBondContact O-N 3.36Å; F560-F569 AromaticContact CD1-CZ 3.96Å; F560-F569 HydrophobicContact CD1-CZ 3.96Å; F560-F569 HydrophobicContact CD2-CE2 4.12Å; F560-F569 AromaticContact CD2-CZ 3.98Å; F560-F569 HydrophobicContact CD2-CZ 3.98Å; F560-F569 AromaticContact CE1-CZ 3.97Å; F560-F569 HydrophobicContact CE1-CZ 3.97Å; F560-F569 HydrophobicContact CE2-CE2 4.45Å; F560-F569 HydrophobicContact CE2-CZ 4.02Å; F560-F569 HydrophobicContact CG-CE2 4.27Å; F560-F569 AromaticContact CG-CZ 3.98Å; F560-F569 HydrophobicContact CG-CZ 3.98Å; F560-F569 HydrophobicContact CZ-CZ 4.02Å; F560-V572 HydrophobicContact CD2-CG1 3.67Å; F560-V572 HydrophobicContact CE2-CG1 3.65Å; F560-W576 HydrophobicContact CE1-CE3 4.41Å; F560-W576 HydrophobicContact CE2-CB 4.08Å; F560-W576 HydrophobicContact CE2-CG 4.37Å; F560-W576 HydrophobicContact CZ-CB 4.03Å; F560-W576 AromaticContact CZ-CD2 3.83Å; F560-W576 HydrophobicContact CZ-CD2 3.83Å; F560-W576 AromaticContact CZ-CE3 3.79Å; F560-W576 HydrophobicContact CZ-CE3 3.79Å; F560-W576 AromaticContact CZ-CG 3.96Å; F560-W576 HydrophobicContact CZ-CG 3.96Å; F560-L618 WeakPolarHBondContact CE1-O 3.28Å; F560-F622 HydrophobicContact CD1-CB 4.46Å; F560-F622 HydrophobicContact CE1-CB 3.89Å; F560-F622 HydrophobicContact CE1-CD2 4.22Å; F560-R625 PolarHBondContact O-NH1 2.96Å
561	G	89.1	Confident	91.7	Very high	56 Å²	56	33.7 Å²	33.7	58%	0.577	19%	0.185	S	C	*	.	H	α-helix	trans	-74.3	-40.2	177.7	0	0	0	0	0	114.9	Q557 H558 C559	Q557-G561 PolarHBondContact O-N 2.95Å; H558-G561 PolarHBondContact O-N 3.36Å; C559-G561 VanDerWaalsContact C-N 3.27Å; C559-G561 PolarHBondContact O-N 3Å
562	H	88.9	Confident	92.1	Very high	106 Å²	106	32.1 Å²	32.1	49%	0.491	18%	0.178	S	C	.	.	H	α-helix	trans	-109.9	-18.7	-165.4	-56.9	88.7	0	0	0	115.2	H558 C559	H558-H562 AromaticContact CE1-CE1 3.87Å; H558-H562 AromaticContact CE1-CG 3.76Å; H558-H562 AromaticContact CE1-ND1 3.44Å; H558-H562 PolarHBondContact CE1-ND1 2.96Å; H558-H562 AromaticContact CG-ND1 3.8Å; H558-H562 AromaticContact ND1-CE1 3.66Å; H558-H562 AromaticContact ND1-ND1 3.37Å; H558-H562 PolarHBondContact ND1-ND1 3.12Å; H558-H562 AromaticContact NE2-ND1 3.87Å; H558-H562 PolarHBondContact O-N 2.93Å; H558-H562 PolarHBondContact O-ND1 3.36Å; C559-H562 PolarHBondContact O-N 3.21Å
563	W	92.5	Very high	92.3	Very high	25 Å²	25	32.1 Å²	32.1	10%	0.095	18%	0.178	C	C	.	.	S	Bend	trans	-65.2	141.4	-175.6	-159.4	-78.9	0	0	0	112.1	P496 E498 V501 C559 S568 F569 V572 R625	P496-W563 HydrophobicContact CB-CZ3 4.45Å; P496-W563 HydrophobicContact CG-CZ3 4.17Å; P496-W563 WeakPolarHBondContact O-CH2 3.43Å; P496-W563 WeakPolarHBondContact O-CZ3 3.4Å; E498-W563 HydrophobicContact CB-CZ2 4.24Å; V501-W563 HydrophobicContact CB-CH2 4.42Å; V501-W563 HydrophobicContact CG2-CH2 3.62Å; V501-W563 HydrophobicContact CG2-CZ3 3.57Å; C559-W563 HydrophobicContact CB-CE3 4.25Å; C559-W563 WeakPolarHBondContact O-CB 3.28Å; C559-W563 PolarHBondContact O-N 3.26Å; W563-S568 PolarHBondContact NE1-OG 2.99Å; W563-F569 HydrophobicContact CB-CD2 3.95Å; W563-F569 AromaticContact CG-CD2 4Å; W563-F569 HydrophobicContact CG-CD2 4Å; W563-V572 HydrophobicContact CD2-CG2 3.61Å; W563-V572 HydrophobicContact CE3-CG2 3.5Å; W563-V572 HydrophobicContact CG-CG2 4.21Å; W563-V572 HydrophobicContact CH2-CG2 4.11Å; W563-V572 HydrophobicContact CZ2-CG2 4.22Å; W563-V572 HydrophobicContact CZ3-CG2 3.77Å; W563-R625 VanDerWaalsContact O-CZ 3.25Å; W563-R625 PolarHBondContact O-NH1 3.37Å; W563-R625 PolarHBondContact O-NH2 3.02Å
564	P	92.1	Very high	92.6	Very high	75 Å²	75	31.7 Å²	31.7	49%	0.487	18%	0.177	S	C	.	.			trans	-50.8	142	175.2	-31.8	38.1	0	0	0	114.4	D566 R625	P564-D566 WeakPolarHBondContact CB-OD2 3.15Å; P564-D566 PolarHBondContact O-N 3.37Å; P564-R625 PolarHBondContact O-NH2 3.29Å
565	L	90.4	Very high	93	Very high	61 Å²	61	30.6 Å²	30.6	32%	0.319	17%	0.172	S	C	.	.	S	Bend	trans	-74.8	25	-174.8	-68.1	172.4	0	0	0	114.5	R625 R628	L565-R625 HydrophobicContact CD2-CG 3.78Å; L565-R628 HydrophobicContact CD1-CB 3.97Å; L565-R628 HydrophobicContact CD2-CB 4.49Å
566	D	89.5	Confident	93.2	Very high	76 Å²	76	30.6 Å²	30.6	41%	0.406	17%	0.172	S	C	.	.	S	Bend	trans	-101.8	-173.9	179.7	67.9	62	0	0	0	113	P564 S568 F569	P564-D566 WeakPolarHBondContact CB-OD2 3.15Å; P564-D566 PolarHBondContact O-N 3.37Å; D566-S568 VanDerWaalsContact C-N 3.29Å; D566-S568 PolarHBondContact O-N 3.42Å; D566-S568 VanDerWaalsContact OD1-CB 3.23Å; D566-S568 WeakPolarHBondContact OD1-CB 3.31Å; D566-S568 PolarHBondContact OD1-N 2.93Å; D566-S568 PolarHBondContact OD1-OG 3.28Å; D566-F569 WeakPolarHBondContact O-CB 3.24Å; D566-F569 PolarHBondContact O-N 3.23Å
567	A	89.1	Confident	93.4	Very high	28 Å²	28	31 Å²	31	23%	0.231	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16	-174.5	0	0	0	0	0	114.9	F569 R570 K635	A567-F569 PolarHBondContact O-N 2.96Å; A567-R570 WeakPolarHBondContact O-CB 3.38Å; A567-R570 PolarHBondContact O-N 3.41Å; A567-K635 HydrophobicContact CB-CB 4.11Å; A567-K635 HydrophobicContact CB-CD 3.88Å
568	S	91.2	Very high	93.7	Very high	26 Å²	26	28.6 Å²	28.6	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.3	175.2	64	0	0	0	0	112.4	W563 D566 R570 A571	W563-S568 PolarHBondContact NE1-OG 2.99Å; D566-S568 VanDerWaalsContact C-N 3.29Å; D566-S568 PolarHBondContact O-N 3.42Å; D566-S568 VanDerWaalsContact OD1-CB 3.23Å; D566-S568 WeakPolarHBondContact OD1-CB 3.31Å; D566-S568 PolarHBondContact OD1-N 2.93Å; D566-S568 PolarHBondContact OD1-OG 3.28Å; S568-R570 PolarHBondContact O-N 3.06Å; S568-A571 PolarHBondContact O-N 3.4Å
569	F	95.4	Very high	94.1	Very high	4 Å²	4	28 Å²	28	2%	0.018	16%	0.16	C	C	.	.	H	α-helix	trans	-57.1	-17	171	-175.6	-106.7	0	0	0	112.8	F560 W563 D566 A567 A571 V572 L573 F622 R625 M639	F560-F569 AromaticContact CD1-CZ 3.96Å; F560-F569 HydrophobicContact CD1-CZ 3.96Å; F560-F569 HydrophobicContact CD2-CE2 4.12Å; F560-F569 AromaticContact CD2-CZ 3.98Å; F560-F569 HydrophobicContact CD2-CZ 3.98Å; F560-F569 AromaticContact CE1-CZ 3.97Å; F560-F569 HydrophobicContact CE1-CZ 3.97Å; F560-F569 HydrophobicContact CE2-CE2 4.45Å; F560-F569 HydrophobicContact CE2-CZ 4.02Å; F560-F569 HydrophobicContact CG-CE2 4.27Å; F560-F569 AromaticContact CG-CZ 3.98Å; F560-F569 HydrophobicContact CG-CZ 3.98Å; F560-F569 HydrophobicContact CZ-CZ 4.02Å; W563-F569 HydrophobicContact CB-CD2 3.95Å; W563-F569 AromaticContact CG-CD2 4Å; W563-F569 HydrophobicContact CG-CD2 4Å; D566-F569 WeakPolarHBondContact O-CB 3.24Å; D566-F569 PolarHBondContact O-N 3.23Å; A567-F569 PolarHBondContact O-N 2.96Å; F569-A571 PolarHBondContact O-N 3.06Å; F569-V572 HydrophobicContact CD2-CB 3.76Å; F569-V572 HydrophobicContact CD2-CG1 4.17Å; F569-V572 HydrophobicContact CD2-CG2 4.11Å; F569-V572 HydrophobicContact CE2-CB 3.66Å; F569-V572 HydrophobicContact CE2-CG1 3.56Å; F569-V572 HydrophobicContact CE2-CG2 4.32Å; F569-V572 HydrophobicContact CZ-CB 4.37Å; F569-V572 HydrophobicContact CZ-CG1 4.18Å; F569-V572 PolarHBondContact O-N 2.95Å; F569-V572 VanDerWaalsContact O-N 3.09Å; F569-L573 HydrophobicContact CD1-CB 4.36Å; F569-L573 HydrophobicContact CE1-CB 4.1Å; F569-L573 PolarHBondContact O-N 3.33Å; F569-F622 HydrophobicContact CE1-CD2 4.16Å; F569-F622 HydrophobicContact CE1-CE2 4.14Å; F569-R625 VanDerWaalsContact CZ-CD 3.49Å; F569-M639 HydrophobicContact CB-SD 4.38Å; F569-M639 HydrophobicContact CD1-SD 3.95Å
570	R	94.9	Very high	94.2	Very high	87 Å²	87	27.9 Å²	27.9	33%	0.328	16%	0.159	S	C	.	.	H	α-helix	trans	-51.6	-36.9	170.6	178.3	164.6	174	57.1	18.2	112.5	A567 S568 E574 M639	A567-R570 WeakPolarHBondContact O-CB 3.38Å; A567-R570 PolarHBondContact O-N 3.41Å; S568-R570 PolarHBondContact O-N 3.06Å; R570-E574 HydrophobicContact CG-CG 4.05Å; R570-E574 IonicContact CZ-OE1 3.94Å; R570-E574 IonicContact NH1-OE1 3.03Å; R570-E574 PolarHBondContact NH1-OE1 3.4Å; R570-E574 VanDerWaalsContact NH2-CD 3.26Å; R570-E574 IonicContact NH2-OE1 3.25Å; R570-E574 PolarHBondContact NH2-OE1 3.34Å; R570-E574 IonicContact NH2-OE2 3.16Å; R570-E574 WeakPolarHBondContact O-CB 3.36Å; R570-E574 WeakPolarHBondContact O-CG 3.49Å; R570-E574 PolarHBondContact O-N 3.04Å; R570-M639 VanDerWaalsContact CA-SD 3.56Å; R570-M639 HydrophobicContact CB-CG 4.45Å; R570-M639 HydrophobicContact CB-SD 3.93Å; R570-M639 PolarHBondContact N-SD 3.47Å; R570-M639 VanDerWaalsContact N-SD 3.4Å
571	A	95.3	Very high	94.3	Very high	4 Å²	4	28 Å²	28	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-47	176.5	0	0	0	0	0	111.8	E498 V501 L502 S568 F569 E574 T575	E498-A571 HydrophobicContact CG-CB 3.73Å; V501-A571 HydrophobicContact CB-CB 4.38Å; V501-A571 VanDerWaalsContact CG1-C 3.48Å; V501-A571 HydrophobicContact CG1-CB 3.89Å; L502-A571 HydrophobicContact CD2-CB 4.19Å; L502-A571 HydrophobicContact CG-CB 4.18Å; S568-A571 PolarHBondContact O-N 3.4Å; F569-A571 PolarHBondContact O-N 3.06Å; A571-E574 PolarHBondContact O-N 2.88Å; A571-T575 WeakPolarHBondContact O-CB 3.22Å; A571-T575 PolarHBondContact O-N 3.3Å; A571-T575 PolarHBondContact O-OG1 3.48Å
572	V	97.4	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-48.1	178.6	-179	0	0	0	0	110.9	V501 L556 C559 F560 W563 F569 E574 T575 W576	V501-V572 HydrophobicContact CG1-CB 4.46Å; V501-V572 HydrophobicContact CG1-CG2 4.06Å; V501-V572 HydrophobicContact CG2-CG2 4.17Å; L556-V572 HydrophobicContact CD2-CG1 4.31Å; C559-V572 HydrophobicContact CB-CB 4.4Å; C559-V572 HydrophobicContact CB-CG1 3.51Å; C559-V572 HydrophobicContact CB-CG2 3.92Å; F560-V572 HydrophobicContact CD2-CG1 3.67Å; F560-V572 HydrophobicContact CE2-CG1 3.65Å; W563-V572 HydrophobicContact CD2-CG2 3.61Å; W563-V572 HydrophobicContact CE3-CG2 3.5Å; W563-V572 HydrophobicContact CG-CG2 4.21Å; W563-V572 HydrophobicContact CH2-CG2 4.11Å; W563-V572 HydrophobicContact CZ2-CG2 4.22Å; W563-V572 HydrophobicContact CZ3-CG2 3.77Å; F569-V572 HydrophobicContact CD2-CB 3.76Å; F569-V572 HydrophobicContact CD2-CG1 4.17Å; F569-V572 HydrophobicContact CD2-CG2 4.11Å; F569-V572 HydrophobicContact CE2-CB 3.66Å; F569-V572 HydrophobicContact CE2-CG1 3.56Å; F569-V572 HydrophobicContact CE2-CG2 4.32Å; F569-V572 HydrophobicContact CZ-CB 4.37Å; F569-V572 HydrophobicContact CZ-CG1 4.18Å; F569-V572 PolarHBondContact O-N 2.95Å; F569-V572 VanDerWaalsContact O-N 3.09Å; V572-E574 PolarHBondContact O-N 2.81Å; V572-T575 WeakPolarHBondContact O-CB 3.36Å; V572-T575 PolarHBondContact O-N 3.39Å; V572-W576 PolarHBondContact O-N 3.13Å
