A0A077Z557_TRITR Loading...

Transcription factor 25

AlphaFold DB , UniProt , Accession A0A077Z557, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 606 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	38.2	Very low	39.4	Very low	248 Å²	248	154.2 Å²	154.2	100%	1.222	85%	0.854	S	S	*	*				0	120.6	0	-66.5	166.7	169.4	0	0	106.6
2	S	42.4	Very low	39.2	Very low	121 Å²	121	152.2 Å²	152.2	85%	0.846	84%	0.841	S	S	*	*			cis	-136	141.4	-6.5	47.5	0	0	0	0	109.4
3	S	33.2	Very low	39.1	Very low	112 Å²	112	152.7 Å²	152.7	78%	0.783	84%	0.841	S	S	*	*			trans	-89.6	156.9	172.3	51.6	0	0	0	0	111.4
4	L	44.8	Very low	39	Very low	180 Å²	180	147.9 Å²	147.9	94%	0.942	83%	0.832	S	S	*	*			trans	-162.9	155	137.4	-105.7	161	0	0	0	109.7
5	A	40.1	Very low	38.7	Very low	87 Å²	87	145.1 Å²	145.1	72%	0.719	83%	0.826	S	S	*	*			trans	-138.4	162.9	-169.5	0	0	0	0	0	111
6	P	43.7	Very low	38.7	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	83%	0.826	S	S	*	*			trans	-95.6	153.8	-166.7	36.5	-35.6	0	0	0	115.8
7	L	40.2	Very low	38.8	Very low	183 Å²	183	146.7 Å²	146.7	96%	0.958	82%	0.821	S	S	*	*			trans	-150.2	152.2	166.4	-68.2	170.7	0	0	0	106.7
8	G	38.3	Very low	38.8	Very low	66 Å²	66	145.4 Å²	145.4	68%	0.68	82%	0.817	S	S	*	*			cis	166.9	163.9	-5.4	0	0	0	0	0	110.9
9	E	39.3	Very low	38.7	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	81%	0.81	S	S	*	*			trans	65.8	166.9	166.4	-60	-161.1	114.1	0	0	119.7
10	K	36.6	Very low	38.7	Very low	178 Å²	178	144.6 Å²	144.6	77%	0.774	81%	0.809	S	S	*	*				-170.8	169.2	-55.7	-131.1	-173.7	-179.8	-172	0	110.8
11	R	36.5	Very low	38.7	Very low	212 Å²	212	141.2 Å²	141.2	80%	0.8	81%	0.807	S	S	*	*			trans	82.2	155.4	167.9	-50.9	-169.3	175.3	112.9	-0.4	118.7
12	D	37.2	Very low	38.4	Very low	130 Å²	130	136.8 Å²	136.8	70%	0.695	79%	0.788	S	S	*	*			cis	-170.2	178.9	-39.6	-89.4	-31.1	0	0	0	108.9
13	D	38.3	Very low	38.1	Very low	159 Å²	159	138.4 Å²	138.4	85%	0.85	79%	0.787	S	S	*	*			trans	89	106.4	156.8	-60.6	-30.4	0	0	0	124.5
14	A	37.2	Very low	38.2	Very low	86 Å²	86	140.3 Å²	140.3	71%	0.711	79%	0.788	S	S	*	*				80	83.7	119.6	0	0	0	0	0	125.2
15	S	34.8	Very low	37.7	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	78%	0.781	S	S	*	*				34.7	137.7	118.3	64.5	0	0	0	0	125.5
16	L	38.4	Very low	37.5	Very low	158 Å²	158	137.6 Å²	137.6	83%	0.827	78%	0.784	S	S	*	*			trans	-169.3	123.5	135.5	-92	147	0	0	0	107.8
17	H	40	Very low	37	Very low	160 Å²	160	140.4 Å²	140.4	74%	0.741	79%	0.792	S	S	*	*				52.8	139.3	91.4	-70.6	-65.3	0	0	0	115.3
18	T	38.5	Very low	36.7	Very low	123 Å²	123	135.5 Å²	135.5	76%	0.755	79%	0.785	S	S	*	*			cis	-173.6	165.8	5.5	22.5	0	0	0	0	108.8
19	D	37.7	Very low	36.6	Very low	127 Å²	127	139.8 Å²	139.8	68%	0.679	79%	0.792	S	S	*	*			cis	-179.6	160.6	-19.1	176.9	39.4	0	0	0	111.3
20	N	38.7	Very low	36.5	Very low	148 Å²	148	139 Å²	139	79%	0.791	79%	0.789	S	S	*	*			trans	63.4	151.3	158.6	-99.9	-54.8	0	0	0	124
21	G	37.9	Very low	36.6	Very low	74 Å²	74	134.8 Å²	134.8	76%	0.763	78%	0.779	S	S	*	*			trans	150.4	54.4	160	0	0	0	0	0	122.9
22	N	32.9	Very low	36.4	Very low	154 Å²	154	131.8 Å²	131.8	82%	0.824	78%	0.779	S	S	*	*			trans	-84.5	145.6	171.2	-84.2	-24.9	0	0	0	113.9
23	N	37	Very low	36.1	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	78%	0.784	S	S	*	*				167.1	138.7	117.3	-91.3	-36	0	0	0	119.3
24	L	35.1	Very low	35.6	Very low	153 Å²	153	133.1 Å²	133.1	80%	0.801	78%	0.781	S	S	*	*			trans	72.8	98.3	131.7	-158	72.4	0	0	0	124.2
25	V	34	Very low	35.2	Very low	134 Å²	134	133 Å²	133	81%	0.812	78%	0.78	S	S	*	*				36	129	125	-174.9	0	0	0	0	121.8
26	G	35.9	Very low	35	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	78%	0.783	S	S	*	*			trans	-163.3	145	157.2	0	0	0	0	0	112.4
27	L	32.1	Very low	34.4	Very low	183 Å²	183	137.7 Å²	137.7	96%	0.958	78%	0.783	S	S	*	*			trans	-111	153.3	-172.2	-75.3	151.7	0	0	0	113.1
28	G	35	Very low	34	Very low	80 Å²	80	139.6 Å²	139.6	83%	0.825	79%	0.79	S	S	*	*			trans	178	114.4	169.3	0	0	0	0	0	116
29	D	35.4	Very low	33.4	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	80%	0.797	S	S	*	*			trans	-67.3	169.4	167.6	-91.6	-40.9	0	0	0	112.9
30	Q	37.1	Very low	32.9	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.794	80%	0.804	S	S	*	*			cis	-152.7	-179.3	6	-112.9	-112.5	-50.8	0	0	109.3
31	P	39.1	Very low	32.4	Very low	89 Å²	89	140 Å²	140	58%	0.578	81%	0.805	S	S	*	*			trans	-101.2	174.1	-158.7	41.7	-39.1	0	0	0	116.2
32	D	31.6	Very low	31.9	Very low	149 Å²	149	143.8 Å²	143.8	80%	0.797	81%	0.808	S	S	*	*				-173.1	159.8	111.6	-102	-26.1	0	0	0	115.5
33	E	30.6	Very low	31.9	Very low	170 Å²	170	141.6 Å²	141.6	79%	0.794	81%	0.805	S	S	*	*			trans	19.1	115.9	166.5	-57.3	-168	152.5	0	0	121.5
34	N	28.4	Very low	31.7	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	80%	0.804	S	S	*	*				-176.7	129.8	107.5	-107.3	-84.9	0	0	0	116.6
35	A	29.8	Very low	31.7	Very low	84 Å²	84	141.1 Å²	141.1	69%	0.694	80%	0.803	S	S	*	*			trans	66	152.5	140.3	0	0	0	0	0	123.8
36	K	30.4	Very low	31.5	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.787	80%	0.799	S	S	*	*			trans	79.8	103.2	160.5	-68.3	176.9	177.4	177.5	0	120.6
37	E	26.2	Very low	31.3	Very low	179 Å²	179	145.8 Å²	145.8	84%	0.836	80%	0.798	S	S	*	*				38.1	102.7	120.3	-60.4	172.8	129.5	0	0	118.1
38	K	30.6	Very low	31.3	Very low	201 Å²	201	140.8 Å²	140.8	87%	0.874	78%	0.776	S	S	*	*			trans	-139.1	140.4	147.8	-77	-164.3	176.4	-179.4	0	111.5
39	N	25.9	Very low	31.2	Very low	170 Å²	170	141.6 Å²	141.6	91%	0.909	77%	0.768	S	S	*	*			trans	-76.3	140.7	170	-56.3	-30.7	0	0	0	109.6
40	S	28	Very low	31.4	Very low	117 Å²	117	136 Å²	136	82%	0.818	74%	0.741	S	S	*	*			trans	-152.6	105.9	161.2	57.9	0	0	0	0	109
41	S	27.4	Very low	31.8	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	72%	0.72	S	S	*	*			trans	-131.8	48.5	174.9	64.9	0	0	0	0	110.3
42	D	28.4	Very low	32.1	Very low	155 Å²	155	127.7 Å²	127.7	83%	0.829	69%	0.694	S	S	*	*			trans	-88	115.5	161.4	-79.4	-52.4	0	0	0	107.8
43	S	32.9	Very low	32.6	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	68%	0.676	S	S	*	*			trans	-104.8	93.4	173.5	59.1	0	0	0	0	108.6	L45	S43-L45 PolarHBondContact O-N 3.44Å
44	D	32.3	Very low	33.1	Very low	153 Å²	153	119.1 Å²	119.1	82%	0.818	66%	0.657	S	S	*	*			trans	-56.3	112.4	179.2	-75.6	-52.6	0	0	0	110.9	E46	D44-E46 VanDerWaalsContact C-N 3.35Å; D44-E46 PolarHBondContact O-N 3.25Å
45	L	35	Very low	34	Very low	146 Å²	146	113.4 Å²	113.4	76%	0.764	63%	0.627	S	S	*	*			trans	-76.8	87.8	171.9	-90.6	164.3	0	0	0	108.7	S43 I47	S43-L45 PolarHBondContact O-N 3.44Å; L45-I47 WeakPolarHBondContact O-CG1 3.42Å; L45-I47 PolarHBondContact O-N 3.4Å
46	E	30.1	Very low	34.6	Very low	159 Å²	159	110.2 Å²	110.2	74%	0.743	60%	0.599	S	S	*	*			trans	-51.2	116.3	169.2	-79	-164.2	128.1	0	0	109.8	D44 V48	D44-E46 VanDerWaalsContact C-N 3.35Å; D44-E46 PolarHBondContact O-N 3.25Å; E46-V48 HydrophobicContact CB-CG2 4.06Å; E46-V48 PolarHBondContact O-N 3.23Å
47	I	31.2	Very low	35.1	Very low	147 Å²	147	108 Å²	108	75%	0.754	59%	0.591	S	S	*	*			trans	-79.8	65.2	176.4	-49.5	-177.4	0	0	0	108.1	L45 A500	L45-I47 WeakPolarHBondContact O-CG1 3.42Å; L45-I47 PolarHBondContact O-N 3.4Å; I47-A500 HydrophobicContact CG2-CB 4.18Å
48	V	31.7	Very low	35.6	Very low	79 Å²	79	102.2 Å²	102.2	48%	0.479	57%	0.571	S	S	.	*			trans	-55.1	139.6	170.8	-176.9	0	0	0	0	108.7	E46 S50	E46-V48 HydrophobicContact CB-CG2 4.06Å; E46-V48 PolarHBondContact O-N 3.23Å; V48-S50 PolarHBondContact O-N 3.04Å
49	S	34.1	Very low	36	Very low	96 Å²	96	95.8 Å²	95.8	67%	0.671	54%	0.544	S	S	*	.	S	Bend	trans	-39.5	123.4	-171	43.4	0	0	0	0	113.9	K51	S49-K51 PolarHBondContact O-N 3.25Å
50	S	38.4	Very low	36.4	Very low	37 Å²	37	92.5 Å²	92.5	26%	0.259	53%	0.534	S	S	.	.			trans	27.4	77.2	163.7	176.9	0	0	0	0	113.5	V48 F52 S53 Q501	V48-S50 PolarHBondContact O-N 3.04Å; S50-F52 PolarHBondContact O-N 3.25Å; S50-S53 WeakPolarHBondContact O-CA 3.4Å; S50-S53 WeakPolarHBondContact O-CB 3.41Å; S50-S53 PolarHBondContact O-N 2.84Å; S50-S53 PolarHBondContact O-OG 3.04Å; S50-S53 PolarHBondContact OG-OG 3.13Å; S50-Q501 PolarHBondContact OG-O 3.34Å
51	K	45.3	Very low	36.8	Very low	79 Å²	79	90.6 Å²	90.6	34%	0.343	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-61	-14.3	-175.6	-63.4	-166.9	-179.6	-178.4	0	114.2	S49 S53 L54 Q501	S49-K51 PolarHBondContact O-N 3.25Å; K51-S53 PolarHBondContact O-N 3.49Å; K51-L54 HydrophobicContact CB-CD1 3.91Å; K51-L54 HydrophobicContact CB-CG 4.5Å; K51-L54 HydrophobicContact CD-CD1 4.34Å; K51-L54 HydrophobicContact CG-CD1 3.93Å; K51-L54 VanDerWaalsContact O-CB 3.27Å; K51-L54 WeakPolarHBondContact O-CB 3.46Å; K51-L54 PolarHBondContact O-N 3.33Å; K51-Q501 HydrophobicContact CB-CG 4.14Å
52	F	45.5	Very low	37	Very low	7 Å²	7	92 Å²	92	3%	0.031	52%	0.524	C	S	.	.	G	3₁₀ helix	trans	-66	-25.2	168.1	-170.6	-138.7	0	0	0	113	S50 L54 L55 L370 L448 Q501 Y502 R504 P506	S50-F52 PolarHBondContact O-N 3.25Å; F52-L54 VanDerWaalsContact C-N 3.26Å; F52-L54 PolarHBondContact O-N 3.31Å; F52-L55 HydrophobicContact CD2-CD1 3.46Å; F52-L55 VanDerWaalsContact CD2-CD1 3.46Å; F52-L55 HydrophobicContact CD2-CG 4.39Å; F52-L55 HydrophobicContact CE2-CD1 3.39Å; F52-L55 HydrophobicContact CZ-CD1 4.47Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 WeakPolarHBondContact O-CG 3.22Å; F52-L55 PolarHBondContact O-N 3.45Å; F52-L370 HydrophobicContact CE2-CD2 4.35Å; F52-L448 HydrophobicContact CE2-CD1 3.66Å; F52-L448 HydrophobicContact CE2-CD2 4.46Å; F52-L448 HydrophobicContact CE2-CG 4.42Å; F52-L448 HydrophobicContact CZ-CD1 3.66Å; F52-L448 HydrophobicContact CZ-CD2 4.13Å; F52-L448 HydrophobicContact CZ-CG 4.01Å; F52-Q501 HydrophobicContact CB-CB 4.2Å; F52-Q501 WeakPolarHBondContact CB-O 3.5Å; F52-Y502 HydrophobicContact CB-CD1 4.3Å; F52-Y502 HydrophobicContact CD1-CD1 4.05Å; F52-Y502 AromaticContact CD2-CD1 3.71Å; F52-Y502 HydrophobicContact CD2-CD1 3.71Å; F52-Y502 AromaticContact CD2-CE1 3.96Å; F52-Y502 HydrophobicContact CD2-CE1 3.96Å; F52-Y502 HydrophobicContact CE1-CD1 4.25Å; F52-Y502 AromaticContact CE2-CD1 3.98Å; F52-Y502 HydrophobicContact CE2-CD1 3.98Å; F52-Y502 HydrophobicContact CE2-CE1 4.36Å; F52-Y502 AromaticContact CG-CD1 3.78Å; F52-Y502 HydrophobicContact CG-CD1 3.78Å; F52-Y502 HydrophobicContact CG-CE1 4.33Å; F52-Y502 HydrophobicContact CG-CG 4.49Å; F52-Y502 HydrophobicContact CZ-CD1 4.24Å; F52-R504 WeakPolarHBondContact CD1-O 3.04Å; F52-R504 WeakPolarHBondContact CE1-O 3.08Å; F52-P506 HydrophobicContact CD1-CG 4.2Å; F52-P506 HydrophobicContact CE1-CG 4.12Å; F52-P506 HydrophobicContact CZ-CG 4.44Å
53	S	41.8	Very low	37.2	Very low	60 Å²	60	88.9 Å²	88.9	42%	0.42	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-70.9	-16.9	168.9	-52.4	0	0	0	0	112.9	S50 K51 L55 C56	S50-S53 WeakPolarHBondContact O-CA 3.4Å; S50-S53 WeakPolarHBondContact O-CB 3.41Å; S50-S53 PolarHBondContact O-N 2.84Å; S50-S53 PolarHBondContact O-OG 3.04Å; S50-S53 PolarHBondContact OG-OG 3.13Å; K51-S53 PolarHBondContact O-N 3.49Å; S53-L55 PolarHBondContact O-N 3.36Å; S53-C56 CarbonylContact O-C 3.55Å; S53-C56 PolarHBondContact O-N 2.91Å
54	L	42	Very low	37	Very low	78 Å²	78	90 Å²	90	41%	0.408	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-70.1	-6.2	173.2	-60.3	171.9	0	0	0	112.9	K51 F52 C56	K51-L54 HydrophobicContact CB-CD1 3.91Å; K51-L54 HydrophobicContact CB-CG 4.5Å; K51-L54 HydrophobicContact CD-CD1 4.34Å; K51-L54 HydrophobicContact CG-CD1 3.93Å; K51-L54 VanDerWaalsContact O-CB 3.27Å; K51-L54 WeakPolarHBondContact O-CB 3.46Å; K51-L54 PolarHBondContact O-N 3.33Å; F52-L54 VanDerWaalsContact C-N 3.26Å; F52-L54 PolarHBondContact O-N 3.31Å; L54-C56 PolarHBondContact O-N 3.39Å
55	L	47	Very low	36.9	Very low	28 Å²	28	90.1 Å²	90.1	15%	0.147	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-68.5	-13.5	164.3	-61.7	175.9	0	0	0	112.6	F52 S53 L370	F52-L55 HydrophobicContact CD2-CD1 3.46Å; F52-L55 VanDerWaalsContact CD2-CD1 3.46Å; F52-L55 HydrophobicContact CD2-CG 4.39Å; F52-L55 HydrophobicContact CE2-CD1 3.39Å; F52-L55 HydrophobicContact CZ-CD1 4.47Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 WeakPolarHBondContact O-CG 3.22Å; F52-L55 PolarHBondContact O-N 3.45Å; S53-L55 PolarHBondContact O-N 3.36Å; L55-L370 HydrophobicContact CD1-CD2 4.06Å
56	C	43.1	Very low	36.8	Very low	18 Å²	18	90.9 Å²	90.9	12%	0.122	52%	0.52	C	S	.	.			trans	-147.2	98.8	-179.1	-46.9	0	0	0	0	110.1	S53 L54 S58 P508	S53-C56 CarbonylContact O-C 3.55Å; S53-C56 PolarHBondContact O-N 2.91Å; L54-C56 PolarHBondContact O-N 3.39Å; C56-S58 PolarHBondContact O-N 3.48Å; C56-P508 VanDerWaalsContact SG-CG 3.59Å
57	H	40.2	Very low	36.6	Very low	133 Å²	133	87.5 Å²	87.5	62%	0.616	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	9.2	-176.3	-92.9	-69.1	0	0	0	114.5	D332	H57-D332 PolarHBondContact N-OD1 3.41Å
58	S	36.7	Very low	36.5	Very low	58 Å²	58	87.3 Å²	87.3	41%	0.406	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.4	22.9	-157.7	54.1	0	0	0	0	117	C56 D332	C56-S58 PolarHBondContact O-N 3.48Å; S58-D332 WeakPolarHBondContact CB-OD2 3.26Å; S58-D332 VanDerWaalsContact OG-CG 3.25Å; S58-D332 PolarHBondContact OG-OD2 3.23Å
59	E	38.8	Very low	36.2	Very low	67 Å²	67	88.4 Å²	88.4	31%	0.313	54%	0.539	S	S	.	.	S	Bend	trans	-131.7	127.6	165.3	-80.1	170.1	-170.6	0	0	109.3	R507 R511	E59-R507 WeakPolarHBondContact OE2-CD 3.21Å; E59-R507 VanDerWaalsContact OE2-CG 3.25Å; E59-R507 WeakPolarHBondContact OE2-CG 3.34Å; E59-R511 IonicContact OE1-NH2 2.96Å; E59-R511 PolarHBondContact OE1-NH2 2.76Å; E59-R511 VanDerWaalsContact OE1-NH2 3.16Å
60	S	35.5	Very low	36.1	Very low	101 Å²	101	90.5 Å²	90.5	71%	0.706	55%	0.548	S	S	*	.			trans	-81	142	-172	52.2	0	0	0	0	113.3	D62	S60-D62 VanDerWaalsContact C-N 3.3Å; S60-D62 PolarHBondContact O-N 3.3Å
61	A	34.7	Very low	35.5	Very low	76 Å²	76	96.1 Å²	96.1	63%	0.628	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-6.8	-167.7	0	0	0	0	0	115.5
62	D	32.7	Very low	34.9	Very low	149 Å²	149	99.2 Å²	99.2	80%	0.797	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-4.9	-156.1	-55.3	-54.3	0	0	0	115.3	S60	S60-D62 VanDerWaalsContact C-N 3.3Å; S60-D62 PolarHBondContact O-N 3.3Å
63	A	31.6	Very low	33.9	Very low	88 Å²	88	108.6 Å²	108.6	73%	0.727	64%	0.641	S	S	*	*			trans	-107.1	52	-169.5	0	0	0	0	0	114.2
64	D	29.8	Very low	33.4	Very low	130 Å²	130	110.7 Å²	110.7	70%	0.695	66%	0.662	S	S	*	*			trans	-155.8	54.4	166	-133.7	-2.9	0	0	0	114.1
65	I	30.8	Very low	32.5	Very low	157 Å²	157	114.6 Å²	114.6	81%	0.805	68%	0.684	S	S	*	*			trans	-138.8	101.5	161.6	-55.4	177.1	0	0	0	108.1
66	L	32.1	Very low	31.5	Very low	161 Å²	161	118 Å²	118	84%	0.843	72%	0.716	S	S	*	*			trans	-177.3	79.7	147.8	-104.2	164.1	0	0	0	110.8
67	G	25.1	Very low	30.8	Very low	88 Å²	88	122.7 Å²	122.7	91%	0.907	75%	0.749	S	S	*	*			trans	-100.9	63.1	166.2	0	0	0	0	0	111.5
68	D	29.1	Very low	30.2	Very low	144 Å²	144	123.5 Å²	123.5	77%	0.77	76%	0.756	S	S	*	*			trans	-150.8	155.6	163.7	-148.4	-15.1	0	0	0	111.7
69	S	26.7	Very low	29.9	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	78%	0.775	S	S	*	*			trans	-113.7	126.8	-161.1	60.1	0	0	0	0	114.7
70	V	31.8	Very low	29.2	Very low	140 Å²	140	132.6 Å²	132.6	85%	0.848	80%	0.798	S	S	*	*			trans	-144.5	129.1	155.5	-170.4	0	0	0	0	110.2
71	D	25.8	Very low	29	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	80%	0.804	S	S	*	*			trans	-70.9	143.4	171.4	-68.7	-85.5	0	0	0	112.5
72	T	32.1	Very low	28.8	Very low	143 Å²	143	137.5 Å²	137.5	88%	0.877	81%	0.808	S	S	*	*			trans	-158	144.9	146.2	-5.2	0	0	0	0	112.6
73	K	24.4	Very low	28.5	Very low	204 Å²	204	140.3 Å²	140.3	89%	0.887	82%	0.816	S	S	*	*			trans	-100.7	144.5	176.3	-63.8	172.7	178.8	173.6	0	110.8
74	A	30.8	Very low	28.4	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	82%	0.817	S	S	*	*			trans	-152.3	150.3	157.9	0	0	0	0	0	110.5
75	D	23.3	Very low	28.6	Very low	161 Å²	161	139.7 Å²	139.7	86%	0.861	83%	0.825	S	S	*	*			trans	-110.9	155.8	-170.4	-82.6	-68.9	0	0	0	114
76	A	26.5	Very low	28.3	Very low	100 Å²	100	141.9 Å²	141.9	83%	0.826	83%	0.829	S	S	*	*			trans	68.6	167	158.3	0	0	0	0	0	117
77	S	29.1	Very low	28.5	Very low	116 Å²	116	142.5 Å²	142.5	81%	0.811	83%	0.831	S	S	*	*			cis	-147.7	175.3	11.9	65.3	0	0	0	0	114.1
78	I	26	Very low	28.5	Very low	149 Å²	149	148.1 Å²	148.1	76%	0.764	83%	0.831	S	S	*	*			trans	-91.8	142.8	-171	-63.6	158	0	0	0	112.3	K80	I78-K80 HydrophobicContact CG2-CG 4.45Å
79	V	31.2	Very low	28.6	Very low	134 Å²	134	144.8 Å²	144.8	81%	0.812	83%	0.83	S	S	*	*			trans	-133.4	140.2	153.1	-176.4	0	0	0	0	110.8
80	K	24.5	Very low	28.8	Very low	183 Å²	183	150 Å²	150	80%	0.796	84%	0.84	S	S	*	*			trans	-131.9	134.7	171.8	-72.5	179.9	177.7	176.7	0	110.1	I78	I78-K80 HydrophobicContact CG2-CG 4.45Å
81	H	31.8	Very low	28.7	Very low	178 Å²	178	150.9 Å²	150.9	82%	0.824	84%	0.84	S	S	*	*			trans	-163.2	152.4	160.2	-86.6	-72.9	0	0	0	109.2
82	S	29.5	Very low	29	Very low	102 Å²	102	153 Å²	153	71%	0.713	84%	0.842	S	S	*	*			cis	-165.5	156.9	-36.7	36.8	0	0	0	0	108.3
83	E	26.1	Very low	28.7	Very low	207 Å²	207	155.2 Å²	155.2	97%	0.967	84%	0.839	S	S	*	*			trans	-77.8	153.9	-171.7	-59.8	-170.9	127	0	0	115.2
84	G	29.9	Very low	28.8	Very low	72 Å²	72	150 Å²	150	74%	0.742	83%	0.829	S	S	*	*			trans	-152.2	149.7	171.2	0	0	0	0	0	112.2
85	P	33.5	Very low	28.9	Very low	134 Å²	134	151.4 Å²	151.4	87%	0.87	82%	0.822	S	S	*	*			trans	-109.5	172.7	-142.8	39.9	-35.3	0	0	0	118.2
86	K	25.2	Very low	29.1	Very low	202 Å²	202	150.9 Å²	150.9	88%	0.878	82%	0.819	S	S	*	*			trans	-83.9	151.1	-174.9	-60.1	155.5	-177	157.8	0	113.3
87	I	35.9	Very low	29.5	Very low	174 Å²	174	151.2 Å²	151.2	89%	0.892	82%	0.821	S	S	*	*			trans	-121.7	151	162.3	-64	-179.5	0	0	0	109.9
88	K	25.8	Very low	29.3	Very low	207 Å²	207	157 Å²	157	90%	0.9	83%	0.825	S	S	*	*			trans	-129	144	-175.9	-79.9	-178.5	174.5	176.6	0	113
89	G	31.8	Very low	29.5	Very low	74 Å²	74	158.1 Å²	158.1	76%	0.763	83%	0.825	S	S	*	*			trans	121.1	154.7	156.1	0	0	0	0	0	114.8
90	K	30.8	Very low	29.4	Very low	211 Å²	211	158.9 Å²	158.9	92%	0.917	82%	0.819	S	S	*	*			cis	-163.5	142.4	-10.4	-128.5	178.4	-176.3	178.8	0	109.4
91	N	28.5	Very low	29.6	Very low	159 Å²	159	156.5 Å²	156.5	85%	0.85	82%	0.82	S	S	*	*			trans	-53.5	146.7	-170.6	-51.1	-11.4	0	0	0	118.4
92	K	32.2	Very low	29.4	Very low	199 Å²	199	153.7 Å²	153.7	87%	0.865	82%	0.818	S	S	*	*			trans	-172.3	132.1	130.7	-101.8	167.8	-176.2	-176.3	0	108
93	K	26.4	Very low	29.3	Very low	190 Å²	190	157.8 Å²	157.8	83%	0.826	82%	0.822	S	S	*	*				49.2	128.2	72.2	-95	-157.9	166.5	-170.4	0	113.3
94	S	27.3	Very low	29.4	Very low	95 Å²	95	157 Å²	157	66%	0.664	82%	0.819	S	S	*	*			cis	-172	-177.4	-5.9	41.2	0	0	0	0	107.6
95	D	32.9	Very low	29.4	Very low	133 Å²	133	157.4 Å²	157.4	71%	0.711	82%	0.823	S	S	*	*			cis	-153.6	-151	14.7	-149.9	-83.4	0	0	0	111.5
96	N	27.6	Very low	29	Very low	150 Å²	150	160.9 Å²	160.9	80%	0.802	82%	0.824	S	S	*	*			trans	-80.9	148.8	-174.4	-68.9	-91.1	0	0	0	116
97	A	32.8	Very low	29.2	Very low	106 Å²	106	160.2 Å²	160.2	88%	0.876	82%	0.821	S	S	*	*			trans	-148.5	154.3	150.8	0	0	0	0	0	110.9
98	R	26.5	Very low	28.8	Very low	237 Å²	237	160.1 Å²	160.1	89%	0.894	82%	0.817	S	S	*	*			trans	-143.1	156.4	-170.8	-167.1	-177.8	-171	-174.7	4.5	109.1
99	K	29.4	Very low	28.8	Very low	174 Å²	174	156.6 Å²	156.6	76%	0.757	81%	0.813	S	S	*	*			trans	82.4	155.6	-174.5	-54.6	155.3	146.4	-95.3	0	112.9
100	E	28.6	Very low	28.7	Very low	149 Å²	149	164.4 Å²	164.4	70%	0.696	82%	0.82	S	S	*	*			cis	-147.6	165.2	0.1	-139.5	134.7	-119.8	0	0	111.1
101	V	29.7	Very low	28.5	Very low	133 Å²	133	162.6 Å²	162.6	81%	0.806	81%	0.814	S	S	*	*			trans	-114.4	120.9	178.7	176.6	0	0	0	0	111.3
102	P	28.2	Very low	28.5	Very low	120 Å²	120	161.7 Å²	161.7	78%	0.779	81%	0.808	S	S	*	*			trans	-94.2	157.4	159.2	8.2	11.5	0	0	0	111.7
103	K	27.4	Very low	28.2	Very low	187 Å²	187	160.5 Å²	160.5	81%	0.813	81%	0.806	S	S	*	*			trans	-102.7	170.9	-176.7	-59.7	176.9	177.6	175.4	0	112.4
104	Q	27.3	Very low	28.3	Very low	191 Å²	191	158.4 Å²	158.4	89%	0.893	80%	0.799	S	S	*	*			trans	74.2	104.8	158.1	-65.3	175.4	-5.6	0	0	118.2
105	G	29.5	Very low	28.3	Very low	80 Å²	80	160.5 Å²	160.5	83%	0.825	81%	0.808	S	S	*	*			trans	-139.5	94.9	153.7	0	0	0	0	0	109.5
106	K	25.7	Very low	28.2	Very low	208 Å²	208	163.3 Å²	163.3	90%	0.904	81%	0.809	S	S	*	*			trans	-70.2	129.3	175.9	-70.4	-179.8	177.1	-179.9	0	109.7
107	K	29.1	Very low	28.5	Very low	187 Å²	187	161.4 Å²	161.4	81%	0.813	80%	0.799	S	S	*	*			trans	-158.4	120.6	153.7	-115.2	166.1	-173.6	179.3	0	114.1
108	Q	28	Very low	28.4	Very low	172 Å²	172	164.3 Å²	164.3	80%	0.804	79%	0.794	S	S	*	*			trans	54.2	94.4	146	-70.7	164.9	-39.1	0	0	118.6
109	T	24.5	Very low	28.7	Very low	134 Å²	134	155 Å²	155	82%	0.822	77%	0.771	S	S	*	*			trans	-48.8	136	153.7	-39.8	0	0	0	0	111.4
110	R	30.1	Very low	28.8	Very low	237 Å²	237	149.5 Å²	149.5	89%	0.894	76%	0.755	S	S	*	*			trans	-118.2	132.8	149.3	-83.1	-174.9	167.2	-176.8	-5	107.3
111	Q	26.5	Very low	29	Very low	173 Å²	173	146.6 Å²	146.6	81%	0.808	75%	0.747	S	S	*	*			trans	-72.9	131.6	174.6	-69.9	156	-75.8	0	0	108.8
112	I	29.5	Very low	29	Very low	141 Å²	141	143.3 Å²	143.3	72%	0.723	73%	0.734	S	S	*	*			trans	-130.1	112.9	159.7	-59.5	-179.9	0	0	0	104.3	E114	I112-E114 VanDerWaalsContact C-N 3.29Å; I112-E114 HydrophobicContact CG2-CG 4.19Å; I112-E114 PolarHBondContact O-N 3.47Å; I112-E114 VanDerWaalsContact O-N 3.08Å
113	E	25.2	Very low	29.2	Very low	173 Å²	173	145.5 Å²	145.5	81%	0.808	73%	0.731	S	S	*	*			trans	-83.4	76.8	179.2	-68.9	175.6	132.5	0	0	109.1	T115	E113-T115 PolarHBondContact O-N 2.86Å; E113-T115 VanDerWaalsContact O-N 3.16Å
114	E	28.8	Very low	29.8	Very low	147 Å²	147	139.5 Å²	139.5	69%	0.687	72%	0.717	S	S	*	*			trans	-74	97	162.9	-77.8	-177.7	-175.2	0	0	108.5	I112 R116	I112-E114 VanDerWaalsContact C-N 3.29Å; I112-E114 HydrophobicContact CG2-CG 4.19Å; I112-E114 PolarHBondContact O-N 3.47Å; I112-E114 VanDerWaalsContact O-N 3.08Å; E114-R116 PolarHBondContact O-N 2.73Å
115	T	28.2	Very low	30.2	Very low	139 Å²	139	133 Å²	133	85%	0.853	70%	0.695	S	S	*	*			trans	-67.9	78.1	169	51.9	0	0	0	0	109.7	E113 D117	E113-T115 PolarHBondContact O-N 2.86Å; E113-T115 VanDerWaalsContact O-N 3.16Å; T115-D117 PolarHBondContact O-N 2.73Å
116	R	30.3	Very low	30.6	Very low	192 Å²	192	133.8 Å²	133.8	73%	0.725	68%	0.68	S	S	*	*			trans	-73.1	123.5	179.7	-143.8	174.6	-169.6	140.5	3.8	108.8	E114 E118	E114-R116 PolarHBondContact O-N 2.73Å; R116-E118 PolarHBondContact O-N 3.31Å
117	D	33.9	Very low	31.7	Very low	110 Å²	110	125.1 Å²	125.1	59%	0.588	65%	0.648	S	S	*	*			trans	-70.4	91.3	-175.4	-179.5	8.2	0	0	0	111.3	T115 G119 S120	T115-D117 PolarHBondContact O-N 2.73Å; D117-G119 PolarHBondContact O-N 3.08Å; D117-G119 PolarHBondContact OD1-N 3.47Å; D117-S120 WeakPolarHBondContact O-CB 3.39Å; D117-S120 PolarHBondContact O-N 3.26Å; D117-S120 VanDerWaalsContact O-N 3.08Å; D117-S120 PolarHBondContact O-OG 2.72Å
118	E	30.6	Very low	32.8	Very low	167 Å²	167	119.4 Å²	119.4	78%	0.78	63%	0.626	S	S	*	*	H	α-helix	trans	-58.9	-27.7	-177.3	-60.2	-166	142.8	0	0	112.7	R116 S120 V121 A122	R116-E118 PolarHBondContact O-N 3.31Å; E118-S120 VanDerWaalsContact C-N 3.35Å; E118-S120 PolarHBondContact O-N 2.98Å; E118-V121 PolarHBondContact O-N 3.49Å; E118-A122 WeakPolarHBondContact O-CB 3.49Å; E118-A122 PolarHBondContact O-N 2.95Å
119	G	31.7	Very low	34.2	Very low	41 Å²	41	115.5 Å²	115.5	42%	0.423	61%	0.611	S	S	.	*	H	α-helix	trans	-65.5	-35.8	176.6	0	0	0	0	0	113	D117 K123	D117-G119 PolarHBondContact O-N 3.08Å; D117-G119 PolarHBondContact OD1-N 3.47Å; G119-K123 WeakPolarHBondContact O-CG 3.32Å; G119-K123 PolarHBondContact O-N 2.85Å
120	S	32.7	Very low	35.9	Very low	59 Å²	59	111 Å²	111	41%	0.413	58%	0.581	S	S	.	*	H	α-helix	trans	-66.5	-43.6	175.5	72.4	0	0	0	0	112.1	D117 E118 K123 A124	D117-S120 WeakPolarHBondContact O-CB 3.39Å; D117-S120 PolarHBondContact O-N 3.26Å; D117-S120 VanDerWaalsContact O-N 3.08Å; D117-S120 PolarHBondContact O-OG 2.72Å; E118-S120 VanDerWaalsContact C-N 3.35Å; E118-S120 PolarHBondContact O-N 2.98Å; S120-K123 PolarHBondContact O-N 3.46Å; S120-A124 PolarHBondContact O-N 3.49Å
121	V	32.6	Very low	37.5	Very low	87 Å²	87	99.7 Å²	99.7	53%	0.527	54%	0.538	S	S	.	.	H	α-helix	trans	-69.1	-39	-178.8	-175.6	0	0	0	0	111	E118 A124 A125	E118-V121 PolarHBondContact O-N 3.49Å; V121-A124 PolarHBondContact O-N 2.93Å; V121-A125 WeakPolarHBondContact O-CB 3.33Å; V121-A125 PolarHBondContact O-N 3.38Å
122	A	29.3	Very low	39	Very low	64 Å²	64	98.4 Å²	98.4	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-41.9	175.9	0	0	0	0	0	112.4	E118 A125 L126	E118-A122 WeakPolarHBondContact O-CB 3.49Å; E118-A122 PolarHBondContact O-N 2.95Å; A122-A125 PolarHBondContact O-N 3.17Å; A122-L126 PolarHBondContact O-N 2.72Å; A122-L126 VanDerWaalsContact O-N 3.15Å
123	K	33.4	Very low	40.5	Very low	167 Å²	167	92.1 Å²	92.1	73%	0.726	49%	0.494	S	S	*	.	H	α-helix	trans	-63.6	-46.9	174.5	-76	-177.9	176	-172.9	0	112.2	G119 S120 A125 L126 A127	G119-K123 WeakPolarHBondContact O-CG 3.32Å; G119-K123 PolarHBondContact O-N 2.85Å; S120-K123 PolarHBondContact O-N 3.46Å; K123-A125 VanDerWaalsContact C-N 3.31Å; K123-A125 PolarHBondContact O-N 2.85Å; K123-L126 WeakPolarHBondContact O-CB 3.37Å; K123-L126 PolarHBondContact O-N 2.78Å; K123-L126 VanDerWaalsContact O-N 3.16Å; K123-A127 PolarHBondContact O-N 2.89Å; K123-A127 VanDerWaalsContact O-N 3.08Å
124	A	38.2	Very low	41.9	Very low	61 Å²	61	88.5 Å²	88.5	50%	0.504	48%	0.478	S	S	.	.	H	α-helix	trans	-60.7	-39.4	178.6	0	0	0	0	0	112.4	S120 V121 A127 D128	S120-A124 PolarHBondContact O-N 3.49Å; V121-A124 PolarHBondContact O-N 2.93Å; A124-A127 PolarHBondContact O-N 3.4Å; A124-D128 PolarHBondContact O-N 3.37Å
125	A	36.4	Very low	43.3	Very low	54 Å²	54	84.7 Å²	84.7	45%	0.446	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-40.8	174.7	0	0	0	0	0	112.5	V121 A122 K123 A127 D128 D129	V121-A125 WeakPolarHBondContact O-CB 3.33Å; V121-A125 PolarHBondContact O-N 3.38Å; A122-A125 PolarHBondContact O-N 3.17Å; K123-A125 VanDerWaalsContact C-N 3.31Å; K123-A125 PolarHBondContact O-N 2.85Å; A125-A127 VanDerWaalsContact C-N 3.3Å; A125-A127 PolarHBondContact O-N 2.97Å; A125-D128 PolarHBondContact O-N 3.36Å; A125-D129 PolarHBondContact O-N 3.24Å
126	L	39	Very low	44.6	Very low	96 Å²	96	85.2 Å²	85.2	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-36.2	177.3	-153.7	79.6	0	0	0	112.2	A122 K123 D128 D129 Q360	A122-L126 PolarHBondContact O-N 2.72Å; A122-L126 VanDerWaalsContact O-N 3.15Å; K123-L126 WeakPolarHBondContact O-CB 3.37Å; K123-L126 PolarHBondContact O-N 2.78Å; K123-L126 VanDerWaalsContact O-N 3.16Å; L126-D128 VanDerWaalsContact C-N 3.34Å; L126-D129 PolarHBondContact O-N 3.13Å; L126-Q360 PolarHBondContact O-NE2 3.16Å
127	A	47.1	Very low	46	Very low	27 Å²	27	80.1 Å²	80.1	22%	0.223	43%	0.428	C	S	.	.	H	α-helix	trans	-73.9	-18.8	177.4	0	0	0	0	0	114.4	K123 A124 A125 K330	K123-A127 PolarHBondContact O-N 2.89Å; K123-A127 VanDerWaalsContact O-N 3.08Å; A124-A127 PolarHBondContact O-N 3.4Å; A125-A127 VanDerWaalsContact C-N 3.3Å; A125-A127 PolarHBondContact O-N 2.97Å; A127-K330 PolarHBondContact O-NZ 3.25Å
128	D	53.4	Low	47.6	Very low	67 Å²	67	75 Å²	75	36%	0.358	40%	0.401	S	S	.	.	H	α-helix	trans	-85.5	-26.4	170	-99.3	0.3	0	0	0	113.1	A124 A125 L126 K330	A124-D128 PolarHBondContact O-N 3.37Å; A125-D128 PolarHBondContact O-N 3.36Å; L126-D128 VanDerWaalsContact C-N 3.34Å; D128-K330 IonicContact OD1-NZ 2.79Å; D128-K330 PolarHBondContact OD1-NZ 2.93Å
129	D	57.3	Low	49.3	Very low	90 Å²	90	68.4 Å²	68.4	48%	0.481	37%	0.368	S	S	.	.	H	α-helix	trans	-79.7	-30.3	-175.7	-95.2	-19.7	0	0	0	114.8	A125 L126 Y131 R132	A125-D129 PolarHBondContact O-N 3.24Å; L126-D129 PolarHBondContact O-N 3.13Å; D129-Y131 VanDerWaalsContact C-N 3.33Å; D129-Y131 PolarHBondContact O-N 3.32Å; D129-R132 WeakPolarHBondContact O-CB 3.44Å; D129-R132 PolarHBondContact O-N 3.04Å; D129-R132 WeakPolarHBondContact OD1-CD 3.44Å; D129-R132 IonicContact OD1-CZ 3.16Å; D129-R132 IonicContact OD1-NE 3.96Å; D129-R132 IonicContact OD1-NH1 2.84Å; D129-R132 PolarHBondContact OD1-NH1 3.47Å
130	I	60.4	Low	50.8	Low	38 Å²	38	67.8 Å²	67.8	20%	0.195	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-45.9	177.1	-75.3	-166.2	0	0	0	111.4	R132 T353 E356 Q360	I130-R132 PolarHBondContact O-N 3.33Å; I130-R132 VanDerWaalsContact O-N 3.15Å; I130-T353 HydrophobicContact CD1-CG2 4.29Å; I130-T353 HydrophobicContact CG2-CG2 3.89Å; I130-E356 HydrophobicContact CD1-CB 3.88Å; I130-E356 HydrophobicContact CD1-CG 3.8Å; I130-Q360 VanDerWaalsContact CD1-CD 3.47Å; I130-Q360 VanDerWaalsContact CD1-OE1 3.31Å
131	Y	62.3	Low	52.2	Low	1 Å²	1	70.7 Å²	70.7	0%	0.004	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	5.3	-176.7	-71.7	-87.6	0	0	0	113.9	D129 V133 D323 V326 N327 I341 L357 F361	D129-Y131 VanDerWaalsContact C-N 3.33Å; D129-Y131 PolarHBondContact O-N 3.32Å; Y131-V133 VanDerWaalsContact C-N 3.29Å; Y131-V133 PolarHBondContact O-N 3.01Å; Y131-D323 HydrophobicContact CD1-CB 3.84Å; Y131-V326 HydrophobicContact CD1-CB 4Å; Y131-V326 HydrophobicContact CD1-CG1 4.13Å; Y131-V326 HydrophobicContact CE1-CB 3.69Å; Y131-V326 HydrophobicContact CE1-CG1 3.59Å; Y131-V326 HydrophobicContact CE1-CG2 4.19Å; Y131-N327 VanDerWaalsContact CB-OD1 3.22Å; Y131-N327 WeakPolarHBondContact CB-OD1 3.17Å; Y131-N327 PolarHBondContact O-ND2 3.16Å; Y131-I341 HydrophobicContact CE1-CD1 3.46Å; Y131-I341 VanDerWaalsContact CE1-CD1 3.46Å; Y131-I341 WeakPolarHBondContact OH-CD1 3.49Å; Y131-L357 VanDerWaalsContact OH-CD1 3.31Å; Y131-L357 WeakPolarHBondContact OH-CD1 3.15Å; Y131-F361 AromaticContact CE2-CE2 3.6Å; Y131-F361 HydrophobicContact CE2-CE2 3.6Å; Y131-F361 AromaticContact CE2-CZ 3.57Å; Y131-F361 HydrophobicContact CE2-CZ 3.57Å; Y131-F361 AromaticContact CZ-CE2 3.78Å; Y131-F361 AromaticContact CZ-CZ 3.66Å; Y131-F361 WeakPolarHBondContact OH-CE2 3.38Å; Y131-F361 VanDerWaalsContact OH-CZ 3.26Å; Y131-F361 WeakPolarHBondContact OH-CZ 3.3Å
132	R	59.5	Low	53.7	Low	146 Å²	146	70.3 Å²	70.3	55%	0.551	36%	0.356	S	S	*	.			trans	-91.4	57.3	-163	-155.3	173.1	172.7	-149.5	-1.9	113.7	D129 I130 M134	D129-R132 WeakPolarHBondContact O-CB 3.44Å; D129-R132 PolarHBondContact O-N 3.04Å; D129-R132 WeakPolarHBondContact OD1-CD 3.44Å; D129-R132 IonicContact OD1-CZ 3.16Å; D129-R132 IonicContact OD1-NE 3.96Å; D129-R132 IonicContact OD1-NH1 2.84Å; D129-R132 PolarHBondContact OD1-NH1 3.47Å; I130-R132 PolarHBondContact O-N 3.33Å; I130-R132 VanDerWaalsContact O-N 3.15Å; R132-M134 PolarHBondContact O-N 3.19Å
133	V	61.3	Low	55.2	Low	9 Å²	9	69.3 Å²	69.3	6%	0.055	34%	0.341	C	S	.	.			trans	-48.9	132.3	176.8	175	0	0	0	0	112.2	Y131 L138 T279 L320 D323 P324	Y131-V133 VanDerWaalsContact C-N 3.29Å; Y131-V133 PolarHBondContact O-N 3.01Å; V133-L138 HydrophobicContact CG1-CD1 3.8Å; V133-L138 HydrophobicContact CG1-CD2 4.47Å; V133-L138 HydrophobicContact CG1-CG 3.71Å; V133-T279 WeakPolarHBondContact O-CB 3.42Å; V133-T279 WeakPolarHBondContact O-CG2 3.45Å; V133-L320 HydrophobicContact CB-CD2 4.41Å; V133-L320 HydrophobicContact CG1-CB 4.05Å; V133-L320 HydrophobicContact CG1-CD2 3.85Å; V133-L320 HydrophobicContact CG2-CD2 3.97Å; V133-D323 HydrophobicContact CG2-CB 3.66Å; V133-P324 HydrophobicContact CB-CG 4.11Å; V133-P324 HydrophobicContact CG1-CG 4.39Å; V133-P324 HydrophobicContact CG2-CG 3.98Å
134	M	53	Low	56.6	Low	97 Å²	97	62.4 Å²	62.4	48%	0.478	31%	0.312	S	S	.	.			trans	-91.3	137.8	170.4	-53.9	-171.3	80.8	0	0	111.7	R132 R136 F137	R132-M134 PolarHBondContact O-N 3.19Å; M134-R136 HydrophobicContact CB-CG 3.96Å; M134-R136 PolarHBondContact O-N 2.97Å; M134-R136 PolarHBondContact SD-NH2 3.39Å; M134-F137 HydrophobicContact CB-CD2 3.73Å; M134-F137 HydrophobicContact CB-CE2 3.83Å; M134-F137 HydrophobicContact CG-CD2 4.33Å; M134-F137 HydrophobicContact CG-CE2 4.02Å; M134-F137 PolarHBondContact O-N 3.39Å; M134-F137 HydrophobicContact SD-CE2 4.16Å
135	Y	59.4	Low	57.9	Low	67 Å²	67	61.9 Å²	61.9	26%	0.263	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-26.3	179.2	-81.8	-77.2	0	0	0	116.2	F137 L138 T277 I278 T279	Y135-F137 VanDerWaalsContact C-N 3.27Å; Y135-F137 PolarHBondContact O-N 3.21Å; Y135-L138 HydrophobicContact CD1-CD1 4.13Å; Y135-L138 PolarHBondContact O-N 3.27Å; Y135-T277 HydrophobicContact CE2-CG2 4.32Å; Y135-I278 HydrophobicContact CE1-CG2 4.1Å; Y135-T279 HydrophobicContact CD1-CG2 4.21Å; Y135-T279 HydrophobicContact CD2-CG2 3.66Å; Y135-T279 HydrophobicContact CE1-CG2 4.23Å; Y135-T279 HydrophobicContact CE2-CG2 3.67Å; Y135-T279 WeakPolarHBondContact CE2-OG1 3.38Å; Y135-T279 HydrophobicContact CG-CG2 3.94Å
136	R	54.1	Low	59.1	Low	149 Å²	149	63.6 Å²	63.6	56%	0.562	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.5	175.6	55.6	171.3	162.6	-169.5	-3.7	114.2	M134	M134-R136 HydrophobicContact CB-CG 3.96Å; M134-R136 PolarHBondContact O-N 2.97Å; M134-R136 PolarHBondContact SD-NH2 3.39Å
137	F	61.2	Low	60	Low	86 Å²	86	63.2 Å²	63.2	38%	0.377	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-22.8	-179.4	-50	-60.7	0	0	0	111.4	M134 Y135 R139 L320	M134-F137 HydrophobicContact CB-CD2 3.73Å; M134-F137 HydrophobicContact CB-CE2 3.83Å; M134-F137 HydrophobicContact CG-CD2 4.33Å; M134-F137 HydrophobicContact CG-CE2 4.02Å; M134-F137 PolarHBondContact O-N 3.39Å; M134-F137 HydrophobicContact SD-CE2 4.16Å; Y135-F137 VanDerWaalsContact C-N 3.27Å; Y135-F137 PolarHBondContact O-N 3.21Å; F137-R139 PolarHBondContact O-N 3.46Å; F137-L320 HydrophobicContact CB-CD1 3.43Å; F137-L320 VanDerWaalsContact CB-CD1 3.43Å; F137-L320 HydrophobicContact CB-CD2 3.95Å; F137-L320 HydrophobicContact CB-CG 4.27Å; F137-L320 WeakPolarHBondContact O-CD1 3.42Å
138	L	66.7	Low	60.7	Low	3 Å²	3	70.5 Å²	70.5	2%	0.016	32%	0.322	C	S	.	.	S	Bend	trans	-63.9	15.6	169.9	-83.6	161.2	0	0	0	114.5	V133 Y135 I171 T279 F317 L320 Q321	V133-L138 HydrophobicContact CG1-CD1 3.8Å; V133-L138 HydrophobicContact CG1-CD2 4.47Å; V133-L138 HydrophobicContact CG1-CG 3.71Å; Y135-L138 HydrophobicContact CD1-CD1 4.13Å; Y135-L138 PolarHBondContact O-N 3.27Å; L138-I171 HydrophobicContact CB-CG2 4.38Å; L138-I171 HydrophobicContact CD1-CG1 4.21Å; L138-I171 HydrophobicContact CD2-CG1 4.36Å; L138-I171 HydrophobicContact CD2-CG2 4.1Å; L138-I171 VanDerWaalsContact O-O 3.05Å; L138-T279 HydrophobicContact CD1-CG2 3.78Å; L138-F317 WeakPolarHBondContact O-CE2 3.45Å; L138-L320 WeakPolarHBondContact CD2-O 3.2Å; L138-Q321 HydrophobicContact CD2-CG 4.29Å
139	R	66.7	Low	60.9	Low	27 Å²	27	74.2 Å²	74.2	10%	0.102	33%	0.331	C	S	.	.			trans	-134.8	94.6	-178.3	-71.7	-174	176.2	-176.5	1.1	110.3	F137 Q141 E142 E143 T168 G170 I171	F137-R139 PolarHBondContact O-N 3.46Å; R139-Q141 PolarHBondContact O-N 3.23Å; R139-E142 HydrophobicContact CB-CB 3.99Å; R139-E142 HydrophobicContact CB-CG 4Å; R139-E142 VanDerWaalsContact CD-CD 3.45Å; R139-E142 WeakPolarHBondContact CD-OE1 3.3Å; R139-E142 IonicContact CZ-OE1 3.96Å; R139-E142 IonicContact NE-OE1 2.84Å; R139-E142 IonicContact NH1-OE1 3.68Å; R139-E142 PolarHBondContact NH1-OE1 2.91Å; R139-E142 PolarHBondContact O-N 3.13Å; R139-E143 PolarHBondContact O-N 3.41Å; R139-E143 VanDerWaalsContact O-N 3.17Å; R139-T168 PolarHBondContact NH2-O 3.2Å; R139-G170 VanDerWaalsContact CZ-O 3.31Å; R139-G170 PolarHBondContact NE-O 3.3Å; R139-G170 PolarHBondContact NH2-O 3.36Å; R139-I171 WeakPolarHBondContact CG-O 3.3Å
140	P	62.2	Low	60.9	Low	29 Å²	29	76.2 Å²	76.2	19%	0.188	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-30.4	-174.2	26.8	-31.3	0	0	0	110.8	E142 E143 I144 Q314 F317	P140-E142 PolarHBondContact O-N 3.33Å; P140-E143 PolarHBondContact O-N 2.97Å; P140-I144 HydrophobicContact CB-CD1 4.5Å; P140-I144 VanDerWaalsContact O-CB 3.26Å; P140-I144 WeakPolarHBondContact O-CB 3.42Å; P140-I144 VanDerWaalsContact O-CD1 3.27Å; P140-I144 WeakPolarHBondContact O-CD1 3.42Å; P140-I144 WeakPolarHBondContact O-CG1 3.38Å; P140-I144 PolarHBondContact O-N 3Å; P140-Q314 HydrophobicContact CB-CG 4.49Å; P140-F317 HydrophobicContact CB-CB 3.81Å; P140-F317 HydrophobicContact CB-CD1 3.99Å; P140-F317 HydrophobicContact CB-CD2 4.36Å; P140-F317 HydrophobicContact CB-CG 3.81Å; P140-F317 HydrophobicContact CG-CB 4.38Å; P140-F317 HydrophobicContact CG-CD1 3.75Å; P140-F317 HydrophobicContact CG-CD2 4.08Å; P140-F317 HydrophobicContact CG-CE1 3.86Å; P140-F317 HydrophobicContact CG-CE2 4.19Å; P140-F317 HydrophobicContact CG-CG 3.81Å; P140-F317 HydrophobicContact CG-CZ 4.04Å
141	Q	63.6	Low	60.5	Low	119 Å²	119	78 Å²	78	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-67.7	-32.5	175.4	-165.1	61.2	55.1	0	0	112.7	R139 D145	R139-Q141 PolarHBondContact O-N 3.23Å; Q141-D145 PolarHBondContact NE2-OD1 3.5Å; Q141-D145 WeakPolarHBondContact O-CB 3.36Å; Q141-D145 PolarHBondContact O-N 3.25Å; Q141-D145 VanDerWaalsContact O-OD1 3.12Å
142	E	63.2	Low	59.7	Low	79 Å²	79	80.1 Å²	80.1	37%	0.369	39%	0.391	S	S	.	.	H	α-helix	trans	-74	-35.5	175.1	-68.1	-173.3	-160	0	0	111	R139 P140 N146	R139-E142 HydrophobicContact CB-CB 3.99Å; R139-E142 HydrophobicContact CB-CG 4Å; R139-E142 VanDerWaalsContact CD-CD 3.45Å; R139-E142 WeakPolarHBondContact CD-OE1 3.3Å; R139-E142 IonicContact CZ-OE1 3.96Å; R139-E142 IonicContact NE-OE1 2.84Å; R139-E142 IonicContact NH1-OE1 3.68Å; R139-E142 PolarHBondContact NH1-OE1 2.91Å; R139-E142 PolarHBondContact O-N 3.13Å; P140-E142 PolarHBondContact O-N 3.33Å; E142-N146 WeakPolarHBondContact O-CB 3.46Å; E142-N146 PolarHBondContact O-N 3.21Å; E142-N146 PolarHBondContact O-ND2 3.43Å
143	E	61.3	Low	59.1	Low	43 Å²	43	80.9 Å²	80.9	20%	0.201	41%	0.405	C	S	.	.	H	α-helix	trans	-66.3	-48.6	172.9	-169.7	178.5	157.2	0	0	112.4	R139 P140 D145 N146 M147 S316	R139-E143 PolarHBondContact O-N 3.41Å; R139-E143 VanDerWaalsContact O-N 3.17Å; P140-E143 PolarHBondContact O-N 2.97Å; E143-D145 PolarHBondContact O-N 3.46Å; E143-N146 PolarHBondContact O-N 2.81Å; E143-N146 VanDerWaalsContact O-N 3.16Å; E143-M147 WeakPolarHBondContact O-CB 3.22Å; E143-M147 PolarHBondContact O-N 2.86Å; E143-S316 WeakPolarHBondContact OE1-CB 3.19Å; E143-S316 PolarHBondContact OE1-OG 3Å; E143-S316 WeakPolarHBondContact OE2-CB 3.24Å
144	I	62.8	Low	58.5	Low	22 Å²	22	84.6 Å²	84.6	11%	0.113	43%	0.425	C	S	.	.	H	α-helix	trans	-56.9	-48.8	174	-72.1	162.4	0	0	0	110.8	P140 N146 M147 Y148 P313 Q314	P140-I144 HydrophobicContact CB-CD1 4.5Å; P140-I144 VanDerWaalsContact O-CB 3.26Å; P140-I144 WeakPolarHBondContact O-CB 3.42Å; P140-I144 VanDerWaalsContact O-CD1 3.27Å; P140-I144 WeakPolarHBondContact O-CD1 3.42Å; P140-I144 WeakPolarHBondContact O-CG1 3.38Å; P140-I144 PolarHBondContact O-N 3Å; I144-N146 VanDerWaalsContact C-N 3.32Å; I144-N146 PolarHBondContact O-N 3.43Å; I144-M147 PolarHBondContact O-N 2.92Å; I144-Y148 HydrophobicContact CG2-CD2 3.73Å; I144-Y148 HydrophobicContact CG2-CE2 3.73Å; I144-Y148 VanDerWaalsContact O-CD2 3.3Å; I144-Y148 WeakPolarHBondContact O-CD2 3.38Å; I144-Y148 PolarHBondContact O-N 3.23Å; I144-P313 HydrophobicContact CD1-CB 4.15Å; I144-P313 HydrophobicContact CG1-CB 3.49Å; I144-P313 VanDerWaalsContact CG1-CB 3.49Å; I144-P313 HydrophobicContact CG1-CG 4.17Å; I144-Q314 HydrophobicContact CD1-CG 4.4Å
145	D	65.4	Low	58.6	Low	50 Å²	50	85.1 Å²	85.1	27%	0.267	43%	0.429	S	S	.	.	H	α-helix	trans	-60.8	-42	176.7	-91.3	52.6	0	0	0	111.1	Q141 E143 R149	Q141-D145 PolarHBondContact NE2-OD1 3.5Å; Q141-D145 WeakPolarHBondContact O-CB 3.36Å; Q141-D145 PolarHBondContact O-N 3.25Å; Q141-D145 VanDerWaalsContact O-OD1 3.12Å; E143-D145 PolarHBondContact O-N 3.46Å; D145-R149 WeakPolarHBondContact O-CB 3.45Å; D145-R149 WeakPolarHBondContact O-CD 3.42Å; D145-R149 WeakPolarHBondContact O-CG 3.29Å; D145-R149 PolarHBondContact O-N 2.95Å; D145-R149 IonicContact OD2-CZ 2.79Å; D145-R149 IonicContact OD2-NE 3.59Å; D145-R149 IonicContact OD2-NH2 2.59Å; D145-R149 PolarHBondContact OD2-NH2 2.94Å
146	N	61.1	Low	58.2	Low	90 Å²	90	93 Å²	93	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-65.2	-42.1	176.8	-72.6	-32.1	0	0	0	112.1	E142 E143 I144 R149 L150	E142-N146 WeakPolarHBondContact O-CB 3.46Å; E142-N146 PolarHBondContact O-N 3.21Å; E142-N146 PolarHBondContact O-ND2 3.43Å; E143-N146 PolarHBondContact O-N 2.81Å; E143-N146 VanDerWaalsContact O-N 3.16Å; I144-N146 VanDerWaalsContact C-N 3.32Å; I144-N146 PolarHBondContact O-N 3.43Å; N146-R149 PolarHBondContact O-N 3.37Å; N146-L150 WeakPolarHBondContact O-CG 3.39Å; N146-L150 PolarHBondContact O-N 3.43Å
147	M	58.7	Low	58	Low	89 Å²	89	91.6 Å²	91.6	44%	0.438	46%	0.457	S	S	.	.	H	α-helix	trans	-58.4	-52.4	176.9	-172.6	-171	-62.5	0	0	111	E143 I144 R149 L150 P313	E143-M147 WeakPolarHBondContact O-CB 3.22Å; E143-M147 PolarHBondContact O-N 2.86Å; I144-M147 PolarHBondContact O-N 2.92Å; M147-R149 VanDerWaalsContact C-N 3.33Å; M147-R149 PolarHBondContact O-N 3.09Å; M147-L150 PolarHBondContact O-N 3.45Å; M147-P313 HydrophobicContact CE-CB 3.91Å; M147-P313 HydrophobicContact CE-CG 3.95Å; M147-P313 HydrophobicContact SD-CG 4.18Å
148	Y	61.6	Low	57.3	Low	179 Å²	179	94.5 Å²	94.5	70%	0.702	47%	0.465	S	S	*	.	H	α-helix	trans	-67.8	-29.4	177.2	-73.6	-61.6	0	0	0	113.3	I144 L150 G151	I144-Y148 HydrophobicContact CG2-CD2 3.73Å; I144-Y148 HydrophobicContact CG2-CE2 3.73Å; I144-Y148 VanDerWaalsContact O-CD2 3.3Å; I144-Y148 WeakPolarHBondContact O-CD2 3.38Å; I144-Y148 PolarHBondContact O-N 3.23Å; Y148-L150 VanDerWaalsContact C-N 3.34Å; Y148-G151 PolarHBondContact O-N 3.16Å
149	R	57.3	Low	56.5	Low	145 Å²	145	101.6 Å²	101.6	55%	0.547	50%	0.498	S	S	.	.	H	α-helix	trans	-77.1	-13.9	175.3	-70.2	163.8	-167.3	-171.2	3.8	114.2	D145 N146 M147	D145-R149 WeakPolarHBondContact O-CB 3.45Å; D145-R149 WeakPolarHBondContact O-CD 3.42Å; D145-R149 WeakPolarHBondContact O-CG 3.29Å; D145-R149 PolarHBondContact O-N 2.95Å; D145-R149 IonicContact OD2-CZ 2.79Å; D145-R149 IonicContact OD2-NE 3.59Å; D145-R149 IonicContact OD2-NH2 2.59Å; D145-R149 PolarHBondContact OD2-NH2 2.94Å; N146-R149 PolarHBondContact O-N 3.37Å; M147-R149 VanDerWaalsContact C-N 3.33Å; M147-R149 PolarHBondContact O-N 3.09Å
150	L	56.4	Low	55.7	Low	132 Å²	132	104.9 Å²	104.9	69%	0.691	53%	0.525	S	S	*	.	H	α-helix	trans	-83.5	-21.9	170.6	-73.7	165.9	0	0	0	112	N146 M147 Y148 G152	N146-L150 WeakPolarHBondContact O-CG 3.39Å; N146-L150 PolarHBondContact O-N 3.43Å; M147-L150 PolarHBondContact O-N 3.45Å; Y148-L150 VanDerWaalsContact C-N 3.34Å; L150-G152 VanDerWaalsContact C-N 3.28Å; L150-G152 PolarHBondContact O-N 2.89Å
151	G	53.3	Low	55	Low	75 Å²	75	108.9 Å²	108.9	77%	0.773	54%	0.544	S	S	*	.	S	Bend	trans	-71.9	-8.5	178.6	0	0	0	0	0	116.1	Y148	Y148-G151 PolarHBondContact O-N 3.16Å
152	G	44.7	Very low	54.1	Low	46 Å²	46	113.1 Å²	113.1	47%	0.474	56%	0.555	S	S	.	*	S	Bend	trans	157	168.8	170.3	0	0	0	0	0	116.4	L150	L150-G152 VanDerWaalsContact C-N 3.28Å; L150-G152 PolarHBondContact O-N 2.89Å
153	L	46.6	Very low	53.2	Low	163 Å²	163	119 Å²	119	85%	0.853	58%	0.579	S	S	*	*	S	Bend	trans	73.8	107.4	172	-55	171.3	0	0	0	118
154	D	49.2	Very low	52.1	Low	87 Å²	87	127 Å²	127	47%	0.465	61%	0.608	S	S	.	*			trans	60.4	89.7	158.3	-65.2	-37.5	0	0	0	120.1	R156 K157	D154-R156 PolarHBondContact O-N 3.34Å; D154-K157 HydrophobicContact CB-CD 4.11Å; D154-K157 HydrophobicContact CB-CG 4.27Å; D154-K157 PolarHBondContact O-N 2.92Å; D154-K157 VanDerWaalsContact O-N 3.15Å; D154-K157 IonicContact OD2-NZ 3.87Å; D154-K157 PolarHBondContact OD2-NZ 3.05Å
155	D	54.6	Low	50.5	Low	107 Å²	107	129.8 Å²	129.8	57%	0.572	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-44.9	-35	154.8	-92.4	-70.2	0	0	0	113.7	K157 R158	D155-K157 PolarHBondContact O-N 3.34Å; D155-R158 VanDerWaalsContact O-CB 3.24Å; D155-R158 WeakPolarHBondContact O-CB 3.28Å; D155-R158 WeakPolarHBondContact O-CG 3.46Å; D155-R158 PolarHBondContact O-N 3.49Å; D155-R158 VanDerWaalsContact OD1-CD 3.27Å; D155-R158 WeakPolarHBondContact OD1-CD 3.44Å; D155-R158 IonicContact OD1-CZ 3.35Å; D155-R158 IonicContact OD1-NE 2.68Å; D155-R158 PolarHBondContact OD1-NE 3.43Å; D155-R158 IonicContact OD1-NH1 2.76Å; D155-R158 PolarHBondContact OD1-NH1 2.89Å
156	R	51.7	Low	49.1	Very low	233 Å²	233	132.2 Å²	132.2	88%	0.879	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-60.9	-19.2	-176.1	-67.1	-179.4	175.3	179.4	-1.4	113.7	D154	D154-R156 PolarHBondContact O-N 3.34Å
157	K	49.2	Very low	47.9	Very low	120 Å²	120	136.2 Å²	136.2	52%	0.522	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-82.8	-18.3	175	-70.7	168.5	-178.8	135.5	0	113.4	D154 D155 H159 S160	D154-K157 HydrophobicContact CB-CD 4.11Å; D154-K157 HydrophobicContact CB-CG 4.27Å; D154-K157 PolarHBondContact O-N 2.92Å; D154-K157 VanDerWaalsContact O-N 3.15Å; D154-K157 IonicContact OD2-NZ 3.87Å; D154-K157 PolarHBondContact OD2-NZ 3.05Å; D155-K157 PolarHBondContact O-N 3.34Å; K157-H159 PolarHBondContact O-N 2.86Å; K157-H159 VanDerWaalsContact O-N 3.13Å; K157-S160 PolarHBondContact O-N 3.49Å; K157-S160 VanDerWaalsContact O-N 3.1Å