573	L	97.8	Very high	94.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.3	-53.2	175.5	177.2	78.7	0	0	0	111.2	F569 T575 W576 L577 F622 M639 R642 A643	F569-L573 HydrophobicContact CD1-CB 4.36Å; F569-L573 HydrophobicContact CE1-CB 4.1Å; F569-L573 PolarHBondContact O-N 3.33Å; L573-T575 PolarHBondContact O-N 2.94Å; L573-W576 HydrophobicContact CD1-CE3 3.81Å; L573-W576 HydrophobicContact CD1-CZ3 3.9Å; L573-W576 PolarHBondContact O-N 3.38Å; L573-L577 HydrophobicContact CD1-CD1 4.14Å; L573-L577 HydrophobicContact CD1-CG 4.27Å; L573-L577 HydrophobicContact CD2-CD1 4.25Å; L573-L577 HydrophobicContact CG-CD1 3.89Å; L573-L577 HydrophobicContact CG-CG 4.23Å; L573-L577 WeakPolarHBondContact O-CB 3.33Å; L573-L577 WeakPolarHBondContact O-CG 3.23Å; L573-L577 PolarHBondContact O-N 2.6Å; L573-F622 HydrophobicContact CD1-CD2 3.88Å; L573-F622 HydrophobicContact CD1-CE2 3.59Å; L573-F622 HydrophobicContact CD1-CZ 4.17Å; L573-M639 HydrophobicContact CD2-CB 3.59Å; L573-M639 HydrophobicContact CD2-CG 3.62Å; L573-M639 HydrophobicContact CD2-SD 4.2Å; L573-R642 HydrophobicContact CD2-CB 4.43Å; L573-A643 HydrophobicContact CD1-CB 4.25Å
574	E	97.3	Very high	94.6	Very high	18 Å²	18	26.7 Å²	26.7	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-68.4	-21.5	-176.2	-74.1	-94.1	165.6	0	0	112.3	R505 R570 A571 V572 S578	R505-E574 IonicContact CZ-OE2 2.71Å; R505-E574 PolarHBondContact NE-O 3.32Å; R505-E574 IonicContact NH1-OE2 2.72Å; R505-E574 PolarHBondContact NH1-OE2 3.12Å; R505-E574 PolarHBondContact NH2-O 2.86Å; R505-E574 IonicContact NH2-OE2 3.4Å; R505-E574 PolarHBondContact NH2-OE2 3.26Å; R570-E574 HydrophobicContact CG-CG 4.05Å; R570-E574 IonicContact CZ-OE1 3.94Å; R570-E574 IonicContact NH1-OE1 3.03Å; R570-E574 PolarHBondContact NH1-OE1 3.4Å; R570-E574 VanDerWaalsContact NH2-CD 3.26Å; R570-E574 IonicContact NH2-OE1 3.25Å; R570-E574 PolarHBondContact NH2-OE1 3.34Å; R570-E574 IonicContact NH2-OE2 3.16Å; R570-E574 WeakPolarHBondContact O-CB 3.36Å; R570-E574 WeakPolarHBondContact O-CG 3.49Å; R570-E574 PolarHBondContact O-N 3.04Å; A571-E574 PolarHBondContact O-N 2.88Å; V572-E574 PolarHBondContact O-N 2.81Å; E574-S578 WeakPolarHBondContact O-CB 3.38Å; E574-S578 PolarHBondContact O-N 3.43Å; E574-S578 VanDerWaalsContact O-N 3.09Å; E574-S578 PolarHBondContact O-OG 2.87Å
575	T	98.3	Very high	94.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.5	-53.7	169.4	-56.7	0	0	0	0	110.9	V501 V504 R505 L556 A571 V572 L573 L577 S578 Y579	V501-T575 VanDerWaalsContact CG1-OG1 3.31Å; V501-T575 WeakPolarHBondContact CG1-OG1 3.07Å; V501-T575 PolarHBondContact O-OG1 3.49Å; V504-T575 HydrophobicContact CG1-CG2 4.06Å; R505-T575 HydrophobicContact CB-CG2 4.11Å; L556-T575 HydrophobicContact CD2-CG2 4.17Å; A571-T575 WeakPolarHBondContact O-CB 3.22Å; A571-T575 PolarHBondContact O-N 3.3Å; A571-T575 PolarHBondContact O-OG1 3.48Å; V572-T575 WeakPolarHBondContact O-CB 3.36Å; V572-T575 PolarHBondContact O-N 3.39Å; L573-T575 PolarHBondContact O-N 2.94Å; T575-L577 PolarHBondContact O-N 2.9Å; T575-S578 WeakPolarHBondContact O-CA 3.44Å; T575-S578 WeakPolarHBondContact O-CB 3.37Å; T575-S578 PolarHBondContact O-N 2.79Å; T575-Y579 PolarHBondContact O-N 3.17Å; T575-Y579 VanDerWaalsContact O-N 3.1Å
576	W	98.4	Very high	94.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-54.8	-49.4	173.9	168.9	59.2	0	0	0	112	L556 F560 V572 L573 S578 Y579 I580 L614 L618 F619 F622 A643 L647	L556-W576 HydrophobicContact CD1-CB 4.11Å; L556-W576 HydrophobicContact CD2-CB 4.33Å; F560-W576 HydrophobicContact CE1-CE3 4.41Å; F560-W576 HydrophobicContact CE2-CB 4.08Å; F560-W576 HydrophobicContact CE2-CG 4.37Å; F560-W576 HydrophobicContact CZ-CB 4.03Å; F560-W576 AromaticContact CZ-CD2 3.83Å; F560-W576 HydrophobicContact CZ-CD2 3.83Å; F560-W576 AromaticContact CZ-CE3 3.79Å; F560-W576 HydrophobicContact CZ-CE3 3.79Å; F560-W576 AromaticContact CZ-CG 3.96Å; F560-W576 HydrophobicContact CZ-CG 3.96Å; V572-W576 PolarHBondContact O-N 3.13Å; L573-W576 HydrophobicContact CD1-CE3 3.81Å; L573-W576 HydrophobicContact CD1-CZ3 3.9Å; L573-W576 PolarHBondContact O-N 3.38Å; W576-S578 PolarHBondContact O-N 3.31Å; W576-Y579 PolarHBondContact O-N 3.05Å; W576-I580 HydrophobicContact CH2-CD1 4.43Å; W576-I580 HydrophobicContact CZ2-CD1 3.89Å; W576-I580 PolarHBondContact O-N 3.14Å; W576-L614 PolarHBondContact NE1-O 3.24Å; W576-L618 HydrophobicContact CG-CD1 4.29Å; W576-L618 HydrophobicContact CZ2-CB 4.49Å; W576-F619 HydrophobicContact CH2-CB 4.23Å; W576-F619 HydrophobicContact CH2-CD2 4.15Å; W576-F619 HydrophobicContact CZ2-CB 4.13Å; W576-F622 HydrophobicContact CZ3-CG 4.46Å; W576-A643 HydrophobicContact CZ3-CB 4.15Å; W576-L647 HydrophobicContact CH2-CD1 4.35Å
577	L	97.6	Very high	93.1	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-15.9	176.2	-64.2	-175	0	0	0	113.7	L573 T575 I580 Q581 R642 V646	L573-L577 HydrophobicContact CD1-CD1 4.14Å; L573-L577 HydrophobicContact CD1-CG 4.27Å; L573-L577 HydrophobicContact CD2-CD1 4.25Å; L573-L577 HydrophobicContact CG-CD1 3.89Å; L573-L577 HydrophobicContact CG-CG 4.23Å; L573-L577 WeakPolarHBondContact O-CB 3.33Å; L573-L577 WeakPolarHBondContact O-CG 3.23Å; L573-L577 PolarHBondContact O-N 2.6Å; T575-L577 PolarHBondContact O-N 2.9Å; L577-I580 HydrophobicContact CD2-CD1 3.94Å; L577-I580 HydrophobicContact CD2-CG1 4.29Å; L577-Q581 PolarHBondContact O-NE2 2.94Å; L577-R642 HydrophobicContact CD1-CB 4.02Å; L577-V646 HydrophobicContact CD1-CG2 4.25Å; L577-V646 HydrophobicContact CD2-CB 3.98Å; L577-V646 HydrophobicContact CD2-CG1 4.13Å; L577-V646 HydrophobicContact CD2-CG2 4.02Å
578	S	97.4	Very high	92.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-82.5	-31.6	169.9	-58.3	0	0	0	0	111.7	R505 E574 T575 W576 Y585	R505-S578 PolarHBondContact NE-OG 3.43Å; R505-S578 PolarHBondContact NH2-OG 3.43Å; E574-S578 WeakPolarHBondContact O-CB 3.38Å; E574-S578 PolarHBondContact O-N 3.43Å; E574-S578 VanDerWaalsContact O-N 3.09Å; E574-S578 PolarHBondContact O-OG 2.87Å; T575-S578 WeakPolarHBondContact O-CA 3.44Å; T575-S578 WeakPolarHBondContact O-CB 3.37Å; T575-S578 PolarHBondContact O-N 2.79Å; W576-S578 PolarHBondContact O-N 3.31Å; S578-Y585 WeakPolarHBondContact CB-OH 3.3Å; S578-Y585 WeakPolarHBondContact O-CE2 3.45Å
579	Y	97.7	Very high	90.4	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-74.8	-46	177.2	-171.9	-83.6	0	0	0	112.7	V508 H512 V544 L552 T575 W576 Q581 F607 N611 L614	V508-Y579 HydrophobicContact CG1-CD2 4.02Å; V508-Y579 HydrophobicContact CG1-CG 4.43Å; V508-Y579 HydrophobicContact CG2-CD2 4.24Å; H512-Y579 AromaticContact CE1-CD2 3.93Å; H512-Y579 WeakPolarHBondContact NE2-CA 3.19Å; H512-Y579 AromaticContact NE2-CD2 3.6Å; H512-Y579 AromaticContact NE2-CG 3.89Å; H512-Y579 PolarHBondContact NE2-O 3.47Å; V544-Y579 HydrophobicContact CG1-CE2 3.9Å; V544-Y579 WeakPolarHBondContact CG1-OH 3.43Å; L552-Y579 HydrophobicContact CD2-CD2 3.21Å; L552-Y579 HydrophobicContact CD2-CE2 3.62Å; L552-Y579 HydrophobicContact CD2-CG 3.81Å; T575-Y579 PolarHBondContact O-N 3.17Å; T575-Y579 VanDerWaalsContact O-N 3.1Å; W576-Y579 PolarHBondContact O-N 3.05Å; Y579-Q581 PolarHBondContact O-N 2.74Å; Y579-F607 HydrophobicContact CD1-CZ 4.23Å; Y579-F607 HydrophobicContact CE1-CE1 4.38Å; Y579-F607 HydrophobicContact CE1-CE2 4.47Å; Y579-F607 AromaticContact CE1-CZ 3.66Å; Y579-F607 HydrophobicContact CE1-CZ 3.66Å; Y579-N611 HydrophobicContact CE1-CB 4.36Å; Y579-N611 VanDerWaalsContact CE1-OD1 3.25Å; Y579-N611 WeakPolarHBondContact CE1-OD1 3.45Å; Y579-N611 PolarHBondContact OH-OD1 3.2Å; Y579-L614 HydrophobicContact CD1-CD1 3.6Å; Y579-L614 HydrophobicContact CE1-CD1 3.21Å
580	I	96.4	Very high	88.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	17.2	-175.8	67.7	157.1	0	0	0	114.5	W576 L577 W583 L614 Y615 V646 L647	W576-I580 HydrophobicContact CH2-CD1 4.43Å; W576-I580 HydrophobicContact CZ2-CD1 3.89Å; W576-I580 PolarHBondContact O-N 3.14Å; L577-I580 HydrophobicContact CD2-CD1 3.94Å; L577-I580 HydrophobicContact CD2-CG1 4.29Å; I580-W583 VanDerWaalsContact O-CH2 3.22Å; I580-W583 WeakPolarHBondContact O-CH2 3.46Å; I580-L614 HydrophobicContact CG2-CB 4.05Å; I580-Y615 HydrophobicContact CB-CD1 4.18Å; I580-Y615 HydrophobicContact CB-CE1 3.61Å; I580-Y615 HydrophobicContact CD1-CD1 4.34Å; I580-Y615 HydrophobicContact CD1-CE1 4.33Å; I580-Y615 HydrophobicContact CG1-CE1 4.48Å; I580-Y615 HydrophobicContact CG2-CD1 4.43Å; I580-Y615 HydrophobicContact CG2-CE1 4.21Å; I580-Y615 PolarHBondContact O-OH 3.09Å; I580-Y615 VanDerWaalsContact O-OH 3.06Å; I580-V646 HydrophobicContact CD1-CG1 3.83Å; I580-V646 HydrophobicContact CG1-CG1 4.19Å; I580-L647 HydrophobicContact CD1-CD2 4.2Å
581	Q	94.8	Very high	86.1	Confident	12 Å²	12	43.2 Å²	43.2	6%	0.056	23%	0.227	C	C	.	.			trans	-143.1	58.7	178.1	-63.2	179.6	99.4	0	0	111.9	L577 Y579 W583 R584 Y585 V646	L577-Q581 PolarHBondContact O-NE2 2.94Å; Y579-Q581 PolarHBondContact O-N 2.74Å; Q581-W583 HydrophobicContact CB-CD2 4.48Å; Q581-W583 HydrophobicContact CB-CZ2 4.07Å; Q581-W583 HydrophobicContact CG-CZ2 3.83Å; Q581-W583 PolarHBondContact O-N 3.34Å; Q581-R584 HydrophobicContact CB-CG 4.06Å; Q581-R584 VanDerWaalsContact CD-CD 3.44Å; Q581-R584 WeakPolarHBondContact O-CB 3.43Å; Q581-R584 PolarHBondContact O-N 2.9Å; Q581-R584 VanDerWaalsContact OE1-CD 3.25Å; Q581-Y585 WeakPolarHBondContact O-CE2 3.31Å; Q581-V646 VanDerWaalsContact CD-CG1 3.45Å; Q581-V646 HydrophobicContact CG-CG1 3.55Å
582	P	93.2	Very high	83.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.3	-31.3	-179	27.7	-39.2	0	0	0	113	R584 Y585 W604 F607	P582-R584 PolarHBondContact O-N 3.25Å; P582-Y585 PolarHBondContact O-N 2.89Å; P582-W604 HydrophobicContact CB-CE3 4.01Å; P582-W604 HydrophobicContact CB-CH2 3.8Å; P582-W604 HydrophobicContact CB-CZ3 3.48Å; P582-W604 VanDerWaalsContact CB-CZ3 3.48Å; P582-W604 HydrophobicContact CG-CD2 4.08Å; P582-W604 HydrophobicContact CG-CE3 3.41Å; P582-W604 VanDerWaalsContact CG-CE3 3.41Å; P582-W604 HydrophobicContact CG-CH2 4.13Å; P582-W604 HydrophobicContact CG-CZ3 3.45Å; P582-W604 VanDerWaalsContact CG-CZ3 3.45Å; P582-F607 HydrophobicContact CB-CE1 4.46Å; P582-F607 HydrophobicContact CB-CZ 4.37Å; P582-F607 HydrophobicContact CG-CD1 3.66Å; P582-F607 HydrophobicContact CG-CD2 4.46Å; P582-F607 HydrophobicContact CG-CE1 3.59Å; P582-F607 HydrophobicContact CG-CE2 4.39Å; P582-F607 HydrophobicContact CG-CG 4.11Å; P582-F607 HydrophobicContact CG-CZ 3.97Å
583	W	91.9	Very high	81.1	Confident	33 Å²	33	53.5 Å²	53.5	13%	0.125	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.2	-13.2	174.5	53.7	93.8	0	0	0	115	I580 Q581 Y585 T586 V600 W604 L652	I580-W583 VanDerWaalsContact O-CH2 3.22Å; I580-W583 WeakPolarHBondContact O-CH2 3.46Å; Q581-W583 HydrophobicContact CB-CD2 4.48Å; Q581-W583 HydrophobicContact CB-CZ2 4.07Å; Q581-W583 HydrophobicContact CG-CZ2 3.83Å; Q581-W583 PolarHBondContact O-N 3.34Å; W583-Y585 VanDerWaalsContact C-N 3.27Å; W583-T586 PolarHBondContact O-OG1 3.41Å; W583-V600 HydrophobicContact CD2-CG1 4.01Å; W583-V600 HydrophobicContact CE3-CG1 3.81Å; W583-V600 HydrophobicContact CH2-CG1 3.99Å; W583-V600 HydrophobicContact CH2-CG2 4.08Å; W583-V600 HydrophobicContact CZ2-CG1 4.14Å; W583-V600 HydrophobicContact CZ2-CG2 3.59Å; W583-V600 HydrophobicContact CZ3-CG1 3.8Å; W583-W604 HydrophobicContact CB-CD2 4.41Å; W583-W604 HydrophobicContact CB-CG 4.44Å; W583-W604 HydrophobicContact CB-CZ2 4.29Å; W583-W604 HydrophobicContact CE3-CB 4.08Å; W583-W604 HydrophobicContact CE3-CD2 4.23Å; W583-W604 AromaticContact CE3-CG 3.9Å; W583-W604 HydrophobicContact CE3-CG 3.9Å; W583-W604 HydrophobicContact CZ3-CB 4.37Å; W583-L652 HydrophobicContact CH2-CD1 3.79Å; W583-L652 HydrophobicContact CH2-CD2 4.12Å; W583-L652 HydrophobicContact CZ2-CD2 4.17Å
584	R	90.6	Very high	78.6	Confident	126 Å²	126	57.6 Å²	57.6	48%	0.475	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-83.6	0.9	174.3	-67.8	179.7	52.8	-106.1	-16.9	114	Q581 P582	Q581-R584 HydrophobicContact CB-CG 4.06Å; Q581-R584 VanDerWaalsContact CD-CD 3.44Å; Q581-R584 WeakPolarHBondContact O-CB 3.43Å; Q581-R584 PolarHBondContact O-N 2.9Å; Q581-R584 VanDerWaalsContact OE1-CD 3.25Å; P582-R584 PolarHBondContact O-N 3.25Å
585	Y	90.5	Very high	76.1	Confident	36 Å²	36	62.8 Å²	62.8	14%	0.141	35%	0.347	C	S	.	.	S	Bend	trans	-126.3	10.7	-175.4	-53	-77.1	0	0	0	113.1	K509 H512 A513 S578 Q581 P582 W583	K509-Y585 HydrophobicContact CB-CD1 4.39Å; K509-Y585 HydrophobicContact CB-CE1 4.06Å; K509-Y585 HydrophobicContact CG-CD1 4.5Å; K509-Y585 HydrophobicContact CG-CE1 3.7Å; H512-Y585 HydrophobicContact CB-CD2 3.71Å; H512-Y585 HydrophobicContact CB-CG 3.91Å; A513-Y585 WeakPolarHBondContact CA-O 3.18Å; S578-Y585 WeakPolarHBondContact CB-OH 3.3Å; S578-Y585 WeakPolarHBondContact O-CE2 3.45Å; Q581-Y585 WeakPolarHBondContact O-CE2 3.31Å; P582-Y585 PolarHBondContact O-N 2.89Å; W583-Y585 VanDerWaalsContact C-N 3.27Å
586	T	83.1	Confident	73.8	Confident	36 Å²	36	70.1 Å²	70.1	22%	0.221	38%	0.381	C	S	.	.			trans	-66.8	140.6	169.2	49	0	0	0	0	111.1	W583 E588 W604	W583-T586 PolarHBondContact O-OG1 3.41Å; T586-E588 PolarHBondContact O-N 3.39Å; T586-W604 HydrophobicContact CG2-CZ2 3.81Å
587	G	67.1	Low	71.7	Confident	72 Å²	72	74.3 Å²	74.3	74%	0.742	40%	0.404	S	S	*	.	S	Bend	trans	-69.5	-5.5	170.6	0	0	0	0	0	114.5	K589	G587-K589 PolarHBondContact O-N 2.94Å
588	E	67.3	Low	70.3	Confident	122 Å²	122	82.4 Å²	82.4	57%	0.57	43%	0.434	S	S	*	.			trans	-59.5	104.4	175.5	-63.9	174.5	167.3	0	0	110.3	T586 K603	T586-E588 PolarHBondContact O-N 3.39Å; E588-K603 IonicContact OE1-NZ 2.74Å; E588-K603 PolarHBondContact OE1-NZ 3.01Å; E588-K603 IonicContact OE2-NZ 3.83Å; E588-K603 PolarHBondContact OE2-NZ 3.43Å
589	K	55.7	Low	69.8	Low	193 Å²	193	85.7 Å²	85.7	84%	0.839	45%	0.454	S	S	*	.			trans	-59	127	171.1	-71.2	178.8	-179.5	172.9	0	108.5	G587 N591	G587-K589 PolarHBondContact O-N 2.94Å; K589-N591 PolarHBondContact O-N 3.07Å
590	P	53.3	Low	69.4	Low	105 Å²	105	85.6 Å²	85.6	68%	0.682	45%	0.454	S	S	*	.			trans	-64.9	114.6	-179.9	25.7	-33.3	0	0	0	109.6
591	N	46.2	Very low	69.2	Low	139 Å²	139	88.4 Å²	88.4	74%	0.743	47%	0.472	S	S	*	.			trans	-58.2	146.5	172.2	-94.2	-23.8	0	0	0	109.8	K589 Q593 N597	K589-N591 PolarHBondContact O-N 3.07Å; N591-Q593 PolarHBondContact O-N 2.93Å; N591-N597 PolarHBondContact O-ND2 3.23Å
592	A	42.6	Very low	69	Low	102 Å²	102	92.6 Å²	92.6	84%	0.843	50%	0.495	S	S	*	.	S	Bend	trans	-76.5	41.6	-165.5	0	0	0	0	0	115.1
593	Q	45.2	Very low	68.9	Low	118 Å²	118	98.1 Å²	98.1	55%	0.551	52%	0.519	S	S	*	.			trans	-106.2	106	174.5	-79.6	-70.3	-23.8	0	0	109.5	N591 D595 N597	N591-Q593 PolarHBondContact O-N 2.93Å; Q593-D595 VanDerWaalsContact C-N 3.35Å; Q593-D595 PolarHBondContact O-N 2.67Å; Q593-N597 PolarHBondContact O-ND2 3.03Å
594	P	46.9	Very low	68.9	Low	86 Å²	86	98.2 Å²	98.2	56%	0.558	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.4	-164.8	25.3	-34.3	0	0	0	115.1
595	D	43.2	Very low	69	Low	128 Å²	128	93.9 Å²	93.9	68%	0.684	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-27.8	-169.6	-64.9	-51.2	0	0	0	114.5	Q593 N597	Q593-D595 VanDerWaalsContact C-N 3.35Å; Q593-D595 PolarHBondContact O-N 2.67Å; D595-N597 VanDerWaalsContact C-N 3.33Å
596	Q	49.9	Very low	69.1	Low	154 Å²	154	95.8 Å²	95.8	72%	0.72	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.1	173.7	-69.7	-177.3	-12.3	0	0	112.3	R598	Q596-R598 PolarHBondContact O-N 2.9Å
597	N	54.9	Low	69.6	Low	88 Å²	88	95.3 Å²	95.3	47%	0.471	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	30.1	-174.1	-74	-21.4	0	0	0	115.5	N591 Q593 D595	N591-N597 PolarHBondContact O-ND2 3.23Å; Q593-N597 PolarHBondContact O-ND2 3.03Å; D595-N597 VanDerWaalsContact C-N 3.33Å
598	R	69.1	Low	70.9	Confident	177 Å²	177	91.9 Å²	91.9	67%	0.668	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	-22.1	179.6	-65	-171.7	-173.2	172.2	8.5	115.7	Q596	Q596-R598 PolarHBondContact O-N 2.9Å
599	T	85.7	Confident	72.1	Confident	69 Å²	69	87.9 Å²	87.9	42%	0.423	46%	0.462	S	S	.	.	S	Bend	trans	-76.1	143	176.5	-57.1	0	0	0	0	110	P601 P650 N651	T599-P601 WeakPolarHBondContact O-CD 3.17Å; T599-P650 HydrophobicContact CG2-CB 4.14Å; T599-N651 HydrophobicContact CG2-CB 3.81Å
600	V	89.9	Confident	73.6	Confident	1 Å²	1	83.2 Å²	83.2	1%	0.006	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-74.7	120.9	172	-176.6	0	0	0	0	109	W583 W604 Q649 P650 N651 L652 M655	W583-V600 HydrophobicContact CD2-CG1 4.01Å; W583-V600 HydrophobicContact CE3-CG1 3.81Å; W583-V600 HydrophobicContact CH2-CG1 3.99Å; W583-V600 HydrophobicContact CH2-CG2 4.08Å; W583-V600 HydrophobicContact CZ2-CG1 4.14Å; W583-V600 HydrophobicContact CZ2-CG2 3.59Å; W583-V600 HydrophobicContact CZ3-CG1 3.8Å; V600-W604 HydrophobicContact CG1-CB 4.14Å; V600-Q649 HydrophobicContact CG2-CB 3.78Å; V600-P650 PolarHBondContact N-O 3.03Å; V600-N651 PolarHBondContact O-ND2 2.93Å; V600-L652 HydrophobicContact CG2-CB 3.87Å; V600-M655 HydrophobicContact CB-CE 4.18Å; V600-M655 HydrophobicContact CG1-CE 3.85Å; V600-M655 HydrophobicContact CG1-SD 4.08Å; V600-M655 WeakPolarHBondContact O-CE 3.34Å
601	P	91.2	Very high	75.4	Confident	58 Å²	58	78.5 Å²	78.5	38%	0.377	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-69.5	140.6	-179	-20.1	33	0	0	0	112.4	T599 K603 W604	T599-P601 WeakPolarHBondContact O-CD 3.17Å; P601-K603 HydrophobicContact CB-CG 4.32Å; P601-K603 PolarHBondContact O-N 3.47Å; P601-W604 PolarHBondContact O-N 3.23Å
602	D	91.3	Very high	77.5	Confident	101 Å²	101	72.7 Å²	72.7	54%	0.54	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-57.9	-21.9	-173.2	-55.9	-77.5	0	0	0	114.9	W604 E605 N651	D602-W604 PolarHBondContact O-N 3.29Å; D602-E605 WeakPolarHBondContact O-CB 3.14Å; D602-E605 PolarHBondContact O-N 2.93Å; D602-N651 PolarHBondContact OD1-ND2 3.34Å
603	K	90.3	Very high	79.7	Confident	117 Å²	117	72.1 Å²	72.1	51%	0.509	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-56.6	-14.4	172.2	74.4	-176.2	179.7	-172.5	0	114.2	E588 P601	E588-K603 IonicContact OE1-NZ 2.74Å; E588-K603 PolarHBondContact OE1-NZ 3.01Å; E588-K603 IonicContact OE2-NZ 3.83Å; E588-K603 PolarHBondContact OE2-NZ 3.43Å; P601-K603 HydrophobicContact CB-CG 4.32Å; P601-K603 PolarHBondContact O-N 3.47Å
604	W	92.6	Very high	81.9	Confident	34 Å²	34	66.7 Å²	66.7	13%	0.129	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-96.5	-5.9	177.7	-65.7	104.7	0	0	0	115	P582 W583 T586 V600 P601 D602 F607 V608	P582-W604 HydrophobicContact CB-CE3 4.01Å; P582-W604 HydrophobicContact CB-CH2 3.8Å; P582-W604 HydrophobicContact CB-CZ3 3.48Å; P582-W604 VanDerWaalsContact CB-CZ3 3.48Å; P582-W604 HydrophobicContact CG-CD2 4.08Å; P582-W604 HydrophobicContact CG-CE3 3.41Å; P582-W604 VanDerWaalsContact CG-CE3 3.41Å; P582-W604 HydrophobicContact CG-CH2 4.13Å; P582-W604 HydrophobicContact CG-CZ3 3.45Å; P582-W604 VanDerWaalsContact CG-CZ3 3.45Å; W583-W604 HydrophobicContact CB-CD2 4.41Å; W583-W604 HydrophobicContact CB-CG 4.44Å; W583-W604 HydrophobicContact CB-CZ2 4.29Å; W583-W604 HydrophobicContact CE3-CB 4.08Å; W583-W604 HydrophobicContact CE3-CD2 4.23Å; W583-W604 AromaticContact CE3-CG 3.9Å; W583-W604 HydrophobicContact CE3-CG 3.9Å; W583-W604 HydrophobicContact CZ3-CB 4.37Å; T586-W604 HydrophobicContact CG2-CZ2 3.81Å; V600-W604 HydrophobicContact CG1-CB 4.14Å; P601-W604 PolarHBondContact O-N 3.23Å; D602-W604 PolarHBondContact O-N 3.29Å; W604-F607 HydrophobicContact CE3-CB 4.17Å; W604-F607 HydrophobicContact CE3-CG 4.44Å; W604-F607 WeakPolarHBondContact O-CB 3.45Å; W604-F607 PolarHBondContact O-N 2.93Å; W604-V608 PolarHBondContact O-N 3.37Å