158	R	47.7	Very low	47.3	Very low	146 Å²	146	134.5 Å²	134.5	55%	0.551	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-27.7	-174	-67.8	178.2	169.6	-178.6	-10.2	114.4	D155	D155-R158 VanDerWaalsContact O-CB 3.24Å; D155-R158 WeakPolarHBondContact O-CB 3.28Å; D155-R158 WeakPolarHBondContact O-CG 3.46Å; D155-R158 PolarHBondContact O-N 3.49Å; D155-R158 VanDerWaalsContact OD1-CD 3.27Å; D155-R158 WeakPolarHBondContact OD1-CD 3.44Å; D155-R158 IonicContact OD1-CZ 3.35Å; D155-R158 IonicContact OD1-NE 2.68Å; D155-R158 PolarHBondContact OD1-NE 3.43Å; D155-R158 IonicContact OD1-NH1 2.76Å; D155-R158 PolarHBondContact OD1-NH1 2.89Å
159	H	49.4	Very low	47	Very low	153 Å²	153	135.3 Å²	135.3	71%	0.708	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-23.2	177.4	-81.1	-93.7	0	0	0	114.9	K157	K157-H159 PolarHBondContact O-N 2.86Å; K157-H159 VanDerWaalsContact O-N 3.13Å
160	S	49.8	Very low	47.4	Very low	96 Å²	96	128.6 Å²	128.6	67%	0.671	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-37.3	-173.7	-172.3	0	0	0	0	112.8	K157 R162	K157-S160 PolarHBondContact O-N 3.49Å; K157-S160 VanDerWaalsContact O-N 3.1Å; S160-R162 VanDerWaalsContact C-N 3.32Å; S160-R162 PolarHBondContact O-N 2.9Å
161	L	47.8	Very low	48.2	Very low	112 Å²	112	122.5 Å²	122.5	59%	0.586	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-75.8	-13.5	-172.8	-71.9	165.7	0	0	0	114.7	K163 R164	L161-K163 PolarHBondContact O-N 3.05Å; L161-R164 PolarHBondContact O-N 2.95Å
162	R	44.8	Very low	49.4	Very low	209 Å²	209	119.4 Å²	119.4	79%	0.789	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-67.6	4.9	179.7	-69.2	-171.3	176	-165.4	-1.1	114.9	S160	S160-R162 VanDerWaalsContact C-N 3.32Å; S160-R162 PolarHBondContact O-N 2.9Å
163	K	43.8	Very low	51.1	Low	203 Å²	203	119.8 Å²	119.8	88%	0.883	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-107.7	4.5	179.6	-77.4	-168.5	174	-175.6	0	115.8	L161	L161-K163 PolarHBondContact O-N 3.05Å
164	R	38.5	Very low	52.9	Low	210 Å²	210	116.5 Å²	116.5	79%	0.792	56%	0.561	S	S	*	*	S	Bend	trans	-86.9	123.6	165.6	-77.9	-175.5	171.7	170.4	-1.8	109.6	L161 V166	L161-R164 PolarHBondContact O-N 2.95Å; R164-V166 PolarHBondContact O-N 3.37Å; R164-V166 VanDerWaalsContact O-N 3.13Å
165	G	29.9	Very low	54.6	Low	80 Å²	80	115.4 Å²	115.4	83%	0.825	55%	0.552	S	S	*	*			trans	-72.4	101.6	-177.8	0	0	0	0	0	112.2	Q167	G165-Q167 PolarHBondContact O-N 2.85Å
166	V	34.6	Very low	56.1	Low	102 Å²	102	116.2 Å²	116.2	62%	0.618	56%	0.564	S	S	*	*			trans	-80	82.7	177.1	-174.5	0	0	0	0	110	R164 T168	R164-V166 PolarHBondContact O-N 3.37Å; R164-V166 VanDerWaalsContact O-N 3.13Å; V166-T168 PolarHBondContact O-N 3.34Å
167	Q	36.3	Very low	57.9	Low	173 Å²	173	110.5 Å²	110.5	81%	0.808	56%	0.555	S	S	*	*			trans	-82.4	84.8	166.2	-92.8	-77.5	-18.4	0	0	109.7	G165	G165-Q167 PolarHBondContact O-N 2.85Å
168	T	46.7	Very low	59.9	Low	54 Å²	54	105.6 Å²	105.6	33%	0.331	53%	0.533	S	S	.	.			trans	-178.5	104.1	155.4	14	0	0	0	0	109.3	R139 V166 G170 Y266	R139-T168 PolarHBondContact NH2-O 3.2Å; V166-T168 PolarHBondContact O-N 3.34Å; T168-G170 PolarHBondContact O-N 3.11Å; T168-Y266 HydrophobicContact CG2-CE2 4.46Å
169	F	54.7	Low	61.9	Low	195 Å²	195	101.5 Å²	101.5	86%	0.855	53%	0.525	S	S	*	.			trans	-92.2	83.5	170.4	-68	-88.1	0	0	0	108.8
170	G	65.9	Low	63.8	Low	5 Å²	5	99.2 Å²	99.2	5%	0.052	52%	0.522	C	S	.	.	S	Bend	trans	-162.7	159.8	-174.8	0	0	0	0	0	113	R139 T168 V172 E269	R139-G170 VanDerWaalsContact CZ-O 3.31Å; R139-G170 PolarHBondContact NE-O 3.3Å; R139-G170 PolarHBondContact NH2-O 3.36Å; T168-G170 PolarHBondContact O-N 3.11Å; G170-V172 VanDerWaalsContact C-N 3.33Å; G170-V172 PolarHBondContact O-N 2.93Å; G170-E269 WeakPolarHBondContact CA-OE1 3.39Å
171	I	73.6	Confident	65.6	Low	4 Å²	4	97 Å²	97	2%	0.021	50%	0.499	C	S	.	.	S	Bend	trans	-50	-51.7	175.7	-56.1	157.8	0	0	0	110	L138 R139 I265 E269 I278	L138-I171 HydrophobicContact CB-CG2 4.38Å; L138-I171 HydrophobicContact CD1-CG1 4.21Å; L138-I171 HydrophobicContact CD2-CG1 4.36Å; L138-I171 HydrophobicContact CD2-CG2 4.1Å; L138-I171 VanDerWaalsContact O-O 3.05Å; R139-I171 WeakPolarHBondContact CG-O 3.3Å; I171-I265 HydrophobicContact CB-CG2 4.22Å; I171-I265 HydrophobicContact CD1-CG2 4.1Å; I171-I265 HydrophobicContact CG2-CG2 4.25Å; I171-E269 HydrophobicContact CD1-CG 4.38Å; I171-E269 WeakPolarHBondContact CG1-OE1 3.35Å; I171-E269 PolarHBondContact N-OE1 2.93Å; I171-E269 PolarHBondContact N-OE2 3.35Å; I171-I278 HydrophobicContact CD1-CD1 4.36Å
172	V	78	Confident	67.4	Low	10 Å²	10	101 Å²	101	6%	0.061	51%	0.507	C	S	.	.	S	Bend	trans	-112.3	126.6	-170.7	-178.7	0	0	0	0	112	G170 W178 E262 I265 E269	G170-V172 VanDerWaalsContact C-N 3.33Å; G170-V172 PolarHBondContact O-N 2.93Å; V172-W178 HydrophobicContact CG1-CH2 3.7Å; V172-W178 HydrophobicContact CG1-CZ3 4.37Å; V172-E262 HydrophobicContact CG1-CB 3.93Å; V172-E262 HydrophobicContact CG1-CG 4.24Å; V172-I265 HydrophobicContact CB-CG2 4.42Å; V172-I265 HydrophobicContact CG2-CB 3.91Å; V172-I265 HydrophobicContact CG2-CD1 4.47Å; V172-I265 HydrophobicContact CG2-CG2 3.58Å; V172-E269 PolarHBondContact N-OE2 3.34Å
173	A	79.8	Confident	69.3	Low	53 Å²	53	96.9 Å²	96.9	44%	0.438	51%	0.505	S	S	.	.			trans	-79.3	126.2	171.2	0	0	0	0	0	110.6	K175	A173-K175 PolarHBondContact O-N 2.96Å; A173-K175 VanDerWaalsContact O-N 3.13Å
174	R	84.6	Confident	71.5	Confident	95 Å²	95	87.6 Å²	87.6	36%	0.358	47%	0.465	S	S	.	.			trans	-61.6	115.1	179.7	173.8	166	179	-83.3	-10.2	111.8	W178 P179 Y266	R174-W178 HydrophobicContact CB-CE3 4.36Å; R174-W178 HydrophobicContact CB-CZ3 4.29Å; R174-W178 HydrophobicContact CG-CE3 3.91Å; R174-W178 HydrophobicContact CG-CZ3 4.35Å; R174-W178 PolarHBondContact NH2-O 2.84Å; R174-P179 PolarHBondContact NH2-O 3.31Å; R174-Y266 HydrophobicContact CB-CD2 4.19Å; R174-Y266 HydrophobicContact CB-CE1 4.2Å; R174-Y266 HydrophobicContact CB-CE2 3.76Å; R174-Y266 HydrophobicContact CG-CE1 4.29Å
175	K	86.4	Confident	73.9	Confident	63 Å²	63	77.7 Å²	77.7	27%	0.274	43%	0.429	S	S	.	.			trans	-65.4	144.2	172	-69.9	173.7	171.8	154.6	0	111	A173 T177 W178 D259 E262	A173-K175 PolarHBondContact O-N 2.96Å; A173-K175 VanDerWaalsContact O-N 3.13Å; K175-T177 PolarHBondContact O-N 3.1Å; K175-W178 HydrophobicContact CB-CD2 4Å; K175-W178 HydrophobicContact CB-CG 4.24Å; K175-W178 HydrophobicContact CB-CZ2 4.03Å; K175-W178 HydrophobicContact CD-CZ2 3.77Å; K175-W178 HydrophobicContact CG-CZ2 3.93Å; K175-W178 PolarHBondContact O-N 3.36Å; K175-D259 IonicContact NZ-OD1 3.3Å; K175-D259 PolarHBondContact NZ-OD1 3.41Å; K175-E262 WeakPolarHBondContact CE-OE2 3.45Å; K175-E262 IonicContact NZ-OE1 2.62Å; K175-E262 PolarHBondContact NZ-OE1 3.44Å; K175-E262 IonicContact NZ-OE2 3.75Å; K175-E262 PolarHBondContact NZ-OE2 3.15Å
176	P	86	Confident	76.8	Confident	125 Å²	125	74 Å²	74	81%	0.812	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.1	-177.7	30.2	-36.2	0	0	0	113.5	W178	P176-W178 VanDerWaalsContact C-N 3.34Å
177	T	89.1	Confident	79.5	Confident	113 Å²	113	74 Å²	74	69%	0.693	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.4	176.8	44.9	0	0	0	0	113.6	K175	K175-T177 PolarHBondContact O-N 3.1Å
178	W	90.8	Very high	82.2	Confident	16 Å²	16	66.3 Å²	66.3	6%	0.061	34%	0.344	C	S	.	.	S	Bend	trans	-75.4	152.4	-176	-61.7	-12.9	0	0	0	112.5	V172 R174 K175 P176 D259 E262 M263 Y266	V172-W178 HydrophobicContact CG1-CH2 3.7Å; V172-W178 HydrophobicContact CG1-CZ3 4.37Å; R174-W178 HydrophobicContact CB-CE3 4.36Å; R174-W178 HydrophobicContact CB-CZ3 4.29Å; R174-W178 HydrophobicContact CG-CE3 3.91Å; R174-W178 HydrophobicContact CG-CZ3 4.35Å; R174-W178 PolarHBondContact NH2-O 2.84Å; K175-W178 HydrophobicContact CB-CD2 4Å; K175-W178 HydrophobicContact CB-CG 4.24Å; K175-W178 HydrophobicContact CB-CZ2 4.03Å; K175-W178 HydrophobicContact CD-CZ2 3.77Å; K175-W178 HydrophobicContact CG-CZ2 3.93Å; K175-W178 PolarHBondContact O-N 3.36Å; P176-W178 VanDerWaalsContact C-N 3.34Å; W178-D259 PolarHBondContact NE1-OD2 2.98Å; W178-E262 HydrophobicContact CH2-CB 3.72Å; W178-E262 HydrophobicContact CZ2-CB 3.58Å; W178-M263 HydrophobicContact CB-SD 4.21Å; W178-M263 HydrophobicContact CD2-CB 4Å; W178-M263 HydrophobicContact CD2-CG 3.97Å; W178-M263 HydrophobicContact CD2-SD 4.38Å; W178-M263 HydrophobicContact CE3-CB 4.21Å; W178-M263 HydrophobicContact CE3-CG 4.08Å; W178-M263 HydrophobicContact CG-CG 4.24Å; W178-M263 HydrophobicContact CG-SD 4.03Å; W178-M263 HydrophobicContact CH2-CB 4.35Å; W178-M263 HydrophobicContact CZ2-CB 4.11Å; W178-M263 HydrophobicContact CZ3-CB 4.38Å; W178-Y266 HydrophobicContact CE3-CD1 4.41Å; W178-Y266 HydrophobicContact CZ3-CD1 4.15Å; W178-Y266 AromaticContact CZ3-CG 3.94Å; W178-Y266 HydrophobicContact CZ3-CG 3.94Å
179	P	89.9	Confident	84.4	Confident	60 Å²	60	67.2 Å²	67.2	39%	0.39	35%	0.345	S	S	.	.			trans	-49.4	157.4	172.6	-28.1	36.3	0	0	0	113.6	R174 Y181 P235 Y236	R174-P179 PolarHBondContact NH2-O 3.31Å; P179-Y181 PolarHBondContact O-N 3.14Å; P179-Y181 VanDerWaalsContact O-N 3.14Å; P179-P235 HydrophobicContact CB-CB 4.18Å; P179-P235 HydrophobicContact CB-CG 4.5Å; P179-P235 HydrophobicContact CG-CB 4.2Å; P179-P235 HydrophobicContact CG-CG 4.49Å; P179-Y236 HydrophobicContact CB-CE2 4.21Å; P179-Y236 PolarHBondContact O-OH 2.81Å
180	T	88.4	Confident	86.2	Confident	106 Å²	106	62.4 Å²	62.4	65%	0.65	33%	0.325	S	S	*	.			trans	-66.9	114.2	173.4	-56.6	0	0	0	0	109.6	R182	T180-R182 PolarHBondContact O-N 2.79Å
181	Y	87.8	Confident	87.3	Confident	49 Å²	49	64.9 Å²	64.9	19%	0.192	34%	0.338	C	S	.	.			trans	-59.4	137.7	176.6	-174.9	-99.4	0	0	0	111	P179 T184 Y236 Y266 C270	P179-Y181 PolarHBondContact O-N 3.14Å; P179-Y181 VanDerWaalsContact O-N 3.14Å; Y181-T184 HydrophobicContact CE2-CG2 3.83Å; Y181-Y236 AromaticContact CD2-CD1 3.98Å; Y181-Y236 HydrophobicContact CD2-CD1 3.98Å; Y181-Y236 AromaticContact CD2-CD2 3.75Å; Y181-Y236 HydrophobicContact CD2-CD2 3.75Å; Y181-Y236 HydrophobicContact CD2-CE1 4.03Å; Y181-Y236 AromaticContact CD2-CE2 3.83Å; Y181-Y236 HydrophobicContact CD2-CE2 3.83Å; Y181-Y236 AromaticContact CD2-CG 3.82Å; Y181-Y236 HydrophobicContact CD2-CG 3.82Å; Y181-Y236 AromaticContact CD2-CZ 3.96Å; Y181-Y236 HydrophobicContact CE2-CD1 4.39Å; Y181-Y236 HydrophobicContact CE2-CD2 4.46Å; Y181-Y236 HydrophobicContact CE2-CG 4.18Å; Y181-Y236 HydrophobicContact CG-CE2 4.42Å; Y181-Y266 HydrophobicContact CD2-CE1 4.27Å; Y181-Y266 HydrophobicContact CG-CE1 4.2Å; Y181-C270 HydrophobicContact CD1-CB 4.29Å; Y181-C270 HydrophobicContact CE1-CB 3.53Å; Y181-C270 HydrophobicContact CE2-CB 4.08Å; Y181-C270 VanDerWaalsContact CZ-CB 3.41Å; Y181-C270 WeakPolarHBondContact OH-CB 3.25Å
182	R	86.4	Confident	87.8	Confident	196 Å²	196	70.6 Å²	70.6	74%	0.74	38%	0.376	S	S	*	.			trans	-142.2	148.2	172.6	-61	-177.9	-174.4	-88.4	3.8	106.5	T180 T184	T180-R182 PolarHBondContact O-N 2.79Å; R182-T184 PolarHBondContact O-N 2.78Å
183	T	85.2	Confident	87.9	Confident	123 Å²	123	72 Å²	72	76%	0.755	39%	0.387	S	S	*	.			trans	-48.6	108	179.9	-47	0	0	0	0	111	G185	T183-G185 PolarHBondContact O-N 2.87Å
184	T	88.1	Confident	87.4	Confident	7 Å²	7	79.3 Å²	79.3	4%	0.043	41%	0.408	C	S	.	.			trans	-67.7	-29.2	-171	59.9	0	0	0	0	112.3	Y181 R182 L186 K211	Y181-T184 HydrophobicContact CE2-CG2 3.83Å; R182-T184 PolarHBondContact O-N 2.78Å; T184-L186 WeakPolarHBondContact OG1-CB 3.37Å; T184-L186 PolarHBondContact OG1-N 3.45Å; T184-L186 VanDerWaalsContact OG1-N 3.15Å; T184-K211 PolarHBondContact O-NZ 2.68Å
185	G	89.1	Confident	86.5	Confident	3 Å²	3	79.9 Å²	79.9	3%	0.031	43%	0.425	C	S	.	.	S	Bend	trans	110.3	-4.2	-171.1	0	0	0	0	0	113.6	T183 N205	T183-G185 PolarHBondContact O-N 2.87Å; G185-N205 VanDerWaalsContact CA-CG 3.44Å; G185-N205 VanDerWaalsContact CA-ND2 3.3Å; G185-N205 WeakPolarHBondContact CA-ND2 3.36Å; G185-N205 WeakPolarHBondContact CA-OD1 3.19Å; G185-N205 WeakPolarHBondContact O-CB 3.42Å; G185-N205 PolarHBondContact O-N 3.28Å
186	L	91.6	Very high	85.8	Confident	3 Å²	3	80.6 Å²	80.6	2%	0.016	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	137.3	165.1	-176.9	66.1	0	0	0	110.1	T184 F202 Y204 Y208 V238 L268 S271	T184-L186 WeakPolarHBondContact OG1-CB 3.37Å; T184-L186 PolarHBondContact OG1-N 3.45Å; T184-L186 VanDerWaalsContact OG1-N 3.15Å; L186-F202 HydrophobicContact CD1-CB 4.08Å; L186-F202 HydrophobicContact CD1-CD1 3.85Å; L186-F202 HydrophobicContact CD1-CG 4.33Å; L186-F202 HydrophobicContact CD2-CD1 4.19Å; L186-F202 HydrophobicContact CD2-CE1 4.35Å; L186-F202 HydrophobicContact CG-CD1 3.94Å; L186-F202 HydrophobicContact CG-CE1 4.46Å; L186-Y204 HydrophobicContact CD1-CD1 3.72Å; L186-Y204 HydrophobicContact CD1-CE1 3.73Å; L186-Y208 HydrophobicContact CB-CD2 4.1Å; L186-Y208 HydrophobicContact CB-CE2 4.09Å; L186-V238 HydrophobicContact CD2-CG2 3.93Å; L186-L268 HydrophobicContact CD2-CD2 3.98Å; L186-S271 PolarHBondContact O-OG 3.16Å
187	Y	91.9	Very high	85.5	Confident	102 Å²	102	77.7 Å²	77.7	40%	0.4	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.6	171.6	66.6	-85.8	0	0	0	110.3	E189 F202 K203 N205	Y187-E189 HydrophobicContact CE2-CB 4.39Å; Y187-F202 CarbonylContact O-C 3.54Å; Y187-F202 WeakPolarHBondContact O-CA 3.48Å; Y187-K203 WeakPolarHBondContact CD1-O 3.22Å; Y187-K203 HydrophobicContact CD2-CB 4.47Å; Y187-K203 HydrophobicContact CE1-CB 3.9Å; Y187-K203 HydrophobicContact CE2-CB 3.83Å; Y187-K203 HydrophobicContact CE2-CG 4.36Å; Y187-K203 PolarHBondContact N-O 3.08Å; Y187-K203 VanDerWaalsContact N-O 3.1Å; Y187-K203 PolarHBondContact O-N 3.09Å; Y187-N205 HydrophobicContact CE1-CB 4.38Å
188	M	92.7	Very high	85.3	Confident	10 Å²	10	75.7 Å²	75.7	5%	0.049	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.3	173.7	-179.6	-172.6	-78.3	0	0	110.6	F200 A201 F202 S271 F272 H273 F276	M188-F200 HydrophobicContact CG-CB 3.99Å; M188-F200 HydrophobicContact CG-CD1 4.17Å; M188-F200 HydrophobicContact CG-CG 4.46Å; M188-F200 HydrophobicContact SD-CB 3.84Å; M188-F200 HydrophobicContact SD-CD1 3.9Å; M188-F200 HydrophobicContact SD-CG 3.99Å; M188-A201 CarbonylContact C-O 3.59Å; M188-A201 WeakPolarHBondContact CA-O 3.41Å; M188-F202 HydrophobicContact CB-CD1 4.21Å; M188-F202 HydrophobicContact CB-CE1 4.31Å; M188-F202 HydrophobicContact CE-CD2 4.16Å; M188-F202 HydrophobicContact CE-CE1 4.03Å; M188-F202 HydrophobicContact CE-CE2 3.57Å; M188-F202 HydrophobicContact CE-CZ 3.51Å; M188-S271 WeakPolarHBondContact CB-O 3.3Å; M188-S271 PolarHBondContact N-O 3.25Å; M188-F272 HydrophobicContact CE-CD1 3.84Å; M188-F272 HydrophobicContact CE-CE1 4.45Å; M188-H273 HydrophobicContact CB-CB 4.27Å; M188-H273 HydrophobicContact CG-CB 4Å; M188-H273 HydrophobicContact SD-CB 3.89Å; M188-H273 PolarHBondContact SD-N 3.42Å; M188-H273 VanDerWaalsContact SD-N 3.43Å; M188-F276 HydrophobicContact CE-CD1 3.93Å; M188-F276 HydrophobicContact CE-CD2 4.04Å; M188-F276 HydrophobicContact CE-CE1 3.99Å; M188-F276 HydrophobicContact CE-CE2 4.09Å; M188-F276 HydrophobicContact CE-CG 3.95Å; M188-F276 HydrophobicContact CE-CZ 4.05Å; M188-F276 HydrophobicContact SD-CB 3.64Å; M188-F276 HydrophobicContact SD-CD1 4.02Å; M188-F276 HydrophobicContact SD-CD2 3.81Å; M188-F276 HydrophobicContact SD-CE2 4.44Å; M188-F276 HydrophobicContact SD-CG 3.55Å; M188-F276 VanDerWaalsContact SD-CG 3.55Å
189	E	92.6	Very high	85.2	Confident	74 Å²	74	78.6 Å²	78.6	35%	0.346	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153.3	172.3	62.7	-169.8	-159.6	0	0	110.8	Y187 F200 A201 K203	Y187-E189 HydrophobicContact CE2-CB 4.39Å; E189-F200 WeakPolarHBondContact O-CA 3.17Å; E189-A201 PolarHBondContact N-O 3.46Å; E189-A201 PolarHBondContact O-N 2.92Å; E189-K203 VanDerWaalsContact CD-CG 3.41Å; E189-K203 HydrophobicContact CG-CG 3.97Å; E189-K203 WeakPolarHBondContact OE1-CE 3.29Å; E189-K203 VanDerWaalsContact OE1-CG 3.32Å; E189-K203 WeakPolarHBondContact OE1-CG 3.33Å
190	Q	91.5	Very high	85.2	Confident	94 Å²	94	75.9 Å²	75.9	44%	0.439	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.7	172.9	-169.8	177.6	-20.8	0	0	109.4	Q199 F200	Q190-Q199 WeakPolarHBondContact CG-O 3.44Å; Q190-F200 HydrophobicContact CB-CD1 3.87Å; Q190-F200 HydrophobicContact CB-CE1 3.69Å; Q190-F200 HydrophobicContact CG-CD1 4.09Å; Q190-F200 HydrophobicContact CG-CE1 3.74Å; Q190-F200 HydrophobicContact CG-CZ 4.17Å
191	V	89.5	Confident	85.4	Confident	56 Å²	56	71 Å²	71	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.5	179.2	-178.9	0	0	0	0	109	S193 Q199 A201	V191-S193 PolarHBondContact O-N 3.29Å; V191-Q199 HydrophobicContact CB-CB 4.21Å; V191-Q199 PolarHBondContact N-O 3.49Å; V191-A201 HydrophobicContact CG2-CB 3.74Å
192	P	84.8	Confident	85.6	Confident	124 Å²	124	68.7 Å²	68.7	81%	0.805	37%	0.367	S	S	*	.			trans	-62.7	108.4	175	-22.3	34	0	0	0	111.6
193	S	79.1	Confident	85.8	Confident	41 Å²	41	61.6 Å²	61.6	29%	0.287	34%	0.342	S	S	.	.			trans	-93.2	150.2	175.9	-163.1	0	0	0	0	112.4	V191 C195 L197 Q199	V191-S193 PolarHBondContact O-N 3.29Å; S193-C195 PolarHBondContact OG-N 3.06Å; S193-L197 WeakPolarHBondContact CB-O 3.15Å; S193-L197 PolarHBondContact OG-O 2.91Å; S193-Q199 VanDerWaalsContact OG-CD 3.31Å; S193-Q199 PolarHBondContact OG-OE1 3.27Å
194	K	70.3	Confident	86.2	Confident	206 Å²	206	57.5 Å²	57.5	90%	0.896	31%	0.313	S	S	*	.	S	Bend	trans	-88.9	-22.4	173.6	-60.8	178.6	-175.6	173.7	0	113.1
195	C	64.7	Low	86.4	Confident	106 Å²	106	60.3 Å²	60.3	72%	0.716	33%	0.328	S	S	*	.	S	Bend	trans	-107.8	26.1	-160.6	-55.5	0	0	0	0	114.2	S193 L197	S193-C195 PolarHBondContact OG-N 3.06Å; C195-L197 PolarHBondContact O-N 3.22Å
196	G	72.8	Confident	86.5	Confident	78 Å²	78	69 Å²	69	80%	0.804	37%	0.365	S	S	*	.	S	Bend	trans	73.4	-33.6	178.8	0	0	0	0	0	115.7
197	L	78.8	Confident	86.5	Confident	65 Å²	65	71.4 Å²	71.4	34%	0.34	39%	0.385	S	S	.	.	S	Bend	trans	-63.9	150.2	172.6	-64	173.3	0	0	0	111.8	S193 C195 Q199 R284	S193-L197 WeakPolarHBondContact CB-O 3.15Å; S193-L197 PolarHBondContact OG-O 2.91Å; C195-L197 PolarHBondContact O-N 3.22Å; L197-Q199 PolarHBondContact O-N 3.31Å; L197-R284 HydrophobicContact CB-CG 4.32Å; L197-R284 HydrophobicContact CD1-CG 3.98Å
198	K	86	Confident	86.6	Confident	70 Å²	70	66.5 Å²	66.5	30%	0.304	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	102.7	179.8	-60.1	171	-173.3	160.5	0	109.9	F200 D282 C283 R284	K198-F200 HydrophobicContact CB-CD2 4.28Å; K198-F200 HydrophobicContact CB-CE2 3.44Å; K198-F200 VanDerWaalsContact CB-CE2 3.44Å; K198-F200 HydrophobicContact CB-CZ 3.95Å; K198-F200 HydrophobicContact CD-CE2 4.37Å; K198-F200 HydrophobicContact CD-CZ 4.34Å; K198-F200 VanDerWaalsContact O-CD2 3.29Å; K198-F200 WeakPolarHBondContact O-CD2 3.43Å; K198-F200 WeakPolarHBondContact O-CE2 3.11Å; K198-D282 WeakPolarHBondContact CD-OD2 3.27Å; K198-D282 VanDerWaalsContact CE-OD2 3.25Å; K198-D282 WeakPolarHBondContact CE-OD2 3.37Å; K198-D282 PolarHBondContact N-O 3.15Å; K198-D282 IonicContact NZ-OD2 2.64Å; K198-D282 PolarHBondContact NZ-OD2 3.29Å; K198-C283 CarbonylContact O-C 3.6Å; K198-C283 WeakPolarHBondContact O-CA 3.39Å; K198-R284 PolarHBondContact O-N 3.19Å
199	Q	88.2	Confident	86.5	Confident	77 Å²	77	69 Å²	69	36%	0.36	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.8	170.9	-75	172.3	-48.1	0	0	110.9	Q190 V191 S193 L197 R284	Q190-Q199 WeakPolarHBondContact CG-O 3.44Å; V191-Q199 HydrophobicContact CB-CB 4.21Å; V191-Q199 PolarHBondContact N-O 3.49Å; S193-Q199 VanDerWaalsContact OG-CD 3.31Å; S193-Q199 PolarHBondContact OG-OE1 3.27Å; L197-Q199 PolarHBondContact O-N 3.31Å; Q199-R284 WeakPolarHBondContact CA-O 3.38Å; Q199-R284 HydrophobicContact CG-CB 4.13Å
200	F	91	Very high	86.4	Confident	3 Å²	3	74.5 Å²	74.5	1%	0.013	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.9	176.6	-65	-89.1	0	0	0	110.8	M188 E189 Q190 K198 H273 C275 F276 C283 R284 L285	M188-F200 HydrophobicContact CG-CB 3.99Å; M188-F200 HydrophobicContact CG-CD1 4.17Å; M188-F200 HydrophobicContact CG-CG 4.46Å; M188-F200 HydrophobicContact SD-CB 3.84Å; M188-F200 HydrophobicContact SD-CD1 3.9Å; M188-F200 HydrophobicContact SD-CG 3.99Å; E189-F200 WeakPolarHBondContact O-CA 3.17Å; Q190-F200 HydrophobicContact CB-CD1 3.87Å; Q190-F200 HydrophobicContact CB-CE1 3.69Å; Q190-F200 HydrophobicContact CG-CD1 4.09Å; Q190-F200 HydrophobicContact CG-CE1 3.74Å; Q190-F200 HydrophobicContact CG-CZ 4.17Å; K198-F200 HydrophobicContact CB-CD2 4.28Å; K198-F200 HydrophobicContact CB-CE2 3.44Å; K198-F200 VanDerWaalsContact CB-CE2 3.44Å; K198-F200 HydrophobicContact CB-CZ 3.95Å; K198-F200 HydrophobicContact CD-CE2 4.37Å; K198-F200 HydrophobicContact CD-CZ 4.34Å; K198-F200 VanDerWaalsContact O-CD2 3.29Å; K198-F200 WeakPolarHBondContact O-CD2 3.43Å; K198-F200 WeakPolarHBondContact O-CE2 3.11Å; F200-H273 HydrophobicContact CD1-CB 3.97Å; F200-H273 HydrophobicContact CE1-CB 3.85Å; F200-H273 AromaticContact CE1-CG 3.94Å; F200-H273 AromaticContact CE1-ND1 3.61Å; F200-C275 HydrophobicContact CE1-CB 4.47Å; F200-C275 HydrophobicContact CZ-CB 4.16Å; F200-F276 HydrophobicContact CB-CD2 4.35Å; F200-F276 HydrophobicContact CD1-CB 4.35Å; F200-F276 HydrophobicContact CD2-CB 4.43Å; F200-F276 AromaticContact CD2-CD2 3.56Å; F200-F276 HydrophobicContact CD2-CD2 3.56Å; F200-F276 HydrophobicContact CD2-CE2 4.36Å; F200-F276 HydrophobicContact CD2-CG 4.47Å; F200-F276 HydrophobicContact CE1-CB 4.14Å; F200-F276 HydrophobicContact CE2-CB 4.18Å; F200-F276 AromaticContact CE2-CD2 3.9Å; F200-F276 HydrophobicContact CE2-CD2 3.9Å; F200-F276 HydrophobicContact CG-CB 4.49Å; F200-F276 AromaticContact CG-CD2 3.93Å; F200-F276 HydrophobicContact CG-CD2 3.93Å; F200-F276 HydrophobicContact CZ-CB 4.04Å; F200-C283 HydrophobicContact CD2-CB 4.32Å; F200-C283 HydrophobicContact CE2-CB 4.11Å; F200-R284 PolarHBondContact N-O 2.86Å; F200-L285 HydrophobicContact CB-CD1 4.4Å
201	A	91.1	Very high	86.5	Confident	4 Å²	4	71.7 Å²	71.7	3%	0.033	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	141.4	168.5	0	0	0	0	0	110.8	M188 E189 V191 N292	M188-A201 CarbonylContact C-O 3.59Å; M188-A201 WeakPolarHBondContact CA-O 3.41Å; E189-A201 PolarHBondContact N-O 3.46Å; E189-A201 PolarHBondContact O-N 2.92Å; V191-A201 HydrophobicContact CG2-CB 3.74Å; A201-N292 WeakPolarHBondContact CA-OD1 3.3Å
202	F	92.2	Very high	86.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	149.7	161	-74.2	-81	0	0	0	110.2	L186 Y187 M188 L268 F272 L285 E291 N292	L186-F202 HydrophobicContact CD1-CB 4.08Å; L186-F202 HydrophobicContact CD1-CD1 3.85Å; L186-F202 HydrophobicContact CD1-CG 4.33Å; L186-F202 HydrophobicContact CD2-CD1 4.19Å; L186-F202 HydrophobicContact CD2-CE1 4.35Å; L186-F202 HydrophobicContact CG-CD1 3.94Å; L186-F202 HydrophobicContact CG-CE1 4.46Å; Y187-F202 CarbonylContact O-C 3.54Å; Y187-F202 WeakPolarHBondContact O-CA 3.48Å; M188-F202 HydrophobicContact CB-CD1 4.21Å; M188-F202 HydrophobicContact CB-CE1 4.31Å; M188-F202 HydrophobicContact CE-CD2 4.16Å; M188-F202 HydrophobicContact CE-CE1 4.03Å; M188-F202 HydrophobicContact CE-CE2 3.57Å; M188-F202 HydrophobicContact CE-CZ 3.51Å; F202-L268 HydrophobicContact CD1-CD2 4.47Å; F202-L268 HydrophobicContact CE1-CD2 3.86Å; F202-L268 HydrophobicContact CE2-CD2 4.07Å; F202-L268 HydrophobicContact CZ-CB 4.28Å; F202-L268 HydrophobicContact CZ-CD2 3.62Å; F202-F272 HydrophobicContact CE1-CD1 4.46Å; F202-F272 AromaticContact CZ-CD1 3.96Å; F202-F272 HydrophobicContact CZ-CD1 3.96Å; F202-F272 HydrophobicContact CZ-CE1 4Å; F202-L285 HydrophobicContact CD2-CD1 4.32Å; F202-L285 HydrophobicContact CE2-CD2 4.42Å; F202-E291 HydrophobicContact CB-CB 3.77Å; F202-E291 WeakPolarHBondContact CB-O 3.46Å; F202-E291 VanDerWaalsContact O-CB 3.3Å; F202-E291 WeakPolarHBondContact O-CB 3.43Å; F202-N292 PolarHBondContact N-OD1 3.48Å
203	K	91.5	Very high	86.6	Confident	47 Å²	47	67 Å²	67	20%	0.204	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.6	174.3	-63.5	-62.1	158.6	-138.5	0	111.3	Y187 E189 E291	Y187-K203 WeakPolarHBondContact CD1-O 3.22Å; Y187-K203 HydrophobicContact CD2-CB 4.47Å; Y187-K203 HydrophobicContact CE1-CB 3.9Å; Y187-K203 HydrophobicContact CE2-CB 3.83Å; Y187-K203 HydrophobicContact CE2-CG 4.36Å; Y187-K203 PolarHBondContact N-O 3.08Å; Y187-K203 VanDerWaalsContact N-O 3.1Å; Y187-K203 PolarHBondContact O-N 3.09Å; E189-K203 VanDerWaalsContact CD-CG 3.41Å; E189-K203 HydrophobicContact CG-CG 3.97Å; E189-K203 WeakPolarHBondContact OE1-CE 3.29Å; E189-K203 VanDerWaalsContact OE1-CG 3.32Å; E189-K203 WeakPolarHBondContact OE1-CG 3.33Å; K203-E291 IonicContact NZ-OE1 3.73Å; K203-E291 IonicContact NZ-OE2 3.94Å
204	Y	92.2	Very high	87.1	Confident	38 Å²	38	67.2 Å²	67.2	15%	0.149	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.2	175.7	-53.8	-28.1	0	0	0	110.7	L186 Y208 E212 Y290 E291 Q294	L186-Y204 HydrophobicContact CD1-CD1 3.72Å; L186-Y204 HydrophobicContact CD1-CE1 3.73Å; Y204-Y208 AromaticContact CD1-CD1 3.39Å; Y204-Y208 HydrophobicContact CD1-CD1 3.39Å; Y204-Y208 AromaticContact CD1-CE1 3.67Å; Y204-Y208 HydrophobicContact CD1-CE1 3.67Å; Y204-Y208 HydrophobicContact CD1-CG 4.2Å; Y204-Y208 HydrophobicContact CD2-CD1 4.14Å; Y204-Y208 AromaticContact CE1-CD1 3.87Å; Y204-Y208 HydrophobicContact CE1-CD1 3.87Å; Y204-Y208 AromaticContact CE1-CE1 3.62Å; Y204-Y208 HydrophobicContact CE1-CE1 3.62Å; Y204-Y208 HydrophobicContact CE2-CE1 4.5Å; Y204-Y208 AromaticContact CG-CD1 3.57Å; Y204-Y208 HydrophobicContact CG-CD1 3.57Å; Y204-Y208 HydrophobicContact CG-CE1 4.17Å; Y204-Y208 HydrophobicContact CG-CG 4.42Å; Y204-E212 HydrophobicContact CE2-CB 4.46Å; Y204-E212 HydrophobicContact CE2-CG 3.99Å; Y204-Y290 AromaticContact CE2-CD1 3.95Å; Y204-Y290 HydrophobicContact CE2-CD1 3.95Å; Y204-Y290 HydrophobicContact CE2-CE1 4.03Å; Y204-Y290 WeakPolarHBondContact OH-CD1 3.3Å; Y204-Y290 WeakPolarHBondContact OH-CE1 3.33Å; Y204-E291 HydrophobicContact CD1-CG 4.04Å; Y204-E291 HydrophobicContact CD2-CG 4.07Å; Y204-E291 HydrophobicContact CE1-CB 3.96Å; Y204-E291 HydrophobicContact CE1-CG 3.65Å; Y204-E291 HydrophobicContact CE2-CG 3.69Å; Y204-E291 HydrophobicContact CG-CG 4.22Å; Y204-E291 VanDerWaalsContact CZ-CG 3.45Å; Y204-Q294 PolarHBondContact OH-NE2 3Å
205	N	92.2	Very high	88	Confident	65 Å²	65	57.4 Å²	57.4	35%	0.348	31%	0.313	S	S	.	.			trans	-69.9	167.2	164	84.8	10.2	0	0	0	111	G185 Y187 A207 Y208 S209	G185-N205 VanDerWaalsContact CA-CG 3.44Å; G185-N205 VanDerWaalsContact CA-ND2 3.3Å; G185-N205 WeakPolarHBondContact CA-ND2 3.36Å; G185-N205 WeakPolarHBondContact CA-OD1 3.19Å; G185-N205 WeakPolarHBondContact O-CB 3.42Å; G185-N205 PolarHBondContact O-N 3.28Å; Y187-N205 HydrophobicContact CE1-CB 4.38Å; N205-A207 PolarHBondContact O-N 3.08Å; N205-A207 WeakPolarHBondContact OD1-CA 3.46Å; N205-A207 WeakPolarHBondContact OD1-CB 3.29Å; N205-A207 PolarHBondContact OD1-N 2.89Å; N205-Y208 PolarHBondContact O-N 3.48Å; N205-Y208 PolarHBondContact OD1-N 2.83Å; N205-S209 PolarHBondContact O-N 2.79Å
206	K	92.7	Very high	89	Confident	186 Å²	186	53.1 Å²	53.1	81%	0.809	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17	-178.1	-62.9	-174.1	-179.8	-176.7	0	114.8	R210	K206-R210 WeakPolarHBondContact O-CD 3.25Å; K206-R210 VanDerWaalsContact O-CG 3.3Å; K206-R210 WeakPolarHBondContact O-CG 3.49Å
207	A	92	Very high	89.4	Confident	53 Å²	53	52.6 Å²	52.6	44%	0.438	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-39.1	174.5	0	0	0	0	0	111.8	N205 K211	N205-A207 PolarHBondContact O-N 3.08Å; N205-A207 WeakPolarHBondContact OD1-CA 3.46Å; N205-A207 WeakPolarHBondContact OD1-CB 3.29Å; N205-A207 PolarHBondContact OD1-N 2.89Å; A207-K211 WeakPolarHBondContact O-CG 3.47Å; A207-K211 PolarHBondContact O-N 3.43Å
208	Y	92.8	Very high	89.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.7	-44.1	174.6	-164.7	-75.4	0	0	0	111.5	L186 Y204 N205 R210 K211 E212 H237 V238	L186-Y208 HydrophobicContact CB-CD2 4.1Å; L186-Y208 HydrophobicContact CB-CE2 4.09Å; Y204-Y208 AromaticContact CD1-CD1 3.39Å; Y204-Y208 HydrophobicContact CD1-CD1 3.39Å; Y204-Y208 AromaticContact CD1-CE1 3.67Å; Y204-Y208 HydrophobicContact CD1-CE1 3.67Å; Y204-Y208 HydrophobicContact CD1-CG 4.2Å; Y204-Y208 HydrophobicContact CD2-CD1 4.14Å; Y204-Y208 AromaticContact CE1-CD1 3.87Å; Y204-Y208 HydrophobicContact CE1-CD1 3.87Å; Y204-Y208 AromaticContact CE1-CE1 3.62Å; Y204-Y208 HydrophobicContact CE1-CE1 3.62Å; Y204-Y208 HydrophobicContact CE2-CE1 4.5Å; Y204-Y208 AromaticContact CG-CD1 3.57Å; Y204-Y208 HydrophobicContact CG-CD1 3.57Å; Y204-Y208 HydrophobicContact CG-CE1 4.17Å; Y204-Y208 HydrophobicContact CG-CG 4.42Å; N205-Y208 PolarHBondContact O-N 3.48Å; N205-Y208 PolarHBondContact OD1-N 2.83Å; Y208-R210 PolarHBondContact O-N 3.47Å; Y208-R210 VanDerWaalsContact O-N 3.15Å; Y208-K211 WeakPolarHBondContact O-CA 3.4Å; Y208-K211 WeakPolarHBondContact O-CB 3.26Å; Y208-K211 PolarHBondContact O-N 2.95Å; Y208-E212 HydrophobicContact CE1-CB 4.49Å; Y208-E212 PolarHBondContact O-N 2.85Å; Y208-H237 AromaticContact CE1-CD2 3.82Å; Y208-H237 AromaticContact CE1-NE2 3.72Å; Y208-H237 AromaticContact CE2-CD2 3.83Å; Y208-H237 AromaticContact CZ-CD2 3.46Å; Y208-H237 VanDerWaalsContact CZ-CD2 3.46Å; Y208-H237 AromaticContact CZ-NE2 3.8Å; Y208-V238 PolarHBondContact OH-N 3.18Å
209	S	90.4	Very high	89.2	Confident	61 Å²	61	49.7 Å²	49.7	43%	0.427	25%	0.248	S	C	.	.	H	α-helix	trans	-55.8	-33.1	175.9	163.7	0	0	0	0	113.2	N205 S213	N205-S209 PolarHBondContact O-N 2.79Å; S209-S213 WeakPolarHBondContact O-CB 3.42Å; S209-S213 PolarHBondContact O-N 3.4Å
210	R	91.8	Very high	88.3	Confident	191 Å²	191	52 Å²	52	72%	0.721	25%	0.253	S	S	*	.	H	α-helix	trans	-69.5	-35.6	172	-73.6	172	-180	-179	-1.5	113.3	K206 Y208 E214	K206-R210 WeakPolarHBondContact O-CD 3.25Å; K206-R210 VanDerWaalsContact O-CG 3.3Å; K206-R210 WeakPolarHBondContact O-CG 3.49Å; Y208-R210 PolarHBondContact O-N 3.47Å; Y208-R210 VanDerWaalsContact O-N 3.15Å; R210-E214 WeakPolarHBondContact O-CB 3.26Å; R210-E214 PolarHBondContact O-N 2.75Å
211	K	92.2	Very high	87.3	Confident	35 Å²	35	55.7 Å²	55.7	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-69.5	-41.5	174.8	-61.1	171.4	-175.7	172	0	111	T184 A207 Y208 E214 F215 F230 H234	T184-K211 PolarHBondContact O-NZ 2.68Å; A207-K211 WeakPolarHBondContact O-CG 3.47Å; A207-K211 PolarHBondContact O-N 3.43Å; Y208-K211 WeakPolarHBondContact O-CA 3.4Å; Y208-K211 WeakPolarHBondContact O-CB 3.26Å; Y208-K211 PolarHBondContact O-N 2.95Å; K211-E214 PolarHBondContact O-N 3.05Å; K211-F215 VanDerWaalsContact O-CB 3.29Å; K211-F215 WeakPolarHBondContact O-CB 3.22Å; K211-F215 PolarHBondContact O-N 3.14Å; K211-F230 HydrophobicContact CB-CZ 4.34Å; K211-F230 WeakPolarHBondContact O-CZ 3.21Å; K211-H234 HydrophobicContact CD-CB 4.26Å
212	E	89.9	Confident	86.2	Confident	8 Å²	8	57 Å²	57	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-45.8	176.1	-171.7	68.6	-150.8	0	0	110.3	Y204 Y208 E214 F215 L216 H237 N239 Y290	Y204-E212 HydrophobicContact CE2-CB 4.46Å; Y204-E212 HydrophobicContact CE2-CG 3.99Å; Y208-E212 HydrophobicContact CE1-CB 4.49Å; Y208-E212 PolarHBondContact O-N 2.85Å; E212-E214 PolarHBondContact O-N 3.29Å; E212-F215 WeakPolarHBondContact O-CB 3.44Å; E212-F215 PolarHBondContact O-N 3.49Å; E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 2.92Å; E212-H237 PolarHBondContact N-NE2 3.32Å; E212-H237 IonicContact OE2-CE1 2.66Å; E212-H237 PolarHBondContact OE2-CE1 3.16Å; E212-H237 IonicContact OE2-NE2 3.99Å; E212-H237 PolarHBondContact OE2-NE2 3.35Å; E212-N239 PolarHBondContact OE1-ND2 2.95Å; E212-Y290 HydrophobicContact CG-CE1 4.19Å; E212-Y290 WeakPolarHBondContact OE1-CE1 3.21Å; E212-Y290 PolarHBondContact OE1-OH 3.4Å
213	S	87.5	Confident	85.5	Confident	74 Å²	74	61 Å²	61	52%	0.517	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-42.3	173.4	179.4	0	0	0	0	112.7	S209 L216 T217	S209-S213 WeakPolarHBondContact O-CB 3.42Å; S209-S213 PolarHBondContact O-N 3.4Å; S213-L216 PolarHBondContact O-N 2.94Å; S213-T217 PolarHBondContact O-N 2.84Å
214	E	89.4	Confident	85.1	Confident	44 Å²	44	59.2 Å²	59.2	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-47.9	172.6	-178.8	-179.7	-174.2	0	0	110.8	R210 K211 E212 L216 T217 Y218 F230 K233 H234	R210-E214 WeakPolarHBondContact O-CB 3.26Å; R210-E214 PolarHBondContact O-N 2.75Å; K211-E214 PolarHBondContact O-N 3.05Å; E212-E214 PolarHBondContact O-N 3.29Å; E214-L216 PolarHBondContact O-N 3.15Å; E214-T217 PolarHBondContact O-N 3.41Å; E214-T217 PolarHBondContact O-OG1 3Å; E214-Y218 HydrophobicContact CG-CD2 4.11Å; E214-Y218 HydrophobicContact CG-CE2 3.79Å; E214-Y218 WeakPolarHBondContact O-CD2 3.36Å; E214-Y218 PolarHBondContact O-N 3.4Å; E214-F230 HydrophobicContact CB-CE2 4.02Å; E214-F230 HydrophobicContact CG-CD2 4.12Å; E214-F230 HydrophobicContact CG-CE2 3.78Å; E214-K233 IonicContact OE1-NZ 3.85Å; E214-K233 PolarHBondContact OE1-NZ 2.96Å; E214-K233 IonicContact OE2-NZ 2.6Å; E214-K233 PolarHBondContact OE2-NZ 3.35Å; E214-H234 IonicContact OE1-NE2 3.68Å; E214-H234 PolarHBondContact OE1-NE2 3.5Å; E214-H234 IonicContact OE2-CD2 3.83Å; E214-H234 IonicContact OE2-NE2 2.74Å; E214-H234 PolarHBondContact OE2-NE2 2.84Å
215	F	89.1	Confident	84.7	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-44.5	178.3	166.4	-110.9	0	0	0	113	K211 E212 T217 Y218 I219 L227 F230 H237 N239 S240 Q243 F531	K211-F215 VanDerWaalsContact O-CB 3.29Å; K211-F215 WeakPolarHBondContact O-CB 3.22Å; K211-F215 PolarHBondContact O-N 3.14Å; E212-F215 WeakPolarHBondContact O-CB 3.44Å; E212-F215 PolarHBondContact O-N 3.49Å; F215-T217 PolarHBondContact O-N 3.38Å; F215-Y218 WeakPolarHBondContact O-CB 3.36Å; F215-Y218 PolarHBondContact O-N 2.84Å; F215-I219 HydrophobicContact CD1-CD1 3.63Å; F215-I219 HydrophobicContact CD2-CD1 4.14Å; F215-I219 HydrophobicContact CD2-CG1 4.26Å; F215-I219 HydrophobicContact CE1-CD1 3.18Å; F215-I219 HydrophobicContact CE1-CG1 4.17Å; F215-I219 HydrophobicContact CE2-CD1 3.76Å; F215-I219 HydrophobicContact CE2-CG1 3.83Å; F215-I219 HydrophobicContact CG-CD1 4.09Å; F215-I219 HydrophobicContact CZ-CD1 3.28Å; F215-I219 HydrophobicContact CZ-CG1 3.81Å; F215-I219 WeakPolarHBondContact O-CG1 3.44Å; F215-I219 PolarHBondContact O-N 3.5Å; F215-I219 VanDerWaalsContact O-N 3.07Å; F215-L227 HydrophobicContact CD2-CD2 4.19Å; F215-L227 HydrophobicContact CE2-CD2 3.99Å; F215-F230 HydrophobicContact CB-CE1 4.1Å; F215-F230 HydrophobicContact CB-CE2 3.92Å; F215-F230 HydrophobicContact CB-CZ 3.62Å; F215-F230 HydrophobicContact CD2-CE1 4.42Å; F215-H237 AromaticContact CD1-CE1 3.84Å; F215-H237 AromaticContact CG-CE1 3.74Å; F215-N239 HydrophobicContact CD1-CB 4.01Å; F215-N239 HydrophobicContact CE1-CB 3.28Å; F215-N239 VanDerWaalsContact CZ-C 3.48Å; F215-N239 HydrophobicContact CZ-CB 3.73Å; F215-S240 VanDerWaalsContact CE2-CA 3.43Å; F215-Q243 HydrophobicContact CE2-CB 4.41Å; F215-Q243 HydrophobicContact CZ-CB 4.31Å; F215-F531 HydrophobicContact CE1-CD1 4.27Å; F215-F531 HydrophobicContact CE1-CD2 4.27Å; F215-F531 HydrophobicContact CE1-CE1 4.49Å; F215-F531 HydrophobicContact CE1-CE2 4.48Å; F215-F531 HydrophobicContact CE1-CG 4.18Å; F215-F531 HydrophobicContact CZ-CD1 4.09Å; F215-F531 HydrophobicContact CZ-CG 4.26Å
216	L	84.4	Confident	84.4	Confident	17 Å²	17	65.9 Å²	65.9	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-27.8	175.2	-69.9	171.4	0	0	0	112.7	E212 S213 E214 I219 F531	E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 2.92Å; S213-L216 PolarHBondContact O-N 2.94Å; E214-L216 PolarHBondContact O-N 3.15Å; L216-I219 HydrophobicContact CD2-CD1 3.92Å; L216-F531 HydrophobicContact CD2-CE2 4.11Å; L216-F531 HydrophobicContact CD2-CZ 3.97Å
217	T	83.1	Confident	84.2	Confident	67 Å²	67	57 Å²	57	41%	0.411	29%	0.29	S	S	.	.	H	α-helix	trans	-74.8	-33.2	171.1	69.2	0	0	0	0	113.4	S213 E214 F215	S213-T217 PolarHBondContact O-N 2.84Å; E214-T217 PolarHBondContact O-N 3.41Å; E214-T217 PolarHBondContact O-OG1 3Å; F215-T217 PolarHBondContact O-N 3.38Å
218	Y	81.1	Confident	84	Confident	69 Å²	69	56.5 Å²	56.5	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-69.4	-32.8	176.1	-83.6	-79.5	0	0	0	112.9	E214 F215 R220 S221 F230	E214-Y218 HydrophobicContact CG-CD2 4.11Å; E214-Y218 HydrophobicContact CG-CE2 3.79Å; E214-Y218 WeakPolarHBondContact O-CD2 3.36Å; E214-Y218 PolarHBondContact O-N 3.4Å; F215-Y218 WeakPolarHBondContact O-CB 3.36Å; F215-Y218 PolarHBondContact O-N 2.84Å; Y218-R220 PolarHBondContact O-N 2.83Å; Y218-S221 CarbonylContact O-C 3.59Å; Y218-S221 PolarHBondContact O-N 2.77Å; Y218-F230 HydrophobicContact CD2-CB 4.4Å; Y218-F230 AromaticContact CD2-CD2 3.68Å; Y218-F230 HydrophobicContact CD2-CD2 3.68Å; Y218-F230 HydrophobicContact CD2-CE2 4.44Å; Y218-F230 HydrophobicContact CD2-CG 4.36Å; Y218-F230 HydrophobicContact CE2-CB 4.4Å; Y218-F230 AromaticContact CE2-CD2 3.72Å; Y218-F230 HydrophobicContact CE2-CD2 3.72Å
219	I	78.4	Confident	83.9	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-62.5	-29.5	-179.8	-72.3	159.2	0	0	0	112.9	F215 L216 S221 P222 Y529 F531	F215-I219 HydrophobicContact CD1-CD1 3.63Å; F215-I219 HydrophobicContact CD2-CD1 4.14Å; F215-I219 HydrophobicContact CD2-CG1 4.26Å; F215-I219 HydrophobicContact CE1-CD1 3.18Å; F215-I219 HydrophobicContact CE1-CG1 4.17Å; F215-I219 HydrophobicContact CE2-CD1 3.76Å; F215-I219 HydrophobicContact CE2-CG1 3.83Å; F215-I219 HydrophobicContact CG-CD1 4.09Å; F215-I219 HydrophobicContact CZ-CD1 3.28Å; F215-I219 HydrophobicContact CZ-CG1 3.81Å; F215-I219 WeakPolarHBondContact O-CG1 3.44Å; F215-I219 PolarHBondContact O-N 3.5Å; F215-I219 VanDerWaalsContact O-N 3.07Å; L216-I219 HydrophobicContact CD2-CD1 3.92Å; I219-S221 PolarHBondContact O-N 2.81Å; I219-S221 VanDerWaalsContact O-N 3.09Å; I219-P222 VanDerWaalsContact O-CD 3.26Å; I219-P222 WeakPolarHBondContact O-CD 3.17Å; I219-Y529 HydrophobicContact CG2-CD1 3.68Å; I219-Y529 HydrophobicContact CG2-CE1 3.19Å; I219-Y529 HydrophobicContact CG2-CE2 4.32Å; I219-Y529 HydrophobicContact CG2-CG 4.42Å; I219-F531 HydrophobicContact CD1-CD1 3.96Å; I219-F531 HydrophobicContact CD1-CE1 3.28Å; I219-F531 HydrophobicContact CD1-CE2 4.38Å; I219-F531 HydrophobicContact CD1-CZ 3.54Å; I219-F531 HydrophobicContact CG1-CE1 4.11Å; I219-F531 HydrophobicContact CG2-CE1 4.11Å
220	R	70.1	Confident	83.9	Confident	125 Å²	125	57.3 Å²	57.3	47%	0.472	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.9	-177.5	-60.1	177.4	-172.8	160.4	-1.9	113.4	Y218 N547 L552	Y218-R220 PolarHBondContact O-N 2.83Å; R220-N547 PolarHBondContact NH2-OD1 2.8Å; R220-L552 HydrophobicContact CG-CD2 4.31Å
221	S	70.1	Confident	83.9	Confident	82 Å²	82	49.2 Å²	49.2	57%	0.573	25%	0.254	S	S	*	.	S	Bend	trans	-135.1	78.2	169.9	49.1	0	0	0	0	109.5	Y218 I219 N223	Y218-S221 CarbonylContact O-C 3.59Å; Y218-S221 PolarHBondContact O-N 2.77Å; I219-S221 PolarHBondContact O-N 2.81Å; I219-S221 VanDerWaalsContact O-N 3.09Å; S221-N223 PolarHBondContact O-N 3.25Å
222	P	67.1	Low	83.9	Confident	32 Å²	32	57 Å²	57	21%	0.208	28%	0.283	C	S	.	.			trans	-74.2	88.8	-162.8	30.2	-33.7	0	0	0	111.6	I219 M247 I560	I219-P222 VanDerWaalsContact O-CD 3.26Å; I219-P222 WeakPolarHBondContact O-CD 3.17Å; P222-M247 WeakPolarHBondContact O-CE 3.16Å; P222-I560 HydrophobicContact CG-CD1 4.19Å
223	N	77.3	Confident	84	Confident	83 Å²	83	62.1 Å²	62.1	44%	0.444	31%	0.305	S	S	.	.			trans	-111	125.3	173.9	-173.1	-39.3	0	0	0	109.5	S221 R225 S226 L227	S221-N223 PolarHBondContact O-N 3.25Å; N223-R225 PolarHBondContact O-N 3.39Å; N223-R225 VanDerWaalsContact O-N 3.11Å; N223-R225 VanDerWaalsContact OD1-CB 3.26Å; N223-R225 WeakPolarHBondContact OD1-CB 3.23Å; N223-R225 PolarHBondContact OD1-N 2.71Å; N223-S226 WeakPolarHBondContact O-CB 3.12Å; N223-S226 PolarHBondContact O-N 3.12Å; N223-L227 PolarHBondContact O-N 3.43Å
224	L	82.3	Confident	84.2	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-30.3	180	-179.9	59.3	0	0	0	112.4	T228 C244 M247 L248	L224-T228 WeakPolarHBondContact O-CB 3.26Å; L224-T228 PolarHBondContact O-N 3.37Å; L224-T228 PolarHBondContact O-OG1 2.59Å; L224-C244 HydrophobicContact CD1-CB 4.34Å; L224-M247 HydrophobicContact CB-CB 4.39Å; L224-M247 HydrophobicContact CB-CE 4.06Å; L224-M247 HydrophobicContact CB-SD 4.27Å; L224-M247 HydrophobicContact CD1-CB 4.01Å; L224-M247 HydrophobicContact CD2-CB 4.4Å; L224-M247 HydrophobicContact CG-CB 4.49Å; L224-L248 HydrophobicContact CD1-CG 4.43Å; L224-L248 HydrophobicContact CD2-CD2 3.86Å; L224-L248 HydrophobicContact CD2-CG 4.13Å
225	R	85.8	Confident	84.3	Confident	201 Å²	201	61.1 Å²	61.1	76%	0.758	30%	0.296	S	S	*	.	H	α-helix	trans	-62.5	-44.9	173.6	-174.4	179.4	178.8	125.7	-1.5	111.5	N223 T228 V229	N223-R225 PolarHBondContact O-N 3.39Å; N223-R225 VanDerWaalsContact O-N 3.11Å; N223-R225 VanDerWaalsContact OD1-CB 3.26Å; N223-R225 WeakPolarHBondContact OD1-CB 3.23Å; N223-R225 PolarHBondContact OD1-N 2.71Å; R225-T228 PolarHBondContact O-N 3.22Å; R225-V229 WeakPolarHBondContact O-CG2 3.11Å; R225-V229 PolarHBondContact O-N 3Å
226	S	85.7	Confident	84.4	Confident	41 Å²	41	61.3 Å²	61.3	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-45.6	179.4	-53.8	0	0	0	0	111.2	N223 T228 V229 F230	N223-S226 WeakPolarHBondContact O-CB 3.12Å; N223-S226 PolarHBondContact O-N 3.12Å; S226-T228 PolarHBondContact O-N 2.67Å; S226-V229 PolarHBondContact O-N 2.68Å; S226-F230 PolarHBondContact O-N 3.39Å
227	L	87.2	Confident	84.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-36.3	176.4	-66.3	174.3	0	0	0	112.4	F215 N223 V229 F230 L231 Q243 M247	F215-L227 HydrophobicContact CD2-CD2 4.19Å; F215-L227 HydrophobicContact CE2-CD2 3.99Å; N223-L227 PolarHBondContact O-N 3.43Å; L227-V229 PolarHBondContact O-N 3.18Å; L227-F230 PolarHBondContact O-N 3.45Å; L227-L231 WeakPolarHBondContact O-CB 3.31Å; L227-L231 PolarHBondContact O-N 2.82Å; L227-Q243 HydrophobicContact CD1-CB 4.3Å; L227-Q243 HydrophobicContact CD1-CG 3.81Å; L227-M247 HydrophobicContact CD1-SD 3.75Å
228	T	87.6	Confident	85.3	Confident	43 Å²	43	57.4 Å²	57.4	26%	0.264	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-38.3	173	-62.5	0	0	0	0	111.8	L224 R225 S226 L231 R232	L224-T228 WeakPolarHBondContact O-CB 3.26Å; L224-T228 PolarHBondContact O-N 3.37Å; L224-T228 PolarHBondContact O-OG1 2.59Å; R225-T228 PolarHBondContact O-N 3.22Å; S226-T228 PolarHBondContact O-N 2.67Å; T228-L231 PolarHBondContact O-N 3.06Å; T228-R232 WeakPolarHBondContact O-CB 3.43Å; T228-R232 VanDerWaalsContact O-CG 3.23Å; T228-R232 WeakPolarHBondContact O-CG 3.25Å; T228-R232 PolarHBondContact O-N 2.95Å
229	V	90.8	Very high	85.7	Confident	76 Å²	76	54.1 Å²	54.1	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-65.4	-43.6	173.4	168.4	0	0	0	0	110.8	R225 S226 L227 R232 K233	R225-V229 WeakPolarHBondContact O-CG2 3.11Å; R225-V229 PolarHBondContact O-N 3Å; S226-V229 PolarHBondContact O-N 2.68Å; L227-V229 PolarHBondContact O-N 3.18Å; V229-R232 PolarHBondContact O-N 2.91Å; V229-K233 PolarHBondContact O-N 3.34Å
230	F	91.9	Very high	86.3	Confident	1 Å²	1	54 Å²	54	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-46.9	173.9	178.6	-82.5	0	0	0	111.9	K211 E214 F215 Y218 S226 L227 R232 K233 H234 H237 S240	K211-F230 HydrophobicContact CB-CZ 4.34Å; K211-F230 WeakPolarHBondContact O-CZ 3.21Å; E214-F230 HydrophobicContact CB-CE2 4.02Å; E214-F230 HydrophobicContact CG-CD2 4.12Å; E214-F230 HydrophobicContact CG-CE2 3.78Å; F215-F230 HydrophobicContact CB-CE1 4.1Å; F215-F230 HydrophobicContact CB-CE2 3.92Å; F215-F230 HydrophobicContact CB-CZ 3.62Å; F215-F230 HydrophobicContact CD2-CE1 4.42Å; Y218-F230 HydrophobicContact CD2-CB 4.4Å; Y218-F230 AromaticContact CD2-CD2 3.68Å; Y218-F230 HydrophobicContact CD2-CD2 3.68Å; Y218-F230 HydrophobicContact CD2-CE2 4.44Å; Y218-F230 HydrophobicContact CD2-CG 4.36Å; Y218-F230 HydrophobicContact CE2-CB 4.4Å; Y218-F230 AromaticContact CE2-CD2 3.72Å; Y218-F230 HydrophobicContact CE2-CD2 3.72Å; S226-F230 PolarHBondContact O-N 3.39Å; L227-F230 PolarHBondContact O-N 3.45Å; F230-R232 VanDerWaalsContact C-N 3.32Å; F230-R232 PolarHBondContact O-N 2.79Å; F230-K233 CarbonylContact O-C 3.1Å; F230-K233 WeakPolarHBondContact O-CA 3.41Å; F230-K233 WeakPolarHBondContact O-CB 3.32Å; F230-K233 PolarHBondContact O-N 2.95Å; F230-K233 VanDerWaalsContact O-N 3.08Å; F230-H234 AromaticContact CD2-CD2 3.96Å; F230-H234 HydrophobicContact CE1-CB 4.22Å; F230-H234 AromaticContact CE2-CD2 3.49Å; F230-H234 VanDerWaalsContact CE2-CD2 3.49Å; F230-H234 WeakPolarHBondContact CE2-CD2 3.44Å; F230-H234 AromaticContact CE2-NE2 3.9Å; F230-H234 HydrophobicContact CZ-CB 4.35Å; F230-H234 AromaticContact CZ-CD2 3.55Å; F230-H234 PolarHBondContact O-N 2.91Å; F230-H237 HydrophobicContact CE1-CB 4.01Å; F230-H237 AromaticContact CE1-CG 3.73Å; F230-H237 AromaticContact CE1-ND1 3.48Å; F230-H237 WeakPolarHBondContact CE1-ND1 3.44Å; F230-H237 AromaticContact CZ-ND1 3.88Å; F230-S240 WeakPolarHBondContact CE1-OG 3.46Å