605	E	94.1	Very high	84.2	Confident	35 Å²	35	62.7 Å²	62.7	16%	0.164	31%	0.312	C	S	.	.	H	α-helix	trans	-57.5	-43.3	-179.1	-178.2	163.4	-172.3	0	0	113.9	D602 F607 V608 H609 M655 R658	D602-E605 WeakPolarHBondContact O-CB 3.14Å; D602-E605 PolarHBondContact O-N 2.93Å; E605-F607 VanDerWaalsContact C-N 3.32Å; E605-F607 PolarHBondContact O-N 3.27Å; E605-V608 WeakPolarHBondContact O-CB 3.4Å; E605-V608 PolarHBondContact O-N 3.07Å; E605-H609 WeakPolarHBondContact CG-CE1 3.46Å; E605-H609 VanDerWaalsContact CG-NE2 3.31Å; E605-H609 WeakPolarHBondContact CG-NE2 3.43Å; E605-H609 PolarHBondContact O-CD2 3.38Å; E605-H609 PolarHBondContact O-N 3.11Å; E605-H609 IonicContact OE1-CE1 3.62Å; E605-H609 PolarHBondContact OE1-CE1 3.18Å; E605-H609 IonicContact OE1-NE2 2.76Å; E605-H609 PolarHBondContact OE1-NE2 2.82Å; E605-M655 HydrophobicContact CB-CE 4.41Å; E605-M655 HydrophobicContact CB-CG 3.97Å; E605-M655 HydrophobicContact CB-SD 3.99Å; E605-M655 HydrophobicContact CG-CB 4.27Å; E605-M655 HydrophobicContact CG-CG 4.02Å; E605-R658 VanDerWaalsContact CD-NE 3.33Å; E605-R658 WeakPolarHBondContact OE1-CB 3.26Å; E605-R658 IonicContact OE1-CZ 2.68Å; E605-R658 IonicContact OE1-NE 2.94Å; E605-R658 PolarHBondContact OE1-NE 3.21Å; E605-R658 IonicContact OE1-NH2 3.99Å; E605-R658 IonicContact OE2-CZ 2.75Å; E605-R658 IonicContact OE2-NE 2.8Å; E605-R658 PolarHBondContact OE2-NE 2.84Å; E605-R658 IonicContact OE2-NH2 3.31Å; E605-R658 PolarHBondContact OE2-NH2 3.37Å
606	P	92	Very high	86.4	Confident	77 Å²	77	57.8 Å²	57.8	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-42.8	175.7	-25.2	35.4	0	0	0	112.7	V608 H609 E610	P606-V608 VanDerWaalsContact C-N 3.32Å; P606-V608 PolarHBondContact O-N 3.17Å; P606-H609 PolarHBondContact O-N 3.31Å; P606-E610 WeakPolarHBondContact O-CB 3.41Å; P606-E610 VanDerWaalsContact O-CG 3.25Å; P606-E610 WeakPolarHBondContact O-CG 3.5Å; P606-E610 PolarHBondContact O-N 2.93Å
607	F	92.9	Very high	88.2	Confident	25 Å²	25	55.4 Å²	55.4	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-39.1	175.4	178.6	-84.9	0	0	0	111.6	H512 V544 Y579 P582 W604 E605 N611	H512-F607 AromaticContact CE1-CZ 3.88Å; V544-F607 HydrophobicContact CG1-CE2 4.39Å; Y579-F607 HydrophobicContact CD1-CZ 4.23Å; Y579-F607 HydrophobicContact CE1-CE1 4.38Å; Y579-F607 HydrophobicContact CE1-CE2 4.47Å; Y579-F607 AromaticContact CE1-CZ 3.66Å; Y579-F607 HydrophobicContact CE1-CZ 3.66Å; P582-F607 HydrophobicContact CB-CE1 4.46Å; P582-F607 HydrophobicContact CB-CZ 4.37Å; P582-F607 HydrophobicContact CG-CD1 3.66Å; P582-F607 HydrophobicContact CG-CD2 4.46Å; P582-F607 HydrophobicContact CG-CE1 3.59Å; P582-F607 HydrophobicContact CG-CE2 4.39Å; P582-F607 HydrophobicContact CG-CG 4.11Å; P582-F607 HydrophobicContact CG-CZ 3.97Å; W604-F607 HydrophobicContact CE3-CB 4.17Å; W604-F607 HydrophobicContact CE3-CG 4.44Å; W604-F607 WeakPolarHBondContact O-CB 3.45Å; W604-F607 PolarHBondContact O-N 2.93Å; E605-F607 VanDerWaalsContact C-N 3.32Å; E605-F607 PolarHBondContact O-N 3.27Å; F607-N611 WeakPolarHBondContact CD2-ND2 3.46Å; F607-N611 HydrophobicContact CE1-CB 4.41Å; F607-N611 WeakPolarHBondContact CE2-ND2 3.43Å; F607-N611 VanDerWaalsContact O-CB 3.24Å; F607-N611 WeakPolarHBondContact O-CB 3.41Å; F607-N611 PolarHBondContact O-N 3.42Å; F607-N611 VanDerWaalsContact O-N 3.07Å; F607-N611 PolarHBondContact O-ND2 2.96Å
608	V	94.1	Very high	89.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-42.4	176.7	174.7	0	0	0	0	111.1	W604 E605 P606 N611 L612 Y615 L652 M655 I656	W604-V608 PolarHBondContact O-N 3.37Å; E605-V608 WeakPolarHBondContact O-CB 3.4Å; E605-V608 PolarHBondContact O-N 3.07Å; P606-V608 VanDerWaalsContact C-N 3.32Å; P606-V608 PolarHBondContact O-N 3.17Å; V608-N611 CarbonylContact O-C 3.58Å; V608-N611 PolarHBondContact O-N 2.95Å; V608-L612 WeakPolarHBondContact O-CA 3.46Å; V608-L612 PolarHBondContact O-N 3.44Å; V608-L612 VanDerWaalsContact O-N 3.1Å; V608-Y615 HydrophobicContact CB-CE2 4.25Å; V608-Y615 HydrophobicContact CG1-CD2 4.16Å; V608-Y615 HydrophobicContact CG1-CE2 4.13Å; V608-Y615 HydrophobicContact CG2-CE2 4.2Å; V608-L652 HydrophobicContact CG1-CD1 4.49Å; V608-L652 HydrophobicContact CG2-CD1 3.93Å; V608-M655 HydrophobicContact CB-CB 4.29Å; V608-M655 HydrophobicContact CG1-CB 3.98Å; V608-M655 HydrophobicContact CG2-CB 4.47Å; V608-M655 HydrophobicContact CG2-SD 3.96Å; V608-I656 HydrophobicContact CG1-CG1 3.67Å
609	H	92.1	Very high	91.1	Very high	39 Å²	39	45.2 Å²	45.2	18%	0.181	23%	0.23	C	C	.	.	H	α-helix	trans	-68.6	-46.4	179.3	-66.1	-179.8	0	0	0	112.3	E605 P606 N611 L612 M655 G659 Q662	E605-H609 WeakPolarHBondContact CG-CE1 3.46Å; E605-H609 VanDerWaalsContact CG-NE2 3.31Å; E605-H609 WeakPolarHBondContact CG-NE2 3.43Å; E605-H609 PolarHBondContact O-CD2 3.38Å; E605-H609 PolarHBondContact O-N 3.11Å; E605-H609 IonicContact OE1-CE1 3.62Å; E605-H609 PolarHBondContact OE1-CE1 3.18Å; E605-H609 IonicContact OE1-NE2 2.76Å; E605-H609 PolarHBondContact OE1-NE2 2.82Å; P606-H609 PolarHBondContact O-N 3.31Å; H609-N611 PolarHBondContact O-N 3.02Å; H609-L612 VanDerWaalsContact O-CB 3.31Å; H609-L612 WeakPolarHBondContact O-CB 3.29Å; H609-L612 PolarHBondContact O-N 3.01Å; H609-M655 PolarHBondContact CD2-O 3.08Å; H609-M655 PolarHBondContact NE2-O 2.85Å; H609-G659 VanDerWaalsContact CD2-CA 3.48Å; H609-G659 WeakPolarHBondContact CD2-CA 3.36Å; H609-G659 PolarHBondContact NE2-N 3.46Å; H609-Q662 PolarHBondContact CE1-NE2 2.95Å
610	E	88.3	Confident	91.3	Very high	95 Å²	95	47 Å²	47	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-34	175.2	-71.5	168	-177.7	0	0	112.4	Q545 Q549 P606	Q545-E610 PolarHBondContact NE2-OE1 2.99Å; Q545-E610 PolarHBondContact NE2-OE2 3.5Å; Q549-E610 PolarHBondContact NE2-O 3.09Å; P606-E610 WeakPolarHBondContact O-CB 3.41Å; P606-E610 VanDerWaalsContact O-CG 3.25Å; P606-E610 WeakPolarHBondContact O-CG 3.5Å; P606-E610 PolarHBondContact O-N 2.93Å
611	N	91.6	Very high	91.2	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.032	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	17.9	-176.6	-66.3	-86.3	0	0	0	113	Q549 Y579 F607 V608 H609 L613 L614 Y615	Q549-N611 WeakPolarHBondContact CG-OD1 3.41Å; Q549-N611 VanDerWaalsContact NE2-CG 3.29Å; Q549-N611 PolarHBondContact NE2-ND2 3.48Å; Q549-N611 PolarHBondContact NE2-OD1 3.35Å; Y579-N611 HydrophobicContact CE1-CB 4.36Å; Y579-N611 VanDerWaalsContact CE1-OD1 3.25Å; Y579-N611 WeakPolarHBondContact CE1-OD1 3.45Å; Y579-N611 PolarHBondContact OH-OD1 3.2Å; F607-N611 WeakPolarHBondContact CD2-ND2 3.46Å; F607-N611 HydrophobicContact CE1-CB 4.41Å; F607-N611 WeakPolarHBondContact CE2-ND2 3.43Å; F607-N611 VanDerWaalsContact O-CB 3.24Å; F607-N611 WeakPolarHBondContact O-CB 3.41Å; F607-N611 PolarHBondContact O-N 3.42Å; F607-N611 VanDerWaalsContact O-N 3.07Å; F607-N611 PolarHBondContact O-ND2 2.96Å; V608-N611 CarbonylContact O-C 3.58Å; V608-N611 PolarHBondContact O-N 2.95Å; H609-N611 PolarHBondContact O-N 3.02Å; N611-L613 PolarHBondContact O-N 3.17Å; N611-L614 HydrophobicContact CB-CD1 4.22Å; N611-L614 WeakPolarHBondContact O-CA 3.46Å; N611-L614 WeakPolarHBondContact O-CB 3.45Å; N611-L614 PolarHBondContact O-N 2.83Å; N611-Y615 HydrophobicContact CB-CD2 4.4Å; N611-Y615 HydrophobicContact CB-CE2 4.02Å; N611-Y615 WeakPolarHBondContact O-CD2 3.43Å
612	L	90.3	Very high	91.3	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	23%	0.229	C	C	.	.	H	α-helix	trans	-53.3	-33.9	-168.4	-172.2	64.9	0	0	0	114.3	V608 H609 L614 Y615 T616 I656 E660	V608-L612 WeakPolarHBondContact O-CA 3.46Å; V608-L612 PolarHBondContact O-N 3.44Å; V608-L612 VanDerWaalsContact O-N 3.1Å; H609-L612 VanDerWaalsContact O-CB 3.31Å; H609-L612 WeakPolarHBondContact O-CB 3.29Å; H609-L612 PolarHBondContact O-N 3.01Å; L612-L614 VanDerWaalsContact C-N 3.3Å; L612-L614 PolarHBondContact O-N 3.22Å; L612-Y615 PolarHBondContact O-N 3.1Å; L612-T616 HydrophobicContact CD1-CG2 3.93Å; L612-T616 HydrophobicContact CG-CG2 4.09Å; L612-T616 WeakPolarHBondContact O-CB 3.4Å; L612-T616 WeakPolarHBondContact O-CG2 3.45Å; L612-T616 PolarHBondContact O-N 2.91Å; L612-T616 PolarHBondContact O-OG1 3.01Å; L612-I656 HydrophobicContact CD1-CG2 3.99Å; L612-E660 HydrophobicContact CD1-CG 4.13Å; L612-E660 HydrophobicContact CD2-CG 4.07Å; L612-E660 HydrophobicContact CG-CG 4.46Å
613	L	88.8	Confident	91.3	Very high	90 Å²	90	43 Å²	43	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-67	-28.6	177.2	-56.9	-179.3	0	0	0	113.1	Y553 N611 K617 L618	Y553-L613 HydrophobicContact CD2-CB 4.02Å; Y553-L613 HydrophobicContact CE2-CB 3.43Å; Y553-L613 VanDerWaalsContact CE2-CB 3.43Å; Y553-L613 HydrophobicContact CE2-CD1 4.45Å; N611-L613 PolarHBondContact O-N 3.17Å; L613-K617 HydrophobicContact CB-CG 4.37Å; L613-K617 HydrophobicContact CD2-CG 3.86Å; L613-K617 WeakPolarHBondContact O-CA 3.06Å; L613-K617 WeakPolarHBondContact O-CB 3.28Å; L613-K617 PolarHBondContact O-N 2.96Å; L613-L618 PolarHBondContact O-N 3.16Å
614	L	91.8	Very high	91.2	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-74	-28.7	174.3	-66.6	167.4	0	0	0	111.8	Y553 L556 W576 Y579 I580 N611 L612 L618	Y553-L614 HydrophobicContact CD2-CD2 3.57Å; Y553-L614 HydrophobicContact CD2-CG 3.9Å; Y553-L614 HydrophobicContact CE2-CD2 4.49Å; Y553-L614 HydrophobicContact CG-CD2 4.28Å; L556-L614 HydrophobicContact CD1-CD2 4.31Å; W576-L614 PolarHBondContact NE1-O 3.24Å; Y579-L614 HydrophobicContact CD1-CD1 3.6Å; Y579-L614 HydrophobicContact CE1-CD1 3.21Å; I580-L614 HydrophobicContact CG2-CB 4.05Å; N611-L614 HydrophobicContact CB-CD1 4.22Å; N611-L614 WeakPolarHBondContact O-CA 3.46Å; N611-L614 WeakPolarHBondContact O-CB 3.45Å; N611-L614 PolarHBondContact O-N 2.83Å; L612-L614 VanDerWaalsContact C-N 3.3Å; L612-L614 PolarHBondContact O-N 3.22Å; L614-L618 HydrophobicContact CD2-CD1 3.4Å; L614-L618 VanDerWaalsContact CD2-CD1 3.4Å; L614-L618 HydrophobicContact CD2-CG 4.14Å
615	Y	93.5	Very high	91.1	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-80	-39	172.3	-67.7	-84.7	0	0	0	112.3	I580 V608 N611 L612 F619 L647 L652 I656	I580-Y615 HydrophobicContact CB-CD1 4.18Å; I580-Y615 HydrophobicContact CB-CE1 3.61Å; I580-Y615 HydrophobicContact CD1-CD1 4.34Å; I580-Y615 HydrophobicContact CD1-CE1 4.33Å; I580-Y615 HydrophobicContact CG1-CE1 4.48Å; I580-Y615 HydrophobicContact CG2-CD1 4.43Å; I580-Y615 HydrophobicContact CG2-CE1 4.21Å; I580-Y615 PolarHBondContact O-OH 3.09Å; I580-Y615 VanDerWaalsContact O-OH 3.06Å; V608-Y615 HydrophobicContact CB-CE2 4.25Å; V608-Y615 HydrophobicContact CG1-CD2 4.16Å; V608-Y615 HydrophobicContact CG1-CE2 4.13Å; V608-Y615 HydrophobicContact CG2-CE2 4.2Å; N611-Y615 HydrophobicContact CB-CD2 4.4Å; N611-Y615 HydrophobicContact CB-CE2 4.02Å; N611-Y615 WeakPolarHBondContact O-CD2 3.43Å; L612-Y615 PolarHBondContact O-N 3.1Å; Y615-F619 WeakPolarHBondContact O-CB 3.36Å; Y615-L647 HydrophobicContact CD1-CD2 4.42Å; Y615-L652 HydrophobicContact CD1-CD1 4.39Å; Y615-L652 HydrophobicContact CE1-CD1 3.89Å; Y615-L652 HydrophobicContact CE1-CD2 4.46Å; Y615-I656 HydrophobicContact CD1-CD1 3.82Å; Y615-I656 HydrophobicContact CD1-CG1 4.28Å; Y615-I656 HydrophobicContact CG-CD1 4.09Å; Y615-I656 HydrophobicContact CG-CG1 4.19Å