231	L	91.3	Very high	87.3	Confident	22 Å²	22	48 Å²	48	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-31.9	-179.2	-175.4	61.5	0	0	0	112.6	L227 T228 H234 P235 M241 C244 L260	L227-L231 WeakPolarHBondContact O-CB 3.31Å; L227-L231 PolarHBondContact O-N 2.82Å; T228-L231 PolarHBondContact O-N 3.06Å; L231-H234 CarbonylContact O-C 3.59Å; L231-H234 VanDerWaalsContact O-C 3.24Å; L231-P235 WeakPolarHBondContact O-CA 3.48Å; L231-P235 VanDerWaalsContact O-N 3.12Å; L231-M241 HydrophobicContact CD1-CG 3.64Å; L231-M241 HydrophobicContact CD1-SD 4.39Å; L231-M241 HydrophobicContact CD2-CG 4.38Å; L231-C244 HydrophobicContact CD2-CB 4.37Å; L231-L260 HydrophobicContact CD2-CD1 4.2Å; L231-L260 HydrophobicContact CD2-CD2 3.78Å
232	R	91.2	Very high	88.2	Confident	197 Å²	197	44.1 Å²	44.1	74%	0.743	21%	0.21	S	C	*	.	H	α-helix	trans	-68.7	-35.1	170.6	-73.2	170	-176.6	-176.1	2.9	112.6	T228 V229 F230	T228-R232 WeakPolarHBondContact O-CB 3.43Å; T228-R232 VanDerWaalsContact O-CG 3.23Å; T228-R232 WeakPolarHBondContact O-CG 3.25Å; T228-R232 PolarHBondContact O-N 2.95Å; V229-R232 PolarHBondContact O-N 2.91Å; F230-R232 VanDerWaalsContact C-N 3.32Å; F230-R232 PolarHBondContact O-N 2.79Å
233	K	91.9	Very high	89.2	Confident	116 Å²	116	43.2 Å²	43.2	50%	0.504	20%	0.203	S	C	.	.	H	α-helix	trans	-71.6	-40	175	-175.4	-167.8	-178.9	-164.8	0	111.7	E214 V229 F230	E214-K233 IonicContact OE1-NZ 3.85Å; E214-K233 PolarHBondContact OE1-NZ 2.96Å; E214-K233 IonicContact OE2-NZ 2.6Å; E214-K233 PolarHBondContact OE2-NZ 3.35Å; V229-K233 PolarHBondContact O-N 3.34Å; F230-K233 CarbonylContact O-C 3.1Å; F230-K233 WeakPolarHBondContact O-CA 3.41Å; F230-K233 WeakPolarHBondContact O-CB 3.32Å; F230-K233 PolarHBondContact O-N 2.95Å; F230-K233 VanDerWaalsContact O-N 3.08Å
234	H	92.2	Very high	89.7	Confident	46 Å²	46	39.3 Å²	39.3	21%	0.213	18%	0.182	C	C	.	.	S	Bend	trans	-127.7	74.8	-178	-57.6	-65	0	0	0	111.8	K211 E214 F230 L231 H237	K211-H234 HydrophobicContact CD-CB 4.26Å; E214-H234 IonicContact OE1-NE2 3.68Å; E214-H234 PolarHBondContact OE1-NE2 3.5Å; E214-H234 IonicContact OE2-CD2 3.83Å; E214-H234 IonicContact OE2-NE2 2.74Å; E214-H234 PolarHBondContact OE2-NE2 2.84Å; F230-H234 AromaticContact CD2-CD2 3.96Å; F230-H234 HydrophobicContact CE1-CB 4.22Å; F230-H234 AromaticContact CE2-CD2 3.49Å; F230-H234 VanDerWaalsContact CE2-CD2 3.49Å; F230-H234 WeakPolarHBondContact CE2-CD2 3.44Å; F230-H234 AromaticContact CE2-NE2 3.9Å; F230-H234 HydrophobicContact CZ-CB 4.35Å; F230-H234 AromaticContact CZ-CD2 3.55Å; F230-H234 PolarHBondContact O-N 2.91Å; L231-H234 CarbonylContact O-C 3.59Å; L231-H234 VanDerWaalsContact O-C 3.24Å; H234-H237 HydrophobicContact CB-CB 4.27Å; H234-H237 WeakPolarHBondContact O-CB 3.27Å; H234-H237 PolarHBondContact O-N 3.39Å
235	P	90.9	Very high	90	Very high	51 Å²	51	38.8 Å²	38.8	33%	0.331	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	148.4	171.1	-25.8	35.3	0	0	0	111.6	P179 L231 H237	P179-P235 HydrophobicContact CB-CB 4.18Å; P179-P235 HydrophobicContact CB-CG 4.5Å; P179-P235 HydrophobicContact CG-CB 4.2Å; P179-P235 HydrophobicContact CG-CG 4.49Å; L231-P235 WeakPolarHBondContact O-CA 3.48Å; L231-P235 VanDerWaalsContact O-N 3.12Å; P235-H237 VanDerWaalsContact C-N 3.27Å; P235-H237 PolarHBondContact O-N 3Å
236	Y	92	Very high	89.8	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.016	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	23.6	-178.6	-57.7	-78.3	0	0	0	115.3	P179 Y181 M241 M263 Y266	P179-Y236 HydrophobicContact CB-CE2 4.21Å; P179-Y236 PolarHBondContact O-OH 2.81Å; Y181-Y236 AromaticContact CD2-CD1 3.98Å; Y181-Y236 HydrophobicContact CD2-CD1 3.98Å; Y181-Y236 AromaticContact CD2-CD2 3.75Å; Y181-Y236 HydrophobicContact CD2-CD2 3.75Å; Y181-Y236 HydrophobicContact CD2-CE1 4.03Å; Y181-Y236 AromaticContact CD2-CE2 3.83Å; Y181-Y236 HydrophobicContact CD2-CE2 3.83Å; Y181-Y236 AromaticContact CD2-CG 3.82Å; Y181-Y236 HydrophobicContact CD2-CG 3.82Å; Y181-Y236 AromaticContact CD2-CZ 3.96Å; Y181-Y236 HydrophobicContact CE2-CD1 4.39Å; Y181-Y236 HydrophobicContact CE2-CD2 4.46Å; Y181-Y236 HydrophobicContact CE2-CG 4.18Å; Y181-Y236 HydrophobicContact CG-CE2 4.42Å; Y236-M241 VanDerWaalsContact C-CE 3.49Å; Y236-M263 HydrophobicContact CD1-CG 3.64Å; Y236-M263 WeakPolarHBondContact CD1-O 3.19Å; Y236-M263 HydrophobicContact CD1-SD 4.45Å; Y236-M263 HydrophobicContact CE1-CG 3.25Å; Y236-M263 HydrophobicContact CE1-SD 4.08Å; Y236-Y266 AromaticContact CE1-CD1 3.97Å; Y236-Y266 HydrophobicContact CE1-CD1 3.97Å; Y236-Y266 HydrophobicContact CE1-CE1 4.48Å
237	H	93.4	Very high	89.8	Confident	2 Å²	2	28 Å²	28	1%	0.009	13%	0.133	C	C	.	.			trans	-83.4	115.6	167.2	-175	-92.6	0	0	0	110.9	Y208 E212 F215 F230 H234 P235 S240 M241	Y208-H237 AromaticContact CE1-CD2 3.82Å; Y208-H237 AromaticContact CE1-NE2 3.72Å; Y208-H237 AromaticContact CE2-CD2 3.83Å; Y208-H237 AromaticContact CZ-CD2 3.46Å; Y208-H237 VanDerWaalsContact CZ-CD2 3.46Å; Y208-H237 AromaticContact CZ-NE2 3.8Å; E212-H237 PolarHBondContact N-NE2 3.32Å; E212-H237 IonicContact OE2-CE1 2.66Å; E212-H237 PolarHBondContact OE2-CE1 3.16Å; E212-H237 IonicContact OE2-NE2 3.99Å; E212-H237 PolarHBondContact OE2-NE2 3.35Å; F215-H237 AromaticContact CD1-CE1 3.84Å; F215-H237 AromaticContact CG-CE1 3.74Å; F230-H237 HydrophobicContact CE1-CB 4.01Å; F230-H237 AromaticContact CE1-CG 3.73Å; F230-H237 AromaticContact CE1-ND1 3.48Å; F230-H237 WeakPolarHBondContact CE1-ND1 3.44Å; F230-H237 AromaticContact CZ-ND1 3.88Å; H234-H237 HydrophobicContact CB-CB 4.27Å; H234-H237 WeakPolarHBondContact O-CB 3.27Å; H234-H237 PolarHBondContact O-N 3.39Å; P235-H237 VanDerWaalsContact C-N 3.27Å; P235-H237 PolarHBondContact O-N 3Å; H237-S240 WeakPolarHBondContact CB-OG 3.3Å; H237-S240 PolarHBondContact ND1-OG 2.83Å; H237-S240 PolarHBondContact O-N 2.86Å; H237-S240 PolarHBondContact O-OG 2.94Å; H237-M241 WeakPolarHBondContact O-CG 3.4Å; H237-M241 PolarHBondContact O-N 2.99Å
238	V	92.2	Very high	89.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72.1	-48.6	-155.8	-176.4	0	0	0	0	113.5	L186 Y208 S240 M241 I242 L268 Q294 H298	L186-V238 HydrophobicContact CD2-CG2 3.93Å; Y208-V238 PolarHBondContact OH-N 3.18Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 3.47Å; V238-M241 HydrophobicContact CB-CE 4.5Å; V238-M241 HydrophobicContact CG2-CE 4.27Å; V238-M241 WeakPolarHBondContact O-CB 3.39Å; V238-M241 PolarHBondContact O-N 3.29Å; V238-I242 PolarHBondContact O-N 3.36Å; V238-L268 HydrophobicContact CG1-CD1 4.07Å; V238-L268 HydrophobicContact CG1-CD2 4.38Å; V238-L268 HydrophobicContact CG1-CG 4.23Å; V238-Q294 HydrophobicContact CG1-CB 3.85Å; V238-Q294 HydrophobicContact CG1-CG 4.45Å; V238-H298 WeakPolarHBondContact CG1-CD2 3.42Å; V238-H298 WeakPolarHBondContact CG1-NE2 3.44Å; V238-H298 PolarHBondContact O-NE2 2.91Å
239	N	90	Very high	89.5	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-34.8	177.8	-82.3	-15	0	0	0	113.1	E212 F215 M241 I242 Q243 Y290 Q294 F531	E212-N239 PolarHBondContact OE1-ND2 2.95Å; F215-N239 HydrophobicContact CD1-CB 4.01Å; F215-N239 HydrophobicContact CE1-CB 3.28Å; F215-N239 VanDerWaalsContact CZ-C 3.48Å; F215-N239 HydrophobicContact CZ-CB 3.73Å; N239-M241 VanDerWaalsContact C-N 3.25Å; N239-M241 PolarHBondContact O-N 3.31Å; N239-I242 PolarHBondContact O-N 3.44Å; N239-Q243 PolarHBondContact O-N 2.86Å; N239-Y290 PolarHBondContact ND2-OH 3.05Å; N239-Q294 PolarHBondContact ND2-NE2 3.17Å; N239-Q294 WeakPolarHBondContact OD1-CG 3.14Å; N239-Q294 PolarHBondContact OD1-NE2 3.48Å; N239-Q294 VanDerWaalsContact OD1-NE2 3.1Å; N239-F531 HydrophobicContact CB-CB 3.92Å; N239-F531 HydrophobicContact CB-CD2 4.24Å; N239-F531 HydrophobicContact CB-CG 4.23Å
240	S	90.5	Very high	89.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.9	-24.3	173.5	46.7	0	0	0	0	113	F215 F230 H237 V238 C244	F215-S240 VanDerWaalsContact CE2-CA 3.43Å; F230-S240 WeakPolarHBondContact CE1-OG 3.46Å; H237-S240 WeakPolarHBondContact CB-OG 3.3Å; H237-S240 PolarHBondContact ND1-OG 2.83Å; H237-S240 PolarHBondContact O-N 2.86Å; H237-S240 PolarHBondContact O-OG 2.94Å; V238-S240 VanDerWaalsContact C-N 3.32Å; V238-S240 PolarHBondContact O-N 3.47Å; S240-C244 VanDerWaalsContact O-CB 3.26Å; S240-C244 WeakPolarHBondContact O-CB 3.46Å; S240-C244 PolarHBondContact O-N 3.35Å; S240-C244 PolarHBondContact O-SG 3.24Å
241	M	91.8	Very high	88.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-72.9	-42.8	172.7	-71.2	-179.2	-67.5	0	0	111.4	L231 Y236 H237 V238 N239 Q243 C244 S245 M263 A264	L231-M241 HydrophobicContact CD1-CG 3.64Å; L231-M241 HydrophobicContact CD1-SD 4.39Å; L231-M241 HydrophobicContact CD2-CG 4.38Å; Y236-M241 VanDerWaalsContact C-CE 3.49Å; H237-M241 WeakPolarHBondContact O-CG 3.4Å; H237-M241 PolarHBondContact O-N 2.99Å; V238-M241 HydrophobicContact CB-CE 4.5Å; V238-M241 HydrophobicContact CG2-CE 4.27Å; V238-M241 WeakPolarHBondContact O-CB 3.39Å; V238-M241 PolarHBondContact O-N 3.29Å; N239-M241 VanDerWaalsContact C-N 3.25Å; N239-M241 PolarHBondContact O-N 3.31Å; M241-Q243 VanDerWaalsContact C-N 3.34Å; M241-Q243 PolarHBondContact O-N 3.44Å; M241-C244 PolarHBondContact O-N 2.97Å; M241-S245 WeakPolarHBondContact O-CB 3.4Å; M241-S245 PolarHBondContact O-N 2.88Å; M241-S245 PolarHBondContact O-OG 2.98Å; M241-S245 VanDerWaalsContact O-OG 3.04Å; M241-M263 HydrophobicContact CG-CE 4.4Å; M241-M263 HydrophobicContact SD-CB 4.34Å; M241-M263 HydrophobicContact SD-CE 3.53Å; M241-M263 VanDerWaalsContact SD-CE 3.53Å; M241-M263 HydrophobicContact SD-CG 4.2Å; M241-A264 HydrophobicContact CB-CB 3.9Å; M241-A264 VanDerWaalsContact CE-CA 3.46Å; M241-A264 HydrophobicContact CE-CB 3.46Å; M241-A264 VanDerWaalsContact CE-CB 3.46Å; M241-A264 HydrophobicContact CG-CB 4.5Å; M241-A264 HydrophobicContact SD-CB 3.91Å
242	I	88.9	Confident	88.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-53.8	-52.5	169.2	-79.4	131.6	0	0	0	109.9	V238 N239 C244 S245 E246 L297 H298 L301 T530 F531	V238-I242 PolarHBondContact O-N 3.36Å; N239-I242 PolarHBondContact O-N 3.44Å; I242-C244 VanDerWaalsContact C-N 3.29Å; I242-C244 PolarHBondContact O-N 2.91Å; I242-S245 PolarHBondContact O-N 3.31Å; I242-S245 PolarHBondContact O-OG 3.5Å; I242-S245 VanDerWaalsContact O-OG 3.05Å; I242-E246 PolarHBondContact O-N 3.11Å; I242-E246 VanDerWaalsContact O-N 3.15Å; I242-L297 HydrophobicContact CD1-CB 4.21Å; I242-H298 WeakPolarHBondContact CD1-CD2 3.4Å; I242-H298 VanDerWaalsContact CD1-NE2 3.31Å; I242-H298 WeakPolarHBondContact CD1-NE2 3.14Å; I242-H298 VanDerWaalsContact CG1-NE2 3.3Å; I242-H298 WeakPolarHBondContact CG1-NE2 3.4Å; I242-H298 PolarHBondContact N-CE1 3.41Å; I242-L301 HydrophobicContact CB-CD1 4.36Å; I242-L301 HydrophobicContact CG1-CD1 3.91Å; I242-L301 HydrophobicContact CG2-CD1 3.81Å; I242-T530 HydrophobicContact CG2-CG2 3.56Å; I242-T530 WeakPolarHBondContact CG2-O 3.34Å; I242-F531 HydrophobicContact CB-CB 4.3Å; I242-F531 HydrophobicContact CD1-CB 4.5Å; I242-F531 HydrophobicContact CG2-CB 4.04Å
243	Q	87.5	Confident	88.2	Confident	13 Å²	13	33.5 Å²	33.5	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-70.9	-27.3	-171.4	-160	59.7	77	0	0	112.6	F215 L227 N239 M241 M247 T530	F215-Q243 HydrophobicContact CE2-CB 4.41Å; F215-Q243 HydrophobicContact CZ-CB 4.31Å; L227-Q243 HydrophobicContact CD1-CB 4.3Å; L227-Q243 HydrophobicContact CD1-CG 3.81Å; N239-Q243 PolarHBondContact O-N 2.86Å; M241-Q243 VanDerWaalsContact C-N 3.34Å; M241-Q243 PolarHBondContact O-N 3.44Å; Q243-M247 WeakPolarHBondContact O-CB 3.49Å; Q243-M247 VanDerWaalsContact O-CG 3.24Å; Q243-M247 WeakPolarHBondContact O-CG 3.37Å; Q243-M247 PolarHBondContact O-N 3.27Å; Q243-T530 PolarHBondContact NE2-OG1 3.39Å
244	C	88.6	Confident	87.8	Confident	1 Å²	1	31 Å²	31	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-77.6	-43	172.6	-70.2	0	0	0	0	113	L224 L231 S240 M241 I242 E246 M247 L248 L260	L224-C244 HydrophobicContact CD1-CB 4.34Å; L231-C244 HydrophobicContact CD2-CB 4.37Å; S240-C244 VanDerWaalsContact O-CB 3.26Å; S240-C244 WeakPolarHBondContact O-CB 3.46Å; S240-C244 PolarHBondContact O-N 3.35Å; S240-C244 PolarHBondContact O-SG 3.24Å; M241-C244 PolarHBondContact O-N 2.97Å; I242-C244 VanDerWaalsContact C-N 3.29Å; I242-C244 PolarHBondContact O-N 2.91Å; C244-E246 VanDerWaalsContact C-N 3.33Å; C244-E246 PolarHBondContact O-N 2.87Å; C244-M247 PolarHBondContact O-N 3Å; C244-L248 WeakPolarHBondContact O-CB 3.39Å; C244-L248 WeakPolarHBondContact O-CD1 3.49Å; C244-L248 VanDerWaalsContact O-CG 3.32Å; C244-L248 WeakPolarHBondContact O-CG 3.47Å; C244-L248 PolarHBondContact O-N 2.92Å; C244-L260 HydrophobicContact CB-CD1 3.55Å
245	S	87.8	Confident	87.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-42.5	-178.3	57	0	0	0	0	111	M241 I242 M247 L248 Y249 A257 N261	M241-S245 WeakPolarHBondContact O-CB 3.4Å; M241-S245 PolarHBondContact O-N 2.88Å; M241-S245 PolarHBondContact O-OG 2.98Å; M241-S245 VanDerWaalsContact O-OG 3.04Å; I242-S245 PolarHBondContact O-N 3.31Å; I242-S245 PolarHBondContact O-OG 3.5Å; I242-S245 VanDerWaalsContact O-OG 3.05Å; S245-M247 PolarHBondContact O-N 3.01Å; S245-L248 CarbonylContact O-C 3.32Å; S245-L248 WeakPolarHBondContact O-CB 3.37Å; S245-L248 PolarHBondContact O-N 3.28Å; S245-L248 VanDerWaalsContact O-N 3.13Å; S245-Y249 PolarHBondContact O-N 3.43Å; S245-A257 WeakPolarHBondContact CB-O 3.35Å; S245-A257 VanDerWaalsContact O-CB 3.28Å; S245-A257 WeakPolarHBondContact O-CB 3.31Å; S245-N261 WeakPolarHBondContact CB-OD1 3.34Å; S245-N261 PolarHBondContact OG-OD1 2.88Å
246	E	83	Confident	87.4	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.019	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-41.7	176.2	-171.3	67.3	178.8	0	0	112.7	I242 C244 L248 Y249 W250 K517 T530	I242-E246 PolarHBondContact O-N 3.11Å; I242-E246 VanDerWaalsContact O-N 3.15Å; C244-E246 VanDerWaalsContact C-N 3.33Å; C244-E246 PolarHBondContact O-N 2.87Å; E246-L248 PolarHBondContact O-N 3.48Å; E246-Y249 WeakPolarHBondContact O-CB 3.29Å; E246-Y249 PolarHBondContact O-N 2.97Å; E246-W250 VanDerWaalsContact CD-NE1 3.32Å; E246-W250 PolarHBondContact O-N 2.94Å; E246-W250 VanDerWaalsContact O-N 3.09Å; E246-W250 PolarHBondContact OE1-NE1 3.31Å; E246-K517 WeakPolarHBondContact OE1-CE 3.23Å; E246-K517 IonicContact OE1-NZ 2.68Å; E246-K517 WeakPolarHBondContact OE2-CE 3.34Å; E246-K517 IonicContact OE2-NZ 3.86Å; E246-K517 PolarHBondContact OE2-NZ 3.45Å; E246-T530 HydrophobicContact CB-CG2 3.73Å; E246-T530 HydrophobicContact CG-CG2 3.63Å
247	M	84.1	Confident	87.1	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-69.5	-16.1	174.9	-72.3	-173.2	89.4	0	0	113.9	P222 L224 L227 Q243 C244 S245 R251	P222-M247 WeakPolarHBondContact O-CE 3.16Å; L224-M247 HydrophobicContact CB-CB 4.39Å; L224-M247 HydrophobicContact CB-CE 4.06Å; L224-M247 HydrophobicContact CB-SD 4.27Å; L224-M247 HydrophobicContact CD1-CB 4.01Å; L224-M247 HydrophobicContact CD2-CB 4.4Å; L224-M247 HydrophobicContact CG-CB 4.49Å; L227-M247 HydrophobicContact CD1-SD 3.75Å; Q243-M247 WeakPolarHBondContact O-CB 3.49Å; Q243-M247 VanDerWaalsContact O-CG 3.24Å; Q243-M247 WeakPolarHBondContact O-CG 3.37Å; Q243-M247 PolarHBondContact O-N 3.27Å; C244-M247 PolarHBondContact O-N 3Å; S245-M247 PolarHBondContact O-N 3.01Å; M247-R251 VanDerWaalsContact O-CD 3.31Å; M247-R251 WeakPolarHBondContact O-CD 3.13Å; M247-R251 WeakPolarHBondContact O-CG 3.46Å
248	L	86.2	Confident	86.7	Confident	24 Å²	24	35.2 Å²	35.2	13%	0.126	17%	0.173	C	C	.	.	H	α-helix	trans	-88.1	-36.6	171	-74.6	163.4	0	0	0	111.5	L224 C244 S245 E246 R251 D252 D253 T256 A257 L260	L224-L248 HydrophobicContact CD1-CG 4.43Å; L224-L248 HydrophobicContact CD2-CD2 3.86Å; L224-L248 HydrophobicContact CD2-CG 4.13Å; C244-L248 WeakPolarHBondContact O-CB 3.39Å; C244-L248 WeakPolarHBondContact O-CD1 3.49Å; C244-L248 VanDerWaalsContact O-CG 3.32Å; C244-L248 WeakPolarHBondContact O-CG 3.47Å; C244-L248 PolarHBondContact O-N 2.92Å; S245-L248 CarbonylContact O-C 3.32Å; S245-L248 WeakPolarHBondContact O-CB 3.37Å; S245-L248 PolarHBondContact O-N 3.28Å; S245-L248 VanDerWaalsContact O-N 3.13Å; E246-L248 PolarHBondContact O-N 3.48Å; L248-R251 CarbonylContact O-C 3.59Å; L248-R251 WeakPolarHBondContact O-CA 3.27Å; L248-R251 PolarHBondContact O-N 3.32Å; L248-D252 PolarHBondContact O-N 3.39Å; L248-D253 HydrophobicContact CB-CB 4.29Å; L248-D253 HydrophobicContact CD2-CB 4.08Å; L248-D253 PolarHBondContact O-N 3.15Å; L248-T256 HydrophobicContact CD1-CG2 3.79Å; L248-A257 HydrophobicContact CB-CB 4.18Å; L248-L260 HydrophobicContact CD1-CD1 3.71Å
249	Y	83.5	Confident	86.5	Confident	39 Å²	39	37.4 Å²	37.4	15%	0.153	18%	0.184	C	C	.	.	H	α-helix	trans	-56	-50.3	172.2	178.6	-80	0	0	0	110.9	S245 E246 R251 D252 L254 D305 L308 K517	S245-Y249 PolarHBondContact O-N 3.43Å; E246-Y249 WeakPolarHBondContact O-CB 3.29Å; E246-Y249 PolarHBondContact O-N 2.97Å; Y249-R251 PolarHBondContact O-N 2.94Å; Y249-D252 PolarHBondContact O-N 3.16Å; Y249-L254 HydrophobicContact CD2-CD2 3.38Å; Y249-L254 HydrophobicContact CE2-CD2 3.61Å; Y249-L254 HydrophobicContact CG-CD2 4.01Å; Y249-D305 WeakPolarHBondContact CD2-OD1 3.35Å; Y249-D305 WeakPolarHBondContact CE2-OD1 3.33Å; Y249-L308 HydrophobicContact CE2-CD1 4.39Å; Y249-K517 HydrophobicContact CD1-CD 4.08Å; Y249-K517 HydrophobicContact CD2-CD 4.47Å; Y249-K517 HydrophobicContact CE1-CD 3.62Å; Y249-K517 HydrophobicContact CE2-CD 4.02Å
250	W	81.9	Confident	86.5	Confident	72 Å²	72	38.2 Å²	38.2	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	11.3	175.1	-60	112.9	0	0	0	114.5	E246 K517 L519 W557 L564	E246-W250 VanDerWaalsContact CD-NE1 3.32Å; E246-W250 PolarHBondContact O-N 2.94Å; E246-W250 VanDerWaalsContact O-N 3.09Å; E246-W250 PolarHBondContact OE1-NE1 3.31Å; W250-K517 HydrophobicContact CZ2-CB 4.49Å; W250-K517 HydrophobicContact CZ2-CD 4.09Å; W250-K517 HydrophobicContact CZ2-CG 4.27Å; W250-L519 HydrophobicContact CH2-CD1 3.4Å; W250-L519 VanDerWaalsContact CH2-CD1 3.4Å; W250-L519 HydrophobicContact CH2-CG 4.48Å; W250-L519 HydrophobicContact CZ2-CD1 3.66Å; W250-L519 HydrophobicContact CZ3-CD1 4.27Å; W250-W557 AromaticContact CD2-CZ2 3.89Å; W250-W557 HydrophobicContact CD2-CZ2 3.89Å; W250-W557 AromaticContact CE2-CZ2 3.64Å; W250-W557 HydrophobicContact CE3-CZ2 4.12Å; W250-W557 AromaticContact CH2-CZ2 3.99Å; W250-W557 HydrophobicContact CH2-CZ2 3.99Å; W250-W557 AromaticContact CZ2-CZ2 3.73Å; W250-W557 HydrophobicContact CZ2-CZ2 3.73Å; W250-W557 HydrophobicContact CZ3-CH2 4.49Å; W250-W557 HydrophobicContact CZ3-CZ2 4.16Å; W250-W557 AromaticContact NE1-NE1 3.75Å; W250-L564 HydrophobicContact CB-CD1 4.48Å
251	R	85	Confident	86.4	Confident	115 Å²	115	38.2 Å²	38.2	43%	0.434	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	18.5	171.5	-67.5	179.5	173.5	-146	-8	112	M247 L248 Y249 D253 L564	M247-R251 VanDerWaalsContact O-CD 3.31Å; M247-R251 WeakPolarHBondContact O-CD 3.13Å; M247-R251 WeakPolarHBondContact O-CG 3.46Å; L248-R251 CarbonylContact O-C 3.59Å; L248-R251 WeakPolarHBondContact O-CA 3.27Å; L248-R251 PolarHBondContact O-N 3.32Å; Y249-R251 PolarHBondContact O-N 2.94Å; R251-D253 PolarHBondContact O-N 3.44Å; R251-D253 VanDerWaalsContact O-N 3.12Å; R251-L564 VanDerWaalsContact NE-CD2 3.31Å
252	D	84.2	Confident	86.1	Confident	148 Å²	148	39.5 Å²	39.5	79%	0.791	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	8.9	-177.7	-55.2	-52.8	0	0	0	115.4	L248 Y249 L254	L248-D252 PolarHBondContact O-N 3.39Å; Y249-D252 PolarHBondContact O-N 3.16Å; D252-L254 PolarHBondContact O-N 2.89Å
253	D	86.7	Confident	86.1	Confident	58 Å²	58	40.1 Å²	40.1	31%	0.31	20%	0.197	S	C	.	.			trans	-86.9	59	176.8	-168.5	-3.3	0	0	0	111.2	L248 R251 N255 T256 A257	L248-D253 HydrophobicContact CB-CB 4.29Å; L248-D253 HydrophobicContact CD2-CB 4.08Å; L248-D253 PolarHBondContact O-N 3.15Å; R251-D253 PolarHBondContact O-N 3.44Å; R251-D253 VanDerWaalsContact O-N 3.12Å; D253-N255 PolarHBondContact O-N 3.38Å; D253-T256 VanDerWaalsContact CG-CB 3.45Å; D253-T256 PolarHBondContact O-N 3.31Å; D253-T256 WeakPolarHBondContact OD1-CB 3.36Å; D253-T256 PolarHBondContact OD1-N 2.89Å; D253-T256 VanDerWaalsContact OD1-N 3.12Å; D253-T256 PolarHBondContact OD1-OG1 3.43Å; D253-T256 VanDerWaalsContact OD2-CB 3.31Å; D253-T256 WeakPolarHBondContact OD2-CB 3.29Å; D253-T256 PolarHBondContact OD2-OG1 3.39Å; D253-A257 WeakPolarHBondContact O-CB 3.25Å; D253-A257 PolarHBondContact O-N 3Å
254	L	84.4	Confident	86.3	Confident	63 Å²	63	39.5 Å²	39.5	33%	0.33	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-31.7	-176.8	-56	-178.2	0	0	0	112.6	Y249 D252 Q258	Y249-L254 HydrophobicContact CD2-CD2 3.38Å; Y249-L254 HydrophobicContact CE2-CD2 3.61Å; Y249-L254 HydrophobicContact CG-CD2 4.01Å; D252-L254 PolarHBondContact O-N 2.89Å; L254-Q258 WeakPolarHBondContact O-CB 3.38Å; L254-Q258 PolarHBondContact O-N 2.95Å
255	N	85.5	Confident	86.3	Confident	113 Å²	113	39.4 Å²	39.4	60%	0.604	19%	0.194	S	C	*	.	H	α-helix	trans	-70.6	-45.7	179.7	-67.7	-61.8	0	0	0	111.2	D253 A257 Q258 D259	D253-N255 PolarHBondContact O-N 3.38Å; N255-A257 VanDerWaalsContact C-N 3.35Å; N255-Q258 PolarHBondContact O-N 3.06Å; N255-D259 PolarHBondContact O-N 2.76Å
256	T	88.4	Confident	86.3	Confident	61 Å²	61	40.9 Å²	40.9	37%	0.374	20%	0.2	S	C	.	.	H	α-helix	trans	-70.6	-33.6	176.9	-49.8	0	0	0	0	111.2	L248 D253 D259 L260	L248-T256 HydrophobicContact CD1-CG2 3.79Å; D253-T256 VanDerWaalsContact CG-CB 3.45Å; D253-T256 PolarHBondContact O-N 3.31Å; D253-T256 WeakPolarHBondContact OD1-CB 3.36Å; D253-T256 PolarHBondContact OD1-N 2.89Å; D253-T256 VanDerWaalsContact OD1-N 3.12Å; D253-T256 PolarHBondContact OD1-OG1 3.43Å; D253-T256 VanDerWaalsContact OD2-CB 3.31Å; D253-T256 WeakPolarHBondContact OD2-CB 3.29Å; D253-T256 PolarHBondContact OD2-OG1 3.39Å; T256-D259 PolarHBondContact O-N 2.84Å; T256-L260 WeakPolarHBondContact O-CG 3.5Å; T256-L260 PolarHBondContact O-N 3.4Å
257	A	86.3	Confident	86.7	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-49.7	171.1	0	0	0	0	0	112.1	S245 L248 D253 N255 D259 L260 N261	S245-A257 WeakPolarHBondContact CB-O 3.35Å; S245-A257 VanDerWaalsContact O-CB 3.28Å; S245-A257 WeakPolarHBondContact O-CB 3.31Å; L248-A257 HydrophobicContact CB-CB 4.18Å; D253-A257 WeakPolarHBondContact O-CB 3.25Å; D253-A257 PolarHBondContact O-N 3Å; N255-A257 VanDerWaalsContact C-N 3.35Å; A257-D259 PolarHBondContact O-N 3.49Å; A257-L260 PolarHBondContact O-N 2.81Å; A257-N261 PolarHBondContact O-N 2.95Å
258	Q	83.9	Confident	87	Confident	17 Å²	17	40.2 Å²	40.2	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-43.5	176.2	-175.4	166.9	35.1	0	0	111.9	L254 N255 L260 N261 E262 T306	L254-Q258 WeakPolarHBondContact O-CB 3.38Å; L254-Q258 PolarHBondContact O-N 2.95Å; N255-Q258 PolarHBondContact O-N 3.06Å; Q258-L260 VanDerWaalsContact C-N 3.29Å; Q258-L260 PolarHBondContact O-N 3.31Å; Q258-N261 PolarHBondContact O-N 3.45Å; Q258-E262 HydrophobicContact CG-CG 4.49Å; Q258-E262 WeakPolarHBondContact O-CG 3.19Å; Q258-E262 PolarHBondContact O-N 2.86Å; Q258-T306 PolarHBondContact NE2-OG1 2.85Å
259	D	88.2	Confident	87	Confident	46 Å²	46	40.3 Å²	40.3	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-35.8	177	-111.9	58.2	0	0	0	112.6	K175 W178 N255 T256 A257 M263	K175-D259 IonicContact NZ-OD1 3.3Å; K175-D259 PolarHBondContact NZ-OD1 3.41Å; W178-D259 PolarHBondContact NE1-OD2 2.98Å; N255-D259 PolarHBondContact O-N 2.76Å; T256-D259 PolarHBondContact O-N 2.84Å; A257-D259 PolarHBondContact O-N 3.49Å; D259-M263 WeakPolarHBondContact O-CB 3.39Å; D259-M263 PolarHBondContact O-N 3.44Å
260	L	90.3	Very high	87.3	Confident	18 Å²	18	41 Å²	41	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-41.9	174.6	-72.2	-173.2	0	0	0	112.8	L231 C244 L248 T256 A257 Q258 M263 A264	L231-L260 HydrophobicContact CD2-CD1 4.2Å; L231-L260 HydrophobicContact CD2-CD2 3.78Å; C244-L260 HydrophobicContact CB-CD1 3.55Å; L248-L260 HydrophobicContact CD1-CD1 3.71Å; T256-L260 WeakPolarHBondContact O-CG 3.5Å; T256-L260 PolarHBondContact O-N 3.4Å; A257-L260 PolarHBondContact O-N 2.81Å; Q258-L260 VanDerWaalsContact C-N 3.29Å; Q258-L260 PolarHBondContact O-N 3.31Å; L260-M263 HydrophobicContact CD2-CE 3.54Å; L260-M263 PolarHBondContact O-N 3.35Å; L260-A264 VanDerWaalsContact O-CB 3.32Å; L260-A264 WeakPolarHBondContact O-CB 3.49Å; L260-A264 PolarHBondContact O-N 3.23Å
261	N	87.5	Confident	87.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-42.3	176	-68.3	-15.7	0	0	0	110.8	S245 A257 Q258 A264 I265 H302 D305	S245-N261 WeakPolarHBondContact CB-OD1 3.34Å; S245-N261 PolarHBondContact OG-OD1 2.88Å; A257-N261 PolarHBondContact O-N 2.95Å; Q258-N261 PolarHBondContact O-N 3.45Å; N261-A264 PolarHBondContact O-N 2.74Å; N261-I265 WeakPolarHBondContact O-CG1 3.35Å; N261-I265 PolarHBondContact O-N 3.25Å; N261-H302 HydrophobicContact CB-CB 4.21Å; N261-D305 PolarHBondContact ND2-OD2 3.3Å
262	E	85.8	Confident	87.9	Confident	26 Å²	26	34.4 Å²	34.4	12%	0.121	18%	0.184	C	C	.	.	H	α-helix	trans	-59.5	-49.7	171.6	-76.8	-175	-143.2	0	0	112.9	V172 K175 W178 Q258 A264 I265 Y266 H302	V172-E262 HydrophobicContact CG1-CB 3.93Å; V172-E262 HydrophobicContact CG1-CG 4.24Å; K175-E262 WeakPolarHBondContact CE-OE2 3.45Å; K175-E262 IonicContact NZ-OE1 2.62Å; K175-E262 PolarHBondContact NZ-OE1 3.44Å; K175-E262 IonicContact NZ-OE2 3.75Å; K175-E262 PolarHBondContact NZ-OE2 3.15Å; W178-E262 HydrophobicContact CH2-CB 3.72Å; W178-E262 HydrophobicContact CZ2-CB 3.58Å; Q258-E262 HydrophobicContact CG-CG 4.49Å; Q258-E262 WeakPolarHBondContact O-CG 3.19Å; Q258-E262 PolarHBondContact O-N 2.86Å; E262-A264 PolarHBondContact O-N 3.34Å; E262-I265 PolarHBondContact O-N 3.46Å; E262-Y266 WeakPolarHBondContact O-CB 3.33Å; E262-Y266 PolarHBondContact O-N 3.14Å; E262-H302 WeakPolarHBondContact CG-CE1 3.4Å
263	M	90.3	Very high	88.1	Confident	13 Å²	13	30.2 Å²	30.2	6%	0.064	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-30.7	-179.5	-172.9	172	66.7	0	0	111.7	W178 Y236 M241 D259 L260 S267	W178-M263 HydrophobicContact CB-SD 4.21Å; W178-M263 HydrophobicContact CD2-CB 4Å; W178-M263 HydrophobicContact CD2-CG 3.97Å; W178-M263 HydrophobicContact CD2-SD 4.38Å; W178-M263 HydrophobicContact CE3-CB 4.21Å; W178-M263 HydrophobicContact CE3-CG 4.08Å; W178-M263 HydrophobicContact CG-CG 4.24Å; W178-M263 HydrophobicContact CG-SD 4.03Å; W178-M263 HydrophobicContact CH2-CB 4.35Å; W178-M263 HydrophobicContact CZ2-CB 4.11Å; W178-M263 HydrophobicContact CZ3-CB 4.38Å; Y236-M263 HydrophobicContact CD1-CG 3.64Å; Y236-M263 WeakPolarHBondContact CD1-O 3.19Å; Y236-M263 HydrophobicContact CD1-SD 4.45Å; Y236-M263 HydrophobicContact CE1-CG 3.25Å; Y236-M263 HydrophobicContact CE1-SD 4.08Å; M241-M263 HydrophobicContact CG-CE 4.4Å; M241-M263 HydrophobicContact SD-CB 4.34Å; M241-M263 HydrophobicContact SD-CE 3.53Å; M241-M263 VanDerWaalsContact SD-CE 3.53Å; M241-M263 HydrophobicContact SD-CG 4.2Å; D259-M263 WeakPolarHBondContact O-CB 3.39Å; D259-M263 PolarHBondContact O-N 3.44Å; L260-M263 HydrophobicContact CD2-CE 3.54Å; L260-M263 PolarHBondContact O-N 3.35Å; M263-S267 PolarHBondContact O-N 2.96Å; M263-S267 VanDerWaalsContact O-N 3.14Å
264	A	90.6	Very high	88.1	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-78.6	-44.2	176.1	0	0	0	0	0	114.1	M241 L260 N261 E262 Y266 S267 L268 H298	M241-A264 HydrophobicContact CB-CB 3.9Å; M241-A264 VanDerWaalsContact CE-CA 3.46Å; M241-A264 HydrophobicContact CE-CB 3.46Å; M241-A264 VanDerWaalsContact CE-CB 3.46Å; M241-A264 HydrophobicContact CG-CB 4.5Å; M241-A264 HydrophobicContact SD-CB 3.91Å; L260-A264 VanDerWaalsContact O-CB 3.32Å; L260-A264 WeakPolarHBondContact O-CB 3.49Å; L260-A264 PolarHBondContact O-N 3.23Å; N261-A264 PolarHBondContact O-N 2.74Å; E262-A264 PolarHBondContact O-N 3.34Å; A264-Y266 VanDerWaalsContact C-N 3.27Å; A264-Y266 PolarHBondContact O-N 2.78Å; A264-S267 WeakPolarHBondContact O-CB 3.5Å; A264-S267 PolarHBondContact O-N 3.46Å; A264-L268 PolarHBondContact O-N 3.33Å; A264-H298 WeakPolarHBondContact CB-CE1 3.45Å; A264-H298 VanDerWaalsContact CB-ND1 3.34Å; A264-H298 WeakPolarHBondContact CB-ND1 3.32Å; A264-H298 VanDerWaalsContact CB-NE2 3.25Å; A264-H298 WeakPolarHBondContact CB-NE2 3.34Å
265	I	88	Confident	88.2	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-54.9	-49.4	170.4	-68.3	167.5	0	0	0	108.7	I171 V172 N261 E262 S267 L268 E269 H298 R299 H302	I171-I265 HydrophobicContact CB-CG2 4.22Å; I171-I265 HydrophobicContact CD1-CG2 4.1Å; I171-I265 HydrophobicContact CG2-CG2 4.25Å; V172-I265 HydrophobicContact CB-CG2 4.42Å; V172-I265 HydrophobicContact CG2-CB 3.91Å; V172-I265 HydrophobicContact CG2-CD1 4.47Å; V172-I265 HydrophobicContact CG2-CG2 3.58Å; N261-I265 WeakPolarHBondContact O-CG1 3.35Å; N261-I265 PolarHBondContact O-N 3.25Å; E262-I265 PolarHBondContact O-N 3.46Å; I265-S267 VanDerWaalsContact C-N 3.26Å; I265-S267 PolarHBondContact O-N 3.21Å; I265-L268 WeakPolarHBondContact O-CA 3.5Å; I265-L268 WeakPolarHBondContact O-CB 3.4Å; I265-L268 PolarHBondContact O-N 2.9Å; I265-E269 HydrophobicContact CG2-CG 4.18Å; I265-E269 WeakPolarHBondContact O-CG 3.33Å; I265-E269 PolarHBondContact O-N 3.22Å; I265-H298 HydrophobicContact CG1-CB 4.12Å; I265-R299 HydrophobicContact CD1-CG 4.31Å; I265-H302 HydrophobicContact CD1-CB 3.76Å
266	Y	89.1	Confident	88.2	Confident	30 Å²	30	27.5 Å²	27.5	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-36.8	176.2	178.1	-99.4	0	0	0	113.3	T168 R174 W178 Y181 Y236 E262 A264 E269 C270	T168-Y266 HydrophobicContact CG2-CE2 4.46Å; R174-Y266 HydrophobicContact CB-CD2 4.19Å; R174-Y266 HydrophobicContact CB-CE1 4.2Å; R174-Y266 HydrophobicContact CB-CE2 3.76Å; R174-Y266 HydrophobicContact CG-CE1 4.29Å; W178-Y266 HydrophobicContact CE3-CD1 4.41Å; W178-Y266 HydrophobicContact CZ3-CD1 4.15Å; W178-Y266 AromaticContact CZ3-CG 3.94Å; W178-Y266 HydrophobicContact CZ3-CG 3.94Å; Y181-Y266 HydrophobicContact CD2-CE1 4.27Å; Y181-Y266 HydrophobicContact CG-CE1 4.2Å; Y236-Y266 AromaticContact CE1-CD1 3.97Å; Y236-Y266 HydrophobicContact CE1-CD1 3.97Å; Y236-Y266 HydrophobicContact CE1-CE1 4.48Å; E262-Y266 WeakPolarHBondContact O-CB 3.33Å; E262-Y266 PolarHBondContact O-N 3.14Å; A264-Y266 VanDerWaalsContact C-N 3.27Å; A264-Y266 PolarHBondContact O-N 2.78Å; Y266-E269 PolarHBondContact O-N 2.96Å; Y266-C270 WeakPolarHBondContact O-CB 3.24Å; Y266-C270 PolarHBondContact O-N 3.45Å; Y266-C270 PolarHBondContact O-SG 3.12Å
267	S	90.7	Very high	87.8	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.3	-38.4	173.2	-168.9	0	0	0	0	113.1	M263 A264 I265 S271	M263-S267 PolarHBondContact O-N 2.96Å; M263-S267 VanDerWaalsContact O-N 3.14Å; A264-S267 WeakPolarHBondContact O-CB 3.5Å; A264-S267 PolarHBondContact O-N 3.46Å; I265-S267 VanDerWaalsContact C-N 3.26Å; I265-S267 PolarHBondContact O-N 3.21Å; S267-S271 PolarHBondContact O-N 2.98Å; S267-S271 PolarHBondContact O-OG 3.35Å
268	L	89.9	Confident	87.4	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-42.6	176.3	-72	153.4	0	0	0	110.3	L186 F202 V238 A264 I265 C270 S271 F272 Q294 H298	L186-L268 HydrophobicContact CD2-CD2 3.98Å; F202-L268 HydrophobicContact CD1-CD2 4.47Å; F202-L268 HydrophobicContact CE1-CD2 3.86Å; F202-L268 HydrophobicContact CE2-CD2 4.07Å; F202-L268 HydrophobicContact CZ-CB 4.28Å; F202-L268 HydrophobicContact CZ-CD2 3.62Å; V238-L268 HydrophobicContact CG1-CD1 4.07Å; V238-L268 HydrophobicContact CG1-CD2 4.38Å; V238-L268 HydrophobicContact CG1-CG 4.23Å; A264-L268 PolarHBondContact O-N 3.33Å; I265-L268 WeakPolarHBondContact O-CA 3.5Å; I265-L268 WeakPolarHBondContact O-CB 3.4Å; I265-L268 PolarHBondContact O-N 2.9Å; L268-C270 PolarHBondContact O-N 2.9Å; L268-S271 CarbonylContact O-C 3.54Å; L268-S271 WeakPolarHBondContact O-CA 3.41Å; L268-S271 WeakPolarHBondContact O-CB 3.48Å; L268-S271 PolarHBondContact O-N 3.16Å; L268-F272 HydrophobicContact CB-CE1 4.38Å; L268-F272 WeakPolarHBondContact O-CD1 3.49Å; L268-F272 WeakPolarHBondContact O-CE1 3.38Å; L268-F272 PolarHBondContact O-N 2.72Å; L268-F272 VanDerWaalsContact O-N 3.15Å; L268-Q294 HydrophobicContact CD2-CB 4.42Å; L268-H298 HydrophobicContact CD1-CB 4.19Å
269	E	87.8	Confident	87	Confident	25 Å²	25	27.3 Å²	27.3	12%	0.117	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-42.6	175.8	-60	-153.6	95.8	0	0	112.2	G170 I171 V172 I265 Y266 S271 F272	G170-E269 WeakPolarHBondContact CA-OE1 3.39Å; I171-E269 HydrophobicContact CD1-CG 4.38Å; I171-E269 WeakPolarHBondContact CG1-OE1 3.35Å; I171-E269 PolarHBondContact N-OE1 2.93Å; I171-E269 PolarHBondContact N-OE2 3.35Å; V172-E269 PolarHBondContact N-OE2 3.34Å; I265-E269 HydrophobicContact CG2-CG 4.18Å; I265-E269 WeakPolarHBondContact O-CG 3.33Å; I265-E269 PolarHBondContact O-N 3.22Å; Y266-E269 PolarHBondContact O-N 2.96Å; E269-S271 PolarHBondContact O-N 3.37Å; E269-S271 VanDerWaalsContact O-N 3.1Å; E269-F272 HydrophobicContact CB-CD2 4.25Å; E269-F272 HydrophobicContact CB-CE2 3.98Å; E269-F272 HydrophobicContact CB-CZ 4.28Å; E269-F272 HydrophobicContact CG-CD2 4.47Å; E269-F272 HydrophobicContact CG-CE2 3.71Å; E269-F272 HydrophobicContact CG-CZ 3.81Å; E269-F272 WeakPolarHBondContact O-CB 3.26Å; E269-F272 PolarHBondContact O-N 3.06Å; E269-F272 VanDerWaalsContact O-N 3.13Å
270	C	88.9	Confident	86.2	Confident	54 Å²	54	26.4 Å²	26.4	37%	0.365	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-3.9	174.4	-68.2	0	0	0	0	114.2	Y181 Y266 L268	Y181-C270 HydrophobicContact CD1-CB 4.29Å; Y181-C270 HydrophobicContact CE1-CB 3.53Å; Y181-C270 HydrophobicContact CE2-CB 4.08Å; Y181-C270 VanDerWaalsContact CZ-CB 3.41Å; Y181-C270 WeakPolarHBondContact OH-CB 3.25Å; Y266-C270 WeakPolarHBondContact O-CB 3.24Å; Y266-C270 PolarHBondContact O-N 3.45Å; Y266-C270 PolarHBondContact O-SG 3.12Å; L268-C270 PolarHBondContact O-N 2.9Å
271	S	89.4	Confident	85.5	Confident	8 Å²	8	25.8 Å²	25.8	6%	0.056	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-1.4	174.4	-73.2	0	0	0	0	113.2	L186 M188 S267 L268 E269	L186-S271 PolarHBondContact O-OG 3.16Å; M188-S271 WeakPolarHBondContact CB-O 3.3Å; M188-S271 PolarHBondContact N-O 3.25Å; S267-S271 PolarHBondContact O-N 2.98Å; S267-S271 PolarHBondContact O-OG 3.35Å; L268-S271 CarbonylContact O-C 3.54Å; L268-S271 WeakPolarHBondContact O-CA 3.41Å; L268-S271 WeakPolarHBondContact O-CB 3.48Å; L268-S271 PolarHBondContact O-N 3.16Å; E269-S271 PolarHBondContact O-N 3.37Å; E269-S271 VanDerWaalsContact O-N 3.1Å
272	F	89.4	Confident	85.2	Confident	40 Å²	40	28 Å²	28	18%	0.175	17%	0.169	C	C	.	.			trans	-61.9	149.2	177.4	-69.6	-13.2	0	0	0	112.5	M188 F202 L268 E269 F276	M188-F272 HydrophobicContact CE-CD1 3.84Å; M188-F272 HydrophobicContact CE-CE1 4.45Å; F202-F272 HydrophobicContact CE1-CD1 4.46Å; F202-F272 AromaticContact CZ-CD1 3.96Å; F202-F272 HydrophobicContact CZ-CD1 3.96Å; F202-F272 HydrophobicContact CZ-CE1 4Å; L268-F272 HydrophobicContact CB-CE1 4.38Å; L268-F272 WeakPolarHBondContact O-CD1 3.49Å; L268-F272 WeakPolarHBondContact O-CE1 3.38Å; L268-F272 PolarHBondContact O-N 2.72Å; L268-F272 VanDerWaalsContact O-N 3.15Å; E269-F272 HydrophobicContact CB-CD2 4.25Å; E269-F272 HydrophobicContact CB-CE2 3.98Å; E269-F272 HydrophobicContact CB-CZ 4.28Å; E269-F272 HydrophobicContact CG-CD2 4.47Å; E269-F272 HydrophobicContact CG-CE2 3.71Å; E269-F272 HydrophobicContact CG-CZ 3.81Å; E269-F272 WeakPolarHBondContact O-CB 3.26Å; E269-F272 PolarHBondContact O-N 3.06Å; E269-F272 VanDerWaalsContact O-N 3.13Å; F272-F276 HydrophobicContact CB-CD1 4.07Å; F272-F276 AromaticContact CD1-CD1 3.87Å; F272-F276 HydrophobicContact CD1-CD1 3.87Å; F272-F276 AromaticContact CD1-CE1 3.83Å; F272-F276 HydrophobicContact CD1-CE1 3.83Å; F272-F276 AromaticContact CD2-CD1 3.79Å; F272-F276 HydrophobicContact CD2-CD1 3.79Å; F272-F276 HydrophobicContact CD2-CE1 4.05Å; F272-F276 HydrophobicContact CE1-CD1 4.24Å; F272-F276 AromaticContact CE1-CE1 3.73Å; F272-F276 HydrophobicContact CE1-CE1 3.73Å; F272-F276 HydrophobicContact CE2-CD1 4.17Å; F272-F276 AromaticContact CE2-CE1 3.96Å; F272-F276 HydrophobicContact CE2-CE1 3.96Å; F272-F276 AromaticContact CG-CD1 3.64Å; F272-F276 HydrophobicContact CG-CD1 3.64Å; F272-F276 HydrophobicContact CG-CE1 4Å; F272-F276 HydrophobicContact CZ-CD1 4.38Å; F272-F276 AromaticContact CZ-CE1 3.8Å; F272-F276 HydrophobicContact CZ-CE1 3.8Å
273	H	89	Confident	85.1	Confident	60 Å²	60	26.9 Å²	26.9	28%	0.278	16%	0.164	S	C	.	.			trans	-74.8	147.4	170.6	-170.9	-100.6	0	0	0	110.4	M188 F200 C275 F276	M188-H273 HydrophobicContact CB-CB 4.27Å; M188-H273 HydrophobicContact CG-CB 4Å; M188-H273 HydrophobicContact SD-CB 3.89Å; M188-H273 PolarHBondContact SD-N 3.42Å; M188-H273 VanDerWaalsContact SD-N 3.43Å; F200-H273 HydrophobicContact CD1-CB 3.97Å; F200-H273 HydrophobicContact CE1-CB 3.85Å; F200-H273 AromaticContact CE1-CG 3.94Å; F200-H273 AromaticContact CE1-ND1 3.61Å; H273-C275 PolarHBondContact ND1-N 2.88Å; H273-C275 PolarHBondContact O-N 2.82Å; H273-C275 VanDerWaalsContact O-N 3.07Å; H273-F276 HydrophobicContact CB-CB 4.31Å; H273-F276 WeakPolarHBondContact O-CB 3.33Å; H273-F276 PolarHBondContact O-N 3.3Å
274	S	86.7	Confident	84.9	Confident	116 Å²	116	28 Å²	28	81%	0.811	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.2	-176.7	53.8	0	0	0	0	114.8
275	C	85.6	Confident	84.8	Confident	52 Å²	52	28 Å²	28	35%	0.351	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-2.5	175.3	-54.7	0	0	0	0	114.2	F200 H273	F200-C275 HydrophobicContact CE1-CB 4.47Å; F200-C275 HydrophobicContact CZ-CB 4.16Å; H273-C275 PolarHBondContact ND1-N 2.88Å; H273-C275 PolarHBondContact O-N 2.82Å; H273-C275 VanDerWaalsContact O-N 3.07Å
276	F	85.5	Confident	84.7	Confident	10 Å²	10	30.9 Å²	30.9	4%	0.044	18%	0.182	C	C	.	.			trans	-87.8	115.1	-178.2	176.5	-100	0	0	0	110.4	M188 F200 F272 H273 I278 C283 L328	M188-F276 HydrophobicContact CE-CD1 3.93Å; M188-F276 HydrophobicContact CE-CD2 4.04Å; M188-F276 HydrophobicContact CE-CE1 3.99Å; M188-F276 HydrophobicContact CE-CE2 4.09Å; M188-F276 HydrophobicContact CE-CG 3.95Å; M188-F276 HydrophobicContact CE-CZ 4.05Å; M188-F276 HydrophobicContact SD-CB 3.64Å; M188-F276 HydrophobicContact SD-CD1 4.02Å; M188-F276 HydrophobicContact SD-CD2 3.81Å; M188-F276 HydrophobicContact SD-CE2 4.44Å; M188-F276 HydrophobicContact SD-CG 3.55Å; M188-F276 VanDerWaalsContact SD-CG 3.55Å; F200-F276 HydrophobicContact CB-CD2 4.35Å; F200-F276 HydrophobicContact CD1-CB 4.35Å; F200-F276 HydrophobicContact CD2-CB 4.43Å; F200-F276 AromaticContact CD2-CD2 3.56Å; F200-F276 HydrophobicContact CD2-CD2 3.56Å; F200-F276 HydrophobicContact CD2-CE2 4.36Å; F200-F276 HydrophobicContact CD2-CG 4.47Å; F200-F276 HydrophobicContact CE1-CB 4.14Å; F200-F276 HydrophobicContact CE2-CB 4.18Å; F200-F276 AromaticContact CE2-CD2 3.9Å; F200-F276 HydrophobicContact CE2-CD2 3.9Å; F200-F276 HydrophobicContact CG-CB 4.49Å; F200-F276 AromaticContact CG-CD2 3.93Å; F200-F276 HydrophobicContact CG-CD2 3.93Å; F200-F276 HydrophobicContact CZ-CB 4.04Å; F272-F276 HydrophobicContact CB-CD1 4.07Å; F272-F276 AromaticContact CD1-CD1 3.87Å; F272-F276 HydrophobicContact CD1-CD1 3.87Å; F272-F276 AromaticContact CD1-CE1 3.83Å; F272-F276 HydrophobicContact CD1-CE1 3.83Å; F272-F276 AromaticContact CD2-CD1 3.79Å; F272-F276 HydrophobicContact CD2-CD1 3.79Å; F272-F276 HydrophobicContact CD2-CE1 4.05Å; F272-F276 HydrophobicContact CE1-CD1 4.24Å; F272-F276 AromaticContact CE1-CE1 3.73Å; F272-F276 HydrophobicContact CE1-CE1 3.73Å; F272-F276 HydrophobicContact CE2-CD1 4.17Å; F272-F276 AromaticContact CE2-CE1 3.96Å; F272-F276 HydrophobicContact CE2-CE1 3.96Å; F272-F276 AromaticContact CG-CD1 3.64Å; F272-F276 HydrophobicContact CG-CD1 3.64Å; F272-F276 HydrophobicContact CG-CE1 4Å; F272-F276 HydrophobicContact CZ-CD1 4.38Å; F272-F276 AromaticContact CZ-CE1 3.8Å; F272-F276 HydrophobicContact CZ-CE1 3.8Å; H273-F276 HydrophobicContact CB-CB 4.31Å; H273-F276 WeakPolarHBondContact O-CB 3.33Å; H273-F276 PolarHBondContact O-N 3.3Å; F276-I278 HydrophobicContact CE1-CB 4.02Å; F276-I278 HydrophobicContact CE1-CG1 4.44Å; F276-I278 HydrophobicContact CZ-CB 4.23Å; F276-I278 HydrophobicContact CZ-CG1 4.25Å; F276-C283 HydrophobicContact CD2-CB 3.89Å; F276-C283 HydrophobicContact CE2-CB 3.98Å; F276-L328 HydrophobicContact CE2-CD2 3.73Å; F276-L328 HydrophobicContact CZ-CD2 3.73Å
277	T	81.6	Confident	84.6	Confident	53 Å²	53	29.7 Å²	29.7	33%	0.325	18%	0.178	S	C	.	.			trans	-121.2	98.7	-179.6	-54.7	0	0	0	0	108.2	Y135 T279 G280 C283	Y135-T277 HydrophobicContact CE2-CG2 4.32Å; T277-T279 WeakPolarHBondContact CG2-OG1 3.28Å; T277-T279 PolarHBondContact O-N 3.19Å; T277-T279 VanDerWaalsContact O-N 3.16Å; T277-G280 WeakPolarHBondContact O-CA 3.17Å; T277-G280 PolarHBondContact O-N 3.34Å; T277-C283 PolarHBondContact N-SG 3.44Å
278	I	77.4	Confident	84.3	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.7	-175.5	-158.6	178.3	0	0	0	112.7	Y135 I171 F276 G280 P324 L328	Y135-I278 HydrophobicContact CE1-CG2 4.1Å; I171-I278 HydrophobicContact CD1-CD1 4.36Å; F276-I278 HydrophobicContact CE1-CB 4.02Å; F276-I278 HydrophobicContact CE1-CG1 4.44Å; F276-I278 HydrophobicContact CZ-CB 4.23Å; F276-I278 HydrophobicContact CZ-CG1 4.25Å; I278-G280 VanDerWaalsContact C-N 3.29Å; I278-P324 HydrophobicContact CD1-CB 4.14Å; I278-P324 HydrophobicContact CG1-CB 3.94Å; I278-L328 HydrophobicContact CD1-CD1 4.13Å; I278-L328 HydrophobicContact CG1-CD1 4.2Å; I278-L328 HydrophobicContact CG1-CD2 4.34Å; I278-L328 HydrophobicContact CG1-CG 4.36Å
279	T	74.6	Confident	84	Confident	17 Å²	17	34.1 Å²	34.1	10%	0.104	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.5	175.5	58.2	0	0	0	0	114	V133 Y135 L138 T277	V133-T279 WeakPolarHBondContact O-CB 3.42Å; V133-T279 WeakPolarHBondContact O-CG2 3.45Å; Y135-T279 HydrophobicContact CD1-CG2 4.21Å; Y135-T279 HydrophobicContact CD2-CG2 3.66Å; Y135-T279 HydrophobicContact CE1-CG2 4.23Å; Y135-T279 HydrophobicContact CE2-CG2 3.67Å; Y135-T279 WeakPolarHBondContact CE2-OG1 3.38Å; Y135-T279 HydrophobicContact CG-CG2 3.94Å; L138-T279 HydrophobicContact CD1-CG2 3.78Å; T277-T279 WeakPolarHBondContact CG2-OG1 3.28Å; T277-T279 PolarHBondContact O-N 3.19Å; T277-T279 VanDerWaalsContact O-N 3.16Å
280	G	71.9	Confident	83.9	Confident	27 Å²	27	33.7 Å²	33.7	28%	0.278	20%	0.201	S	C	.	.	S	Bend	trans	-86.4	-22	-165	0	0	0	0	0	115.4	T277 I278 D282	T277-G280 WeakPolarHBondContact O-CA 3.17Å; T277-G280 PolarHBondContact O-N 3.34Å; I278-G280 VanDerWaalsContact C-N 3.29Å; G280-D282 PolarHBondContact O-N 2.97Å; G280-D282 VanDerWaalsContact O-N 3.11Å
281	G	76.2	Confident	83.8	Confident	6 Å²	6	32.3 Å²	32.3	6%	0.062	19%	0.19	C	C	.	.	S	Bend	trans	71.8	-16.3	-169.4	0	0	0	0	0	114.5	R284	G281-R284 PolarHBondContact O-NH1 3.5Å; G281-R284 PolarHBondContact O-NH2 2.98Å
282	D	80.3	Confident	83.8	Confident	46 Å²	46	31.9 Å²	31.9	25%	0.246	19%	0.187	C	C	.	.	S	Bend	trans	-93.3	-11	-174.2	71.5	-31.3	0	0	0	115	K198 G280	K198-D282 WeakPolarHBondContact CD-OD2 3.27Å; K198-D282 VanDerWaalsContact CE-OD2 3.25Å; K198-D282 WeakPolarHBondContact CE-OD2 3.37Å; K198-D282 PolarHBondContact N-O 3.15Å; K198-D282 IonicContact NZ-OD2 2.64Å; K198-D282 PolarHBondContact NZ-OD2 3.29Å; G280-D282 PolarHBondContact O-N 2.97Å; G280-D282 VanDerWaalsContact O-N 3.11Å
283	C	84	Confident	83.7	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.2	-177.8	-62.6	0	0	0	0	111.2	K198 F200 F276 T277	K198-C283 CarbonylContact O-C 3.6Å; K198-C283 WeakPolarHBondContact O-CA 3.39Å; F200-C283 HydrophobicContact CD2-CB 4.32Å; F200-C283 HydrophobicContact CE2-CB 4.11Å; F276-C283 HydrophobicContact CD2-CB 3.89Å; F276-C283 HydrophobicContact CE2-CB 3.98Å; T277-C283 PolarHBondContact N-SG 3.44Å
284	R	86.1	Confident	83.5	Confident	37 Å²	37	27.3 Å²	27.3	14%	0.14	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.3	173.8	-64.4	-68.1	176	-78.2	-8.1	111.1	L197 K198 Q199 F200 G281 N327 L328	L197-R284 HydrophobicContact CB-CG 4.32Å; L197-R284 HydrophobicContact CD1-CG 3.98Å; K198-R284 PolarHBondContact O-N 3.19Å; Q199-R284 WeakPolarHBondContact CA-O 3.38Å; Q199-R284 HydrophobicContact CG-CB 4.13Å; F200-R284 PolarHBondContact N-O 2.86Å; G281-R284 PolarHBondContact O-NH1 3.5Å; G281-R284 PolarHBondContact O-NH2 2.98Å; R284-N327 PolarHBondContact NH1-O 3.05Å; R284-L328 WeakPolarHBondContact CA-O 3.29Å; R284-L328 VanDerWaalsContact CD-O 3.23Å; R284-L328 WeakPolarHBondContact CD-O 3.39Å
285	L	88.1	Confident	83.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	100.1	-174.6	-173.9	77	0	0	0	109.4	F200 F202 Y287 N292 Y296 L328	F200-L285 HydrophobicContact CB-CD1 4.4Å; F202-L285 HydrophobicContact CD2-CD1 4.32Å; F202-L285 HydrophobicContact CE2-CD2 4.42Å; L285-Y287 PolarHBondContact O-N 3.2Å; L285-N292 HydrophobicContact CD1-CB 4.12Å; L285-N292 VanDerWaalsContact CD1-CG 3.44Å; L285-N292 WeakPolarHBondContact CD1-OD1 3.19Å; L285-N292 HydrophobicContact CD2-CB 4.19Å; L285-N292 HydrophobicContact CG-CB 3.86Å; L285-Y296 HydrophobicContact CB-CE2 4.28Å; L285-Y296 HydrophobicContact CD2-CD2 4.2Å; L285-Y296 HydrophobicContact CD2-CE2 3.79Å; L285-Y296 HydrophobicContact CG-CE2 4.1Å; L285-Y296 VanDerWaalsContact O-CE2 3.28Å; L285-Y296 WeakPolarHBondContact O-CE2 3.31Å; L285-Y296 PolarHBondContact O-OH 2.81Å; L285-L328 HydrophobicContact CB-CB 4.27Å; L285-L328 HydrophobicContact CB-CD2 3.9Å; L285-L328 HydrophobicContact CD2-CD1 4.26Å; L285-L328 PolarHBondContact N-O 3.16Å; L285-L328 VanDerWaalsContact N-O 3.09Å
286	D	87.3	Confident	83.2	Confident	59 Å²	59	19.5 Å²	19.5	32%	0.316	11%	0.111	S	C	.	.			trans	-54.1	132.4	-179.8	156.8	53.9	0	0	0	112.2	N288 S289 N292	D286-N288 WeakPolarHBondContact OD1-CB 3.3Å; D286-N288 PolarHBondContact OD1-N 3.01Å; D286-S289 WeakPolarHBondContact OD2-CB 3.29Å; D286-S289 PolarHBondContact OD2-N 3.35Å; D286-S289 PolarHBondContact OD2-OG 3.45Å; D286-N292 WeakPolarHBondContact O-CB 3.42Å; D286-N292 PolarHBondContact O-ND2 2.75Å
287	Y	87	Confident	83	Confident	5 Å²	5	19 Å²	19	2%	0.02	11%	0.109	C	C	.	.	S	Bend	trans	-85.5	-19.7	178.1	-174.6	-93.6	0	0	0	113.7	L285 S289 R293 Y296 P334 L335 P536	L285-Y287 PolarHBondContact O-N 3.2Å; Y287-S289 PolarHBondContact O-N 2.98Å; Y287-R293 HydrophobicContact CD1-CG 4.21Å; Y287-R293 HydrophobicContact CD2-CB 4.41Å; Y287-R293 HydrophobicContact CD2-CG 3.85Å; Y287-R293 HydrophobicContact CE1-CG 4.08Å; Y287-R293 HydrophobicContact CE2-CB 4.01Å; Y287-R293 HydrophobicContact CE2-CG 3.7Å; Y287-R293 HydrophobicContact CG-CG 4.09Å; Y287-R293 WeakPolarHBondContact O-CG 3.23Å; Y287-R293 PolarHBondContact O-NE 3Å; Y287-Y296 HydrophobicContact CD2-CD1 4.5Å; Y287-Y296 AromaticContact CD2-CD2 3.7Å; Y287-Y296 HydrophobicContact CD2-CD2 3.7Å; Y287-Y296 HydrophobicContact CD2-CE2 4.13Å; Y287-Y296 AromaticContact CD2-CG 3.89Å; Y287-Y296 HydrophobicContact CD2-CG 3.89Å; Y287-Y296 HydrophobicContact CE2-CD2 4.43Å; Y287-Y296 HydrophobicContact CE2-CG 4.31Å; Y287-P334 HydrophobicContact CD1-CB 3.59Å; Y287-P334 HydrophobicContact CD2-CB 3.57Å; Y287-P334 HydrophobicContact CD2-CG 3.75Å; Y287-P334 HydrophobicContact CE1-CB 4.15Å; Y287-P334 HydrophobicContact CE2-CB 4.13Å; Y287-P334 HydrophobicContact CG-CB 3.28Å; Y287-P334 HydrophobicContact CG-CG 3.77Å; Y287-L335 HydrophobicContact CE2-CD2 3.81Å; Y287-L335 HydrophobicContact CE2-CG 4.3Å; Y287-P536 HydrophobicContact CD1-CG 4.31Å; Y287-P536 HydrophobicContact CE1-CG 4.35Å
288	N	83.7	Confident	82.9	Confident	65 Å²	65	16.5 Å²	16.5	35%	0.348	9%	0.094	S	C	.	.	S	Bend	trans	-69.9	-25.9	179.1	-63.5	-41.9	0	0	0	111.3	D286 Y290 R293 P536	D286-N288 WeakPolarHBondContact OD1-CB 3.3Å; D286-N288 PolarHBondContact OD1-N 3.01Å; N288-Y290 PolarHBondContact O-N 2.88Å; N288-R293 PolarHBondContact O-NH2 2.94Å; N288-P536 VanDerWaalsContact OD1-CG 3.27Å; N288-P536 WeakPolarHBondContact OD1-CG 3.42Å
289	S	84.5	Confident	83	Confident	30 Å²	30	16.5 Å²	16.5	21%	0.21	9%	0.093	C	C	.	.	S	Bend	trans	-65.6	111.3	164	-65.8	0	0	0	0	113	D286 Y287 E291 N292 R293	D286-S289 WeakPolarHBondContact OD2-CB 3.29Å; D286-S289 PolarHBondContact OD2-N 3.35Å; D286-S289 PolarHBondContact OD2-OG 3.45Å; Y287-S289 PolarHBondContact O-N 2.98Å; S289-E291 VanDerWaalsContact C-N 3.28Å; S289-E291 PolarHBondContact O-N 3.46Å; S289-E291 VanDerWaalsContact O-N 3.14Å; S289-N292 WeakPolarHBondContact O-CB 3.36Å; S289-N292 PolarHBondContact O-N 2.91Å; S289-R293 PolarHBondContact O-N 3.33Å
290	Y	84.7	Confident	82.8	Confident	15 Å²	15	16 Å²	16	6%	0.059	9%	0.092	C	C	.	.	H	α-helix	trans	-41	-50.1	174.6	-172.9	-116.4	0	0	0	114.7	Y204 E212 N239 N288 N292 R293 F531 E539	Y204-Y290 AromaticContact CE2-CD1 3.95Å; Y204-Y290 HydrophobicContact CE2-CD1 3.95Å; Y204-Y290 HydrophobicContact CE2-CE1 4.03Å; Y204-Y290 WeakPolarHBondContact OH-CD1 3.3Å; Y204-Y290 WeakPolarHBondContact OH-CE1 3.33Å; E212-Y290 HydrophobicContact CG-CE1 4.19Å; E212-Y290 WeakPolarHBondContact OE1-CE1 3.21Å; E212-Y290 PolarHBondContact OE1-OH 3.4Å; N239-Y290 PolarHBondContact ND2-OH 3.05Å; N288-Y290 PolarHBondContact O-N 2.88Å; Y290-N292 PolarHBondContact O-N 2.66Å; Y290-R293 PolarHBondContact O-N 3.24Å; Y290-F531 HydrophobicContact CE2-CE2 4.41Å; Y290-F531 WeakPolarHBondContact OH-CE2 3.48Å; Y290-E539 WeakPolarHBondContact CA-OE2 3.38Å; Y290-E539 WeakPolarHBondContact CB-OE1 3.3Å; Y290-E539 VanDerWaalsContact CB-OE2 3.24Å; Y290-E539 WeakPolarHBondContact CB-OE2 3.44Å; Y290-E539 VanDerWaalsContact CD2-OE2 3.31Å; Y290-E539 WeakPolarHBondContact CD2-OE2 3.43Å
291	E	87	Confident	82.9	Confident	25 Å²	25	14.8 Å²	14.8	12%	0.117	8%	0.078	C	C	.	.	H	α-helix	trans	-64.8	-24.1	-174.2	-56.1	100.6	133.6	0	0	112.2	F202 K203 Y204 S289	F202-E291 HydrophobicContact CB-CB 3.77Å; F202-E291 WeakPolarHBondContact CB-O 3.46Å; F202-E291 VanDerWaalsContact O-CB 3.3Å; F202-E291 WeakPolarHBondContact O-CB 3.43Å; K203-E291 IonicContact NZ-OE1 3.73Å; K203-E291 IonicContact NZ-OE2 3.94Å; Y204-E291 HydrophobicContact CD1-CG 4.04Å; Y204-E291 HydrophobicContact CD2-CG 4.07Å; Y204-E291 HydrophobicContact CE1-CB 3.96Å; Y204-E291 HydrophobicContact CE1-CG 3.65Å; Y204-E291 HydrophobicContact CE2-CG 3.69Å; Y204-E291 HydrophobicContact CG-CG 4.22Å; Y204-E291 VanDerWaalsContact CZ-CG 3.45Å; S289-E291 VanDerWaalsContact C-N 3.28Å; S289-E291 PolarHBondContact O-N 3.46Å; S289-E291 VanDerWaalsContact O-N 3.14Å
292	N	89.2	Confident	82.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-80.8	-34.6	178.7	-70.2	-8.4	0	0	0	112.7	A201 F202 L285 D286 S289 Y290 Q294 G295	A201-N292 WeakPolarHBondContact CA-OD1 3.3Å; F202-N292 PolarHBondContact N-OD1 3.48Å; L285-N292 HydrophobicContact CD1-CB 4.12Å; L285-N292 VanDerWaalsContact CD1-CG 3.44Å; L285-N292 WeakPolarHBondContact CD1-OD1 3.19Å; L285-N292 HydrophobicContact CD2-CB 4.19Å; L285-N292 HydrophobicContact CG-CB 3.86Å; D286-N292 WeakPolarHBondContact O-CB 3.42Å; D286-N292 PolarHBondContact O-ND2 2.75Å; S289-N292 WeakPolarHBondContact O-CB 3.36Å; S289-N292 PolarHBondContact O-N 2.91Å; Y290-N292 PolarHBondContact O-N 2.66Å; N292-Q294 PolarHBondContact O-N 3.42Å; N292-Q294 VanDerWaalsContact O-N 3.15Å; N292-G295 PolarHBondContact O-N 3.12Å
293	R	87.8	Confident	82	Confident	2 Å²	2	13 Å²	13	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-55.7	-35.7	-178.8	-58.8	-166.9	-165.2	119.8	22.8	112.2	Y287 N288 S289 Y290 G295 Y296 L297 N532 E539	Y287-R293 HydrophobicContact CD1-CG 4.21Å; Y287-R293 HydrophobicContact CD2-CB 4.41Å; Y287-R293 HydrophobicContact CD2-CG 3.85Å; Y287-R293 HydrophobicContact CE1-CG 4.08Å; Y287-R293 HydrophobicContact CE2-CB 4.01Å; Y287-R293 HydrophobicContact CE2-CG 3.7Å; Y287-R293 HydrophobicContact CG-CG 4.09Å; Y287-R293 WeakPolarHBondContact O-CG 3.23Å; Y287-R293 PolarHBondContact O-NE 3Å; N288-R293 PolarHBondContact O-NH2 2.94Å; S289-R293 PolarHBondContact O-N 3.33Å; Y290-R293 PolarHBondContact O-N 3.24Å; R293-G295 PolarHBondContact O-N 3.01Å; R293-G295 VanDerWaalsContact O-N 3.12Å; R293-Y296 WeakPolarHBondContact O-CB 3.49Å; R293-Y296 PolarHBondContact O-N 2.97Å; R293-L297 HydrophobicContact CB-CD1 4.29Å; R293-L297 VanDerWaalsContact O-CG 3.29Å; R293-L297 WeakPolarHBondContact O-CG 3.33Å; R293-L297 PolarHBondContact O-N 3.29Å; R293-N532 WeakPolarHBondContact CD-OD1 3.4Å; R293-N532 PolarHBondContact NH1-OD1 2.95Å; R293-E539 IonicContact CZ-OE2 2.71Å; R293-E539 IonicContact NH1-OE2 2.71Å; R293-E539 PolarHBondContact NH1-OE2 3.44Å; R293-E539 IonicContact NH2-OE2 3.78Å; R293-E539 PolarHBondContact NH2-OE2 3.02Å
294	Q	85.3	Confident	81.3	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-49.2	-39.9	173.8	-54.2	-163.9	-30.7	0	0	113	Y204 V238 N239 L268 N292 H298	Y204-Q294 PolarHBondContact OH-NE2 3Å; V238-Q294 HydrophobicContact CG1-CB 3.85Å; V238-Q294 HydrophobicContact CG1-CG 4.45Å; N239-Q294 PolarHBondContact ND2-NE2 3.17Å; N239-Q294 WeakPolarHBondContact OD1-CG 3.14Å; N239-Q294 PolarHBondContact OD1-NE2 3.48Å; N239-Q294 VanDerWaalsContact OD1-NE2 3.1Å; L268-Q294 HydrophobicContact CD2-CB 4.42Å; N292-Q294 PolarHBondContact O-N 3.42Å; N292-Q294 VanDerWaalsContact O-N 3.15Å; Q294-H298 WeakPolarHBondContact O-CB 3.19Å; Q294-H298 PolarHBondContact O-N 3.35Å
295	G	82.4	Confident	80.5	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-79.1	-22.7	179.5	0	0	0	0	0	114.6	N292 R293 R299	N292-G295 PolarHBondContact O-N 3.12Å; R293-G295 PolarHBondContact O-N 3.01Å; R293-G295 VanDerWaalsContact O-N 3.12Å; G295-R299 PolarHBondContact O-NE 2.85Å; G295-R299 PolarHBondContact O-NH2 3.38Å
296	Y	83.7	Confident	79.5	Confident	4 Å²	4	12.1 Å²	12.1	2%	0.016	7%	0.069	C	C	.	.	H	α-helix	trans	-77.1	-54	169.5	-77.7	-87.4	0	0	0	110.4	L285 Y287 R293 H298 R299 A300 L325 L328 P334	L285-Y296 HydrophobicContact CB-CE2 4.28Å; L285-Y296 HydrophobicContact CD2-CD2 4.2Å; L285-Y296 HydrophobicContact CD2-CE2 3.79Å; L285-Y296 HydrophobicContact CG-CE2 4.1Å; L285-Y296 VanDerWaalsContact O-CE2 3.28Å; L285-Y296 WeakPolarHBondContact O-CE2 3.31Å; L285-Y296 PolarHBondContact O-OH 2.81Å; Y287-Y296 HydrophobicContact CD2-CD1 4.5Å; Y287-Y296 AromaticContact CD2-CD2 3.7Å; Y287-Y296 HydrophobicContact CD2-CD2 3.7Å; Y287-Y296 HydrophobicContact CD2-CE2 4.13Å; Y287-Y296 AromaticContact CD2-CG 3.89Å; Y287-Y296 HydrophobicContact CD2-CG 3.89Å; Y287-Y296 HydrophobicContact CE2-CD2 4.43Å; Y287-Y296 HydrophobicContact CE2-CG 4.31Å; R293-Y296 WeakPolarHBondContact O-CB 3.49Å; R293-Y296 PolarHBondContact O-N 2.97Å; Y296-H298 PolarHBondContact O-N 3.41Å; Y296-R299 PolarHBondContact O-N 2.99Å; Y296-A300 PolarHBondContact O-N 3.24Å; Y296-L325 HydrophobicContact CD1-CD2 3.79Å; Y296-L325 HydrophobicContact CE1-CD2 4.48Å; Y296-L325 HydrophobicContact CG-CD2 4.42Å; Y296-L328 HydrophobicContact CE1-CB 3.94Å; Y296-L328 HydrophobicContact CE1-CD1 4.5Å; Y296-L328 VanDerWaalsContact OH-CB 3.29Å; Y296-L328 WeakPolarHBondContact OH-CB 3.25Å; Y296-P334 HydrophobicContact CD1-CG 4.25Å; Y296-P334 HydrophobicContact CE1-CG 3.92Å
297	L	81.1	Confident	78.4	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.8	-44.8	-173	-62.4	172.8	0	0	0	113	I242 R293 R299 A300 L301 L335 L515 F531 P533	I242-L297 HydrophobicContact CD1-CB 4.21Å; R293-L297 HydrophobicContact CB-CD1 4.29Å; R293-L297 VanDerWaalsContact O-CG 3.29Å; R293-L297 WeakPolarHBondContact O-CG 3.33Å; R293-L297 PolarHBondContact O-N 3.29Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.43Å; L297-A300 PolarHBondContact O-N 3.37Å; L297-L301 WeakPolarHBondContact O-CB 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.06Å; L297-L301 PolarHBondContact O-N 3.05Å; L297-L335 HydrophobicContact CD2-CD1 4.45Å; L297-L335 HydrophobicContact CD2-CD2 4.05Å; L297-L515 HydrophobicContact CD2-CD1 3.73Å; L297-L515 HydrophobicContact CD2-CD2 4.01Å; L297-L515 HydrophobicContact CD2-CG 4.48Å; L297-F531 WeakPolarHBondContact CD1-O 3.49Å; L297-P533 HydrophobicContact CD2-CG 3.64Å
298	H	79.4	Confident	77.5	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-33.9	178.4	-95.3	-65.4	0	0	0	113.6	V238 I242 A264 I265 L268 Q294 Y296 H302	V238-H298 WeakPolarHBondContact CG1-CD2 3.42Å; V238-H298 WeakPolarHBondContact CG1-NE2 3.44Å; V238-H298 PolarHBondContact O-NE2 2.91Å; I242-H298 WeakPolarHBondContact CD1-CD2 3.4Å; I242-H298 VanDerWaalsContact CD1-NE2 3.31Å; I242-H298 WeakPolarHBondContact CD1-NE2 3.14Å; I242-H298 VanDerWaalsContact CG1-NE2 3.3Å; I242-H298 WeakPolarHBondContact CG1-NE2 3.4Å; I242-H298 PolarHBondContact N-CE1 3.41Å; A264-H298 WeakPolarHBondContact CB-CE1 3.45Å; A264-H298 VanDerWaalsContact CB-ND1 3.34Å; A264-H298 WeakPolarHBondContact CB-ND1 3.32Å; A264-H298 VanDerWaalsContact CB-NE2 3.25Å; A264-H298 WeakPolarHBondContact CB-NE2 3.34Å; I265-H298 HydrophobicContact CG1-CB 4.12Å; L268-H298 HydrophobicContact CD1-CB 4.19Å; Q294-H298 WeakPolarHBondContact O-CB 3.19Å; Q294-H298 PolarHBondContact O-N 3.35Å; Y296-H298 PolarHBondContact O-N 3.41Å; H298-H302 WeakPolarHBondContact O-CB 3.32Å; H298-H302 PolarHBondContact O-N 2.98Å
299	R	78.2	Confident	76.4	Confident	4 Å²	4	14.2 Å²	14.2	2%	0.015	9%	0.085	C	C	.	.	H	α-helix	trans	-74.7	-42.6	175.6	-90.3	-179.1	-76.9	-97.5	6	111.5	I265 G295 Y296 L297 H302 G303 L325	I265-R299 HydrophobicContact CD1-CG 4.31Å; G295-R299 PolarHBondContact O-NE 2.85Å; G295-R299 PolarHBondContact O-NH2 3.38Å; Y296-R299 PolarHBondContact O-N 2.99Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.43Å; R299-H302 PolarHBondContact O-N 3.09Å; R299-G303 PolarHBondContact O-N 3.35Å; R299-L325 HydrophobicContact CB-CD1 3.99Å; R299-L325 HydrophobicContact CB-CD2 3.84Å; R299-L325 HydrophobicContact CB-CG 4.11Å
300	A	71.7	Confident	75.2	Confident	8 Å²	8	16.2 Å²	16.2	7%	0.066	9%	0.09	C	C	.	.	H	α-helix	trans	-62	-46.3	176.2	0	0	0	0	0	112.2	Y296 L297 G303 S304 L325 L335 M337 L515	Y296-A300 PolarHBondContact O-N 3.24Å; L297-A300 PolarHBondContact O-N 3.37Å; A300-G303 PolarHBondContact O-N 2.57Å; A300-S304 PolarHBondContact O-N 3.2Å; A300-S304 PolarHBondContact O-OG 3.29Å; A300-L325 HydrophobicContact CB-CD1 4.27Å; A300-L335 HydrophobicContact CB-CD1 3.73Å; A300-M337 HydrophobicContact CB-SD 4.42Å; A300-L515 HydrophobicContact CB-CD1 4.12Å
301	L	73	Confident	73.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65	-41.7	175.7	-71.2	170.8	0	0	0	112.5	I242 L297 G303 S304 D305 L515 T530	I242-L301 HydrophobicContact CB-CD1 4.36Å; I242-L301 HydrophobicContact CG1-CD1 3.91Å; I242-L301 HydrophobicContact CG2-CD1 3.81Å; L297-L301 WeakPolarHBondContact O-CB 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.06Å; L297-L301 PolarHBondContact O-N 3.05Å; L301-G303 VanDerWaalsContact C-N 3.3Å; L301-G303 PolarHBondContact O-N 2.99Å; L301-S304 PolarHBondContact O-N 3.47Å; L301-S304 PolarHBondContact O-OG 2.85Å; L301-D305 VanDerWaalsContact O-CB 3.25Å; L301-D305 WeakPolarHBondContact O-CB 3.46Å; L301-D305 VanDerWaalsContact O-CG 3.27Å; L301-D305 PolarHBondContact O-N 3.43Å; L301-L515 HydrophobicContact CD1-CD2 4.49Å; L301-L515 HydrophobicContact CD2-CD2 3.67Å; L301-L515 HydrophobicContact CG-CD2 3.87Å; L301-T530 HydrophobicContact CD1-CG2 4.19Å
302	H	70.8	Confident	72.3	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.019	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-41.3	175	-170.5	107	0	0	0	111.1	N261 E262 I265 H298 R299 T306 F317 Q321	N261-H302 HydrophobicContact CB-CB 4.21Å; E262-H302 WeakPolarHBondContact CG-CE1 3.4Å; I265-H302 HydrophobicContact CD1-CB 3.76Å; H298-H302 WeakPolarHBondContact O-CB 3.32Å; H298-H302 PolarHBondContact O-N 2.98Å; R299-H302 PolarHBondContact O-N 3.09Å; H302-T306 PolarHBondContact CD2-OG1 3.14Å; H302-T306 VanDerWaalsContact CD2-OG1 3.31Å; H302-T306 PolarHBondContact NE2-OG1 3.25Å; H302-T306 WeakPolarHBondContact O-CB 3.33Å; H302-T306 PolarHBondContact O-N 3.49Å; H302-T306 PolarHBondContact O-OG1 3.06Å; H302-F317 AromaticContact CD2-CE1 3.54Å; H302-F317 AromaticContact CD2-CZ 3.69Å; H302-F317 AromaticContact NE2-CE1 3.26Å; H302-F317 VanDerWaalsContact NE2-CE1 3.26Å; H302-F317 WeakPolarHBondContact NE2-CE1 3.22Å; H302-F317 AromaticContact NE2-CZ 3.39Å; H302-F317 WeakPolarHBondContact NE2-CZ 3.42Å; H302-Q321 PolarHBondContact CD2-NE2 3.4Å; H302-Q321 PolarHBondContact CD2-OE1 3.48Å
303	G	68	Low	70.8	Confident	11 Å²	11	32.4 Å²	32.4	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-49.1	177.3	0	0	0	0	0	112.4	R299 A300 L301 T306 L307 Q321	R299-G303 PolarHBondContact O-N 3.35Å; A300-G303 PolarHBondContact O-N 2.57Å; L301-G303 VanDerWaalsContact C-N 3.3Å; L301-G303 PolarHBondContact O-N 2.99Å; G303-T306 PolarHBondContact O-N 3.21Å; G303-L307 VanDerWaalsContact O-CB 3.31Å; G303-L307 WeakPolarHBondContact O-CB 3.31Å; G303-L307 PolarHBondContact O-N 3.24Å; G303-Q321 VanDerWaalsContact N-OE1 3.11Å
304	S	68.9	Low	69.5	Low	10 Å²	10	33.8 Å²	33.8	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-45.9	179.3	61	0	0	0	0	112.7	A300 L301 T306 L307 L308 L515	A300-S304 PolarHBondContact O-N 3.2Å; A300-S304 PolarHBondContact O-OG 3.29Å; L301-S304 PolarHBondContact O-N 3.47Å; L301-S304 PolarHBondContact O-OG 2.85Å; S304-T306 PolarHBondContact O-N 3.23Å; S304-L307 PolarHBondContact O-N 2.78Å; S304-L308 WeakPolarHBondContact O-CB 3.36Å; S304-L308 WeakPolarHBondContact O-CD1 3.43Å; S304-L308 WeakPolarHBondContact O-CG 3.32Å; S304-L308 PolarHBondContact O-N 2.64Å; S304-L515 VanDerWaalsContact CB-O 3.29Å; S304-L515 WeakPolarHBondContact CB-O 3.41Å; S304-L515 PolarHBondContact OG-O 3.41Å
305	D	69.1	Low	68.2	Low	10 Å²	10	34.3 Å²	34.3	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-58	-38.7	174.8	-74.7	-16.7	0	0	0	111.6	Y249 N261 L301 A309 K517	Y249-D305 WeakPolarHBondContact CD2-OD1 3.35Å; Y249-D305 WeakPolarHBondContact CE2-OD1 3.33Å; N261-D305 PolarHBondContact ND2-OD2 3.3Å; L301-D305 VanDerWaalsContact O-CB 3.25Å; L301-D305 WeakPolarHBondContact O-CB 3.46Å; L301-D305 VanDerWaalsContact O-CG 3.27Å; L301-D305 PolarHBondContact O-N 3.43Å; D305-A309 WeakPolarHBondContact O-CB 3.42Å; D305-A309 PolarHBondContact O-N 3.23Å; D305-K517 IonicContact OD1-NZ 2.71Å; D305-K517 PolarHBondContact OD1-NZ 2.69Å
306	T	66.4	Low	67.2	Low	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-71.7	-43	-179.9	-62.2	0	0	0	0	112.4	Q258 H302 G303 S304 L308 A309 K310 Q314 F317	Q258-T306 PolarHBondContact NE2-OG1 2.85Å; H302-T306 PolarHBondContact CD2-OG1 3.14Å; H302-T306 VanDerWaalsContact CD2-OG1 3.31Å; H302-T306 PolarHBondContact NE2-OG1 3.25Å; H302-T306 WeakPolarHBondContact O-CB 3.33Å; H302-T306 PolarHBondContact O-N 3.49Å; H302-T306 PolarHBondContact O-OG1 3.06Å; G303-T306 PolarHBondContact O-N 3.21Å; S304-T306 PolarHBondContact O-N 3.23Å; T306-L308 VanDerWaalsContact C-N 3.3Å; T306-L308 PolarHBondContact O-N 2.74Å; T306-A309 PolarHBondContact O-N 3.12Å; T306-K310 PolarHBondContact O-N 3.34Å; T306-Q314 HydrophobicContact CG2-CB 3.51Å; T306-Q314 HydrophobicContact CG2-CG 4.31Å; T306-F317 HydrophobicContact CG2-CD1 3.91Å; T306-F317 HydrophobicContact CG2-CE1 4.07Å
307	L	65.8	Low	66.2	Low	36 Å²	36	35.3 Å²	35.3	19%	0.188	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-36.5	174.7	179.8	66	0	0	0	112.2	G303 S304 I315 I340 Y343 L344 L347	G303-L307 VanDerWaalsContact O-CB 3.31Å; G303-L307 WeakPolarHBondContact O-CB 3.31Å; G303-L307 PolarHBondContact O-N 3.24Å; S304-L307 PolarHBondContact O-N 2.78Å; L307-I315 HydrophobicContact CD1-CG1 4.24Å; L307-I315 HydrophobicContact CD1-CG2 4.14Å; L307-I340 HydrophobicContact CD2-CD1 4.06Å; L307-Y343 HydrophobicContact CD2-CE1 4.34Å; L307-L344 HydrophobicContact CD1-CD2 3.89Å; L307-L344 HydrophobicContact CD2-CD2 4.11Å; L307-L347 HydrophobicContact CD1-CD1 4.13Å
308	L	66.4	Low	65.1	Low	95 Å²	95	35.4 Å²	35.4	50%	0.497	18%	0.179	S	C	.	.	H	α-helix	trans	-77.9	-35.6	178.9	-68.4	166.6	0	0	0	112.3	Y249 S304 T306 K517	Y249-L308 HydrophobicContact CE2-CD1 4.39Å; S304-L308 WeakPolarHBondContact O-CB 3.36Å; S304-L308 WeakPolarHBondContact O-CD1 3.43Å; S304-L308 WeakPolarHBondContact O-CG 3.32Å; S304-L308 PolarHBondContact O-N 2.64Å; T306-L308 VanDerWaalsContact C-N 3.3Å; T306-L308 PolarHBondContact O-N 2.74Å; L308-K517 HydrophobicContact CD1-CD 4.28Å
309	A	62.1	Low	64.2	Low	42 Å²	42	35.6 Å²	35.6	35%	0.347	18%	0.18	S	C	.	.	H	α-helix	trans	-83	-32.8	-172.8	0	0	0	0	0	115.3	D305 T306	D305-A309 WeakPolarHBondContact O-CB 3.42Å; D305-A309 PolarHBondContact O-N 3.23Å; T306-A309 PolarHBondContact O-N 3.12Å
310	K	58.7	Low	63.4	Low	73 Å²	73	36.6 Å²	36.6	32%	0.317	19%	0.186	S	C	.	.			trans	-139.8	135.3	-164.2	-63.6	167.7	-176.6	159.5	0	112.2	T306 Q314	T306-K310 PolarHBondContact O-N 3.34Å; K310-Q314 HydrophobicContact CB-CB 4.23Å; K310-Q314 VanDerWaalsContact CB-CD 3.48Å; K310-Q314 HydrophobicContact CB-CG 3.87Å; K310-Q314 VanDerWaalsContact CB-OE1 3.29Å; K310-Q314 HydrophobicContact CD-CG 4.23Å
311	R	53.6	Low	63.1	Low	232 Å²	232	36.3 Å²	36.3	88%	0.875	18%	0.183	S	C	*	.	S	Bend	trans	-86.8	-22.9	-150.7	-79.9	-168.2	-179.7	-172.4	0.6	119.1	I315	R311-I315 VanDerWaalsContact O-CD1 3.24Å; R311-I315 WeakPolarHBondContact O-CD1 3.33Å
312	L	56	Low	62.9	Low	125 Å²	125	36.6 Å²	36.6	65%	0.654	19%	0.185	S	C	*	.	S	Bend	trans	-143.8	-68.7	-175.3	-76.9	177.6	0	0	0	114.2	Q314 I315	L312-Q314 PolarHBondContact O-N 3Å; L312-I315 WeakPolarHBondContact O-CB 3.5Å; L312-I315 WeakPolarHBondContact O-CG1 3.44Å; L312-I315 PolarHBondContact O-N 2.73Å
313	P	58.1	Low	62.9	Low	23 Å²	23	36.7 Å²	36.7	15%	0.149	19%	0.186	C	C	.	.	H	α-helix	trans	-62.5	-19.1	-174	-23.2	33.3	0	0	0	115.4	I144 M147 I315	I144-P313 HydrophobicContact CD1-CB 4.15Å; I144-P313 HydrophobicContact CG1-CB 3.49Å; I144-P313 VanDerWaalsContact CG1-CB 3.49Å; I144-P313 HydrophobicContact CG1-CG 4.17Å; M147-P313 HydrophobicContact CE-CB 3.91Å; M147-P313 HydrophobicContact CE-CG 3.95Å; M147-P313 HydrophobicContact SD-CG 4.18Å; P313-I315 VanDerWaalsContact C-N 3.35Å
314	Q	61	Low	63	Low	30 Å²	30	36.2 Å²	36.2	14%	0.14	18%	0.181	C	C	.	.	H	α-helix	trans	-89	-6.5	-178.3	-53.5	79.4	10.8	0	0	112.4	P140 I144 T306 K310 L312 G318	P140-Q314 HydrophobicContact CB-CG 4.49Å; I144-Q314 HydrophobicContact CD1-CG 4.4Å; T306-Q314 HydrophobicContact CG2-CB 3.51Å; T306-Q314 HydrophobicContact CG2-CG 4.31Å; K310-Q314 HydrophobicContact CB-CB 4.23Å; K310-Q314 VanDerWaalsContact CB-CD 3.48Å; K310-Q314 HydrophobicContact CB-CG 3.87Å; K310-Q314 VanDerWaalsContact CB-OE1 3.29Å; K310-Q314 HydrophobicContact CD-CG 4.23Å; L312-Q314 PolarHBondContact O-N 3Å; Q314-G318 PolarHBondContact O-N 2.91Å
315	I	57.4	Low	63.3	Low	12 Å²	12	36 Å²	36	6%	0.062	18%	0.179	C	C	.	.	H	α-helix	trans	-80.2	-32.9	176.8	-52.1	-179.2	0	0	0	110.7	L307 R311 L312 P313 F317 G318 V319 L344 L347 N348	L307-I315 HydrophobicContact CD1-CG1 4.24Å; L307-I315 HydrophobicContact CD1-CG2 4.14Å; R311-I315 VanDerWaalsContact O-CD1 3.24Å; R311-I315 WeakPolarHBondContact O-CD1 3.33Å; L312-I315 WeakPolarHBondContact O-CB 3.5Å; L312-I315 WeakPolarHBondContact O-CG1 3.44Å; L312-I315 PolarHBondContact O-N 2.73Å; P313-I315 VanDerWaalsContact C-N 3.35Å; I315-F317 VanDerWaalsContact C-N 3.3Å; I315-F317 PolarHBondContact O-N 3.48Å; I315-G318 WeakPolarHBondContact O-CA 3.32Å; I315-G318 PolarHBondContact O-N 2.66Å; I315-V319 PolarHBondContact O-N 3.34Å; I315-L344 HydrophobicContact CG2-CD2 4.2Å; I315-L347 HydrophobicContact CD1-CD1 4.4Å; I315-L347 HydrophobicContact CG2-CB 3.68Å; I315-L347 HydrophobicContact CG2-CD1 3.75Å; I315-L347 HydrophobicContact CG2-CG 4.36Å; I315-N348 PolarHBondContact O-ND2 2.74Å
316	S	62	Low	63.6	Low	23 Å²	23	35.5 Å²	35.5	16%	0.161	18%	0.176	C	C	.	.	H	α-helix	trans	-54.4	-53.1	167.9	-29	0	0	0	0	109.1	E143 G318 V319 L320 N348	E143-S316 WeakPolarHBondContact OE1-CB 3.19Å; E143-S316 PolarHBondContact OE1-OG 3Å; E143-S316 WeakPolarHBondContact OE2-CB 3.24Å; S316-G318 PolarHBondContact O-N 3.26Å; S316-V319 WeakPolarHBondContact O-CB 3.37Å; S316-V319 PolarHBondContact O-N 3.36Å; S316-V319 VanDerWaalsContact O-N 3.14Å; S316-L320 VanDerWaalsContact O-CD1 3.25Å; S316-L320 WeakPolarHBondContact O-CD1 3.39Å; S316-L320 WeakPolarHBondContact O-CG 3.33Å; S316-L320 PolarHBondContact O-N 2.89Å; S316-L320 VanDerWaalsContact O-N 3.11Å; S316-N348 WeakPolarHBondContact CA-OD1 3.4Å; S316-N348 PolarHBondContact N-OD1 2.96Å; S316-N348 PolarHBondContact OG-OD1 3.35Å
317	F	62.8	Low	64	Low	3 Å²	3	35.6 Å²	35.6	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-27.1	176.5	167.4	-107.4	0	0	0	113.6	L138 P140 H302 T306 I315 L320 Q321	L138-F317 WeakPolarHBondContact O-CE2 3.45Å; P140-F317 HydrophobicContact CB-CB 3.81Å; P140-F317 HydrophobicContact CB-CD1 3.99Å; P140-F317 HydrophobicContact CB-CD2 4.36Å; P140-F317 HydrophobicContact CB-CG 3.81Å; P140-F317 HydrophobicContact CG-CB 4.38Å; P140-F317 HydrophobicContact CG-CD1 3.75Å; P140-F317 HydrophobicContact CG-CD2 4.08Å; P140-F317 HydrophobicContact CG-CE1 3.86Å; P140-F317 HydrophobicContact CG-CE2 4.19Å; P140-F317 HydrophobicContact CG-CG 3.81Å; P140-F317 HydrophobicContact CG-CZ 4.04Å; H302-F317 AromaticContact CD2-CE1 3.54Å; H302-F317 AromaticContact CD2-CZ 3.69Å; H302-F317 AromaticContact NE2-CE1 3.26Å; H302-F317 VanDerWaalsContact NE2-CE1 3.26Å; H302-F317 WeakPolarHBondContact NE2-CE1 3.22Å; H302-F317 AromaticContact NE2-CZ 3.39Å; H302-F317 WeakPolarHBondContact NE2-CZ 3.42Å; T306-F317 HydrophobicContact CG2-CD1 3.91Å; T306-F317 HydrophobicContact CG2-CE1 4.07Å; I315-F317 VanDerWaalsContact C-N 3.3Å; I315-F317 PolarHBondContact O-N 3.48Å; F317-L320 PolarHBondContact O-N 3.43Å; F317-Q321 HydrophobicContact CD2-CG 4.15Å; F317-Q321 HydrophobicContact CE1-CG 4.37Å; F317-Q321 HydrophobicContact CE2-CG 3.74Å; F317-Q321 VanDerWaalsContact CZ-CD 3.45Å; F317-Q321 HydrophobicContact CZ-CG 3.91Å; F317-Q321 WeakPolarHBondContact O-CG 3.31Å; F317-Q321 PolarHBondContact O-N 3.06Å
318	G	58.8	Low	64.6	Low	2 Å²	2	34 Å²	34	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-56.1	168.8	0	0	0	0	0	112.7	Q314 I315 S316 L320 Q321 V322	Q314-G318 PolarHBondContact O-N 2.91Å; I315-G318 WeakPolarHBondContact O-CA 3.32Å; I315-G318 PolarHBondContact O-N 2.66Å; S316-G318 PolarHBondContact O-N 3.26Å; G318-L320 PolarHBondContact O-N 2.92Å; G318-Q321 PolarHBondContact O-N 3.43Å; G318-V322 WeakPolarHBondContact O-CG2 3.14Å; G318-V322 PolarHBondContact O-N 3.04Å
319	V	59.8	Low	65.1	Low	3 Å²	3	30.9 Å²	30.9	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-48.7	-52.3	171.2	168.6	0	0	0	0	110	I315 S316 Q321 V322 D323 L344 Y345 N348	I315-V319 PolarHBondContact O-N 3.34Å; S316-V319 WeakPolarHBondContact O-CB 3.37Å; S316-V319 PolarHBondContact O-N 3.36Å; S316-V319 VanDerWaalsContact O-N 3.14Å; V319-Q321 PolarHBondContact O-N 2.87Å; V319-Q321 VanDerWaalsContact O-N 3.12Å; V319-V322 WeakPolarHBondContact O-CA 3.31Å; V319-V322 PolarHBondContact O-N 3.19Å; V319-D323 VanDerWaalsContact CG1-OD2 3.31Å; V319-D323 WeakPolarHBondContact CG1-OD2 3.44Å; V319-D323 PolarHBondContact O-N 2.99Å; V319-L344 VanDerWaalsContact CG2-C 3.45Å; V319-L344 HydrophobicContact CG2-CB 3.56Å; V319-L344 WeakPolarHBondContact CG2-O 3.35Å; V319-Y345 HydrophobicContact CB-CE1 4.5Å; V319-Y345 HydrophobicContact CG1-CD1 3.72Å; V319-Y345 HydrophobicContact CG1-CE1 3.29Å; V319-Y345 HydrophobicContact CG2-CD1 3.96Å; V319-Y345 HydrophobicContact CG2-CE1 4.38Å; V319-N348 WeakPolarHBondContact CG2-ND2 3.42Å
320	L	60.9	Low	65.6	Low	26 Å²	26	30.6 Å²	30.6	14%	0.136	14%	0.143	C	C	.	.	H	α-helix	trans	-69.8	-14.9	-170.4	-58.3	158.8	0	0	0	113	V133 F137 L138 S316 F317 G318 P324	V133-L320 HydrophobicContact CB-CD2 4.41Å; V133-L320 HydrophobicContact CG1-CB 4.05Å; V133-L320 HydrophobicContact CG1-CD2 3.85Å; V133-L320 HydrophobicContact CG2-CD2 3.97Å; F137-L320 HydrophobicContact CB-CD1 3.43Å; F137-L320 VanDerWaalsContact CB-CD1 3.43Å; F137-L320 HydrophobicContact CB-CD2 3.95Å; F137-L320 HydrophobicContact CB-CG 4.27Å; F137-L320 WeakPolarHBondContact O-CD1 3.42Å; L138-L320 WeakPolarHBondContact CD2-O 3.2Å; S316-L320 VanDerWaalsContact O-CD1 3.25Å; S316-L320 WeakPolarHBondContact O-CD1 3.39Å; S316-L320 WeakPolarHBondContact O-CG 3.33Å; S316-L320 PolarHBondContact O-N 2.89Å; S316-L320 VanDerWaalsContact O-N 3.11Å; F317-L320 PolarHBondContact O-N 3.43Å; G318-L320 PolarHBondContact O-N 2.92Å; L320-P324 WeakPolarHBondContact O-CD 3.45Å; L320-P324 WeakPolarHBondContact O-CG 3.4Å
321	Q	66.7	Low	66.1	Low	2 Å²	2	31.3 Å²	31.3	1%	0.009	15%	0.153	C	C	.	.	H	α-helix	trans	-89.9	-24.8	167.5	-75.6	-159.5	-29.4	0	0	113.9	L138 H302 G303 F317 G318 V319	L138-Q321 HydrophobicContact CD2-CG 4.29Å; H302-Q321 PolarHBondContact CD2-NE2 3.4Å; H302-Q321 PolarHBondContact CD2-OE1 3.48Å; G303-Q321 VanDerWaalsContact N-OE1 3.11Å; F317-Q321 HydrophobicContact CD2-CG 4.15Å; F317-Q321 HydrophobicContact CE1-CG 4.37Å; F317-Q321 HydrophobicContact CE2-CG 3.74Å; F317-Q321 VanDerWaalsContact CZ-CD 3.45Å; F317-Q321 HydrophobicContact CZ-CG 3.91Å; F317-Q321 WeakPolarHBondContact O-CG 3.31Å; F317-Q321 PolarHBondContact O-N 3.06Å; G318-Q321 PolarHBondContact O-N 3.43Å; V319-Q321 PolarHBondContact O-N 2.87Å; V319-Q321 VanDerWaalsContact O-N 3.12Å
322	V	67	Low	67.1	Low	6 Å²	6	21.6 Å²	21.6	4%	0.036	12%	0.119	C	C	.	.	H	α-helix	trans	-80	-45.9	178.9	170.7	0	0	0	0	111.6	G318 V319 L325 V326 M337 I340 I341 L344	G318-V322 WeakPolarHBondContact O-CG2 3.14Å; G318-V322 PolarHBondContact O-N 3.04Å; V319-V322 WeakPolarHBondContact O-CA 3.31Å; V319-V322 PolarHBondContact O-N 3.19Å; V322-L325 WeakPolarHBondContact O-CA 3.49Å; V322-L325 WeakPolarHBondContact O-CB 3.47Å; V322-L325 PolarHBondContact O-N 3.1Å; V322-V326 HydrophobicContact CG1-CG2 4.47Å; V322-V326 PolarHBondContact O-N 3.46Å; V322-V326 VanDerWaalsContact O-N 3.13Å; V322-M337 HydrophobicContact CB-CE 4.34Å; V322-M337 HydrophobicContact CG1-CB 4.12Å; V322-M337 HydrophobicContact CG1-CE 4.08Å; V322-M337 HydrophobicContact CG2-CE 3.58Å; V322-I340 HydrophobicContact CG2-CG2 4.42Å; V322-I341 HydrophobicContact CG1-CB 4.11Å; V322-I341 HydrophobicContact CG1-CG1 4.18Å; V322-L344 HydrophobicContact CB-CD1 4.16Å; V322-L344 HydrophobicContact CG2-CD1 3.51Å
323	D	70.8	Confident	68.4	Low	5 Å²	5	16.1 Å²	16.1	3%	0.027	9%	0.09	C	C	.	.	H	α-helix	trans	-58.3	-40.5	-177.5	-56.5	-9.9	0	0	0	112.9	Y131 V133 V319 L325 V326 N327 I341 Y345	Y131-D323 HydrophobicContact CD1-CB 3.84Å; V133-D323 HydrophobicContact CG2-CB 3.66Å; V319-D323 VanDerWaalsContact CG1-OD2 3.31Å; V319-D323 WeakPolarHBondContact CG1-OD2 3.44Å; V319-D323 PolarHBondContact O-N 2.99Å; D323-L325 VanDerWaalsContact C-N 3.29Å; D323-L325 PolarHBondContact O-N 2.62Å; D323-V326 PolarHBondContact O-N 3.4Å; D323-N327 PolarHBondContact O-N 3.29Å; D323-N327 PolarHBondContact O-ND2 2.9Å; D323-I341 WeakPolarHBondContact OD1-CD1 3.42Å; D323-Y345 VanDerWaalsContact CG-OH 3.26Å; D323-Y345 PolarHBondContact OD1-OH 3Å; D323-Y345 PolarHBondContact OD2-OH 3Å
324	P	70.4	Confident	69.7	Low	2 Å²	2	15.5 Å²	15.5	1%	0.013	9%	0.086	C	C	.	.	H	α-helix	trans	-72.1	-17.7	174.7	-16.5	33.1	0	0	0	113.9	V133 I278 L320 L328	V133-P324 HydrophobicContact CB-CG 4.11Å; V133-P324 HydrophobicContact CG1-CG 4.39Å; V133-P324 HydrophobicContact CG2-CG 3.98Å; I278-P324 HydrophobicContact CD1-CB 4.14Å; I278-P324 HydrophobicContact CG1-CB 3.94Å; L320-P324 WeakPolarHBondContact O-CD 3.45Å; L320-P324 WeakPolarHBondContact O-CG 3.4Å; P324-L328 VanDerWaalsContact O-CG 3.3Å; P324-L328 WeakPolarHBondContact O-CG 3.32Å; P324-L328 PolarHBondContact O-N 2.92Å
325	L	76	Confident	70.8	Confident	5 Å²	5	14.1 Å²	14.1	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-73.5	-45.5	169.8	-72.6	172.8	0	0	0	110.6	Y296 R299 A300 V322 D323 N327 L328 M337	Y296-L325 HydrophobicContact CD1-CD2 3.79Å; Y296-L325 HydrophobicContact CE1-CD2 4.48Å; Y296-L325 HydrophobicContact CG-CD2 4.42Å; R299-L325 HydrophobicContact CB-CD1 3.99Å; R299-L325 HydrophobicContact CB-CD2 3.84Å; R299-L325 HydrophobicContact CB-CG 4.11Å; A300-L325 HydrophobicContact CB-CD1 4.27Å; V322-L325 WeakPolarHBondContact O-CA 3.49Å; V322-L325 WeakPolarHBondContact O-CB 3.47Å; V322-L325 PolarHBondContact O-N 3.1Å; D323-L325 VanDerWaalsContact C-N 3.29Å; D323-L325 PolarHBondContact O-N 2.62Å; L325-N327 VanDerWaalsContact C-N 3.26Å; L325-N327 PolarHBondContact O-N 2.79Å; L325-L328 PolarHBondContact O-N 3.22Å; L325-L328 VanDerWaalsContact O-N 3.09Å; L325-M337 HydrophobicContact CB-CG 4.39Å; L325-M337 HydrophobicContact CD1-CE 4.11Å; L325-M337 HydrophobicContact CD1-CG 4.39Å; L325-M337 HydrophobicContact CD1-SD 4.4Å
326	V	74.4	Confident	72.2	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-33.2	175.5	-178	0	0	0	0	111.2	Y131 V322 D323 L328 D329 K330 M337	Y131-V326 HydrophobicContact CD1-CB 4Å; Y131-V326 HydrophobicContact CD1-CG1 4.13Å; Y131-V326 HydrophobicContact CE1-CB 3.69Å; Y131-V326 HydrophobicContact CE1-CG1 3.59Å; Y131-V326 HydrophobicContact CE1-CG2 4.19Å; V322-V326 HydrophobicContact CG1-CG2 4.47Å; V322-V326 PolarHBondContact O-N 3.46Å; V322-V326 VanDerWaalsContact O-N 3.13Å; D323-V326 PolarHBondContact O-N 3.4Å; V326-L328 VanDerWaalsContact C-N 3.34Å; V326-L328 PolarHBondContact O-N 3.34Å; V326-D329 CarbonylContact O-C 3.47Å; V326-K330 WeakPolarHBondContact O-CA 3.28Å; V326-K330 VanDerWaalsContact O-CG 3.32Å; V326-K330 WeakPolarHBondContact O-CG 3.46Å; V326-K330 PolarHBondContact O-N 2.97Å; V326-K330 VanDerWaalsContact O-N 3.11Å; V326-M337 HydrophobicContact CG2-CB 3.94Å
327	N	76.2	Confident	73.3	Confident	3 Å²	3	13.5 Å²	13.5	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-64.4	-31	172	-83.3	-35.4	0	0	0	114.8	Y131 R284 D323 L325 D329 K330	Y131-N327 VanDerWaalsContact CB-OD1 3.22Å; Y131-N327 WeakPolarHBondContact CB-OD1 3.17Å; Y131-N327 PolarHBondContact O-ND2 3.16Å; R284-N327 PolarHBondContact NH1-O 3.05Å; D323-N327 PolarHBondContact O-N 3.29Å; D323-N327 PolarHBondContact O-ND2 2.9Å; L325-N327 VanDerWaalsContact C-N 3.26Å; L325-N327 PolarHBondContact O-N 2.79Å; N327-D329 VanDerWaalsContact C-N 3.33Å; N327-K330 WeakPolarHBondContact OD1-CE 3.47Å
328	L	77.4	Confident	74.3	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-73	-29.5	-176.6	-73.5	169.4	0	0	0	112.1	F276 I278 R284 L285 Y296 P324 L325 V326	F276-L328 HydrophobicContact CE2-CD2 3.73Å; F276-L328 HydrophobicContact CZ-CD2 3.73Å; I278-L328 HydrophobicContact CD1-CD1 4.13Å; I278-L328 HydrophobicContact CG1-CD1 4.2Å; I278-L328 HydrophobicContact CG1-CD2 4.34Å; I278-L328 HydrophobicContact CG1-CG 4.36Å; R284-L328 WeakPolarHBondContact CA-O 3.29Å; R284-L328 VanDerWaalsContact CD-O 3.23Å; R284-L328 WeakPolarHBondContact CD-O 3.39Å; L285-L328 HydrophobicContact CB-CB 4.27Å; L285-L328 HydrophobicContact CB-CD2 3.9Å; L285-L328 HydrophobicContact CD2-CD1 4.26Å; L285-L328 PolarHBondContact N-O 3.16Å; L285-L328 VanDerWaalsContact N-O 3.09Å; Y296-L328 HydrophobicContact CE1-CB 3.94Å; Y296-L328 HydrophobicContact CE1-CD1 4.5Å; Y296-L328 VanDerWaalsContact OH-CB 3.29Å; Y296-L328 WeakPolarHBondContact OH-CB 3.25Å; P324-L328 VanDerWaalsContact O-CG 3.3Å; P324-L328 WeakPolarHBondContact O-CG 3.32Å; P324-L328 PolarHBondContact O-N 2.92Å; L325-L328 PolarHBondContact O-N 3.22Å; L325-L328 VanDerWaalsContact O-N 3.09Å; V326-L328 VanDerWaalsContact C-N 3.34Å; V326-L328 PolarHBondContact O-N 3.34Å
329	D	76.4	Confident	75.7	Confident	31 Å²	31	14 Å²	14	17%	0.166	8%	0.077	C	C	.	.			trans	-143	93.9	163.4	-155.9	-37.5	0	0	0	111.8	V326 N327 V331 D332 R365	V326-D329 CarbonylContact O-C 3.47Å; N327-D329 VanDerWaalsContact C-N 3.33Å; D329-V331 PolarHBondContact O-N 3.01Å; D329-V331 PolarHBondContact OD1-N 3.02Å; D329-D332 PolarHBondContact OD1-N 3.27Å; D329-D332 VanDerWaalsContact OD1-N 3.09Å; D329-R365 PolarHBondContact O-NH2 3.43Å
330	K	73.1	Confident	76.9	Confident	36 Å²	36	14.4 Å²	14.4	16%	0.157	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.7	177.1	-78.6	-164	170.1	-172	0	113.4	A127 D128 V326 N327 R365	A127-K330 PolarHBondContact O-NZ 3.25Å; D128-K330 IonicContact OD1-NZ 2.79Å; D128-K330 PolarHBondContact OD1-NZ 2.93Å; V326-K330 WeakPolarHBondContact O-CA 3.28Å; V326-K330 VanDerWaalsContact O-CG 3.32Å; V326-K330 WeakPolarHBondContact O-CG 3.46Å; V326-K330 PolarHBondContact O-N 2.97Å; V326-K330 VanDerWaalsContact O-N 3.11Å; N327-K330 WeakPolarHBondContact OD1-CE 3.47Å; K330-R365 PolarHBondContact O-NE 3.4Å; K330-R365 PolarHBondContact O-NH2 3.12Å
331	V	68.8	Low	78	Confident	87 Å²	87	13.1 Å²	13.1	53%	0.527	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-73.8	179.2	-175.6	0	0	0	0	109.8	D329 D333 R365	D329-V331 PolarHBondContact O-N 3.01Å; D329-V331 PolarHBondContact OD1-N 3.02Å; V331-D333 VanDerWaalsContact C-N 3.34Å; V331-D333 PolarHBondContact O-N 3.06Å; V331-R365 PolarHBondContact O-NH2 2.83Å
332	D	75	Confident	78.9	Confident	29 Å²	29	13.1 Å²	13.1	16%	0.155	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.2	-161.8	-78.4	-17.7	0	0	0	115.6	H57 S58 D329	H57-D332 PolarHBondContact N-OD1 3.41Å; S58-D332 WeakPolarHBondContact CB-OD2 3.26Å; S58-D332 VanDerWaalsContact OG-CG 3.25Å; S58-D332 PolarHBondContact OG-OD2 3.23Å; D329-D332 PolarHBondContact OD1-N 3.27Å; D329-D332 VanDerWaalsContact OD1-N 3.09Å
333	D	82.9	Confident	79.8	Confident	10 Å²	10	14 Å²	14	5%	0.053	8%	0.076	C	C	.	.			trans	31.5	68.4	-176.5	-155.9	-26.5	0	0	0	113.4	V331 L335 A336 M337 V338 R365 P508	V331-D333 VanDerWaalsContact C-N 3.34Å; V331-D333 PolarHBondContact O-N 3.06Å; D333-L335 PolarHBondContact O-N 2.76Å; D333-A336 PolarHBondContact O-N 3.31Å; D333-A336 WeakPolarHBondContact OD1-CA 3.24Å; D333-A336 PolarHBondContact OD1-N 3.02Å; D333-M337 VanDerWaalsContact CG-N 3.32Å; D333-M337 PolarHBondContact OD1-N 3.27Å; D333-M337 PolarHBondContact OD2-N 2.95Å; D333-V338 WeakPolarHBondContact OD2-CB 3.49Å; D333-V338 PolarHBondContact OD2-N 3.3Å; D333-R365 IonicContact OD2-CZ 2.58Å; D333-R365 IonicContact OD2-NH1 3.44Å; D333-R365 PolarHBondContact OD2-NH1 3.23Å; D333-R365 IonicContact OD2-NH2 1.85Å; D333-P508 WeakPolarHBondContact O-CB 3.47Å
334	P	84.9	Confident	80.4	Confident	9 Å²	9	14 Å²	14	6%	0.058	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-11	-162.5	23.2	-35.7	0	0	0	115	Y287 Y296 R511	Y287-P334 HydrophobicContact CD1-CB 3.59Å; Y287-P334 HydrophobicContact CD2-CB 3.57Å; Y287-P334 HydrophobicContact CD2-CG 3.75Å; Y287-P334 HydrophobicContact CE1-CB 4.15Å; Y287-P334 HydrophobicContact CE2-CB 4.13Å; Y287-P334 HydrophobicContact CG-CB 3.28Å; Y287-P334 HydrophobicContact CG-CG 3.77Å; Y296-P334 HydrophobicContact CD1-CG 4.25Å; Y296-P334 HydrophobicContact CE1-CG 3.92Å; P334-R511 WeakPolarHBondContact O-CD 3.07Å; P334-R511 PolarHBondContact O-NH1 2.94Å; P334-R511 VanDerWaalsContact O-NH1 3.08Å
335	L	85.7	Confident	81.2	Confident	2 Å²	2	14 Å²	14	1%	0.01	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	10.1	175.1	-59.3	-173.1	0	0	0	113.6	Y287 L297 A300 D333 M337 R511 H512 L515	Y287-L335 HydrophobicContact CE2-CD2 3.81Å; Y287-L335 HydrophobicContact CE2-CG 4.3Å; L297-L335 HydrophobicContact CD2-CD1 4.45Å; L297-L335 HydrophobicContact CD2-CD2 4.05Å; A300-L335 HydrophobicContact CB-CD1 3.73Å; D333-L335 PolarHBondContact O-N 2.76Å; L335-M337 VanDerWaalsContact C-N 3.29Å; L335-M337 HydrophobicContact CB-CG 4Å; L335-M337 HydrophobicContact CB-SD 3.88Å; L335-M337 PolarHBondContact O-N 3.12Å; L335-R511 HydrophobicContact CD2-CB 4.07Å; L335-H512 WeakPolarHBondContact O-CB 3.48Å; L335-H512 PolarHBondContact O-ND1 3.38Å; L335-L515 HydrophobicContact CD1-CD1 3.82Å; L335-L515 HydrophobicContact CD2-CD1 3.68Å; L335-L515 HydrophobicContact CG-CD1 4.23Å
336	A	86.9	Confident	81.7	Confident	8 Å²	8	14 Å²	14	7%	0.066	8%	0.076	C	C	.	.			trans	47.1	44.2	-176	0	0	0	0	0	114.5	D333 V338 L339 P508 V509 H512	D333-A336 PolarHBondContact O-N 3.31Å; D333-A336 WeakPolarHBondContact OD1-CA 3.24Å; D333-A336 PolarHBondContact OD1-N 3.02Å; A336-V338 PolarHBondContact O-N 2.98Å; A336-L339 HydrophobicContact CB-CD1 3.89Å; A336-L339 HydrophobicContact CB-CG 4.3Å; A336-L339 WeakPolarHBondContact O-CB 3.4Å; A336-L339 PolarHBondContact O-N 2.95Å; A336-P508 HydrophobicContact CB-CB 3.92Å; A336-V509 HydrophobicContact CB-CG2 4.42Å; A336-H512 HydrophobicContact CB-CB 4.15Å; A336-H512 PolarHBondContact O-CD2 3.38Å; A336-H512 PolarHBondContact O-NE2 3.24Å
337	M	85.4	Confident	82.2	Confident	13 Å²	13	16.1 Å²	16.1	6%	0.064	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-64.9	-22.3	-176.9	-61.8	-54.7	-59.8	0	0	113.1	A300 V322 L325 V326 D333 L335 L339 I340 I341	A300-M337 HydrophobicContact CB-SD 4.42Å; V322-M337 HydrophobicContact CB-CE 4.34Å; V322-M337 HydrophobicContact CG1-CB 4.12Å; V322-M337 HydrophobicContact CG1-CE 4.08Å; V322-M337 HydrophobicContact CG2-CE 3.58Å; L325-M337 HydrophobicContact CB-CG 4.39Å; L325-M337 HydrophobicContact CD1-CE 4.11Å; L325-M337 HydrophobicContact CD1-CG 4.39Å; L325-M337 HydrophobicContact CD1-SD 4.4Å; V326-M337 HydrophobicContact CG2-CB 3.94Å; D333-M337 VanDerWaalsContact CG-N 3.32Å; D333-M337 PolarHBondContact OD1-N 3.27Å; D333-M337 PolarHBondContact OD2-N 2.95Å; L335-M337 VanDerWaalsContact C-N 3.29Å; L335-M337 HydrophobicContact CB-CG 4Å; L335-M337 HydrophobicContact CB-SD 3.88Å; L335-M337 PolarHBondContact O-N 3.12Å; M337-L339 PolarHBondContact O-N 2.95Å; M337-L339 VanDerWaalsContact O-N 3.1Å; M337-I340 HydrophobicContact CE-CG2 3.98Å; M337-I340 WeakPolarHBondContact O-CG2 3.24Å; M337-I340 PolarHBondContact O-N 3.28Å; M337-I341 PolarHBondContact O-N 2.98Å
338	V	83.8	Confident	82.3	Confident	5 Å²	5	17.8 Å²	17.8	3%	0.03	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17	169.5	72.3	0	0	0	0	114.2	D333 A336 I340 I341 L367 L370 N372	D333-V338 WeakPolarHBondContact OD2-CB 3.49Å; D333-V338 PolarHBondContact OD2-N 3.3Å; A336-V338 PolarHBondContact O-N 2.98Å; V338-I340 VanDerWaalsContact C-N 3.33Å; V338-I341 HydrophobicContact CG2-CG2 4.37Å; V338-L367 HydrophobicContact CG2-CD1 3.86Å; V338-L367 HydrophobicContact CG2-CD2 3.64Å; V338-L367 HydrophobicContact CG2-CG 4.44Å; V338-L370 HydrophobicContact CG1-CD1 3.97Å; V338-L370 HydrophobicContact CG2-CD1 4.37Å; V338-N372 PolarHBondContact O-ND2 3.39Å; V338-N372 VanDerWaalsContact O-ND2 3.16Å
339	L	86.9	Confident	82.7	Confident	10 Å²	10	24.4 Å²	24.4	5%	0.052	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-84.3	0.8	175.4	-61.6	177.3	0	0	0	114	A336 M337 L370 N372 L448 I451 R455 V509 H512	A336-L339 HydrophobicContact CB-CD1 3.89Å; A336-L339 HydrophobicContact CB-CG 4.3Å; A336-L339 WeakPolarHBondContact O-CB 3.4Å; A336-L339 PolarHBondContact O-N 2.95Å; M337-L339 PolarHBondContact O-N 2.95Å; M337-L339 VanDerWaalsContact O-N 3.1Å; L339-L370 HydrophobicContact CD2-CD1 4.01Å; L339-L370 HydrophobicContact CD2-CD2 4.25Å; L339-N372 WeakPolarHBondContact CD2-OD1 3.26Å; L339-L448 HydrophobicContact CD1-CD2 3.7Å; L339-L448 HydrophobicContact CD2-CD2 3.75Å; L339-L448 HydrophobicContact CG-CD2 4.41Å; L339-I451 HydrophobicContact CD1-CD1 4.44Å; L339-R455 PolarHBondContact O-NH1 2.88Å; L339-V509 HydrophobicContact CD1-CG1 4.03Å; L339-V509 HydrophobicContact CD1-CG2 4.16Å; L339-H512 VanDerWaalsContact CB-CD2 3.49Å; L339-H512 WeakPolarHBondContact CB-CD2 3.19Å; L339-H512 WeakPolarHBondContact CB-NE2 3.22Å
340	I	84.9	Confident	83.2	Confident	12 Å²	12	26.4 Å²	26.4	6%	0.062	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-18.1	175	-162	166.6	0	0	0	114	L307 V322 M337 V338 D342 Y343 L344	L307-I340 HydrophobicContact CD2-CD1 4.06Å; V322-I340 HydrophobicContact CG2-CG2 4.42Å; M337-I340 HydrophobicContact CE-CG2 3.98Å; M337-I340 WeakPolarHBondContact O-CG2 3.24Å; M337-I340 PolarHBondContact O-N 3.28Å; V338-I340 VanDerWaalsContact C-N 3.33Å; I340-D342 VanDerWaalsContact C-N 3.31Å; I340-D342 PolarHBondContact O-N 3.41Å; I340-Y343 HydrophobicContact CG1-CD1 4.3Å; I340-Y343 PolarHBondContact O-N 3.07Å; I340-L344 HydrophobicContact CG1-CD1 4.19Å; I340-L344 HydrophobicContact CG1-CG 4.23Å; I340-L344 HydrophobicContact CG2-CD1 4.17Å; I340-L344 WeakPolarHBondContact O-CG 3.44Å; I340-L344 PolarHBondContact O-N 3.44Å
341	I	83.9	Confident	83.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-38.5	-176.3	-165.2	178.7	0	0	0	113	Y131 V322 D323 M337 V338 L344 Y345 L357	Y131-I341 HydrophobicContact CE1-CD1 3.46Å; Y131-I341 VanDerWaalsContact CE1-CD1 3.46Å; Y131-I341 WeakPolarHBondContact OH-CD1 3.49Å; V322-I341 HydrophobicContact CG1-CB 4.11Å; V322-I341 HydrophobicContact CG1-CG1 4.18Å; D323-I341 WeakPolarHBondContact OD1-CD1 3.42Å; M337-I341 PolarHBondContact O-N 2.98Å; V338-I341 HydrophobicContact CG2-CG2 4.37Å; I341-L344 PolarHBondContact O-N 3.25Å; I341-Y345 HydrophobicContact CD1-CE2 3.69Å; I341-Y345 HydrophobicContact CG1-CD2 4Å; I341-Y345 HydrophobicContact CG1-CE2 3.54Å; I341-Y345 WeakPolarHBondContact O-CD2 3.44Å; I341-Y345 PolarHBondContact O-N 3.42Å; I341-L357 HydrophobicContact CG2-CD2 4Å
342	D	86.4	Confident	84.9	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-45	178.4	63.4	-55.3	0	0	0	111.9	I340 L344 Y345 L346 L357 N372 I373 S376	I340-D342 VanDerWaalsContact C-N 3.31Å; I340-D342 PolarHBondContact O-N 3.41Å; D342-L344 VanDerWaalsContact C-N 3.31Å; D342-L344 PolarHBondContact O-N 3.28Å; D342-Y345 PolarHBondContact O-N 2.82Å; D342-L346 WeakPolarHBondContact O-CB 3.45Å; D342-L346 VanDerWaalsContact O-CG 3.29Å; D342-L346 WeakPolarHBondContact O-CG 3.37Å; D342-L346 PolarHBondContact O-N 3.26Å; D342-L357 HydrophobicContact CB-CD2 4.46Å; D342-N372 VanDerWaalsContact CG-ND2 3.27Å; D342-N372 PolarHBondContact OD1-ND2 3.41Å; D342-N372 PolarHBondContact OD2-ND2 2.92Å; D342-I373 HydrophobicContact CB-CD1 3.98Å; D342-S376 VanDerWaalsContact OD2-CB 3.3Å; D342-S376 WeakPolarHBondContact OD2-CB 3.25Å; D342-S376 PolarHBondContact OD2-OG 3.48Å