616	T	89.6	Confident	90.9	Very high	24 Å²	24	39.8 Å²	39.8	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-96.1	-61	-170.9	58.8	0	0	0	0	113.4	L612 F619 Q620 I656 E660	L612-T616 HydrophobicContact CD1-CG2 3.93Å; L612-T616 HydrophobicContact CG-CG2 4.09Å; L612-T616 WeakPolarHBondContact O-CB 3.4Å; L612-T616 WeakPolarHBondContact O-CG2 3.45Å; L612-T616 PolarHBondContact O-N 2.91Å; L612-T616 PolarHBondContact O-OG1 3.01Å; T616-F619 PolarHBondContact O-N 3.36Å; T616-Q620 PolarHBondContact O-N 3.35Å; T616-I656 HydrophobicContact CG2-CG2 4.05Å; T616-E660 HydrophobicContact CG2-CG 4.24Å; T616-E660 VanDerWaalsContact CG2-OE1 3.26Å; T616-E660 WeakPolarHBondContact CG2-OE1 3.37Å
617	K	88.3	Confident	90.7	Very high	105 Å²	105	39.6 Å²	39.6	46%	0.457	20%	0.203	S	C	.	.	H	α-helix	trans	-71.9	-40.2	-173.5	-59.2	-55.5	-176.6	-170.2	0	112.8	L613 F619 Q620 G621	L613-K617 HydrophobicContact CB-CG 4.37Å; L613-K617 HydrophobicContact CD2-CG 3.86Å; L613-K617 WeakPolarHBondContact O-CA 3.06Å; L613-K617 WeakPolarHBondContact O-CB 3.28Å; L613-K617 PolarHBondContact O-N 2.96Å; K617-F619 VanDerWaalsContact C-N 3.33Å; K617-Q620 PolarHBondContact O-N 3.4Å; K617-G621 PolarHBondContact O-N 3.4Å
618	L	91.4	Very high	90.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-31.1	173.2	-67.2	-166.8	0	0	0	112.6	Y553 L556 Q557 F560 W576 L613 L614 G621 F622	Y553-L618 HydrophobicContact CE2-CG 4.46Å; L556-L618 HydrophobicContact CB-CD1 3.66Å; L556-L618 HydrophobicContact CD1-CD1 3.92Å; L556-L618 HydrophobicContact CG-CD1 4.45Å; Q557-L618 HydrophobicContact CB-CD2 3.79Å; Q557-L618 HydrophobicContact CG-CD2 4.24Å; F560-L618 WeakPolarHBondContact CE1-O 3.28Å; W576-L618 HydrophobicContact CG-CD1 4.29Å; W576-L618 HydrophobicContact CZ2-CB 4.49Å; L613-L618 PolarHBondContact O-N 3.16Å; L614-L618 HydrophobicContact CD2-CD1 3.4Å; L614-L618 VanDerWaalsContact CD2-CD1 3.4Å; L614-L618 HydrophobicContact CD2-CG 4.14Å; L618-G621 CarbonylContact O-C 3.42Å; L618-G621 PolarHBondContact O-N 2.82Å; L618-F622 PolarHBondContact O-N 2.72Å
619	F	93.9	Very high	90.3	Very high	49 Å²	49	47.4 Å²	47.4	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-70.2	-39	172.5	-178.8	-131.1	0	0	0	112.1	W576 Y615 T616 K617 G621 F622 L623 L647	W576-F619 HydrophobicContact CH2-CB 4.23Å; W576-F619 HydrophobicContact CH2-CD2 4.15Å; W576-F619 HydrophobicContact CZ2-CB 4.13Å; Y615-F619 WeakPolarHBondContact O-CB 3.36Å; T616-F619 PolarHBondContact O-N 3.36Å; K617-F619 VanDerWaalsContact C-N 3.33Å; F619-G621 VanDerWaalsContact C-N 3.28Å; F619-G621 PolarHBondContact O-N 2.78Å; F619-F622 HydrophobicContact CD2-CB 4.24Å; F619-F622 HydrophobicContact CD2-CD1 4.26Å; F619-F622 HydrophobicContact CE2-CD1 4.26Å; F619-F622 WeakPolarHBondContact O-CA 3.34Å; F619-F622 VanDerWaalsContact O-CB 3.31Å; F619-F622 WeakPolarHBondContact O-CB 3.18Å; F619-F622 PolarHBondContact O-N 2.99Å; F619-L623 HydrophobicContact CD1-CD1 4.35Å; F619-L623 HydrophobicContact CD2-CG 4.26Å; F619-L623 HydrophobicContact CE1-CD1 3.91Å; F619-L623 HydrophobicContact CE1-CG 4.49Å; F619-L623 HydrophobicContact CE2-CD1 4.2Å; F619-L623 HydrophobicContact CE2-CD2 3.86Å; F619-L623 HydrophobicContact CE2-CG 3.89Å; F619-L623 HydrophobicContact CZ-CD1 3.83Å; F619-L623 HydrophobicContact CZ-CD2 3.98Å; F619-L623 HydrophobicContact CZ-CG 4.03Å; F619-L623 WeakPolarHBondContact O-CG 3.22Å; F619-L623 PolarHBondContact O-N 2.82Å; F619-L647 HydrophobicContact CB-CD1 4.23Å; F619-L647 HydrophobicContact CD1-CD1 3.81Å; F619-L647 HydrophobicContact CD2-CD1 3.33Å; F619-L647 HydrophobicContact CE1-CD1 3.92Å; F619-L647 HydrophobicContact CE2-CD1 3.46Å; F619-L647 VanDerWaalsContact CE2-CD1 3.46Å; F619-L647 HydrophobicContact CG-CD1 3.52Å; F619-L647 HydrophobicContact CZ-CD1 3.75Å
620	Q	89.1	Confident	90.1	Very high	107 Å²	107	49.6 Å²	49.6	50%	0.5	25%	0.248	S	C	.	.	H	α-helix	trans	-58.6	-42.2	169.4	-170.3	-178.9	15.2	0	0	111.3	T616 K617 L623 N624	T616-Q620 PolarHBondContact O-N 3.35Å; K617-Q620 PolarHBondContact O-N 3.4Å; Q620-L623 PolarHBondContact O-N 3.03Å; Q620-N624 WeakPolarHBondContact O-CB 3.48Å; Q620-N624 VanDerWaalsContact O-CG 3.28Å; Q620-N624 PolarHBondContact O-N 2.93Å; Q620-N624 PolarHBondContact O-ND2 3.07Å
621	G	87.6	Confident	90.1	Very high	23 Å²	23	46.4 Å²	46.4	24%	0.237	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-40.3	171	0	0	0	0	0	113.2	K617 L618 F619 R625	K617-G621 PolarHBondContact O-N 3.4Å; L618-G621 CarbonylContact O-C 3.42Å; L618-G621 PolarHBondContact O-N 2.82Å; F619-G621 VanDerWaalsContact C-N 3.28Å; F619-G621 PolarHBondContact O-N 2.78Å; G621-R625 VanDerWaalsContact O-CB 3.32Å; G621-R625 WeakPolarHBondContact O-CB 3.39Å; G621-R625 PolarHBondContact O-N 3.19Å; G621-R625 VanDerWaalsContact O-N 3.14Å
622	F	94.3	Very high	90.1	Very high	9 Å²	9	51.4 Å²	51.4	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-47.8	175.7	-173.4	-114	0	0	0	111.8	F560 F569 L573 W576 L618 F619 R625 A626 V640 A643	F560-F622 HydrophobicContact CD1-CB 4.46Å; F560-F622 HydrophobicContact CE1-CB 3.89Å; F560-F622 HydrophobicContact CE1-CD2 4.22Å; F569-F622 HydrophobicContact CE1-CD2 4.16Å; F569-F622 HydrophobicContact CE1-CE2 4.14Å; L573-F622 HydrophobicContact CD1-CD2 3.88Å; L573-F622 HydrophobicContact CD1-CE2 3.59Å; L573-F622 HydrophobicContact CD1-CZ 4.17Å; W576-F622 HydrophobicContact CZ3-CG 4.46Å; L618-F622 PolarHBondContact O-N 2.72Å; F619-F622 HydrophobicContact CD2-CB 4.24Å; F619-F622 HydrophobicContact CD2-CD1 4.26Å; F619-F622 HydrophobicContact CE2-CD1 4.26Å; F619-F622 WeakPolarHBondContact O-CA 3.34Å; F619-F622 VanDerWaalsContact O-CB 3.31Å; F619-F622 WeakPolarHBondContact O-CB 3.18Å; F619-F622 PolarHBondContact O-N 2.99Å; F622-R625 WeakPolarHBondContact O-CB 3.42Å; F622-R625 PolarHBondContact O-N 3.14Å; F622-A626 HydrophobicContact CE1-CB 4.5Å; F622-A626 WeakPolarHBondContact O-CB 3.32Å; F622-A626 PolarHBondContact O-N 3.23Å; F622-V640 HydrophobicContact CE1-CG2 4.38Å; F622-V640 HydrophobicContact CZ-CB 4.5Å; F622-V640 HydrophobicContact CZ-CG2 4.09Å; F622-A643 HydrophobicContact CD1-CB 3.82Å; F622-A643 HydrophobicContact CE1-CB 3.42Å; F622-A643 VanDerWaalsContact CE1-CB 3.42Å; F622-A643 HydrophobicContact CZ-CB 3.87Å
623	L	90.3	Very high	90	Very high	42 Å²	42	53.8 Å²	53.8	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-47.3	-179.5	-66	175.8	0	0	0	111	L417 F420 F619 Q620 R625 A626 T627	L417-L623 HydrophobicContact CD1-CD1 4.32Å; F420-L623 HydrophobicContact CE1-CD2 4.49Å; F619-L623 HydrophobicContact CD1-CD1 4.35Å; F619-L623 HydrophobicContact CD2-CG 4.26Å; F619-L623 HydrophobicContact CE1-CD1 3.91Å; F619-L623 HydrophobicContact CE1-CG 4.49Å; F619-L623 HydrophobicContact CE2-CD1 4.2Å; F619-L623 HydrophobicContact CE2-CD2 3.86Å; F619-L623 HydrophobicContact CE2-CG 3.89Å; F619-L623 HydrophobicContact CZ-CD1 3.83Å; F619-L623 HydrophobicContact CZ-CD2 3.98Å; F619-L623 HydrophobicContact CZ-CG 4.03Å; F619-L623 WeakPolarHBondContact O-CG 3.22Å; F619-L623 PolarHBondContact O-N 2.82Å; Q620-L623 PolarHBondContact O-N 3.03Å; L623-R625 PolarHBondContact O-N 3.39Å; L623-R625 VanDerWaalsContact O-N 3.08Å; L623-A626 PolarHBondContact O-N 3.18Å; L623-A626 VanDerWaalsContact O-N 3.16Å; L623-T627 WeakPolarHBondContact O-CG2 3.08Å; L623-T627 PolarHBondContact O-N 2.85Å
624	N	88.3	Confident	90	Very high	99 Å²	99	53.1 Å²	53.1	53%	0.529	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-19	175.2	-73.9	-17.9	0	0	0	114.3	Q620 T627	Q620-N624 WeakPolarHBondContact O-CB 3.48Å; Q620-N624 VanDerWaalsContact O-CG 3.28Å; Q620-N624 PolarHBondContact O-N 2.93Å; Q620-N624 PolarHBondContact O-ND2 3.07Å; N624-T627 PolarHBondContact O-OG1 3.16Å
625	R	91.9	Very high	89.9	Confident	14 Å²	14	59.5 Å²	59.5	5%	0.053	31%	0.312	C	S	.	.	H	α-helix	trans	-91.2	-46.8	174.8	-175	179.8	-179.7	78.2	13	111.2	F560 W563 P564 L565 F569 G621 F622 L623 T627 R628 T629	F560-R625 PolarHBondContact O-NH1 2.96Å; W563-R625 VanDerWaalsContact O-CZ 3.25Å; W563-R625 PolarHBondContact O-NH1 3.37Å; W563-R625 PolarHBondContact O-NH2 3.02Å; P564-R625 PolarHBondContact O-NH2 3.29Å; L565-R625 HydrophobicContact CD2-CG 3.78Å; F569-R625 VanDerWaalsContact CZ-CD 3.49Å; G621-R625 VanDerWaalsContact O-CB 3.32Å; G621-R625 WeakPolarHBondContact O-CB 3.39Å; G621-R625 PolarHBondContact O-N 3.19Å; G621-R625 VanDerWaalsContact O-N 3.14Å; F622-R625 WeakPolarHBondContact O-CB 3.42Å; F622-R625 PolarHBondContact O-N 3.14Å; L623-R625 PolarHBondContact O-N 3.39Å; L623-R625 VanDerWaalsContact O-N 3.08Å; R625-T627 PolarHBondContact O-N 3.48Å; R625-R628 PolarHBondContact O-N 3.03Å; R625-T629 PolarHBondContact O-N 2.93Å; R625-T629 PolarHBondContact O-OG1 3.37Å; R625-T629 VanDerWaalsContact O-OG1 3.1Å
626	A	89.3	Confident	89.7	Confident	7 Å²	7	59.7 Å²	59.7	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-29.2	177.7	0	0	0	0	0	113.1	F622 L623 R628 T629 V640	F622-A626 HydrophobicContact CE1-CB 4.5Å; F622-A626 WeakPolarHBondContact O-CB 3.32Å; F622-A626 PolarHBondContact O-N 3.23Å; L623-A626 PolarHBondContact O-N 3.18Å; L623-A626 VanDerWaalsContact O-N 3.16Å; A626-R628 PolarHBondContact O-N 3.36Å; A626-T629 PolarHBondContact O-N 3.44Å; A626-V640 HydrophobicContact CB-CG2 4.12Å
627	T	88.4	Confident	89.8	Confident	73 Å²	73	59.8 Å²	59.8	45%	0.448	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.1	171.1	60.3	0	0	0	0	113.9	F420 L623 N624 R625	F420-T627 HydrophobicContact CD2-CG2 3.91Å; F420-T627 HydrophobicContact CE2-CG2 3.19Å; F420-T627 HydrophobicContact CZ-CG2 3.56Å; L623-T627 WeakPolarHBondContact O-CG2 3.08Å; L623-T627 PolarHBondContact O-N 2.85Å; N624-T627 PolarHBondContact O-OG1 3.16Å; R625-T627 PolarHBondContact O-N 3.48Å
628	R	89.8	Confident	89.9	Confident	166 Å²	166	58 Å²	58	63%	0.626	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-5.2	-174.6	-64.2	169.8	61	-159	-1.7	113.3	L565 R625 A626	L565-R628 HydrophobicContact CD1-CB 3.97Å; L565-R628 HydrophobicContact CD2-CB 4.49Å; R625-R628 PolarHBondContact O-N 3.03Å; A626-R628 PolarHBondContact O-N 3.36Å
629	T	88.4	Confident	90	Very high	22 Å²	22	58.3 Å²	58.3	14%	0.135	31%	0.313	C	S	.	.	S	Bend	trans	-93.2	136.7	-178	-58.7	0	0	0	0	109.8	R625 A626 L631 N636	R625-T629 PolarHBondContact O-N 2.93Å; R625-T629 PolarHBondContact O-OG1 3.37Å; R625-T629 VanDerWaalsContact O-OG1 3.1Å; A626-T629 PolarHBondContact O-N 3.44Å; T629-L631 PolarHBondContact O-N 3.11Å; T629-L631 VanDerWaalsContact O-N 3.16Å; T629-N636 HydrophobicContact CG2-CB 3.75Å; T629-N636 WeakPolarHBondContact CG2-ND2 3.44Å
630	D	87.1	Confident	90	Very high	86 Å²	86	58.3 Å²	58.3	46%	0.46	32%	0.317	S	S	.	.			trans	-61	117.3	169.6	167.8	38.3	0	0	0	110.7	V632 N633 N636	D630-V632 VanDerWaalsContact OD1-CB 3.25Å; D630-V632 WeakPolarHBondContact OD1-CB 3.45Å; D630-V632 WeakPolarHBondContact OD1-CG2 3.48Å; D630-V632 PolarHBondContact OD1-N 3.15Å; D630-N633 VanDerWaalsContact OD2-CB 3.28Å; D630-N633 WeakPolarHBondContact OD2-CB 3.42Å; D630-N633 PolarHBondContact OD2-N 2.89Å; D630-N636 WeakPolarHBondContact O-CB 3.26Å; D630-N636 PolarHBondContact O-ND2 3.18Å
631	L	88.8	Confident	90.1	Very high	27 Å²	27	56.2 Å²	56.2	14%	0.141	31%	0.306	C	S	.	.	S	Bend	trans	-97.3	-1.9	177.5	-58.1	-175.9	0	0	0	113.5	I424 T629 N633 N636 V640	I424-L631 HydrophobicContact CD1-CD1 3.83Å; I424-L631 HydrophobicContact CG1-CD1 4.38Å; I424-L631 HydrophobicContact CG2-CD1 4.11Å; T629-L631 PolarHBondContact O-N 3.11Å; T629-L631 VanDerWaalsContact O-N 3.16Å; L631-N633 VanDerWaalsContact C-N 3.27Å; L631-N636 HydrophobicContact CD2-CB 4.38Å; L631-V640 HydrophobicContact CD2-CG2 3.76Å
632	V	91.1	Very high	90.5	Very high	112 Å²	112	60.4 Å²	60.4	68%	0.679	32%	0.315	S	S	*	.	S	Bend	trans	-67.9	-34.4	167.5	-174.5	0	0	0	0	109.5	D630 A634	D630-V632 VanDerWaalsContact OD1-CB 3.25Å; D630-V632 WeakPolarHBondContact OD1-CB 3.45Å; D630-V632 WeakPolarHBondContact OD1-CG2 3.48Å; D630-V632 PolarHBondContact OD1-N 3.15Å; V632-A634 PolarHBondContact O-N 3.21Å
633	N	87.9	Confident	90.5	Very high	66 Å²	66	60 Å²	60	35%	0.353	31%	0.313	S	S	.	.	S	Bend	trans	-63.8	114.4	170	-170.8	-37.8	0	0	0	112.2	D630 L631 K635 N636 A637	D630-N633 VanDerWaalsContact OD2-CB 3.28Å; D630-N633 WeakPolarHBondContact OD2-CB 3.42Å; D630-N633 PolarHBondContact OD2-N 2.89Å; L631-N633 VanDerWaalsContact C-N 3.27Å; N633-K635 PolarHBondContact O-N 3.4Å; N633-K635 VanDerWaalsContact O-N 3.12Å; N633-K635 WeakPolarHBondContact OD1-CB 3.47Å; N633-K635 PolarHBondContact OD1-N 2.88Å; N633-N636 HydrophobicContact CB-CB 4.3Å; N633-N636 WeakPolarHBondContact O-CB 3.43Å; N633-N636 PolarHBondContact O-N 2.83Å; N633-A637 PolarHBondContact O-N 2.85Å
634	A	90.1	Very high	90.6	Very high	76 Å²	76	59.2 Å²	59.2	63%	0.628	31%	0.312	S	S	*	.	H	α-helix	trans	-57.7	-27.7	-178.9	0	0	0	0	0	114.6	V632 N636 L638	V632-A634 PolarHBondContact O-N 3.21Å; A634-N636 VanDerWaalsContact C-N 3.34Å; A634-L638 VanDerWaalsContact O-CB 3.22Å; A634-L638 WeakPolarHBondContact O-CB 3.41Å; A634-L638 PolarHBondContact O-N 3.35Å
635	K	89.9	Confident	90.7	Very high	137 Å²	137	60.8 Å²	60.8	60%	0.596	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-36.8	174.4	-62.5	-175.7	-179.7	-179.7	0	111.3	A567 N633 M639	A567-K635 HydrophobicContact CB-CB 4.11Å; A567-K635 HydrophobicContact CB-CD 3.88Å; N633-K635 PolarHBondContact O-N 3.4Å; N633-K635 VanDerWaalsContact O-N 3.12Å; N633-K635 WeakPolarHBondContact OD1-CB 3.47Å; N633-K635 PolarHBondContact OD1-N 2.88Å; K635-M639 PolarHBondContact O-N 3.35Å
636	N	89	Confident	90.8	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.043	32%	0.315	C	S	.	.	H	α-helix	trans	-78.5	-42	-179.8	-63.8	-9.9	0	0	0	111.4	T629 D630 L631 N633 A634 L638 M639 V640	T629-N636 HydrophobicContact CG2-CB 3.75Å; T629-N636 WeakPolarHBondContact CG2-ND2 3.44Å; D630-N636 WeakPolarHBondContact O-CB 3.26Å; D630-N636 PolarHBondContact O-ND2 3.18Å; L631-N636 HydrophobicContact CD2-CB 4.38Å; N633-N636 HydrophobicContact CB-CB 4.3Å; N633-N636 WeakPolarHBondContact O-CB 3.43Å; N633-N636 PolarHBondContact O-N 2.83Å; A634-N636 VanDerWaalsContact C-N 3.34Å; N636-L638 VanDerWaalsContact C-N 3.26Å; N636-L638 PolarHBondContact O-N 2.91Å; N636-M639 HydrophobicContact CB-CE 4.3Å; N636-M639 WeakPolarHBondContact O-CB 3.26Å; N636-M639 PolarHBondContact O-N 2.99Å; N636-M639 VanDerWaalsContact OD1-CE 3.28Å; N636-M639 WeakPolarHBondContact OD1-CE 3.33Å; N636-V640 PolarHBondContact O-N 3.21Å
637	A	90.3	Very high	91	Very high	26 Å²	26	61.3 Å²	61.3	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-40.2	170	0	0	0	0	0	111.9	N633 M639 V640 F641	N633-A637 PolarHBondContact O-N 2.85Å; A637-M639 VanDerWaalsContact C-N 3.31Å; A637-M639 PolarHBondContact O-N 3.42Å; A637-V640 PolarHBondContact O-N 3.38Å; A637-F641 PolarHBondContact O-N 3.01Å
638	L	91.6	Very high	91	Very high	68 Å²	68	59 Å²	59	36%	0.356	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-33.8	174.4	-179.1	62.8	0	0	0	112.6	A634 N636 F641 R642	A634-L638 VanDerWaalsContact O-CB 3.22Å; A634-L638 WeakPolarHBondContact O-CB 3.41Å; A634-L638 PolarHBondContact O-N 3.35Å; N636-L638 VanDerWaalsContact C-N 3.26Å; N636-L638 PolarHBondContact O-N 2.91Å; L638-F641 HydrophobicContact CD1-CD1 4.11Å; L638-F641 PolarHBondContact O-N 3.14Å; L638-R642 HydrophobicContact CD1-CG 4.23Å; L638-R642 HydrophobicContact CG-CG 4.32Å; L638-R642 WeakPolarHBondContact O-CB 3.15Å; L638-R642 WeakPolarHBondContact O-CG 3.33Å; L638-R642 PolarHBondContact O-N 3.01Å
639	M	93.6	Very high	91	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.034	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-46.6	173.8	-76	-164.6	-76.4	0	0	111.8	F569 R570 L573 K635 N636 A637 R642 A643	F569-M639 HydrophobicContact CB-SD 4.38Å; F569-M639 HydrophobicContact CD1-SD 3.95Å; R570-M639 VanDerWaalsContact CA-SD 3.56Å; R570-M639 HydrophobicContact CB-CG 4.45Å; R570-M639 HydrophobicContact CB-SD 3.93Å; R570-M639 PolarHBondContact N-SD 3.47Å; R570-M639 VanDerWaalsContact N-SD 3.4Å; L573-M639 HydrophobicContact CD2-CB 3.59Å; L573-M639 HydrophobicContact CD2-CG 3.62Å; L573-M639 HydrophobicContact CD2-SD 4.2Å; K635-M639 PolarHBondContact O-N 3.35Å; N636-M639 HydrophobicContact CB-CE 4.3Å; N636-M639 WeakPolarHBondContact O-CB 3.26Å; N636-M639 PolarHBondContact O-N 2.99Å; N636-M639 VanDerWaalsContact OD1-CE 3.28Å; N636-M639 WeakPolarHBondContact OD1-CE 3.33Å; A637-M639 VanDerWaalsContact C-N 3.31Å; A637-M639 PolarHBondContact O-N 3.42Å; M639-R642 PolarHBondContact O-N 3.19Å; M639-A643 PolarHBondContact O-N 3.06Å
640	V	93.5	Very high	91.2	Very high	49 Å²	49	55.1 Å²	55.1	30%	0.297	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-45.4	176.4	-178.6	0	0	0	0	111.1	F622 A626 L631 N636 A637 R642 A643 A644	F622-V640 HydrophobicContact CE1-CG2 4.38Å; F622-V640 HydrophobicContact CZ-CB 4.5Å; F622-V640 HydrophobicContact CZ-CG2 4.09Å; A626-V640 HydrophobicContact CB-CG2 4.12Å; L631-V640 HydrophobicContact CD2-CG2 3.76Å; N636-V640 PolarHBondContact O-N 3.21Å; A637-V640 PolarHBondContact O-N 3.38Å; V640-R642 VanDerWaalsContact C-N 3.33Å; V640-R642 PolarHBondContact O-N 3.48Å; V640-A643 PolarHBondContact O-N 3.05Å; V640-A644 WeakPolarHBondContact O-CB 3.37Å; V640-A644 PolarHBondContact O-N 3.07Å
641	F	91.9	Very high	91.4	Very high	63 Å²	63	52.1 Å²	52.1	28%	0.276	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-38.5	175.2	173.5	-102.2	0	0	0	113.1	F398 I402 A637 L638 K645	F398-F641 HydrophobicContact CE2-CD1 4.45Å; F398-F641 AromaticContact CE2-CD2 3.49Å; F398-F641 HydrophobicContact CE2-CD2 3.49Å; F398-F641 VanDerWaalsContact CE2-CD2 3.49Å; F398-F641 AromaticContact CE2-CE2 3.62Å; F398-F641 HydrophobicContact CE2-CE2 3.62Å; F398-F641 AromaticContact CE2-CG 3.93Å; F398-F641 HydrophobicContact CE2-CG 3.93Å; F398-F641 HydrophobicContact CE2-CZ 4.17Å; F398-F641 HydrophobicContact CZ-CB 3.84Å; F398-F641 HydrophobicContact CZ-CD1 4.4Å; F398-F641 AromaticContact CZ-CD2 3.5Å; F398-F641 HydrophobicContact CZ-CD2 3.5Å; F398-F641 HydrophobicContact CZ-CE2 4.14Å; F398-F641 AromaticContact CZ-CG 3.64Å; F398-F641 HydrophobicContact CZ-CG 3.64Å; I402-F641 HydrophobicContact CD1-CD2 4.11Å; A637-F641 PolarHBondContact O-N 3.01Å; L638-F641 HydrophobicContact CD1-CD1 4.11Å; L638-F641 PolarHBondContact O-N 3.14Å; F641-K645 HydrophobicContact CE1-CD 4.17Å; F641-K645 HydrophobicContact CZ-CD 4.07Å; F641-K645 WeakPolarHBondContact O-CB 3.49Å; F641-K645 PolarHBondContact O-N 3.24Å
642	R	94.6	Very high	91.7	Very high	112 Å²	112	50.9 Å²	50.9	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-45.7	177.5	-74.7	-80.5	178	165.8	1.5	111.6	L573 L577 L638 M639 V640 K645 V646	L573-R642 HydrophobicContact CD2-CB 4.43Å; L577-R642 HydrophobicContact CD1-CB 4.02Å; L638-R642 HydrophobicContact CD1-CG 4.23Å; L638-R642 HydrophobicContact CG-CG 4.32Å; L638-R642 WeakPolarHBondContact O-CB 3.15Å; L638-R642 WeakPolarHBondContact O-CG 3.33Å; L638-R642 PolarHBondContact O-N 3.01Å; M639-R642 PolarHBondContact O-N 3.19Å; V640-R642 VanDerWaalsContact C-N 3.33Å; V640-R642 PolarHBondContact O-N 3.48Å; R642-K645 PolarHBondContact O-N 2.96Å; R642-V646 WeakPolarHBondContact O-CG2 3.45Å; R642-V646 PolarHBondContact O-N 3.43Å
643	A	94.8	Very high	91.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-49.2	176.1	0	0	0	0	0	111.5	L573 W576 F622 M639 V640 K645 V646 L647	L573-A643 HydrophobicContact CD1-CB 4.25Å; W576-A643 HydrophobicContact CZ3-CB 4.15Å; F622-A643 HydrophobicContact CD1-CB 3.82Å; F622-A643 HydrophobicContact CE1-CB 3.42Å; F622-A643 VanDerWaalsContact CE1-CB 3.42Å; F622-A643 HydrophobicContact CZ-CB 3.87Å; M639-A643 PolarHBondContact O-N 3.06Å; V640-A643 PolarHBondContact O-N 3.05Å; A643-K645 PolarHBondContact O-N 3.25Å; A643-V646 PolarHBondContact O-N 2.84Å; A643-V646 VanDerWaalsContact O-N 3.11Å; A643-L647 PolarHBondContact O-N 3.38Å