343	Y	86.7	Confident	85.4	Confident	26 Å²	26	26.9 Å²	26.9	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-37.7	174.3	174.1	-121.2	0	0	0	112	L307 I340 L347 R455 T456 L459	L307-Y343 HydrophobicContact CD2-CE1 4.34Å; I340-Y343 HydrophobicContact CG1-CD1 4.3Å; I340-Y343 PolarHBondContact O-N 3.07Å; Y343-L347 HydrophobicContact CD1-CD1 3.99Å; Y343-L347 HydrophobicContact CD2-CD1 4.16Å; Y343-L347 HydrophobicContact CD2-CG 4.21Å; Y343-L347 HydrophobicContact CE1-CD1 3.57Å; Y343-L347 HydrophobicContact CE2-CD1 3.77Å; Y343-L347 HydrophobicContact CE2-CD2 4.14Å; Y343-L347 HydrophobicContact CE2-CG 3.9Å; Y343-L347 HydrophobicContact CG-CD1 4.28Å; Y343-L347 VanDerWaalsContact CZ-CD1 3.47Å; Y343-L347 VanDerWaalsContact O-CG 3.28Å; Y343-L347 WeakPolarHBondContact O-CG 3.38Å; Y343-L347 PolarHBondContact O-N 2.71Å; Y343-R455 HydrophobicContact CD1-CB 4.14Å; Y343-R455 HydrophobicContact CE1-CB 4.14Å; Y343-R455 WeakPolarHBondContact CE2-O 3.13Å; Y343-R455 HydrophobicContact CG-CB 4.37Å; Y343-R455 PolarHBondContact OH-O 3.36Å; Y343-T456 HydrophobicContact CD2-CG2 3.75Å; Y343-T456 HydrophobicContact CE2-CG2 4.46Å; Y343-T456 HydrophobicContact CG-CG2 4.24Å; Y343-L459 HydrophobicContact CD2-CD1 3.81Å; Y343-L459 HydrophobicContact CE2-CD1 3.93Å; Y343-L459 HydrophobicContact CE2-CG 4.33Å
344	L	83.2	Confident	85.7	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-40.7	178.1	-70.6	169.7	0	0	0	112.3	L307 I315 V319 V322 I340 I341 D342 N348	L307-L344 HydrophobicContact CD1-CD2 3.89Å; L307-L344 HydrophobicContact CD2-CD2 4.11Å; I315-L344 HydrophobicContact CG2-CD2 4.2Å; V319-L344 VanDerWaalsContact CG2-C 3.45Å; V319-L344 HydrophobicContact CG2-CB 3.56Å; V319-L344 WeakPolarHBondContact CG2-O 3.35Å; V322-L344 HydrophobicContact CB-CD1 4.16Å; V322-L344 HydrophobicContact CG2-CD1 3.51Å; I340-L344 HydrophobicContact CG1-CD1 4.19Å; I340-L344 HydrophobicContact CG1-CG 4.23Å; I340-L344 HydrophobicContact CG2-CD1 4.17Å; I340-L344 WeakPolarHBondContact O-CG 3.44Å; I340-L344 PolarHBondContact O-N 3.44Å; I341-L344 PolarHBondContact O-N 3.25Å; D342-L344 VanDerWaalsContact C-N 3.31Å; D342-L344 PolarHBondContact O-N 3.28Å; L344-N348 PolarHBondContact O-N 2.82Å; L344-N348 PolarHBondContact O-ND2 3.31Å
345	Y	85.5	Confident	85.9	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-41.9	172	-72.1	-43.7	0	0	0	112	V319 D323 I341 D342 L347 N348 E349 M350 T353 V354	V319-Y345 HydrophobicContact CB-CE1 4.5Å; V319-Y345 HydrophobicContact CG1-CD1 3.72Å; V319-Y345 HydrophobicContact CG1-CE1 3.29Å; V319-Y345 HydrophobicContact CG2-CD1 3.96Å; V319-Y345 HydrophobicContact CG2-CE1 4.38Å; D323-Y345 VanDerWaalsContact CG-OH 3.26Å; D323-Y345 PolarHBondContact OD1-OH 3Å; D323-Y345 PolarHBondContact OD2-OH 3Å; I341-Y345 HydrophobicContact CD1-CE2 3.69Å; I341-Y345 HydrophobicContact CG1-CD2 4Å; I341-Y345 HydrophobicContact CG1-CE2 3.54Å; I341-Y345 WeakPolarHBondContact O-CD2 3.44Å; I341-Y345 PolarHBondContact O-N 3.42Å; D342-Y345 PolarHBondContact O-N 2.82Å; Y345-L347 PolarHBondContact O-N 2.71Å; Y345-N348 CarbonylContact O-C 3.07Å; Y345-N348 PolarHBondContact O-N 2.9Å; Y345-N348 VanDerWaalsContact O-N 3.16Å; Y345-E349 PolarHBondContact O-N 3.48Å; Y345-M350 HydrophobicContact CD1-CB 4.24Å; Y345-M350 HydrophobicContact CD1-CE 3.76Å; Y345-M350 HydrophobicContact CD1-SD 3.86Å; Y345-M350 HydrophobicContact CE1-CE 3.81Å; Y345-M350 HydrophobicContact CE1-SD 4.34Å; Y345-M350 PolarHBondContact O-N 3.34Å; Y345-T353 HydrophobicContact CD1-CG2 4.07Å; Y345-T353 HydrophobicContact CD2-CG2 3.99Å; Y345-T353 HydrophobicContact CE1-CG2 3.8Å; Y345-T353 HydrophobicContact CE2-CG2 3.68Å; Y345-T353 HydrophobicContact CG-CG2 4.2Å; Y345-V354 VanDerWaalsContact CB-CG2 3.49Å; Y345-V354 HydrophobicContact CG-CG2 4.44Å
346	L	87.6	Confident	85.9	Confident	6 Å²	6	29.8 Å²	29.8	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-42.4	175.4	-80.1	172.2	0	0	0	112.8	D342 N348 E349 Y351 V354 S376 L379 A380 L459	D342-L346 WeakPolarHBondContact O-CB 3.45Å; D342-L346 VanDerWaalsContact O-CG 3.29Å; D342-L346 WeakPolarHBondContact O-CG 3.37Å; D342-L346 PolarHBondContact O-N 3.26Å; L346-N348 VanDerWaalsContact C-N 3.26Å; L346-N348 PolarHBondContact O-N 3.5Å; L346-E349 PolarHBondContact O-N 3.13Å; L346-Y351 HydrophobicContact CD2-CD1 4.09Å; L346-Y351 HydrophobicContact CD2-CE1 4.23Å; L346-V354 HydrophobicContact CD2-CG2 4.45Å; L346-V354 HydrophobicContact CG-CG2 4.24Å; L346-S376 VanDerWaalsContact CD1-OG 3.3Å; L346-S376 WeakPolarHBondContact CD1-OG 3.45Å; L346-L379 HydrophobicContact CD1-CD2 3.99Å; L346-L379 HydrophobicContact CD2-CG 4.42Å; L346-A380 HydrophobicContact CD2-CB 3.93Å; L346-L459 HydrophobicContact CB-CD1 3.89Å; L346-L459 HydrophobicContact CD1-CD1 4.05Å
347	L	84.5	Confident	85.6	Confident	44 Å²	44	29.4 Å²	29.4	23%	0.23	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-24.4	178	-75.4	167	0	0	0	113.7	L307 I315 Y343 Y345 L459	L307-L347 HydrophobicContact CD1-CD1 4.13Å; I315-L347 HydrophobicContact CD1-CD1 4.4Å; I315-L347 HydrophobicContact CG2-CB 3.68Å; I315-L347 HydrophobicContact CG2-CD1 3.75Å; I315-L347 HydrophobicContact CG2-CG 4.36Å; Y343-L347 HydrophobicContact CD1-CD1 3.99Å; Y343-L347 HydrophobicContact CD2-CD1 4.16Å; Y343-L347 HydrophobicContact CD2-CG 4.21Å; Y343-L347 HydrophobicContact CE1-CD1 3.57Å; Y343-L347 HydrophobicContact CE2-CD1 3.77Å; Y343-L347 HydrophobicContact CE2-CD2 4.14Å; Y343-L347 HydrophobicContact CE2-CG 3.9Å; Y343-L347 HydrophobicContact CG-CD1 4.28Å; Y343-L347 VanDerWaalsContact CZ-CD1 3.47Å; Y343-L347 VanDerWaalsContact O-CG 3.28Å; Y343-L347 WeakPolarHBondContact O-CG 3.38Å; Y343-L347 PolarHBondContact O-N 2.71Å; Y345-L347 PolarHBondContact O-N 2.71Å; L347-L459 HydrophobicContact CD2-CD2 4.09Å
348	N	79.1	Confident	85.3	Confident	39 Å²	39	29.4 Å²	29.4	21%	0.209	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	13.4	176.7	-68.6	-66.7	0	0	0	112.8	I315 S316 V319 L344 Y345 L346 M350	I315-N348 PolarHBondContact O-ND2 2.74Å; S316-N348 WeakPolarHBondContact CA-OD1 3.4Å; S316-N348 PolarHBondContact N-OD1 2.96Å; S316-N348 PolarHBondContact OG-OD1 3.35Å; V319-N348 WeakPolarHBondContact CG2-ND2 3.42Å; L344-N348 PolarHBondContact O-N 2.82Å; L344-N348 PolarHBondContact O-ND2 3.31Å; Y345-N348 CarbonylContact O-C 3.07Å; Y345-N348 PolarHBondContact O-N 2.9Å; Y345-N348 VanDerWaalsContact O-N 3.16Å; L346-N348 VanDerWaalsContact C-N 3.26Å; L346-N348 PolarHBondContact O-N 3.5Å; N348-M350 HydrophobicContact CB-CG 4.16Å; N348-M350 HydrophobicContact CB-SD 4.27Å; N348-M350 PolarHBondContact O-N 3.28Å; N348-M350 VanDerWaalsContact O-N 3.1Å
349	E	85.9	Confident	85	Confident	139 Å²	139	34.6 Å²	34.6	65%	0.65	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	20.1	178	-46.3	-167.3	139.3	0	0	113.8	Y345 L346 Y351	Y345-E349 PolarHBondContact O-N 3.48Å; L346-E349 PolarHBondContact O-N 3.13Å; E349-Y351 HydrophobicContact CB-CE2 3.82Å; E349-Y351 VanDerWaalsContact O-CD2 3.32Å; E349-Y351 WeakPolarHBondContact O-CD2 3.47Å; E349-Y351 PolarHBondContact O-N 3.25Å
350	M	85.8	Confident	84	Confident	74 Å²	74	35.1 Å²	35.1	37%	0.365	17%	0.17	S	C	.	.			trans	-81.2	51.3	-179.5	-66.1	179.5	59.3	0	0	111.7	Y345 N348 D352 T353 V354	Y345-M350 HydrophobicContact CD1-CB 4.24Å; Y345-M350 HydrophobicContact CD1-CE 3.76Å; Y345-M350 HydrophobicContact CD1-SD 3.86Å; Y345-M350 HydrophobicContact CE1-CE 3.81Å; Y345-M350 HydrophobicContact CE1-SD 4.34Å; Y345-M350 PolarHBondContact O-N 3.34Å; N348-M350 HydrophobicContact CB-CG 4.16Å; N348-M350 HydrophobicContact CB-SD 4.27Å; N348-M350 PolarHBondContact O-N 3.28Å; N348-M350 VanDerWaalsContact O-N 3.1Å; M350-D352 VanDerWaalsContact C-N 3.31Å; M350-D352 PolarHBondContact O-N 3.11Å; M350-T353 HydrophobicContact CE-CG2 4.23Å; M350-T353 WeakPolarHBondContact CE-OG1 3.27Å; M350-T353 WeakPolarHBondContact O-CB 3.4Å; M350-T353 PolarHBondContact O-N 3.06Å; M350-V354 PolarHBondContact O-N 2.86Å
351	Y	89	Confident	83	Confident	33 Å²	33	35.3 Å²	35.3	13%	0.129	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-38.7	-171.3	-52.5	-55.1	0	0	0	113.2	L346 E349 T353 V354 I355 A380 M383	L346-Y351 HydrophobicContact CD2-CD1 4.09Å; L346-Y351 HydrophobicContact CD2-CE1 4.23Å; E349-Y351 HydrophobicContact CB-CE2 3.82Å; E349-Y351 VanDerWaalsContact O-CD2 3.32Å; E349-Y351 WeakPolarHBondContact O-CD2 3.47Å; E349-Y351 PolarHBondContact O-N 3.25Å; Y351-T353 VanDerWaalsContact C-N 3.31Å; Y351-T353 PolarHBondContact O-N 2.59Å; Y351-V354 PolarHBondContact O-N 2.79Å; Y351-I355 WeakPolarHBondContact O-CG1 3.5Å; Y351-I355 PolarHBondContact O-N 2.79Å; Y351-A380 HydrophobicContact CD1-CB 4.19Å; Y351-M383 HydrophobicContact CD1-CB 3.88Å; Y351-M383 HydrophobicContact CD1-CG 4.44Å; Y351-M383 HydrophobicContact CD2-CB 4.28Å; Y351-M383 HydrophobicContact CE1-CB 3.48Å; Y351-M383 VanDerWaalsContact CE1-CB 3.48Å; Y351-M383 HydrophobicContact CE1-CG 3.81Å; Y351-M383 HydrophobicContact CE2-CB 3.92Å; Y351-M383 HydrophobicContact CG-CB 4.27Å
352	D	89.3	Confident	81.8	Confident	97 Å²	97	38 Å²	38	52%	0.519	19%	0.185	S	C	.	.	H	α-helix	trans	-63.2	-35.1	175.9	-75.5	-45.4	0	0	0	112.7	M350 I355 E356 K384	M350-D352 VanDerWaalsContact C-N 3.31Å; M350-D352 PolarHBondContact O-N 3.11Å; D352-I355 PolarHBondContact O-N 2.88Å; D352-E356 WeakPolarHBondContact O-CB 3.26Å; D352-E356 PolarHBondContact O-N 2.99Å; D352-K384 IonicContact OD1-NZ 3.05Å; D352-K384 PolarHBondContact OD1-NZ 3.21Å; D352-K384 IonicContact OD2-NZ 3.89Å
353	T	85.9	Confident	80.5	Confident	31 Å²	31	43.4 Å²	43.4	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-37.7	175.9	-49.4	0	0	0	0	111.3	I130 Y345 M350 Y351 E356 L357	I130-T353 HydrophobicContact CD1-CG2 4.29Å; I130-T353 HydrophobicContact CG2-CG2 3.89Å; Y345-T353 HydrophobicContact CD1-CG2 4.07Å; Y345-T353 HydrophobicContact CD2-CG2 3.99Å; Y345-T353 HydrophobicContact CE1-CG2 3.8Å; Y345-T353 HydrophobicContact CE2-CG2 3.68Å; Y345-T353 HydrophobicContact CG-CG2 4.2Å; M350-T353 HydrophobicContact CE-CG2 4.23Å; M350-T353 WeakPolarHBondContact CE-OG1 3.27Å; M350-T353 WeakPolarHBondContact O-CB 3.4Å; M350-T353 PolarHBondContact O-N 3.06Å; Y351-T353 VanDerWaalsContact C-N 3.31Å; Y351-T353 PolarHBondContact O-N 2.59Å; T353-E356 PolarHBondContact O-N 3.29Å; T353-L357 WeakPolarHBondContact O-CB 3.37Å; T353-L357 PolarHBondContact O-N 3.36Å
354	V	87.7	Confident	79.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-39	173.8	-175.9	0	0	0	0	111.5	Y345 L346 M350 Y351 L357 V377 A380	Y345-V354 VanDerWaalsContact CB-CG2 3.49Å; Y345-V354 HydrophobicContact CG-CG2 4.44Å; L346-V354 HydrophobicContact CD2-CG2 4.45Å; L346-V354 HydrophobicContact CG-CG2 4.24Å; M350-V354 PolarHBondContact O-N 2.86Å; Y351-V354 PolarHBondContact O-N 2.79Å; V354-L357 WeakPolarHBondContact O-CB 3.4Å; V354-L357 PolarHBondContact O-N 3.46Å; V354-V377 HydrophobicContact CG1-CG2 4.18Å; V354-A380 HydrophobicContact CB-CB 3.82Å; V354-A380 HydrophobicContact CG1-CB 3.86Å; V354-A380 HydrophobicContact CG2-CB 4.45Å
355	I	88.8	Confident	78.4	Confident	30 Å²	30	49 Å²	49	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-72	-31.5	179.3	-65.5	163.5	0	0	0	111.8	Y351 D352 K359 A380 K384	Y351-I355 WeakPolarHBondContact O-CG1 3.5Å; Y351-I355 PolarHBondContact O-N 2.79Å; D352-I355 PolarHBondContact O-N 2.88Å; I355-K359 WeakPolarHBondContact O-CE 3.19Å; I355-A380 HydrophobicContact CD1-CB 4.5Å; I355-A380 HydrophobicContact CG1-CB 4.18Å; I355-K384 HydrophobicContact CD1-CD 4.42Å
356	E	86	Confident	77.6	Confident	51 Å²	51	51.5 Å²	51.5	24%	0.238	27%	0.265	C	S	.	.	H	α-helix	trans	-78.8	-28.1	174.3	-161.9	61.5	-151.8	0	0	112.5	I130 D352 T353 E358 K359 Q360	I130-E356 HydrophobicContact CD1-CB 3.88Å; I130-E356 HydrophobicContact CD1-CG 3.8Å; D352-E356 WeakPolarHBondContact O-CB 3.26Å; D352-E356 PolarHBondContact O-N 2.99Å; T353-E356 PolarHBondContact O-N 3.29Å; E356-E358 VanDerWaalsContact C-N 3.28Å; E356-E358 PolarHBondContact O-N 3.31Å; E356-K359 PolarHBondContact O-N 3.47Å; E356-K359 WeakPolarHBondContact OE2-CE 3.31Å; E356-K359 IonicContact OE2-NZ 2.8Å; E356-K359 PolarHBondContact OE2-NZ 2.96Å; E356-Q360 HydrophobicContact CG-CG 4.18Å; E356-Q360 WeakPolarHBondContact O-CG 3.01Å; E356-Q360 PolarHBondContact O-N 2.88Å; E356-Q360 VanDerWaalsContact O-N 3.16Å
357	L	80.6	Confident	76.9	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-34.4	179	-176.8	68	0	0	0	113.5	Y131 I341 D342 T353 V354 F361 L367 I373	Y131-L357 VanDerWaalsContact OH-CD1 3.31Å; Y131-L357 WeakPolarHBondContact OH-CD1 3.15Å; I341-L357 HydrophobicContact CG2-CD2 4Å; D342-L357 HydrophobicContact CB-CD2 4.46Å; T353-L357 WeakPolarHBondContact O-CB 3.37Å; T353-L357 PolarHBondContact O-N 3.36Å; V354-L357 WeakPolarHBondContact O-CB 3.4Å; V354-L357 PolarHBondContact O-N 3.46Å; L357-F361 HydrophobicContact CD1-CD2 3.97Å; L357-F361 HydrophobicContact CD1-CE2 3.67Å; L357-L367 HydrophobicContact CG-CD1 4.42Å; L357-I373 HydrophobicContact CD2-CD1 3.97Å
358	E	79.4	Confident	76.5	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-62.5	172.7	-163.2	-176.1	-148.1	0	0	109.3	E356 Q360 F361 D362 K374 V377 K400	E356-E358 VanDerWaalsContact C-N 3.28Å; E356-E358 PolarHBondContact O-N 3.31Å; E358-Q360 VanDerWaalsContact C-N 3.26Å; E358-Q360 PolarHBondContact O-N 3.47Å; E358-Q360 VanDerWaalsContact O-N 3.1Å; E358-F361 PolarHBondContact O-N 3.37Å; E358-D362 VanDerWaalsContact O-CG 3.25Å; E358-D362 PolarHBondContact O-N 3.41Å; E358-K374 IonicContact OE1-NZ 2.63Å; E358-K374 PolarHBondContact OE1-NZ 3.49Å; E358-V377 HydrophobicContact CB-CG2 4.09Å; E358-V377 HydrophobicContact CG-CG2 4.49Å; E358-K400 IonicContact OE1-NZ 3.39Å; E358-K400 PolarHBondContact OE1-NZ 3.01Å; E358-K400 WeakPolarHBondContact OE2-CE 3.16Å; E358-K400 IonicContact OE2-NZ 3.35Å; E358-K400 PolarHBondContact OE2-NZ 3.21Å
359	K	77.9	Confident	76.6	Confident	114 Å²	114	51.9 Å²	51.9	50%	0.496	27%	0.268	S	S	.	.	H	α-helix	trans	-58.7	-31	-173.5	-48.3	175.7	-156.3	158.5	0	114.6	I355 E356 F361	I355-K359 WeakPolarHBondContact O-CE 3.19Å; E356-K359 PolarHBondContact O-N 3.47Å; E356-K359 WeakPolarHBondContact OE2-CE 3.31Å; E356-K359 IonicContact OE2-NZ 2.8Å; E356-K359 PolarHBondContact OE2-NZ 2.96Å; K359-F361 VanDerWaalsContact C-N 3.34Å
360	Q	65.6	Low	76.7	Confident	22 Å²	22	45.4 Å²	45.4	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-78.1	-16.8	-174.6	-73.2	-164.1	-5.8	0	0	114.1	L126 I130 E356 E358	L126-Q360 PolarHBondContact O-NE2 3.16Å; I130-Q360 VanDerWaalsContact CD1-CD 3.47Å; I130-Q360 VanDerWaalsContact CD1-OE1 3.31Å; E356-Q360 HydrophobicContact CG-CG 4.18Å; E356-Q360 WeakPolarHBondContact O-CG 3.01Å; E356-Q360 PolarHBondContact O-N 2.88Å; E356-Q360 VanDerWaalsContact O-N 3.16Å; E358-Q360 VanDerWaalsContact C-N 3.26Å; E358-Q360 PolarHBondContact O-N 3.47Å; E358-Q360 VanDerWaalsContact O-N 3.1Å
361	F	63.8	Low	77	Confident	15 Å²	15	41.9 Å²	41.9	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-121.3	-5.3	-175.7	-75.2	-88.3	0	0	0	115	Y131 L357 E358 K359 T363 D364 R365 C366 L367	Y131-F361 AromaticContact CE2-CE2 3.6Å; Y131-F361 HydrophobicContact CE2-CE2 3.6Å; Y131-F361 AromaticContact CE2-CZ 3.57Å; Y131-F361 HydrophobicContact CE2-CZ 3.57Å; Y131-F361 AromaticContact CZ-CE2 3.78Å; Y131-F361 AromaticContact CZ-CZ 3.66Å; Y131-F361 WeakPolarHBondContact OH-CE2 3.38Å; Y131-F361 VanDerWaalsContact OH-CZ 3.26Å; Y131-F361 WeakPolarHBondContact OH-CZ 3.3Å; L357-F361 HydrophobicContact CD1-CD2 3.97Å; L357-F361 HydrophobicContact CD1-CE2 3.67Å; E358-F361 PolarHBondContact O-N 3.37Å; K359-F361 VanDerWaalsContact C-N 3.34Å; F361-T363 PolarHBondContact O-N 2.89Å; F361-T363 VanDerWaalsContact O-N 3.1Å; F361-D364 PolarHBondContact O-N 3.06Å; F361-R365 HydrophobicContact CB-CB 4.34Å; F361-R365 HydrophobicContact CD1-CB 4.02Å; F361-R365 HydrophobicContact CD1-CG 3.82Å; F361-R365 HydrophobicContact CE1-CG 4.33Å; F361-R365 PolarHBondContact O-N 2.6Å; F361-C366 PolarHBondContact O-N 2.76Å; F361-C366 VanDerWaalsContact O-N 3.08Å; F361-L367 HydrophobicContact CB-CB 4.2Å; F361-L367 HydrophobicContact CB-CD1 3.49Å; F361-L367 VanDerWaalsContact CB-CD1 3.49Å; F361-L367 HydrophobicContact CB-CG 3.45Å; F361-L367 VanDerWaalsContact CB-CG 3.45Å; F361-L367 HydrophobicContact CD1-CD1 4.36Å; F361-L367 HydrophobicContact CD2-CD1 3.58Å; F361-L367 HydrophobicContact CD2-CG 4.47Å; F361-L367 HydrophobicContact CE2-CD1 4.35Å; F361-L367 HydrophobicContact CG-CD1 3.57Å; F361-L367 HydrophobicContact CG-CG 3.99Å
362	D	59	Low	77.1	Confident	57 Å²	57	40.6 Å²	40.6	31%	0.305	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.8	177.9	-67.3	-31.5	0	0	0	113.2	E358 D368	E358-D362 VanDerWaalsContact O-CG 3.25Å; E358-D362 PolarHBondContact O-N 3.41Å; D362-D368 PolarHBondContact OD1-N 3.46Å
363	T	59.9	Low	77.2	Confident	115 Å²	115	36 Å²	36	71%	0.706	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-30.9	173.8	55	0	0	0	0	114.5	F361	F361-T363 PolarHBondContact O-N 2.89Å; F361-T363 VanDerWaalsContact O-N 3.1Å
364	D	60.4	Low	77.5	Confident	131 Å²	131	35.5 Å²	35.5	70%	0.701	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-34.4	-160.1	-74.8	40.5	0	0	0	113.9	F361	F361-D364 PolarHBondContact O-N 3.06Å
365	R	64	Low	77.8	Confident	17 Å²	17	35.4 Å²	35.4	6%	0.064	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-6.6	178.1	-71.8	-171.1	178.8	-163.8	-4.6	114	D329 K330 V331 D333 F361 L367	D329-R365 PolarHBondContact O-NH2 3.43Å; K330-R365 PolarHBondContact O-NE 3.4Å; K330-R365 PolarHBondContact O-NH2 3.12Å; V331-R365 PolarHBondContact O-NH2 2.83Å; D333-R365 IonicContact OD2-CZ 2.58Å; D333-R365 IonicContact OD2-NH1 3.44Å; D333-R365 PolarHBondContact OD2-NH1 3.23Å; D333-R365 IonicContact OD2-NH2 1.85Å; F361-R365 HydrophobicContact CB-CB 4.34Å; F361-R365 HydrophobicContact CD1-CB 4.02Å; F361-R365 HydrophobicContact CD1-CG 3.82Å; F361-R365 HydrophobicContact CE1-CG 4.33Å; F361-R365 PolarHBondContact O-N 2.6Å; R365-L367 HydrophobicContact CB-CD2 3.94Å; R365-L367 HydrophobicContact CB-CG 4.28Å; R365-L367 PolarHBondContact O-N 3.49Å
366	C	69.1	Low	78.1	Confident	52 Å²	52	34 Å²	34	35%	0.351	18%	0.178	S	C	.	.			trans	49.9	53.7	-173.5	-55.4	0	0	0	0	112.3	F361 D368 L369	F361-C366 PolarHBondContact O-N 2.76Å; F361-C366 VanDerWaalsContact O-N 3.08Å; C366-D368 PolarHBondContact O-N 2.94Å; C366-D368 VanDerWaalsContact O-N 3.12Å; C366-L369 HydrophobicContact CB-CD1 3.82Å; C366-L369 HydrophobicContact CB-CG 4.04Å; C366-L369 VanDerWaalsContact O-CB 3.27Å; C366-L369 WeakPolarHBondContact O-CB 3.3Å; C366-L369 WeakPolarHBondContact O-CG 3.49Å; C366-L369 PolarHBondContact O-N 2.98Å
367	L	73.5	Confident	78.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.7	-17.9	-180	-65.6	-170.4	0	0	0	113.5	V338 L357 F361 R365 L369 L370 I373	V338-L367 HydrophobicContact CG2-CD1 3.86Å; V338-L367 HydrophobicContact CG2-CD2 3.64Å; V338-L367 HydrophobicContact CG2-CG 4.44Å; L357-L367 HydrophobicContact CG-CD1 4.42Å; F361-L367 HydrophobicContact CB-CB 4.2Å; F361-L367 HydrophobicContact CB-CD1 3.49Å; F361-L367 VanDerWaalsContact CB-CD1 3.49Å; F361-L367 HydrophobicContact CB-CG 3.45Å; F361-L367 VanDerWaalsContact CB-CG 3.45Å; F361-L367 HydrophobicContact CD1-CD1 4.36Å; F361-L367 HydrophobicContact CD2-CD1 3.58Å; F361-L367 HydrophobicContact CD2-CG 4.47Å; F361-L367 HydrophobicContact CE2-CD1 4.35Å; F361-L367 HydrophobicContact CG-CD1 3.57Å; F361-L367 HydrophobicContact CG-CG 3.99Å; R365-L367 HydrophobicContact CB-CD2 3.94Å; R365-L367 HydrophobicContact CB-CG 4.28Å; R365-L367 PolarHBondContact O-N 3.49Å; L367-L369 PolarHBondContact O-N 3.13Å; L367-L370 HydrophobicContact CD2-CD1 3.64Å; L367-L370 HydrophobicContact CD2-CG 4.35Å; L367-L370 PolarHBondContact O-N 3.21Å; L367-I373 HydrophobicContact CB-CG1 4.24Å; L367-I373 HydrophobicContact CB-CG2 4.32Å; L367-I373 HydrophobicContact CD1-CG1 4.46Å
368	D	75.5	Confident	79.1	Confident	64 Å²	64	31.6 Å²	31.6	34%	0.342	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-40.5	-33.4	158.1	-104.8	19.3	0	0	0	114.4	D362 C366 L370 K374 Q407	D362-D368 PolarHBondContact OD1-N 3.46Å; C366-D368 PolarHBondContact O-N 2.94Å; C366-D368 VanDerWaalsContact O-N 3.12Å; D368-L370 VanDerWaalsContact C-N 3.35Å; D368-K374 WeakPolarHBondContact O-CE 3.09Å; D368-K374 WeakPolarHBondContact OD1-CE 3.11Å; D368-K374 IonicContact OD1-NZ 3.67Å; D368-K374 PolarHBondContact OD1-NZ 2.84Å; D368-K374 IonicContact OD2-NZ 3.89Å; D368-Q407 PolarHBondContact O-NE2 3.41Å; D368-Q407 PolarHBondContact O-OE1 3.04Å
369	L	82.4	Confident	79.9	Confident	34 Å²	34	31 Å²	31	18%	0.178	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-85.3	2	179.7	-58.4	-179.1	0	0	0	114	C366 L367 F408 V497 Y502	C366-L369 HydrophobicContact CB-CD1 3.82Å; C366-L369 HydrophobicContact CB-CG 4.04Å; C366-L369 VanDerWaalsContact O-CB 3.27Å; C366-L369 WeakPolarHBondContact O-CB 3.3Å; C366-L369 WeakPolarHBondContact O-CG 3.49Å; C366-L369 PolarHBondContact O-N 2.98Å; L367-L369 PolarHBondContact O-N 3.13Å; L369-F408 WeakPolarHBondContact O-CZ 3.37Å; L369-V497 HydrophobicContact CD2-CG1 4.47Å; L369-Y502 WeakPolarHBondContact CB-OH 3.36Å; L369-Y502 VanDerWaalsContact O-CE1 3.32Å; L369-Y502 WeakPolarHBondContact O-CE1 3.04Å; L369-Y502 PolarHBondContact O-OH 2.99Å
370	L	87.9	Confident	80.6	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.016	14%	0.141	C	C	.	.			trans	-103.3	124	179.4	-68.9	-171	0	0	0	112.5	F52 L55 V338 L339 L367 D368 N372 I373 K374 L448	F52-L370 HydrophobicContact CE2-CD2 4.35Å; L55-L370 HydrophobicContact CD1-CD2 4.06Å; V338-L370 HydrophobicContact CG1-CD1 3.97Å; V338-L370 HydrophobicContact CG2-CD1 4.37Å; L339-L370 HydrophobicContact CD2-CD1 4.01Å; L339-L370 HydrophobicContact CD2-CD2 4.25Å; L367-L370 HydrophobicContact CD2-CD1 3.64Å; L367-L370 HydrophobicContact CD2-CG 4.35Å; L367-L370 PolarHBondContact O-N 3.21Å; D368-L370 VanDerWaalsContact C-N 3.35Å; L370-N372 VanDerWaalsContact C-N 3.31Å; L370-N372 WeakPolarHBondContact CB-OD1 3.41Å; L370-N372 PolarHBondContact O-N 2.88Å; L370-I373 HydrophobicContact CB-CB 4.3Å; L370-I373 HydrophobicContact CB-CG1 3.84Å; L370-I373 HydrophobicContact CD1-CG1 4.28Å; L370-I373 PolarHBondContact O-N 3Å; L370-K374 PolarHBondContact O-N 2.94Å; L370-L448 HydrophobicContact CD2-CD1 4.23Å
371	P	91.7	Very high	82	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.5	-26.4	-176.1	31.1	-37.6	0	0	0	112.6	Y375 F408 M411 L445 L448 I449	P371-Y375 WeakPolarHBondContact O-CD2 3.26Å; P371-Y375 PolarHBondContact O-N 2.88Å; P371-F408 HydrophobicContact CB-CB 4.29Å; P371-F408 HydrophobicContact CB-CD1 4.13Å; P371-F408 HydrophobicContact CB-CD2 3.85Å; P371-F408 HydrophobicContact CB-CE1 4.4Å; P371-F408 HydrophobicContact CB-CE2 4.12Å; P371-F408 HydrophobicContact CB-CG 3.84Å; P371-F408 HydrophobicContact CB-CZ 4.39Å; P371-M411 HydrophobicContact CB-CE 3.76Å; P371-M411 VanDerWaalsContact O-CE 3.29Å; P371-M411 WeakPolarHBondContact O-CE 3.22Å; P371-L445 HydrophobicContact CB-CD1 4.3Å; P371-L445 HydrophobicContact CG-CD1 3.85Å; P371-L448 HydrophobicContact CG-CB 3.69Å; P371-L448 HydrophobicContact CG-CD1 4.03Å; P371-I449 HydrophobicContact CB-CG1 4.5Å
372	N	91.2	Very high	83.5	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-46.9	172.6	65.4	-58.8	0	0	0	111.1	V338 L339 D342 L370 K374 Y375 S376 Y452	V338-N372 PolarHBondContact O-ND2 3.39Å; V338-N372 VanDerWaalsContact O-ND2 3.16Å; L339-N372 WeakPolarHBondContact CD2-OD1 3.26Å; D342-N372 VanDerWaalsContact CG-ND2 3.27Å; D342-N372 PolarHBondContact OD1-ND2 3.41Å; D342-N372 PolarHBondContact OD2-ND2 2.92Å; L370-N372 VanDerWaalsContact C-N 3.31Å; L370-N372 WeakPolarHBondContact CB-OD1 3.41Å; L370-N372 PolarHBondContact O-N 2.88Å; N372-K374 PolarHBondContact O-N 3.21Å; N372-Y375 PolarHBondContact O-N 3.11Å; N372-S376 WeakPolarHBondContact O-CB 3.18Å; N372-S376 PolarHBondContact O-N 2.75Å; N372-S376 PolarHBondContact O-OG 2.95Å; N372-Y452 VanDerWaalsContact CA-CD2 3.45Å; N372-Y452 HydrophobicContact CB-CD2 3.28Å; N372-Y452 HydrophobicContact CB-CE2 3.79Å; N372-Y452 HydrophobicContact CB-CG 4.07Å
373	I	90.8	Very high	85.1	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-49.2	-178.3	-55.5	-59.8	0	0	0	110.7	D342 L357 L367 L370 Y375 S376 V377	D342-I373 HydrophobicContact CB-CD1 3.98Å; L357-I373 HydrophobicContact CD2-CD1 3.97Å; L367-I373 HydrophobicContact CB-CG1 4.24Å; L367-I373 HydrophobicContact CB-CG2 4.32Å; L367-I373 HydrophobicContact CD1-CG1 4.46Å; L370-I373 HydrophobicContact CB-CB 4.3Å; L370-I373 HydrophobicContact CB-CG1 3.84Å; L370-I373 HydrophobicContact CD1-CG1 4.28Å; L370-I373 PolarHBondContact O-N 3Å; I373-Y375 PolarHBondContact O-N 3.43Å; I373-S376 PolarHBondContact O-N 3.4Å; I373-V377 HydrophobicContact CG2-CG2 4.12Å; I373-V377 WeakPolarHBondContact O-CB 3.36Å; I373-V377 VanDerWaalsContact O-CG2 3.23Å; I373-V377 WeakPolarHBondContact O-CG2 3.27Å; I373-V377 PolarHBondContact O-N 2.74Å
374	K	92.4	Very high	86.6	Confident	20 Å²	20	21.3 Å²	21.3	9%	0.087	11%	0.112	C	C	.	.	H	α-helix	trans	-58.7	-45.9	179.3	-73	-57.8	-170.5	-163.7	0	113.7	E358 D368 L370 N372 A378 A404 Q407 F408	E358-K374 IonicContact OE1-NZ 2.63Å; E358-K374 PolarHBondContact OE1-NZ 3.49Å; D368-K374 WeakPolarHBondContact O-CE 3.09Å; D368-K374 WeakPolarHBondContact OD1-CE 3.11Å; D368-K374 IonicContact OD1-NZ 3.67Å; D368-K374 PolarHBondContact OD1-NZ 2.84Å; D368-K374 IonicContact OD2-NZ 3.89Å; L370-K374 PolarHBondContact O-N 2.94Å; N372-K374 PolarHBondContact O-N 3.21Å; K374-A378 PolarHBondContact O-N 2.99Å; K374-A404 HydrophobicContact CB-CB 4.02Å; K374-Q407 VanDerWaalsContact CE-OE1 3.3Å; K374-F408 HydrophobicContact CG-CE2 4.18Å
375	Y	94.9	Very high	88.1	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-72.8	-34.7	178.7	-83.3	-98.1	0	0	0	112.6	P371 N372 I373 L379 L401 A404 F408 M411 L415 Y452 W460	P371-Y375 WeakPolarHBondContact O-CD2 3.26Å; P371-Y375 PolarHBondContact O-N 2.88Å; N372-Y375 PolarHBondContact O-N 3.11Å; I373-Y375 PolarHBondContact O-N 3.43Å; Y375-L379 VanDerWaalsContact O-CB 3.3Å; Y375-L379 WeakPolarHBondContact O-CB 3.38Å; Y375-L379 PolarHBondContact O-N 3.26Å; Y375-L401 HydrophobicContact CE1-CD1 4.48Å; Y375-A404 HydrophobicContact CD2-CB 3.89Å; Y375-A404 HydrophobicContact CE2-CB 3.82Å; Y375-A404 HydrophobicContact CG-CB 4.29Å; Y375-F408 HydrophobicContact CE2-CB 4.17Å; Y375-F408 PolarHBondContact OH-O 2.69Å; Y375-M411 HydrophobicContact CD1-CG 4.1Å; Y375-M411 HydrophobicContact CD2-CB 4.4Å; Y375-M411 HydrophobicContact CD2-CE 3.61Å; Y375-M411 HydrophobicContact CD2-CG 3.98Å; Y375-M411 HydrophobicContact CE1-CB 4.27Å; Y375-M411 HydrophobicContact CE1-CG 3.87Å; Y375-M411 HydrophobicContact CE2-CB 3.71Å; Y375-M411 HydrophobicContact CE2-CE 4.14Å; Y375-M411 HydrophobicContact CE2-CG 3.75Å; Y375-M411 HydrophobicContact CG-CE 3.94Å; Y375-M411 HydrophobicContact CG-CG 4.15Å; Y375-L415 HydrophobicContact CD1-CD1 4.27Å; Y375-L415 HydrophobicContact CE1-CD1 4.4Å; Y375-Y452 WeakPolarHBondContact CB-OH 3.42Å; Y375-Y452 HydrophobicContact CG-CE1 4.41Å; Y375-W460 HydrophobicContact CD1-CH2 4.23Å; Y375-W460 HydrophobicContact CD1-CZ2 4.07Å
376	S	93.9	Very high	89.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-71.3	-35.6	176.8	-77	0	0	0	0	113.3	D342 L346 N372 I373 L379 A380 Y452	D342-S376 VanDerWaalsContact OD2-CB 3.3Å; D342-S376 WeakPolarHBondContact OD2-CB 3.25Å; D342-S376 PolarHBondContact OD2-OG 3.48Å; L346-S376 VanDerWaalsContact CD1-OG 3.3Å; L346-S376 WeakPolarHBondContact CD1-OG 3.45Å; N372-S376 WeakPolarHBondContact O-CB 3.18Å; N372-S376 PolarHBondContact O-N 2.75Å; N372-S376 PolarHBondContact O-OG 2.95Å; I373-S376 PolarHBondContact O-N 3.4Å; S376-L379 PolarHBondContact O-N 3.19Å; S376-A380 VanDerWaalsContact O-CB 3.27Å; S376-A380 WeakPolarHBondContact O-CB 3.46Å; S376-A380 PolarHBondContact O-N 3.02Å; S376-Y452 PolarHBondContact N-OH 3.49Å; S376-Y452 WeakPolarHBondContact OG-CE2 3.45Å; S376-Y452 PolarHBondContact OG-OH 2.97Å
377	V	93.7	Very high	90.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-45.6	173.3	170.4	0	0	0	0	110.5	V354 E358 I373 L379 A380 C381 K400	V354-V377 HydrophobicContact CG1-CG2 4.18Å; E358-V377 HydrophobicContact CB-CG2 4.09Å; E358-V377 HydrophobicContact CG-CG2 4.49Å; I373-V377 HydrophobicContact CG2-CG2 4.12Å; I373-V377 WeakPolarHBondContact O-CB 3.36Å; I373-V377 VanDerWaalsContact O-CG2 3.23Å; I373-V377 WeakPolarHBondContact O-CG2 3.27Å; I373-V377 PolarHBondContact O-N 2.74Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 3.34Å; V377-A380 PolarHBondContact O-N 3.02Å; V377-C381 PolarHBondContact O-N 3.32Å; V377-C381 PolarHBondContact O-SG 3Å; V377-C381 VanDerWaalsContact O-SG 3.38Å; V377-K400 HydrophobicContact CG1-CD 4.18Å; V377-K400 HydrophobicContact CG1-CG 4.43Å
378	A	94.8	Very high	91	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-44.4	174.4	0	0	0	0	0	111.8	K374 C381 F382 K400 L401 W468	K374-A378 PolarHBondContact O-N 2.99Å; A378-C381 PolarHBondContact O-N 3.38Å; A378-F382 PolarHBondContact O-N 3.25Å; A378-K400 HydrophobicContact CB-CB 3.97Å; A378-L401 HydrophobicContact CB-CB 4.18Å; A378-W468 HydrophobicContact CB-CH2 4.27Å; A378-W468 WeakPolarHBondContact O-CH2 3.38Å
379	L	94.8	Very high	91.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-39.1	177.2	-174.5	61	0	0	0	112.9	L346 Y375 S376 V377 F382 M383 L459 W460 V465 W468	L346-L379 HydrophobicContact CD1-CD2 3.99Å; L346-L379 HydrophobicContact CD2-CG 4.42Å; Y375-L379 VanDerWaalsContact O-CB 3.3Å; Y375-L379 WeakPolarHBondContact O-CB 3.38Å; Y375-L379 PolarHBondContact O-N 3.26Å; S376-L379 PolarHBondContact O-N 3.19Å; V377-L379 VanDerWaalsContact C-N 3.32Å; V377-L379 PolarHBondContact O-N 3.34Å; L379-F382 PolarHBondContact O-N 2.84Å; L379-M383 HydrophobicContact CD1-CE 3.66Å; L379-M383 HydrophobicContact CD1-CG 4.5Å; L379-M383 HydrophobicContact CG-CE 4.08Å; L379-M383 WeakPolarHBondContact O-CG 3.48Å; L379-M383 PolarHBondContact O-N 3.31Å; L379-L459 HydrophobicContact CD2-CB 4.03Å; L379-L459 HydrophobicContact CD2-CD1 4.38Å; L379-W460 HydrophobicContact CB-CH2 4.01Å; L379-W460 HydrophobicContact CB-CZ2 3.94Å; L379-W460 HydrophobicContact CD1-CD2 4.46Å; L379-W460 HydrophobicContact CD1-CE3 4.25Å; L379-W460 HydrophobicContact CD1-CH2 4.11Å; L379-W460 HydrophobicContact CD1-CZ2 4.31Å; L379-W460 HydrophobicContact CD1-CZ3 4.08Å; L379-W460 HydrophobicContact CD2-CD2 4.38Å; L379-W460 HydrophobicContact CD2-CZ2 3.94Å; L379-W460 HydrophobicContact CG-CH2 4.46Å; L379-W460 HydrophobicContact CG-CZ2 4.3Å; L379-V465 HydrophobicContact CD1-CG1 3.51Å; L379-V465 HydrophobicContact CD1-CG2 4.43Å; L379-W468 HydrophobicContact CD1-CZ3 4.41Å
380	A	93.8	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-43.5	175.6	0	0	0	0	0	111.7	L346 Y351 V354 I355 S376 V377 F382 M383 K384	L346-A380 HydrophobicContact CD2-CB 3.93Å; Y351-A380 HydrophobicContact CD1-CB 4.19Å; V354-A380 HydrophobicContact CB-CB 3.82Å; V354-A380 HydrophobicContact CG1-CB 3.86Å; V354-A380 HydrophobicContact CG2-CB 4.45Å; I355-A380 HydrophobicContact CD1-CB 4.5Å; I355-A380 HydrophobicContact CG1-CB 4.18Å; S376-A380 VanDerWaalsContact O-CB 3.27Å; S376-A380 WeakPolarHBondContact O-CB 3.46Å; S376-A380 PolarHBondContact O-N 3.02Å; V377-A380 PolarHBondContact O-N 3.02Å; A380-F382 VanDerWaalsContact C-N 3.34Å; A380-F382 PolarHBondContact O-N 3.05Å; A380-M383 PolarHBondContact O-N 2.66Å; A380-K384 WeakPolarHBondContact O-CB 3.37Å; A380-K384 PolarHBondContact O-N 3.47Å
381	C	94.2	Very high	91.7	Very high	17 Å²	17	29.5 Å²	29.5	12%	0.115	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-45.7	171.6	-72.4	0	0	0	0	111.4	V377 A378 K384 A385 A397	V377-C381 PolarHBondContact O-N 3.32Å; V377-C381 PolarHBondContact O-SG 3Å; V377-C381 VanDerWaalsContact O-SG 3.38Å; A378-C381 PolarHBondContact O-N 3.38Å; C381-K384 PolarHBondContact O-N 3.02Å; C381-A385 VanDerWaalsContact O-CB 3.3Å; C381-A385 WeakPolarHBondContact O-CB 3.43Å; C381-A385 PolarHBondContact O-N 3.03Å; C381-A397 HydrophobicContact CB-CB 3.79Å
382	F	95	Very high	91.7	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.066	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-49.8	178	179.7	-103	0	0	0	112.4	A378 L379 A380 K384 A385 S386 L394 A397 V465 W468	A378-F382 PolarHBondContact O-N 3.25Å; L379-F382 PolarHBondContact O-N 2.84Å; A380-F382 VanDerWaalsContact C-N 3.34Å; A380-F382 PolarHBondContact O-N 3.05Å; F382-K384 VanDerWaalsContact C-N 3.29Å; F382-K384 PolarHBondContact O-N 3.41Å; F382-A385 PolarHBondContact O-N 3.44Å; F382-A385 VanDerWaalsContact O-N 3.16Å; F382-S386 PolarHBondContact O-N 3.05Å; F382-S386 PolarHBondContact O-OG 3.46Å; F382-L394 HydrophobicContact CD2-CD1 3.78Å; F382-L394 HydrophobicContact CE2-CD1 3.82Å; F382-A397 HydrophobicContact CB-CB 4.03Å; F382-V465 HydrophobicContact CD1-CG2 4.06Å; F382-V465 HydrophobicContact CE1-CB 4.29Å; F382-V465 HydrophobicContact CE1-CG2 3.77Å; F382-W468 HydrophobicContact CB-CD2 4.11Å; F382-W468 HydrophobicContact CB-CE3 3.91Å; F382-W468 HydrophobicContact CB-CH2 3.65Å; F382-W468 HydrophobicContact CB-CZ2 3.86Å; F382-W468 HydrophobicContact CB-CZ3 3.67Å; F382-W468 HydrophobicContact CD1-CD2 4.16Å; F382-W468 AromaticContact CD1-CE3 3.83Å; F382-W468 HydrophobicContact CD1-CE3 3.83Å; F382-W468 HydrophobicContact CD1-CZ3 4.29Å; F382-W468 HydrophobicContact CD2-CB 4.12Å; F382-W468 AromaticContact CD2-CD1 3.68Å; F382-W468 AromaticContact CD2-CD2 3.35Å; F382-W468 HydrophobicContact CD2-CD2 3.35Å; F382-W468 AromaticContact CD2-CE2 3.55Å; F382-W468 AromaticContact CD2-CE3 3.86Å; F382-W468 HydrophobicContact CD2-CE3 3.86Å; F382-W468 AromaticContact CD2-CG 3.45Å; F382-W468 HydrophobicContact CD2-CG 3.45Å; F382-W468 VanDerWaalsContact CD2-CG 3.45Å; F382-W468 HydrophobicContact CD2-CZ2 4.2Å; F382-W468 HydrophobicContact CD2-CZ3 4.46Å; F382-W468 AromaticContact CD2-NE1 3.75Å; F382-W468 HydrophobicContact CE1-CB 4.22Å; F382-W468 HydrophobicContact CE1-CD2 4.48Å; F382-W468 HydrophobicContact CE1-CE3 4.34Å; F382-W468 HydrophobicContact CE1-CG 4.45Å; F382-W468 HydrophobicContact CE2-CB 3.51Å; F382-W468 AromaticContact CE2-CD1 3.62Å; F382-W468 AromaticContact CE2-CD2 3.74Å; F382-W468 HydrophobicContact CE2-CD2 3.74Å; F382-W468 HydrophobicContact CE2-CE3 4.37Å; F382-W468 AromaticContact CE2-CG 3.31Å; F382-W468 HydrophobicContact CE2-CG 3.31Å; F382-W468 AromaticContact CG-CD2 3.59Å; F382-W468 HydrophobicContact CG-CD2 3.59Å; F382-W468 AromaticContact CG-CE2 3.93Å; F382-W468 AromaticContact CG-CE3 3.56Å; F382-W468 HydrophobicContact CG-CE3 3.56Å; F382-W468 HydrophobicContact CG-CG 4.11Å; F382-W468 HydrophobicContact CG-CH2 4.21Å; F382-W468 HydrophobicContact CG-CZ2 4.24Å; F382-W468 AromaticContact CG-CZ3 3.88Å; F382-W468 HydrophobicContact CG-CZ3 3.88Å; F382-W468 HydrophobicContact CZ-CB 3.56Å; F382-W468 HydrophobicContact CZ-CD2 4.29Å; F382-W468 AromaticContact CZ-CG 3.85Å; F382-W468 HydrophobicContact CZ-CG 3.85Å
383	M	92.8	Very high	91.6	Very high	18 Å²	18	38.9 Å²	38.9	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-40.5	178.8	-64.3	-87.7	178.4	0	0	111.7	Y351 L379 A380 A387 K462 V465	Y351-M383 HydrophobicContact CD1-CB 3.88Å; Y351-M383 HydrophobicContact CD1-CG 4.44Å; Y351-M383 HydrophobicContact CD2-CB 4.28Å; Y351-M383 HydrophobicContact CE1-CB 3.48Å; Y351-M383 VanDerWaalsContact CE1-CB 3.48Å; Y351-M383 HydrophobicContact CE1-CG 3.81Å; Y351-M383 HydrophobicContact CE2-CB 3.92Å; Y351-M383 HydrophobicContact CG-CB 4.27Å; L379-M383 HydrophobicContact CD1-CE 3.66Å; L379-M383 HydrophobicContact CD1-CG 4.5Å; L379-M383 HydrophobicContact CG-CE 4.08Å; L379-M383 WeakPolarHBondContact O-CG 3.48Å; L379-M383 PolarHBondContact O-N 3.31Å; A380-M383 PolarHBondContact O-N 2.66Å; M383-A387 PolarHBondContact O-N 3.11Å; M383-A387 VanDerWaalsContact O-N 3.15Å; M383-K462 HydrophobicContact CE-CD 4.06Å; M383-K462 HydrophobicContact SD-CD 4.44Å; M383-K462 PolarHBondContact SD-NZ 3.48Å; M383-K462 VanDerWaalsContact SD-NZ 3.39Å; M383-V465 HydrophobicContact CE-CG2 3.56Å; M383-V465 HydrophobicContact SD-CG2 4.4Å
384	K	92.1	Very high	91.7	Very high	69 Å²	69	41.8 Å²	41.8	30%	0.3	25%	0.245	S	C	.	.	H	α-helix	trans	-66.3	-44.3	175.2	-177.6	175	176.6	172.5	0	112.1	D352 I355 A380 C381 F382 A387 S388	D352-K384 IonicContact OD1-NZ 3.05Å; D352-K384 PolarHBondContact OD1-NZ 3.21Å; D352-K384 IonicContact OD2-NZ 3.89Å; I355-K384 HydrophobicContact CD1-CD 4.42Å; A380-K384 WeakPolarHBondContact O-CB 3.37Å; A380-K384 PolarHBondContact O-N 3.47Å; C381-K384 PolarHBondContact O-N 3.02Å; F382-K384 VanDerWaalsContact C-N 3.29Å; F382-K384 PolarHBondContact O-N 3.41Å; K384-A387 PolarHBondContact O-N 3.14Å; K384-S388 PolarHBondContact O-N 3.36Å
385	A	92.1	Very high	91.7	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-45.2	176.5	0	0	0	0	0	111.7	C381 F382 A387 S388 G389 D393 L394	C381-A385 VanDerWaalsContact O-CB 3.3Å; C381-A385 WeakPolarHBondContact O-CB 3.43Å; C381-A385 PolarHBondContact O-N 3.03Å; F382-A385 PolarHBondContact O-N 3.44Å; F382-A385 VanDerWaalsContact O-N 3.16Å; A385-A387 PolarHBondContact O-N 3.21Å; A385-S388 PolarHBondContact O-N 2.98Å; A385-G389 PolarHBondContact O-N 3.42Å; A385-D393 VanDerWaalsContact CB-C 3.5Å; A385-D393 HydrophobicContact CB-CB 3.89Å; A385-L394 HydrophobicContact CB-CB 4.21Å
386	S	89.2	Confident	91.6	Very high	72 Å²	72	51.3 Å²	51.3	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-29.5	175.2	-57.1	0	0	0	0	113.3	F382	F382-S386 PolarHBondContact O-N 3.05Å; F382-S386 PolarHBondContact O-OG 3.46Å
387	A	88.5	Confident	91.6	Very high	84 Å²	84	51.3 Å²	51.3	69%	0.694	29%	0.288	S	S	*	.	H	α-helix	trans	-81.7	-30.4	175.9	0	0	0	0	0	113.8	M383 K384 A385	M383-A387 PolarHBondContact O-N 3.11Å; M383-A387 VanDerWaalsContact O-N 3.15Å; K384-A387 PolarHBondContact O-N 3.14Å; A385-A387 PolarHBondContact O-N 3.21Å
388	S	88.3	Confident	91.7	Very high	70 Å²	70	53 Å²	53	49%	0.49	30%	0.298	S	S	.	.	H	α-helix	trans	-84.3	-35.3	177.9	-155.7	0	0	0	0	112.9	K384 A385 D390	K384-S388 PolarHBondContact O-N 3.36Å; A385-S388 PolarHBondContact O-N 2.98Å; S388-D390 VanDerWaalsContact C-N 3.31Å; S388-D390 PolarHBondContact OG-OD2 3.02Å
389	G	85.6	Confident	91.6	Very high	65 Å²	65	59.4 Å²	59.4	67%	0.67	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	12.3	-171	0	0	0	0	0	114.4	A385	A385-G389 PolarHBondContact O-N 3.42Å
390	D	88.6	Confident	91.6	Very high	58 Å²	58	62.6 Å²	62.6	31%	0.31	34%	0.341	S	S	.	.			trans	-85.8	113.8	179.4	-84.1	-89.9	0	0	0	112	S388 R392 D393 L394	S388-D390 VanDerWaalsContact C-N 3.31Å; S388-D390 PolarHBondContact OG-OD2 3.02Å; D390-R392 PolarHBondContact O-N 2.97Å; D390-R392 IonicContact OD1-NH2 2.78Å; D390-R392 PolarHBondContact OD1-NH2 3.35Å; D390-D393 HydrophobicContact CB-CB 4.35Å; D390-D393 PolarHBondContact O-N 3.48Å; D390-L394 PolarHBondContact O-N 3.33Å
391	D	88.3	Confident	91.7	Very high	121 Å²	121	62.7 Å²	62.7	65%	0.647	34%	0.342	S	S	*	.	H	α-helix	trans	-50.8	-33.3	173.3	-69.2	-32.8	0	0	0	113.3	D393 L394 Q395	D391-D393 VanDerWaalsContact C-N 3.33Å; D391-D393 PolarHBondContact O-N 3.23Å; D391-L394 PolarHBondContact O-N 3.31Å; D391-Q395 VanDerWaalsContact O-CG 3.3Å; D391-Q395 WeakPolarHBondContact O-CG 3.12Å; D391-Q395 PolarHBondContact O-N 2.89Å
392	R	90.5	Very high	91.7	Very high	167 Å²	167	65 Å²	65	63%	0.63	35%	0.348	S	S	*	.	H	α-helix	trans	-70.4	-26.2	-179.9	-66.8	177.4	-63.1	167.7	3.5	113.5	D390 K396	D390-R392 PolarHBondContact O-N 2.97Å; D390-R392 IonicContact OD1-NH2 2.78Å; D390-R392 PolarHBondContact OD1-NH2 3.35Å; R392-K396 WeakPolarHBondContact O-CE 3.31Å; R392-K396 WeakPolarHBondContact O-CG 3.46Å
393	D	90	Very high	91.6	Very high	34 Å²	34	66.3 Å²	66.3	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-87.4	-29.3	174.6	-79.6	11	0	0	0	110.5	A385 D390 D391 K396 A397	A385-D393 VanDerWaalsContact CB-C 3.5Å; A385-D393 HydrophobicContact CB-CB 3.89Å; D390-D393 HydrophobicContact CB-CB 4.35Å; D390-D393 PolarHBondContact O-N 3.48Å; D391-D393 VanDerWaalsContact C-N 3.33Å; D391-D393 PolarHBondContact O-N 3.23Å; D393-K396 PolarHBondContact O-N 3.19Å; D393-K396 IonicContact OD1-NZ 3.19Å; D393-K396 PolarHBondContact OD1-NZ 3.42Å; D393-A397 PolarHBondContact O-N 3.2Å
394	L	91.6	Very high	91.6	Very high	62 Å²	62	65.5 Å²	65.5	33%	0.325	36%	0.358	S	S	.	.	H	α-helix	trans	-64.1	-40.1	168.9	-176.6	61.4	0	0	0	111.8	F382 A385 D390 D391 K396 A397 D398	F382-L394 HydrophobicContact CD2-CD1 3.78Å; F382-L394 HydrophobicContact CE2-CD1 3.82Å; A385-L394 HydrophobicContact CB-CB 4.21Å; D390-L394 PolarHBondContact O-N 3.33Å; D391-L394 PolarHBondContact O-N 3.31Å; L394-K396 PolarHBondContact O-N 2.68Å; L394-A397 WeakPolarHBondContact O-CB 3.32Å; L394-A397 PolarHBondContact O-N 3.18Å; L394-D398 PolarHBondContact O-N 3.24Å
395	Q	92.8	Very high	91.7	Very high	116 Å²	116	62.2 Å²	62.2	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-59.2	-44.3	173	-75.9	167.9	3.5	0	0	112.2	D391 A397 D398 E399	D391-Q395 VanDerWaalsContact O-CG 3.3Å; D391-Q395 WeakPolarHBondContact O-CG 3.12Å; D391-Q395 PolarHBondContact O-N 2.89Å; Q395-A397 VanDerWaalsContact C-N 3.31Å; Q395-A397 PolarHBondContact O-N 3.32Å; Q395-D398 WeakPolarHBondContact O-CB 3.48Å; Q395-D398 PolarHBondContact O-N 3.35Å; Q395-E399 WeakPolarHBondContact O-CG 3.44Å; Q395-E399 PolarHBondContact O-N 3.16Å
396	K	93.1	Very high	91.7	Very high	105 Å²	105	62.6 Å²	62.6	46%	0.457	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-35	174.7	-64.7	165.7	-162.4	163.8	0	112.5	R392 D393 L394 K400	R392-K396 WeakPolarHBondContact O-CE 3.31Å; R392-K396 WeakPolarHBondContact O-CG 3.46Å; D393-K396 PolarHBondContact O-N 3.19Å; D393-K396 IonicContact OD1-NZ 3.19Å; D393-K396 PolarHBondContact OD1-NZ 3.42Å; L394-K396 PolarHBondContact O-N 2.68Å; K396-K400 WeakPolarHBondContact O-CB 3.49Å; K396-K400 WeakPolarHBondContact O-CG 3.48Å; K396-K400 PolarHBondContact O-N 3.21Å
397	A	93.9	Very high	91.7	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-44.5	174.5	0	0	0	0	0	111.1	C381 F382 D393 L394 Q395 K400 L401 W468	C381-A397 HydrophobicContact CB-CB 3.79Å; F382-A397 HydrophobicContact CB-CB 4.03Å; D393-A397 PolarHBondContact O-N 3.2Å; L394-A397 WeakPolarHBondContact O-CB 3.32Å; L394-A397 PolarHBondContact O-N 3.18Å; Q395-A397 VanDerWaalsContact C-N 3.31Å; Q395-A397 PolarHBondContact O-N 3.32Å; A397-K400 PolarHBondContact O-N 2.98Å; A397-L401 WeakPolarHBondContact O-CB 3.42Å; A397-L401 PolarHBondContact O-N 3.07Å; A397-W468 HydrophobicContact CB-CZ2 4.05Å
398	D	94.7	Very high	91.9	Very high	37 Å²	37	56 Å²	56	20%	0.198	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-41.9	174	-82.1	-20.8	0	0	0	112.5	L394 Q395 L401 Y402 W468 R475	L394-D398 PolarHBondContact O-N 3.24Å; Q395-D398 WeakPolarHBondContact O-CB 3.48Å; Q395-D398 PolarHBondContact O-N 3.35Å; D398-L401 PolarHBondContact O-N 3.05Å; D398-Y402 WeakPolarHBondContact O-CB 3.47Å; D398-Y402 PolarHBondContact O-N 2.94Å; D398-W468 PolarHBondContact OD1-NE1 3.23Å; D398-R475 VanDerWaalsContact CG-NH1 3.34Å; D398-R475 VanDerWaalsContact CG-NH2 3.32Å; D398-R475 IonicContact OD1-CZ 2.7Å; D398-R475 IonicContact OD1-NH1 3.57Å; D398-R475 IonicContact OD1-NH2 2.65Å; D398-R475 PolarHBondContact OD1-NH2 3.43Å; D398-R475 IonicContact OD2-CZ 3.73Å; D398-R475 IonicContact OD2-NH1 2.68Å; D398-R475 PolarHBondContact OD2-NH1 3.42Å; D398-R475 IonicContact OD2-NH2 2.76Å; D398-R475 PolarHBondContact OD2-NH2 2.66Å
399	E	94.6	Very high	92.1	Very high	133 Å²	133	52.7 Å²	52.7	62%	0.621	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-47.1	173.9	-73.7	170.2	176.6	0	0	111.9	Q395 Y402 A403	Q395-E399 WeakPolarHBondContact O-CG 3.44Å; Q395-E399 PolarHBondContact O-N 3.16Å; E399-Y402 PolarHBondContact O-N 3.45Å; E399-A403 PolarHBondContact O-N 3.41Å
400	K	94	Very high	92.4	Very high	68 Å²	68	49.7 Å²	49.7	30%	0.296	24%	0.238	S	C	.	.	H	α-helix	trans	-65.9	-38.9	177.4	-77.4	-64.8	-164	175.8	0	112.6	E358 V377 A378 K396 A397 A403 A404	E358-K400 IonicContact OE1-NZ 3.39Å; E358-K400 PolarHBondContact OE1-NZ 3.01Å; E358-K400 WeakPolarHBondContact OE2-CE 3.16Å; E358-K400 IonicContact OE2-NZ 3.35Å; E358-K400 PolarHBondContact OE2-NZ 3.21Å; V377-K400 HydrophobicContact CG1-CD 4.18Å; V377-K400 HydrophobicContact CG1-CG 4.43Å; A378-K400 HydrophobicContact CB-CB 3.97Å; K396-K400 WeakPolarHBondContact O-CB 3.49Å; K396-K400 WeakPolarHBondContact O-CG 3.48Å; K396-K400 PolarHBondContact O-N 3.21Å; A397-K400 PolarHBondContact O-N 2.98Å; K400-A403 PolarHBondContact O-N 3.29Å; K400-A404 WeakPolarHBondContact O-CB 3.13Å; K400-A404 PolarHBondContact O-N 3.02Å