644	A	92.4	Very high	92	Very high	24 Å²	24	47.6 Å²	47.6	20%	0.198	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-48.9	176.4	0	0	0	0	0	111.3	V640 V646 L647 A648	V640-A644 WeakPolarHBondContact O-CB 3.37Å; V640-A644 PolarHBondContact O-N 3.07Å; A644-V646 PolarHBondContact O-N 3.16Å; A644-V646 VanDerWaalsContact O-N 3.15Å; A644-L647 PolarHBondContact O-N 3.3Å; A644-A648 WeakPolarHBondContact O-CA 3.25Å; A644-A648 WeakPolarHBondContact O-CB 3.34Å; A644-A648 PolarHBondContact O-N 3.33Å
645	K	90.8	Very high	92.2	Very high	132 Å²	132	44 Å²	44	57%	0.574	23%	0.231	S	C	*	.	H	α-helix	trans	-62.1	-19.9	179	179.6	171.5	177	-178.5	0	114.3	F641 R642 A643	F641-K645 HydrophobicContact CE1-CD 4.17Å; F641-K645 HydrophobicContact CZ-CD 4.07Å; F641-K645 WeakPolarHBondContact O-CB 3.49Å; F641-K645 PolarHBondContact O-N 3.24Å; R642-K645 PolarHBondContact O-N 2.96Å; A643-K645 PolarHBondContact O-N 3.25Å
646	V	93.4	Very high	92.3	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-83.6	-53.2	174.5	171.6	0	0	0	0	110.8	L577 I580 Q581 R642 A643 A644 A648 Q649	L577-V646 HydrophobicContact CD1-CG2 4.25Å; L577-V646 HydrophobicContact CD2-CB 3.98Å; L577-V646 HydrophobicContact CD2-CG1 4.13Å; L577-V646 HydrophobicContact CD2-CG2 4.02Å; I580-V646 HydrophobicContact CD1-CG1 3.83Å; I580-V646 HydrophobicContact CG1-CG1 4.19Å; Q581-V646 VanDerWaalsContact CD-CG1 3.45Å; Q581-V646 HydrophobicContact CG-CG1 3.55Å; R642-V646 WeakPolarHBondContact O-CG2 3.45Å; R642-V646 PolarHBondContact O-N 3.43Å; A643-V646 PolarHBondContact O-N 2.84Å; A643-V646 VanDerWaalsContact O-N 3.11Å; A644-V646 PolarHBondContact O-N 3.16Å; A644-V646 VanDerWaalsContact O-N 3.15Å; V646-A648 PolarHBondContact O-N 2.84Å; V646-Q649 WeakPolarHBondContact O-CG 3.29Å; V646-Q649 PolarHBondContact O-N 3.17Å; V646-Q649 VanDerWaalsContact O-N 3.16Å
647	L	92.9	Very high	92.5	Very high	22 Å²	22	44.6 Å²	44.6	12%	0.115	24%	0.236	C	C	.	.	H	α-helix	trans	-68	-15.5	178.5	-61.3	169.4	0	0	0	112.8	W576 I580 Y615 F619 A643 A644 Q649 I656	W576-L647 HydrophobicContact CH2-CD1 4.35Å; I580-L647 HydrophobicContact CD1-CD2 4.2Å; Y615-L647 HydrophobicContact CD1-CD2 4.42Å; F619-L647 HydrophobicContact CB-CD1 4.23Å; F619-L647 HydrophobicContact CD1-CD1 3.81Å; F619-L647 HydrophobicContact CD2-CD1 3.33Å; F619-L647 HydrophobicContact CE1-CD1 3.92Å; F619-L647 HydrophobicContact CE2-CD1 3.46Å; F619-L647 VanDerWaalsContact CE2-CD1 3.46Å; F619-L647 HydrophobicContact CG-CD1 3.52Å; F619-L647 HydrophobicContact CZ-CD1 3.75Å; A643-L647 PolarHBondContact O-N 3.38Å; A644-L647 PolarHBondContact O-N 3.3Å; L647-Q649 VanDerWaalsContact C-N 3.28Å; L647-Q649 PolarHBondContact O-N 3.34Å; L647-I656 HydrophobicContact CD2-CD1 4.5Å
648	A	89.6	Confident	92.6	Very high	25 Å²	25	47.7 Å²	47.7	21%	0.207	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13	169.9	0	0	0	0	0	116.2	F405 A644 V646	F405-A648 HydrophobicContact CE1-CB 3.34Å; F405-A648 HydrophobicContact CE2-CB 4.37Å; F405-A648 HydrophobicContact CZ-CB 3.23Å; A644-A648 WeakPolarHBondContact O-CA 3.25Å; A644-A648 WeakPolarHBondContact O-CB 3.34Å; A644-A648 PolarHBondContact O-N 3.33Å; V646-A648 PolarHBondContact O-N 2.84Å
649	Q	89.7	Confident	92.4	Very high	36 Å²	36	44.5 Å²	44.5	17%	0.168	23%	0.225	C	C	.	.	S	Bend	trans	-68.9	129.3	-170.3	-72.5	169.6	35.5	0	0	110.4	V600 V646 L647 L652	V600-Q649 HydrophobicContact CG2-CB 3.78Å; V646-Q649 WeakPolarHBondContact O-CG 3.29Å; V646-Q649 PolarHBondContact O-N 3.17Å; V646-Q649 VanDerWaalsContact O-N 3.16Å; L647-Q649 VanDerWaalsContact C-N 3.28Å; L647-Q649 PolarHBondContact O-N 3.34Å; Q649-L652 HydrophobicContact CB-CB 4.35Å; Q649-L652 HydrophobicContact CB-CD2 4.49Å; Q649-L652 VanDerWaalsContact O-CB 3.22Å; Q649-L652 WeakPolarHBondContact O-CB 3.1Å; Q649-L652 PolarHBondContact O-N 3.44Å; Q649-L652 VanDerWaalsContact O-N 3.1Å
650	P	91.4	Very high	92.1	Very high	69 Å²	69	48.3 Å²	48.3	45%	0.448	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	147	179	-26.5	34	0	0	0	112.3	T599 V600 L652	T599-P650 HydrophobicContact CG2-CB 4.14Å; V600-P650 PolarHBondContact N-O 3.03Å; P650-L652 PolarHBondContact O-N 3.27Å; P650-L652 VanDerWaalsContact O-N 3.12Å
651	N	92.9	Very high	91.7	Very high	24 Å²	24	48.8 Å²	48.8	13%	0.128	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-22.1	-171.4	-158.2	17.5	0	0	0	115.3	T599 V600 D602 A653 D654 M655 R658	T599-N651 HydrophobicContact CG2-CB 3.81Å; V600-N651 PolarHBondContact O-ND2 2.93Å; D602-N651 PolarHBondContact OD1-ND2 3.34Å; N651-A653 PolarHBondContact O-N 2.88Å; N651-D654 VanDerWaalsContact CA-OD2 3.28Å; N651-D654 WeakPolarHBondContact CA-OD2 3.1Å; N651-D654 PolarHBondContact O-N 3.39Å; N651-M655 HydrophobicContact CB-CE 4.36Å; N651-M655 VanDerWaalsContact ND2-CE 3.26Å; N651-M655 WeakPolarHBondContact ND2-CE 3.42Å; N651-M655 WeakPolarHBondContact O-CG 3.33Å; N651-M655 PolarHBondContact O-N 3.39Å; N651-R658 PolarHBondContact OD1-NH2 3.22Å
652	L	93.4	Very high	91.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-42.9	-177.9	-174.7	55	0	0	0	112.8	W583 V600 V608 Y615 Q649 P650 D654 M655 I656	W583-L652 HydrophobicContact CH2-CD1 3.79Å; W583-L652 HydrophobicContact CH2-CD2 4.12Å; W583-L652 HydrophobicContact CZ2-CD2 4.17Å; V600-L652 HydrophobicContact CG2-CB 3.87Å; V608-L652 HydrophobicContact CG1-CD1 4.49Å; V608-L652 HydrophobicContact CG2-CD1 3.93Å; Y615-L652 HydrophobicContact CD1-CD1 4.39Å; Y615-L652 HydrophobicContact CE1-CD1 3.89Å; Y615-L652 HydrophobicContact CE1-CD2 4.46Å; Q649-L652 HydrophobicContact CB-CB 4.35Å; Q649-L652 HydrophobicContact CB-CD2 4.49Å; Q649-L652 VanDerWaalsContact O-CB 3.22Å; Q649-L652 WeakPolarHBondContact O-CB 3.1Å; Q649-L652 PolarHBondContact O-N 3.44Å; Q649-L652 VanDerWaalsContact O-N 3.1Å; P650-L652 PolarHBondContact O-N 3.27Å; P650-L652 VanDerWaalsContact O-N 3.12Å; L652-D654 VanDerWaalsContact C-N 3.29Å; L652-D654 PolarHBondContact O-N 3.04Å; L652-M655 PolarHBondContact O-N 2.94Å; L652-I656 HydrophobicContact CD1-CD1 4.24Å; L652-I656 HydrophobicContact CD1-CG1 4.5Å; L652-I656 HydrophobicContact CG-CD1 4.04Å; L652-I656 WeakPolarHBondContact O-CD1 3.46Å; L652-I656 VanDerWaalsContact O-CG1 3.25Å; L652-I656 WeakPolarHBondContact O-CG1 3.26Å; L652-I656 PolarHBondContact O-N 3Å; L652-I656 VanDerWaalsContact O-N 3.08Å
653	A	92.1	Very high	90.1	Very high	34 Å²	34	49 Å²	49	28%	0.281	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-40.4	176.1	0	0	0	0	0	111.3	I409 N651 I656 Q657	I409-A653 HydrophobicContact CG2-CB 4.26Å; N651-A653 PolarHBondContact O-N 2.88Å; A653-I656 PolarHBondContact O-N 3.27Å; A653-Q657 WeakPolarHBondContact O-CB 3.44Å; A653-Q657 PolarHBondContact O-N 2.99Å
654	D	93.5	Very high	88.5	Confident	76 Å²	76	52.1 Å²	52.1	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-66.7	-44	179.5	-47.7	-82.3	0	0	0	111.5	N651 L652 I656 Q657 R658	N651-D654 VanDerWaalsContact CA-OD2 3.28Å; N651-D654 WeakPolarHBondContact CA-OD2 3.1Å; N651-D654 PolarHBondContact O-N 3.39Å; L652-D654 VanDerWaalsContact C-N 3.29Å; L652-D654 PolarHBondContact O-N 3.04Å; D654-I656 PolarHBondContact O-N 3.45Å; D654-Q657 PolarHBondContact O-N 3.38Å; D654-R658 VanDerWaalsContact CB-NH1 3.33Å; D654-R658 WeakPolarHBondContact O-CB 3.25Å; D654-R658 VanDerWaalsContact O-CG 3.3Å; D654-R658 WeakPolarHBondContact O-CG 3.15Å; D654-R658 PolarHBondContact O-N 3.12Å
655	M	94	Very high	86.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-45.3	172.5	-70	178.9	-168.5	0	0	112.1	V600 E605 V608 H609 N651 L652 R658 G659	V600-M655 HydrophobicContact CB-CE 4.18Å; V600-M655 HydrophobicContact CG1-CE 3.85Å; V600-M655 HydrophobicContact CG1-SD 4.08Å; V600-M655 WeakPolarHBondContact O-CE 3.34Å; E605-M655 HydrophobicContact CB-CE 4.41Å; E605-M655 HydrophobicContact CB-CG 3.97Å; E605-M655 HydrophobicContact CB-SD 3.99Å; E605-M655 HydrophobicContact CG-CB 4.27Å; E605-M655 HydrophobicContact CG-CG 4.02Å; V608-M655 HydrophobicContact CB-CB 4.29Å; V608-M655 HydrophobicContact CG1-CB 3.98Å; V608-M655 HydrophobicContact CG2-CB 4.47Å; V608-M655 HydrophobicContact CG2-SD 3.96Å; H609-M655 PolarHBondContact CD2-O 3.08Å; H609-M655 PolarHBondContact NE2-O 2.85Å; N651-M655 HydrophobicContact CB-CE 4.36Å; N651-M655 VanDerWaalsContact ND2-CE 3.26Å; N651-M655 WeakPolarHBondContact ND2-CE 3.42Å; N651-M655 WeakPolarHBondContact O-CG 3.33Å; N651-M655 PolarHBondContact O-N 3.39Å; L652-M655 PolarHBondContact O-N 2.94Å; M655-R658 PolarHBondContact O-N 2.84Å; M655-G659 PolarHBondContact O-N 3.28Å
656	I	93.4	Very high	84.9	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.118	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-47.4	178.1	-68.4	163.2	0	0	0	110	V608 L612 Y615 T616 L647 L652 A653 D654 R658 G659 E660	V608-I656 HydrophobicContact CG1-CG1 3.67Å; L612-I656 HydrophobicContact CD1-CG2 3.99Å; Y615-I656 HydrophobicContact CD1-CD1 3.82Å; Y615-I656 HydrophobicContact CD1-CG1 4.28Å; Y615-I656 HydrophobicContact CG-CD1 4.09Å; Y615-I656 HydrophobicContact CG-CG1 4.19Å; T616-I656 HydrophobicContact CG2-CG2 4.05Å; L647-I656 HydrophobicContact CD2-CD1 4.5Å; L652-I656 HydrophobicContact CD1-CD1 4.24Å; L652-I656 HydrophobicContact CD1-CG1 4.5Å; L652-I656 HydrophobicContact CG-CD1 4.04Å; L652-I656 WeakPolarHBondContact O-CD1 3.46Å; L652-I656 VanDerWaalsContact O-CG1 3.25Å; L652-I656 WeakPolarHBondContact O-CG1 3.26Å; L652-I656 PolarHBondContact O-N 3Å; L652-I656 VanDerWaalsContact O-N 3.08Å; A653-I656 PolarHBondContact O-N 3.27Å; D654-I656 PolarHBondContact O-N 3.45Å; I656-R658 PolarHBondContact O-N 2.93Å; I656-G659 PolarHBondContact O-N 2.69Å; I656-G659 VanDerWaalsContact O-N 3.14Å; I656-E660 HydrophobicContact CG2-CG 4.48Å; I656-E660 PolarHBondContact O-N 3.23Å
657	Q	92.1	Very high	82.6	Confident	135 Å²	135	54.9 Å²	54.9	63%	0.631	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-38.5	179.4	-172	178	0.4	0	0	112.3	A653 D654 G659 E660 A661	A653-Q657 WeakPolarHBondContact O-CB 3.44Å; A653-Q657 PolarHBondContact O-N 2.99Å; D654-Q657 PolarHBondContact O-N 3.38Å; Q657-G659 VanDerWaalsContact C-N 3.33Å; Q657-E660 PolarHBondContact O-N 3.01Å; Q657-A661 WeakPolarHBondContact O-CB 3.4Å; Q657-A661 PolarHBondContact O-N 2.91Å