401	L	95.6	Very high	92.5	Very high	2 Å²	2	47 Å²	47	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-42	173.8	179.7	61.2	0	0	0	111	Y375 A378 A397 D398 A403 A404 L405 W468 L469	Y375-L401 HydrophobicContact CE1-CD1 4.48Å; A378-L401 HydrophobicContact CB-CB 4.18Å; A397-L401 WeakPolarHBondContact O-CB 3.42Å; A397-L401 PolarHBondContact O-N 3.07Å; D398-L401 PolarHBondContact O-N 3.05Å; L401-A403 PolarHBondContact O-N 3.04Å; L401-A404 PolarHBondContact O-N 2.88Å; L401-L405 HydrophobicContact CD1-CD1 4.35Å; L401-L405 HydrophobicContact CD1-CG 4.32Å; L401-L405 HydrophobicContact CG-CD1 4.01Å; L401-L405 HydrophobicContact CG-CG 4.45Å; L401-L405 WeakPolarHBondContact O-CB 3.2Å; L401-L405 VanDerWaalsContact O-CG 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.46Å; L401-L405 PolarHBondContact O-N 2.66Å; L401-W468 HydrophobicContact CB-CH2 3.94Å; L401-W468 HydrophobicContact CB-CZ2 3.67Å; L401-W468 HydrophobicContact CD1-CH2 4.35Å; L401-W468 HydrophobicContact CD2-CD2 4.22Å; L401-W468 HydrophobicContact CD2-CE3 4.45Å; L401-W468 HydrophobicContact CD2-CH2 3.87Å; L401-W468 HydrophobicContact CD2-CZ2 3.57Å; L401-W468 HydrophobicContact CD2-CZ3 4.3Å; L401-W468 HydrophobicContact CG-CH2 4.26Å; L401-W468 HydrophobicContact CG-CZ2 4.16Å; L401-L469 HydrophobicContact CD1-CD1 4.19Å
402	Y	94.2	Very high	92.7	Very high	65 Å²	65	41.3 Å²	41.3	26%	0.255	19%	0.193	S	C	.	.	H	α-helix	trans	-61.1	-43.6	176	-173	-94.6	0	0	0	111.8	D398 E399 L405 M406 F476 K479 M487	D398-Y402 WeakPolarHBondContact O-CB 3.47Å; D398-Y402 PolarHBondContact O-N 2.94Å; E399-Y402 PolarHBondContact O-N 3.45Å; Y402-L405 PolarHBondContact O-N 3.31Å; Y402-M406 HydrophobicContact CD1-CG 4.02Å; Y402-M406 HydrophobicContact CE1-CG 3.72Å; Y402-M406 HydrophobicContact CE1-SD 4.04Å; Y402-M406 VanDerWaalsContact O-CG 3.29Å; Y402-M406 WeakPolarHBondContact O-CG 3.42Å; Y402-M406 PolarHBondContact O-N 2.93Å; Y402-F476 AromaticContact CD2-CD2 3.92Å; Y402-F476 HydrophobicContact CD2-CD2 3.92Å; Y402-F476 AromaticContact CE2-CD2 3.74Å; Y402-F476 HydrophobicContact CE2-CD2 3.74Å; Y402-F476 HydrophobicContact CE2-CE2 4.47Å; Y402-K479 HydrophobicContact CE2-CD 3.77Å; Y402-M487 HydrophobicContact CE2-CE 4.43Å
403	A	92.7	Very high	92.7	Very high	43 Å²	43	34.8 Å²	34.8	36%	0.355	17%	0.172	S	C	.	.	H	α-helix	trans	-61.4	-43.7	174.3	0	0	0	0	0	112.4	E399 K400 L401 L405 M406 Q407	E399-A403 PolarHBondContact O-N 3.41Å; K400-A403 PolarHBondContact O-N 3.29Å; L401-A403 PolarHBondContact O-N 3.04Å; A403-L405 VanDerWaalsContact C-N 3.34Å; A403-L405 PolarHBondContact O-N 3.1Å; A403-M406 PolarHBondContact O-N 3.1Å; A403-Q407 WeakPolarHBondContact O-CB 3.31Å; A403-Q407 PolarHBondContact O-N 3.4Å
404	A	94	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-38	176.4	0	0	0	0	0	112.8	K374 Y375 K400 L401 F408	K374-A404 HydrophobicContact CB-CB 4.02Å; Y375-A404 HydrophobicContact CD2-CB 3.89Å; Y375-A404 HydrophobicContact CE2-CB 3.82Å; Y375-A404 HydrophobicContact CG-CB 4.29Å; K400-A404 WeakPolarHBondContact O-CB 3.13Å; K400-A404 PolarHBondContact O-N 3.02Å; L401-A404 PolarHBondContact O-N 2.88Å; A404-F408 PolarHBondContact O-N 3.48Å
405	L	93.3	Very high	92.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-39.9	174.7	-71.5	167.3	0	0	0	112.5	L401 Y402 A403 P409 V412 F433 I473 F476	L401-L405 HydrophobicContact CD1-CD1 4.35Å; L401-L405 HydrophobicContact CD1-CG 4.32Å; L401-L405 HydrophobicContact CG-CD1 4.01Å; L401-L405 HydrophobicContact CG-CG 4.45Å; L401-L405 WeakPolarHBondContact O-CB 3.2Å; L401-L405 VanDerWaalsContact O-CG 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.46Å; L401-L405 PolarHBondContact O-N 2.66Å; Y402-L405 PolarHBondContact O-N 3.31Å; A403-L405 VanDerWaalsContact C-N 3.34Å; A403-L405 PolarHBondContact O-N 3.1Å; L405-P409 WeakPolarHBondContact O-CA 3.17Å; L405-P409 WeakPolarHBondContact O-CB 3.26Å; L405-P409 WeakPolarHBondContact O-CD 3.37Å; L405-V412 HydrophobicContact CD2-CG2 3.34Å; L405-F433 HydrophobicContact CD2-CE1 4.38Å; L405-F433 HydrophobicContact CD2-CZ 4.43Å; L405-I473 HydrophobicContact CD2-CG1 4.19Å; L405-F476 HydrophobicContact CB-CD2 3.61Å; L405-F476 HydrophobicContact CB-CE2 3.69Å; L405-F476 HydrophobicContact CB-CG 4.27Å; L405-F476 HydrophobicContact CB-CZ 4.39Å; L405-F476 HydrophobicContact CD1-CB 4.03Å; L405-F476 HydrophobicContact CD1-CD2 4.19Å; L405-F476 HydrophobicContact CD1-CG 4.26Å
406	M	91.5	Very high	92.5	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.054	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-41.9	175.1	-72	-68.8	-65.2	0	0	112	Y402 A403 F476 M487 T490 L491 H494	Y402-M406 HydrophobicContact CD1-CG 4.02Å; Y402-M406 HydrophobicContact CE1-CG 3.72Å; Y402-M406 HydrophobicContact CE1-SD 4.04Å; Y402-M406 VanDerWaalsContact O-CG 3.29Å; Y402-M406 WeakPolarHBondContact O-CG 3.42Å; Y402-M406 PolarHBondContact O-N 2.93Å; A403-M406 PolarHBondContact O-N 3.1Å; M406-F476 HydrophobicContact CG-CE2 3.96Å; M406-F476 HydrophobicContact SD-CE2 3.62Å; M406-F476 HydrophobicContact SD-CZ 4.24Å; M406-M487 HydrophobicContact CE-CG 3.86Å; M406-M487 HydrophobicContact SD-CE 3.83Å; M406-M487 HydrophobicContact SD-CG 3.74Å; M406-T490 HydrophobicContact CE-CG2 3.5Å; M406-T490 VanDerWaalsContact CE-CG2 3.5Å; M406-L491 HydrophobicContact CE-CD2 4.14Å; M406-L491 HydrophobicContact CE-CG 3.79Å; M406-L491 HydrophobicContact SD-CD2 4.02Å; M406-L491 HydrophobicContact SD-CG 4.09Å; M406-H494 PolarHBondContact O-CD2 3.2Å
407	Q	90.4	Very high	92.3	Very high	17 Å²	17	26.6 Å²	26.6	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-82.1	-39.9	-173.9	-166.2	178.6	-4.4	0	0	113.1	D368 K374 A403 R498	D368-Q407 PolarHBondContact O-NE2 3.41Å; D368-Q407 PolarHBondContact O-OE1 3.04Å; K374-Q407 VanDerWaalsContact CE-OE1 3.3Å; A403-Q407 WeakPolarHBondContact O-CB 3.31Å; A403-Q407 PolarHBondContact O-N 3.4Å; Q407-R498 WeakPolarHBondContact O-CD 3.44Å; Q407-R498 PolarHBondContact O-NH1 2.94Å
408	F	92.7	Very high	92.1	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	15%	0.152	C	C	.	.			trans	-137.2	69.9	-177.3	-53.1	-74.1	0	0	0	111.5	L369 P371 K374 Y375 A404 T410 M411 L445 R498 Y502	L369-F408 WeakPolarHBondContact O-CZ 3.37Å; P371-F408 HydrophobicContact CB-CB 4.29Å; P371-F408 HydrophobicContact CB-CD1 4.13Å; P371-F408 HydrophobicContact CB-CD2 3.85Å; P371-F408 HydrophobicContact CB-CE1 4.4Å; P371-F408 HydrophobicContact CB-CE2 4.12Å; P371-F408 HydrophobicContact CB-CG 3.84Å; P371-F408 HydrophobicContact CB-CZ 4.39Å; K374-F408 HydrophobicContact CG-CE2 4.18Å; Y375-F408 HydrophobicContact CE2-CB 4.17Å; Y375-F408 PolarHBondContact OH-O 2.69Å; A404-F408 PolarHBondContact O-N 3.48Å; F408-T410 VanDerWaalsContact C-N 3.29Å; F408-T410 PolarHBondContact O-N 2.82Å; F408-M411 WeakPolarHBondContact O-CB 3.37Å; F408-M411 PolarHBondContact O-N 3.49Å; F408-L445 HydrophobicContact CD1-CD1 3.79Å; F408-L445 HydrophobicContact CD1-CD2 3.99Å; F408-L445 HydrophobicContact CE1-CD1 3.91Å; F408-L445 HydrophobicContact CE1-CD2 4.33Å; F408-R498 HydrophobicContact CD1-CG 4.44Å; F408-Y502 HydrophobicContact CE1-CE2 4.33Å
409	P	92.1	Very high	91.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.2	-178.6	25.9	-33.5	0	0	0	112.8	L405 M411 V412 Y432 F433	L405-P409 WeakPolarHBondContact O-CA 3.17Å; L405-P409 WeakPolarHBondContact O-CB 3.26Å; L405-P409 WeakPolarHBondContact O-CD 3.37Å; P409-M411 PolarHBondContact O-N 3.08Å; P409-M411 VanDerWaalsContact O-N 3.12Å; P409-V412 WeakPolarHBondContact O-CB 3.32Å; P409-V412 PolarHBondContact O-N 3.47Å; P409-Y432 HydrophobicContact CG-CD1 4.15Å; P409-Y432 HydrophobicContact CG-CG 4.41Å; P409-F433 HydrophobicContact CB-CD1 4.08Å; P409-F433 HydrophobicContact CB-CE1 3.79Å; P409-F433 WeakPolarHBondContact O-CD1 3.47Å
410	T	90.9	Very high	91.6	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.8	-179.4	46.7	0	0	0	0	114.4	F408 V412 E437 Q438 D441 I449	F408-T410 VanDerWaalsContact C-N 3.29Å; F408-T410 PolarHBondContact O-N 2.82Å; T410-V412 VanDerWaalsContact C-N 3.33Å; T410-E437 HydrophobicContact CG2-CB 4.07Å; T410-E437 HydrophobicContact CG2-CG 3.71Å; T410-Q438 HydrophobicContact CG2-CB 4.43Å; T410-Q438 HydrophobicContact CG2-CG 3.81Å; T410-D441 VanDerWaalsContact CB-OD2 3.31Å; T410-D441 WeakPolarHBondContact CB-OD2 3.1Å; T410-D441 WeakPolarHBondContact CG2-OD2 3.14Å; T410-D441 PolarHBondContact OG1-OD2 3.26Å; T410-I449 WeakPolarHBondContact OG1-CD1 3.33Å
411	M	92	Very high	91.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-36.2	166.9	-177	77.6	96.3	0	0	112.2	P371 Y375 F408 P409 A414 L415 I449 Y452	P371-M411 HydrophobicContact CB-CE 3.76Å; P371-M411 VanDerWaalsContact O-CE 3.29Å; P371-M411 WeakPolarHBondContact O-CE 3.22Å; Y375-M411 HydrophobicContact CD1-CG 4.1Å; Y375-M411 HydrophobicContact CD2-CB 4.4Å; Y375-M411 HydrophobicContact CD2-CE 3.61Å; Y375-M411 HydrophobicContact CD2-CG 3.98Å; Y375-M411 HydrophobicContact CE1-CB 4.27Å; Y375-M411 HydrophobicContact CE1-CG 3.87Å; Y375-M411 HydrophobicContact CE2-CB 3.71Å; Y375-M411 HydrophobicContact CE2-CE 4.14Å; Y375-M411 HydrophobicContact CE2-CG 3.75Å; Y375-M411 HydrophobicContact CG-CE 3.94Å; Y375-M411 HydrophobicContact CG-CG 4.15Å; F408-M411 WeakPolarHBondContact O-CB 3.37Å; F408-M411 PolarHBondContact O-N 3.49Å; P409-M411 PolarHBondContact O-N 3.08Å; P409-M411 VanDerWaalsContact O-N 3.12Å; M411-A414 PolarHBondContact O-N 3.38Å; M411-L415 HydrophobicContact CG-CD1 3.68Å; M411-L415 HydrophobicContact CG-CG 4.06Å; M411-L415 PolarHBondContact O-N 3.15Å; M411-L415 HydrophobicContact SD-CD1 4.46Å; M411-L415 HydrophobicContact SD-CG 4.41Å; M411-I449 HydrophobicContact CB-CG1 4.46Å; M411-I449 HydrophobicContact SD-CB 4.24Å; M411-I449 HydrophobicContact SD-CG1 4.07Å; M411-I449 HydrophobicContact SD-CG2 3.92Å; M411-Y452 HydrophobicContact CE-CD1 3.25Å; M411-Y452 HydrophobicContact CE-CE1 3.79Å; M411-Y452 HydrophobicContact CE-CG 3.77Å; M411-Y452 HydrophobicContact SD-CD1 3.52Å; M411-Y452 VanDerWaalsContact SD-CD1 3.52Å; M411-Y452 HydrophobicContact SD-CE1 4.27Å; M411-Y452 HydrophobicContact SD-CG 4.29Å
412	V	92.2	Very high	90.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-50.9	-172	166.3	0	0	0	0	112.5	L405 P409 T410 A414 L415 L416 M427 F433 I473	L405-V412 HydrophobicContact CD2-CG2 3.34Å; P409-V412 WeakPolarHBondContact O-CB 3.32Å; P409-V412 PolarHBondContact O-N 3.47Å; T410-V412 VanDerWaalsContact C-N 3.33Å; V412-A414 VanDerWaalsContact C-N 3.28Å; V412-A414 PolarHBondContact O-N 3.01Å; V412-L415 PolarHBondContact O-N 3.33Å; V412-L416 HydrophobicContact CG1-CD1 3.61Å; V412-L416 HydrophobicContact CG1-CG 4.3Å; V412-L416 WeakPolarHBondContact O-CB 3.44Å; V412-L416 VanDerWaalsContact O-CG 3.28Å; V412-L416 WeakPolarHBondContact O-CG 3.41Å; V412-L416 PolarHBondContact O-N 3.37Å; V412-M427 HydrophobicContact CG1-SD 4.45Å; V412-F433 HydrophobicContact CB-CD1 3.97Å; V412-F433 HydrophobicContact CB-CE1 4.02Å; V412-F433 HydrophobicContact CG1-CD1 4.23Å; V412-F433 HydrophobicContact CG1-CE1 4.36Å; V412-F433 HydrophobicContact CG2-CD1 4.45Å; V412-F433 HydrophobicContact CG2-CE1 3.99Å; V412-I473 HydrophobicContact CB-CD1 4.48Å; V412-I473 HydrophobicContact CG1-CD1 3.54Å; V412-I473 HydrophobicContact CG1-CG1 4.12Å; V412-I473 HydrophobicContact CG1-CG2 4.42Å; V412-I473 HydrophobicContact CG2-CD1 4.08Å; V412-I473 HydrophobicContact CG2-CG1 4.09Å
413	P	90.2	Very high	89.8	Confident	30 Å²	30	34.3 Å²	34.3	20%	0.195	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-31.8	177.3	-20.8	32.6	0	0	0	113.2	N417 F433	P413-N417 WeakPolarHBondContact O-CB 3.13Å; P413-N417 PolarHBondContact O-N 2.88Å; P413-F433 HydrophobicContact CG-CB 4.14Å; P413-F433 WeakPolarHBondContact CG-O 3.45Å
414	A	89.7	Confident	89.1	Confident	11 Å²	11	38.8 Å²	38.8	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-44.3	177.2	0	0	0	0	0	112	M411 V412 K418 I449 A453	M411-A414 PolarHBondContact O-N 3.38Å; V412-A414 VanDerWaalsContact C-N 3.28Å; V412-A414 PolarHBondContact O-N 3.01Å; A414-K418 PolarHBondContact O-N 3.03Å; A414-K418 VanDerWaalsContact O-N 3.11Å; A414-I449 HydrophobicContact CB-CG2 3.36Å; A414-A453 HydrophobicContact CB-CB 4.45Å
415	L	91.1	Very high	88.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-50.7	171.8	-75.8	172.5	0	0	0	111.1	Y375 M411 V412 N417 K418 L419 Y452 A453 W460	Y375-L415 HydrophobicContact CD1-CD1 4.27Å; Y375-L415 HydrophobicContact CE1-CD1 4.4Å; M411-L415 HydrophobicContact CG-CD1 3.68Å; M411-L415 HydrophobicContact CG-CG 4.06Å; M411-L415 PolarHBondContact O-N 3.15Å; M411-L415 HydrophobicContact SD-CD1 4.46Å; M411-L415 HydrophobicContact SD-CG 4.41Å; V412-L415 PolarHBondContact O-N 3.33Å; L415-N417 VanDerWaalsContact C-N 3.32Å; L415-N417 PolarHBondContact O-N 3.45Å; L415-K418 PolarHBondContact O-N 3.28Å; L415-L419 HydrophobicContact CB-CD1 4.49Å; L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 WeakPolarHBondContact O-CD1 3.45Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.02Å; L415-Y452 HydrophobicContact CD2-CD1 4.37Å; L415-Y452 HydrophobicContact CD2-CE1 4.39Å; L415-A453 HydrophobicContact CD2-CB 3.93Å; L415-A453 HydrophobicContact CG-CB 4.41Å; L415-W460 HydrophobicContact CD2-CG 4.35Å
416	L	90.2	Very high	87.4	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-36.7	-178.3	-68.2	170.9	0	0	0	112.8	V412 L419 Q420 V421 M427	V412-L416 HydrophobicContact CG1-CD1 3.61Å; V412-L416 HydrophobicContact CG1-CG 4.3Å; V412-L416 WeakPolarHBondContact O-CB 3.44Å; V412-L416 VanDerWaalsContact O-CG 3.28Å; V412-L416 WeakPolarHBondContact O-CG 3.41Å; V412-L416 PolarHBondContact O-N 3.37Å; L416-L419 CarbonylContact O-C 3.28Å; L416-L419 PolarHBondContact O-N 3.32Å; L416-Q420 PolarHBondContact O-N 3.22Å; L416-V421 HydrophobicContact CD2-CB 3.9Å; L416-V421 HydrophobicContact CD2-CG1 3.82Å; L416-V421 PolarHBondContact O-N 3.1Å; L416-M427 HydrophobicContact CD1-CE 3.72Å; L416-M427 HydrophobicContact CD1-SD 3.32Å; L416-M427 WeakPolarHBondContact CD1-SD 3.41Å
417	N	89.2	Confident	86.6	Confident	128 Å²	128	43.4 Å²	43.4	68%	0.684	24%	0.236	S	C	*	.	H	α-helix	trans	-63.1	-48.5	173.2	-174.1	7.1	0	0	0	111.6	P413 L415 L419 Q420	P413-N417 WeakPolarHBondContact O-CB 3.13Å; P413-N417 PolarHBondContact O-N 2.88Å; L415-N417 VanDerWaalsContact C-N 3.32Å; L415-N417 PolarHBondContact O-N 3.45Å; N417-L419 VanDerWaalsContact C-N 3.28Å; N417-L419 PolarHBondContact O-N 2.81Å; N417-Q420 PolarHBondContact O-N 3.44Å
418	K	88.5	Confident	85.9	Confident	66 Å²	66	48.4 Å²	48.4	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-27.7	175.4	-71.3	-70.1	-177.1	178	0	113.1	A414 L415 Q420 A453 Q454 W457 D520	A414-K418 PolarHBondContact O-N 3.03Å; A414-K418 VanDerWaalsContact O-N 3.11Å; L415-K418 PolarHBondContact O-N 3.28Å; K418-Q420 VanDerWaalsContact C-N 3.34Å; K418-A453 HydrophobicContact CG-CB 4.24Å; K418-Q454 HydrophobicContact CD-CG 4.46Å; K418-W457 HydrophobicContact CB-CB 4.21Å; K418-D520 IonicContact NZ-OD2 2.77Å; K418-D520 PolarHBondContact NZ-OD2 3.05Å
419	L	89.9	Confident	85.1	Confident	13 Å²	13	54.4 Å²	54.4	7%	0.068	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8.5	172.1	-67.6	165	0	0	0	113.7	L415 L416 N417 V421 W457 W460 N461 L466	L415-L419 HydrophobicContact CB-CD1 4.49Å; L415-L419 WeakPolarHBondContact O-CB 3.49Å; L415-L419 WeakPolarHBondContact O-CD1 3.45Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.02Å; L416-L419 CarbonylContact O-C 3.28Å; L416-L419 PolarHBondContact O-N 3.32Å; N417-L419 VanDerWaalsContact C-N 3.28Å; N417-L419 PolarHBondContact O-N 2.81Å; L419-V421 HydrophobicContact CB-CB 4.45Å; L419-V421 HydrophobicContact CB-CG2 3.91Å; L419-V421 PolarHBondContact O-N 2.84Å; L419-W457 HydrophobicContact CD2-CB 4.3Å; L419-W457 WeakPolarHBondContact CD2-O 3.32Å; L419-W460 HydrophobicContact CD1-CB 4.18Å; L419-W460 HydrophobicContact CD2-CB 4.24Å; L419-N461 HydrophobicContact CD2-CB 3.59Å; L419-N461 WeakPolarHBondContact CD2-OD1 3.34Å; L419-L466 HydrophobicContact CD1-CD1 4.12Å
420	Q	88.4	Confident	84.7	Confident	180 Å²	180	54.7 Å²	54.7	84%	0.841	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	28.4	-173.7	-53.8	-176.7	2.5	0	0	114.1	L416 N417 K418	L416-Q420 PolarHBondContact O-N 3.22Å; N417-Q420 PolarHBondContact O-N 3.44Å; K418-Q420 VanDerWaalsContact C-N 3.34Å
421	V	86.6	Confident	84.2	Confident	26 Å²	26	58.1 Å²	58.1	16%	0.158	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-91.8	124.7	-179.7	172.9	0	0	0	0	109.8	L416 L419 L466	L416-V421 HydrophobicContact CD2-CB 3.9Å; L416-V421 HydrophobicContact CD2-CG1 3.82Å; L416-V421 PolarHBondContact O-N 3.1Å; L419-V421 HydrophobicContact CB-CB 4.45Å; L419-V421 HydrophobicContact CB-CG2 3.91Å; L419-V421 PolarHBondContact O-N 2.84Å; V421-L466 HydrophobicContact CG2-CD1 4.34Å; V421-L466 HydrophobicContact CG2-CD2 4.14Å
422	I	82.7	Confident	83.8	Confident	127 Å²	127	59.6 Å²	59.6	65%	0.651	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-67.6	130.2	174.6	-58.2	176.3	0	0	0	109
423	P	77.5	Confident	83.3	Confident	56 Å²	56	60.4 Å²	60.4	36%	0.364	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-72.2	131.7	173.5	28.4	-33.3	0	0	0	110.8	M427 L428	P423-M427 HydrophobicContact CB-SD 3.52Å; P423-M427 VanDerWaalsContact CB-SD 3.52Å; P423-L428 HydrophobicContact CB-CD2 4Å; P423-L428 HydrophobicContact CG-CD2 3.9Å
424	E	78.5	Confident	82.9	Confident	136 Å²	136	60.2 Å²	60.2	64%	0.636	33%	0.328	S	S	*	.			trans	-129.4	161.5	-172	-72.1	176.1	-171.7	0	0	112.3	N426 M427	E424-N426 PolarHBondContact O-N 3.04Å; E424-M427 WeakPolarHBondContact O-CB 3.45Å; E424-M427 PolarHBondContact O-N 3.02Å
425	G	74.3	Confident	82.4	Confident	51 Å²	51	62.7 Å²	62.7	53%	0.526	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	60.9	-131.9	167.3	0	0	0	0	0	114.7	M427 L428	G425-M427 PolarHBondContact O-N 3.08Å; G425-L428 PolarHBondContact O-N 2.9Å
426	N	76.6	Confident	81.9	Confident	36 Å²	36	66.4 Å²	66.4	19%	0.193	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-66.5	-23.3	-175.5	-58.8	-49.2	0	0	0	112.9	E424 L428 Q429 D474 A477 R481	E424-N426 PolarHBondContact O-N 3.04Å; N426-L428 VanDerWaalsContact C-N 3.29Å; N426-L428 PolarHBondContact O-N 3.39Å; N426-Q429 PolarHBondContact O-N 3.04Å; N426-D474 WeakPolarHBondContact CB-OD1 3.46Å; N426-D474 PolarHBondContact ND2-OD1 3.36Å; N426-A477 HydrophobicContact CB-CB 3.79Å; N426-R481 VanDerWaalsContact OD1-CZ 3.23Å; N426-R481 PolarHBondContact OD1-NH1 2.7Å; N426-R481 PolarHBondContact OD1-NH2 2.93Å
427	M	75.9	Confident	81.5	Confident	22 Å²	22	67.3 Å²	67.3	11%	0.108	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-58.8	-39.7	179.9	-168.4	-168	-55.9	0	0	112.3	V412 L416 P423 E424 G425 Q429 C430 F433 I473	V412-M427 HydrophobicContact CG1-SD 4.45Å; L416-M427 HydrophobicContact CD1-CE 3.72Å; L416-M427 HydrophobicContact CD1-SD 3.32Å; L416-M427 WeakPolarHBondContact CD1-SD 3.41Å; P423-M427 HydrophobicContact CB-SD 3.52Å; P423-M427 VanDerWaalsContact CB-SD 3.52Å; E424-M427 WeakPolarHBondContact O-CB 3.45Å; E424-M427 PolarHBondContact O-N 3.02Å; G425-M427 PolarHBondContact O-N 3.08Å; M427-Q429 PolarHBondContact O-N 3.26Å; M427-Q429 VanDerWaalsContact O-N 3.16Å; M427-C430 PolarHBondContact O-N 2.83Å; M427-F433 HydrophobicContact CG-CD2 3.78Å; M427-F433 HydrophobicContact CG-CE2 4.38Å; M427-F433 HydrophobicContact CG-CG 4.46Å; M427-I473 HydrophobicContact CB-CG2 4.37Å; M427-I473 HydrophobicContact CE-CB 4.45Å; M427-I473 HydrophobicContact CE-CD1 4.24Å; M427-I473 HydrophobicContact CE-CG2 3.86Å; M427-I473 HydrophobicContact CG-CG2 3.87Å; M427-I473 HydrophobicContact SD-CG2 4.41Å
428	L	74	Confident	81.1	Confident	122 Å²	122	64.1 Å²	64.1	64%	0.639	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-66	-12.7	178.2	-68	173.3	0	0	0	113.8	P423 G425 N426	P423-L428 HydrophobicContact CB-CD2 4Å; P423-L428 HydrophobicContact CG-CD2 3.9Å; G425-L428 PolarHBondContact O-N 2.9Å; N426-L428 VanDerWaalsContact C-N 3.29Å; N426-L428 PolarHBondContact O-N 3.39Å
429	Q	76.7	Confident	80.6	Confident	128 Å²	128	67.8 Å²	67.8	60%	0.598	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-103.3	-9.1	-177.6	-56.6	-175.2	13.2	0	0	113	N426 M427	N426-Q429 PolarHBondContact O-N 3.04Å; M427-Q429 PolarHBondContact O-N 3.26Å; M427-Q429 VanDerWaalsContact O-N 3.16Å
430	C	82.8	Confident	80.2	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.034	40%	0.398	C	S	.	.			trans	-89	116.2	177.9	-172.6	0	0	0	0	110.1	M427 Y432 F433 A477 F480	M427-C430 PolarHBondContact O-N 2.83Å; C430-Y432 PolarHBondContact O-N 3.08Å; C430-F433 HydrophobicContact CB-CD2 3.63Å; C430-F433 HydrophobicContact CB-CE2 3.93Å; C430-F433 HydrophobicContact CB-CG 4.45Å; C430-F433 PolarHBondContact O-N 2.8Å; C430-F433 VanDerWaalsContact O-N 3.13Å; C430-A477 HydrophobicContact CB-CB 4.45Å; C430-F480 HydrophobicContact CB-CD1 4.39Å
431	P	82.1	Confident	80	Confident	75 Å²	75	61.2 Å²	61.2	49%	0.487	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-65.8	-25.9	-174.1	27.3	-34.4	0	0	0	112.9	F433 G434 F480	P431-F433 PolarHBondContact O-N 3.39Å; P431-G434 WeakPolarHBondContact O-CA 3.43Å; P431-G434 PolarHBondContact O-N 3.09Å; P431-F480 HydrophobicContact CG-CE1 4.03Å; P431-F480 HydrophobicContact CG-CZ 3.88Å
432	Y	82	Confident	79.8	Confident	31 Å²	31	60.4 Å²	60.4	12%	0.122	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-68.2	-15.6	177	-68.3	-83.4	0	0	0	114.2	P409 C430 E437 F480 L491	P409-Y432 HydrophobicContact CG-CD1 4.15Å; P409-Y432 HydrophobicContact CG-CG 4.41Å; C430-Y432 PolarHBondContact O-N 3.08Å; Y432-E437 HydrophobicContact CD1-CG 3.96Å; Y432-F480 HydrophobicContact CD2-CD2 4.43Å; Y432-F480 AromaticContact CD2-CE2 3.89Å; Y432-F480 HydrophobicContact CD2-CE2 3.89Å; Y432-F480 HydrophobicContact CD2-CZ 4.22Å; Y432-F480 HydrophobicContact CE2-CD2 4.43Å; Y432-F480 AromaticContact CE2-CE2 3.6Å; Y432-F480 HydrophobicContact CE2-CE2 3.6Å; Y432-F480 HydrophobicContact CE2-CZ 4.03Å; Y432-L491 HydrophobicContact CD2-CD1 4.2Å; Y432-L491 HydrophobicContact CE1-CB 4.19Å; Y432-L491 HydrophobicContact CE1-CD2 4.48Å; Y432-L491 HydrophobicContact CE2-CB 4.42Å; Y432-L491 HydrophobicContact CE2-CD1 3.81Å
433	F	83	Confident	79.9	Confident	19 Å²	19	61.7 Å²	61.7	8%	0.083	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-97.5	1.7	168.8	-53.7	-40.6	0	0	0	112.5	L405 P409 V412 P413 M427 C430 P431 I473 F476	L405-F433 HydrophobicContact CD2-CE1 4.38Å; L405-F433 HydrophobicContact CD2-CZ 4.43Å; P409-F433 HydrophobicContact CB-CD1 4.08Å; P409-F433 HydrophobicContact CB-CE1 3.79Å; P409-F433 WeakPolarHBondContact O-CD1 3.47Å; V412-F433 HydrophobicContact CB-CD1 3.97Å; V412-F433 HydrophobicContact CB-CE1 4.02Å; V412-F433 HydrophobicContact CG1-CD1 4.23Å; V412-F433 HydrophobicContact CG1-CE1 4.36Å; V412-F433 HydrophobicContact CG2-CD1 4.45Å; V412-F433 HydrophobicContact CG2-CE1 3.99Å; P413-F433 HydrophobicContact CG-CB 4.14Å; P413-F433 WeakPolarHBondContact CG-O 3.45Å; M427-F433 HydrophobicContact CG-CD2 3.78Å; M427-F433 HydrophobicContact CG-CE2 4.38Å; M427-F433 HydrophobicContact CG-CG 4.46Å; C430-F433 HydrophobicContact CB-CD2 3.63Å; C430-F433 HydrophobicContact CB-CE2 3.93Å; C430-F433 HydrophobicContact CB-CG 4.45Å; C430-F433 PolarHBondContact O-N 2.8Å; C430-F433 VanDerWaalsContact O-N 3.13Å; P431-F433 PolarHBondContact O-N 3.39Å; F433-I473 HydrophobicContact CD2-CG2 4.28Å; F433-I473 HydrophobicContact CE2-CG2 3.58Å; F433-I473 HydrophobicContact CZ-CG2 3.89Å; F433-F476 HydrophobicContact CE1-CE1 4.37Å; F433-F476 HydrophobicContact CE2-CD1 4.03Å; F433-F476 HydrophobicContact CE2-CE1 4.33Å; F433-F476 AromaticContact CZ-CD1 3.57Å; F433-F476 HydrophobicContact CZ-CD1 3.57Å; F433-F476 AromaticContact CZ-CE1 3.72Å; F433-F476 HydrophobicContact CZ-CE1 3.72Å; F433-F476 HydrophobicContact CZ-CG 4.47Å
434	G	81.3	Confident	80.4	Confident	27 Å²	27	59 Å²	59	28%	0.278	34%	0.34	S	S	.	.	S	Bend	trans	-86.4	157.7	177.7	0	0	0	0	0	113.1	P431 A436 E437 Q438	P431-G434 WeakPolarHBondContact O-CA 3.43Å; P431-G434 PolarHBondContact O-N 3.09Å; G434-A436 PolarHBondContact O-N 3.31Å; G434-A436 VanDerWaalsContact O-N 3.08Å; G434-E437 PolarHBondContact O-N 3.07Å; G434-E437 VanDerWaalsContact O-N 3.16Å; G434-Q438 PolarHBondContact O-N 3.33Å
435	A	79.6	Confident	80.9	Confident	62 Å²	62	52.5 Å²	52.5	51%	0.512	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-22.7	178.6	0	0	0	0	0	113.8	Q438 L439	A435-Q438 PolarHBondContact O-N 2.89Å; A435-L439 WeakPolarHBondContact O-CB 3.27Å; A435-L439 WeakPolarHBondContact O-CD1 3.12Å; A435-L439 WeakPolarHBondContact O-CG 3.37Å; A435-L439 PolarHBondContact O-N 3.16Å
436	A	79.9	Confident	81.7	Confident	79 Å²	79	53.3 Å²	53.3	65%	0.653	30%	0.3	S	S	*	.	H	α-helix	trans	-64.3	-41.5	176.8	0	0	0	0	0	112.7	G434 L439 S440	G434-A436 PolarHBondContact O-N 3.31Å; G434-A436 VanDerWaalsContact O-N 3.08Å; A436-L439 PolarHBondContact O-N 2.94Å; A436-S440 PolarHBondContact O-N 2.77Å; A436-S440 VanDerWaalsContact O-N 3.09Å
437	E	82.3	Confident	82.3	Confident	25 Å²	25	52.7 Å²	52.7	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-72.5	-40.5	176.6	-171	66.2	-178.7	0	0	110.6	T410 Y432 G434 L439 S440 D441 R498	T410-E437 HydrophobicContact CG2-CB 4.07Å; T410-E437 HydrophobicContact CG2-CG 3.71Å; Y432-E437 HydrophobicContact CD1-CG 3.96Å; G434-E437 PolarHBondContact O-N 3.07Å; G434-E437 VanDerWaalsContact O-N 3.16Å; E437-L439 VanDerWaalsContact C-N 3.27Å; E437-L439 PolarHBondContact O-N 3.38Å; E437-S440 CarbonylContact O-C 3.52Å; E437-S440 WeakPolarHBondContact O-CA 3.5Å; E437-S440 PolarHBondContact O-N 3.18Å; E437-D441 PolarHBondContact O-N 3.04Å; E437-R498 IonicContact OE1-CZ 3.4Å; E437-R498 IonicContact OE1-NE 3.58Å; E437-R498 IonicContact OE1-NH2 3.47Å; E437-R498 PolarHBondContact OE1-NH2 2.63Å
438	Q	79.8	Confident	83.1	Confident	60 Å²	60	51.9 Å²	51.9	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-58.2	-38.6	173.9	-61.6	-172.1	-58.2	0	0	112.6	T410 G434 A435 S440 Q446	T410-Q438 HydrophobicContact CG2-CB 4.43Å; T410-Q438 HydrophobicContact CG2-CG 3.81Å; G434-Q438 PolarHBondContact O-N 3.33Å; A435-Q438 PolarHBondContact O-N 2.89Å; Q438-S440 VanDerWaalsContact C-N 3.33Å; Q438-Q446 PolarHBondContact O-NE2 2.65Å
439	L	79.1	Confident	84	Confident	143 Å²	143	46.4 Å²	46.4	75%	0.749	26%	0.264	S	S	*	.	H	α-helix	trans	-74.2	-20.7	174.6	-74.1	167.8	0	0	0	113.4	A435 A436 E437	A435-L439 WeakPolarHBondContact O-CB 3.27Å; A435-L439 WeakPolarHBondContact O-CD1 3.12Å; A435-L439 WeakPolarHBondContact O-CG 3.37Å; A435-L439 PolarHBondContact O-N 3.16Å; A436-L439 PolarHBondContact O-N 2.94Å; E437-L439 VanDerWaalsContact C-N 3.27Å; E437-L439 PolarHBondContact O-N 3.38Å
440	S	82	Confident	84.6	Confident	47 Å²	47	43.2 Å²	43.2	33%	0.329	25%	0.251	S	S	.	.	H	α-helix	trans	-89.1	-18.1	175.7	-170.5	0	0	0	0	113.6	A436 E437 Q438 K499	A436-S440 PolarHBondContact O-N 2.77Å; A436-S440 VanDerWaalsContact O-N 3.09Å; E437-S440 CarbonylContact O-C 3.52Å; E437-S440 WeakPolarHBondContact O-CA 3.5Å; E437-S440 PolarHBondContact O-N 3.18Å; Q438-S440 VanDerWaalsContact C-N 3.33Å; S440-K499 WeakPolarHBondContact O-CG 3.25Å; S440-K499 WeakPolarHBondContact OG-CE 3.25Å; S440-K499 PolarHBondContact OG-NZ 3.05Å
441	D	82.8	Confident	85	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.043	25%	0.25	C	C	.	.	S	Bend	trans	-71.2	147.2	171.8	-84	-13.8	0	0	0	111.3	T410 E437 L445 R498	T410-D441 VanDerWaalsContact CB-OD2 3.31Å; T410-D441 WeakPolarHBondContact CB-OD2 3.1Å; T410-D441 WeakPolarHBondContact CG2-OD2 3.14Å; T410-D441 PolarHBondContact OG1-OD2 3.26Å; E437-D441 PolarHBondContact O-N 3.04Å; D441-L445 HydrophobicContact CB-CD2 4.2Å; D441-R498 WeakPolarHBondContact OD1-CB 3.47Å; D441-R498 WeakPolarHBondContact OD1-CD 3.43Å; D441-R498 IonicContact OD1-NE 2.75Å; D441-R498 PolarHBondContact OD1-NE 3.35Å; D441-R498 IonicContact OD2-NE 3.11Å
442	G	83.4	Confident	85.5	Confident	9 Å²	9	39.8 Å²	39.8	9%	0.093	23%	0.228	C	C	.	.			trans	-64.1	146.4	177.7	0	0	0	0	0	112.8	G444 L445 Q446 Y502	G442-G444 PolarHBondContact O-N 2.76Å; G442-G444 VanDerWaalsContact O-N 3.12Å; G442-L445 WeakPolarHBondContact O-CB 3.19Å; G442-L445 PolarHBondContact O-N 2.7Å; G442-Q446 PolarHBondContact O-N 3.27Å; G442-Y502 CarbonylContact C-O 3.6Å; G442-Y502 VanDerWaalsContact C-O 3.28Å; G442-Y502 WeakPolarHBondContact CA-O 3.12Å
443	K	85.1	Confident	86	Confident	154 Å²	154	38.3 Å²	38.3	67%	0.67	22%	0.222	S	C	*	.	H	α-helix	trans	-56.2	-31.2	-179.3	-69	-176.5	179.1	179.6	0	113.2	L445 I447	K443-L445 VanDerWaalsContact C-N 3.33Å; K443-I447 WeakPolarHBondContact O-CD1 2.98Å; K443-I447 WeakPolarHBondContact O-CG1 3.34Å; K443-I447 PolarHBondContact O-N 3.29Å; K443-I447 VanDerWaalsContact O-N 3.15Å
444	G	87	Confident	86.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-40.5	174	0	0	0	0	0	112.4	G442 I447 L448 Y502	G442-G444 PolarHBondContact O-N 2.76Å; G442-G444 VanDerWaalsContact O-N 3.12Å; G444-I447 PolarHBondContact O-N 2.94Å; G444-L448 WeakPolarHBondContact O-CG 3.19Å; G444-L448 PolarHBondContact O-N 2.8Å; G444-Y502 VanDerWaalsContact CA-O 3.31Å; G444-Y502 WeakPolarHBondContact CA-O 3.35Å; G444-Y502 PolarHBondContact N-O 3.13Å
445	L	90.4	Very high	86.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-73.2	-40.4	179.8	179.8	57.5	0	0	0	112.1	P371 F408 D441 G442 K443 I447 L448 I449 R498 Y502	P371-L445 HydrophobicContact CB-CD1 4.3Å; P371-L445 HydrophobicContact CG-CD1 3.85Å; F408-L445 HydrophobicContact CD1-CD1 3.79Å; F408-L445 HydrophobicContact CD1-CD2 3.99Å; F408-L445 HydrophobicContact CE1-CD1 3.91Å; F408-L445 HydrophobicContact CE1-CD2 4.33Å; D441-L445 HydrophobicContact CB-CD2 4.2Å; G442-L445 WeakPolarHBondContact O-CB 3.19Å; G442-L445 PolarHBondContact O-N 2.7Å; K443-L445 VanDerWaalsContact C-N 3.33Å; L445-I447 VanDerWaalsContact C-N 3.25Å; L445-I447 PolarHBondContact O-N 3.26Å; L445-L448 HydrophobicContact CD1-CD1 4.46Å; L445-L448 PolarHBondContact O-N 2.8Å; L445-L448 VanDerWaalsContact O-N 3.14Å; L445-I449 HydrophobicContact CD1-CD1 3.96Å; L445-I449 HydrophobicContact CD1-CG1 4.1Å; L445-I449 HydrophobicContact CD2-CD1 4.5Å; L445-I449 HydrophobicContact CG-CD1 3.81Å; L445-I449 HydrophobicContact CG-CG1 4.4Å; L445-I449 WeakPolarHBondContact O-CB 3.33Å; L445-I449 WeakPolarHBondContact O-CG1 3.05Å; L445-I449 PolarHBondContact O-N 2.94Å; L445-R498 HydrophobicContact CD2-CB 4.1Å; L445-R498 VanDerWaalsContact CD2-CD 3.47Å; L445-R498 HydrophobicContact CD2-CG 3.67Å; L445-Y502 HydrophobicContact CB-CD1 4.37Å; L445-Y502 HydrophobicContact CB-CD2 4.24Å; L445-Y502 HydrophobicContact CB-CG 3.81Å; L445-Y502 HydrophobicContact CD2-CD2 4.27Å
446	Q	89.6	Confident	87	Confident	67 Å²	67	35.3 Å²	35.3	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-52.9	-47.4	171.9	-65.4	172.6	-9.8	0	0	110.5	Q438 G442 I449 D450	Q438-Q446 PolarHBondContact O-NE2 2.65Å; G442-Q446 PolarHBondContact O-N 3.27Å; Q446-I449 PolarHBondContact O-N 3.37Å; Q446-D450 PolarHBondContact O-N 3.16Å
447	I	90.2	Very high	87.5	Confident	24 Å²	24	35.6 Å²	35.6	12%	0.123	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-45.3	176.1	-72.2	166.8	0	0	0	112.1	K443 G444 L445 I449 D450 I451 C505 V509 Y510 I513 I521	K443-I447 WeakPolarHBondContact O-CD1 2.98Å; K443-I447 WeakPolarHBondContact O-CG1 3.34Å; K443-I447 PolarHBondContact O-N 3.29Å; K443-I447 VanDerWaalsContact O-N 3.15Å; G444-I447 PolarHBondContact O-N 2.94Å; L445-I447 VanDerWaalsContact C-N 3.25Å; L445-I447 PolarHBondContact O-N 3.26Å; I447-I449 VanDerWaalsContact C-N 3.35Å; I447-I449 PolarHBondContact O-N 2.99Å; I447-D450 PolarHBondContact O-N 2.95Å; I447-I451 HydrophobicContact CG2-CD1 3.78Å; I447-I451 HydrophobicContact CG2-CG1 4.36Å; I447-I451 WeakPolarHBondContact O-CB 3.39Å; I447-I451 WeakPolarHBondContact O-CG1 3.36Å; I447-I451 PolarHBondContact O-N 3.48Å; I447-C505 HydrophobicContact CD1-CB 4.05Å; I447-V509 HydrophobicContact CG2-CG1 4.04Å; I447-Y510 HydrophobicContact CD1-CE1 4.18Å; I447-I513 HydrophobicContact CG2-CD1 3.69Å; I447-I521 HydrophobicContact CG1-CG2 4.23Å; I447-I521 HydrophobicContact CG2-CG2 4.34Å
448	L	91.7	Very high	87.9	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-41.4	177	-67.5	179.1	0	0	0	112.7	F52 L339 L370 P371 G444 L445 I451 Y452 Y502 V509	F52-L448 HydrophobicContact CE2-CD1 3.66Å; F52-L448 HydrophobicContact CE2-CD2 4.46Å; F52-L448 HydrophobicContact CE2-CG 4.42Å; F52-L448 HydrophobicContact CZ-CD1 3.66Å; F52-L448 HydrophobicContact CZ-CD2 4.13Å; F52-L448 HydrophobicContact CZ-CG 4.01Å; L339-L448 HydrophobicContact CD1-CD2 3.7Å; L339-L448 HydrophobicContact CD2-CD2 3.75Å; L339-L448 HydrophobicContact CG-CD2 4.41Å; L370-L448 HydrophobicContact CD2-CD1 4.23Å; P371-L448 HydrophobicContact CG-CB 3.69Å; P371-L448 HydrophobicContact CG-CD1 4.03Å; G444-L448 WeakPolarHBondContact O-CG 3.19Å; G444-L448 PolarHBondContact O-N 2.8Å; L445-L448 HydrophobicContact CD1-CD1 4.46Å; L445-L448 PolarHBondContact O-N 2.8Å; L445-L448 VanDerWaalsContact O-N 3.14Å; L448-I451 PolarHBondContact O-N 2.83Å; L448-Y452 PolarHBondContact O-N 2.96Å; L448-Y502 HydrophobicContact CD1-CD1 4.04Å; L448-Y502 HydrophobicContact CD1-CE1 4.34Å; L448-V509 HydrophobicContact CD2-CG1 4.33Å
449	I	92.3	Very high	88.4	Confident	8 Å²	8	38.5 Å²	38.5	4%	0.041	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-45.7	178	-75.1	169	0	0	0	110.3	P371 T410 M411 A414 L445 Q446 I447 Y452 A453	P371-I449 HydrophobicContact CB-CG1 4.5Å; T410-I449 WeakPolarHBondContact OG1-CD1 3.33Å; M411-I449 HydrophobicContact CB-CG1 4.46Å; M411-I449 HydrophobicContact SD-CB 4.24Å; M411-I449 HydrophobicContact SD-CG1 4.07Å; M411-I449 HydrophobicContact SD-CG2 3.92Å; A414-I449 HydrophobicContact CB-CG2 3.36Å; L445-I449 HydrophobicContact CD1-CD1 3.96Å; L445-I449 HydrophobicContact CD1-CG1 4.1Å; L445-I449 HydrophobicContact CD2-CD1 4.5Å; L445-I449 HydrophobicContact CG-CD1 3.81Å; L445-I449 HydrophobicContact CG-CG1 4.4Å; L445-I449 WeakPolarHBondContact O-CB 3.33Å; L445-I449 WeakPolarHBondContact O-CG1 3.05Å; L445-I449 PolarHBondContact O-N 2.94Å; Q446-I449 PolarHBondContact O-N 3.37Å; I447-I449 VanDerWaalsContact C-N 3.35Å; I447-I449 PolarHBondContact O-N 2.99Å; I449-Y452 PolarHBondContact O-N 2.83Å; I449-A453 WeakPolarHBondContact O-CB 3.19Å; I449-A453 PolarHBondContact O-N 3.19Å
450	D	90.8	Very high	89.1	Confident	60 Å²	60	31.7 Å²	31.7	32%	0.321	15%	0.15	S	C	.	.	H	α-helix	trans	-63.9	-42.8	175.3	-86	-33.9	0	0	0	112.3	Q446 I447 Y452 A453 Q454 I521	Q446-D450 PolarHBondContact O-N 3.16Å; I447-D450 PolarHBondContact O-N 2.95Å; D450-Y452 VanDerWaalsContact C-N 3.28Å; D450-Y452 PolarHBondContact O-N 3.36Å; D450-A453 PolarHBondContact O-N 2.96Å; D450-Q454 VanDerWaalsContact O-CB 3.25Å; D450-Q454 WeakPolarHBondContact O-CB 3.36Å; D450-Q454 WeakPolarHBondContact O-CG 3.16Å; D450-Q454 PolarHBondContact O-N 2.7Å; D450-I521 HydrophobicContact CB-CD1 3.88Å; D450-I521 HydrophobicContact CB-CG1 4.17Å
451	I	90.8	Very high	89.6	Confident	3 Å²	3	33 Å²	33	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-54.7	-46.9	174.2	-74.8	168.4	0	0	0	110.5	L339 I447 L448 R455 V509 I513 I521	L339-I451 HydrophobicContact CD1-CD1 4.44Å; I447-I451 HydrophobicContact CG2-CD1 3.78Å; I447-I451 HydrophobicContact CG2-CG1 4.36Å; I447-I451 WeakPolarHBondContact O-CB 3.39Å; I447-I451 WeakPolarHBondContact O-CG1 3.36Å; I447-I451 PolarHBondContact O-N 3.48Å; L448-I451 PolarHBondContact O-N 2.83Å; I451-R455 WeakPolarHBondContact O-CG 3.06Å; I451-V509 HydrophobicContact CD1-CG1 3.51Å; I451-I513 HydrophobicContact CD1-CD1 4.05Å; I451-I513 HydrophobicContact CD1-CG1 3.65Å; I451-I513 HydrophobicContact CG1-CD1 4.48Å; I451-I513 HydrophobicContact CG1-CG1 3.89Å; I451-I521 HydrophobicContact CB-CD1 4.27Å; I451-I521 HydrophobicContact CG1-CD1 3.47Å; I451-I521 VanDerWaalsContact CG1-CD1 3.47Å
452	Y	93.1	Very high	90	Very high	6 Å²	6	36.6 Å²	36.6	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-55.6	-179.5	-176.3	-106.3	0	0	0	111.7	N372 Y375 S376 M411 L415 L448 I449 D450 Q454 R455 T456 W460	N372-Y452 VanDerWaalsContact CA-CD2 3.45Å; N372-Y452 HydrophobicContact CB-CD2 3.28Å; N372-Y452 HydrophobicContact CB-CE2 3.79Å; N372-Y452 HydrophobicContact CB-CG 4.07Å; Y375-Y452 WeakPolarHBondContact CB-OH 3.42Å; Y375-Y452 HydrophobicContact CG-CE1 4.41Å; S376-Y452 PolarHBondContact N-OH 3.49Å; S376-Y452 WeakPolarHBondContact OG-CE2 3.45Å; S376-Y452 PolarHBondContact OG-OH 2.97Å; M411-Y452 HydrophobicContact CE-CD1 3.25Å; M411-Y452 HydrophobicContact CE-CE1 3.79Å; M411-Y452 HydrophobicContact CE-CG 3.77Å; M411-Y452 HydrophobicContact SD-CD1 3.52Å; M411-Y452 VanDerWaalsContact SD-CD1 3.52Å; M411-Y452 HydrophobicContact SD-CE1 4.27Å; M411-Y452 HydrophobicContact SD-CG 4.29Å; L415-Y452 HydrophobicContact CD2-CD1 4.37Å; L415-Y452 HydrophobicContact CD2-CE1 4.39Å; L448-Y452 PolarHBondContact O-N 2.96Å; I449-Y452 PolarHBondContact O-N 2.83Å; D450-Y452 VanDerWaalsContact C-N 3.28Å; D450-Y452 PolarHBondContact O-N 3.36Å; Y452-Q454 VanDerWaalsContact C-N 3.29Å; Y452-Q454 PolarHBondContact O-N 2.67Å; Y452-R455 PolarHBondContact O-N 2.82Å; Y452-T456 WeakPolarHBondContact CD1-OG1 3.36Å; Y452-T456 HydrophobicContact CD2-CG2 3.58Å; Y452-T456 HydrophobicContact CE1-CG2 4.26Å; Y452-T456 WeakPolarHBondContact CE1-OG1 3.48Å; Y452-T456 HydrophobicContact CE2-CG2 3.27Å; Y452-T456 HydrophobicContact CG-CG2 4.24Å; Y452-T456 PolarHBondContact O-N 2.97Å; Y452-T456 PolarHBondContact O-OG1 3.17Å; Y452-T456 VanDerWaalsContact O-OG1 3.11Å; Y452-W460 AromaticContact CE1-NE1 3.68Å; Y452-W460 AromaticContact CZ-NE1 3.91Å; Y452-W460 PolarHBondContact OH-NE1 3.31Å
453	A	92.5	Very high	90.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-38.2	-175.4	0	0	0	0	0	112.1	A414 L415 K418 I449 D450 R455 W457	A414-A453 HydrophobicContact CB-CB 4.45Å; L415-A453 HydrophobicContact CD2-CB 3.93Å; L415-A453 HydrophobicContact CG-CB 4.41Å; K418-A453 HydrophobicContact CG-CB 4.24Å; I449-A453 WeakPolarHBondContact O-CB 3.19Å; I449-A453 PolarHBondContact O-N 3.19Å; D450-A453 PolarHBondContact O-N 2.96Å; A453-R455 VanDerWaalsContact C-N 3.26Å; A453-R455 PolarHBondContact O-N 2.95Å; A453-W457 WeakPolarHBondContact O-CB 3.23Å; A453-W457 PolarHBondContact O-N 2.98Å
454	Q	88.1	Confident	90.8	Very high	29 Å²	29	41.1 Å²	41.1	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-29.6	176.3	-74.5	173	25	0	0	113.9	K418 D450 Y452 W457 N518	K418-Q454 HydrophobicContact CD-CG 4.46Å; D450-Q454 VanDerWaalsContact O-CB 3.25Å; D450-Q454 WeakPolarHBondContact O-CB 3.36Å; D450-Q454 WeakPolarHBondContact O-CG 3.16Å; D450-Q454 PolarHBondContact O-N 2.7Å; Y452-Q454 VanDerWaalsContact C-N 3.29Å; Y452-Q454 PolarHBondContact O-N 2.67Å; Q454-W457 VanDerWaalsContact O-CD1 3.3Å; Q454-N518 PolarHBondContact OE1-ND2 2.77Å
455	R	86.3	Confident	91.1	Very high	16 Å²	16	41.3 Å²	41.3	6%	0.06	20%	0.199	C	C	.	.	H	α-helix	trans	-91.8	-50.6	-179.6	-65.8	174	-175.2	157.9	1.6	111.8	L339 Y343 I451 Y452 A453 H512 S516 N518	L339-R455 PolarHBondContact O-NH1 2.88Å; Y343-R455 HydrophobicContact CD1-CB 4.14Å; Y343-R455 HydrophobicContact CE1-CB 4.14Å; Y343-R455 WeakPolarHBondContact CE2-O 3.13Å; Y343-R455 HydrophobicContact CG-CB 4.37Å; Y343-R455 PolarHBondContact OH-O 3.36Å; I451-R455 WeakPolarHBondContact O-CG 3.06Å; Y452-R455 PolarHBondContact O-N 2.82Å; A453-R455 VanDerWaalsContact C-N 3.26Å; A453-R455 PolarHBondContact O-N 2.95Å; R455-H512 PolarHBondContact NH1-NE2 3.12Å; R455-H512 PolarHBondContact NH2-CD2 3Å; R455-H512 VanDerWaalsContact NH2-CD2 3.34Å; R455-H512 PolarHBondContact NH2-NE2 3.15Å; R455-S516 PolarHBondContact NH2-OG 2.97Å; R455-N518 PolarHBondContact NE-ND2 3.25Å
456	T	90.1	Very high	91.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-87.8	-11.6	-166.1	65.8	0	0	0	0	114.8	Y343 Y452 K458 L459 W460	Y343-T456 HydrophobicContact CD2-CG2 3.75Å; Y343-T456 HydrophobicContact CE2-CG2 4.46Å; Y343-T456 HydrophobicContact CG-CG2 4.24Å; Y452-T456 WeakPolarHBondContact CD1-OG1 3.36Å; Y452-T456 HydrophobicContact CD2-CG2 3.58Å; Y452-T456 HydrophobicContact CE1-CG2 4.26Å; Y452-T456 WeakPolarHBondContact CE1-OG1 3.48Å; Y452-T456 HydrophobicContact CE2-CG2 3.27Å; Y452-T456 HydrophobicContact CG-CG2 4.24Å; Y452-T456 PolarHBondContact O-N 2.97Å; Y452-T456 PolarHBondContact O-OG1 3.17Å; Y452-T456 VanDerWaalsContact O-OG1 3.11Å; T456-K458 PolarHBondContact O-N 3.37Å; T456-L459 WeakPolarHBondContact O-CB 3.25Å; T456-L459 PolarHBondContact O-N 3.01Å; T456-W460 VanDerWaalsContact O-CD1 3.3Å; T456-W460 PolarHBondContact O-N 3.15Å; T456-W460 PolarHBondContact OG1-NE1 3.22Å
457	W	90.4	Very high	91.3	Very high	85 Å²	85	42.2 Å²	42.2	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-50.8	-34.7	-176.8	71.6	-90.4	0	0	0	113.7	K418 L419 A453 Q454 L459 W460 N461	K418-W457 HydrophobicContact CB-CB 4.21Å; L419-W457 HydrophobicContact CD2-CB 4.3Å; L419-W457 WeakPolarHBondContact CD2-O 3.32Å; A453-W457 WeakPolarHBondContact O-CB 3.23Å; A453-W457 PolarHBondContact O-N 2.98Å; Q454-W457 VanDerWaalsContact O-CD1 3.3Å; W457-L459 VanDerWaalsContact C-N 3.26Å; W457-L459 PolarHBondContact O-N 2.98Å; W457-W460 CarbonylContact O-C 3.49Å; W457-W460 PolarHBondContact O-N 2.94Å; W457-W460 VanDerWaalsContact O-N 3.15Å; W457-N461 HydrophobicContact CE3-CB 4.28Å; W457-N461 VanDerWaalsContact O-CB 3.29Å; W457-N461 WeakPolarHBondContact O-CB 3.04Å; W457-N461 PolarHBondContact O-N 3.35Å
458	K	89.7	Confident	91.6	Very high	129 Å²	129	41.8 Å²	41.8	56%	0.561	21%	0.211	S	C	*	.	H	α-helix	trans	-63.7	-27.2	177.5	-64.7	177.1	-175.9	164.4	0	114	T456	T456-K458 PolarHBondContact O-N 3.37Å
459	L	91.2	Very high	91.6	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-79.9	-38	174	-60.3	175.5	0	0	0	111	Y343 L346 L347 L379 T456 W457 N461	Y343-L459 HydrophobicContact CD2-CD1 3.81Å; Y343-L459 HydrophobicContact CE2-CD1 3.93Å; Y343-L459 HydrophobicContact CE2-CG 4.33Å; L346-L459 HydrophobicContact CB-CD1 3.89Å; L346-L459 HydrophobicContact CD1-CD1 4.05Å; L347-L459 HydrophobicContact CD2-CD2 4.09Å; L379-L459 HydrophobicContact CD2-CB 4.03Å; L379-L459 HydrophobicContact CD2-CD1 4.38Å; T456-L459 WeakPolarHBondContact O-CB 3.25Å; T456-L459 PolarHBondContact O-N 3.01Å; W457-L459 VanDerWaalsContact C-N 3.26Å; W457-L459 PolarHBondContact O-N 2.98Å; L459-N461 VanDerWaalsContact C-N 3.28Å; L459-N461 PolarHBondContact O-N 3.39Å
460	W	93.6	Very high	91.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-21	173.7	-65	103.3	0	0	0	113.4	Y375 L379 L415 L419 Y452 T456 W457 K462 V465 W468 L469	Y375-W460 HydrophobicContact CD1-CH2 4.23Å; Y375-W460 HydrophobicContact CD1-CZ2 4.07Å; L379-W460 HydrophobicContact CB-CH2 4.01Å; L379-W460 HydrophobicContact CB-CZ2 3.94Å; L379-W460 HydrophobicContact CD1-CD2 4.46Å; L379-W460 HydrophobicContact CD1-CE3 4.25Å; L379-W460 HydrophobicContact CD1-CH2 4.11Å; L379-W460 HydrophobicContact CD1-CZ2 4.31Å; L379-W460 HydrophobicContact CD1-CZ3 4.08Å; L379-W460 HydrophobicContact CD2-CD2 4.38Å; L379-W460 HydrophobicContact CD2-CZ2 3.94Å; L379-W460 HydrophobicContact CG-CH2 4.46Å; L379-W460 HydrophobicContact CG-CZ2 4.3Å; L415-W460 HydrophobicContact CD2-CG 4.35Å; L419-W460 HydrophobicContact CD1-CB 4.18Å; L419-W460 HydrophobicContact CD2-CB 4.24Å; Y452-W460 AromaticContact CE1-NE1 3.68Å; Y452-W460 AromaticContact CZ-NE1 3.91Å; Y452-W460 PolarHBondContact OH-NE1 3.31Å; T456-W460 VanDerWaalsContact O-CD1 3.3Å; T456-W460 PolarHBondContact O-N 3.15Å; T456-W460 PolarHBondContact OG1-NE1 3.22Å; W457-W460 CarbonylContact O-C 3.49Å; W457-W460 PolarHBondContact O-N 2.94Å; W457-W460 VanDerWaalsContact O-N 3.15Å; W460-K462 VanDerWaalsContact C-N 3.29Å; W460-K462 PolarHBondContact O-N 2.91Å; W460-V465 HydrophobicContact CD2-CG1 4.39Å; W460-V465 HydrophobicContact CE3-CG1 3.65Å; W460-V465 HydrophobicContact CZ3-CG1 4.15Å; W460-W468 HydrophobicContact CH2-CZ3 4.08Å; W460-W468 HydrophobicContact CZ3-CE3 4.28Å; W460-W468 AromaticContact CZ3-CZ3 3.75Å; W460-W468 HydrophobicContact CZ3-CZ3 3.75Å; W460-L469 HydrophobicContact CD2-CD2 4.46Å; W460-L469 HydrophobicContact CE3-CB 4.25Å; W460-L469 HydrophobicContact CE3-CD1 4.39Å; W460-L469 HydrophobicContact CE3-CD2 3.76Å; W460-L469 HydrophobicContact CE3-CG 4.35Å; W460-L469 HydrophobicContact CZ3-CB 4.24Å; W460-L469 HydrophobicContact CZ3-CD1 4Å; W460-L469 HydrophobicContact CZ3-CD2 4.21Å; W460-L469 HydrophobicContact CZ3-CG 4.36Å
461	N	92.8	Very high	91.7	Very high	75 Å²	75	44.8 Å²	44.8	40%	0.401	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	15.3	177.7	-155.6	93.4	0	0	0	113.8	L419 W457 L459	L419-N461 HydrophobicContact CD2-CB 3.59Å; L419-N461 WeakPolarHBondContact CD2-OD1 3.34Å; W457-N461 HydrophobicContact CE3-CB 4.28Å; W457-N461 VanDerWaalsContact O-CB 3.29Å; W457-N461 WeakPolarHBondContact O-CB 3.04Å; W457-N461 PolarHBondContact O-N 3.35Å; L459-N461 VanDerWaalsContact C-N 3.28Å; L459-N461 PolarHBondContact O-N 3.39Å
462	K	91.7	Very high	91.8	Very high	84 Å²	84	45 Å²	45	37%	0.365	23%	0.232	S	C	.	.	S	Bend	trans	-79.2	137.2	163.5	-61.7	-176.4	-171.7	179.1	0	108.1	M383 W460 D464 V465 L466	M383-K462 HydrophobicContact CE-CD 4.06Å; M383-K462 HydrophobicContact SD-CD 4.44Å; M383-K462 PolarHBondContact SD-NZ 3.48Å; M383-K462 VanDerWaalsContact SD-NZ 3.39Å; W460-K462 VanDerWaalsContact C-N 3.29Å; W460-K462 PolarHBondContact O-N 2.91Å; K462-D464 PolarHBondContact O-N 3.01Å; K462-V465 HydrophobicContact CB-CB 4.15Å; K462-V465 HydrophobicContact CB-CG2 3.8Å; K462-V465 HydrophobicContact CD-CG2 4.19Å; K462-V465 HydrophobicContact CG-CG2 4.46Å; K462-V465 PolarHBondContact O-N 3.34Å; K462-V465 VanDerWaalsContact O-N 3.08Å; K462-L466 PolarHBondContact O-N 3.13Å
463	D	91.1	Very high	91.7	Very high	136 Å²	136	44.7 Å²	44.7	73%	0.727	23%	0.231	S	C	*	.	H	α-helix	trans	-55.6	-46.3	-172	-62.2	-49.6	0	0	0	113.1	V465 L466 A467	D463-V465 VanDerWaalsContact C-N 3.35Å; D463-V465 PolarHBondContact O-N 3Å; D463-L466 PolarHBondContact O-N 3.06Å; D463-A467 WeakPolarHBondContact O-CB 3.36Å; D463-A467 PolarHBondContact O-N 3.4Å
464	D	92.8	Very high	91.6	Very high	122 Å²	122	47.9 Å²	47.9	65%	0.652	25%	0.248	S	C	*	.	H	α-helix	trans	-62.5	-40.5	178.8	-48.6	-55.7	0	0	0	112.4	K462 W468	K462-D464 PolarHBondContact O-N 3.01Å; D464-W468 WeakPolarHBondContact O-CB 3.33Å; D464-W468 PolarHBondContact O-N 2.96Å
465	V	94.2	Very high	91.7	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-69.8	-40.5	179.7	-178.8	0	0	0	0	110.5	L379 F382 M383 W460 K462 D463 W468 L469	L379-V465 HydrophobicContact CD1-CG1 3.51Å; L379-V465 HydrophobicContact CD1-CG2 4.43Å; F382-V465 HydrophobicContact CD1-CG2 4.06Å; F382-V465 HydrophobicContact CE1-CB 4.29Å; F382-V465 HydrophobicContact CE1-CG2 3.77Å; M383-V465 HydrophobicContact CE-CG2 3.56Å; M383-V465 HydrophobicContact SD-CG2 4.4Å; W460-V465 HydrophobicContact CD2-CG1 4.39Å; W460-V465 HydrophobicContact CE3-CG1 3.65Å; W460-V465 HydrophobicContact CZ3-CG1 4.15Å; K462-V465 HydrophobicContact CB-CB 4.15Å; K462-V465 HydrophobicContact CB-CG2 3.8Å; K462-V465 HydrophobicContact CD-CG2 4.19Å; K462-V465 HydrophobicContact CG-CG2 4.46Å; K462-V465 PolarHBondContact O-N 3.34Å; K462-V465 VanDerWaalsContact O-N 3.08Å; D463-V465 VanDerWaalsContact C-N 3.35Å; D463-V465 PolarHBondContact O-N 3Å; V465-W468 HydrophobicContact CG1-CE3 4.46Å; V465-W468 PolarHBondContact O-N 3.5Å; V465-L469 VanDerWaalsContact O-CB 3.3Å; V465-L469 WeakPolarHBondContact O-CB 3.46Å; V465-L469 PolarHBondContact O-N 3.4Å
466	L	92.8	Very high	91.9	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-69.3	-38.7	178.1	-175.9	56.4	0	0	0	111.5	L419 V421 K462 D463 K470	L419-L466 HydrophobicContact CD1-CD1 4.12Å; V421-L466 HydrophobicContact CG2-CD1 4.34Å; V421-L466 HydrophobicContact CG2-CD2 4.14Å; K462-L466 PolarHBondContact O-N 3.13Å; D463-L466 PolarHBondContact O-N 3.06Å; L466-K470 WeakPolarHBondContact O-CB 3.26Å; L466-K470 VanDerWaalsContact O-CG 3.3Å; L466-K470 WeakPolarHBondContact O-CG 3.15Å; L466-K470 PolarHBondContact O-N 3.49Å
467	A	92.4	Very high	91.9	Very high	60 Å²	60	51.1 Å²	51.1	50%	0.496	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-46.7	173	0	0	0	0	0	111.4	D463 K470 A471	D463-A467 WeakPolarHBondContact O-CB 3.36Å; D463-A467 PolarHBondContact O-N 3.4Å; A467-K470 PolarHBondContact O-N 2.82Å; A467-A471 WeakPolarHBondContact O-CB 3.46Å; A467-A471 PolarHBondContact O-N 3.28Å
468	W	94.7	Very high	91.8	Very high	16 Å²	16	48.9 Å²	48.9	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-47.3	175.1	171.2	66	0	0	0	112.6	A378 L379 F382 A397 D398 L401 W460 D464 V465 K470 A471 G472	A378-W468 HydrophobicContact CB-CH2 4.27Å; A378-W468 WeakPolarHBondContact O-CH2 3.38Å; L379-W468 HydrophobicContact CD1-CZ3 4.41Å; F382-W468 HydrophobicContact CB-CD2 4.11Å; F382-W468 HydrophobicContact CB-CE3 3.91Å; F382-W468 HydrophobicContact CB-CH2 3.65Å; F382-W468 HydrophobicContact CB-CZ2 3.86Å; F382-W468 HydrophobicContact CB-CZ3 3.67Å; F382-W468 HydrophobicContact CD1-CD2 4.16Å; F382-W468 AromaticContact CD1-CE3 3.83Å; F382-W468 HydrophobicContact CD1-CE3 3.83Å; F382-W468 HydrophobicContact CD1-CZ3 4.29Å; F382-W468 HydrophobicContact CD2-CB 4.12Å; F382-W468 AromaticContact CD2-CD1 3.68Å; F382-W468 AromaticContact CD2-CD2 3.35Å; F382-W468 HydrophobicContact CD2-CD2 3.35Å; F382-W468 AromaticContact CD2-CE2 3.55Å; F382-W468 AromaticContact CD2-CE3 3.86Å; F382-W468 HydrophobicContact CD2-CE3 3.86Å; F382-W468 AromaticContact CD2-CG 3.45Å; F382-W468 HydrophobicContact CD2-CG 3.45Å; F382-W468 VanDerWaalsContact CD2-CG 3.45Å; F382-W468 HydrophobicContact CD2-CZ2 4.2Å; F382-W468 HydrophobicContact CD2-CZ3 4.46Å; F382-W468 AromaticContact CD2-NE1 3.75Å; F382-W468 HydrophobicContact CE1-CB 4.22Å; F382-W468 HydrophobicContact CE1-CD2 4.48Å; F382-W468 HydrophobicContact CE1-CE3 4.34Å; F382-W468 HydrophobicContact CE1-CG 4.45Å; F382-W468 HydrophobicContact CE2-CB 3.51Å; F382-W468 AromaticContact CE2-CD1 3.62Å; F382-W468 AromaticContact CE2-CD2 3.74Å; F382-W468 HydrophobicContact CE2-CD2 3.74Å; F382-W468 HydrophobicContact CE2-CE3 4.37Å; F382-W468 AromaticContact CE2-CG 3.31Å; F382-W468 HydrophobicContact CE2-CG 3.31Å; F382-W468 AromaticContact CG-CD2 3.59Å; F382-W468 HydrophobicContact CG-CD2 3.59Å; F382-W468 AromaticContact CG-CE2 3.93Å; F382-W468 AromaticContact CG-CE3 3.56Å; F382-W468 HydrophobicContact CG-CE3 3.56Å; F382-W468 HydrophobicContact CG-CG 4.11Å; F382-W468 HydrophobicContact CG-CH2 4.21Å; F382-W468 HydrophobicContact CG-CZ2 4.24Å; F382-W468 AromaticContact CG-CZ3 3.88Å; F382-W468 HydrophobicContact CG-CZ3 3.88Å; F382-W468 HydrophobicContact CZ-CB 3.56Å; F382-W468 HydrophobicContact CZ-CD2 4.29Å; F382-W468 AromaticContact CZ-CG 3.85Å; F382-W468 HydrophobicContact CZ-CG 3.85Å; A397-W468 HydrophobicContact CB-CZ2 4.05Å; D398-W468 PolarHBondContact OD1-NE1 3.23Å; L401-W468 HydrophobicContact CB-CH2 3.94Å; L401-W468 HydrophobicContact CB-CZ2 3.67Å; L401-W468 HydrophobicContact CD1-CH2 4.35Å; L401-W468 HydrophobicContact CD2-CD2 4.22Å; L401-W468 HydrophobicContact CD2-CE3 4.45Å; L401-W468 HydrophobicContact CD2-CH2 3.87Å; L401-W468 HydrophobicContact CD2-CZ2 3.57Å; L401-W468 HydrophobicContact CD2-CZ3 4.3Å; L401-W468 HydrophobicContact CG-CH2 4.26Å; L401-W468 HydrophobicContact CG-CZ2 4.16Å; W460-W468 HydrophobicContact CH2-CZ3 4.08Å; W460-W468 HydrophobicContact CZ3-CE3 4.28Å; W460-W468 AromaticContact CZ3-CZ3 3.75Å; W460-W468 HydrophobicContact CZ3-CZ3 3.75Å; D464-W468 WeakPolarHBondContact O-CB 3.33Å; D464-W468 PolarHBondContact O-N 2.96Å; V465-W468 HydrophobicContact CG1-CE3 4.46Å; V465-W468 PolarHBondContact O-N 3.5Å; W468-K470 PolarHBondContact O-N 2.76Å; W468-A471 PolarHBondContact O-N 3.39Å; W468-G472 PolarHBondContact O-N 3.4Å
469	L	93.6	Very high	91.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-47.3	177	176.9	62.4	0	0	0	111.3	L401 W460 V465 A471 G472 I473	L401-L469 HydrophobicContact CD1-CD1 4.19Å; W460-L469 HydrophobicContact CD2-CD2 4.46Å; W460-L469 HydrophobicContact CE3-CB 4.25Å; W460-L469 HydrophobicContact CE3-CD1 4.39Å; W460-L469 HydrophobicContact CE3-CD2 3.76Å; W460-L469 HydrophobicContact CE3-CG 4.35Å; W460-L469 HydrophobicContact CZ3-CB 4.24Å; W460-L469 HydrophobicContact CZ3-CD1 4Å; W460-L469 HydrophobicContact CZ3-CD2 4.21Å; W460-L469 HydrophobicContact CZ3-CG 4.36Å; V465-L469 VanDerWaalsContact O-CB 3.3Å; V465-L469 WeakPolarHBondContact O-CB 3.46Å; V465-L469 PolarHBondContact O-N 3.4Å; L469-A471 PolarHBondContact O-N 3.04Å; L469-G472 PolarHBondContact O-N 2.93Å; L469-I473 HydrophobicContact CD1-CD1 3.82Å; L469-I473 HydrophobicContact CD1-CG1 4.17Å; L469-I473 HydrophobicContact CG-CD1 3.77Å; L469-I473 WeakPolarHBondContact O-CD1 3.46Å; L469-I473 VanDerWaalsContact O-CG1 3.29Å; L469-I473 WeakPolarHBondContact O-CG1 3.34Å; L469-I473 PolarHBondContact O-N 2.88Å
470	K	91.8	Very high	91.5	Very high	87 Å²	87	48.2 Å²	48.2	38%	0.378	25%	0.254	S	S	.	.	H	α-helix	trans	-58.3	-45.8	175.8	-76.8	179.1	176.2	-168.3	0	111.7	L466 A467 W468 G472 I473 D474	L466-K470 WeakPolarHBondContact O-CB 3.26Å; L466-K470 VanDerWaalsContact O-CG 3.3Å; L466-K470 WeakPolarHBondContact O-CG 3.15Å; L466-K470 PolarHBondContact O-N 3.49Å; A467-K470 PolarHBondContact O-N 2.82Å; W468-K470 PolarHBondContact O-N 2.76Å; K470-G472 PolarHBondContact O-N 3.22Å; K470-I473 PolarHBondContact O-N 3.23Å; K470-D474 WeakPolarHBondContact O-CB 3.3Å; K470-D474 PolarHBondContact O-N 3.36Å
471	A	92.2	Very high	91.1	Very high	45 Å²	45	54 Å²	54	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-36	177	0	0	0	0	0	112.6	A467 W468 L469 R475	A467-A471 WeakPolarHBondContact O-CB 3.46Å; A467-A471 PolarHBondContact O-N 3.28Å; W468-A471 PolarHBondContact O-N 3.39Å; L469-A471 PolarHBondContact O-N 3.04Å; A471-R475 WeakPolarHBondContact O-CB 3.47Å; A471-R475 WeakPolarHBondContact O-CG 3.48Å; A471-R475 PolarHBondContact O-N 3.2Å; A471-R475 VanDerWaalsContact O-N 3.09Å; A471-R475 PolarHBondContact O-NE 3.39Å
472	G	92.6	Very high	90.8	Very high	7 Å²	7	57.6 Å²	57.6	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-48.5	172.4	0	0	0	0	0	112.5	W468 L469 K470 R475 F476	W468-G472 PolarHBondContact O-N 3.4Å; L469-G472 PolarHBondContact O-N 2.93Å; K470-G472 PolarHBondContact O-N 3.22Å; G472-R475 PolarHBondContact O-N 3.09Å; G472-F476 WeakPolarHBondContact O-CB 3.31Å; G472-F476 PolarHBondContact O-N 3.44Å
473	I	91.7	Very high	90.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-40.6	178.9	-62.2	157.9	0	0	0	111.4	L405 V412 M427 F433 L469 K470 F476 A477	L405-I473 HydrophobicContact CD2-CG1 4.19Å; V412-I473 HydrophobicContact CB-CD1 4.48Å; V412-I473 HydrophobicContact CG1-CD1 3.54Å; V412-I473 HydrophobicContact CG1-CG1 4.12Å; V412-I473 HydrophobicContact CG1-CG2 4.42Å; V412-I473 HydrophobicContact CG2-CD1 4.08Å; V412-I473 HydrophobicContact CG2-CG1 4.09Å; M427-I473 HydrophobicContact CB-CG2 4.37Å; M427-I473 HydrophobicContact CE-CB 4.45Å; M427-I473 HydrophobicContact CE-CD1 4.24Å; M427-I473 HydrophobicContact CE-CG2 3.86Å; M427-I473 HydrophobicContact CG-CG2 3.87Å; M427-I473 HydrophobicContact SD-CG2 4.41Å; F433-I473 HydrophobicContact CD2-CG2 4.28Å; F433-I473 HydrophobicContact CE2-CG2 3.58Å; F433-I473 HydrophobicContact CZ-CG2 3.89Å; L469-I473 HydrophobicContact CD1-CD1 3.82Å; L469-I473 HydrophobicContact CD1-CG1 4.17Å; L469-I473 HydrophobicContact CG-CD1 3.77Å; L469-I473 WeakPolarHBondContact O-CD1 3.46Å; L469-I473 VanDerWaalsContact O-CG1 3.29Å; L469-I473 WeakPolarHBondContact O-CG1 3.34Å; L469-I473 PolarHBondContact O-N 2.88Å; K470-I473 PolarHBondContact O-N 3.23Å; I473-F476 PolarHBondContact O-N 2.87Å; I473-A477 WeakPolarHBondContact O-CB 3.33Å; I473-A477 PolarHBondContact O-N 3.36Å
474	D	90.6	Very high	90	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-68.5	-38.3	179.4	-168.1	55.9	0	0	0	112.6	N426 K470 A477 S478	N426-D474 WeakPolarHBondContact CB-OD1 3.46Å; N426-D474 PolarHBondContact ND2-OD1 3.36Å; K470-D474 WeakPolarHBondContact O-CB 3.3Å; K470-D474 PolarHBondContact O-N 3.36Å; D474-A477 PolarHBondContact O-N 3.1Å; D474-S478 VanDerWaalsContact O-CB 3.3Å; D474-S478 WeakPolarHBondContact O-CB 3.31Å; D474-S478 PolarHBondContact O-N 3.3Å; D474-S478 PolarHBondContact O-OG 2.89Å
475	R	90.4	Very high	89.7	Confident	108 Å²	108	51.6 Å²	51.6	41%	0.408	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-39.5	171.7	-72.8	175.4	-67	170.5	5.7	111.8	D398 A471 G472 K479	D398-R475 VanDerWaalsContact CG-NH1 3.34Å; D398-R475 VanDerWaalsContact CG-NH2 3.32Å; D398-R475 IonicContact OD1-CZ 2.7Å; D398-R475 IonicContact OD1-NH1 3.57Å; D398-R475 IonicContact OD1-NH2 2.65Å; D398-R475 PolarHBondContact OD1-NH2 3.43Å; D398-R475 IonicContact OD2-CZ 3.73Å; D398-R475 IonicContact OD2-NH1 2.68Å; D398-R475 PolarHBondContact OD2-NH1 3.42Å; D398-R475 IonicContact OD2-NH2 2.76Å; D398-R475 PolarHBondContact OD2-NH2 2.66Å; A471-R475 WeakPolarHBondContact O-CB 3.47Å; A471-R475 WeakPolarHBondContact O-CG 3.48Å; A471-R475 PolarHBondContact O-N 3.2Å; A471-R475 VanDerWaalsContact O-N 3.09Å; A471-R475 PolarHBondContact O-NE 3.39Å; G472-R475 PolarHBondContact O-N 3.09Å; R475-K479 PolarHBondContact O-N 2.85Å; R475-K479 VanDerWaalsContact O-N 3.1Å
476	F	90.5	Very high	89.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-48.6	173.6	179.5	-82.1	0	0	0	111.9	Y402 L405 M406 F433 G472 I473 S478 K479 F480 M487 L491	Y402-F476 AromaticContact CD2-CD2 3.92Å; Y402-F476 HydrophobicContact CD2-CD2 3.92Å; Y402-F476 AromaticContact CE2-CD2 3.74Å; Y402-F476 HydrophobicContact CE2-CD2 3.74Å; Y402-F476 HydrophobicContact CE2-CE2 4.47Å; L405-F476 HydrophobicContact CB-CD2 3.61Å; L405-F476 HydrophobicContact CB-CE2 3.69Å; L405-F476 HydrophobicContact CB-CG 4.27Å; L405-F476 HydrophobicContact CB-CZ 4.39Å; L405-F476 HydrophobicContact CD1-CB 4.03Å; L405-F476 HydrophobicContact CD1-CD2 4.19Å; L405-F476 HydrophobicContact CD1-CG 4.26Å; M406-F476 HydrophobicContact CG-CE2 3.96Å; M406-F476 HydrophobicContact SD-CE2 3.62Å; M406-F476 HydrophobicContact SD-CZ 4.24Å; F433-F476 HydrophobicContact CE1-CE1 4.37Å; F433-F476 HydrophobicContact CE2-CD1 4.03Å; F433-F476 HydrophobicContact CE2-CE1 4.33Å; F433-F476 AromaticContact CZ-CD1 3.57Å; F433-F476 HydrophobicContact CZ-CD1 3.57Å; F433-F476 AromaticContact CZ-CE1 3.72Å; F433-F476 HydrophobicContact CZ-CE1 3.72Å; F433-F476 HydrophobicContact CZ-CG 4.47Å; G472-F476 WeakPolarHBondContact O-CB 3.31Å; G472-F476 PolarHBondContact O-N 3.44Å; I473-F476 PolarHBondContact O-N 2.87Å; F476-S478 VanDerWaalsContact C-N 3.3Å; F476-S478 PolarHBondContact O-N 2.97Å; F476-K479 PolarHBondContact O-N 3.49Å; F476-F480 WeakPolarHBondContact O-CB 3.49Å; F476-F480 PolarHBondContact O-N 2.97Å; F476-M487 HydrophobicContact CD1-CE 4.25Å; F476-M487 HydrophobicContact CD2-CE 3.87Å; F476-M487 HydrophobicContact CE1-CE 4.02Å; F476-M487 HydrophobicContact CE2-CE 3.62Å; F476-M487 HydrophobicContact CG-CE 4.18Å; F476-M487 HydrophobicContact CZ-CE 3.7Å; F476-L491 HydrophobicContact CZ-CD2 4.22Å
477	A	89.1	Confident	89.1	Confident	5 Å²	5	58.3 Å²	58.3	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-32.5	179.3	0	0	0	0	0	112.6	N426 C430 I473 D474 F480 R481	N426-A477 HydrophobicContact CB-CB 3.79Å; C430-A477 HydrophobicContact CB-CB 4.45Å; I473-A477 WeakPolarHBondContact O-CB 3.33Å; I473-A477 PolarHBondContact O-N 3.36Å; D474-A477 PolarHBondContact O-N 3.1Å; A477-F480 PolarHBondContact O-N 3.27Å; A477-R481 PolarHBondContact O-N 3.09Å
478	S	88.4	Confident	88.9	Confident	37 Å²	37	58.1 Å²	58.1	26%	0.259	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-49.2	174.1	-61.5	0	0	0	0	111.9	D474 F476 F480 R481 E482	D474-S478 VanDerWaalsContact O-CB 3.3Å; D474-S478 WeakPolarHBondContact O-CB 3.31Å; D474-S478 PolarHBondContact O-N 3.3Å; D474-S478 PolarHBondContact O-OG 2.89Å; F476-S478 VanDerWaalsContact C-N 3.3Å; F476-S478 PolarHBondContact O-N 2.97Å; S478-F480 VanDerWaalsContact C-N 3.28Å; S478-F480 PolarHBondContact O-N 2.67Å; S478-R481 WeakPolarHBondContact O-CB 3.49Å; S478-R481 PolarHBondContact O-N 3.06Å; S478-R481 VanDerWaalsContact O-N 3.13Å; S478-E482 PolarHBondContact O-N 3.46Å
479	K	87.7	Confident	88.6	Confident	100 Å²	100	59.5 Å²	59.5	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-58.3	-39.4	171.6	-75.6	-178.1	173.8	-173.1	0	112.2	Y402 R475 F476 R481 E482 S483 P484 M487	Y402-K479 HydrophobicContact CE2-CD 3.77Å; R475-K479 PolarHBondContact O-N 2.85Å; R475-K479 VanDerWaalsContact O-N 3.1Å; F476-K479 PolarHBondContact O-N 3.49Å; K479-R481 VanDerWaalsContact C-N 3.34Å; K479-R481 PolarHBondContact O-N 2.64Å; K479-E482 WeakPolarHBondContact O-CB 3.36Å; K479-E482 PolarHBondContact O-N 2.84Å; K479-S483 PolarHBondContact O-N 2.81Å; K479-P484 WeakPolarHBondContact O-CD 3.29Å; K479-M487 HydrophobicContact CB-SD 4.14Å
480	F	85.9	Confident	88.4	Confident	31 Å²	31	62 Å²	62	14%	0.136	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-39.6	176.1	-178.5	-95.5	0	0	0	112.1	C430 P431 Y432 F476 A477 S478 E482 S483 M487 L488 L491	C430-F480 HydrophobicContact CB-CD1 4.39Å; P431-F480 HydrophobicContact CG-CE1 4.03Å; P431-F480 HydrophobicContact CG-CZ 3.88Å; Y432-F480 HydrophobicContact CD2-CD2 4.43Å; Y432-F480 AromaticContact CD2-CE2 3.89Å; Y432-F480 HydrophobicContact CD2-CE2 3.89Å; Y432-F480 HydrophobicContact CD2-CZ 4.22Å; Y432-F480 HydrophobicContact CE2-CD2 4.43Å; Y432-F480 AromaticContact CE2-CE2 3.6Å; Y432-F480 HydrophobicContact CE2-CE2 3.6Å; Y432-F480 HydrophobicContact CE2-CZ 4.03Å; F476-F480 WeakPolarHBondContact O-CB 3.49Å; F476-F480 PolarHBondContact O-N 2.97Å; A477-F480 PolarHBondContact O-N 3.27Å; S478-F480 VanDerWaalsContact C-N 3.28Å; S478-F480 PolarHBondContact O-N 2.67Å; F480-E482 VanDerWaalsContact C-N 3.29Å; F480-E482 PolarHBondContact O-N 2.61Å; F480-S483 WeakPolarHBondContact O-CA 3.17Å; F480-S483 PolarHBondContact O-N 3.01Å; F480-S483 PolarHBondContact O-OG 3.22Å; F480-M487 HydrophobicContact CB-CE 4.01Å; F480-M487 HydrophobicContact CB-SD 4.35Å; F480-M487 HydrophobicContact CD2-CE 4.46Å; F480-L488 HydrophobicContact CD2-CD2 4.33Å; F480-L488 HydrophobicContact CE2-CD2 3.67Å; F480-L488 HydrophobicContact CZ-CD2 4.43Å; F480-L491 HydrophobicContact CD2-CD1 4.01Å; F480-L491 HydrophobicContact CE2-CD1 4.15Å
481	R	85.1	Confident	88.2	Confident	123 Å²	123	57.9 Å²	57.9	46%	0.464	31%	0.309	S	S	.	.	H	α-helix	trans	-60.5	-38.1	174.5	-177.6	-174.2	-73.3	130.3	-3.1	112.1	N426 A477 S478 K479 S483	N426-R481 VanDerWaalsContact OD1-CZ 3.23Å; N426-R481 PolarHBondContact OD1-NH1 2.7Å; N426-R481 PolarHBondContact OD1-NH2 2.93Å; A477-R481 PolarHBondContact O-N 3.09Å; S478-R481 WeakPolarHBondContact O-CB 3.49Å; S478-R481 PolarHBondContact O-N 3.06Å; S478-R481 VanDerWaalsContact O-N 3.13Å; K479-R481 VanDerWaalsContact C-N 3.34Å; K479-R481 PolarHBondContact O-N 2.64Å; R481-S483 PolarHBondContact O-N 3.37Å; R481-S483 PolarHBondContact O-OG 2.79Å
482	E	86.6	Confident	87.9	Confident	150 Å²	150	62 Å²	62	70%	0.701	32%	0.32	S	S	*	.	H	α-helix	trans	-64.6	-15	174.9	-64.2	170.1	172.3	0	0	112.7	S478 K479 F480 P484	S478-E482 PolarHBondContact O-N 3.46Å; K479-E482 WeakPolarHBondContact O-CB 3.36Å; K479-E482 PolarHBondContact O-N 2.84Å; F480-E482 VanDerWaalsContact C-N 3.29Å; F480-E482 PolarHBondContact O-N 2.61Å; E482-P484 VanDerWaalsContact C-CD 3.4Å
483	S	80.9	Confident	87.7	Confident	65 Å²	65	66.5 Å²	66.5	46%	0.455	34%	0.342	S	S	.	.			trans	52.2	43.7	175.2	-56	0	0	0	0	115.4	K479 F480 R481	K479-S483 PolarHBondContact O-N 2.81Å; F480-S483 WeakPolarHBondContact O-CA 3.17Å; F480-S483 PolarHBondContact O-N 3.01Å; F480-S483 PolarHBondContact O-OG 3.22Å; R481-S483 PolarHBondContact O-N 3.37Å; R481-S483 PolarHBondContact O-OG 2.79Å
484	P	86.6	Confident	87.6	Confident	46 Å²	46	68.7 Å²	68.7	30%	0.299	35%	0.352	S	S	.	.			trans	-64.5	133.3	179.4	26.6	-31.9	0	0	0	110.6	K479 E482 E486 M487 L488	K479-P484 WeakPolarHBondContact O-CD 3.29Å; E482-P484 VanDerWaalsContact C-CD 3.4Å; P484-E486 VanDerWaalsContact C-N 3.29Å; P484-E486 PolarHBondContact O-N 3.07Å; P484-M487 HydrophobicContact CG-CB 3.82Å; P484-M487 HydrophobicContact CG-SD 4.33Å; P484-M487 WeakPolarHBondContact O-CB 3.43Å; P484-M487 PolarHBondContact O-N 2.79Å; P484-L488 PolarHBondContact O-N 3.35Å
485	P	85.1	Confident	87.4	Confident	104 Å²	104	66 Å²	66	68%	0.675	34%	0.339	S	S	*	.	H	α-helix	trans	-63.5	-33.2	-167.7	23.9	-34.3	0	0	0	113.2	M487 L488 A489	P485-M487 VanDerWaalsContact C-N 3.33Å; P485-M487 PolarHBondContact O-N 3.13Å; P485-L488 PolarHBondContact O-N 2.72Å; P485-A489 WeakPolarHBondContact O-CB 3.17Å; P485-A489 PolarHBondContact O-N 3.28Å
486	E	87.7	Confident	87.2	Confident	162 Å²	162	63.6 Å²	63.6	76%	0.757	34%	0.342	S	S	*	.	H	α-helix	trans	-61.2	-39.5	176	-62.1	174.7	178.4	0	0	112.5	P484 T490	P484-E486 VanDerWaalsContact C-N 3.29Å; P484-E486 PolarHBondContact O-N 3.07Å; E486-T490 VanDerWaalsContact O-CB 3.32Å; E486-T490 WeakPolarHBondContact O-CB 3.38Å; E486-T490 PolarHBondContact O-N 3.03Å; E486-T490 PolarHBondContact O-OG1 3.11Å
487	M	88.3	Confident	87	Confident	9 Å²	9	65.5 Å²	65.5	4%	0.044	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-43.8	177.7	-172.5	-177.2	-174.5	0	0	110.7	Y402 M406 F476 K479 F480 P484 P485 T490 L491	Y402-M487 HydrophobicContact CE2-CE 4.43Å; M406-M487 HydrophobicContact CE-CG 3.86Å; M406-M487 HydrophobicContact SD-CE 3.83Å; M406-M487 HydrophobicContact SD-CG 3.74Å; F476-M487 HydrophobicContact CD1-CE 4.25Å; F476-M487 HydrophobicContact CD2-CE 3.87Å; F476-M487 HydrophobicContact CE1-CE 4.02Å; F476-M487 HydrophobicContact CE2-CE 3.62Å; F476-M487 HydrophobicContact CG-CE 4.18Å; F476-M487 HydrophobicContact CZ-CE 3.7Å; K479-M487 HydrophobicContact CB-SD 4.14Å; F480-M487 HydrophobicContact CB-CE 4.01Å; F480-M487 HydrophobicContact CB-SD 4.35Å; F480-M487 HydrophobicContact CD2-CE 4.46Å; P484-M487 HydrophobicContact CG-CB 3.82Å; P484-M487 HydrophobicContact CG-SD 4.33Å; P484-M487 WeakPolarHBondContact O-CB 3.43Å; P484-M487 PolarHBondContact O-N 2.79Å; P485-M487 VanDerWaalsContact C-N 3.33Å; P485-M487 PolarHBondContact O-N 3.13Å; M487-T490 PolarHBondContact O-N 3.28Å; M487-L491 HydrophobicContact CE-CD1 4.33Å; M487-L491 HydrophobicContact CG-CD1 4.01Å; M487-L491 WeakPolarHBondContact O-CB 3.43Å; M487-L491 VanDerWaalsContact O-CG 3.25Å; M487-L491 WeakPolarHBondContact O-CG 3.29Å; M487-L491 PolarHBondContact O-N 2.78Å
488	L	86.6	Confident	87	Confident	55 Å²	55	65.3 Å²	65.3	29%	0.288	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-49.2	178.3	-63.2	178.2	0	0	0	111.2	F480 P484 P485 T490 L491 E492	F480-L488 HydrophobicContact CD2-CD2 4.33Å; F480-L488 HydrophobicContact CE2-CD2 3.67Å; F480-L488 HydrophobicContact CZ-CD2 4.43Å; P484-L488 PolarHBondContact O-N 3.35Å; P485-L488 PolarHBondContact O-N 2.72Å; L488-T490 VanDerWaalsContact C-N 3.31Å; L488-T490 PolarHBondContact O-N 3.05Å; L488-L491 PolarHBondContact O-N 3.11Å; L488-E492 WeakPolarHBondContact O-CG 3.35Å; L488-E492 PolarHBondContact O-N 3.46Å
489	A	89.2	Confident	86.8	Confident	46 Å²	46	68 Å²	68	38%	0.38	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-41.6	176.7	0	0	0	0	0	112.2	P485 E492 I493	P485-A489 WeakPolarHBondContact O-CB 3.17Å; P485-A489 PolarHBondContact O-N 3.28Å; A489-E492 PolarHBondContact O-N 2.81Å; A489-I493 VanDerWaalsContact O-CG1 3.25Å; A489-I493 WeakPolarHBondContact O-CG1 3.5Å; A489-I493 PolarHBondContact O-N 3.15Å
490	T	88.6	Confident	86.5	Confident	55 Å²	55	65.3 Å²	65.3	34%	0.337	36%	0.355	S	S	.	.	H	α-helix	trans	-68.8	-36.9	178.2	-59.3	0	0	0	0	112	M406 E486 M487 L488 H494	M406-T490 HydrophobicContact CE-CG2 3.5Å; M406-T490 VanDerWaalsContact CE-CG2 3.5Å; E486-T490 VanDerWaalsContact O-CB 3.32Å; E486-T490 WeakPolarHBondContact O-CB 3.38Å; E486-T490 PolarHBondContact O-N 3.03Å; E486-T490 PolarHBondContact O-OG1 3.11Å; M487-T490 PolarHBondContact O-N 3.28Å; L488-T490 VanDerWaalsContact C-N 3.31Å; L488-T490 PolarHBondContact O-N 3.05Å; T490-H494 PolarHBondContact O-CD2 3.29Å; T490-H494 PolarHBondContact O-N 3.31Å
491	L	87.9	Confident	86.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.1	-38.1	173.4	-74.5	167.3	0	0	0	112.3	M406 Y432 F476 F480 M487 L488 H494 A495	M406-L491 HydrophobicContact CE-CD2 4.14Å; M406-L491 HydrophobicContact CE-CG 3.79Å; M406-L491 HydrophobicContact SD-CD2 4.02Å; M406-L491 HydrophobicContact SD-CG 4.09Å; Y432-L491 HydrophobicContact CD2-CD1 4.2Å; Y432-L491 HydrophobicContact CE1-CB 4.19Å; Y432-L491 HydrophobicContact CE1-CD2 4.48Å; Y432-L491 HydrophobicContact CE2-CB 4.42Å; Y432-L491 HydrophobicContact CE2-CD1 3.81Å; F476-L491 HydrophobicContact CZ-CD2 4.22Å; F480-L491 HydrophobicContact CD2-CD1 4.01Å; F480-L491 HydrophobicContact CE2-CD1 4.15Å; M487-L491 HydrophobicContact CE-CD1 4.33Å; M487-L491 HydrophobicContact CG-CD1 4.01Å; M487-L491 WeakPolarHBondContact O-CB 3.43Å; M487-L491 VanDerWaalsContact O-CG 3.25Å; M487-L491 WeakPolarHBondContact O-CG 3.29Å; M487-L491 PolarHBondContact O-N 2.78Å; L488-L491 PolarHBondContact O-N 3.11Å; L491-H494 PolarHBondContact O-N 3.26Å; L491-A495 VanDerWaalsContact O-CB 3.27Å; L491-A495 WeakPolarHBondContact O-CB 3.27Å; L491-A495 PolarHBondContact O-N 3.22Å
492	E	87.3	Confident	86.3	Confident	130 Å²	130	58.9 Å²	58.9	61%	0.607	33%	0.331	S	S	*	.	H	α-helix	trans	-66.4	-44.1	175	-73.6	177.9	175.9	0	0	111.9	L488 A489 H494 A495 A496	L488-E492 WeakPolarHBondContact O-CG 3.35Å; L488-E492 PolarHBondContact O-N 3.46Å; A489-E492 PolarHBondContact O-N 2.81Å; E492-H494 PolarHBondContact O-N 3.29Å; E492-A495 PolarHBondContact O-N 2.88Å; E492-A496 PolarHBondContact O-N 3.14Å
493	I	88.4	Confident	86	Confident	103 Å²	103	58.6 Å²	58.6	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-48.7	173.7	-68	166	0	0	0	110.3	A489 A495 A496 V497	A489-I493 VanDerWaalsContact O-CG1 3.25Å; A489-I493 WeakPolarHBondContact O-CG1 3.5Å; A489-I493 PolarHBondContact O-N 3.15Å; I493-A495 VanDerWaalsContact C-N 3.34Å; I493-A495 PolarHBondContact O-N 3.41Å; I493-A496 PolarHBondContact O-N 2.78Å; I493-V497 WeakPolarHBondContact O-CG2 3.34Å; I493-V497 PolarHBondContact O-N 3.14Å
494	H	88.1	Confident	85.9	Confident	46 Å²	46	62 Å²	62	21%	0.213	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-35.1	176.4	-70.2	-45.7	0	0	0	112.6	M406 T490 L491 E492 V497 R498	M406-H494 PolarHBondContact O-CD2 3.2Å; T490-H494 PolarHBondContact O-CD2 3.29Å; T490-H494 PolarHBondContact O-N 3.31Å; L491-H494 PolarHBondContact O-N 3.26Å; E492-H494 PolarHBondContact O-N 3.29Å; H494-V497 PolarHBondContact O-N 3.14Å; H494-R498 WeakPolarHBondContact O-CB 3.14Å; H494-R498 WeakPolarHBondContact O-CG 3.22Å; H494-R498 PolarHBondContact O-N 3.06Å
495	A	86.9	Confident	85.7	Confident	10 Å²	10	60.4 Å²	60.4	8%	0.083	32%	0.321	C	S	.	.	H	α-helix	trans	-66.1	-38.6	174.8	0	0	0	0	0	112.5	L491 E492 I493 R498 K499	L491-A495 VanDerWaalsContact O-CB 3.27Å; L491-A495 WeakPolarHBondContact O-CB 3.27Å; L491-A495 PolarHBondContact O-N 3.22Å; E492-A495 PolarHBondContact O-N 2.88Å; I493-A495 VanDerWaalsContact C-N 3.34Å; I493-A495 PolarHBondContact O-N 3.41Å; A495-R498 PolarHBondContact O-N 2.65Å; A495-K499 WeakPolarHBondContact O-CD 3.4Å; A495-K499 WeakPolarHBondContact O-CE 3.41Å; A495-K499 VanDerWaalsContact O-CG 3.26Å; A495-K499 WeakPolarHBondContact O-CG 3.35Å; A495-K499 PolarHBondContact O-N 2.75Å
496	A	86.4	Confident	85.7	Confident	59 Å²	59	56.4 Å²	56.4	49%	0.488	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-44.2	172.7	0	0	0	0	0	111.2	E492 I493 K499 A500	E492-A496 PolarHBondContact O-N 3.14Å; I493-A496 PolarHBondContact O-N 2.78Å; A496-K499 PolarHBondContact O-N 3.43Å; A496-A500 WeakPolarHBondContact O-CB 3.27Å; A496-A500 PolarHBondContact O-N 3.39Å
497	V	86.1	Confident	85.6	Confident	39 Å²	39	50.3 Å²	50.3	24%	0.236	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-45.5	173.7	168.2	0	0	0	0	111.6	L369 I493 H494 K499 A500 Q501	L369-V497 HydrophobicContact CD2-CG1 4.47Å; I493-V497 WeakPolarHBondContact O-CG2 3.34Å; I493-V497 PolarHBondContact O-N 3.14Å; H494-V497 PolarHBondContact O-N 3.14Å; V497-K499 VanDerWaalsContact C-N 3.3Å; V497-K499 PolarHBondContact O-N 2.89Å; V497-A500 PolarHBondContact O-N 3.15Å; V497-Q501 HydrophobicContact CG1-CG 4.4Å; V497-Q501 WeakPolarHBondContact O-CB 3.24Å; V497-Q501 WeakPolarHBondContact O-CG 3.35Å; V497-Q501 PolarHBondContact O-N 3.05Å
498	R	88.3	Confident	85.5	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-35.6	176.5	-74	-169	-57.1	-86.7	0.3	112.9	Q407 F408 E437 D441 L445 H494 A495 Y502	Q407-R498 WeakPolarHBondContact O-CD 3.44Å; Q407-R498 PolarHBondContact O-NH1 2.94Å; F408-R498 HydrophobicContact CD1-CG 4.44Å; E437-R498 IonicContact OE1-CZ 3.4Å; E437-R498 IonicContact OE1-NE 3.58Å; E437-R498 IonicContact OE1-NH2 3.47Å; E437-R498 PolarHBondContact OE1-NH2 2.63Å; D441-R498 WeakPolarHBondContact OD1-CB 3.47Å; D441-R498 WeakPolarHBondContact OD1-CD 3.43Å; D441-R498 IonicContact OD1-NE 2.75Å; D441-R498 PolarHBondContact OD1-NE 3.35Å; D441-R498 IonicContact OD2-NE 3.11Å; L445-R498 HydrophobicContact CD2-CB 4.1Å; L445-R498 VanDerWaalsContact CD2-CD 3.47Å; L445-R498 HydrophobicContact CD2-CG 3.67Å; H494-R498 WeakPolarHBondContact O-CB 3.14Å; H494-R498 WeakPolarHBondContact O-CG 3.22Å; H494-R498 PolarHBondContact O-N 3.06Å; A495-R498 PolarHBondContact O-N 2.65Å; R498-Y502 WeakPolarHBondContact O-CD2 3.49Å
499	K	84.3	Confident	85.6	Confident	92 Å²	92	47.7 Å²	47.7	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-79.1	-39.8	179.4	-68.3	168	-147.6	-158.1	0	112.4	S440 A495 A496 V497	S440-K499 WeakPolarHBondContact O-CG 3.25Å; S440-K499 WeakPolarHBondContact OG-CE 3.25Å; S440-K499 PolarHBondContact OG-NZ 3.05Å; A495-K499 WeakPolarHBondContact O-CD 3.4Å; A495-K499 WeakPolarHBondContact O-CE 3.41Å; A495-K499 VanDerWaalsContact O-CG 3.26Å; A495-K499 WeakPolarHBondContact O-CG 3.35Å; A495-K499 PolarHBondContact O-N 2.75Å; A496-K499 PolarHBondContact O-N 3.43Å; V497-K499 VanDerWaalsContact C-N 3.3Å; V497-K499 PolarHBondContact O-N 2.89Å
500	A	83.3	Confident	85.4	Confident	44 Å²	44	47.5 Å²	47.5	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-76.6	-31.4	-177.3	0	0	0	0	0	114.2	I47 A496 V497	I47-A500 HydrophobicContact CG2-CB 4.18Å; A496-A500 WeakPolarHBondContact O-CB 3.27Å; A496-A500 PolarHBondContact O-N 3.39Å; V497-A500 PolarHBondContact O-N 3.15Å
501	Q	82.6	Confident	85.3	Confident	19 Å²	19	45.2 Å²	45.2	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-94	-54.4	-172.9	-64.9	179.7	-11.6	0	0	113.1	S50 K51 F52 V497 F503	S50-Q501 PolarHBondContact OG-O 3.34Å; K51-Q501 HydrophobicContact CB-CG 4.14Å; F52-Q501 HydrophobicContact CB-CB 4.2Å; F52-Q501 WeakPolarHBondContact CB-O 3.5Å; V497-Q501 HydrophobicContact CG1-CG 4.4Å; V497-Q501 WeakPolarHBondContact O-CB 3.24Å; V497-Q501 WeakPolarHBondContact O-CG 3.35Å; V497-Q501 PolarHBondContact O-N 3.05Å; Q501-F503 VanDerWaalsContact C-N 3.28Å; Q501-F503 PolarHBondContact O-N 3.45Å
502	Y	83.9	Confident	85.3	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.227	C	C	.	.	S	Bend	trans	-92.6	27.9	-166.4	-40.2	-95.4	0	0	0	113.8	F52 L369 F408 G442 G444 L445 L448 R498	F52-Y502 HydrophobicContact CB-CD1 4.3Å; F52-Y502 HydrophobicContact CD1-CD1 4.05Å; F52-Y502 AromaticContact CD2-CD1 3.71Å; F52-Y502 HydrophobicContact CD2-CD1 3.71Å; F52-Y502 AromaticContact CD2-CE1 3.96Å; F52-Y502 HydrophobicContact CD2-CE1 3.96Å; F52-Y502 HydrophobicContact CE1-CD1 4.25Å; F52-Y502 AromaticContact CE2-CD1 3.98Å; F52-Y502 HydrophobicContact CE2-CD1 3.98Å; F52-Y502 HydrophobicContact CE2-CE1 4.36Å; F52-Y502 AromaticContact CG-CD1 3.78Å; F52-Y502 HydrophobicContact CG-CD1 3.78Å; F52-Y502 HydrophobicContact CG-CE1 4.33Å; F52-Y502 HydrophobicContact CG-CG 4.49Å; F52-Y502 HydrophobicContact CZ-CD1 4.24Å; L369-Y502 WeakPolarHBondContact CB-OH 3.36Å; L369-Y502 VanDerWaalsContact O-CE1 3.32Å; L369-Y502 WeakPolarHBondContact O-CE1 3.04Å; L369-Y502 PolarHBondContact O-OH 2.99Å; F408-Y502 HydrophobicContact CE1-CE2 4.33Å; G442-Y502 CarbonylContact C-O 3.6Å; G442-Y502 VanDerWaalsContact C-O 3.28Å; G442-Y502 WeakPolarHBondContact CA-O 3.12Å; G444-Y502 VanDerWaalsContact CA-O 3.31Å; G444-Y502 WeakPolarHBondContact CA-O 3.35Å; G444-Y502 PolarHBondContact N-O 3.13Å; L445-Y502 HydrophobicContact CB-CD1 4.37Å; L445-Y502 HydrophobicContact CB-CD2 4.24Å; L445-Y502 HydrophobicContact CB-CG 3.81Å; L445-Y502 HydrophobicContact CD2-CD2 4.27Å; L448-Y502 HydrophobicContact CD1-CD1 4.04Å; L448-Y502 HydrophobicContact CD1-CE1 4.34Å; R498-Y502 WeakPolarHBondContact O-CD2 3.49Å
503	F	78.8	Confident	85.2	Confident	144 Å²	144	39.2 Å²	39.2	63%	0.632	20%	0.198	S	C	*	.	S	Bend	trans	-63.2	-42.7	-176	177.4	-111.7	0	0	0	112.8	Q501	Q501-F503 VanDerWaalsContact C-N 3.28Å; Q501-F503 PolarHBondContact O-N 3.45Å
504	R	79.7	Confident	85	Confident	137 Å²	137	34.6 Å²	34.6	52%	0.517	18%	0.175	S	C	.	.	S	Bend	trans	-110.1	164.3	172.2	-73.5	178.3	172.1	-176.1	-5.5	110.1	F52	F52-R504 WeakPolarHBondContact CD1-O 3.04Å; F52-R504 WeakPolarHBondContact CE1-O 3.08Å
505	C	83.1	Confident	84.8	Confident	12 Å²	12	32.7 Å²	32.7	8%	0.081	17%	0.166	C	C	.	.			trans	-112	119.8	175.4	-157.3	0	0	0	0	109.4	I447 V509 Y510	I447-C505 HydrophobicContact CD1-CB 4.05Å; C505-V509 VanDerWaalsContact SG-CG1 3.58Å; C505-Y510 HydrophobicContact CB-CE1 4.07Å; C505-Y510 HydrophobicContact CB-CE2 4.34Å; C505-Y510 WeakPolarHBondContact O-CE2 3.46Å
506	P	84.5	Confident	84.5	Confident	20 Å²	20	32.8 Å²	32.8	13%	0.13	17%	0.166	C	C	.	.			trans	-61.9	150.8	-179.6	-25.9	34.5	0	0	0	113.9	F52 V509	F52-P506 HydrophobicContact CD1-CG 4.2Å; F52-P506 HydrophobicContact CE1-CG 4.12Å; F52-P506 HydrophobicContact CZ-CG 4.44Å; P506-V509 HydrophobicContact CB-CG2 4.44Å; P506-V509 WeakPolarHBondContact O-CB 3.43Å; P506-V509 PolarHBondContact O-N 2.92Å
507	R	84.6	Confident	84.1	Confident	33 Å²	33	31 Å²	31	13%	0.125	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-37.4	-176.5	-56.2	-174.8	92.9	167.3	6.3	113.9	E59 V509 Y510 R511 E526 P535 D537	E59-R507 WeakPolarHBondContact OE2-CD 3.21Å; E59-R507 VanDerWaalsContact OE2-CG 3.25Å; E59-R507 WeakPolarHBondContact OE2-CG 3.34Å; R507-V509 PolarHBondContact O-N 3.42Å; R507-Y510 PolarHBondContact O-N 3.31Å; R507-Y510 VanDerWaalsContact O-N 3.11Å; R507-R511 WeakPolarHBondContact O-CG 3.42Å; R507-R511 PolarHBondContact O-N 3.25Å; R507-E526 IonicContact CZ-OE2 3.65Å; R507-E526 IonicContact NE-OE2 3.76Å; R507-E526 IonicContact NH2-OE1 2.69Å; R507-E526 IonicContact NH2-OE2 2.75Å; R507-E526 PolarHBondContact NH2-OE2 3.4Å; R507-P535 VanDerWaalsContact CZ-O 3.3Å; R507-P535 PolarHBondContact NH1-O 3.09Å; R507-D537 IonicContact CZ-OD1 3.35Å; R507-D537 IonicContact NH1-OD1 2.66Å; R507-D537 PolarHBondContact NH1-OD1 2.91Å; R507-D537 IonicContact NH1-OD2 2.66Å; R507-D537 PolarHBondContact NH1-OD2 3.47Å; R507-D537 IonicContact NH2-OD1 3.16Å
508	P	86.6	Confident	83.6	Confident	5 Å²	5	30.1 Å²	30.1	3%	0.032	14%	0.141	C	C	.	.	H	α-helix	trans	-54.2	-31.6	170.5	-32.8	40.9	0	0	0	115.4	C56 D333 A336 R511 H512	C56-P508 VanDerWaalsContact SG-CG 3.59Å; D333-P508 WeakPolarHBondContact O-CB 3.47Å; A336-P508 HydrophobicContact CB-CB 3.92Å; P508-R511 WeakPolarHBondContact O-CB 3.46Å; P508-R511 PolarHBondContact O-N 2.9Å; P508-H512 WeakPolarHBondContact O-CB 3.37Å; P508-H512 PolarHBondContact O-N 2.95Å
509	V	88.2	Confident	82.8	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-70.3	-39.4	177.3	-171.2	0	0	0	0	110.9	A336 L339 I447 L448 I451 C505 P506 R507 H512 I513	A336-V509 HydrophobicContact CB-CG2 4.42Å; L339-V509 HydrophobicContact CD1-CG1 4.03Å; L339-V509 HydrophobicContact CD1-CG2 4.16Å; I447-V509 HydrophobicContact CG2-CG1 4.04Å; L448-V509 HydrophobicContact CD2-CG1 4.33Å; I451-V509 HydrophobicContact CD1-CG1 3.51Å; C505-V509 VanDerWaalsContact SG-CG1 3.58Å; P506-V509 HydrophobicContact CB-CG2 4.44Å; P506-V509 WeakPolarHBondContact O-CB 3.43Å; P506-V509 PolarHBondContact O-N 2.92Å; R507-V509 PolarHBondContact O-N 3.42Å; V509-H512 WeakPolarHBondContact O-CB 3.3Å; V509-H512 PolarHBondContact O-N 2.99Å; V509-I513 HydrophobicContact CG1-CD1 4.39Å; V509-I513 VanDerWaalsContact O-CG1 3.32Å; V509-I513 WeakPolarHBondContact O-CG1 3.46Å; V509-I513 PolarHBondContact O-N 3.24Å
510	Y	86.7	Confident	82.5	Confident	43 Å²	43	33.8 Å²	33.8	17%	0.169	17%	0.165	C	C	.	.	H	α-helix	trans	-66.4	-39.4	172.6	-58.7	-51.4	0	0	0	112.3	I447 C505 R507 H512 I513 F514 L523 P524 F534	I447-Y510 HydrophobicContact CD1-CE1 4.18Å; C505-Y510 HydrophobicContact CB-CE1 4.07Å; C505-Y510 HydrophobicContact CB-CE2 4.34Å; C505-Y510 WeakPolarHBondContact O-CE2 3.46Å; R507-Y510 PolarHBondContact O-N 3.31Å; R507-Y510 VanDerWaalsContact O-N 3.11Å; Y510-H512 VanDerWaalsContact C-N 3.27Å; Y510-H512 PolarHBondContact O-N 2.83Å; Y510-I513 HydrophobicContact CD1-CD1 4.23Å; Y510-I513 PolarHBondContact O-N 3.43Å; Y510-F514 WeakPolarHBondContact O-CB 3.36Å; Y510-F514 PolarHBondContact O-N 3.16Å; Y510-F514 VanDerWaalsContact O-N 3.13Å; Y510-L523 HydrophobicContact CD1-CD2 4.12Å; Y510-P524 HydrophobicContact CD1-CG 3.93Å; Y510-P524 HydrophobicContact CD2-CG 3.75Å; Y510-P524 HydrophobicContact CE1-CG 3.73Å; Y510-P524 HydrophobicContact CE2-CG 3.55Å; Y510-P524 HydrophobicContact CG-CG 3.94Å; Y510-F534 HydrophobicContact CG-CE1 4.49Å; Y510-F534 WeakPolarHBondContact O-CE2 3.38Å
511	R	86.8	Confident	82.3	Confident	6 Å²	6	32 Å²	32	2%	0.023	15%	0.149	C	C	.	.	H	α-helix	trans	-56.5	-43.4	170.1	-62	171.6	-167.4	141.5	12.1	110.4	E59 P334 L335 R507 P508 F514 L515 P533 F534	E59-R511 IonicContact OE1-NH2 2.96Å; E59-R511 PolarHBondContact OE1-NH2 2.76Å; E59-R511 VanDerWaalsContact OE1-NH2 3.16Å; P334-R511 WeakPolarHBondContact O-CD 3.07Å; P334-R511 PolarHBondContact O-NH1 2.94Å; P334-R511 VanDerWaalsContact O-NH1 3.08Å; L335-R511 HydrophobicContact CD2-CB 4.07Å; R507-R511 WeakPolarHBondContact O-CG 3.42Å; R507-R511 PolarHBondContact O-N 3.25Å; P508-R511 WeakPolarHBondContact O-CB 3.46Å; P508-R511 PolarHBondContact O-N 2.9Å; R511-F514 PolarHBondContact O-N 3.5Å; R511-L515 WeakPolarHBondContact O-CB 3.49Å; R511-L515 WeakPolarHBondContact O-CG 3.45Å; R511-L515 PolarHBondContact O-N 3.14Å; R511-P533 WeakPolarHBondContact CG-O 3.48Å; R511-F534 HydrophobicContact CG-CB 3.86Å; R511-F534 HydrophobicContact CG-CD2 4.2Å; R511-F534 HydrophobicContact CG-CG 4.5Å; R511-F534 VanDerWaalsContact CZ-O 3.24Å; R511-F534 PolarHBondContact NE-O 2.91Å; R511-F534 PolarHBondContact NH2-O 3.12Å
512	H	87.1	Confident	82	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.019	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-47.4	179.3	-165.8	43.6	0	0	0	113.8	L335 A336 L339 R455 P508 V509 Y510 F514 L515 S516	L335-H512 WeakPolarHBondContact O-CB 3.48Å; L335-H512 PolarHBondContact O-ND1 3.38Å; A336-H512 HydrophobicContact CB-CB 4.15Å; A336-H512 PolarHBondContact O-CD2 3.38Å; A336-H512 PolarHBondContact O-NE2 3.24Å; L339-H512 VanDerWaalsContact CB-CD2 3.49Å; L339-H512 WeakPolarHBondContact CB-CD2 3.19Å; L339-H512 WeakPolarHBondContact CB-NE2 3.22Å; R455-H512 PolarHBondContact NH1-NE2 3.12Å; R455-H512 PolarHBondContact NH2-CD2 3Å; R455-H512 VanDerWaalsContact NH2-CD2 3.34Å; R455-H512 PolarHBondContact NH2-NE2 3.15Å; P508-H512 WeakPolarHBondContact O-CB 3.37Å; P508-H512 PolarHBondContact O-N 2.95Å; V509-H512 WeakPolarHBondContact O-CB 3.3Å; V509-H512 PolarHBondContact O-N 2.99Å; Y510-H512 VanDerWaalsContact C-N 3.27Å; Y510-H512 PolarHBondContact O-N 2.83Å; H512-F514 VanDerWaalsContact C-N 3.27Å; H512-F514 PolarHBondContact O-N 3.18Å; H512-L515 PolarHBondContact O-N 3.23Å; H512-S516 VanDerWaalsContact O-CB 3.24Å; H512-S516 WeakPolarHBondContact O-CB 3.29Å; H512-S516 PolarHBondContact O-N 3.06Å; H512-S516 PolarHBondContact O-OG 2.9Å
513	I	86	Confident	81.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.4	-47.4	176.6	-67.5	160.9	0	0	0	109.9	I447 I451 V509 Y510 S516 K517 N518 I521 L523	I447-I513 HydrophobicContact CG2-CD1 3.69Å; I451-I513 HydrophobicContact CD1-CD1 4.05Å; I451-I513 HydrophobicContact CD1-CG1 3.65Å; I451-I513 HydrophobicContact CG1-CD1 4.48Å; I451-I513 HydrophobicContact CG1-CG1 3.89Å; V509-I513 HydrophobicContact CG1-CD1 4.39Å; V509-I513 VanDerWaalsContact O-CG1 3.32Å; V509-I513 WeakPolarHBondContact O-CG1 3.46Å; V509-I513 PolarHBondContact O-N 3.24Å; Y510-I513 HydrophobicContact CD1-CD1 4.23Å; Y510-I513 PolarHBondContact O-N 3.43Å; I513-S516 PolarHBondContact O-OG 3.15Å; I513-K517 PolarHBondContact O-N 2.97Å; I513-N518 HydrophobicContact CG2-CB 4.28Å; I513-N518 WeakPolarHBondContact CG2-O 3.32Å; I513-N518 PolarHBondContact O-N 2.88Å; I513-N518 VanDerWaalsContact O-N 3.12Å; I513-I521 HydrophobicContact CD1-CG2 3.98Å; I513-I521 HydrophobicContact CG1-CD1 4.44Å; I513-I521 HydrophobicContact CG2-CB 4.09Å; I513-L523 HydrophobicContact CB-CD2 3.88Å; I513-L523 HydrophobicContact CD1-CD2 4.17Å; I513-L523 HydrophobicContact CG2-CD2 3.67Å; I513-L523 HydrophobicContact CG2-CG 4.15Å
514	F	83.2	Confident	81.6	Confident	7 Å²	7	33.6 Å²	33.6	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-50.4	179.5	179.8	-94.7	0	0	0	112.4	Y510 R511 H512 S516 K517 L523 V528 T530 P533 F534	Y510-F514 WeakPolarHBondContact O-CB 3.36Å; Y510-F514 PolarHBondContact O-N 3.16Å; Y510-F514 VanDerWaalsContact O-N 3.13Å; R511-F514 PolarHBondContact O-N 3.5Å; H512-F514 VanDerWaalsContact C-N 3.27Å; H512-F514 PolarHBondContact O-N 3.18Å; F514-S516 PolarHBondContact O-N 2.88Å; F514-K517 PolarHBondContact O-N 3.38Å; F514-K517 VanDerWaalsContact O-N 3.14Å; F514-L523 HydrophobicContact CB-CD1 4.26Å; F514-L523 HydrophobicContact CD2-CD1 4.24Å; F514-V528 HydrophobicContact CD1-CG1 4.26Å; F514-V528 HydrophobicContact CD2-CG1 3.71Å; F514-V528 HydrophobicContact CE1-CG1 4.14Å; F514-V528 HydrophobicContact CE2-CG1 3.55Å; F514-V528 HydrophobicContact CG-CG1 4.06Å; F514-V528 HydrophobicContact CZ-CG1 3.78Å; F514-T530 HydrophobicContact CE1-CG2 3.86Å; F514-T530 HydrophobicContact CZ-CG2 4.13Å; F514-P533 HydrophobicContact CD1-CB 3.79Å; F514-P533 HydrophobicContact CD1-CG 4.37Å; F514-P533 HydrophobicContact CE1-CB 4.08Å; F514-F534 HydrophobicContact CB-CE2 4.23Å
515	L	83.6	Confident	81	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-71.5	-28.8	-176.9	-66.9	170.7	0	0	0	113.9	L297 A300 L301 S304 L335 R511 H512 K517 P533	L297-L515 HydrophobicContact CD2-CD1 3.73Å; L297-L515 HydrophobicContact CD2-CD2 4.01Å; L297-L515 HydrophobicContact CD2-CG 4.48Å; A300-L515 HydrophobicContact CB-CD1 4.12Å; L301-L515 HydrophobicContact CD1-CD2 4.49Å; L301-L515 HydrophobicContact CD2-CD2 3.67Å; L301-L515 HydrophobicContact CG-CD2 3.87Å; S304-L515 VanDerWaalsContact CB-O 3.29Å; S304-L515 WeakPolarHBondContact CB-O 3.41Å; S304-L515 PolarHBondContact OG-O 3.41Å; L335-L515 HydrophobicContact CD1-CD1 3.82Å; L335-L515 HydrophobicContact CD2-CD1 3.68Å; L335-L515 HydrophobicContact CG-CD1 4.23Å; R511-L515 WeakPolarHBondContact O-CB 3.49Å; R511-L515 WeakPolarHBondContact O-CG 3.45Å; R511-L515 PolarHBondContact O-N 3.14Å; H512-L515 PolarHBondContact O-N 3.23Å; L515-K517 VanDerWaalsContact C-N 3.32Å; L515-P533 HydrophobicContact CD2-CG 4.4Å
516	S	80.2	Confident	80.2	Confident	12 Å²	12	36.7 Å²	36.7	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-82.8	-8.6	172.1	63.2	0	0	0	0	113.8	R455 H512 I513 F514 N518	R455-S516 PolarHBondContact NH2-OG 2.97Å; H512-S516 VanDerWaalsContact O-CB 3.24Å; H512-S516 WeakPolarHBondContact O-CB 3.29Å; H512-S516 PolarHBondContact O-N 3.06Å; H512-S516 PolarHBondContact O-OG 2.9Å; I513-S516 PolarHBondContact O-OG 3.15Å; F514-S516 PolarHBondContact O-N 2.88Å; S516-N518 VanDerWaalsContact C-N 3.27Å; S516-N518 PolarHBondContact O-N 2.97Å
517	K	78.7	Confident	78.9	Confident	22 Å²	22	37.5 Å²	37.5	10%	0.096	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	29.8	177.8	-53.3	177.1	179.2	-179.8	0	113.3	E246 Y249 W250 D305 L308 I513 F514 L515 L519	E246-K517 WeakPolarHBondContact OE1-CE 3.23Å; E246-K517 IonicContact OE1-NZ 2.68Å; E246-K517 WeakPolarHBondContact OE2-CE 3.34Å; E246-K517 IonicContact OE2-NZ 3.86Å; E246-K517 PolarHBondContact OE2-NZ 3.45Å; Y249-K517 HydrophobicContact CD1-CD 4.08Å; Y249-K517 HydrophobicContact CD2-CD 4.47Å; Y249-K517 HydrophobicContact CE1-CD 3.62Å; Y249-K517 HydrophobicContact CE2-CD 4.02Å; W250-K517 HydrophobicContact CZ2-CB 4.49Å; W250-K517 HydrophobicContact CZ2-CD 4.09Å; W250-K517 HydrophobicContact CZ2-CG 4.27Å; D305-K517 IonicContact OD1-NZ 2.71Å; D305-K517 PolarHBondContact OD1-NZ 2.69Å; L308-K517 HydrophobicContact CD1-CD 4.28Å; I513-K517 PolarHBondContact O-N 2.97Å; F514-K517 PolarHBondContact O-N 3.38Å; F514-K517 VanDerWaalsContact O-N 3.14Å; L515-K517 VanDerWaalsContact C-N 3.32Å; K517-L519 PolarHBondContact O-N 3.36Å
518	N	76.1	Confident	77.9	Confident	21 Å²	21	37.1 Å²	37.1	11%	0.112	21%	0.214	C	C	.	.			trans	-74.2	56.2	171.7	-82	32.1	0	0	0	111.2	Q454 R455 I513 S516 D520 I521	Q454-N518 PolarHBondContact OE1-ND2 2.77Å; R455-N518 PolarHBondContact NE-ND2 3.25Å; I513-N518 HydrophobicContact CG2-CB 4.28Å; I513-N518 WeakPolarHBondContact CG2-O 3.32Å; I513-N518 PolarHBondContact O-N 2.88Å; I513-N518 VanDerWaalsContact O-N 3.12Å; S516-N518 VanDerWaalsContact C-N 3.27Å; S516-N518 PolarHBondContact O-N 2.97Å; N518-D520 PolarHBondContact O-N 3.44Å; N518-D520 VanDerWaalsContact O-N 3.16Å; N518-I521 HydrophobicContact CB-CD1 4.26Å; N518-I521 PolarHBondContact O-N 3.23Å; N518-I521 VanDerWaalsContact O-N 3.15Å
519	L	71.8	Confident	77.2	Confident	55 Å²	55	38 Å²	38	29%	0.288	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-2.4	-168.7	-57.7	-177.8	0	0	0	115.2	W250 K517 I521 W557	W250-L519 HydrophobicContact CH2-CD1 3.4Å; W250-L519 VanDerWaalsContact CH2-CD1 3.4Å; W250-L519 HydrophobicContact CH2-CG 4.48Å; W250-L519 HydrophobicContact CZ2-CD1 3.66Å; W250-L519 HydrophobicContact CZ3-CD1 4.27Å; K517-L519 PolarHBondContact O-N 3.36Å; L519-I521 PolarHBondContact O-N 3.08Å; L519-W557 HydrophobicContact CD1-CH2 3.28Å; L519-W557 HydrophobicContact CD1-CZ2 3.32Å; L519-W557 HydrophobicContact CD1-CZ3 3.92Å