658	R	92.3	Very high	80.1	Confident	90 Å²	90	59.3 Å²	59.3	34%	0.34	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-41.4	172.7	-71.5	-171.1	-59.3	-101.9	17	111.3	E605 N651 D654 M655 I656 Q662	E605-R658 VanDerWaalsContact CD-NE 3.33Å; E605-R658 WeakPolarHBondContact OE1-CB 3.26Å; E605-R658 IonicContact OE1-CZ 2.68Å; E605-R658 IonicContact OE1-NE 2.94Å; E605-R658 PolarHBondContact OE1-NE 3.21Å; E605-R658 IonicContact OE1-NH2 3.99Å; E605-R658 IonicContact OE2-CZ 2.75Å; E605-R658 IonicContact OE2-NE 2.8Å; E605-R658 PolarHBondContact OE2-NE 2.84Å; E605-R658 IonicContact OE2-NH2 3.31Å; E605-R658 PolarHBondContact OE2-NH2 3.37Å; N651-R658 PolarHBondContact OD1-NH2 3.22Å; D654-R658 VanDerWaalsContact CB-NH1 3.33Å; D654-R658 WeakPolarHBondContact O-CB 3.25Å; D654-R658 VanDerWaalsContact O-CG 3.3Å; D654-R658 WeakPolarHBondContact O-CG 3.15Å; D654-R658 PolarHBondContact O-N 3.12Å; M655-R658 PolarHBondContact O-N 2.84Å; I656-R658 PolarHBondContact O-N 2.93Å; R658-Q662 WeakPolarHBondContact O-CG 3.45Å; R658-Q662 PolarHBondContact O-N 2.87Å; R658-Q662 VanDerWaalsContact O-N 3.16Å
659	G	89.1	Confident	78.1	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-65.3	-46.5	175.2	0	0	0	0	0	113.7	H609 M655 I656 Q657 A661 Q662 C663	H609-G659 VanDerWaalsContact CD2-CA 3.48Å; H609-G659 WeakPolarHBondContact CD2-CA 3.36Å; H609-G659 PolarHBondContact NE2-N 3.46Å; M655-G659 PolarHBondContact O-N 3.28Å; I656-G659 PolarHBondContact O-N 2.69Å; I656-G659 VanDerWaalsContact O-N 3.14Å; Q657-G659 VanDerWaalsContact C-N 3.33Å; G659-A661 VanDerWaalsContact C-N 3.31Å; G659-A661 PolarHBondContact O-N 3.39Å; G659-Q662 PolarHBondContact O-N 3.32Å; G659-C663 PolarHBondContact O-N 2.86Å; G659-C663 PolarHBondContact O-SG 3.3Å
660	E	86.6	Confident	75.6	Confident	87 Å²	87	63.1 Å²	63.1	41%	0.407	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-40	176.7	-70.7	-169.9	137.5	0	0	112.3	L612 T616 I656 Q657 C663 S664	L612-E660 HydrophobicContact CD1-CG 4.13Å; L612-E660 HydrophobicContact CD2-CG 4.07Å; L612-E660 HydrophobicContact CG-CG 4.46Å; T616-E660 HydrophobicContact CG2-CG 4.24Å; T616-E660 VanDerWaalsContact CG2-OE1 3.26Å; T616-E660 WeakPolarHBondContact CG2-OE1 3.37Å; I656-E660 HydrophobicContact CG2-CG 4.48Å; I656-E660 PolarHBondContact O-N 3.23Å; Q657-E660 PolarHBondContact O-N 3.01Å; E660-C663 PolarHBondContact O-N 2.86Å; E660-S664 WeakPolarHBondContact O-CB 3.27Å; E660-S664 PolarHBondContact O-N 3.23Å; E660-S664 PolarHBondContact O-OG 2.82Å
661	A	85	Confident	73	Confident	59 Å²	59	62.1 Å²	62.1	49%	0.488	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-41.6	176.4	0	0	0	0	0	112.3	Q657 G659 S664 A665	Q657-A661 WeakPolarHBondContact O-CB 3.4Å; Q657-A661 PolarHBondContact O-N 2.91Å; G659-A661 VanDerWaalsContact C-N 3.31Å; G659-A661 PolarHBondContact O-N 3.39Å; A661-S664 PolarHBondContact O-N 2.74Å; A661-A665 WeakPolarHBondContact O-CB 3.38Å; A661-A665 PolarHBondContact O-N 3.43Å
662	Q	79.8	Confident	70.1	Confident	105 Å²	105	67 Å²	67	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-63.2	-46.9	175.7	-70.8	175.7	33.1	0	0	111.9	H609 R658 G659 S664 A665 V666	H609-Q662 PolarHBondContact CE1-NE2 2.95Å; R658-Q662 WeakPolarHBondContact O-CG 3.45Å; R658-Q662 PolarHBondContact O-N 2.87Å; R658-Q662 VanDerWaalsContact O-N 3.16Å; G659-Q662 PolarHBondContact O-N 3.32Å; Q662-S664 VanDerWaalsContact C-N 3.29Å; Q662-S664 PolarHBondContact O-N 3Å; Q662-A665 PolarHBondContact O-N 2.91Å; Q662-V666 WeakPolarHBondContact O-CG2 3.49Å; Q662-V666 PolarHBondContact O-N 3.21Å
663	C	72.9	Confident	67.2	Low	74 Å²	74	71 Å²	71	50%	0.5	41%	0.413	S	S	.	.	H	α-helix	trans	-61.6	-36.8	176.9	-65.9	0	0	0	0	112.6	G659 E660 S667	G659-C663 PolarHBondContact O-N 2.86Å; G659-C663 PolarHBondContact O-SG 3.3Å; E660-C663 PolarHBondContact O-N 2.86Å; C663-S667 PolarHBondContact O-N 2.94Å; C663-S667 PolarHBondContact O-OG 3.01Å
664	S	60.3	Low	64.2	Low	67 Å²	67	73 Å²	73	47%	0.469	43%	0.425	S	S	.	.	H	α-helix	trans	-69.1	-38.6	175.7	-58.4	0	0	0	0	112.1	E660 A661 Q662 S667 L668	E660-S664 WeakPolarHBondContact O-CB 3.27Å; E660-S664 PolarHBondContact O-N 3.23Å; E660-S664 PolarHBondContact O-OG 2.82Å; A661-S664 PolarHBondContact O-N 2.74Å; Q662-S664 VanDerWaalsContact C-N 3.29Å; Q662-S664 PolarHBondContact O-N 3Å; S664-S667 WeakPolarHBondContact CA-OG 3.44Å; S664-S667 PolarHBondContact O-OG 3.03Å; S664-S667 VanDerWaalsContact O-OG 3.11Å; S664-L668 WeakPolarHBondContact O-CG 3.45Å; S664-L668 PolarHBondContact O-N 3.35Å
665	A	53.1	Low	61.5	Low	45 Å²	45	74.9 Å²	74.9	37%	0.372	43%	0.434	S	S	.	.	H	α-helix	trans	-65.1	-44.2	175.1	0	0	0	0	0	112.2	A661 Q662 S667 L668 I669	A661-A665 WeakPolarHBondContact O-CB 3.38Å; A661-A665 PolarHBondContact O-N 3.43Å; Q662-A665 PolarHBondContact O-N 2.91Å; A665-S667 VanDerWaalsContact C-N 3.33Å; A665-S667 PolarHBondContact O-N 3.05Å; A665-L668 PolarHBondContact O-N 3.27Å; A665-I669 VanDerWaalsContact O-CG1 3.29Å; A665-I669 WeakPolarHBondContact O-CG1 3.43Å; A665-I669 PolarHBondContact O-N 2.78Å
666	V	55.3	Low	58.5	Low	103 Å²	103	80 Å²	80	62%	0.624	47%	0.465	S	S	*	.	H	α-helix	trans	-62.4	-39.9	178	171.7	0	0	0	0	111.7	Q662 I669 G670	Q662-V666 WeakPolarHBondContact O-CG2 3.49Å; Q662-V666 PolarHBondContact O-N 3.21Å; V666-I669 PolarHBondContact O-N 2.83Å; V666-G670 PolarHBondContact O-N 3.2Å
667	S	46.1	Very low	55.6	Low	78 Å²	78	89.8 Å²	89.8	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-71.4	-32.1	177.3	44	0	0	0	0	113.2	C663 S664 A665 A671	C663-S667 PolarHBondContact O-N 2.94Å; C663-S667 PolarHBondContact O-OG 3.01Å; S664-S667 WeakPolarHBondContact CA-OG 3.44Å; S664-S667 PolarHBondContact O-OG 3.03Å; S664-S667 VanDerWaalsContact O-OG 3.11Å; A665-S667 VanDerWaalsContact C-N 3.33Å; A665-S667 PolarHBondContact O-N 3.05Å; S667-A671 PolarHBondContact O-N 3.3Å; S667-A671 VanDerWaalsContact O-N 3.14Å
668	L	40.3	Very low	52.7	Low	114 Å²	114	93.5 Å²	93.5	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-66.1	-41.4	168.7	-77.9	164	0	0	0	112.6	S664 A665 A671 H672	S664-L668 WeakPolarHBondContact O-CG 3.45Å; S664-L668 PolarHBondContact O-N 3.35Å; A665-L668 PolarHBondContact O-N 3.27Å; L668-A671 PolarHBondContact O-N 3.35Å; L668-H672 PolarHBondContact O-N 3.4Å
669	I	46.4	Very low	50.8	Low	109 Å²	109	93.7 Å²	93.7	56%	0.559	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-42.4	177.2	-67.9	163	0	0	0	110.9	A665 V666 A671 H672 T673	A665-I669 VanDerWaalsContact O-CG1 3.29Å; A665-I669 WeakPolarHBondContact O-CG1 3.43Å; A665-I669 PolarHBondContact O-N 2.78Å; V666-I669 PolarHBondContact O-N 2.83Å; I669-A671 VanDerWaalsContact C-N 3.34Å; I669-A671 PolarHBondContact O-N 3.29Å; I669-H672 PolarHBondContact O-N 3.48Å; I669-T673 PolarHBondContact O-N 3.4Å; I669-T673 PolarHBondContact O-OG1 2.96Å
670	G	36.9	Very low	48.7	Very low	33 Å²	33	98.6 Å²	98.6	34%	0.34	56%	0.559	S	S	.	*	H	α-helix	trans	-61.6	-39.1	175.5	0	0	0	0	0	113.3	V666 T673 S674	V666-G670 PolarHBondContact O-N 3.2Å; G670-T673 PolarHBondContact O-OG1 3.28Å; G670-S674 PolarHBondContact O-N 3.46Å; G670-S674 PolarHBondContact O-OG 3.42Å
671	A	36.9	Very low	46.6	Very low	48 Å²	48	99.2 Å²	99.2	40%	0.397	57%	0.568	S	S	.	*	H	α-helix	trans	-63.1	-45.3	172.1	0	0	0	0	0	111.4	S667 L668 I669 T673 S674 I675	S667-A671 PolarHBondContact O-N 3.3Å; S667-A671 VanDerWaalsContact O-N 3.14Å; L668-A671 PolarHBondContact O-N 3.35Å; I669-A671 VanDerWaalsContact C-N 3.34Å; I669-A671 PolarHBondContact O-N 3.29Å; A671-T673 PolarHBondContact O-N 3.01Å; A671-S674 WeakPolarHBondContact O-CB 3.44Å; A671-S674 PolarHBondContact O-N 3.39Å; A671-I675 WeakPolarHBondContact O-CG1 3.36Å; A671-I675 PolarHBondContact O-N 3.23Å
672	H	33.5	Very low	44.4	Very low	127 Å²	127	101.6 Å²	101.6	59%	0.588	57%	0.573	S	S	*	*	H	α-helix	trans	-60.2	-44.4	176.8	-99	-84.8	0	0	0	113.1	L668 I669 S674 I675 T676	L668-H672 PolarHBondContact O-N 3.4Å; I669-H672 PolarHBondContact O-N 3.48Å; H672-S674 PolarHBondContact O-N 3.44Å; H672-I675 PolarHBondContact O-N 2.93Å; H672-I675 VanDerWaalsContact O-N 3.07Å; H672-T676 PolarHBondContact O-N 2.8Å; H672-T676 PolarHBondContact O-OG1 2.88Å
673	T	32.1	Very low	42.2	Very low	82 Å²	82	101.4 Å²	101.4	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-66	-26	178.6	50.3	0	0	0	0	113.5	I669 G670 A671 T676	I669-T673 PolarHBondContact O-N 3.4Å; I669-T673 PolarHBondContact O-OG1 2.96Å; G670-T673 PolarHBondContact O-OG1 3.28Å; A671-T673 PolarHBondContact O-N 3.01Å; T673-T676 PolarHBondContact O-OG1 2.94Å
674	S	29.4	Very low	40.1	Very low	77 Å²	77	103.2 Å²	103.2	54%	0.538	58%	0.583	S	S	.	*	H	α-helix	trans	-74.9	-35.3	171.8	-55.5	0	0	0	0	111.8	G670 A671 H672 R677	G670-S674 PolarHBondContact O-N 3.46Å; G670-S674 PolarHBondContact O-OG 3.42Å; A671-S674 WeakPolarHBondContact O-CB 3.44Å; A671-S674 PolarHBondContact O-N 3.39Å; H672-S674 PolarHBondContact O-N 3.44Å; S674-R677 PolarHBondContact O-N 3.27Å
675	I	36	Very low	38.7	Very low	115 Å²	115	105.8 Å²	105.8	59%	0.59	59%	0.591	S	S	*	*	H	α-helix	trans	-73.5	-28.5	179.6	-70	166.8	0	0	0	112.1	A671 H672 R677	A671-I675 WeakPolarHBondContact O-CG1 3.36Å; A671-I675 PolarHBondContact O-N 3.23Å; H672-I675 PolarHBondContact O-N 2.93Å; H672-I675 VanDerWaalsContact O-N 3.07Å; I675-R677 VanDerWaalsContact C-N 3.26Å; I675-R677 PolarHBondContact O-N 3.36Å
676	T	30.9	Very low	37.6	Very low	109 Å²	109	110.5 Å²	110.5	67%	0.669	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	18.6	171.6	48.9	0	0	0	0	114.5	H672 T673	H672-T676 PolarHBondContact O-N 2.8Å; H672-T676 PolarHBondContact O-OG1 2.88Å; T673-T676 PolarHBondContact O-OG1 2.94Å
677	R	32.5	Very low	36.1	Very low	228 Å²	228	111.1 Å²	111.1	86%	0.86	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	39.7	173.5	-75.7	-166.7	175.4	-175.3	0.8	112.6	S674 I675	S674-R677 PolarHBondContact O-N 3.27Å; I675-R677 VanDerWaalsContact C-N 3.26Å; I675-R677 PolarHBondContact O-N 3.36Å
678	I	31.9	Very low	35.2	Very low	213 Å²	213	114.1 Å²	114.1	100%	1.092	61%	0.612	S	S	*	*			trans	-121.2	0	166.4	-58.3	179.3	0	0	0	107.3

Retrieved 678 of 678 residues in 820.2 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).