520	D	76.4	Confident	76.7	Confident	116 Å²	116	38.1 Å²	38.1	62%	0.62	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-25.7	163.9	-81	12	0	0	0	111.8	K418 N518	K418-D520 IonicContact NZ-OD2 2.77Å; K418-D520 PolarHBondContact NZ-OD2 3.05Å; N518-D520 PolarHBondContact O-N 3.44Å; N518-D520 VanDerWaalsContact O-N 3.16Å
521	I	79	Confident	76.3	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.031	21%	0.211	C	C	.	.	S	Bend	trans	-92	127.7	-173.3	-51.9	-178	0	0	0	110.3	I447 D450 I451 I513 N518 L519 L523	I447-I521 HydrophobicContact CG1-CG2 4.23Å; I447-I521 HydrophobicContact CG2-CG2 4.34Å; D450-I521 HydrophobicContact CB-CD1 3.88Å; D450-I521 HydrophobicContact CB-CG1 4.17Å; I451-I521 HydrophobicContact CB-CD1 4.27Å; I451-I521 HydrophobicContact CG1-CD1 3.47Å; I451-I521 VanDerWaalsContact CG1-CD1 3.47Å; I513-I521 HydrophobicContact CD1-CG2 3.98Å; I513-I521 HydrophobicContact CG1-CD1 4.44Å; I513-I521 HydrophobicContact CG2-CB 4.09Å; N518-I521 HydrophobicContact CB-CD1 4.26Å; N518-I521 PolarHBondContact O-N 3.23Å; N518-I521 VanDerWaalsContact O-N 3.15Å; L519-I521 PolarHBondContact O-N 3.08Å; I521-L523 PolarHBondContact O-N 3.39Å
522	P	76.5	Confident	76	Confident	108 Å²	108	36.4 Å²	36.4	70%	0.701	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-58.5	122.8	176.5	-25.6	35.1	0	0	0	112.8
523	L	78.3	Confident	75.7	Confident	53 Å²	53	36.2 Å²	36.2	28%	0.277	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-94.4	153.6	171	-71.9	176.2	0	0	0	111	Y510 I513 F514 I521 F534	Y510-L523 HydrophobicContact CD1-CD2 4.12Å; I513-L523 HydrophobicContact CB-CD2 3.88Å; I513-L523 HydrophobicContact CD1-CD2 4.17Å; I513-L523 HydrophobicContact CG2-CD2 3.67Å; I513-L523 HydrophobicContact CG2-CG 4.15Å; F514-L523 HydrophobicContact CB-CD1 4.26Å; F514-L523 HydrophobicContact CD2-CD1 4.24Å; I521-L523 PolarHBondContact O-N 3.39Å; L523-F534 HydrophobicContact CB-CZ 4.31Å; L523-F534 HydrophobicContact CD1-CZ 4.34Å; L523-F534 HydrophobicContact CD2-CE2 4.25Å; L523-F534 HydrophobicContact CD2-CZ 3.97Å; L523-F534 HydrophobicContact CG-CZ 4.45Å
524	P	77.1	Confident	75.4	Confident	36 Å²	36	36.2 Å²	36.2	23%	0.234	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-57.1	151.4	168.7	-21.8	32.1	0	0	0	111.8	Y510 E526 F534	Y510-P524 HydrophobicContact CD1-CG 3.93Å; Y510-P524 HydrophobicContact CD2-CG 3.75Å; Y510-P524 HydrophobicContact CE1-CG 3.73Å; Y510-P524 HydrophobicContact CE2-CG 3.55Å; Y510-P524 HydrophobicContact CG-CG 3.94Å; P524-E526 HydrophobicContact CB-CB 4.35Å; P524-E526 HydrophobicContact CB-CG 4.34Å; P524-E526 PolarHBondContact O-N 3.21Å; P524-F534 HydrophobicContact CB-CE1 4.25Å; P524-F534 HydrophobicContact CG-CE1 4.08Å
525	S	66.8	Low	75.2	Confident	136 Å²	136	36 Å²	36	95%	0.951	21%	0.21	S	C	*	.	S	Bend	trans	-71.4	22.6	176.8	-56.3	0	0	0	0	114.3
526	E	66.4	Low	75	Confident	78 Å²	78	36.2 Å²	36.2	36%	0.364	21%	0.212	S	C	.	.	S	Bend	trans	-74.3	172.1	-173.4	-92.7	179.6	-119.9	0	0	114.1	R507 P524 V528 F534	R507-E526 IonicContact CZ-OE2 3.65Å; R507-E526 IonicContact NE-OE2 3.76Å; R507-E526 IonicContact NH2-OE1 2.69Å; R507-E526 IonicContact NH2-OE2 2.75Å; R507-E526 PolarHBondContact NH2-OE2 3.4Å; P524-E526 HydrophobicContact CB-CB 4.35Å; P524-E526 HydrophobicContact CB-CG 4.34Å; P524-E526 PolarHBondContact O-N 3.21Å; E526-V528 VanDerWaalsContact C-N 3.27Å; E526-V528 PolarHBondContact O-N 2.82Å; E526-F534 HydrophobicContact CB-CD1 4.1Å; E526-F534 HydrophobicContact CB-CE1 3.98Å
527	S	56.3	Low	74.6	Confident	37 Å²	37	39.8 Å²	39.8	26%	0.259	23%	0.23	S	C	.	.			trans	-76.1	63.8	-174.4	179	0	0	0	0	113.5	Y529 P554	S527-Y529 PolarHBondContact O-N 3.08Å; S527-P554 VanDerWaalsContact OG-CD 3.31Å; S527-P554 WeakPolarHBondContact OG-CD 3.35Å; S527-P554 WeakPolarHBondContact OG-CG 3.49Å
528	V	65.1	Low	74	Confident	26 Å²	26	46.6 Å²	46.6	16%	0.158	26%	0.262	C	S	.	.			trans	-80.4	109.8	-175.9	-166.3	0	0	0	0	112.6	F514 E526 P533 F534	F514-V528 HydrophobicContact CD1-CG1 4.26Å; F514-V528 HydrophobicContact CD2-CG1 3.71Å; F514-V528 HydrophobicContact CE1-CG1 4.14Å; F514-V528 HydrophobicContact CE2-CG1 3.55Å; F514-V528 HydrophobicContact CG-CG1 4.06Å; F514-V528 HydrophobicContact CZ-CG1 3.78Å; E526-V528 VanDerWaalsContact C-N 3.27Å; E526-V528 PolarHBondContact O-N 2.82Å; V528-P533 HydrophobicContact CG1-CB 3.97Å; V528-F534 HydrophobicContact CG1-CE2 4.21Å; V528-F534 HydrophobicContact CG2-CD1 4.17Å; V528-F534 HydrophobicContact CG2-CD2 4.24Å; V528-F534 HydrophobicContact CG2-CE1 3.61Å; V528-F534 HydrophobicContact CG2-CE2 3.68Å; V528-F534 HydrophobicContact CG2-CG 4.46Å; V528-F534 HydrophobicContact CG2-CZ 3.33Å
529	Y	71.9	Confident	73.3	Confident	23 Å²	23	46 Å²	46	9%	0.09	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-104.8	144.8	160.6	-69.3	-67.1	0	0	0	110.6	I219 S527 F531 N532 P533 L552 P554	I219-Y529 HydrophobicContact CG2-CD1 3.68Å; I219-Y529 HydrophobicContact CG2-CE1 3.19Å; I219-Y529 HydrophobicContact CG2-CE2 4.32Å; I219-Y529 HydrophobicContact CG2-CG 4.42Å; S527-Y529 PolarHBondContact O-N 3.08Å; Y529-F531 VanDerWaalsContact C-N 3.27Å; Y529-F531 HydrophobicContact CD1-CE1 4.02Å; Y529-F531 HydrophobicContact CD2-CE1 4.02Å; Y529-F531 HydrophobicContact CD2-CZ 4.08Å; Y529-F531 HydrophobicContact CG-CD1 4.35Å; Y529-F531 AromaticContact CG-CE1 3.55Å; Y529-F531 HydrophobicContact CG-CE1 3.55Å; Y529-F531 HydrophobicContact CG-CZ 4.09Å; Y529-F531 PolarHBondContact O-N 3.36Å; Y529-N532 CarbonylContact O-C 3.45Å; Y529-N532 PolarHBondContact O-N 2.91Å; Y529-P533 WeakPolarHBondContact O-CA 3.34Å; Y529-L552 HydrophobicContact CE2-CB 4.04Å; Y529-L552 WeakPolarHBondContact CE2-O 3.11Å; Y529-L552 PolarHBondContact OH-O 2.76Å; Y529-L552 VanDerWaalsContact OH-O 3.04Å; Y529-P554 HydrophobicContact CD1-CB 4.37Å; Y529-P554 HydrophobicContact CD2-CG 4.26Å; Y529-P554 HydrophobicContact CE1-CB 3.84Å; Y529-P554 HydrophobicContact CE1-CG 4.12Å; Y529-P554 HydrophobicContact CE2-CB 4.43Å; Y529-P554 HydrophobicContact CE2-CG 3.8Å
530	T	76.1	Confident	72.8	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.043	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-33.8	-176.8	-37.8	0	0	0	0	112.8	I242 Q243 E246 L301 F514 N532	I242-T530 HydrophobicContact CG2-CG2 3.56Å; I242-T530 WeakPolarHBondContact CG2-O 3.34Å; Q243-T530 PolarHBondContact NE2-OG1 3.39Å; E246-T530 HydrophobicContact CB-CG2 3.73Å; E246-T530 HydrophobicContact CG-CG2 3.63Å; L301-T530 HydrophobicContact CD1-CG2 4.19Å; F514-T530 HydrophobicContact CE1-CG2 3.86Å; F514-T530 HydrophobicContact CZ-CG2 4.13Å; T530-N532 PolarHBondContact O-N 3.47Å
531	F	78.3	Confident	72	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.026	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8	178.2	74.7	-88.3	0	0	0	114	F215 L216 I219 N239 I242 Y290 L297 Y529	F215-F531 HydrophobicContact CE1-CD1 4.27Å; F215-F531 HydrophobicContact CE1-CD2 4.27Å; F215-F531 HydrophobicContact CE1-CE1 4.49Å; F215-F531 HydrophobicContact CE1-CE2 4.48Å; F215-F531 HydrophobicContact CE1-CG 4.18Å; F215-F531 HydrophobicContact CZ-CD1 4.09Å; F215-F531 HydrophobicContact CZ-CG 4.26Å; L216-F531 HydrophobicContact CD2-CE2 4.11Å; L216-F531 HydrophobicContact CD2-CZ 3.97Å; I219-F531 HydrophobicContact CD1-CD1 3.96Å; I219-F531 HydrophobicContact CD1-CE1 3.28Å; I219-F531 HydrophobicContact CD1-CE2 4.38Å; I219-F531 HydrophobicContact CD1-CZ 3.54Å; I219-F531 HydrophobicContact CG1-CE1 4.11Å; I219-F531 HydrophobicContact CG2-CE1 4.11Å; N239-F531 HydrophobicContact CB-CB 3.92Å; N239-F531 HydrophobicContact CB-CD2 4.24Å; N239-F531 HydrophobicContact CB-CG 4.23Å; I242-F531 HydrophobicContact CB-CB 4.3Å; I242-F531 HydrophobicContact CD1-CB 4.5Å; I242-F531 HydrophobicContact CG2-CB 4.04Å; Y290-F531 HydrophobicContact CE2-CE2 4.41Å; Y290-F531 WeakPolarHBondContact OH-CE2 3.48Å; L297-F531 WeakPolarHBondContact CD1-O 3.49Å; Y529-F531 VanDerWaalsContact C-N 3.27Å; Y529-F531 HydrophobicContact CD1-CE1 4.02Å; Y529-F531 HydrophobicContact CD2-CE1 4.02Å; Y529-F531 HydrophobicContact CD2-CZ 4.08Å; Y529-F531 HydrophobicContact CG-CD1 4.35Å; Y529-F531 AromaticContact CG-CE1 3.55Å; Y529-F531 HydrophobicContact CG-CE1 3.55Å; Y529-F531 HydrophobicContact CG-CZ 4.09Å; Y529-F531 PolarHBondContact O-N 3.36Å
532	N	81.4	Confident	71.2	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.032	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-159.8	69.2	179.3	-167.5	35.1	0	0	0	110.4	R293 Y529 T530	R293-N532 WeakPolarHBondContact CD-OD1 3.4Å; R293-N532 PolarHBondContact NH1-OD1 2.95Å; Y529-N532 CarbonylContact O-C 3.45Å; Y529-N532 PolarHBondContact O-N 2.91Å; T530-N532 PolarHBondContact O-N 3.47Å
533	P	80.6	Confident	70.4	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-77.1	134.2	-175.8	31.2	-33.1	0	0	0	110.7	L297 R511 F514 L515 V528 Y529	L297-P533 HydrophobicContact CD2-CG 3.64Å; R511-P533 WeakPolarHBondContact CG-O 3.48Å; F514-P533 HydrophobicContact CD1-CB 3.79Å; F514-P533 HydrophobicContact CD1-CG 4.37Å; F514-P533 HydrophobicContact CE1-CB 4.08Å; L515-P533 HydrophobicContact CD2-CG 4.4Å; V528-P533 HydrophobicContact CG1-CB 3.97Å; Y529-P533 WeakPolarHBondContact O-CA 3.34Å
534	F	80.2	Confident	69.5	Low	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	40.9	63.9	-179.5	-55.4	-84.6	0	0	0	112.9	Y510 R511 F514 L523 P524 E526 V528	Y510-F534 HydrophobicContact CG-CE1 4.49Å; Y510-F534 WeakPolarHBondContact O-CE2 3.38Å; R511-F534 HydrophobicContact CG-CB 3.86Å; R511-F534 HydrophobicContact CG-CD2 4.2Å; R511-F534 HydrophobicContact CG-CG 4.5Å; R511-F534 VanDerWaalsContact CZ-O 3.24Å; R511-F534 PolarHBondContact NE-O 2.91Å; R511-F534 PolarHBondContact NH2-O 3.12Å; F514-F534 HydrophobicContact CB-CE2 4.23Å; L523-F534 HydrophobicContact CB-CZ 4.31Å; L523-F534 HydrophobicContact CD1-CZ 4.34Å; L523-F534 HydrophobicContact CD2-CE2 4.25Å; L523-F534 HydrophobicContact CD2-CZ 3.97Å; L523-F534 HydrophobicContact CG-CZ 4.45Å; P524-F534 HydrophobicContact CB-CE1 4.25Å; P524-F534 HydrophobicContact CG-CE1 4.08Å; E526-F534 HydrophobicContact CB-CD1 4.1Å; E526-F534 HydrophobicContact CB-CE1 3.98Å; V528-F534 HydrophobicContact CG1-CE2 4.21Å; V528-F534 HydrophobicContact CG2-CD1 4.17Å; V528-F534 HydrophobicContact CG2-CD2 4.24Å; V528-F534 HydrophobicContact CG2-CE1 3.61Å; V528-F534 HydrophobicContact CG2-CE2 3.68Å; V528-F534 HydrophobicContact CG2-CG 4.46Å; V528-F534 HydrophobicContact CG2-CZ 3.33Å
535	P	78.2	Confident	68.6	Low	4 Å²	4	52.1 Å²	52.1	3%	0.026	27%	0.265	C	S	.	.			trans	-58.4	152.4	-175.4	25.2	-34.4	0	0	0	112.6	R507 D540	R507-P535 VanDerWaalsContact CZ-O 3.3Å; R507-P535 PolarHBondContact NH1-O 3.09Å; P535-D540 HydrophobicContact CG-CB 4.21Å; P535-D540 WeakPolarHBondContact CG-OD1 3.38Å
536	P	80	Confident	68.1	Low	8 Å²	8	51.6 Å²	51.6	5%	0.052	25%	0.248	C	C	.	.			trans	-60.9	146	166.2	-17.8	31.3	0	0	0	111.2	Y287 N288 E538 E539 D540	Y287-P536 HydrophobicContact CD1-CG 4.31Å; Y287-P536 HydrophobicContact CE1-CG 4.35Å; N288-P536 VanDerWaalsContact OD1-CG 3.27Å; N288-P536 WeakPolarHBondContact OD1-CG 3.42Å; P536-E538 PolarHBondContact O-N 3.44Å; P536-E539 PolarHBondContact O-N 2.9Å; P536-E539 VanDerWaalsContact O-N 3.11Å; P536-D540 PolarHBondContact O-N 3.44Å
537	D	71.3	Confident	67.5	Low	88 Å²	88	48.5 Å²	48.5	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-41.3	-167.6	-65	-70.5	0	0	0	114.6	R507 E539 D540 E541	R507-D537 IonicContact CZ-OD1 3.35Å; R507-D537 IonicContact NH1-OD1 2.66Å; R507-D537 PolarHBondContact NH1-OD1 2.91Å; R507-D537 IonicContact NH1-OD2 2.66Å; R507-D537 PolarHBondContact NH1-OD2 3.47Å; R507-D537 IonicContact NH2-OD1 3.16Å; D537-E539 PolarHBondContact O-N 3.11Å; D537-E539 VanDerWaalsContact O-N 3.13Å; D537-D540 PolarHBondContact O-N 3.36Å; D537-E541 PolarHBondContact O-N 3.3Å; D537-E541 VanDerWaalsContact O-N 3.14Å
538	E	65.7	Low	67.1	Low	164 Å²	164	52.2 Å²	52.2	77%	0.766	26%	0.26	S	S	*	.	H	α-helix	trans	-54.3	-34.6	178.6	-62.9	-168.5	162.5	0	0	112.9	P536 R542	P536-E538 PolarHBondContact O-N 3.44Å; E538-R542 PolarHBondContact O-N 3.35Å
539	E	62.8	Low	66.2	Low	8 Å²	8	53.8 Å²	53.8	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-89	-26.5	177.9	-176.2	146.4	-115.3	0	0	113.5	Y290 R293 P536 D537 E541 R542 L543	Y290-E539 WeakPolarHBondContact CA-OE2 3.38Å; Y290-E539 WeakPolarHBondContact CB-OE1 3.3Å; Y290-E539 VanDerWaalsContact CB-OE2 3.24Å; Y290-E539 WeakPolarHBondContact CB-OE2 3.44Å; Y290-E539 VanDerWaalsContact CD2-OE2 3.31Å; Y290-E539 WeakPolarHBondContact CD2-OE2 3.43Å; R293-E539 IonicContact CZ-OE2 2.71Å; R293-E539 IonicContact NH1-OE2 2.71Å; R293-E539 PolarHBondContact NH1-OE2 3.44Å; R293-E539 IonicContact NH2-OE2 3.78Å; R293-E539 PolarHBondContact NH2-OE2 3.02Å; P536-E539 PolarHBondContact O-N 2.9Å; P536-E539 VanDerWaalsContact O-N 3.11Å; D537-E539 PolarHBondContact O-N 3.11Å; D537-E539 VanDerWaalsContact O-N 3.13Å; E539-E541 PolarHBondContact O-N 2.8Å; E539-R542 HydrophobicContact CG-CB 4.28Å; E539-R542 CarbonylContact O-C 3.56Å; E539-R542 PolarHBondContact O-N 2.58Å; E539-R542 VanDerWaalsContact O-N 3.07Å; E539-R542 WeakPolarHBondContact OE1-CD 3.28Å; E539-R542 IonicContact OE1-CZ 3.74Å; E539-R542 IonicContact OE1-NE 3.85Å; E539-R542 IonicContact OE1-NH1 3.86Å; E539-R542 PolarHBondContact OE1-NH1 2.8Å; E539-L543 HydrophobicContact CG-CD1 3.97Å; E539-L543 HydrophobicContact CG-CG 3.91Å; E539-L543 WeakPolarHBondContact O-CB 3.41Å; E539-L543 WeakPolarHBondContact O-CG 3.45Å; E539-L543 PolarHBondContact O-N 1.85Å
540	D	60.2	Low	64.8	Low	31 Å²	31	58.9 Å²	58.9	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-36.3	173.7	-149	48.1	0	0	0	109.9	P535 P536 D537 K544	P535-D540 HydrophobicContact CG-CB 4.21Å; P535-D540 WeakPolarHBondContact CG-OD1 3.38Å; P536-D540 PolarHBondContact O-N 3.44Å; D537-D540 PolarHBondContact O-N 3.36Å; D540-K544 WeakPolarHBondContact O-CD 3.24Å; D540-K544 VanDerWaalsContact O-CE 3.25Å; D540-K544 WeakPolarHBondContact O-CE 3.49Å; D540-K544 WeakPolarHBondContact O-CG 3.41Å; D540-K544 PolarHBondContact O-N 2.93Å; D540-K544 VanDerWaalsContact O-N 3.14Å; D540-K544 WeakPolarHBondContact OD2-CE 3.32Å; D540-K544 IonicContact OD2-NZ 3.78Å; D540-K544 PolarHBondContact OD2-NZ 3.2Å
541	E	59.1	Low	63.3	Low	127 Å²	127	63.7 Å²	63.7	59%	0.593	33%	0.331	S	S	*	.	H	α-helix	trans	-63	-49.1	165.2	-64.2	-156	148	0	0	113.6	D537 E539 L543 K544 M545	D537-E541 PolarHBondContact O-N 3.3Å; D537-E541 VanDerWaalsContact O-N 3.14Å; E539-E541 PolarHBondContact O-N 2.8Å; E541-L543 VanDerWaalsContact C-N 3.27Å; E541-L543 PolarHBondContact O-N 3.03Å; E541-K544 WeakPolarHBondContact O-CB 3.31Å; E541-K544 PolarHBondContact O-N 3.22Å; E541-K544 VanDerWaalsContact O-N 3.15Å; E541-M545 WeakPolarHBondContact O-CB 3.35Å; E541-M545 WeakPolarHBondContact O-CG 3.06Å; E541-M545 PolarHBondContact O-N 3.15Å
542	R	63	Low	61.8	Low	113 Å²	113	64.6 Å²	64.6	43%	0.426	34%	0.336	S	S	.	.	H	α-helix	trans	-58.8	-36.9	180	-172.1	-171.2	-176.5	-149.5	8.7	112.6	E538 E539 Q546	E538-R542 PolarHBondContact O-N 3.35Å; E539-R542 HydrophobicContact CG-CB 4.28Å; E539-R542 CarbonylContact O-C 3.56Å; E539-R542 PolarHBondContact O-N 2.58Å; E539-R542 VanDerWaalsContact O-N 3.07Å; E539-R542 WeakPolarHBondContact OE1-CD 3.28Å; E539-R542 IonicContact OE1-CZ 3.74Å; E539-R542 IonicContact OE1-NE 3.85Å; E539-R542 IonicContact OE1-NH1 3.86Å; E539-R542 PolarHBondContact OE1-NH1 2.8Å; R542-Q546 WeakPolarHBondContact O-CG 3.43Å; R542-Q546 PolarHBondContact O-N 3.48Å
543	L	60.1	Low	59.9	Low	16 Å²	16	69.6 Å²	69.6	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-71.9	-41.3	176.2	-72.7	170.6	0	0	0	111.2	E539 E541 Q546 N547 L552	E539-L543 HydrophobicContact CG-CD1 3.97Å; E539-L543 HydrophobicContact CG-CG 3.91Å; E539-L543 WeakPolarHBondContact O-CB 3.41Å; E539-L543 WeakPolarHBondContact O-CG 3.45Å; E539-L543 PolarHBondContact O-N 1.85Å; E541-L543 VanDerWaalsContact C-N 3.27Å; E541-L543 PolarHBondContact O-N 3.03Å; L543-Q546 PolarHBondContact O-N 3.01Å; L543-N547 WeakPolarHBondContact O-CB 3.38Å; L543-N547 PolarHBondContact O-N 2.95Å; L543-N547 VanDerWaalsContact O-N 3.11Å; L543-N547 PolarHBondContact O-ND2 3.24Å; L543-L552 HydrophobicContact CB-CD1 4.4Å
544	K	59.7	Low	58.4	Low	70 Å²	70	70.8 Å²	70.8	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-59.5	-46.1	171	-67.4	157.3	-159.9	161.9	0	111	D540 E541 N547 S548 G549	D540-K544 WeakPolarHBondContact O-CD 3.24Å; D540-K544 VanDerWaalsContact O-CE 3.25Å; D540-K544 WeakPolarHBondContact O-CE 3.49Å; D540-K544 WeakPolarHBondContact O-CG 3.41Å; D540-K544 PolarHBondContact O-N 2.93Å; D540-K544 VanDerWaalsContact O-N 3.14Å; D540-K544 WeakPolarHBondContact OD2-CE 3.32Å; D540-K544 IonicContact OD2-NZ 3.78Å; D540-K544 PolarHBondContact OD2-NZ 3.2Å; E541-K544 WeakPolarHBondContact O-CB 3.31Å; E541-K544 PolarHBondContact O-N 3.22Å; E541-K544 VanDerWaalsContact O-N 3.15Å; K544-N547 CarbonylContact O-C 3.24Å; K544-N547 PolarHBondContact O-N 2.61Å; K544-S548 PolarHBondContact O-N 3.48Å; K544-G549 WeakPolarHBondContact O-CA 3.32Å; K544-G549 PolarHBondContact O-N 2.97Å
545	M	56.6	Low	56.7	Low	146 Å²	146	77.2 Å²	77.2	72%	0.719	40%	0.399	S	S	*	.	H	α-helix	trans	-57.2	-51.4	175.9	-71.7	-87.9	-168.3	0	0	112.4	E541 N547 S548	E541-M545 WeakPolarHBondContact O-CB 3.35Å; E541-M545 WeakPolarHBondContact O-CG 3.06Å; E541-M545 PolarHBondContact O-N 3.15Å; M545-N547 PolarHBondContact O-N 3.43Å; M545-S548 PolarHBondContact O-N 3.27Å; M545-S548 VanDerWaalsContact O-N 3.14Å
546	Q	58.1	Low	55.1	Low	125 Å²	125	79.8 Å²	79.8	58%	0.584	42%	0.417	S	S	*	.	H	α-helix	trans	-65.7	-23.2	179.7	-73.9	-175.1	19.5	0	0	113.4	R542 L543	R542-Q546 WeakPolarHBondContact O-CG 3.43Å; R542-Q546 PolarHBondContact O-N 3.48Å; L543-Q546 PolarHBondContact O-N 3.01Å
547	N	52.8	Low	53.5	Low	13 Å²	13	83.2 Å²	83.2	7%	0.07	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	25.9	175.4	-68.7	-84.3	0	0	0	112.9	R220 L543 K544 M545 G549 Q550	R220-N547 PolarHBondContact NH2-OD1 2.8Å; L543-N547 WeakPolarHBondContact O-CB 3.38Å; L543-N547 PolarHBondContact O-N 2.95Å; L543-N547 VanDerWaalsContact O-N 3.11Å; L543-N547 PolarHBondContact O-ND2 3.24Å; K544-N547 CarbonylContact O-C 3.24Å; K544-N547 PolarHBondContact O-N 2.61Å; M545-N547 PolarHBondContact O-N 3.43Å; N547-G549 VanDerWaalsContact C-N 3.29Å; N547-G549 PolarHBondContact O-N 2.75Å; N547-Q550 WeakPolarHBondContact O-CB 3.13Å; N547-Q550 PolarHBondContact O-N 2.99Å
548	S	48.3	Very low	52.2	Low	115 Å²	115	86 Å²	86	80%	0.804	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	33.4	174.9	-49.8	0	0	0	0	114.2	K544 M545 Q550	K544-S548 PolarHBondContact O-N 3.48Å; M545-S548 PolarHBondContact O-N 3.27Å; M545-S548 VanDerWaalsContact O-N 3.14Å; S548-Q550 PolarHBondContact O-N 2.99Å
549	G	46	Very low	51.3	Low	59 Å²	59	83.7 Å²	83.7	61%	0.608	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-0.2	-176.4	0	0	0	0	0	114.1	K544 N547 N551	K544-G549 WeakPolarHBondContact O-CA 3.32Å; K544-G549 PolarHBondContact O-N 2.97Å; N547-G549 VanDerWaalsContact C-N 3.29Å; N547-G549 PolarHBondContact O-N 2.75Å; G549-N551 PolarHBondContact O-N 3.14Å
550	Q	42	Very low	50.7	Low	131 Å²	131	85.1 Å²	85.1	61%	0.612	44%	0.436	S	S	*	.			trans	-75.6	118.4	170.2	-60.6	-172.6	-14	0	0	108.8	N547 S548 L552	N547-Q550 WeakPolarHBondContact O-CB 3.13Å; N547-Q550 PolarHBondContact O-N 2.99Å; S548-Q550 PolarHBondContact O-N 2.99Å; Q550-L552 PolarHBondContact O-N 2.75Å
551	N	44.5	Very low	50.4	Low	108 Å²	108	85.3 Å²	85.3	58%	0.578	44%	0.437	S	S	*	.			trans	-50.9	129.9	165.2	-76.3	-23.6	0	0	0	108.8	G549 V553	G549-N551 PolarHBondContact O-N 3.14Å; N551-V553 HydrophobicContact CB-CG2 3.62Å; N551-V553 PolarHBondContact O-N 3.28Å
552	L	46.7	Very low	50.2	Low	25 Å²	25	83.9 Å²	83.9	13%	0.131	43%	0.433	C	S	.	.			trans	-72.2	61.8	165.7	-75.1	172.4	0	0	0	108.7	R220 Y529 L543 Q550 P554	R220-L552 HydrophobicContact CG-CD2 4.31Å; Y529-L552 HydrophobicContact CE2-CB 4.04Å; Y529-L552 WeakPolarHBondContact CE2-O 3.11Å; Y529-L552 PolarHBondContact OH-O 2.76Å; Y529-L552 VanDerWaalsContact OH-O 3.04Å; L543-L552 HydrophobicContact CB-CD1 4.4Å; Q550-L552 PolarHBondContact O-N 2.75Å; L552-P554 WeakPolarHBondContact O-CD 3.1Å
553	V	41.9	Very low	49.8	Very low	110 Å²	110	81.9 Å²	81.9	67%	0.667	43%	0.431	S	S	*	.			trans	-56.9	109.5	-175	-179.1	0	0	0	0	108.5	N551	N551-V553 HydrophobicContact CB-CG2 3.62Å; N551-V553 PolarHBondContact O-N 3.28Å
554	P	48.2	Very low	49.5	Very low	25 Å²	25	82.3 Å²	82.3	16%	0.162	43%	0.433	C	S	.	.			trans	-72.2	142.4	173	-12.8	31.4	0	0	0	107	S527 Y529 L552 S556	S527-P554 VanDerWaalsContact OG-CD 3.31Å; S527-P554 WeakPolarHBondContact OG-CD 3.35Å; S527-P554 WeakPolarHBondContact OG-CG 3.49Å; Y529-P554 HydrophobicContact CD1-CB 4.37Å; Y529-P554 HydrophobicContact CD2-CG 4.26Å; Y529-P554 HydrophobicContact CE1-CB 3.84Å; Y529-P554 HydrophobicContact CE1-CG 4.12Å; Y529-P554 HydrophobicContact CE2-CB 4.43Å; Y529-P554 HydrophobicContact CE2-CG 3.8Å; L552-P554 WeakPolarHBondContact O-CD 3.1Å; P554-S556 PolarHBondContact O-N 2.83Å
555	R	44.5	Very low	49.5	Very low	136 Å²	136	82.8 Å²	82.8	51%	0.513	44%	0.442	S	S	.	.			trans	-57.3	111.7	147.7	-81.2	-172.8	175.6	-151.7	-7	105.5	F559 I560 D563	R555-F559 HydrophobicContact CB-CB 3.89Å; R555-F559 HydrophobicContact CG-CB 4.29Å; R555-I560 HydrophobicContact CB-CG1 4.23Å; R555-D563 IonicContact CZ-OD2 2.65Å; R555-D563 VanDerWaalsContact NH1-CG 3.3Å; R555-D563 IonicContact NH1-OD1 2.7Å; R555-D563 PolarHBondContact NH1-OD1 3.45Å; R555-D563 VanDerWaalsContact NH1-OD1 3.16Å; R555-D563 IonicContact NH1-OD2 3.8Å; R555-D563 PolarHBondContact NH1-OD2 3.38Å
556	S	45.3	Very low	49.9	Very low	58 Å²	58	80.2 Å²	80.2	41%	0.406	43%	0.429	S	S	.	.			trans	-42.7	146.9	174.3	160.9	0	0	0	0	109.6	P554 M558 F559 I560	P554-S556 PolarHBondContact O-N 2.83Å; S556-M558 CarbonylContact O-C 3.53Å; S556-M558 PolarHBondContact O-N 2.68Å; S556-M558 PolarHBondContact OG-N 2.98Å; S556-F559 WeakPolarHBondContact O-CA 3.43Å; S556-F559 WeakPolarHBondContact O-CB 3.43Å; S556-F559 PolarHBondContact O-N 3.3Å; S556-I560 PolarHBondContact O-N 3.1Å
557	W	47.2	Very low	50	Low	79 Å²	79	79.3 Å²	79.3	30%	0.299	43%	0.428	S	S	.	.	H	α-helix	trans	-53	-27.5	-178.1	-173.1	92.3	0	0	0	112.4	W250 L519 I560 N561	W250-W557 AromaticContact CD2-CZ2 3.89Å; W250-W557 HydrophobicContact CD2-CZ2 3.89Å; W250-W557 AromaticContact CE2-CZ2 3.64Å; W250-W557 HydrophobicContact CE3-CZ2 4.12Å; W250-W557 AromaticContact CH2-CZ2 3.99Å; W250-W557 HydrophobicContact CH2-CZ2 3.99Å; W250-W557 AromaticContact CZ2-CZ2 3.73Å; W250-W557 HydrophobicContact CZ2-CZ2 3.73Å; W250-W557 HydrophobicContact CZ3-CH2 4.49Å; W250-W557 HydrophobicContact CZ3-CZ2 4.16Å; W250-W557 AromaticContact NE1-NE1 3.75Å; L519-W557 HydrophobicContact CD1-CH2 3.28Å; L519-W557 HydrophobicContact CD1-CZ2 3.32Å; L519-W557 HydrophobicContact CD1-CZ3 3.92Å; W557-I560 PolarHBondContact O-N 2.84Å; W557-N561 VanDerWaalsContact CE3-ND2 3.34Å; W557-N561 WeakPolarHBondContact CH2-ND2 3.46Å; W557-N561 WeakPolarHBondContact CZ2-ND2 3.43Å; W557-N561 WeakPolarHBondContact CZ3-ND2 3.43Å; W557-N561 PolarHBondContact O-N 3.13Å; W557-N561 PolarHBondContact O-ND2 3.13Å
558	M	43.9	Very low	50.6	Low	147 Å²	147	81 Å²	81	72%	0.724	44%	0.444	S	S	*	.	H	α-helix	trans	-57	-46.4	166.9	-75.6	-170.4	174.7	0	0	114	S556 N561 L562	S556-M558 CarbonylContact O-C 3.53Å; S556-M558 PolarHBondContact O-N 2.68Å; S556-M558 PolarHBondContact OG-N 2.98Å; M558-N561 CarbonylContact O-C 3.41Å; M558-N561 PolarHBondContact O-N 3.46Å; M558-L562 VanDerWaalsContact O-CB 3.32Å; M558-L562 WeakPolarHBondContact O-CB 3.48Å; M558-L562 PolarHBondContact O-N 2.88Å
559	F	46.8	Very low	51.5	Low	116 Å²	116	80.4 Å²	80.4	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-69.4	-36.3	178.2	-72.9	-70.1	0	0	0	112.5	R555 S556 N561 L562 D563	R555-F559 HydrophobicContact CB-CB 3.89Å; R555-F559 HydrophobicContact CG-CB 4.29Å; S556-F559 WeakPolarHBondContact O-CA 3.43Å; S556-F559 WeakPolarHBondContact O-CB 3.43Å; S556-F559 PolarHBondContact O-N 3.3Å; F559-N561 VanDerWaalsContact C-N 3.29Å; F559-N561 PolarHBondContact O-N 2.96Å; F559-L562 PolarHBondContact O-N 2.92Å; F559-D563 WeakPolarHBondContact O-CB 3.43Å; F559-D563 VanDerWaalsContact O-CG 3.28Å; F559-D563 PolarHBondContact O-N 2.78Å
560	I	50.1	Low	52.8	Low	38 Å²	38	81.9 Å²	81.9	20%	0.195	42%	0.424	C	S	.	.	H	α-helix	trans	-63.4	-41.4	173.9	-58.6	-178.1	0	0	0	109.5	P222 R555 S556 W557 L564	P222-I560 HydrophobicContact CG-CD1 4.19Å; R555-I560 HydrophobicContact CB-CG1 4.23Å; S556-I560 PolarHBondContact O-N 3.1Å; W557-I560 PolarHBondContact O-N 2.84Å; I560-L564 HydrophobicContact CG2-CD1 3.97Å; I560-L564 HydrophobicContact CG2-CG 4.49Å; I560-L564 VanDerWaalsContact O-CB 3.28Å; I560-L564 WeakPolarHBondContact O-CB 3.08Å; I560-L564 WeakPolarHBondContact O-CD1 3.41Å; I560-L564 WeakPolarHBondContact O-CG 3.49Å; I560-L564 PolarHBondContact O-N 3.42Å
561	N	52.9	Low	54.3	Low	34 Å²	34	77.1 Å²	77.1	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-68.9	-35.7	172.8	-81.4	-92	0	0	0	113	W557 M558 F559 L564 T565	W557-N561 VanDerWaalsContact CE3-ND2 3.34Å; W557-N561 WeakPolarHBondContact CH2-ND2 3.46Å; W557-N561 WeakPolarHBondContact CZ2-ND2 3.43Å; W557-N561 WeakPolarHBondContact CZ3-ND2 3.43Å; W557-N561 PolarHBondContact O-N 3.13Å; W557-N561 PolarHBondContact O-ND2 3.13Å; M558-N561 CarbonylContact O-C 3.41Å; M558-N561 PolarHBondContact O-N 3.46Å; F559-N561 VanDerWaalsContact C-N 3.29Å; F559-N561 PolarHBondContact O-N 2.96Å; N561-L564 PolarHBondContact O-N 2.81Å; N561-T565 VanDerWaalsContact O-CB 3.26Å; N561-T565 WeakPolarHBondContact O-CB 3.46Å; N561-T565 VanDerWaalsContact O-CG2 3.27Å; N561-T565 WeakPolarHBondContact O-CG2 3.4Å; N561-T565 PolarHBondContact O-N 3.48Å; N561-T565 PolarHBondContact O-OG1 3.14Å
562	L	56.7	Low	55.7	Low	98 Å²	98	80.9 Å²	80.9	51%	0.513	42%	0.417	S	S	.	.	H	α-helix	trans	-67.8	-45.8	178.1	-162.9	71.8	0	0	0	110.4	M558 F559 L564 T565 M566	M558-L562 VanDerWaalsContact O-CB 3.32Å; M558-L562 WeakPolarHBondContact O-CB 3.48Å; M558-L562 PolarHBondContact O-N 2.88Å; F559-L562 PolarHBondContact O-N 2.92Å; L562-L564 PolarHBondContact O-N 2.84Å; L562-T565 PolarHBondContact O-OG1 3.21Å; L562-M566 HydrophobicContact CG-CG 4.37Å; L562-M566 WeakPolarHBondContact O-CB 3.46Å; L562-M566 WeakPolarHBondContact O-CG 3.34Å; L562-M566 PolarHBondContact O-N 2.89Å
563	D	53.8	Low	56.9	Low	71 Å²	71	83.2 Å²	83.2	38%	0.38	43%	0.433	S	S	.	.	H	α-helix	trans	-58.4	-47.3	172.4	-69.3	-36.8	0	0	0	110.5	R555 F559 D567	R555-D563 IonicContact CZ-OD2 2.65Å; R555-D563 VanDerWaalsContact NH1-CG 3.3Å; R555-D563 IonicContact NH1-OD1 2.7Å; R555-D563 PolarHBondContact NH1-OD1 3.45Å; R555-D563 VanDerWaalsContact NH1-OD1 3.16Å; R555-D563 IonicContact NH1-OD2 3.8Å; R555-D563 PolarHBondContact NH1-OD2 3.38Å; F559-D563 WeakPolarHBondContact O-CB 3.43Å; F559-D563 VanDerWaalsContact O-CG 3.28Å; F559-D563 PolarHBondContact O-N 2.78Å; D563-D567 VanDerWaalsContact O-CB 3.31Å; D563-D567 WeakPolarHBondContact O-CB 3.41Å; D563-D567 PolarHBondContact O-N 3.16Å
564	L	54.1	Low	58.5	Low	25 Å²	25	83.6 Å²	83.6	13%	0.131	43%	0.43	C	S	.	.	H	α-helix	trans	-66.5	-43.7	-179.8	-74.8	172.5	0	0	0	113.8	W250 R251 I560 N561 L562 A568	W250-L564 HydrophobicContact CB-CD1 4.48Å; R251-L564 VanDerWaalsContact NE-CD2 3.31Å; I560-L564 HydrophobicContact CG2-CD1 3.97Å; I560-L564 HydrophobicContact CG2-CG 4.49Å; I560-L564 VanDerWaalsContact O-CB 3.28Å; I560-L564 WeakPolarHBondContact O-CB 3.08Å; I560-L564 WeakPolarHBondContact O-CD1 3.41Å; I560-L564 WeakPolarHBondContact O-CG 3.49Å; I560-L564 PolarHBondContact O-N 3.42Å; N561-L564 PolarHBondContact O-N 2.81Å; L562-L564 PolarHBondContact O-N 2.84Å; L564-A568 WeakPolarHBondContact O-CB 3.3Å; L564-A568 PolarHBondContact O-N 3.47Å
565	T	59.3	Low	59.9	Low	80 Å²	80	87.6 Å²	87.6	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-73.7	-35.3	179.7	54.2	0	0	0	0	111.2	N561 L562 A568 L569	N561-T565 VanDerWaalsContact O-CB 3.26Å; N561-T565 WeakPolarHBondContact O-CB 3.46Å; N561-T565 VanDerWaalsContact O-CG2 3.27Å; N561-T565 WeakPolarHBondContact O-CG2 3.4Å; N561-T565 PolarHBondContact O-N 3.48Å; N561-T565 PolarHBondContact O-OG1 3.14Å; L562-T565 PolarHBondContact O-OG1 3.21Å; T565-A568 PolarHBondContact O-N 3.01Å; T565-L569 VanDerWaalsContact O-CB 3.22Å; T565-L569 WeakPolarHBondContact O-CB 3.37Å; T565-L569 PolarHBondContact O-N 3.49Å
566	M	64.9	Low	61.4	Low	92 Å²	92	83.1 Å²	83.1	45%	0.453	44%	0.442	S	S	.	.	H	α-helix	trans	-67.2	-43.6	170.8	-70.6	-66.2	-68.5	0	0	111.5	L562 A568 L569 L570	L562-M566 HydrophobicContact CG-CG 4.37Å; L562-M566 WeakPolarHBondContact O-CB 3.46Å; L562-M566 WeakPolarHBondContact O-CG 3.34Å; L562-M566 PolarHBondContact O-N 2.89Å; M566-A568 VanDerWaalsContact C-N 3.3Å; M566-A568 PolarHBondContact O-N 3Å; M566-L569 PolarHBondContact O-N 3.15Å; M566-L569 HydrophobicContact SD-CD2 4.47Å; M566-L570 VanDerWaalsContact O-CB 3.23Å; M566-L570 WeakPolarHBondContact O-CB 3.43Å; M566-L570 WeakPolarHBondContact O-CG 3.35Å; M566-L570 PolarHBondContact O-N 3Å
567	D	60.9	Low	62.8	Low	106 Å²	106	83.3 Å²	83.3	57%	0.567	44%	0.443	S	S	*	.	H	α-helix	trans	-57.6	-42.9	171.8	-96.6	-3	0	0	0	111.3	D563 G571	D563-D567 VanDerWaalsContact O-CB 3.31Å; D563-D567 WeakPolarHBondContact O-CB 3.41Å; D563-D567 PolarHBondContact O-N 3.16Å; D567-G571 PolarHBondContact O-N 3.39Å
568	A	65.1	Low	64.3	Low	48 Å²	48	87.5 Å²	87.5	40%	0.397	46%	0.459	S	S	.	.	H	α-helix	trans	-68	-38.9	177.4	0	0	0	0	0	112.6	L564 T565 M566 G571 R572	L564-A568 WeakPolarHBondContact O-CB 3.3Å; L564-A568 PolarHBondContact O-N 3.47Å; T565-A568 PolarHBondContact O-N 3.01Å; M566-A568 VanDerWaalsContact C-N 3.3Å; M566-A568 PolarHBondContact O-N 3Å; A568-G571 PolarHBondContact O-N 3.42Å; A568-R572 WeakPolarHBondContact O-CB 3.3Å; A568-R572 VanDerWaalsContact O-CG 3.25Å; A568-R572 WeakPolarHBondContact O-CG 3.4Å; A568-R572 PolarHBondContact O-N 3.11Å
569	L	67.7	Low	65.8	Low	103 Å²	103	86.4 Å²	86.4	54%	0.539	45%	0.452	S	S	.	.	H	α-helix	trans	-70.4	-41.1	177.4	-164.1	77.9	0	0	0	111.2	T565 M566 R572 T573	T565-L569 VanDerWaalsContact O-CB 3.22Å; T565-L569 WeakPolarHBondContact O-CB 3.37Å; T565-L569 PolarHBondContact O-N 3.49Å; M566-L569 PolarHBondContact O-N 3.15Å; M566-L569 HydrophobicContact SD-CD2 4.47Å; L569-R572 PolarHBondContact O-N 3.2Å; L569-T573 WeakPolarHBondContact O-CB 3.22Å; L569-T573 WeakPolarHBondContact O-CG2 3.46Å; L569-T573 PolarHBondContact O-N 3.01Å; L569-T573 PolarHBondContact O-OG1 3.39Å
570	L	72.1	Confident	67.1	Low	89 Å²	89	85.7 Å²	85.7	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-63.5	-43.9	172.3	-71.6	168.4	0	0	0	110.7	M566 R572 T573 L574	M566-L570 VanDerWaalsContact O-CB 3.23Å; M566-L570 WeakPolarHBondContact O-CB 3.43Å; M566-L570 WeakPolarHBondContact O-CG 3.35Å; M566-L570 PolarHBondContact O-N 3Å; L570-R572 PolarHBondContact O-N 2.73Å; L570-T573 WeakPolarHBondContact CA-OG1 3.37Å; L570-T573 PolarHBondContact O-N 3.01Å; L570-T573 PolarHBondContact O-OG1 3.49Å; L570-T573 VanDerWaalsContact O-OG1 3.14Å; L570-L574 VanDerWaalsContact O-CB 3.26Å; L570-L574 WeakPolarHBondContact O-CB 3.25Å; L570-L574 WeakPolarHBondContact O-CG 3.48Å; L570-L574 PolarHBondContact O-N 3.08Å
571	G	74.1	Confident	68.4	Low	32 Å²	32	91.5 Å²	91.5	33%	0.33	48%	0.477	S	S	.	.	H	α-helix	trans	-59.4	-45.6	172.9	0	0	0	0	0	113	D567 A568 L575	D567-G571 PolarHBondContact O-N 3.39Å; A568-G571 PolarHBondContact O-N 3.42Å; G571-L575 WeakPolarHBondContact O-CB 3.18Å; G571-L575 WeakPolarHBondContact O-CG 3.34Å; G571-L575 PolarHBondContact O-N 3.18Å
572	R	73.8	Confident	69.6	Low	187 Å²	187	95.4 Å²	95.4	71%	0.706	49%	0.494	S	S	*	.	H	α-helix	trans	-66.4	-40.7	177.1	-74	174.8	-174.1	-160.8	4.1	112.5	A568 L569 L570 L575 A576	A568-R572 WeakPolarHBondContact O-CB 3.3Å; A568-R572 VanDerWaalsContact O-CG 3.25Å; A568-R572 WeakPolarHBondContact O-CG 3.4Å; A568-R572 PolarHBondContact O-N 3.11Å; L569-R572 PolarHBondContact O-N 3.2Å; L570-R572 PolarHBondContact O-N 2.73Å; R572-L575 PolarHBondContact O-N 2.91Å; R572-A576 WeakPolarHBondContact O-CB 3.46Å; R572-A576 PolarHBondContact O-N 2.66Å
573	T	71.9	Confident	70.4	Confident	74 Å²	74	95.8 Å²	95.8	45%	0.454	50%	0.496	S	S	.	.	H	α-helix	trans	-73.7	-31.8	177.9	49.8	0	0	0	0	113	L569 L570 A576 S577	L569-T573 WeakPolarHBondContact O-CB 3.22Å; L569-T573 WeakPolarHBondContact O-CG2 3.46Å; L569-T573 PolarHBondContact O-N 3.01Å; L569-T573 PolarHBondContact O-OG1 3.39Å; L570-T573 WeakPolarHBondContact CA-OG1 3.37Å; L570-T573 PolarHBondContact O-N 3.01Å; L570-T573 PolarHBondContact O-OG1 3.49Å; L570-T573 VanDerWaalsContact O-OG1 3.14Å; T573-A576 PolarHBondContact O-N 2.85Å; T573-S577 VanDerWaalsContact O-CB 3.3Å; T573-S577 WeakPolarHBondContact O-CB 3.29Å; T573-S577 PolarHBondContact O-N 3.15Å; T573-S577 PolarHBondContact O-OG 2.88Å
574	L	76	Confident	71.3	Confident	117 Å²	117	97.7 Å²	97.7	61%	0.613	51%	0.505	S	S	*	.	H	α-helix	trans	-67.3	-38.5	169.3	-74	169.5	0	0	0	112.1	L570 S577 R578	L570-L574 VanDerWaalsContact O-CB 3.26Å; L570-L574 WeakPolarHBondContact O-CB 3.25Å; L570-L574 WeakPolarHBondContact O-CG 3.48Å; L570-L574 PolarHBondContact O-N 3.08Å; L574-S577 WeakPolarHBondContact CA-OG 3.35Å; L574-S577 PolarHBondContact O-OG 3.25Å; L574-S577 VanDerWaalsContact O-OG 3.14Å; L574-R578 VanDerWaalsContact O-CB 3.29Å; L574-R578 WeakPolarHBondContact O-CB 3.4Å; L574-R578 PolarHBondContact O-N 2.87Å
575	L	77.3	Confident	71.9	Confident	109 Å²	109	98.4 Å²	98.4	57%	0.571	52%	0.518	S	S	*	.	H	α-helix	trans	-64.9	-46.8	171.4	-78.8	164.8	0	0	0	111.9	G571 R572 R578 Q579	G571-L575 WeakPolarHBondContact O-CB 3.18Å; G571-L575 WeakPolarHBondContact O-CG 3.34Å; G571-L575 PolarHBondContact O-N 3.18Å; R572-L575 PolarHBondContact O-N 2.91Å; L575-R578 PolarHBondContact O-N 3.15Å; L575-Q579 WeakPolarHBondContact O-CG 3.45Å; L575-Q579 PolarHBondContact O-N 3.41Å
576	A	76.1	Confident	71.9	Confident	43 Å²	43	96.9 Å²	96.9	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-42	179.4	0	0	0	0	0	112.7	R572 T573 Q579 L580	R572-A576 WeakPolarHBondContact O-CB 3.46Å; R572-A576 PolarHBondContact O-N 2.66Å; T573-A576 PolarHBondContact O-N 2.85Å; A576-Q579 PolarHBondContact O-N 2.79Å; A576-L580 WeakPolarHBondContact O-CB 3.3Å; A576-L580 PolarHBondContact O-N 2.94Å
577	S	74.8	Confident	71.4	Confident	61 Å²	61	97 Å²	97	43%	0.427	52%	0.517	S	S	.	.	H	α-helix	trans	-67.1	-35.9	175.8	55.7	0	0	0	0	112.3	T573 L574 L580 F581	T573-S577 VanDerWaalsContact O-CB 3.3Å; T573-S577 WeakPolarHBondContact O-CB 3.29Å; T573-S577 PolarHBondContact O-N 3.15Å; T573-S577 PolarHBondContact O-OG 2.88Å; L574-S577 WeakPolarHBondContact CA-OG 3.35Å; L574-S577 PolarHBondContact O-OG 3.25Å; L574-S577 VanDerWaalsContact O-OG 3.14Å; S577-L580 PolarHBondContact O-N 3.04Å; S577-F581 WeakPolarHBondContact O-CB 3.44Å; S577-F581 PolarHBondContact O-N 2.61Å
578	R	77.2	Confident	71	Confident	167 Å²	167	95.5 Å²	95.5	63%	0.63	51%	0.514	S	S	*	.	H	α-helix	trans	-64.7	-44	171	-177.2	175	177.2	159.2	1.9	112.3	L574 L575 L580 F581 E582	L574-R578 VanDerWaalsContact O-CB 3.29Å; L574-R578 WeakPolarHBondContact O-CB 3.4Å; L574-R578 PolarHBondContact O-N 2.87Å; L575-R578 PolarHBondContact O-N 3.15Å; R578-L580 VanDerWaalsContact C-N 3.34Å; R578-L580 PolarHBondContact O-N 2.9Å; R578-F581 PolarHBondContact O-N 3.34Å; R578-F581 VanDerWaalsContact O-N 3.16Å; R578-E582 IonicContact CZ-OE1 2.7Å; R578-E582 IonicContact NE-OE1 2.67Å; R578-E582 PolarHBondContact NE-OE1 3.26Å; R578-E582 IonicContact NH2-OE1 3.59Å; R578-E582 PolarHBondContact O-N 3.13Å
579	Q	77	Confident	70.3	Confident	124 Å²	124	96.6 Å²	96.6	58%	0.579	52%	0.519	S	S	*	.	H	α-helix	trans	-61.1	-42.2	174.6	-74.8	174.8	-17.2	0	0	111.8	L575 A576 E582 L583	L575-Q579 WeakPolarHBondContact O-CG 3.45Å; L575-Q579 PolarHBondContact O-N 3.41Å; A576-Q579 PolarHBondContact O-N 2.79Å; Q579-E582 PolarHBondContact O-N 3.04Å; Q579-L583 WeakPolarHBondContact O-CB 3.49Å; Q579-L583 PolarHBondContact O-N 2.91Å
580	L	74.3	Confident	69.6	Low	101 Å²	101	100.7 Å²	100.7	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-41.4	172	-81.6	166.3	0	0	0	112.1	A576 S577 R578 L583 I584	A576-L580 WeakPolarHBondContact O-CB 3.3Å; A576-L580 PolarHBondContact O-N 2.94Å; S577-L580 PolarHBondContact O-N 3.04Å; R578-L580 VanDerWaalsContact C-N 3.34Å; R578-L580 PolarHBondContact O-N 2.9Å; L580-L583 PolarHBondContact O-N 3.13Å; L580-I584 WeakPolarHBondContact O-CB 3.36Å; L580-I584 WeakPolarHBondContact O-CD1 3.35Å; L580-I584 VanDerWaalsContact O-CG1 3.22Å; L580-I584 WeakPolarHBondContact O-CG1 3.18Å; L580-I584 PolarHBondContact O-N 3.1Å
581	F	76	Confident	68.4	Low	160 Å²	160	98.5 Å²	98.5	70%	0.702	53%	0.526	S	S	*	.	H	α-helix	trans	-66.7	-40.6	178.6	-159.9	-87.8	0	0	0	112.3	S577 R578 I584 G585	S577-F581 WeakPolarHBondContact O-CB 3.44Å; S577-F581 PolarHBondContact O-N 2.61Å; R578-F581 PolarHBondContact O-N 3.34Å; R578-F581 VanDerWaalsContact O-N 3.16Å; F581-I584 PolarHBondContact O-N 3.07Å; F581-G585 PolarHBondContact O-N 2.94Å
582	E	77.9	Confident	67.3	Low	116 Å²	116	104.8 Å²	104.8	54%	0.542	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-39.4	174.7	-70.7	176.6	-159.9	0	0	111.3	R578 Q579 S586	R578-E582 IonicContact CZ-OE1 2.7Å; R578-E582 IonicContact NE-OE1 2.67Å; R578-E582 PolarHBondContact NE-OE1 3.26Å; R578-E582 IonicContact NH2-OE1 3.59Å; R578-E582 PolarHBondContact O-N 3.13Å; Q579-E582 PolarHBondContact O-N 3.04Å; E582-S586 WeakPolarHBondContact O-CB 3.32Å; E582-S586 PolarHBondContact O-N 3.32Å
583	L	73.3	Confident	66.1	Low	106 Å²	106	104.2 Å²	104.2	56%	0.555	55%	0.547	S	S	*	.	H	α-helix	trans	-60.1	-53.6	171	-89	159.7	0	0	0	112.1	Q579 L580 G585 S586 V587	Q579-L583 WeakPolarHBondContact O-CB 3.49Å; Q579-L583 PolarHBondContact O-N 2.91Å; L580-L583 PolarHBondContact O-N 3.13Å; L583-G585 PolarHBondContact O-N 3.43Å; L583-S586 WeakPolarHBondContact O-CB 3.32Å; L583-S586 PolarHBondContact O-N 2.64Å; L583-S586 PolarHBondContact O-OG 2.92Å; L583-V587 WeakPolarHBondContact O-CG2 3.43Å; L583-V587 PolarHBondContact O-N 3.1Å
584	I	72.6	Confident	65	Low	112 Å²	112	110.7 Å²	110.7	57%	0.574	56%	0.563	S	S	*	*	H	α-helix	trans	-63.4	-40.6	-179.2	-68.4	164.4	0	0	0	111	L580 F581 S586 V587 S588	L580-I584 WeakPolarHBondContact O-CB 3.36Å; L580-I584 WeakPolarHBondContact O-CD1 3.35Å; L580-I584 VanDerWaalsContact O-CG1 3.22Å; L580-I584 WeakPolarHBondContact O-CG1 3.18Å; L580-I584 PolarHBondContact O-N 3.1Å; F581-I584 PolarHBondContact O-N 3.07Å; I584-S586 PolarHBondContact O-N 3.32Å; I584-V587 PolarHBondContact O-N 2.93Å; I584-S588 PolarHBondContact O-N 2.81Å
585	G	67.3	Low	63.8	Low	39 Å²	39	108.1 Å²	108.1	40%	0.402	56%	0.559	S	S	.	*	H	α-helix	trans	-59.9	-43.7	172.9	0	0	0	0	0	112.5	F581 L583 V587 S588 S589	F581-G585 PolarHBondContact O-N 2.94Å; L583-G585 PolarHBondContact O-N 3.43Å; G585-V587 PolarHBondContact O-N 2.85Å; G585-S588 PolarHBondContact O-N 2.96Å; G585-S589 PolarHBondContact O-N 3.04Å; G585-S589 VanDerWaalsContact O-N 3.08Å
586	S	59.4	Low	62.5	Low	48 Å²	48	110 Å²	110	34%	0.336	57%	0.569	S	S	.	*	H	α-helix	trans	-62.8	-40.6	175.3	84.9	0	0	0	0	112.2	E582 L583 I584 S589 R590	E582-S586 WeakPolarHBondContact O-CB 3.32Å; E582-S586 PolarHBondContact O-N 3.32Å; L583-S586 WeakPolarHBondContact O-CB 3.32Å; L583-S586 PolarHBondContact O-N 2.64Å; L583-S586 PolarHBondContact O-OG 2.92Å; I584-S586 PolarHBondContact O-N 3.32Å; S586-S589 PolarHBondContact O-N 2.76Å; S586-S589 PolarHBondContact O-OG 2.89Å; S586-R590 PolarHBondContact O-N 2.86Å
587	V	54.7	Low	61.2	Low	95 Å²	95	113.3 Å²	113.3	58%	0.576	59%	0.585	S	S	*	*	H	α-helix	trans	-65.4	-42.8	177	171.1	0	0	0	0	111.1	L583 I584 G585 S589 R590 G591	L583-V587 WeakPolarHBondContact O-CG2 3.43Å; L583-V587 PolarHBondContact O-N 3.1Å; I584-V587 PolarHBondContact O-N 2.93Å; G585-V587 PolarHBondContact O-N 2.85Å; V587-S589 VanDerWaalsContact C-N 3.32Å; V587-S589 PolarHBondContact O-N 3.47Å; V587-R590 PolarHBondContact O-N 2.82Å; V587-R590 VanDerWaalsContact O-N 3.13Å; V587-G591 PolarHBondContact O-N 2.93Å
588	S	51.7	Low	60	Low	74 Å²	74	115.6 Å²	115.6	52%	0.517	60%	0.601	S	S	.	*	H	α-helix	trans	-58.5	-41.9	174.7	-173.1	0	0	0	0	112.1	I584 G585 R590 G591 K592	I584-S588 PolarHBondContact O-N 2.81Å; G585-S588 PolarHBondContact O-N 2.96Å; S588-R590 PolarHBondContact O-N 2.87Å; S588-G591 PolarHBondContact O-N 2.86Å; S588-K592 PolarHBondContact O-N 3.48Å
589	S	52.3	Low	58.7	Low	71 Å²	71	115 Å²	115	50%	0.497	61%	0.611	S	S	.	*	H	α-helix	trans	-65.8	-36	175.1	82.3	0	0	0	0	113.4	G585 S586 V587	G585-S589 PolarHBondContact O-N 3.04Å; G585-S589 VanDerWaalsContact O-N 3.08Å; S586-S589 PolarHBondContact O-N 2.76Å; S586-S589 PolarHBondContact O-OG 2.89Å; V587-S589 VanDerWaalsContact C-N 3.32Å; V587-S589 PolarHBondContact O-N 3.47Å
590	R	51.7	Low	57.2	Low	189 Å²	189	116 Å²	116	71%	0.713	62%	0.62	S	S	*	*	H	α-helix	trans	-74.5	-35.4	177.5	-79.1	179.7	165.7	175.8	-3.7	112.3	S586 V587 S588 K593 R594	S586-R590 PolarHBondContact O-N 2.86Å; V587-R590 PolarHBondContact O-N 2.82Å; V587-R590 VanDerWaalsContact O-N 3.13Å; S588-R590 PolarHBondContact O-N 2.87Å; R590-K593 PolarHBondContact O-N 3.45Å; R590-R594 PolarHBondContact O-N 2.67Å
591	G	48.2	Very low	55.9	Low	43 Å²	43	118.3 Å²	118.3	44%	0.443	63%	0.633	S	S	.	*	H	α-helix	trans	-59	-51.8	175.5	0	0	0	0	0	112.1	V587 S588 K593 R594 A595	V587-G591 PolarHBondContact O-N 2.93Å; S588-G591 PolarHBondContact O-N 2.86Å; G591-K593 VanDerWaalsContact C-N 3.26Å; G591-K593 PolarHBondContact O-N 3.37Å; G591-R594 PolarHBondContact O-N 3Å; G591-A595 PolarHBondContact O-N 3.31Å
592	K	49.9	Very low	54.4	Low	164 Å²	164	117.1 Å²	117.1	71%	0.713	63%	0.634	S	S	*	*	H	α-helix	trans	-62	-29.1	178.2	-74.9	-175.4	173.8	-179.4	0	113.7	S588	S588-K592 PolarHBondContact O-N 3.48Å
593	K	49	Very low	52.9	Low	175 Å²	175	119.3 Å²	119.3	76%	0.761	65%	0.65	S	S	*	*	H	α-helix	trans	-76.4	-18.9	173.9	-78.9	-168.1	173.5	-174.3	0	114.8	R590 G591	R590-K593 PolarHBondContact O-N 3.45Å; G591-K593 VanDerWaalsContact C-N 3.26Å; G591-K593 PolarHBondContact O-N 3.37Å
594	R	47.8	Very low	51.5	Low	211 Å²	211	121.1 Å²	121.1	80%	0.796	66%	0.66	S	S	*	*	H	α-helix	trans	-86.7	-27.6	172.4	-93.2	-174.8	167.2	179.1	-4.6	113.6	R590 G591 T597	R590-R594 PolarHBondContact O-N 2.67Å; G591-R594 PolarHBondContact O-N 3Å; R594-T597 PolarHBondContact O-OG1 3.08Å
595	A	50.7	Low	50	Low	63 Å²	63	121.2 Å²	121.2	52%	0.521	67%	0.67	S	S	.	*	H	α-helix	trans	-63.3	-44.5	177.6	0	0	0	0	0	112.5	G591 T597 S598	G591-A595 PolarHBondContact O-N 3.31Å; A595-T597 VanDerWaalsContact C-N 3.29Å; A595-T597 PolarHBondContact O-N 3.16Å; A595-S598 PolarHBondContact O-N 3.05Å
596	N	51.4	Low	48.3	Very low	147 Å²	147	129.6 Å²	129.6	79%	0.786	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-6.4	-173	-77	26.1	0	0	0	115.5
597	T	48.9	Very low	47.8	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.693	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-2.1	177.3	42.6	0	0	0	0	114.2	R594 A595 N599	R594-T597 PolarHBondContact O-OG1 3.08Å; A595-T597 VanDerWaalsContact C-N 3.29Å; A595-T597 PolarHBondContact O-N 3.16Å; T597-N599 VanDerWaalsContact C-N 3.34Å
598	S	49.8	Very low	47.4	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	73%	0.732	S	S	*	*	S	Bend	trans	-84.5	-3.1	-179.9	-166.2	0	0	0	0	114.6	A595	A595-S598 PolarHBondContact O-N 3.05Å
599	N	48.2	Very low	47.1	Very low	154 Å²	154	139.1 Å²	139.1	82%	0.824	74%	0.744	S	S	*	*	S	Bend	trans	-114.5	27.6	-163.4	-149.6	54.2	0	0	0	114	T597	T597-N599 VanDerWaalsContact C-N 3.34Å
600	N	47	Very low	46.8	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	76%	0.758	S	S	*	*			trans	-148.3	78.5	-179.7	-148.1	16	0	0	0	112.3
601	N	47	Very low	46.5	Very low	149 Å²	149	140.3 Å²	140.3	80%	0.797	76%	0.761	S	S	*	*	S	Bend	trans	-159.2	100.3	158.5	-109.2	-19.1	0	0	0	109.2
602	N	43.2	Very low	46.4	Very low	134 Å²	134	146.7 Å²	146.7	72%	0.717	78%	0.782	S	S	*	*			trans	34.8	109.9	144.6	-54.1	-4.1	0	0	0	116.1
603	N	46.9	Very low	46.2	Very low	163 Å²	163	145.5 Å²	145.5	87%	0.872	79%	0.787	S	S	*	*			cis	40.6	75	44.3	-91.8	28.5	0	0	0	111.5
604	N	45.2	Very low	46	Very low	144 Å²	144	143.2 Å²	143.2	77%	0.77	79%	0.789	S	S	*	*			trans	-147.7	83.4	148.2	-159.4	-12.6	0	0	0	110
605	S	40.3	Very low	45.8	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	79%	0.789	S	S	*	*			trans	-137.4	78.6	160.4	60.7	0	0	0	0	104.9
606	N	31.5	Very low	45.4	Very low	215 Å²	215	144.4 Å²	144.4	100%	1.15	81%	0.813	S	S	*	*			trans	69.4	0	-150.5	-54.3	-15	0	0	0	113.8

Retrieved 606 of 606 residues in 174 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).